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+ -170:sc= 1.74 (180deg=0.889) USER MOD Set 1.2: A 67 THR OG1 : rot 87:sc= 1.47 USER MOD Set 1.3: A 68 HIS : no HE2:sc= 0.14 K(o=3.4,f=2.2) USER MOD Set 2.1: A 48 CYS SG : rot 81:sc= 0.848 USER MOD Set 2.2: A 53 GLN : amide:sc= -0.81 K(o=1.4,f=-6.3!) USER MOD Set 2.3: A 54 SER OG : rot 84:sc= 1.38 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= 0.979 K(o=0.98,f=-0.043) USER MOD Single : A 17 HIS : no HE2:sc= 0.217 K(o=0.22,f=-1) USER MOD Single : A 19 GLN : amide:sc= 0.117 K(o=0.12,f=-5.9!) USER MOD Single : A 23 ASN : amide:sc= -0.871 K(o=-0.87,f=-4.3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.0913 X(o=-0.091,f=-0.091) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.0226 USER MOD Single : A 45 LYS NZ :NH3+ 158:sc= 1.22 (180deg=1.16) USER MOD Single : A 47 TYR OH : rot 30:sc= 0.266 USER MOD Single : A 49 ASN : amide:sc= 0.681 K(o=0.68,f=-4.4!) USER MOD Single : A 56 GLN : amide:sc= 0.607 K(o=0.61,f=-0.34) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 100:sc= 1.22 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 1.25 USER MOD Single : A 71 ASN : amide:sc= 1.18 K(o=1.2,f=0.012) USER MOD Single : A 76 LYS NZ :NH3+ -156:sc= 1.3 (180deg=1.09) USER MOD Single : A 80 MET CE :methyl 176:sc= 0 (180deg=-0.0275) USER MOD Single : A 82 LYS NZ :NH3+ 175:sc= 1.21 (180deg=1.17) USER MOD ----------------------------------------------------------------- ATOM 13 N GLU A 2 1.589 0.641 -3.369 1.00 0.00 N ATOM 14 CA GLU A 2 0.678 0.936 -4.468 1.00 0.00 C ATOM 15 C GLU A 2 -0.348 1.953 -3.950 1.00 0.00 C ATOM 16 O GLU A 2 -0.663 1.958 -2.755 1.00 0.00 O ATOM 17 CB GLU A 2 0.007 -0.379 -4.914 1.00 0.00 C ATOM 18 CG GLU A 2 -0.925 -0.235 -6.125 1.00 0.00 C ATOM 19 CD GLU A 2 -1.520 -1.593 -6.531 1.00 0.00 C ATOM 20 OE1 GLU A 2 -0.919 -2.296 -7.374 1.00 0.00 O ATOM 21 OE2 GLU A 2 -2.614 -1.953 -6.039 1.00 0.00 O ATOM 0 HA GLU A 2 1.193 1.358 -5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.783 -1.106 -5.152 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.563 -0.784 -4.078 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.729 0.461 -5.888 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.373 0.189 -6.964 1.00 0.00 H new ATOM 28 N HIS A 3 -0.889 2.782 -4.844 1.00 0.00 N ATOM 29 CA HIS A 3 -1.996 3.700 -4.593 1.00 0.00 C ATOM 30 C HIS A 3 -2.900 3.664 -5.824 1.00 0.00 C ATOM 31 O HIS A 3 -2.401 3.484 -6.937 1.00 0.00 O ATOM 32 CB HIS A 3 -1.474 5.132 -4.374 1.00 0.00 C ATOM 33 CG HIS A 3 -0.833 5.368 -3.029 1.00 0.00 C ATOM 34 ND1 HIS A 3 -1.413 6.000 -1.950 1.00 0.00 N ATOM 35 CD2 HIS A 3 0.445 5.038 -2.660 1.00 0.00 C ATOM 36 CE1 HIS A 3 -0.508 6.046 -0.958 1.00 0.00 C ATOM 37 NE2 HIS A 3 0.644 5.464 -1.339 1.00 0.00 N ATOM 0 H HIS A 3 -0.551 2.832 -5.805 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.539 3.402 -3.696 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.748 5.363 -5.153 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -2.303 5.829 -4.494 1.00 0.00 H new ATOM 0 HD2 HIS A 3 1.173 4.536 -3.280 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -0.681 6.489 0.012 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.490 5.355 -0.780 1.00 0.00 H new ATOM 45 N TRP A 4 -4.203 3.883 -5.633 1.00 0.00 N ATOM 46 CA TRP A 4 -5.190 3.987 -6.702 1.00 0.00 C ATOM 47 C TRP A 4 -5.781 5.379 -6.594 1.00 0.00 C ATOM 48 O TRP A 4 -6.442 5.683 -5.600 1.00 0.00 O ATOM 49 CB TRP A 4 -6.283 2.918 -6.560 1.00 0.00 C ATOM 50 CG TRP A 4 -5.864 1.530 -6.939 1.00 0.00 C ATOM 51 CD1 TRP A 4 -4.993 0.756 -6.256 1.00 0.00 C ATOM 52 CD2 TRP A 4 -6.271 0.734 -8.096 1.00 0.00 C ATOM 53 NE1 TRP A 4 -4.821 -0.446 -6.906 1.00 0.00 N ATOM 54 CE2 TRP A 4 -5.595 -0.523 -8.044 1.00 0.00 C ATOM 55 CE3 TRP A 4 -7.147 0.946 -9.184 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -5.783 -1.518 -9.016 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -7.342 -0.044 -10.165 1.00 0.00 C ATOM 58 CH2 TRP A 4 -6.661 -1.272 -10.085 1.00 0.00 C ATOM 0 H TRP A 4 -4.608 3.995 -4.704 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.728 3.823 -7.676 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -6.628 2.908 -5.526 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -7.134 3.206 -7.177 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -4.503 1.038 -5.336 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -4.198 -1.187 -6.585 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -7.676 1.884 -9.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -5.260 -2.460 -8.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -8.020 0.141 -10.985 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -6.813 -2.025 -10.844 1.00 0.00 H new ATOM 69 N ILE A 5 -5.521 6.226 -7.586 1.00 0.00 N ATOM 70 CA ILE A 5 -5.896 7.630 -7.571 1.00 0.00 C ATOM 71 C ILE A 5 -6.751 7.837 -8.818 1.00 0.00 C ATOM 72 O ILE A 5 -6.251 7.784 -9.942 1.00 0.00 O ATOM 73 CB ILE A 5 -4.636 8.535 -7.502 1.00 0.00 C ATOM 74 CG1 ILE A 5 -3.839 8.282 -6.198 1.00 0.00 C ATOM 75 CG2 ILE A 5 -5.028 10.022 -7.595 1.00 0.00 C ATOM 76 CD1 ILE A 5 -2.486 8.992 -6.128 1.00 0.00 C ATOM 0 H ILE A 5 -5.034 5.947 -8.438 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.470 7.909 -6.688 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.001 8.283 -8.351 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.445 8.600 -5.350 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.677 7.210 -6.089 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.131 10.639 -7.545 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.541 10.205 -8.539 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.690 10.276 -6.767 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.000 8.757 -5.181 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.856 8.657 -6.952 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.636 10.069 -6.201 1.00 0.00 H new ATOM 88 N ASP A 6 -8.056 8.007 -8.628 1.00 0.00 N ATOM 89 CA ASP A 6 -8.938 8.464 -9.691 1.00 0.00 C ATOM 90 C ASP A 6 -8.524 9.896 -10.043 1.00 0.00 C ATOM 91 O ASP A 6 -8.130 10.666 -9.158 1.00 0.00 O ATOM 92 CB ASP A 6 -10.375 