USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 655 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 41 ASN : amide:sc= 0.364 X(o=0.78,f=0.53) USER MOD Set 1.2: A 67 THR OG1 : rot -120:sc= 0.414 USER MOD Set 2.1: A 58 LYS NZ :NH3+ 154:sc= 1.03 (180deg=0) USER MOD Set 2.2: A 62 SER OG : rot 87:sc= 2.09 USER MOD Set 3.1: A 53 GLN : amide:sc= 0.761 K(o=1.8,f=-0.36) USER MOD Set 3.2: A 56 GLN : amide:sc= 1.08 K(o=1.8,f=-0.17) USER MOD Set 4.1: A 48 CYS SG : rot -60:sc= 1.09 USER MOD Set 4.2: A 54 SER OG : rot 109:sc= 1.8 USER MOD Set 4.3: A 71 ASN : amide:sc= 1.1 K(o=4,f=-2.2!) USER MOD Set 5.1: A 12 GLN : amide:sc= -0.344 K(o=-0.21,f=-0.81) USER MOD Set 5.2: A 47 TYR OH : rot 15:sc= 0.138 USER MOD Set 6.1: A 13 TYR OH : rot 180:sc= 1.32 USER MOD Set 6.2: A 17 HIS : no HE2:sc= 0.773 K(o=2.1,f=-1.3!) USER MOD Single : A 3 HIS : no HD1:sc= -0.278 K(o=-0.28,f=-4.5!) USER MOD Single : A 14 GLN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 15 GLN : amide:sc= 1 K(o=1,f=0) USER MOD Single : A 19 GLN : amide:sc= -0.802 X(o=-0.8,f=-0.52) USER MOD Single : A 23 ASN : amide:sc= 1.84 K(o=1.8,f=-1.7) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -149:sc= 1.34 (180deg=0.966) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00316 USER MOD Single : A 40 LYS NZ :NH3+ -167:sc= 1.09 (180deg=0.973) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 175:sc= 1.22 (180deg=1.17) USER MOD Single : A 49 ASN : amide:sc= -0.0202 X(o=-0.02,f=-0.02) USER MOD Single : A 64 MET CE :methyl -166:sc= -0.0166 (180deg=-0.378) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 1.06 K(o=1.1,f=-3.3!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -174:sc= 0 (180deg=-0.0499) USER MOD Single : A 82 LYS NZ :NH3+ -170:sc= 1.91 (180deg=1.77) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N GLU A 2 0.238 2.214 -3.473 1.00 0.00 N ATOM 14 CA GLU A 2 0.714 3.166 -4.471 1.00 0.00 C ATOM 15 C GLU A 2 0.581 2.566 -5.874 1.00 0.00 C ATOM 16 O GLU A 2 0.589 1.340 -6.036 1.00 0.00 O ATOM 17 CB GLU A 2 2.198 3.543 -4.249 1.00 0.00 C ATOM 18 CG GLU A 2 2.656 3.900 -2.822 1.00 0.00 C ATOM 19 CD GLU A 2 2.998 2.672 -1.958 1.00 0.00 C ATOM 20 OE1 GLU A 2 4.025 2.003 -2.213 1.00 0.00 O ATOM 21 OE2 GLU A 2 2.262 2.392 -0.984 1.00 0.00 O ATOM 0 HA GLU A 2 0.102 4.063 -4.372 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.808 2.709 -4.595 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.425 4.392 -4.893 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.531 4.547 -2.882 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.870 4.472 -2.330 1.00 0.00 H new ATOM 28 N HIS A 3 0.557 3.440 -6.880 1.00 0.00 N ATOM 29 CA HIS A 3 0.663 3.139 -8.302 1.00 0.00 C ATOM 30 C HIS A 3 1.537 4.228 -8.925 1.00 0.00 C ATOM 31 O HIS A 3 1.680 5.314 -8.358 1.00 0.00 O ATOM 32 CB HIS A 3 -0.720 3.130 -8.982 1.00 0.00 C ATOM 33 CG HIS A 3 -1.563 1.920 -8.665 1.00 0.00 C ATOM 34 ND1 HIS A 3 -2.248 1.698 -7.497 1.00 0.00 N ATOM 35 CD2 HIS A 3 -1.811 0.850 -9.484 1.00 0.00 C ATOM 36 CE1 HIS A 3 -2.887 0.523 -7.596 1.00 0.00 C ATOM 37 NE2 HIS A 3 -2.654 -0.039 -8.798 1.00 0.00 N ATOM 0 H HIS A 3 0.456 4.441 -6.709 1.00 0.00 H new ATOM 0 HA HIS A 3 1.096 2.148 -8.440 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.264 4.025 -8.682 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -0.581 3.188 -10.062 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.425 0.714 -10.484 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -3.502 0.089 -6.821 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -3.016 -0.929 -9.140 1.00 0.00 H new ATOM 45 N TRP A 4 2.072 3.959 -10.116 1.00 0.00 N ATOM 46 CA TRP A 4 2.837 4.910 -10.908 1.00 0.00 C ATOM 47 C TRP A 4 2.088 5.094 -12.220 1.00 0.00 C ATOM 48 O TRP A 4 1.537 4.128 -12.748 1.00 0.00 O ATOM 49 CB TRP A 4 4.258 4.384 -11.156 1.00 0.00 C ATOM 50 CG TRP A 4 5.137 4.305 -9.942 1.00 0.00 C ATOM 51 CD1 TRP A 4 6.085 5.209 -9.604 1.00 0.00 C ATOM 52 CD2 TRP A 4 5.161 3.298 -8.880 1.00 0.00 C ATOM 53 NE1 TRP A 4 6.688 4.839 -8.421 1.00 0.00 N ATOM 54 CE2 TRP A 4 6.141 3.679 -7.914 1.00 0.00 C ATOM 55 CE3 TRP A 4 4.449 2.104 -8.627 1.00 0.00 C ATOM 56 CZ2 TRP A 4 6.381 2.933 -6.750 1.00 0.00 C ATOM 57 CZ3 TRP A 4 4.679 1.348 -7.462 1.00 0.00 C ATOM 58 CH2 TRP A 4 5.639 1.762 -6.521 1.00 0.00 C ATOM 0 H TRP A 4 1.980 3.048 -10.565 1.00 0.00 H new ATOM 0 HA TRP A 4 2.938 5.862 -10.387 1.00 0.00 H new ATOM 0 HB2 TRP A 4 4.187 3.390 -11.597 1.00 0.00 H new ATOM 0 HB3 TRP A 4 4.741 5.026 -11.892 1.00 0.00 H new ATOM 0 HD1 TRP A 4 6.333 6.091 -10.177 1.00 0.00 H new ATOM 0 HE1 TRP A 4 7.445 5.359 -7.976 1.00 0.00 H new ATOM 0 HE3 TRP A 4 3.714 1.765 -9.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 7.127 3.255 -6.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 4.114 0.444 -7.289 1.00 0.00 H new ATOM 0 HH2 TRP A 4 5.805 1.182 -5.625 1.00 0.00 H new ATOM 69 N ILE A 5 2.079 6.310 -12.759 1.00 0.00 N ATOM 70 CA ILE A 5 1.407 6.647 -14.004 1.00 0.00 C ATOM 71 C ILE A 5 2.352 7.578 -14.766 1.00 0.00 C ATOM 72 O ILE A 5 2.880 8.540 -14.201 1.00 0.00 O ATOM 73 CB ILE A 5 0.035 7.306 -13.711 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.946 6.437 -12.885 1.00 0.00 C ATOM 75 CG2 ILE A 5 -0.650 7.737 -15.016 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.471 5.180 -13.593 1.00 0.00 C ATOM 0 H ILE A 5 2.551 7.106 -12.329 1.00 0.00 H new ATOM 0 HA ILE A 5 1.193 5.764 -14.606 1.00 0.00 H new ATOM 0 HB ILE A 5 0.273 8.171 -13.091 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.448 6.133 -11.964 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.798 7.054 -12.598 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.611 8.197 -14.788 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.019 8.456 -15.538 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.807 6.864 -15.650 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.149 4.644 -12.928 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.004 5.469 -14.499 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.634 4.533 -13.855 1.00 0.00 H new ATOM 88 N ASP A 6 2.563 7.277 -16.045 1.00 0.00 N ATOM 89 CA ASP A 6 3.247 8.159 -16.979 1.00 0.00 C ATOM 90 C ASP A 6 2.188 9.064 -17.587 1.00 0.00 C ATOM 91 O ASP A 6 1.219 8.563 -18.155 1.00 0.00 O ATOM 92 CB ASP A 6 3.886 7.335 -18.098 1.00 0.00 C ATOM 93 CG ASP A 6 4.277 8.172 -19.325 1.00 0.00 C ATOM 94 OD1 ASP A 6 4.564 9.385 -19.215 1.00 0.00 O ATOM 95 OD2 ASP A 6 4.332 7.565 -20.418 1.00 0.00 O ATOM 0 H ASP A 6 2.258 6.399 -16.465 1.00 0.00 H new ATOM 0 HA ASP A 6 4.024 8.729 -16.471 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.774 6.836 -17.710 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.191 6.554 -18.407 1.00 0.00 H new ATOM 100 N VAL A 7 2.379 10.375 -17.496 1.00 0.00 N ATOM 101 CA VAL A 7 1.415 11.354 -18.010 1.00 0.00 C ATOM 102 C VAL A 7 1.942 12.188 -19.189 1.00 0.00 C ATOM 103 O VAL A 7 1.327 13.198 -19.532 1.00 0.00 O ATOM 104 CB VAL A 7 0.799 12.194 -16.868 1.00 0.00 C ATOM 105 CG1 VAL A 7 0.209 11.338 -15.735 1.00 0.00 C ATOM 106 CG2 VAL A 7 1.805 13.172 -16.254 1.00 0.00 C ATOM 0 H VAL A 7 3.203 10.794 -17.065 1.00 0.00 H new ATOM 0 HA VAL A 7 0.596 10.784 -18.449 1.00 0.00 H new ATOM 0 HB VAL A 7 -0.008 12.748 -17.347 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.207 11.989 -14.966 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.579 10.699 -16.134 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.994 10.719 -15.301 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.323 13.738 -15.457 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.649 12.617 -15.845 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.160 13.859 -17.022 1.00 0.00 H new ATOM 116 N ARG A 8 3.048 11.813 -19.843 1.00 0.00 N ATOM 117 CA ARG A 8 3.466 12.480 -21.085 1.00 0.00 C ATOM 118 C ARG A 8 2.879 11.744 -22.287 1.00 0.00 C ATOM 119 O ARG A 8 2.018 10.874 -22.146 1.00 0.00 O ATOM 120 CB ARG A 8 5.004 12.579 -21.187 1.00 0.00 C ATOM 121 CG ARG A 8 5.426 14.013 -21.561 1.00 0.00 C ATOM 122 CD ARG A 8 6.919 14.087 -21.889 1.00 0.00 C ATOM 123 NE ARG A 8 7.338 15.466 -22.205 1.00 0.00 N ATOM 124 CZ ARG A 8 8.311 15.831 -23.055 1.00 0.00 C ATOM 125 NH1 ARG A 8 9.006 14.920 -23.734 1.00 0.00 N ATOM 126 NH2 ARG A 8 8.592 17.120 -23.216 1.00 0.00 N ATOM 0 H ARG A 8 3.665 11.060 -19.538 1.00 0.00 H new ATOM 0 HA ARG A 8 3.083 13.500 -21.075 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.457 12.296 -20.237 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.371 11.878 -21.936 1.00 0.00 H new ATOM 0 HG2 ARG A 8 4.846 14.353 -22.419 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.199 14.688 -20.736 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.497 13.715 -21.043 1.00 0.00 H new ATOM 0 HD3 ARG A 8 7.139 13.436 -22.735 1.00 0.00 H new ATOM 0 HE ARG A 8 6.838 16.218 -21.730 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.802 13.928 -23.612 1.00 0.00 H new ATOM 0 HH12 ARG A 8 9.742 15.214 -24.376 1.00 0.00 H new ATOM 0 HH21 ARG A 8 8.070 17.825 -22.695 1.00 0.00 H new ATOM 0 HH22 ARG A 8 9.330 17.405 -23.860 1.00 0.00 H new ATOM 140 N VAL A 9 3.352 12.099 -23.481 1.00 0.00 N ATOM 141 CA VAL A 9 3.100 11.337 -24.693 1.00 0.00 C ATOM 142 C VAL A 9 3.611 9.897 -24.514 1.00 0.00 C ATOM 143 O VAL A 9 4.625 9.695 -23.837 1.00 0.00 O ATOM 144 CB VAL A 9 3.797 12.015 -25.890 1.00 0.00 C ATOM 145 CG1 VAL A 9 3.021 13.266 -26.328 1.00 0.00 C ATOM 146 CG2 VAL A 9 5.268 12.398 -25.634 1.00 0.00 C ATOM 0 H VAL A 9 3.924 12.930 -23.630 1.00 0.00 H new ATOM 0 HA VAL A 9 2.028 11.306 -24.888 1.00 0.00 H new ATOM 0 HB VAL A 9 3.800 11.265 -26.681 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.528 13.731 -27.174 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.010 12.983 -26.622 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.974 13.973 -25.500 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.682 12.869 -26.526 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.322 13.095 -24.797 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.841 11.502 -25.397 1.00 0.00 H new ATOM 156 N PRO A 10 3.000 8.899 -25.178 1.00 0.00 N ATOM 157 