8.391 -9.185 1.00 0.00 C ATOM 93 CG ASP A 6 -11.460 8.792 -10.192 1.00 0.00 C ATOM 94 OD1 ASP A 6 -11.208 9.155 -11.365 1.00 0.00 O ATOM 95 OD2 ASP A 6 -12.637 8.645 -9.804 1.00 0.00 O ATOM 0 H ASP A 6 -8.527 7.833 -7.740 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.867 7.847 -10.587 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.572 7.371 -8.854 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.464 9.033 -8.309 1.00 0.00 H new ATOM 100 N VAL A 7 -8.576 10.243 -11.327 1.00 0.00 N ATOM 101 CA VAL A 7 -8.136 11.536 -11.844 1.00 0.00 C ATOM 102 C VAL A 7 -9.200 12.182 -12.741 1.00 0.00 C ATOM 103 O VAL A 7 -8.926 13.214 -13.359 1.00 0.00 O ATOM 104 CB VAL A 7 -6.750 11.412 -12.523 1.00 0.00 C ATOM 105 CG1 VAL A 7 -5.627 11.057 -11.536 1.00 0.00 C ATOM 106 CG2 VAL A 7 -6.721 10.363 -13.644 1.00 0.00 C ATOM 0 H VAL A 7 -8.933 9.620 -12.052 1.00 0.00 H new ATOM 0 HA VAL A 7 -8.011 12.219 -11.004 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.577 12.404 -12.940 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.681 10.984 -12.072 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.554 11.833 -10.774 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.849 10.102 -11.061 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.723 10.324 -14.080 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.977 9.386 -13.235 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.443 10.634 -14.414 1.00 0.00 H new ATOM 116 N ARG A 8 -10.413 11.618 -12.844 1.00 0.00 N ATOM 117 CA ARG A 8 -11.509 12.298 -13.545 1.00 0.00 C ATOM 118 C ARG A 8 -11.882 13.596 -12.824 1.00 0.00 C ATOM 119 O ARG A 8 -11.478 13.818 -11.680 1.00 0.00 O ATOM 120 CB ARG A 8 -12.685 11.344 -13.768 1.00 0.00 C ATOM 121 CG ARG A 8 -13.654 11.216 -12.602 1.00 0.00 C ATOM 122 CD ARG A 8 -14.616 10.066 -12.905 1.00 0.00 C ATOM 123 NE ARG A 8 -14.241 8.881 -12.141 1.00 0.00 N ATOM 124 CZ ARG A 8 -15.117 8.019 -11.629 1.00 0.00 C ATOM 125 NH1 ARG A 8 -16.387 7.978 -12.013 1.00 0.00 N ATOM 126 NH2 ARG A 8 -14.715 7.214 -10.671 1.00 0.00 N ATOM 0 H ARG A 8 -10.656 10.706 -12.457 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.180 12.594 -14.541 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -13.240 11.678 -14.644 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.289 10.355 -13.999 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -13.112 11.024 -11.676 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -14.205 12.146 -12.462 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -15.636 10.360 -12.657 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -14.600 9.840 -13.971 1.00 0.00 H new ATOM 0 HE ARG A 8 -13.248 8.702 -11.990 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -16.725 8.623 -12.727 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -17.025 7.301 -11.594 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.752 7.259 -10.337 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.366 6.544 -10.261 1.00 0.00 H new ATOM 140 N VAL A 9 -12.650 14.456 -13.497 1.00 0.00 N ATOM 141 CA VAL A 9 -13.085 15.721 -12.910 1.00 0.00 C ATOM 142 C VAL A 9 -13.875 15.423 -11.614 1.00 0.00 C ATOM 143 O VAL A 9 -14.558 14.395 -11.549 1.00 0.00 O ATOM 144 CB VAL A 9 -13.846 16.578 -13.946 1.00 0.00 C ATOM 145 CG1 VAL A 9 -12.912 16.983 -15.098 1.00 0.00 C ATOM 146 CG2 VAL A 9 -15.083 15.885 -14.529 1.00 0.00 C ATOM 0 H VAL A 9 -12.982 14.298 -14.448 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.229 16.333 -12.625 1.00 0.00 H new ATOM 0 HB VAL A 9 -14.193 17.457 -13.403 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.464 17.586 -15.819 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.078 17.563 -14.703 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.531 16.088 -15.590 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -15.566 16.547 -15.248 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -14.783 14.964 -15.028 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.782 15.651 -13.726 1.00 0.00 H new ATOM 156 N PRO A 10 -13.834 16.286 -10.583 1.00 0.00 N ATOM 157 CA PRO A 10 -14.331 15.931 -9.253 1.00 0.00 C ATOM 158 C PRO A 10 -15.819 15.568 -9.244 1.00 0.00 C ATOM 159 O PRO A 10 -16.220 14.613 -8.579 1.00 0.00 O ATOM 160 CB PRO A 10 -14.007 17.128 -8.351 1.00 0.00 C ATOM 161 CG PRO A 10 -13.803 18.297 -9.317 1.00 0.00 C ATOM 162 CD PRO A 10 -13.299 17.639 -10.598 1.00 0.00 C ATOM 0 HA PRO A 10 -13.846 15.025 -8.890 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.819 17.329 -7.652 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -13.112 16.945 -7.756 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.733 18.840 -9.487 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -13.081 19.015 -8.927 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.639 18.185 -11.478 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.210 17.629 -10.630 1.00 0.00 H new ATOM 170 N GLU A 11 -16.633 16.270 -10.032 1.00 0.00 N ATOM 171 CA GLU A 11 -18.064 16.003 -10.115 1.00 0.00 C ATOM 172 C GLU A 11 -18.363 14.653 -10.772 1.00 0.00 C ATOM 173 O GLU A 11 -19.405 14.068 -10.476 1.00 0.00 O ATOM 174 CB GLU A 11 -18.751 17.118 -10.908 1.00 0.00 C ATOM 175 CG GLU A 11 -18.888 18.407 -10.085 1.00 0.00 C ATOM 176 CD GLU A 11 -19.617 19.507 -10.877 1.00 0.00 C ATOM 177 OE1 GLU A 11 -18.954 20.299 -11.585 1.00 0.00 O ATOM 178 OE2 GLU A 11 -20.863 19.606 -10.788 1.00 0.00 O ATOM 0 H GLU A 11 -16.318 17.036 -10.627 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.450 15.969 -9.096 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -18.180 17.324 -11.813 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.739 16.783 -11.224 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -19.434 18.197 -9.166 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -17.899 18.761 -9.794 1.00 0.00 H new ATOM 185 N GLN A 12 -17.480 14.138 -11.639 1.00 0.00 N ATOM 186 CA GLN A 12 -17.660 12.826 -12.243 1.00 0.00 C ATOM 187 C GLN A 12 -17.196 11.767 -11.244 1.00 0.00 C ATOM 188 O GLN A 12 -17.788 10.691 -11.185 1.00 0.00 O ATOM 189 CB GLN A 12 -16.903 12.723 -13.587 1.00 0.00 C ATOM 190 CG