CA PRO A 10 3.482 7.523 -25.133 1.00 0.00 C ATOM 158 C PRO A 10 4.877 7.368 -25.741 1.00 0.00 C ATOM 159 O PRO A 10 5.566 6.397 -25.443 1.00 0.00 O ATOM 160 CB PRO A 10 2.442 6.692 -25.887 1.00 0.00 C ATOM 161 CG PRO A 10 1.747 7.698 -26.802 1.00 0.00 C ATOM 162 CD PRO A 10 1.805 8.998 -26.005 1.00 0.00 C ATOM 0 HA PRO A 10 3.592 7.188 -24.101 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.911 5.892 -26.459 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.736 6.223 -25.202 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.259 7.791 -27.760 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.720 7.403 -27.017 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.858 9.862 -26.668 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.913 9.121 -25.391 1.00 0.00 H new ATOM 170 N GLU A 11 5.341 8.312 -26.563 1.00 0.00 N ATOM 171 CA GLU A 11 6.672 8.243 -27.136 1.00 0.00 C ATOM 172 C GLU A 11 7.767 8.274 -26.061 1.00 0.00 C ATOM 173 O GLU A 11 8.841 7.717 -26.292 1.00 0.00 O ATOM 174 CB GLU A 11 6.831 9.358 -28.181 1.00 0.00 C ATOM 175 CG GLU A 11 7.813 8.973 -29.293 1.00 0.00 C ATOM 176 CD GLU A 11 7.228 7.932 -30.271 1.00 0.00 C ATOM 177 OE1 GLU A 11 7.159 6.730 -29.926 1.00 0.00 O ATOM 178 OE2 GLU A 11 6.841 8.313 -31.401 1.00 0.00 O ATOM 0 H GLU A 11 4.806 9.134 -26.843 1.00 0.00 H new ATOM 0 HA GLU A 11 6.794 7.283 -27.638 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.859 9.584 -28.619 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.179 10.267 -27.690 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.096 9.868 -29.848 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.723 8.574 -28.846 1.00 0.00 H new ATOM 185 N GLN A 12 7.510 8.842 -24.870 1.00 0.00 N ATOM 186 CA GLN A 12 8.465 8.745 -23.765 1.00 0.00 C ATOM 187 C GLN A 12 8.538 7.297 -23.263 1.00 0.00 C ATOM 188 O GLN A 12 9.630 6.777 -23.036 1.00 0.00 O ATOM 189 CB GLN A 12 8.158 9.780 -22.662 1.00 0.00 C ATOM 190 CG GLN A 12 7.130 9.389 -21.583 1.00 0.00 C ATOM 191 CD GLN A 12 7.733 8.611 -20.402 1.00 0.00 C ATOM 192 OE1 GLN A 12 8.747 9.008 -19.837 1.00 0.00 O ATOM 193 NE2 GLN A 12 7.124 7.511 -19.991 1.00 0.00 N ATOM 0 H GLN A 12 6.661 9.364 -24.655 1.00 0.00 H new ATOM 0 HA GLN A 12 9.463 9.002 -24.121 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.095 10.025 -22.161 1.00 0.00 H new ATOM 0 HB3 GLN A 12 7.807 10.692 -23.145 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.653 10.293 -21.204 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.348 8.785 -22.042 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.281 7.187 -20.466 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.497 6.987 -19.199 1.00 0.00 H new ATOM 202 N TYR A 13 7.381 6.631 -23.168 1.00 0.00 N ATOM 203 CA TYR A 13 7.225 5.262 -22.705 1.00 0.00 C ATOM 204 C TYR A 13 8.021 4.306 -23.598 1.00 0.00 C ATOM 205 O TYR A 13 8.642 3.372 -23.091 1.00 0.00 O ATOM 206 CB TYR A 13 5.720 4.923 -22.683 1.00 0.00 C ATOM 207 CG TYR A 13 5.282 3.770 -21.803 1.00 0.00 C ATOM 208 CD1 TYR A 13 5.219 2.465 -22.328 1.00 0.00 C ATOM 209 CD2 TYR A 13 4.849 4.016 -20.485 1.00 0.00 C ATOM 210 CE1 TYR A 13 4.728 1.409 -21.540 1.00 0.00 C ATOM 211 CE2 TYR A 13 4.374 2.962 -19.685 1.00 0.00 C ATOM 212 CZ TYR A 13 4.310 1.649 -20.211 1.00 0.00 C ATOM 213 OH TYR A 13 3.843 0.614 -19.458 1.00 0.00 O ATOM 0 H TYR A 13 6.492 7.059 -23.426 1.00 0.00 H new ATOM 0 HA TYR A 13 7.621 5.151 -21.696 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.178 5.814 -22.367 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.408 4.706 -23.704 1.00 0.00 H new ATOM 0 HD1 TYR A 13 5.549 2.275 -23.339 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.882 5.020 -20.087 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.670 0.412 -21.951 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.058 3.154 -18.670 1.00 0.00 H new ATOM 0 HH TYR A 13 3.597 0.942 -18.568 1.00 0.00 H new ATOM 223 N GLN A 14 8.060 4.568 -24.914 1.00 0.00 N ATOM 224 CA GLN A 14 8.887 3.812 -25.849 1.00 0.00 C ATOM 225 C GLN A 14 10.367 3.845 -25.445 1.00 0.00 C ATOM 226 O GLN A 14 11.016 2.799 -25.509 1.00 0.00 O ATOM 227 CB GLN A 14 8.725 4.323 -27.295 1.00 0.00 C ATOM 228 CG GLN A 14 7.661 3.574 -28.111 1.00 0.00 C ATOM 229 CD GLN A 14 6.228 3.928 -27.718 1.00 0.00 C ATOM 230 OE1 GLN A 14 5.605 3.255 -26.901 1.00 0.00 O ATOM 231 NE2 GLN A 14 5.670 4.968 -28.314 1.00 0.00 N ATOM 0 H GLN A 14 7.517 5.311 -25.353 1.00 0.00 H new ATOM 0 HA GLN A 14 8.540 2.780 -25.809 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.467 5.382 -27.268 1.00 0.00 H new ATOM 0 HB3 GLN A 14 9.684 4.241 -27.807 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.804 3.795 -29.169 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.808 2.501 -27.987 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.203 5.515 -28.990 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.706 5.223 -28.098 1.00 0.00 H new ATOM 240 N GLN A 15 10.902 5.008 -25.044 1.00 0.00 N ATOM 241 CA GLN A 15 12.332 5.147 -24.767 1.00 0.00 C ATOM 242 C GLN A 15 12.676 4.297 -23.546 1.00 0.00 C ATOM 243 O GLN A 15 13.485 3.376 -23.645 1.00 0.00 O ATOM 244 CB GLN A 15 12.757 6.616 -24.554 1.00 0.00 C ATOM 245 CG GLN A 15 12.196 7.624 -25.567 1.00 0.00 C ATOM 246 CD GLN A 15 12.325 7.182 -27.027 1.00 0.00 C ATOM 247 OE1 GLN A 15 13.414 6.890 -27.517 1.00 0.00 O ATOM 248 NE2 GLN A 15 11.219 7.117 -27.751 1.00 0.00 N ATOM 0 H GLN A 15 10.363 5.863 -24.906 1.00 0.00 H new ATOM 0 HA GLN A 15 12.887 4.798 -25.638 1.00 0.00 H new ATOM 0 HB2 GLN A 15 12.449 6.923 -23.555 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.845 6.668 -24.582 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.144 7.800 -25.344 1.00 0.00 H new ATOM 0 HG3 GLN A 15 12.712 8.576 -25.440 1.00 0.00 H new ATOM 0 HE21 GLN A 15 10.321 7.362 -27.334 1.00 0.00 H new ATOM 0 HE22 GLN A 15 11.265 6.822 -28.726 1.00 0.00 H new ATOM 257 N GLU A 16 12.016 4.575 -22.422 1.00 0.00 N ATOM 258 CA GLU A 16 11.985 3.752 -21.225 1.00 0.00 C ATOM 259 C GLU A 16 10.865 4.290 -20.339 1.00 0.00 C ATOM 260 O GLU A 16 10.552 5.483 -20.371 1.00 0.00 O ATOM 261 CB GLU A 16 13.339 3.675 -20.483 1.00 0.00 C ATOM 262 CG GLU A 16 13.827 4.992 -19.860 1.00 0.00 C ATOM 263 CD GLU A 16 15.359 5.019 -19.706 1.00 0.00 C ATOM 264 OE1 GLU A 16 15.907 4.297 -18.844 1.00 0.00 O ATOM 265 OE2 GLU A 16 16.033 5.778 -20.440 1.00 0.00 O ATOM 0 H GLU A 16 11.462 5.425 -22.322 1.00 0.00 H new ATOM 0 HA GLU A 16 11.791 2.717 -21.507 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.259 2.928 -19.694 1.00 0.00 H new ATOM 0 HB3 GLU A 16 14.097 3.321 -21.182 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.510 5.828 -20.483 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.361 5.127 -18.884 1.00 0.00 H new ATOM 272 N HIS A 17 10.273 3.415 -19.537 1.00 0.00 N ATOM 273 CA HIS A 17 9.198 3.741 -18.621 1.00 0.00 C ATOM 274 C HIS A 17 9.458 3.006 -17.317 1.00 0.00 C ATOM 275 O HIS A 17 10.093 1.949 -17.317 1.00 0.00 O ATOM 276 CB HIS A 17 7.853 3.322 -19.231 1.00 0.00 C ATOM 277 CG HIS A 17 7.672 1.831 -19.404 1.00 0.00 C ATOM 278 ND1 HIS A 17 7.186 0.954 -18.459 1.00 0.00 N ATOM 279 CD2 HIS A 17 7.941 1.097 -20.529 1.00 0.00 C ATOM 280 CE1 HIS A 17 7.158 -0.272 -19.005 1.00 0.00 C ATOM 281 NE2 HIS A 17 7.606 -0.240 -20.273 1.00 0.00 N ATOM 0 H HIS A 17 10.538 2.431 -19.508 1.00 0.00 H new ATOM 0 HA HIS A 17 9.158 4.814 -18.434 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.050 3.700 -18.599 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.746 3.802 -20.204 1.00 0.00 H new ATOM 0 HD1 HIS A 17 6.898 1.194 -17.510 1.00 0.00 H new ATOM 0 HD2 HIS A 17 8.342 1.482 -21.455 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.822 -1.163 -18.496 1.00 0.00 H new ATOM 289 N VAL A 18 8.948 3.549 -16.213 1.00 0.00 N ATOM 290 CA VAL A 18 8.938 2.878 -14.919 1.00 0.00 C ATOM 291 C VAL A 18 8.260 1.522 -15.109 1.00 0.00 C ATOM 292 O VAL A 18 7.150 1.455 -15.649 1.00 0.00 O ATOM 293 CB VAL A 18 8.204 3.765 -13.895 1.00 0.00 C ATOM 294 CG1 VAL A 18 8.075 3.093 -12.520 1.00 0.00 C ATOM 295 CG2 VAL A 18 8.926 5.106 -13.719 1.00 0.00 C ATOM 0 H VAL A 18 8.526 4.477 -16.194 1.00 0.00 H new ATOM 0 HA VAL A 18 9.945 2.714 -14.536 1.00 0.00 H new ATOM 0 HB VAL A 18 7.203 3.926 -14.296 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.550 3.761 -11.837 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.515 2.163 -12.621 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.068 2.877 -12.126 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.390 5.715 -12.992 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.942 4.929 -13.365 1.00 0.00 H new ATOM 0 HG23 VAL A 18 8.961 5.629 -14.675 1.00 0.00 H new ATOM 305 N GLN A 19 8.921 0.441 -14.692 1.00 0.00 N ATOM 306 CA GLN A 19 8.373 -0.900 -14.775 1.00 0.00 C ATOM 307 C GLN A 19 7.234 -0.975 -13.748 1.00 0.00 C ATOM 308 O GLN A 19 7.476 -1.164 -12.555 1.00 0.00 O ATOM 309 CB GLN A 19 9.483 -1.949 -14.560 1.00 0.00 C ATOM 310 CG GLN A 19 9.108 -3.347 -15.084 1.00 0.00 C ATOM 311 CD GLN A 19 7.959 -4.005 -14.314 1.00 0.00 C ATOM 312 OE1 GLN A 19 8.167 -4.667 -13.300 1.00 0.00 O ATOM 313 NE2 GLN A 19 6.724 -3.834 -14.765 1.00 0.00 N ATOM 0 H GLN A 19 9.856 0.479 -14.286 1.00 0.00 H new ATOM 0 HA GLN A 19 7.967 -1.123 -15.762 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.392 -1.613 -15.059 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.709 -2.016 -13.496 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.831 -3.269 -16.135 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.985 -3.992 -15.032 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.560 -3.283 -15.608 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.937 -4.254 -14.269 1.00 0.00 H new ATOM 322 N GLY A 20 6.000 -0.771 -14.214 1.00 0.00 N ATOM 323 CA GLY A 20 4.792 -0.768 -13.398 1.00 0.00 C ATOM 324 C GLY A 20 3.884 0.413 -13.740 1.00 0.00 C ATOM 325 O GLY A 20 2.695 0.371 -13.418 1.00 0.00 O ATOM 0 H GLY A 20 5.812 -0.598 -15.202 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.249 -1.701 -13.548 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.065 -0.724 -12.344 1.00 0.00 