GLN A 12 -17.640 13.459 -14.719 1.00 0.00 C ATOM 191 CD GLN A 12 -16.926 13.363 -16.075 1.00 0.00 C ATOM 192 OE1 GLN A 12 -15.957 12.629 -16.259 1.00 0.00 O ATOM 193 NE2 GLN A 12 -17.390 14.113 -17.062 1.00 0.00 N ATOM 0 H GLN A 12 -16.631 14.620 -11.934 1.00 0.00 H new ATOM 0 HA GLN A 12 -18.713 12.663 -12.472 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -15.903 13.141 -13.473 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.781 11.674 -13.855 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -18.645 13.048 -14.816 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.750 14.509 -14.448 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -18.194 14.721 -16.906 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -16.943 14.083 -17.979 1.00 0.00 H new ATOM 202 N TYR A 13 -16.156 12.055 -10.452 1.00 0.00 N ATOM 203 CA TYR A 13 -15.615 11.114 -9.478 1.00 0.00 C ATOM 204 C TYR A 13 -16.693 10.679 -8.484 1.00 0.00 C ATOM 205 O TYR A 13 -16.849 9.484 -8.226 1.00 0.00 O ATOM 206 CB TYR A 13 -14.381 11.710 -8.781 1.00 0.00 C ATOM 207 CG TYR A 13 -14.266 11.416 -7.294 1.00 0.00 C ATOM 208 CD1 TYR A 13 -13.884 10.136 -6.846 1.00 0.00 C ATOM 209 CD2 TYR A 13 -14.552 12.427 -6.355 1.00 0.00 C ATOM 210 CE1 TYR A 13 -13.761 9.880 -5.470 1.00 0.00 C ATOM 211 CE2 TYR A 13 -14.454 12.168 -4.977 1.00 0.00 C ATOM 212 CZ TYR A 13 -14.052 10.889 -4.526 1.00 0.00 C ATOM 213 OH TYR A 13 -13.919 10.626 -3.196 1.00 0.00 O ATOM 0 H TYR A 13 -15.669 12.951 -10.473 1.00 0.00 H new ATOM 0 HA TYR A 13 -15.287 10.215 -10.001 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -13.487 11.334 -9.279 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.393 12.791 -8.920 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -13.686 9.351 -7.561 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -14.849 13.408 -6.697 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -13.442 8.905 -5.132 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -14.685 12.945 -4.263 1.00 0.00 H new ATOM 0 HH TYR A 13 -14.156 11.424 -2.679 1.00 0.00 H new ATOM 223 N GLN A 14 -17.465 11.642 -7.970 1.00 0.00 N ATOM 224 CA GLN A 14 -18.464 11.390 -6.937 1.00 0.00 C ATOM 225 C GLN A 14 -19.561 10.414 -7.385 1.00 0.00 C ATOM 226 O GLN A 14 -20.214 9.818 -6.526 1.00 0.00 O ATOM 227 CB GLN A 14 -19.093 12.721 -6.494 1.00 0.00 C ATOM 228 CG GLN A 14 -18.114 13.591 -5.692 1.00 0.00 C ATOM 229 CD GLN A 14 -18.802 14.843 -5.148 1.00 0.00 C ATOM 230 OE1 GLN A 14 -18.645 15.944 -5.671 1.00 0.00 O ATOM 231 NE2 GLN A 14 -19.586 14.702 -4.092 1.00 0.00 N ATOM 0 H GLN A 14 -17.411 12.618 -8.262 1.00 0.00 H new ATOM 0 HA GLN A 14 -17.948 10.917 -6.101 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -19.429 13.272 -7.373 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -19.976 12.519 -5.888 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -17.702 13.012 -4.866 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -17.277 13.880 -6.327 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -19.708 13.783 -3.667 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -20.068 15.512 -3.703 1.00 0.00 H new ATOM 240 N GLN A 15 -19.784 10.259 -8.698 1.00 0.00 N ATOM 241 CA GLN A 15 -20.908 9.497 -9.230 1.00 0.00 C ATOM 242 C GLN A 15 -20.774 7.998 -8.919 1.00 0.00 C ATOM 243 O GLN A 15 -21.788 7.357 -8.648 1.00 0.00 O ATOM 244 CB GLN A 15 -21.054 9.749 -10.744 1.00 0.00 C ATOM 245 CG GLN A 15 -21.180 11.240 -11.128 1.00 0.00 C ATOM 246 CD GLN A 15 -22.316 11.974 -10.410 1.00 0.00 C ATOM 247 OE1 GLN A 15 -23.434 11.479 -10.286 1.00 0.00 O ATOM 248 NE2 GLN A 15 -22.052 13.172 -9.914 1.00 0.00 N ATOM 0 H GLN A 15 -19.184 10.662 -9.418 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.817 9.842 -8.736 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -20.190 9.325 -11.257 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -21.933 9.216 -11.107 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -20.239 11.743 -10.906 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -21.335 11.316 -12.204 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -21.121 13.575 -10.022 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -22.779 13.693 -9.424 1.00 0.00 H new ATOM 257 N GLU A 16 -19.547 7.462 -8.925 1.00 0.00 N ATOM 258 CA GLU A 16 -19.137 6.130 -8.463 1.00 0.00 C ATOM 259 C GLU A 16 -17.643 5.996 -8.769 1.00 0.00 C ATOM 260 O GLU A 16 -17.206 6.450 -9.826 1.00 0.00 O ATOM 261 CB GLU A 16 -19.928 4.968 -9.112 1.00 0.00 C ATOM 262 CG GLU A 16 -19.930 4.955 -10.652 1.00 0.00 C ATOM 263 CD GLU A 16 -20.764 3.803 -11.237 1.00 0.00 C ATOM 264 OE1 GLU A 16 -21.998 3.763 -11.033 1.00 0.00 O ATOM 265 OE2 GLU A 16 -20.195 2.957 -11.964 1.00 0.00 O ATOM 0 H GLU A 16 -18.751 7.991 -9.282 1.00 0.00 H new ATOM 0 HA GLU A 16 -19.349 6.051 -7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.513 4.025 -8.757 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -20.960 5.013 -8.764 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -20.322 5.904 -11.018 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.904 4.874 -11.011 1.00 0.00 H new ATOM 272 N HIS A 17 -16.850 5.369 -7.900 1.00 0.00 N ATOM 273 CA HIS A 17 -15.416 5.152 -8.094 1.00 0.00 C ATOM 274 C HIS A 17 -14.995 3.845 -7.417 1.00 0.00 C ATOM 275 O HIS A 17 -15.679 3.378 -6.505 1.00 0.00 O ATOM 276 CB HIS A 17 -14.623 6.356 -7.555 1.00 0.00 C ATOM 277 CG HIS A 17 -14.314 6.303 -6.080 1.00 0.00 C ATOM 278 ND1 HIS A 17 -15.217 6.148 -5.050 1.00 0.00 N ATOM 279 CD2 HIS A 17 -13.063 6.359 -5.525 1.00 0.00 C ATOM 280 CE1 HIS A 17 -14.523 6.123 -3.900 1.00 0.00 C ATOM 281 NE2 HIS A 17 -13.203 6.260 -4.134 1.00 0.00 N ATOM 0 H HIS A 17 -17.196 4.988 -7.019 1.00 0.00 H new ATOM 0 HA HIS A 17 -15.198 5.064 -9.158 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -13.685 6.431 -8.105 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -15.187 7.266 -7.761 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -16.229 6.067 -5.144 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -12.133 6.461 -6.064 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -14.963 6.009 -2.921 1.00 0.00 H