H new ATOM 329 N ALA A 21 4.419 1.453 -14.394 1.00 0.00 N ATOM 330 CA ALA A 21 3.604 2.564 -14.876 1.00 0.00 C ATOM 331 C ALA A 21 2.906 2.180 -16.171 1.00 0.00 C ATOM 332 O ALA A 21 3.324 1.264 -16.884 1.00 0.00 O ATOM 333 CB ALA A 21 4.434 3.842 -15.076 1.00 0.00 C ATOM 0 H ALA A 21 5.414 1.543 -14.599 1.00 0.00 H new ATOM 0 HA ALA A 21 2.855 2.777 -14.113 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.788 4.643 -15.435 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.883 4.136 -14.128 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.220 3.655 -15.807 1.00 0.00 H new ATOM 339 N ILE A 22 1.883 2.958 -16.501 1.00 0.00 N ATOM 340 CA ILE A 22 1.116 2.875 -17.729 1.00 0.00 C ATOM 341 C ILE A 22 0.930 4.308 -18.233 1.00 0.00 C ATOM 342 O ILE A 22 0.882 5.248 -17.432 1.00 0.00 O ATOM 343 CB ILE A 22 -0.215 2.126 -17.482 1.00 0.00 C ATOM 344 CG1 ILE A 22 -1.044 2.711 -16.313 1.00 0.00 C ATOM 345 CG2 ILE A 22 0.062 0.624 -17.274 1.00 0.00 C ATOM 346 CD1 ILE A 22 -2.439 2.090 -16.172 1.00 0.00 C ATOM 0 H ILE A 22 1.552 3.701 -15.885 1.00 0.00 H new ATOM 0 HA ILE A 22 1.630 2.297 -18.497 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.829 2.263 -18.372 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.496 2.565 -15.382 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.148 3.787 -16.456 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.879 0.101 -17.100 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.545 0.217 -18.162 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.716 0.491 -16.412 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.959 2.551 -15.332 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.007 2.259 -17.087 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.344 1.018 -15.996 1.00 0.00 H new ATOM 358 N ASN A 23 0.889 4.476 -19.556 1.00 0.00 N ATOM 359 CA ASN A 23 0.791 5.787 -20.186 1.00 0.00 C ATOM 360 C ASN A 23 -0.663 6.256 -20.169 1.00 0.00 C ATOM 361 O ASN A 23 -1.521 5.632 -20.794 1.00 0.00 O ATOM 362 CB ASN A 23 1.340 5.740 -21.618 1.00 0.00 C ATOM 363 CG ASN A 23 1.182 7.108 -22.265 1.00 0.00 C ATOM 364 OD1 ASN A 23 0.285 7.323 -23.071 1.00 0.00 O ATOM 365 ND2 ASN A 23 2.022 8.058 -21.899 1.00 0.00 N ATOM 0 H ASN A 23 0.923 3.702 -20.220 1.00 0.00 H new ATOM 0 HA ASN A 23 1.394 6.501 -19.625 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.391 5.450 -21.607 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.807 4.987 -22.199 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.932 8.996 -22.289 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.761 7.854 -21.226 1.00 0.00 H new ATOM 372 N ILE A 24 -0.926 7.355 -19.464 1.00 0.00 N ATOM 373 CA ILE A 24 -2.223 8.003 -19.307 1.00 0.00 C ATOM 374 C ILE A 24 -1.947 9.515 -19.452 1.00 0.00 C ATOM 375 O ILE A 24 -1.735 10.192 -18.445 1.00 0.00 O ATOM 376 CB ILE A 24 -2.860 7.649 -17.936 1.00 0.00 C ATOM 377 CG1 ILE A 24 -2.942 6.143 -17.590 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.255 8.282 -17.851 1.00 0.00 C ATOM 379 CD1 ILE A 24 -3.948 5.323 -18.406 1.00 0.00 C ATOM 0 H ILE A 24 -0.191 7.846 -18.956 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.943 7.667 -20.053 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.179 8.060 -17.191 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.953 5.705 -17.723 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.195 6.046 -16.534 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.708 8.037 -16.890 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.170 9.364 -17.947 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.880 7.895 -18.656 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.920 4.284 -18.079 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.951 5.724 -18.256 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.689 5.378 -19.463 1.00 0.00 H new ATOM 391 N PRO A 25 -1.839 10.046 -20.684 1.00 0.00 N ATOM 392 CA PRO A 25 -1.373 11.405 -20.937 1.00 0.00 C ATOM 393 C PRO A 25 -2.134 12.481 -20.159 1.00 0.00 C ATOM 394 O PRO A 25 -3.336 12.366 -19.915 1.00 0.00 O ATOM 395 CB PRO A 25 -1.498 11.617 -22.449 1.00 0.00 C ATOM 396 CG PRO A 25 -1.327 10.202 -22.989 1.00 0.00 C ATOM 397 CD PRO A 25 -2.070 9.368 -21.948 1.00 0.00 C ATOM 0 HA PRO A 25 -0.346 11.508 -20.588 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.464 12.043 -22.722 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.733 12.293 -22.830 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.759 10.091 -23.984 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.277 9.919 -23.064 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.134 9.311 -22.176 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.694 8.345 -21.921 1.00 0.00 H new ATOM 405 N LEU A 26 -1.433 13.576 -19.856 1.00 0.00 N ATOM 406 CA LEU A 26 -1.921 14.756 -19.143 1.00 0.00 C ATOM 407 C LEU A 26 -3.260 15.245 -19.697 1.00 0.00 C ATOM 408 O LEU A 26 -4.162 15.566 -18.926 1.00 0.00 O ATOM 409 CB LEU A 26 -0.814 15.831 -19.226 1.00 0.00 C ATOM 410 CG LEU A 26 -1.073 17.217 -18.598 1.00 0.00 C ATOM 411 CD1 LEU A 26 -1.977 18.143 -19.421 1.00 0.00 C ATOM 412 CD2 LEU A 26 -1.589 17.106 -17.164 1.00 0.00 C ATOM 0 H LEU A 26 -0.451 13.667 -20.118 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.123 14.515 -18.099 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.081 15.419 -18.759 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.582 15.985 -20.280 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.092 17.691 -18.591 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.099 19.091 -18.898 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.523 18.322 -20.396 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.952 17.674 -19.555 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.758 18.104 -16.760 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.525 16.548 -17.156 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.852 16.587 -16.551 1.00 0.00 H new ATOM 424 N LYS A 27 -3.417 15.250 -21.025 1.00 0.00 N ATOM 425 CA LYS A 27 -4.633 15.727 -21.683 1.00 0.00 C ATOM 426 C LYS A 27 -5.875 14.896 -21.328 1.00 0.00 C ATOM 427 O LYS A 27 -6.989 15.350 -21.587 1.00 0.00 O ATOM 428 CB LYS A 27 -4.437 15.752 -23.210 1.00 0.00 C ATOM 429 CG LYS A 27 -3.323 16.714 -23.651 1.00 0.00 C ATOM 430 CD LYS A 27 -3.223 16.777 -25.181 1.00 0.00 C ATOM 431 CE LYS A 27 -2.108 17.746 -25.598 1.00 0.00 C ATOM 432 NZ LYS A 27 -1.976 17.851 -27.073 1.00 0.00 N ATOM 0 H LYS A 27 -2.701 14.922 -21.673 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.811 16.737 -21.314 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.201 14.746 -23.558 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.373 16.043 -23.687 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.520 17.710 -23.255 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.370 16.388 -23.234 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.020 15.784 -25.581 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.174 17.102 -25.602 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.313 18.733 -25.183 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.161 17.412 -25.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.211 18.516 -27.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.754 16.915 -27.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.870 18.195 -27.478 1.00 0.00 H new ATOM 446 N GLU A 28 -5.711 13.696 -20.764 1.00 0.00 N ATOM 447 CA GLU A 28 -6.780 12.720 -20.572 1.00 0.00 C ATOM 448 C GLU A 28 -6.830 12.197 -19.132 1.00 0.00 C ATOM 449 O GLU A 28 -7.823 11.575 -18.748 1.00 0.00 O ATOM 450 CB GLU A 28 -6.566 11.542 -21.534 1.00 0.00 C ATOM 451 CG GLU A 28 -6.406 11.930 -23.013 1.00 0.00 C ATOM 452 CD GLU A 28 -6.335 10.688 -23.919 1.00 0.00 C ATOM 453 OE1 GLU A 28 -5.623 9.718 -23.574 1.00 0.00 O ATOM 454 OE2 GLU A 28 -6.986 10.680 -24.990 1.00 0.00 O ATOM 0 H GLU A 28 -4.807 13.371 -20.421 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.728 13.217 -20.777 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.678 10.993 -21.220 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.411 10.860 -21.443 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.244 12.557 -23.318 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.501 12.525 -23.138 1.00 0.00 H new ATOM 461 N VAL A 29 -5.790 12.445 -18.322 1.00 0.00 N ATOM 462 CA VAL A 29 -5.643 11.925 -16.968 1.00 0.00 C ATOM 463 C VAL A 29 -6.882 12.212 -16.112 1.00 0.00 C ATOM 464 O VAL A 29 -7.274 11.356 -15.325 1.00 0.00 O ATOM 465 CB VAL A 29 -4.309 12.440 -16.363 1.00 0.00 C ATOM 466 CG1 VAL A 29 -4.373 13.887 -15.847 1.00 0.00 C ATOM 467 CG2 VAL A 29 -3.812 11.518 -15.243 1.00 0.00 C ATOM 0 H VAL A 29 -5.007 13.033 -18.607 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.581 10.837 -16.992 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.602 12.430 -17.192 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.403 14.171 -15.440 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.632 14.555 -16.668 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.130 13.962 -15.066 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.876 11.906 -14.840 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.558 11.474 -14.450 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.648 10.517 -15.642 1.00 0.00 H new ATOM 477 N LYS A 30 -7.542 13.363 -16.310 1.00 0.00 N ATOM 478 CA LYS A 30 -8.714 13.771 -15.536 1.00 0.00 C ATOM 479 C LYS A 30 -9.837 12.736 -15.598 1.00 0.00 C ATOM 480 O LYS A 30 -10.548 12.556 -14.613 1.00 0.00 O ATOM 481 CB LYS A 30 -9.211 15.143 -16.027 1.00 0.00 C ATOM 482 CG LYS A 30 -10.092 15.826 -14.968 1.00 0.00 C ATOM 483 CD LYS A 30 -10.406 17.280 -15.341 1.00 0.00 C ATOM 484 CE LYS A 30 -10.968 18.015 -14.117 1.00 0.00 C ATOM 485 NZ LYS A 30 -11.227 19.449 -14.389 1.00 0.00 N ATOM 0 H LYS A 30 -7.270 14.041 -17.021 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.413 13.847 -14.491 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.358 15.780 -16.260 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.777 15.019 -16.950 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.023 15.270 -14.856 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.587 15.799 -14.003 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.503 17.778 -15.694 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.127 17.309 -16.158 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -11.894 17.535 -13.802 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.265 17.926 -13.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -11.091 19.998 -13.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.568 19.789 -15.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.205 19.568 -14.723 1.00 0.00 H new ATOM 499 N GLU A 31 -9.999 12.054 -16.733 1.00 0.00 N ATOM 500 CA GLU A 31 -11.054 11.064 -16.913 1.00 0.00 C ATOM 501 C GLU A 31 -10.460 9.664 -16.783 1.00 0.00 C ATOM 502 O GLU A 31 -10.991 8.830 -16.047 1.00 0.00 O ATOM 503 CB GLU A 31 -11.725 11.256 -18.284 1.00 0.00 C ATOM 504 CG GLU A 31 -12.489 12.585 -18.375 1.00 0.00 C ATOM 505 CD GLU A 31 -13.223 12.723 -19.721 1.00 0.00 C ATOM 506 OE1 GLU A 31 -14.396 12.296 -19.828 1.00 0.00 O ATOM 507 OE2 GLU A 31 -12.647 13.278 -20.684 1.00 0.00 O ATOM 0 H GLU A 31 -9.401 12.175 -17.551 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.816 11.192 -16.144 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.966 11.221 -19.066 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.412 10.430 -18.469 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -13.209 12.649 -17.559 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.793 13.415 -18.252 1.00 0.00 H new ATOM 514 N ARG A 32 -9.332 9.403 -17.454 1.00 0.00 N ATOM 515 CA ARG A 32 -8.750 8.063 -17.528 1.00 0.00 C ATOM 516 C ARG A 32 -8.266 7.556 -16.172 1.00 0.00 C ATOM 517 O ARG A 32 -8.167 6.340 -15.994 1.00 0.00 O ATOM 518 CB ARG A 32 -7.605 8.042 -18.547 1.00 0.00 C ATOM 519 CG ARG A 32 -8.082 8.198 -20.001 1.00 0.00 C ATOM 520 CD ARG A 32 -6.917 8.112 -20.999 1.00 0.00 C ATOM 521 NE ARG A 32 -6.356 6.751 -21.097 1.00 0.00 N ATOM 522 CZ ARG A 32 -5.369 6.368 -21.919 1.00 0.00 C ATOM 523 NH1 ARG A 32 -4.801 7.224 -22.764 1.00 0.00 N ATOM 524 NH2 ARG A 32 -4.946 5.107 -21.892 1.00 0.00 N ATOM 0 H ARG A 32 -8.801 10.113 -17.958 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.540 7.386 -17.853 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.905 8.844 -18.313 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.058 7.104 -18.450 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.813 7.422 -20.228 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.588 9.156 -20.116 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.261 8.431 -21.983 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.131 8.804 -20.696 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.754 6.039 -20.485 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.115 8.194 -22.795 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.051 6.910 -23.381 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.372 4.440 -21.249 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.195 4.807 -22.514 1.00 0.00 H new ATOM 538 N ILE A 33 -7.982 8.432 -15.200 1.00 0.00 N ATOM 539 CA ILE A 33 -7.580 7.981 -13.874 1.00 0.00 C ATOM 540 C ILE A 33 -8.647 7.070 -13.248 1.00 0.00 C ATOM 541 O ILE A 33 -8.288 6.111 -12.565 1.00 0.00 O ATOM 542 CB ILE A 33 -7.193 9.171 -12.966 1.00 0.00 C ATOM 543 CG1 ILE A 33 -6.533 8.693 -11.654 1.00 0.00 C ATOM 544 CG2 ILE A 33 -8.392 10.092 -12.657 1.00 0.00 C ATOM 545 CD1 ILE A 33 -5.201 7.962 -11.851 1.00 0.00 C ATOM 0 H ILE A 33 -8.024 9.445 -15.310 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.681 7.374 -13.980 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.465 9.756 -13.527 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.369 9.555 -11.008 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.224 8.031 -11.133 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.066 10.911 -12.016 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.790 10.496 -13.588 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.168 9.520 -12.148 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.805 7.660 -10.881 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.359 7.079 -12.470 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.490 8.627 -12.342 1.00 0.00 H new ATOM 557 N ALA A 34 -9.935 7.303 -13.540 1.00 0.00 N ATOM 558 CA ALA A 34 -11.040 6.532 -12.981 1.00 0.00 C ATOM 559 C ALA A 34 -10.983 5.045 -13.360 1.00 0.00 C ATOM 560 O ALA A 34 -11.612 4.229 -12.687 1.00 0.00 O ATOM 561 CB ALA A 34 -12.372 7.146 -13.425 1.00 0.00 C ATOM 0 H ALA A 34 -10.235 8.040 -14.178 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.952 6.578 -11.896 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.196 6.569 -13.006 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.434 8.175 -13.072 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.435 7.131 -14.513 1.00 0.00 H new ATOM 567 N THR A 35 -10.233 4.683 -14.404 1.00 0.00 N ATOM 568 CA THR A 35 -10.028 3.310 -14.839 1.00 0.00 C ATOM 569 C THR A 35 -8.577 2.865 -14.594 1.00 0.00 C ATOM 570 O THR A 35 -8.344 1.681 -14.346 1.00 0.00 O ATOM 571 CB THR A 35 -10.452 3.192 -16.318 1.00 0.00 C ATOM 572 OG1 THR A 35 -10.121 4.348 -17.076 1.00 0.00 O ATOM 573 CG2 THR A 35 -11.971 3.014 -16.431 1.00 0.00 C ATOM 0 H THR A 35 -9.739 5.362 -14.983 1.00 0.00 H new ATOM 0 HA THR A 35 -10.648 2.632 -14.252 1.00 0.00 H new ATOM 0 HB THR A 35 -9.913 2.329 -16.710 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.408 4.223 -18.005 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.251 2.933 -17.481 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.271 2.108 -15.904 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.472 3.874 -15.988 1.00 0.00 H new ATOM 581 N ALA A 36 -7.606 3.789 -14.612 1.00 0.00 N ATOM 582 CA ALA A 36 -6.205 3.474 -14.347 1.00 0.00 C ATOM 583 C ALA A 36 -5.975 3.127 -12.870 1.00 0.00 C ATOM 584 O ALA A 36 -5.283 2.152 -12.578 1.00 0.00 O ATOM 585 CB ALA A 36 -5.327 4.656 -14.765 1.00 0.00 C ATOM 0 H ALA A 36 -7.775 4.775 -14.811 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.933 2.596 -14.933 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.281 4.420 -14.567 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.460 4.850 -15.829 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.613 5.541 -14.197 1.00 0.00 H new ATOM 591 N VAL A 37 -6.565 3.896 -11.946 1.00 0.00 N ATOM 592 CA VAL A 37 -6.474 3.691 -10.499 1.00 0.00 C ATOM 593 C VAL A 37 -7.856 4.023 -9.898 1.00 0.00 C ATOM 594 O VAL A 37 -8.052 5.123 -9.378 1.00 0.00 O ATOM 595 CB VAL A 37 -5.310 4.482 -9.865 1.00 0.00 C ATOM 596 CG1 VAL A 37 -5.054 3.997 -8.429 1.00 0.00 C ATOM 597 CG2 VAL A 37 -3.978 4.404 -10.632 1.00 0.00 C ATOM 0 H VAL A 37 -7.137 4.703 -12.195 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.230 2.653 -10.274 1.00 0.00 H new ATOM 0 HB VAL A 37 -5.639 5.521 -9.895 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.230 4.564 -7.995 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.952 4.145 -7.829 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.798 2.938 -8.443 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.222 4.991 -10.109 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.653 3.365 -10.692 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.114 4.801 -11.638 1.00 0.00 H new ATOM 607 N PRO A 38 -8.851 3.120 -10.022 1.00 0.00 N ATOM 608 CA PRO A 38 -10.227 3.386 -9.606 1.00 0.00 C ATOM 609 C PRO A 38 -10.373 3.822 -8.140 1.00 0.00 C ATOM 610 O PRO A 38 -11.234 4.649 -7.832 1.00 0.00 O ATOM 611 CB PRO A 38 -11.001 2.090 -9.872 1.00 0.00 C ATOM 612 CG PRO A 38 -10.191 1.393 -10.961 1.00 0.00 C ATOM 613 CD PRO A 38 -8.757 1.805 -10.642 1.00 0.00 C ATOM 0 HA PRO A 38 -10.616 4.233 -10.171 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.073 1.477 -8.974 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.020 2.294 -10.201 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.317 0.311 -10.927 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.492 1.717 -11.957 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.285 1.089 -9.970 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.150 1.842 -11.547 1.00 0.00 H new ATOM 621 N ASP A 39 -9.560 3.271 -7.231 1.00 0.00 N ATOM 622 CA ASP A 39 -9.552 3.662 -5.822 1.00 0.00 C ATOM 623 C ASP A 39 -8.801 4.984 -5.664 1.00 0.00 C ATOM 624 O ASP A 39 -7.569 5.003 -5.609 1.00 0.00 O ATOM 625 CB ASP A 39 -8.920 2.577 -4.938 1.00 0.00 C ATOM 626 CG ASP A 39 -8.779 3.031 -3.470 1.00 0.00 C ATOM 627 OD1 ASP A 39 -9.419 4.027 -3.060 1.00 0.00 O ATOM 628 OD2 ASP A 39 -8.043 2.361 -2.711 1.00 0.00 O ATOM 0 H ASP A 39 -8.887 2.538 -7.456 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.584 3.787 -5.495 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.530 1.675 -4.981 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.938 2.316 -5.332 1.00 0.00 H new ATOM 633 N LYS A 40 -9.532 6.100 -5.582 1.00 0.00 N ATOM 634 CA LYS A 40 -8.921 7.424 -5.486 1.00 0.00 C ATOM 635 C LYS A 40 -8.161 7.685 -4.181 1.00 0.00 C ATOM 636 O LYS A 40 -7.526 8.734 -4.062 1.00 0.00 O ATOM 637 CB LYS A 40 -9.944 8.526 -5.809 1.00 0.00 C ATOM 638 CG LYS A 40 -11.049 8.746 -4.762 1.00 0.00 C ATOM 639 CD LYS A 40 -11.804 10.064 -5.008 1.00 0.00 C ATOM 640 CE LYS A 40 -12.509 10.108 -6.374 1.00 0.00 C ATOM 641 NZ LYS A 40 -13.154 11.420 -6.633 1.00 0.00 N ATOM 0 H LYS A 40 -10.552 6.110 -5.580 1.00 0.00 H new ATOM 0 HA LYS A 40 -8.143 7.449 -6.249 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.407 9.465 -5.944 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.416 8.288 -6.762 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.751 7.912 -4.791 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.610 8.758 -3.765 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.543 10.205 -4.219 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.103 10.896 -4.940 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.784 9.900 -7.161 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.262 9.321 -6.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.794 11.337 -7.