new ATOM 289 N VAL A 18 -13.907 3.237 -7.889 1.00 0.00 N ATOM 290 CA VAL A 18 -13.457 1.918 -7.459 1.00 0.00 C ATOM 291 C VAL A 18 -13.196 1.940 -5.947 1.00 0.00 C ATOM 292 O VAL A 18 -12.570 2.867 -5.425 1.00 0.00 O ATOM 293 CB VAL A 18 -12.219 1.494 -8.280 1.00 0.00 C ATOM 294 CG1 VAL A 18 -11.688 0.120 -7.851 1.00 0.00 C ATOM 295 CG2 VAL A 18 -12.547 1.426 -9.783 1.00 0.00 C ATOM 0 H VAL A 18 -13.303 3.658 -8.595 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.227 1.169 -7.644 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.458 2.251 -8.092 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.818 -0.138 -8.454 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.404 0.152 -6.799 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.465 -0.631 -7.994 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.657 1.125 -10.336 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.341 0.698 -9.950 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.875 2.406 -10.129 1.00 0.00 H new ATOM 305 N GLN A 19 -13.688 0.915 -5.246 1.00 0.00 N ATOM 306 CA GLN A 19 -13.564 0.801 -3.800 1.00 0.00 C ATOM 307 C GLN A 19 -12.082 0.828 -3.391 1.00 0.00 C ATOM 308 O GLN A 19 -11.229 0.242 -4.062 1.00 0.00 O ATOM 309 CB GLN A 19 -14.292 -0.477 -3.338 1.00 0.00 C ATOM 310 CG GLN A 19 -14.248 -0.756 -1.824 1.00 0.00 C ATOM 311 CD GLN A 19 -14.884 0.349 -0.976 1.00 0.00 C ATOM 312 OE1 GLN A 19 -14.346 1.447 -0.856 1.00 0.00 O ATOM 313 NE2 GLN A 19 -16.028 0.092 -0.362 1.00 0.00 N ATOM 0 H GLN A 19 -14.188 0.136 -5.675 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.035 1.650 -3.305 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -15.335 -0.412 -3.647 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.858 -1.330 -3.860 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -14.760 -1.697 -1.622 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.210 -0.885 -1.517 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -16.469 -0.822 -0.466 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -16.469 0.808 0.216 1.00 0.00 H new ATOM 322 N GLY A 20 -11.787 1.499 -2.275 1.00 0.00 N ATOM 323 CA GLY A 20 -10.459 1.565 -1.672 1.00 0.00 C ATOM 324 C GLY A 20 -9.531 2.608 -2.306 1.00 0.00 C ATOM 325 O GLY A 20 -8.460 2.871 -1.754 1.00 0.00 O ATOM 0 H GLY A 20 -12.487 2.026 -1.753 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.565 1.787 -0.610 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.989 0.584 -1.747 1.00 0.00 H new ATOM 329 N ALA A 21 -9.909 3.207 -3.441 1.00 0.00 N ATOM 330 CA ALA A 21 -9.143 4.265 -4.089 1.00 0.00 C ATOM 331 C ALA A 21 -9.295 5.606 -3.349 1.00 0.00 C ATOM 332 O ALA A 21 -10.061 5.733 -2.388 1.00 0.00 O ATOM 333 CB ALA A 21 -9.615 4.387 -5.545 1.00 0.00 C ATOM 0 H ALA A 21 -10.766 2.964 -3.937 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.084 4.009 -4.063 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.052 5.175 -6.045 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.452 3.441 -6.061 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.677 4.632 -5.564 1.00 0.00 H new ATOM 339 N ILE A 22 -8.585 6.618 -3.843 1.00 0.00 N ATOM 340 CA ILE A 22 -8.722 8.031 -3.496 1.00 0.00 C ATOM 341 C ILE A 22 -8.927 8.772 -4.832 1.00 0.00 C ATOM 342 O ILE A 22 -8.866 8.153 -5.899 1.00 0.00 O ATOM 343 CB ILE A 22 -7.493 8.480 -2.658 1.00 0.00 C ATOM 344 CG1 ILE A 22 -7.706 9.836 -1.951 1.00 0.00 C ATOM 345 CG2 ILE A 22 -6.208 8.518 -3.497 1.00 0.00 C ATOM 346 CD1 ILE A 22 -6.539 10.237 -1.038 1.00 0.00 C ATOM 0 H ILE A 22 -7.855 6.464 -4.538 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.575 8.255 -2.855 1.00 0.00 H new ATOM 0 HB ILE A 22 -7.380 7.722 -1.883 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.852 10.611 -2.704 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.621 9.790 -1.360 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.374 8.837 -2.871 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.004 7.524 -3.895 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.332 9.220 -4.321 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.755 11.199 -0.573 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.407 9.481 -0.264 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.626 10.316 -1.628 1.00 0.00 H new ATOM 358 N ASN A 23 -9.169 10.082 -4.815 1.00 0.00 N ATOM 359 CA ASN A 23 -9.353 10.877 -6.023 1.00 0.00 C ATOM 360 C ASN A 23 -8.637 12.206 -5.883 1.00 0.00 C ATOM 361 O ASN A 23 -8.793 12.888 -4.869 1.00 0.00 O ATOM 362 CB ASN A 23 -10.834 11.082 -6.295 1.00 0.00 C ATOM 363 CG ASN A 23 -11.028 11.976 -7.511 1.00 0.00 C ATOM 364 OD1 ASN A 23 -10.983 11.547 -8.654 1.00 0.00 O ATOM 365 ND2 ASN A 23 -11.201 13.261 -7.285 1.00 0.00 N ATOM 0 H ASN A 23 -9.243 10.624 -3.954 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.923 10.344 -6.871 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.317 10.119 -6.462 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.312 11.531 -5.425 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.299 13.908 -8.068 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.237 13.610 -6.327 1.00 0.00 H new ATOM 372 N ILE A 24 -7.891 12.577 -6.919 1.00 0.00 N ATOM 373 CA ILE A 24 -7.239 13.867 -7.061 1.00 0.00 C ATOM 374 C ILE A 24 -7.430 14.189 -8.551 1.00 0.00 C ATOM 375 O ILE A 24 -6.758 13.563 -9.370 1.00 0.00 O ATOM 376 CB ILE A 24 -5.745 13.812 -6.646 1.00 0.00 C ATOM 377 CG1 ILE A 24 -5.494 13.154 -5.266 1.00 0.00 C ATOM 378 CG2 ILE A 24 -5.199 15.251 -6.648 1.00 0.00 C ATOM 379 CD1 ILE A 24 -4.010 12.946 -4.938 1.00 0.00 C ATOM 0 H ILE A 24 -7.720 11.960 -7.713 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.658 14.635 -6.411 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.228 13.179 -7.367 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.944 13.775 -4.491 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.001 12.190 -5.236 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.148 15.242 -6.359 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.297 15.676 -7.647 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.765 15.856 -5.939 