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.697 11.711 -5.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.424 12.132 -6.837 1.00 0.00 H new ATOM 655 N ASN A 41 -8.220 6.779 -3.200 1.00 0.00 N ATOM 656 CA ASN A 41 -7.440 6.905 -1.973 1.00 0.00 C ATOM 657 C ASN A 41 -6.028 6.331 -2.131 1.00 0.00 C ATOM 658 O ASN A 41 -5.168 6.596 -1.291 1.00 0.00 O ATOM 659 CB ASN A 41 -8.178 6.221 -0.816 1.00 0.00 C ATOM 660 CG ASN A 41 -7.553 6.550 0.534 1.00 0.00 C ATOM 661 OD1 ASN A 41 -7.013 5.685 1.217 1.00 0.00 O ATOM 662 ND2 ASN A 41 -7.637 7.800 0.959 1.00 0.00 N ATOM 0 H ASN A 41 -8.806 5.945 -3.237 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.330 7.967 -1.751 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.222 6.533 -0.818 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.167 5.142 -0.967 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.250 8.057 1.867 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.089 8.507 0.379 1.00 0.00 H new ATOM 669 N ASP A 42 -5.772 5.548 -3.183 1.00 0.00 N ATOM 670 CA ASP A 42 -4.449 5.005 -3.494 1.00 0.00 C ATOM 671 C ASP A 42 -3.480 6.136 -3.869 1.00 0.00 C ATOM 672 O ASP A 42 -3.909 7.159 -4.406 1.00 0.00 O ATOM 673 CB ASP A 42 -4.586 4.020 -4.655 1.00 0.00 C ATOM 674 CG ASP A 42 -3.280 3.276 -4.934 1.00 0.00 C ATOM 675 OD1 ASP A 42 -2.418 3.808 -5.662 1.00 0.00 O ATOM 676 OD2 ASP A 42 -3.138 2.121 -4.485 1.00 0.00 O ATOM 0 H ASP A 42 -6.490 5.270 -3.852 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.048 4.493 -2.619 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.372 3.300 -4.428 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.895 4.557 -5.551 1.00 0.00 H new ATOM 681 N THR A 43 -2.187 5.967 -3.585 1.00 0.00 N ATOM 682 CA THR A 43 -1.156 6.966 -3.851 1.00 0.00 C ATOM 683 C THR A 43 -0.782 6.957 -5.339 1.00 0.00 C ATOM 684 O THR A 43 0.054 6.159 -5.773 1.00 0.00 O ATOM 685 CB THR A 43 0.069 6.732 -2.949 1.00 0.00 C ATOM 686 OG1 THR A 43 -0.323 6.455 -1.617 1.00 0.00 O ATOM 687 CG2 THR A 43 1.020 7.934 -2.947 1.00 0.00 C ATOM 0 H THR A 43 -1.823 5.116 -3.156 1.00 0.00 H new ATOM 0 HA THR A 43 -1.548 7.955 -3.614 1.00 0.00 H new ATOM 0 HB THR A 43 0.595 5.871 -3.363 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.474 6.309 -1.065 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.870 7.724 -2.297 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.375 8.119 -3.961 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.492 8.815 -2.581 1.00 0.00 H new ATOM 695 N VAL A 44 -1.378 7.853 -6.124 1.00 0.00 N ATOM 696 CA VAL A 44 -1.076 7.992 -7.543 1.00 0.00 C ATOM 697 C VAL A 44 0.209 8.815 -7.689 1.00 0.00 C ATOM 698 O VAL A 44 0.180 10.048 -7.695 1.00 0.00 O ATOM 699 CB VAL A 44 -2.276 8.598 -8.306 1.00 0.00 C ATOM 700 CG1 VAL A 44 -2.045 8.504 -9.821 1.00 0.00 C ATOM 701 CG2 VAL A 44 -3.601 7.885 -7.987 1.00 0.00 C ATOM 0 H VAL A 44 -2.087 8.505 -5.789 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.906 7.015 -7.994 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.350 9.636 -7.982 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.898 8.934 -10.346 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.141 9.052 -10.086 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.932 7.458 -10.108 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.410 8.351 -8.550 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.525 6.834 -8.265 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.809 7.964 -6.920 1.00 0.00 H new ATOM 711 N LYS A 45 1.360 8.148 -7.776 1.00 0.00 N ATOM 712 CA LYS A 45 2.592 8.818 -8.169 1.00 0.00 C ATOM 713 C LYS A 45 2.472 9.084 -9.667 1.00 0.00 C ATOM 714 O LYS A 45 2.174 8.167 -10.436 1.00 0.00 O ATOM 715 CB LYS A 45 3.815 7.947 -7.842 1.00 0.00 C ATOM 716 CG LYS A 45 4.024 7.813 -6.323 1.00 0.00 C ATOM 717 CD LYS A 45 5.110 6.778 -6.004 1.00 0.00 C ATOM 718 CE LYS A 45 5.380 6.667 -4.496 1.00 0.00 C ATOM 719 NZ LYS A 45 6.272 7.739 -3.983 1.00 0.00 N ATOM 0 H LYS A 45 1.461 7.152 -7.581 1.00 0.00 H new ATOM 0 HA LYS A 45 2.733 9.751 -7.623 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.686 6.958 -8.281 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.705 8.383 -8.295 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.305 8.780 -5.905 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.087 7.520 -5.848 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.807 5.805 -6.390 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.032 7.051 -6.517 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.432 6.704 -3.960 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.829 5.697 -4.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.349 7.661 -2.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.216 7.639 -4.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 5.877 8.668 -4.232 1.00 0.00 H new ATOM 733 N VAL A 46 2.722 10.314 -10.093 1.00 0.00 N ATOM 734 CA VAL A 46 2.759 10.692 -11.499 1.00 0.00 C ATOM 735 C VAL A 46 4.187 11.121 -11.829 1.00 0.00 C ATOM 736 O VAL A 46 4.856 11.758 -11.009 1.00 0.00 O ATOM 737 CB VAL A 46 1.693 11.767 -11.827 1.00 0.00 C ATOM 738 CG1 VAL A 46 0.285 11.161 -11.848 1.00 0.00 C ATOM 739 CG2 VAL A 46 1.657 12.964 -10.863 1.00 0.00 C ATOM 0 H VAL A 46 2.908 11.092 -9.460 1.00 0.00 H new ATOM 0 HA VAL A 46 2.497 9.846 -12.135 1.00 0.00 H new ATOM 0 HB VAL A 46 1.994 12.136 -12.807 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.442 11.939 -12.081 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.236 10.380 -12.607 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.059 10.733 -10.871 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.879 13.660 -11.176 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.444 12.612 -9.854 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.623 13.470 -10.874 1.00 0.00 H new ATOM 749 N TYR A 47 4.648 10.794 -13.035 1.00 0.00 N ATOM 750 CA TYR A 47 5.897 11.286 -13.594 1.00 0.00 C ATOM 751 C TYR A 47 5.689 11.540 -15.089 1.00 0.00 C ATOM 752 O TYR A 47 4.690 11.118 -15.682 1.00 0.00 O ATOM 753 CB TYR A 47 7.056 10.300 -13.346 1.00 0.00 C ATOM 754 CG TYR A 47 7.121 9.152 -14.338 1.00 0.00 C ATOM 755 CD1 TYR A 47 6.278 8.036 -14.190 1.00 0.00 C ATOM 756 CD2 TYR A 47 7.970 9.241 -15.458 1.00 0.00 C ATOM 757 CE1 TYR A 47 6.292 7.013 -15.153 1.00 0.00 C ATOM 758 CE2 TYR A 47 7.977 8.226 -16.428 1.00 0.00 C ATOM 759 CZ TYR A 47 7.149 7.098 -16.274 1.00 0.00 C ATOM 760 OH TYR A 47 7.183 6.104 -17.210 1.00 0.00 O ATOM 0 H TYR A 47 4.148 10.164 -13.662 1.00 0.00 H new ATOM 0 HA TYR A 47 6.176 12.217 -13.100 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.998 10.848 -13.380 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.961 9.891 -12.340 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.620 7.965 -13.336 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.620 10.096 -15.572 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.644 6.157 -15.036 1.00 0.00 H new ATOM 0 HE2 TYR A 47 8.618 8.311 -17.293 1.00 0.00 H new ATOM 0 HH TYR A 47 6.402 5.523 -17.099 1.00 0.00 H new ATOM 770 N CYS A 48 6.655 12.220 -15.696 1.00 0.00 N ATOM 771 CA CYS A 48 6.792 12.379 -17.133 1.00 0.00 C ATOM 772 C CYS A 48 8.283 12.599 -17.415 1.00 0.00 C ATOM 773 O CYS A 48 9.087 12.680 -16.482 1.00 0.00 O ATOM 774 CB CYS A 48 5.907 13.545 -17.606 1.00 0.00 C ATOM 775 SG CYS A 48 6.337 15.080 -16.750 1.00 0.00 S ATOM 0 H CYS A 48 7.393 12.694 -15.176 1.00 0.00 H new ATOM 0 HA CYS A 48 6.456 11.501 -17.685 1.00 0.00 H new ATOM 0 HB2 CYS A 48 6.023 13.680 -18.681 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.859 13.306 -17.426 1.00 0.00 H new ATOM 0 HG CYS A 48 6.164 14.927 -15.471 1.00 0.00 H new ATOM 781 N ASN A 49 8.667 12.738 -18.684 1.00 0.00 N ATOM 782 CA ASN A 49 10.070 12.919 -19.071 1.00 0.00 C ATOM 783 C ASN A 49 10.720 14.179 -18.469 1.00 0.00 C ATOM 784 O ASN A 49 11.941 14.204 -18.316 1.00 0.00 O ATOM 785 CB ASN A 49 10.190 12.966 -20.603 1.00 0.00 C ATOM 786 CG ASN A 49 11.654 12.951 -21.046 1.00 0.00 C ATOM 787 OD1 ASN A 49 12.395 12.020 -20.746 1.00 0.00 O ATOM 788 ND2 ASN A 49 12.101 13.963 -21.773 1.00 0.00 N ATOM 0 H ASN A 49 8.019 12.729 -19.471 1.00 0.00 H new ATOM 0 HA ASN A 49 10.609 12.062 -18.667 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.668 12.114 -21.037 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.703 13.865 -20.981 1.00 0.00 H new ATOM 0 HD21 ASN A 49 13.070 13.974 -22.090 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.476 14.731 -22.016 1.00 0.00 H new ATOM 795 N ALA A 50 9.933 15.214 -18.131 1.00 0.00 N ATOM 796 CA ALA A 50 10.448 16.540 -17.768 1.00 0.00 C ATOM 797 C ALA A 50 9.840 17.122 -16.477 1.00 0.00 C ATOM 798 O ALA A 50 10.095 18.283 -16.156 1.00 0.00 O ATOM 799 CB ALA A 50 10.227 17.483 -18.960 1.00 0.00 C ATOM 0 H ALA A 50 8.915 15.151 -18.103 1.00 0.00 H new ATOM 0 HA ALA A 50 11.510 16.434 -17.546 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.603 18.476 -18.713 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.759 17.100 -19.831 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.162 17.543 -19.184 1.00 0.00 H new ATOM 805 N GLY A 51 9.016 16.366 -15.746 1.00 0.00 N ATOM 806 CA GLY A 51 8.436 16.758 -14.460 1.00 0.00 C ATOM 807 C GLY A 51 7.243 17.708 -14.565 1.00 0.00 C ATOM 808 O GLY A 51 6.360 17.671 -13.707 1.00 0.00 O ATOM 0 H GLY A 51 8.725 15.435 -16.043 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.123 15.860 -13.928 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.210 17.232 -13.856 1.00 0.00 H new ATOM 812 N ARG A 52 7.186 18.550 -15.603 1.00 0.00 N ATOM 813 CA ARG A 52 6.134 19.549 -15.775 1.00 0.00 C ATOM 814 C ARG A 52 4.761 18.901 -15.873 1.00 0.00 C ATOM 815 O ARG A 52 3.849 19.309 -15.158 1.00 0.00 O ATOM 816 CB ARG A 52 6.437 20.426 -17.004 1.00 0.00 C ATOM 817 CG ARG A 52 5.298 21.418 -17.299 1.00 0.00 C ATOM 818 CD ARG A 52 5.694 22.401 -18.405 1.00 0.00 C ATOM 819 NE ARG A 52 4.562 23.266 -18.785 1.00 0.00 N ATOM 820 CZ ARG A 52 4.175 24.393 -18.170 1.00 0.00 C ATOM 821 NH1 ARG A 52 4.833 24.851 -17.107 1.00 0.00 N ATOM 822 NH2 ARG A 52 3.120 25.061 -18.626 1.00 0.00 N ATOM 0 H ARG A 52 7.877 18.554 -16.353 