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.916 12.481 -3.957 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.558 12.300 -5.690 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.500 13.909 -4.934 1.00 0.00 H new ATOM 391 N PRO A 25 -8.381 15.059 -8.939 1.00 0.00 N ATOM 392 CA PRO A 25 -8.674 15.322 -10.347 1.00 0.00 C ATOM 393 C PRO A 25 -7.424 15.735 -11.119 1.00 0.00 C ATOM 394 O PRO A 25 -6.555 16.387 -10.549 1.00 0.00 O ATOM 395 CB PRO A 25 -9.703 16.454 -10.356 1.00 0.00 C ATOM 396 CG PRO A 25 -10.363 16.361 -8.982 1.00 0.00 C ATOM 397 CD PRO A 25 -9.235 15.866 -8.082 1.00 0.00 C ATOM 0 HA PRO A 25 -9.049 14.423 -10.836 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.229 17.424 -10.507 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.430 16.327 -11.158 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.745 17.328 -8.653 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.206 15.670 -8.987 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.682 16.700 -7.651 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.625 15.278 -7.251 1.00 0.00 H new ATOM 405 N LEU A 26 -7.356 15.447 -12.421 1.00 0.00 N ATOM 406 CA LEU A 26 -6.213 15.770 -13.284 1.00 0.00 C ATOM 407 C LEU A 26 -5.715 17.210 -13.104 1.00 0.00 C ATOM 408 O LEU A 26 -4.512 17.426 -12.960 1.00 0.00 O ATOM 409 CB LEU A 26 -6.612 15.479 -14.741 1.00 0.00 C ATOM 410 CG LEU A 26 -5.656 16.031 -15.817 1.00 0.00 C ATOM 411 CD1 LEU A 26 -4.322 15.281 -15.798 1.00 0.00 C ATOM 412 CD2 LEU A 26 -6.305 15.912 -17.199 1.00 0.00 C ATOM 0 H LEU A 26 -8.110 14.972 -12.917 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.368 15.143 -12.998 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.689 14.399 -14.869 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.605 15.893 -14.916 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.461 17.081 -15.599 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.665 15.689 -16.566 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.854 15.396 -14.821 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.497 14.223 -15.994 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.625 16.304 -17.955 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.519 14.865 -17.411 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.233 16.483 -17.215 1.00 0.00 H new ATOM 424 N LYS A 27 -6.627 18.190 -13.069 1.00 0.00 N ATOM 425 CA LYS A 27 -6.283 19.612 -12.925 1.00 0.00 C ATOM 426 C LYS A 27 -5.695 19.948 -11.545 1.00 0.00 C ATOM 427 O LYS A 27 -5.194 21.053 -11.344 1.00 0.00 O ATOM 428 CB LYS A 27 -7.522 20.484 -13.203 1.00 0.00 C ATOM 429 CG LYS A 27 -8.033 20.339 -14.649 1.00 0.00 C ATOM 430 CD LYS A 27 -9.266 21.207 -14.944 1.00 0.00 C ATOM 431 CE LYS A 27 -8.950 22.710 -14.889 1.00 0.00 C ATOM 432 NZ LYS A 27 -10.126 23.544 -15.240 1.00 0.00 N ATOM 0 H LYS A 27 -7.630 18.019 -13.140 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.506 19.828 -13.658 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.318 20.210 -12.511 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.278 21.529 -13.010 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.233 20.608 -15.339 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.279 19.294 -14.838 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.656 20.956 -15.930 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.050 20.977 -14.223 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.608 22.971 -13.888 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.132 22.933 -15.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.866 24.550 -15.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.438 23.315 -16.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.899 23.352 -14.572 1.00 0.00 H new ATOM 446 N GLU A 28 -5.753 19.016 -10.597 1.00 0.00 N ATOM 447 CA GLU A 28 -5.435 19.188 -9.188 1.00 0.00 C ATOM 448 C GLU A 28 -4.272 18.270 -8.765 1.00 0.00 C ATOM 449 O GLU A 28 -3.706 18.495 -7.694 1.00 0.00 O ATOM 450 CB GLU A 28 -6.704 18.877 -8.363 1.00 0.00 C ATOM 451 CG GLU A 28 -7.947 19.727 -8.703 1.00 0.00 C ATOM 452 CD GLU A 28 -7.721 21.241 -8.525 1.00 0.00 C ATOM 453 OE1 GLU A 28 -7.139 21.657 -7.497 1.00 0.00 O ATOM 454 OE2 GLU A 28 -8.156 22.026 -9.397 1.00 0.00 O ATOM 0 H GLU A 28 -6.042 18.061 -10.809 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.115 20.214 -9.008 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.956 17.826 -8.501 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.471 19.013 -7.307 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.242 19.530 -9.734 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.776 19.414 -8.069 1.00 0.00 H new ATOM 461 N VAL A 29 -3.898 17.273 -9.589 1.00 0.00 N ATOM 462 CA VAL A 29 -2.879 16.253 -9.299 1.00 0.00 C ATOM 463 C VAL A 29 -1.590 16.887 -8.784 1.00 0.00 C ATOM 464 O VAL A 29 -1.145 16.551 -7.686 1.00 0.00 O ATOM 465 CB VAL A 29 -2.644 15.357 -10.546 1.00 0.00 C ATOM 466 CG1 VAL A 29 -1.343 14.536 -10.512 1.00 0.00 C ATOM 467 CG2 VAL A 29 -3.779 14.341 -10.724 1.00 0.00 C ATOM 0 H VAL A 29 -4.316 17.154 -10.512 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.245 15.610 -8.499 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.591 16.073 -11.366 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.264 13.942 -11.422 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.489 15.210 -10.443 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.353 13.874 -9.646 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.585 13.729 -11.605 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.836 13.701 -9.843 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.724 14.869 -10.850 1.00 0.00 H new ATOM 477 N LYS A 30 -0.995 17.808 -9.551 1.00 0.00 N ATOM 478 CA LYS A 30 0.350 18.322 -9.276 1.00 0.00 C ATOM 479 C LYS A 30 0.485 18.948 -7.889 1.00 0.00 C ATOM 480 O LYS A 30 1.553 18.885 -7.284 1.00 0.00 O ATOM 481 CB LYS A 30 0.780 19.300 -10.382 1.00 0.00 C ATOM 482 CG LYS A 30 -0.131 20.530 -10.546 1.00 0.00 C ATOM 483 CD LYS A 30 0.349 21.424 -11.697 1.00 0.00 C ATOM 484 CE LYS A 30 -0.569 22.648 -11.827 1.00 0.00 C ATOM 485 NZ LYS A 30 -0.150 23.550 -12.928 1.00 0.00 N ATOM 0 H LYS A 30 -1.432 18.216 -10.377 1.00 0.00 H new ATOM 0 HA LYS A 30 1.026 17.467 -9.277 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.794 19.642 -10.172 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.815 18.762 -11.330 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.154 20.206 -10.736 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.145 21.102 -9.618 1.00 0.00 H new ATOM 0 HD2 LYS A 30 1.375 21.746 -11.516 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.352 20.860 -12.630 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.592 22.315 -12.002 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.570 23.201 -10.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.798 24.362 -12.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.817 23.890 -12.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.174 23.032 -13.829 1.00 0.00 H new ATOM 499 N GLU A 31 -0.598 19.530 -7.380 1.00 0.00 N ATOM 500 CA GLU A 31 -0.619 20.211 -6.091 1.00 0.00 C ATOM 501 C GLU A 31 -0.574 19.226 -4.914 1.00 0.00 C ATOM 502 O GLU A 31 -0.150 19.611 -3.823 1.00 0.00 O ATOM 503 CB GLU A 31 -1.900 21.053 -5.991 1.00 0.00 C ATOM 504 CG GLU A 31 -2.001 22.196 -7.013 1.00 0.00 C ATOM 505 CD GLU A 31 -0.928 23.280 -6.791 1.00 0.00 C ATOM 506 OE1 GLU A 31 -1.142 24.189 -5.957 1.00 0.00 O ATOM 507 OE2 GLU A 31 0.129 23.246 -7.458 1.00 0.00 O ATOM 0 H GLU A 31 -1.498 19.541 -7.860 1.00 0.00 H new ATOM 0 HA GLU A 31 0.269 20.841 -6.032 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.761 20.396 -6.116 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.964 21.475 -4.988 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.900 21.790 -8.019 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.990 22.650 -6.950 1.00 0.00 H new ATOM 514 N ARG A 32 -1.024 17.975 -5.098 1.00 0.00 N ATOM 515 CA ARG A 32 -1.248 17.027 -3.995 1.00 0.00 C ATOM 516 C ARG A 32 -0.405 15.767 -4.133 1.00 0.00 C ATOM 517 O ARG A 32 -0.047 15.182 -3.110 1.00 0.00 O ATOM 518 CB ARG A 32 -2.737 16.625 -3.926 1.00 0.00 C ATOM 519 CG ARG A 32 -3.688 17.595 -3.207 1.00 0.00 C ATOM 520 CD ARG A 32 -3.856 18.906 -3.975 1.00 0.00 C ATOM 521 NE ARG A 32 -5.045 19.665 -3.550 1.00 0.00 N ATOM 522 CZ ARG A 32 -5.767 20.471 -4.342 1.00 0.00 C ATOM 523 NH1 ARG A 32 -5.431 20.640 -5.617 1.00 0.00 N ATOM 524 NH2 ARG A 32 -6.829 21.106 -3.861 1.00 0.00 N ATOM 0 H ARG A 32 -1.243 17.592 -6.017 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.950 17.538 -3.079 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.099 16.489 -4.945 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.804 15.656 -3.432 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.662 17.121 -3.081 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.304 17.806 -2.209 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.967 19.521 -3.834 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.929 18.691 -5.041 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.342 19.570 -2.579 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.619 20.155 -5.999 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.985 21.255 -6.213 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.099 20.982 -2.885 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.375 21.718 -4.467 1.00 0.00 H new ATOM 538 N ILE A 33 -0.076 15.323 -5.349 1.00 0.00 N ATOM 539 CA ILE A 33 0.577 14.030 -5.550 1.00 0.00 C ATOM 540 C ILE A 33 1.925 13.961 -4.821 1.00 0.00 C ATOM 541 O ILE A 33 2.239 12.926 -4.239 1.00 0.00 O ATOM 542 CB ILE A 33 0.649 13.680 -7.054 1.00 0.00 C ATOM 543 CG1 ILE A 33 1.122 12.229 -7.295 1.00 0.00 C ATOM 544 CG2 ILE A 33 1.528 14.651 -7.865 1.00 0.00 C ATOM 545 CD1 ILE A 33 0.166 11.165 -6.751 1.00 0.00 C ATOM 0 H ILE A 33 -0.252 15.842 -6.209 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.032 13.251 -5.092 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.375 13.782 -7.412 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.252 12.073 -8.366 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.100 12.095 -6.833 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.535 14.348 -8.912 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.126 15.661 -7.782 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.546 14.632 -7.475 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.568 10.174 -6.959 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.055 11.292 -5.674 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.807 11.270 -7.231 1.00 0.00 H new ATOM 557 N ALA A 34 2.652 15.083 -4.739 1.00 0.00 N ATOM 558 CA ALA A 34 3.922 15.192 -4.021 1.00 0.00 C ATOM 559 C ALA A 34 3.808 14.934 -2.505 1.00 0.00 C ATOM 560 O ALA A 34 4.838 14.835 -1.837 1.00 0.00 O ATOM 561 CB ALA A 34 4.527 16.575 -4.291 1.00 0.00 C ATOM 0 H ALA A 34 2.365 15.957 -5.180 1.00 0.00 H new ATOM 0 HA ALA A 34 4.575 14.405 -4.398 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.475 16.667 -3.760 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.697 16.695 -5.361 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.840 17.347 -3.944 1.00 0.00 H new ATOM 567 N THR A 35 2.593 14.819 -1.959 1.00 0.00 N ATOM 568 CA THR A 35 2.336 14.520 -0.552 1.00 0.00 C ATOM 569 C THR A 35 1.511 13.227 -0.430 1.00 0.00 C ATOM 570 O THR A 35 1.745 12.447 0.493 1.00 0.00 O ATOM 571 CB THR A 35 1.640 15.732 0.102 1.00 0.00 C ATOM 572 OG1 THR A 35 2.327 16.936 -0.202 1.00 0.00 O ATOM 573 CG2 THR A 35 1.573 15.620 1.629 1.00 0.00 C ATOM 0 H THR A 35 1.738 14.935 -2.503 1.00 0.00 H new ATOM 0 HA THR A 35 3.272 14.347 -0.021 1.00 0.00 H new ATOM 0 HB THR A 35 0.629 15.743 -0.305 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.867 17.691 0.221 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.074 16.499 2.037 1.00 0.00 H new ATOM 0 HG22 THR A 35 1.015 14.725 1.904 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.583 15.556 2.034 1.00 0.00 H new ATOM 581 N ALA A 36 0.595 12.951 -1.372 1.00 0.00 N ATOM 582 CA ALA A 36 -0.157 11.698 -1.411 1.00 0.00 C ATOM 583 C ALA A 36 0.760 10.500 -1.699 1.00 0.00 C ATOM 584 O ALA A 36 0.547 9.421 -1.145 