1.00 0.00 H new ATOM 0 HA ARG A 52 6.117 20.189 -14.893 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.363 20.976 -16.837 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.597 19.789 -17.874 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.404 20.871 -17.598 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.047 21.968 -16.392 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.527 23.017 -18.066 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.041 21.848 -19.278 1.00 0.00 H new ATOM 0 HE ARG A 52 4.018 22.978 -19.598 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.643 24.343 -16.751 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.527 25.710 -16.649 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.610 24.716 -19.439 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.820 25.919 -18.163 1.00 0.00 H new ATOM 836 N GLN A 53 4.591 17.919 -16.760 1.00 0.00 N ATOM 837 CA GLN A 53 3.268 17.367 -17.036 1.00 0.00 C ATOM 838 C GLN A 53 2.744 16.582 -15.835 1.00 0.00 C ATOM 839 O GLN A 53 1.548 16.638 -15.564 1.00 0.00 O ATOM 840 CB GLN A 53 3.273 16.523 -18.323 1.00 0.00 C ATOM 841 CG GLN A 53 3.654 17.314 -19.588 1.00 0.00 C ATOM 842 CD GLN A 53 2.654 18.425 -19.917 1.00 0.00 C ATOM 843 OE1 GLN A 53 2.638 19.476 -19.281 1.00 0.00 O ATOM 844 NE2 GLN A 53 1.788 18.222 -20.897 1.00 0.00 N ATOM 0 H GLN A 53 5.348 17.494 -17.295 1.00 0.00 H new ATOM 0 HA GLN A 53 2.581 18.196 -17.205 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.972 15.695 -18.200 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.284 16.087 -18.463 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.644 17.750 -19.454 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.720 16.629 -20.433 1.00 0.00 H new ATOM 0 HE21 GLN A 53 1.807 17.347 -21.421 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.102 18.940 -21.128 1.00 0.00 H new ATOM 853 N SER A 54 3.607 15.910 -15.071 1.00 0.00 N ATOM 854 CA SER A 54 3.209 15.297 -13.813 1.00 0.00 C ATOM 855 C SER A 54 2.870 16.360 -12.770 1.00 0.00 C ATOM 856 O SER A 54 1.914 16.176 -12.022 1.00 0.00 O ATOM 857 CB SER A 54 4.272 14.299 -13.360 1.00 0.00 C ATOM 858 OG SER A 54 5.590 14.705 -13.688 1.00 0.00 O ATOM 0 H SER A 54 4.590 15.779 -15.308 1.00 0.00 H new ATOM 0 HA SER A 54 2.290 14.727 -13.954 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.198 14.163 -12.281 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.072 13.330 -13.818 1.00 0.00 H new ATOM 0 HG SER A 54 6.066 14.963 -12.871 1.00 0.00 H new ATOM 864 N GLY A 55 3.568 17.498 -12.769 1.00 0.00 N ATOM 865 CA GLY A 55 3.210 18.669 -11.982 1.00 0.00 C ATOM 866 C GLY A 55 1.779 19.117 -12.280 1.00 0.00 C ATOM 867 O GLY A 55 0.967 19.244 -11.363 1.00 0.00 O ATOM 0 H GLY A 55 4.412 17.629 -13.327 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.309 18.442 -10.921 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.902 19.483 -12.200 1.00 0.00 H new ATOM 871 N GLN A 56 1.441 19.284 -13.564 1.00 0.00 N ATOM 872 CA GLN A 56 0.098 19.675 -13.984 1.00 0.00 C ATOM 873 C GLN A 56 -0.928 18.610 -13.590 1.00 0.00 C ATOM 874 O GLN A 56 -1.972 18.939 -13.024 1.00 0.00 O ATOM 875 CB GLN A 56 0.040 19.901 -15.500 1.00 0.00 C ATOM 876 CG GLN A 56 0.989 20.991 -16.017 1.00 0.00 C ATOM 877 CD GLN A 56 0.398 21.751 -17.207 1.00 0.00 C ATOM 878 OE1 GLN A 56 -0.450 22.625 -17.041 1.00 0.00 O ATOM 879 NE2 GLN A 56 0.812 21.452 -18.428 1.00 0.00 N ATOM 0 H GLN A 56 2.093 19.151 -14.337 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.144 20.609 -13.477 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.275 18.963 -16.004 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.981 20.164 -15.777 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.208 21.692 -15.212 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.936 20.538 -16.311 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.516 20.726 -18.564 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.427 21.947 -19.233 1.00 0.00 H new ATOM 888 N ALA A 57 -0.627 17.332 -13.849 1.00 0.00 N ATOM 889 CA ALA A 57 -1.516 16.228 -13.508 1.00 0.00 C ATOM 890 C ALA A 57 -1.799 16.211 -12.011 1.00 0.00 C ATOM 891 O ALA A 57 -2.912 15.893 -11.608 1.00 0.00 O ATOM 892 CB ALA A 57 -0.925 14.885 -13.952 1.00 0.00 C ATOM 0 H ALA A 57 0.240 17.040 -14.300 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.455 16.379 -14.040 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.610 14.080 -13.685 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.777 14.892 -15.032 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.032 14.727 -13.456 1.00 0.00 H new ATOM 898 N LYS A 58 -0.825 16.591 -11.183 1.00 0.00 N ATOM 899 CA LYS A 58 -1.001 16.603 -9.733 1.00 0.00 C ATOM 900 C LYS A 58 -2.146 17.545 -9.364 1.00 0.00 C ATOM 901 O LYS A 58 -2.971 17.198 -8.520 1.00 0.00 O ATOM 902 CB LYS A 58 0.322 16.983 -9.034 1.00 0.00 C ATOM 903 CG LYS A 58 0.630 16.155 -7.775 1.00 0.00 C ATOM 904 CD LYS A 58 -0.404 16.221 -6.642 1.00 0.00 C ATOM 905 CE LYS A 58 -0.668 17.661 -6.208 1.00 0.00 C ATOM 906 NZ LYS A 58 -1.364 17.756 -4.901 1.00 0.00 N ATOM 0 H LYS A 58 0.097 16.895 -11.495 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.267 15.605 -9.385 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.142 16.864 -9.743 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.286 18.038 -8.762 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.745 15.113 -8.072 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.592 16.481 -7.379 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.336 15.763 -6.972 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.048 15.642 -5.789 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.280 18.196 -6.148 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.268 18.160 -6.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.137 18.666 -4.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.391 17.690 -5.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.052 16.979 -4.284 1.00 0.00 H new ATOM 920 N GLU A 59 -2.226 18.719 -9.992 1.00 0.00 N ATOM 921 CA GLU A 59 -3.284 19.684 -9.713 1.00 0.00 C ATOM 922 C GLU A 59 -4.634 19.149 -10.202 1.00 0.00 C ATOM 923 O GLU A 59 -5.619 19.223 -9.467 1.00 0.00 O ATOM 924 CB GLU A 59 -2.967 21.041 -10.363 1.00 0.00 C ATOM 925 CG GLU A 59 -1.698 21.684 -9.785 1.00 0.00 C ATOM 926 CD GLU A 59 -1.471 23.096 -10.353 1.00 0.00 C ATOM 927 OE1 GLU A 59 -0.824 23.239 -11.415 1.00 0.00 O ATOM 928 OE2 GLU A 59 -1.923 24.086 -9.732 1.00 0.00 O ATOM 0 H GLU A 59 -1.562 19.024 -10.704 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.342 19.832 -8.635 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.846 20.907 -11.438 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.811 21.716 -10.219 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.778 21.736 -8.699 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.836 21.057 -10.011 1.00 0.00 H new ATOM 935 N ILE A 60 -4.679 18.556 -11.402 1.00 0.00 N ATOM 936 CA ILE A 60 -5.894 17.957 -11.963 1.00 0.00 C ATOM 937 C ILE A 60 -6.429 16.895 -10.995 1.00 0.00 C ATOM 938 O ILE A 60 -7.611 16.884 -10.656 1.00 0.00 O ATOM 939 CB ILE A 60 -5.591 17.359 -13.362 1.00 0.00 C ATOM 940 CG1 ILE A 60 -5.222 18.467 -14.374 1.00 0.00 C ATOM 941 CG2 ILE A 60 -6.775 16.539 -13.904 1.00 0.00 C ATOM 942 CD1 ILE A 60 -4.785 17.924 -15.741 1.00 0.00 C ATOM 0 H ILE A 60 -3.867 18.479 -12.014 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.663 18.719 -12.091 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.739 16.690 -13.238 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.081 19.125 -14.510 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.418 19.075 -13.959 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.521 16.138 -14.885 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.991 15.717 -13.221 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.652 17.180 -13.990 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.541 18.756 -16.402 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.907 17.290 -15.617 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.596 17.340 -16.177 1.00 0.00 H new ATOM 954 N LEU A 61 -5.555 16.001 -10.539 1.00 0.00 N ATOM 955 CA LEU A 61 -5.917 14.882 -9.683 1.00 0.00 C ATOM 956 C LEU A 61 -6.348 15.360 -8.296 1.00 0.00 C ATOM 957 O LEU A 61 -7.219 14.744 -7.678 1.00 0.00 O ATOM 958 CB LEU A 61 -4.724 13.917 -9.613 1.00 0.00 C ATOM 959 CG LEU A 61 -4.466 13.160 -10.941 1.00 0.00 C ATOM 960 CD1 LEU A 61 -3.267 12.219 -10.798 1.00 0.00 C ATOM 961 CD2 LEU A 61 -5.682 12.362 -11.428 1.00 0.00 C ATOM 0 H LEU A 61 -4.560 16.037 -10.759 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.776 14.358 -10.103 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.829 14.477 -9.343 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.899 13.192 -8.818 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.258 13.925 -11.689 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.101 11.696 -11.740 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.379 12.797 -10.542 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.466 11.493 -10.010 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.435 11.856 -12.361 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.957 11.622 -10.676 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.520 13.040 -11.593 1.00 0.00 H new ATOM 973 N SER A 62 -5.794 16.478 -7.823 1.00 0.00 N ATOM 974 CA SER A 62 -6.226 17.099 -6.580 1.00 0.00 C ATOM 975 C SER A 62 -7.625 17.707 -6.736 1.00 0.00 C ATOM 976 O SER A 62 -8.439 17.584 -5.823 1.00 0.00 O ATOM 977 CB SER A 62 -5.205 18.149 -6.138 1.00 0.00 C ATOM 978 OG SER A 62 -3.922 17.554 -6.050 1.00 0.00 O ATOM 0 H SER A 62 -5.036 16.973 -8.293 1.00 0.00 H new ATOM 0 HA SER A 62 -6.286 16.336 -5.804 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.186 18.975 -6.849 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.491 18.566 -5.172 1.00 0.00 H new ATOM 0 HG SER A 62 -3.484 17.591 -6.926 1.00 0.00 H new ATOM 984 N GLU A 63 -7.951 18.297 -7.894 1.00 0.00 N ATOM 985 CA GLU A 63 -9.301 18.788 -8.174 1.00 0.00 C ATOM 986 C GLU