1.00 0.00 O ATOM 585 CB ALA A 36 -1.261 11.790 -2.470 1.00 0.00 C ATOM 0 H ALA A 36 0.359 13.595 -2.127 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.607 11.540 -0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.819 10.854 -2.496 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.936 12.609 -2.221 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.814 11.973 -3.447 1.00 0.00 H new ATOM 591 N VAL A 37 1.785 10.693 -2.535 1.00 0.00 N ATOM 592 CA VAL A 37 2.783 9.697 -2.907 1.00 0.00 C ATOM 593 C VAL A 37 4.137 10.429 -2.864 1.00 0.00 C ATOM 594 O VAL A 37 4.638 10.873 -3.899 1.00 0.00 O ATOM 595 CB VAL A 37 2.456 9.063 -4.281 1.00 0.00 C ATOM 596 CG1 VAL A 37 3.429 7.911 -4.577 1.00 0.00 C ATOM 597 CG2 VAL A 37 1.027 8.496 -4.352 1.00 0.00 C ATOM 0 H VAL A 37 1.945 11.592 -2.990 1.00 0.00 H new ATOM 0 HA VAL A 37 2.801 8.849 -2.222 1.00 0.00 H new ATOM 0 HB VAL A 37 2.551 9.864 -5.014 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.190 7.472 -5.546 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.450 8.292 -4.594 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.338 7.150 -3.802 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.855 8.065 -5.338 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.904 7.724 -3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.309 9.297 -4.176 1.00 0.00 H new ATOM 607 N PRO A 38 4.723 10.627 -1.669 1.00 0.00 N ATOM 608 CA PRO A 38 5.885 11.491 -1.462 1.00 0.00 C ATOM 609 C PRO A 38 7.214 10.860 -1.927 1.00 0.00 C ATOM 610 O PRO A 38 8.287 11.297 -1.503 1.00 0.00 O ATOM 611 CB PRO A 38 5.861 11.800 0.041 1.00 0.00 C ATOM 612 CG PRO A 38 5.302 10.515 0.645 1.00 0.00 C ATOM 613 CD PRO A 38 4.272 10.080 -0.394 1.00 0.00 C ATOM 0 HA PRO A 38 5.827 12.394 -2.069 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.857 12.026 0.423 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.230 12.660 0.267 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.078 9.763 0.787 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.846 10.690 1.619 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.201 8.993 -0.440 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.280 10.454 -0.139 1.00 0.00 H new ATOM 621 N ASP A 39 7.175 9.830 -2.777 1.00 0.00 N ATOM 622 CA ASP A 39 8.342 9.110 -3.275 1.00 0.00 C ATOM 623 C ASP A 39 8.086 8.739 -4.732 1.00 0.00 C ATOM 624 O ASP A 39 7.203 7.931 -5.025 1.00 0.00 O ATOM 625 CB ASP A 39 8.600 7.853 -2.430 1.00 0.00 C ATOM 626 CG ASP A 39 9.718 6.964 -3.005 1.00 0.00 C ATOM 627 OD1 ASP A 39 10.475 7.410 -3.897 1.00 0.00 O ATOM 628 OD2 ASP A 39 9.850 5.809 -2.541 1.00 0.00 O ATOM 0 H ASP A 39 6.298 9.465 -3.148 1.00 0.00 H new ATOM 0 HA ASP A 39 9.229 9.740 -3.204 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.865 8.151 -1.416 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.680 7.272 -2.361 1.00 0.00 H new ATOM 633 N LYS A 40 8.855 9.335 -5.649 1.00 0.00 N ATOM 634 CA LYS A 40 8.721 9.102 -7.086 1.00 0.00 C ATOM 635 C LYS A 40 8.941 7.643 -7.498 1.00 0.00 C ATOM 636 O LYS A 40 8.543 7.272 -8.603 1.00 0.00 O ATOM 637 CB LYS A 40 9.642 10.054 -7.870 1.00 0.00 C ATOM 638 CG LYS A 40 11.151 9.862 -7.594 1.00 0.00 C ATOM 639 CD LYS A 40 11.971 9.725 -8.885 1.00 0.00 C ATOM 640 CE LYS A 40 11.658 8.398 -9.597 1.00 0.00 C ATOM 641 NZ LYS A 40 12.077 8.411 -11.014 1.00 0.00 N ATOM 0 H LYS A 40 9.593 9.997 -5.410 1.00 0.00 H new ATOM 0 HA LYS A 40 7.684 9.319 -7.341 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.461 9.918 -8.936 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.370 11.082 -7.629 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.523 10.710 -7.019 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.295 8.973 -6.980 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.751 10.560 -9.550 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.035 9.775 -8.652 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.162 7.582 -9.079 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.588 8.200 -9.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.698 7.571 -11.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.713 9.269 -11.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.116 8.403 -11.069 1.00 0.00 H new ATOM 655 N ASN A 41 9.605 6.833 -6.667 1.00 0.00 N ATOM 656 CA ASN A 41 9.855 5.422 -6.951 1.00 0.00 C ATOM 657 C ASN A 41 8.617 4.559 -6.672 1.00 0.00 C ATOM 658 O ASN A 41 8.537 3.433 -7.162 1.00 0.00 O ATOM 659 CB ASN A 41 11.033 4.931 -6.095 1.00 0.00 C ATOM 660 CG ASN A 41 11.383 3.470 -6.367 1.00 0.00 C ATOM 661 OD1 ASN A 41 11.884 3.125 -7.433 1.00 0.00 O ATOM 662 ND2 ASN A 41 11.166 2.586 -5.405 1.00 0.00 N ATOM 0 H ASN A 41 9.985 7.143 -5.773 1.00 0.00 H new ATOM 0 HA ASN A 41 10.095 5.327 -8.010 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.906 5.553 -6.292 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.787 5.052 -5.040 1.00 0.00 H new ATOM 0 HD21 ASN A 41 11.416 1.607 -5.546 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.749 2.884 -4.523 1.00 0.00 H new ATOM 669 N ASP A 42 7.668 5.039 -5.862 1.00 0.00 N ATOM 670 CA ASP A 42 6.530 4.225 -5.434 1.00 0.00 C ATOM 671 C ASP A 42 5.505 4.066 -6.563 1.00 0.00 C ATOM 672 O ASP A 42 5.353 4.960 -7.401 1.00 0.00 O ATOM 673 CB ASP A 42 5.876 4.828 -4.188 1.00 0.00 C ATOM 674 CG ASP A 42 4.823 3.877 -3.602 1.00 0.00 C ATOM 675 OD1 ASP A 42 5.038 2.644 -3.654 1.00 0.00 O ATOM 676 OD2 ASP A 42 3.815 4.364 -3.047 1.00 0.00 O ATOM 0 H ASP A 42 7.667 5.989 -5.490 1.00 0.00 H new ATOM 0 HA ASP A 42 6.903 3.232 -5.182 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.639 5.037 -3.438 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.410 5.780 -4.443 1.00 0.00 H new ATOM 681 N THR A 43 4.810 2.929 -6.602 1.00 0.00 N ATOM 682 CA THR A 43 3.873 2.589 -7.666 1.00 0.00 C ATOM 683 C THR A 43 2.593 3.420 -7.518 1.00 0.00 C ATOM 684 O THR A 43 2.119 3.642 -6.399 1.00 0.00 O ATOM 685 CB THR A 43 3.538 1.083 -7.622 1.00 0.00 C ATOM 686 OG1 THR A 43 4.584 0.306 -7.067 1.00 0.00 O ATOM 687 CG2 THR A 43 3.216 0.538 -9.017 1.00 0.00 C ATOM 0 H THR A 43 4.885 2.209 -5.883 1.00 0.00 H new