A 63 -10.289 17.611 -8.246 1.00 0.00 C ATOM 987 O GLU A 63 -11.410 17.710 -7.743 1.00 0.00 O ATOM 988 CB GLU A 63 -9.301 19.625 -9.466 1.00 0.00 C ATOM 989 CG GLU A 63 -10.632 20.365 -9.662 1.00 0.00 C ATOM 990 CD GLU A 63 -10.621 21.244 -10.923 1.00 0.00 C ATOM 991 OE1 GLU A 63 -10.146 22.402 -10.865 1.00 0.00 O ATOM 992 OE2 GLU A 63 -11.116 20.790 -11.980 1.00 0.00 O ATOM 0 H GLU A 63 -7.289 18.445 -8.656 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.628 19.438 -7.363 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.485 20.347 -9.432 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -9.117 18.975 -10.321 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.443 19.640 -9.732 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.834 20.986 -8.789 1.00 0.00 H new ATOM 999 N MET A 64 -9.852 16.470 -8.793 1.00 0.00 N ATOM 1000 CA MET A 64 -10.597 15.208 -8.779 1.00 0.00 C ATOM 1001 C MET A 64 -10.689 14.587 -7.371 1.00 0.00 C ATOM 1002 O MET A 64 -11.355 13.563 -7.197 1.00 0.00 O ATOM 1003 CB MET A 64 -9.964 14.218 -9.773 1.00 0.00 C ATOM 1004 CG MET A 64 -10.136 14.633 -11.240 1.00 0.00 C ATOM 1005 SD MET A 64 -11.843 14.633 -11.861 1.00 0.00 S ATOM 1006 CE MET A 64 -12.230 12.861 -11.754 1.00 0.00 C ATOM 0 H MET A 64 -8.952 16.398 -9.267 1.00 0.00 H new ATOM 0 HA MET A 64 -11.620 15.428 -9.086 1.00 0.00 H new ATOM 0 HB2 MET A 64 -8.901 14.123 -9.552 1.00 0.00 H new ATOM 0 HB3 MET A 64 -10.409 13.234 -9.627 1.00 0.00 H new ATOM 0 HG2 MET A 64 -9.722 15.633 -11.367 1.00 0.00 H new ATOM 0 HG3 MET A 64 -9.543 13.962 -11.861 1.00 0.00 H new ATOM 0 HE1 MET A 64 -13.137 12.652 -12.322 1.00 0.00 H new ATOM 0 HE2 MET A 64 -11.403 12.282 -12.165 1.00 0.00 H new ATOM 0 HE3 MET A 64 -12.383 12.584 -10.711 1.00 0.00 H new ATOM 1016 N GLY A 65 -10.049 15.179 -6.358 1.00 0.00 N ATOM 1017 CA GLY A 65 -10.196 14.789 -4.962 1.00 0.00 C ATOM 1018 C GLY A 65 -9.454 13.502 -4.607 1.00 0.00 C ATOM 1019 O GLY A 65 -9.802 12.869 -3.609 1.00 0.00 O ATOM 0 H GLY A 65 -9.403 15.957 -6.493 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.831 15.596 -4.327 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.255 14.662 -4.738 1.00 0.00 H new ATOM 1023 N TYR A 66 -8.466 13.083 -5.407 1.00 0.00 N ATOM 1024 CA TYR A 66 -7.638 11.924 -5.085 1.00 0.00 C ATOM 1025 C TYR A 66 -6.851 12.256 -3.815 1.00 0.00 C ATOM 1026 O TYR A 66 -6.165 13.279 -3.763 1.00 0.00 O ATOM 1027 CB TYR A 66 -6.733 11.555 -6.273 1.00 0.00 C ATOM 1028 CG TYR A 66 -7.439 10.753 -7.356 1.00 0.00 C ATOM 1029 CD1 TYR A 66 -8.549 11.289 -8.041 1.00 0.00 C ATOM 1030 CD2 TYR A 66 -7.043 9.427 -7.616 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -9.308 10.486 -8.911 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -7.786 8.623 -8.499 1.00 0.00 C ATOM 1033 CZ TYR A 66 -8.945 9.137 -9.121 1.00 0.00 C ATOM 1034 OH TYR A 66 -9.725 8.322 -9.887 1.00 0.00 O ATOM 0 H TYR A 66 -8.223 13.536 -6.288 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.251 11.042 -4.899 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -6.335 12.470 -6.712 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -5.882 10.981 -5.905 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -8.818 12.325 -7.896 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -6.164 9.025 -7.135 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -10.167 10.900 -9.418 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -7.470 7.611 -8.702 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.325 7.428 -9.926 1.00 0.00 H new ATOM 1044 N THR A 67 -6.983 11.429 -2.774 1.00 0.00 N ATOM 1045 CA THR A 67 -6.486 11.740 -1.443 1.00 0.00 C ATOM 1046 C THR A 67 -4.954 11.794 -1.390 1.00 0.00 C ATOM 1047 O THR A 67 -4.396 12.541 -0.584 1.00 0.00 O ATOM 1048 CB THR A 67 -7.019 10.698 -0.441 1.00 0.00 C ATOM 1049 OG1 THR A 67 -8.229 10.079 -0.860 1.00 0.00 O ATOM 1050 CG2 THR A 67 -7.280 11.329 0.922 1.00 0.00 C ATOM 0 H THR A 67 -7.442 10.520 -2.838 1.00 0.00 H new ATOM 0 HA THR A 67 -6.847 12.733 -1.176 1.00 0.00 H new ATOM 0 HB THR A 67 -6.237 9.941 -0.382 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.931 10.253 -0.199 1.00 0.00 H new ATOM 0 HG21 THR A 67 -7.655 10.570 1.608 1.00 0.00 H new ATOM 0 HG22 THR A 67 -6.352 11.746 1.314 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.019 12.123 0.820 1.00 0.00 H new ATOM 1058 N HIS A 68 -4.273 11.020 -2.242 1.00 0.00 N ATOM 1059 CA HIS A 68 -2.833 10.828 -2.196 1.00 0.00 C ATOM 1060 C HIS A 68 -2.322 10.844 -3.634 1.00 0.00 C ATOM 1061 O HIS A 68 -2.630 9.954 -4.426 1.00 0.00 O ATOM 1062 CB HIS A 68 -2.511 9.504 -1.480 1.00 0.00 C ATOM 1063 CG HIS A 68 -3.023 9.413 -0.062 1.00 0.00 C ATOM 1064 ND1 HIS A 68 -3.912 8.477 0.417 1.00 0.00 N ATOM 1065 CD2 HIS A 68 -2.684 10.221 0.990 1.00 0.00 C ATOM 1066 CE1 HIS A 68 -4.102 8.712 1.725 1.00 0.00 C ATOM 1067 NE2 HIS A 68 -3.375 9.773 2.126 1.00 0.00 N ATOM 0 H HIS A 68 -4.724 10.502 -2.996 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.339 11.621 -1.634 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.933 8.682 -2.058 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.430 9.365 -1.471 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -4.350 7.734 -0.127 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -2.003 11.058 0.952 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -4.748 8.131 2.367 1.00 0.00 H new ATOM 1075 N VAL A 69 -1.566 11.879 -3.990 1.00 0.00 N ATOM 1076 CA VAL A 69 -1.006 12.074 -5.321 1.00 0.00 C ATOM 1077 C VAL A 69 0.338 12.769 -5.112 1.00 0.00 C ATOM 1078 O VAL A 69 0.495 13.528 -4.150 1.00 0.00 O ATOM 1079 CB VAL A 69 -1.951 12.935 -6.194 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -1.533 12.916 -7.672 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -3.432 12.533 -6.142 1.00 0.00 C ATOM 0 H VAL A 69 -1.320 12.626 -3.340 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.882 11.127 -5.846 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.853 13.929 -5.758 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.220 13.532 -8.252 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.522 13.311 -7.769 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.560 11.892 -8.045 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.011 13.195 -6.786 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.542 11.504 -6.486 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.795 12.614 -5.118 1.00 0.00 H new ATOM 1091 N GLU A 70 1.305 12.530 -5.996 1.00 0.00 N ATOM 1092 CA GLU A 70 2.641 13.087 -5.868 1.00 0.00 C ATOM 1093 C GLU A 70 3.272 13.195 -7.255 1.00 0.00 C ATOM 1094 O GLU A 70 3.287 12.212 -7.998 1.00 0.00 O ATOM 1095 CB GLU A 70 3.447 12.140 -4.958 1.00 0.00 C ATOM 1096 CG GLU A 70 4.907 12.566 -4.781 1.00 0.00 C ATOM 1097 CD GLU A 70 5.636 11.655 -3.780 1.00 0.00 C ATOM 1098 OE1 GLU A 70 5.804 10.447 -4.066 1.00 0.00 O ATOM 1099 OE2 GLU A 70 6.056 12.141 -2.704 1.00 0.00 O ATOM 0 H GLU A 70 1.179 11.943 -6.821 1.00 0.00 H new ATOM 0 HA GLU A 70 2.623 14.086 -5.431 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.968 12.093 -3.980 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.418 11.134 -5.376 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.417 12.534 -5.744 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.948 13.598 -4.433 1.00 0.00 H new ATOM 1106 N ASN A 71 3.790 14.377 -7.607 1.00 0.00 N ATOM 1107 CA ASN A 71 4.655 14.522 -8.774 1.00 0.00 C ATOM 1108 C ASN A 71 6.034 14.059 -8.331 1.00 0.00 C ATOM 1109 O ASN A 71 6.648 14.693 -7.468 1.00 0.00 O ATOM 1110 CB ASN A 71 4.725 15.972 -9.281 1.00 0.00 C ATOM 1111 CG ASN A 71 5.733 16.132 -10.424 1.00 0.00 C ATOM 1112 OD1 ASN A 71 6.186 15.167 -11.036 1.00 0.00 O ATOM 1113 ND2 ASN A 71 6.098 17.352 -10.765 1.00 0.00 N ATOM 0 H ASN A 71 3.623 15.245 -7.098 1.00 0.00 H new ATOM 0 HA ASN A 71 4.263 13.934 -9.604 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.738 16.285 -9.621 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.002 16.631 -8.458 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.754 17.492 -11.534 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.725 18.156 -10.260 1.00 0.00 H new ATOM 1120 N ALA A 72 6.506 12.949 -8.892 1.00 0.00 N ATOM 1121 CA ALA A 72 7.795 12.382 -8.536 1.00 0.00 C ATOM 1122 C ALA A 72 8.957 13.320 -8.898 1.00 0.00 C ATOM 1123 O ALA A 72 9.996 13.278 -8.240 1.00 0.00 O ATOM 1124 CB ALA A 72 7.944 11.035 -9.235 1.00 0.00 C ATOM 0 H ALA A 72 6.003 12.421 -9.605 1.00 0.00 H new ATOM 0 HA ALA A 72 7.834 12.247 -7.455 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.908 10.596 -8.977 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.144 10.368 -8.914 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.887 11.177 -10.314 1.00 0.00 H new ATOM 1130 N GLY A 73 8.798 14.164 -9.925 1.00 0.00 N ATOM 1131 CA GLY A 73 9.786 15.160 -10.335 1.00 0.00 C ATOM 1132 C GLY A 73 10.281 14.933 -11.759 1.00 0.00 C ATOM 1133 O GLY A 73 10.680 15.885 -12.428 1.00 0.00 O ATOM 0 H GLY A 73 7.959 14.171 -10.505 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.348 16.155 -10.259 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.633 15.132 -9.650 1.00 0.00 H new ATOM 1137 N GLY A 74 10.229 13.689 -12.234 1.00 0.00 N ATOM 1138 CA GLY A 74 10.504 13.312 -13.613 1.00 0.00 C ATOM 1139 C GLY A 74 11.003 11.874 -13.679 1.00 0.00 C ATOM 1140 O GLY A 74 11.368 11.297 -12.655 1.00 0.00 O ATOM 0 H GLY A 74 9.986 12.892 -11.646 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.600 13.418 -14.213 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.250 13.983 -14.039 1.00 0.00 H new ATOM 1144 N LEU A 75 11.062 11.296 -14.881 1.00 0.00 N ATOM 1145 CA LEU A 75 11.527 9.921 -15.113 1.00 0.00 C ATOM 1146 C LEU A 75 12.929 9.674 -14.535 1.00 0.00 C ATOM 1147 O LEU A 75 13.230 8.568 -14.079 1.00 0.00 O ATOM 1148 CB LEU A 75 11.516 9.646 -16.631 1.00 0.00 C ATOM 1149 CG LEU A 75 12.125 8.297 -17.075 1.00 0.00 C ATOM 1150 CD1 LEU A 75 11.411 7.066 -16.499 1.00 0.00 C ATOM 1151 CD2 LEU A 75 12.095 8.229 -18.603 1.00 0.00 C ATOM 0 H LEU A 75 10.784 11.776 -15.737 1.00 0.00 H new ATOM 0 HA LEU A 75 10.852 9.238 -14.597 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.485 9.690 -16.982 1.00 0.00 H new ATOM 0 HB3 LEU A 75 12.057 10.449 -17.131 1.00 0.00 H new ATOM 0 HG LEU A 75 13.143 8.266 -16.686 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.900 6.160 -16.859 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.457 7.095 -15.410 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.369 7.067 -16.818 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.522 7.282 -18.934 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.065 8.304 -18.950 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.677 9.053 -19.015 1.00 0.00 H new ATOM 1163 N LYS A 76 13.790 10.696 -14.542 1.00 0.00 N ATOM 1164 CA LYS A 76 15.135 10.600 -13.978 1.00 0.00 C ATOM 1165 C LYS A 76 15.097 10.407 -12.460 1.00 0.00 C ATOM 1166 O LYS A 76 16.020 9.805 -11.913 1.00 0.00 O ATOM 1167 CB LYS A 76 15.951 11.856 -14.330 1.00 0.00 C ATOM 1168 CG LYS A 76 16.194 11.998 -15.842 1.00 0.00 C ATOM 1169 CD LYS A 76 17.045 13.241 -16.147 1.00 0.00 C ATOM 1170 CE LYS A 76 17.257 13.456 -17.654 1.00 0.00 C ATOM 1171 NZ LYS A 76 18.119 12.419 -18.277 1.00 0.00 N ATOM 0 H LYS A 76 13.573 11.610 -14.938 1.00 0.00 H new ATOM 0 HA LYS A 76 15.615 9.724 -14.415 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.427 12.739 -13.965 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.910 11.818 -13.813 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.696 11.107 -16.219 1.00 0.00 H new ATOM 0 HG3 LYS A 76 15.239 12.070 -16.363 1.00 0.00 H new ATOM 0 HD2 LYS A 76 16.562 14.121 -15.723 1.00 0.00 H new ATOM 0 HD3 LYS A 76 18.014 13.142 -15.658 1.00 0.00 H new ATOM 0 HE2 LYS A 76 16.288 13.462 -18.153 1.00 0.00 H new ATOM 0 HE3 LYS A 76 17.705 14.437 -17.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 18.224 12.619 -19.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 19.055 12.428 -17.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.682 11.483 -18.152 1.00 0.00 H new ATOM 1185 N ASP A 77 14.066 10.912 -11.774 1.00 0.00 N ATOM 1186 CA ASP A 77 13.995 10.862 -10.317 1.00 0.00 C ATOM 1187 C ASP A 77 13.632 9.465 -9.823 1.00 0.00 C ATOM 1188 O ASP A 77 14.218 9.019 -8.836 1.00 0.00 O ATOM 1189 CB ASP A 77 12.963 11.858 -9.770 1.00 0.00 C ATOM 1190 CG ASP A 77 12.960 11.824 -8.229 1.00 0.00 C ATOM 1191 OD1 ASP A 77 13.762 12.563 -7.613 1.00 0.00 O ATOM 1192 OD2 ASP A 77 12.174 11.059 -7.627 1.00 0.00 O ATOM 0 H ASP A 77 13.264 11.363 -12.214 1.00 0.00 H new ATOM 0 HA ASP A 77 14.986 11.130 -9.951 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.196 12.864 -10.119 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.971 11.611 -10.149 1.00 0.00 H new ATOM 1197 N ILE A 78 12.692 8.779 -10.496 1.00 0.00 N ATOM 1198 CA ILE A 78 12.077 7.556 -9.995 1.00 0.00 C ATOM 1199 C ILE A 78 13.136 6.517 -9.606 1.00 0.00 C ATOM 1200 O ILE A 78 13.873 6.026 -10.469 1.00 0.00 O ATOM 1201 CB ILE A 78 11.075 6.972 -11.020 1.00 0.00 C ATOM 1202 CG1 ILE A 78 10.410 7.980 -11.975 1.00 0.00 C ATOM 1203 CG2 ILE A 78 10.014 6.151 -10.263 1.00 0.00 C ATOM 1204 CD1 ILE A 78 9.593 9.076 -11.308 1.00 0.00 C ATOM 0 H ILE A 78 12.341 9.067 -11.409 1.00 0.00 H new ATOM 0 HA ILE A 78 11.520 7.814 -9.094 1.00 0.00 H new ATOM 0 HB ILE A 78 11.668 6.347 -11.688 1.00 0.00 H new ATOM 0 HG12 ILE A 78 11.187 8.448 -12.580 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.761 7.432 -12.658 1.00 0.00 H new ATOM 0 HG21 ILE A 78 9.301 5.734 -10.974 1.00 0.00 H new ATOM 0 HG22 ILE A 78 10.500 5.341 -9.719 1.00 0.00 H new ATOM 0 HG23 ILE A 78 9.489 6.796 -9.559 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.170 9.730 -12.071 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.787 8.627 -10.727 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.236 9.658 -10.647 1.00 0.00 H new ATOM 1216 N ALA A 79 13.174 6.159 -8.320 1.00 0.00 N ATOM 1217 CA ALA A 79 14.059 5.149 -7.751 1.00 0.00 C ATOM 1218 C ALA A 79 13.421 3.757 -7.899 1.00 0.00 C ATOM 1219 O ALA A 79 13.279 3.017 -6.922 1.00 0.00 O ATOM 1220 CB ALA A 79 14.370 5.518 -6.292 1.00 0.00 C ATOM 0 H ALA A 79 12.563 6.584 -7.622 1.00 0.00 H new ATOM 0 HA ALA A 79 15.007 5.117 -8.287 1.00 0.00 H new ATOM 0 HB1 ALA A 79 15.031 4.767 -5.860 1.00 0.00 H new ATOM 0 HB2 ALA A 79 14.857 6.493 -6.259 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.442 5.556 -5.721 1.00 0.00 H new ATOM 1226 N MET A 80 12.984 3.424 -9.115 1.00 0.00 N ATOM 1227 CA MET A 80 12.322 2.169 -9.464 1.00 0.00 C ATOM 1228 C MET A 80 12.965 1.631 -10.745 1.00 0.00 C ATOM 1229 O MET A 80 13.485 2.432 -11.533 1.00 0.00 O ATOM 1230 CB MET A 80 10.822 2.407 -9.719 1.00 0.00 C ATOM 1231 CG MET A 80 10.016 2.731 -8.455 1.00 0.00 C ATOM 1232 SD MET A 80 9.850 1.370 -7.262 1.00 0.00 S ATOM 1233 CE MET A 80 8.690 0.292 -8.152 1.00 0.00 C ATOM 0 H MET A 80 13.087 4.048 -9.915 1.00 0.00 H new ATOM 0 HA MET A 80 12.430 1.458 -8.645 1.00 0.00 H new ATOM 0 HB2 MET A 80 10.711 3.227 -10.428 1.00 0.00 H new ATOM 0 HB3 MET A 80 10.399 1.519 -10.189 1.00 0.00 H new ATOM 0 HG2 MET A 80 10.486 3.576 -7.952 1.00 0.00 H new ATOM 0 HG3 MET A 80 9.018 3.053 -8.754 1.00 0.00 H new ATOM 0 HE1 MET A 80 8.400 -0.540 -7.510 1.00 0.00 H new ATOM 0 HE2 MET A 80 7.803 0.862 -8.430 1.00 0.00 H new ATOM 0 HE3 MET A 80 9.169 -0.094 -9.052 1.00 0.00 H new ATOM 1243 N PRO A 81 12.923 0.306 -10.986 1.00 0.00 N ATOM 1244 CA PRO A 81 13.295 -0.272 -12.270 1.00 0.00 C ATOM 1245 C PRO A 81 12.548 0.422 -13.412 1.00 0.00 C ATOM 1246 O PRO A 81 11.382 0.805 -13.266 1.00 0.00 O ATOM 1247 CB PRO A 81 12.929 -1.759 -12.186 1.00 0.00 C ATOM 1248 CG PRO A 81 12.949 -2.050 -10.687 1.00 0.00 C ATOM 1249 CD PRO A 81 12.469 -0.736 -10.076 1.00 0.00 C ATOM 0 HA PRO A 81 14.358 -0.143 -12.476 1.00 0.00 H new ATOM 0 HB2 PRO A 81 11.948 -1.956 -12.619 1.00 0.00 H new ATOM 0 HB3 PRO A 81 13.646 -2.379 -12.724 1.00 0.00 H new ATOM 0 HG2 PRO A 81 12.291 -2.880 -10.428 1.00 0.00 H new ATOM 0 HG3 PRO A 81 13.948 -2.315 -10.341 1.00 0.00 H new ATOM 0 HD2 PRO A 81 11.384 -0.723 -9.975 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.883 -0.593 -9.078 1.00 0.00 H new ATOM 1257 N LYS A 82 13.196 0.552 -14.568 1.00 0.00 N ATOM 1258 CA LYS A 82 12.616 1.136 -15.767 1.00 0.00 C ATOM 1259 C LYS A 82 13.165 0.371 -16.964 1.00 0.00 C ATOM 1260 O LYS A 82 14.287 -0.139 -16.909 1.00 0.00 O ATOM 1261 CB LYS A 82 12.859 2.660 -15.800 1.00 0.00 C ATOM 1262 CG LYS A 82 14.333 3.092 -15.684 1.00 0.00 C ATOM 1263 CD LYS A 82 14.502 4.574 -15.301 1.00 0.00 C ATOM 1264 CE LYS A 82 14.076 4.808 -13.836 1.00 0.00 C ATOM 1265 NZ LYS A 82 14.487 6.132 -13.301 1.00 0.00 N ATOM 0 H LYS A 82 14.161 0.246 -14.696 1.00 0.00 H new ATOM 0 HA LYS A 82 11.531 1.037 -15.787 1.00 0.00 H new ATOM 0 HB2 LYS A 82 12.453 3.056 -16.731 1.00 0.00 H new ATOM 0 HB3 LYS A 82 12.297 3.119 -14.986 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.829 2.472 -14.938 1.00 0.00 H new ATOM 0 HG3 LYS A 82 14.834 2.910 -16.634 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.541 4.874 -15.436 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.902 5.197 -15.964 1.00 0.00 H new ATOM 0 HE2 LYS A 82 12.992 4.716 -13.762 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.505 4.024 -13.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.323 6.158 -12.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.497 6.286 -13.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 13.929 6.880 -13.760 1.00 0.00 H new ATOM 1279 N VAL A 83 12.361 0.243 -18.015 1.00 0.00 N ATOM 1280 CA VAL A 83 12.616 -0.660 -19.131 1.00 0.00 C ATOM 1281 C VAL A 83 12.054 -0.035 -20.411 1.00 0.00 C ATOM 1282 O VAL A 83 11.155 0.806 -20.340 1.00 0.00 O ATOM 1283 CB VAL A 83 12.010 -2.041 -18.769 1.00 0.00 C ATOM 1284 CG1 VAL A 83 10.489 -2.011 -18.528 1.00 0.00 C ATOM 1285 CG2 VAL A 83 12.350 -3.127 -19.799 1.00 0.00 C ATOM 0 H VAL A 83 11.497 0.775 -18.116 1.00 0.00 H new ATOM 0 HA VAL A 83 13.679 -0.816 -19.317 1.00 0.00 H new ATOM 0 HB VAL A 83 12.485 -2.297 -17.822 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.140 -3.013 -18.280 1.00 0.00 H new ATOM 0 HG12 VAL A 83 10.265 -1.334 -17.703 1.00 0.00 H new ATOM 0 HG13 VAL A 83 9.985 -1.664 -19.430 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.900 -4.072 -19.494 1.00 0.00 H new ATOM 0 HG22 VAL A 83 11.960 -2.838 -20.775 1.00 0.00 H new ATOM 0 HG23 VAL A 83 13.432 -3.244 -19.861 1.00 0.00 H new ATOM 1295 N LYS A 84 12.600 -0.398 -21.578 1.00 0.00 N ATOM 1296 CA LYS A 84 12.125 0.106 -22.868 1.00 0.00 C ATOM 1297 C LYS A 84 10.683 -0.346 -23.110 1.00 0.00 C ATOM 1298 O LYS A 84 10.290 -1.426 -22.658 1.00 0.00 O ATOM 1299 CB LYS A 84 13.033 -0.356 -24.019 1.00 0.00 C ATOM 1300 CG LYS A 84 14.513 0.011 -23.798 1.00 0.00 C ATOM 1301 CD LYS A 84 15.359 -0.090 -25.076 1.00 0.00 C ATOM 1302 CE LYS A 84 15.010 1.027 -26.073 1.00 0.00 C ATOM 1303 NZ LYS A 84 15.875 0.991 -27.280 1.00 0.00 N ATOM 0 H LYS A 84 13.382 -1.048 -21.652 1.00 0.00 H new ATOM 0 HA LYS A 84 12.156 1.195 -22.838 1.00 0.00 H new ATOM 0 HB2 LYS A 84 12.945 -1.436 -24.134 1.00 0.00 H new ATOM 0 HB3 LYS A 84 12.688 0.093 -24.950 1.00 0.00 H new ATOM 0 HG2 LYS A 84 14.574 1.027 -23.409 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.934 -0.647 -23.038 1.00 0.00 H new ATOM 0 HD2 LYS A 84 16.417 -0.032 -24.819 1.00 0.00 H new ATOM 0 HD3 LYS A 84 15.198 -1.061 -25.545 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.966 0.931 -26.373 1.00 0.00 H new ATOM 0 HE3 LYS A 84 15.113 1.995 -25.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 15.604 1.761 -27.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 16.869 1.108 -26.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 15.758 0.078 -27.764 1.00 0.00 H new ATOM 1317 N GLY A 85 9.916 0.459 -23.851 1.00 0.00 N ATOM 1318 CA GLY A 85 8.569 0.095 -24.270 1.00 0.00 C ATOM 1319 C GLY A 85 8.616 -1.155 -25.142 1.00 0.00 C ATOM 1320 O GLY A 85 9.496 -1.240 -26.024 1.00 0.00 O ATOM 1321 OXT GLY A 85 7.762 -2.045 -24.955 1.00 0.00 O ATOM 0 H GLY A 85 10.215 1.379 -24.174 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.943 -0.084 -23.396 1.00 0.00 H new ATOM 0 HA3 GLY A 85 8.116 0.918 -24.823 1.00 0.00 H new