ATOM 0 HA THR A 43 4.333 2.815 -8.628 1.00 0.00 H new ATOM 0 HB THR A 43 2.662 0.999 -6.979 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.322 -0.638 -7.060 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.985 -0.525 -8.948 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.357 1.070 -9.426 1.00 0.00 H new ATOM 0 HG23 THR A 43 4.076 0.681 -9.671 1.00 0.00 H new ATOM 695 N VAL A 44 1.978 3.807 -8.638 1.00 0.00 N ATOM 696 CA VAL A 44 0.700 4.508 -8.662 1.00 0.00 C ATOM 697 C VAL A 44 -0.124 3.903 -9.797 1.00 0.00 C ATOM 698 O VAL A 44 0.408 3.611 -10.870 1.00 0.00 O ATOM 699 CB VAL A 44 0.909 6.031 -8.859 1.00 0.00 C ATOM 700 CG1 VAL A 44 -0.402 6.800 -8.625 1.00 0.00 C ATOM 701 CG2 VAL A 44 1.965 6.626 -7.915 1.00 0.00 C ATOM 0 H VAL A 44 2.364 3.637 -9.567 1.00 0.00 H new ATOM 0 HA VAL A 44 0.176 4.391 -7.714 1.00 0.00 H new ATOM 0 HB VAL A 44 1.254 6.141 -9.887 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.229 7.866 -8.769 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.157 6.456 -9.332 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.751 6.623 -7.608 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.062 7.695 -8.105 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.659 6.468 -6.881 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.924 6.138 -8.088 1.00 0.00 H new ATOM 711 N LYS A 45 -1.428 3.745 -9.584 1.00 0.00 N ATOM 712 CA LYS A 45 -2.376 3.338 -10.608 1.00 0.00 C ATOM 713 C LYS A 45 -3.412 4.441 -10.719 1.00 0.00 C ATOM 714 O LYS A 45 -3.880 4.958 -9.701 1.00 0.00 O ATOM 715 CB LYS A 45 -2.989 1.973 -10.255 1.00 0.00 C ATOM 716 CG LYS A 45 -1.996 0.856 -10.609 1.00 0.00 C ATOM 717 CD LYS A 45 -2.478 -0.527 -10.164 1.00 0.00 C ATOM 718 CE LYS A 45 -1.462 -1.578 -10.637 1.00 0.00 C ATOM 719 NZ LYS A 45 -1.652 -2.889 -9.973 1.00 0.00 N ATOM 0 H LYS A 45 -1.861 3.901 -8.673 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.893 3.204 -11.576 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.231 1.935 -9.193 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.922 1.830 -10.800 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.832 0.850 -11.687 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.035 1.069 -10.142 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.580 -0.561 -9.079 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.462 -0.737 -10.583 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.550 -1.705 -11.716 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.452 -1.217 -10.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.228 -3.638 -10.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.193 -2.875 -9.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.669 -3.075 -9.856 1.00 0.00 H new ATOM 733 N VAL A 46 -3.759 4.805 -11.949 1.00 0.00 N ATOM 734 CA VAL A 46 -4.679 5.893 -12.237 1.00 0.00 C ATOM 735 C VAL A 46 -5.750 5.386 -13.195 1.00 0.00 C ATOM 736 O VAL A 46 -5.474 4.563 -14.074 1.00 0.00 O ATOM 737 CB VAL A 46 -3.924 7.140 -12.760 1.00 0.00 C ATOM 738 CG1 VAL A 46 -3.113 7.818 -11.646 1.00 0.00 C ATOM 739 CG2 VAL A 46 -2.957 6.846 -13.921 1.00 0.00 C ATOM 0 H VAL A 46 -3.402 4.343 -12.785 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.175 6.221 -11.324 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.715 7.796 -13.125 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.597 8.689 -12.050 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.784 8.133 -10.847 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.381 7.114 -11.249 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.468 7.770 -14.230 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.204 6.128 -13.595 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.513 6.431 -14.762 1.00 0.00 H new ATOM 749 N TYR A 47 -6.976 5.870 -13.029 1.00 0.00 N ATOM 750 CA TYR A 47 -8.114 5.566 -13.884 1.00 0.00 C ATOM 751 C TYR A 47 -9.053 6.771 -13.859 1.00 0.00 C ATOM 752 O TYR A 47 -8.896 7.665 -13.021 1.00 0.00 O ATOM 753 CB TYR A 47 -8.823 4.289 -13.412 1.00 0.00 C ATOM 754 CG TYR A 47 -9.568 4.423 -12.097 1.00 0.00 C ATOM 755 CD1 TYR A 47 -8.874 4.306 -10.878 1.00 0.00 C ATOM 756 CD2 TYR A 47 -10.951 4.697 -12.099 1.00 0.00 C ATOM 757 CE1 TYR A 47 -9.554 4.473 -9.660 1.00 0.00 C ATOM 758 CE2 TYR A 47 -11.637 4.868 -10.886 1.00 0.00 C ATOM 759 CZ TYR A 47 -10.939 4.757 -9.664 1.00 0.00 C ATOM 760 OH TYR A 47 -11.612 4.922 -8.494 1.00 0.00 O ATOM 0 H TYR A 47 -7.211 6.507 -12.268 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.784 5.380 -14.906 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.528 3.976 -14.182 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.083 3.494 -13.315 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.816 4.087 -10.879 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.484 4.775 -13.035 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -9.021 4.385 -8.725 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.695 5.084 -10.888 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.005 5.284 -7.815 1.00 0.00 H new ATOM 770 N CYS A 48 -10.005 6.811 -14.791 1.00 0.00 N ATOM 771 CA CYS A 48 -10.987 7.878 -14.916 1.00 0.00 C ATOM 772 C CYS A 48 -12.065 7.457 -15.920 1.00 0.00 C ATOM 773 O CYS A 48 -12.043 6.336 -16.438 1.00 0.00 O ATOM 774 CB CYS A 48 -10.274 9.162 -15.382 1.00 0.00 C ATOM 775 SG CYS A 48 -9.398 8.879 -16.939 1.00 0.00 S ATOM 0 H CYS A 48 -10.114 6.082 -15.496 1.00 0.00 H new ATOM 0 HA CYS A 48 -11.465 8.070 -13.955 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -11.003 9.963 -15.509 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.570 9.491 -14.618 1.00 0.00 H new ATOM 0 HG CYS A 48 -10.239 8.947 -17.928 1.00 0.00 H new ATOM 781 N ASN A 49 -12.990 8.366 -16.241 1.00 0.00 N ATOM 782 CA ASN A 49 -13.910 8.181 -17.357 1.00 0.00 C ATOM 783 C ASN A 49 -13.108 8.173 -18.664 1.00 0.00 C ATOM 784 O ASN A 49 -12.365 9.121 -18.936 1.00 0.00 O ATOM 785 CB ASN A 49 -14.965 9.298 -17.382 1.00 0.00 C ATOM 786 CG ASN A 49 -15.859 9.168 -18.610 1.00 0.00 C ATOM 787 OD1 ASN A 49 -15.759 9.954 -19.548 1.00 0.00 O ATOM 788 ND2 ASN A 49 -16.715 8.159 -18.647 1.00 0.00 N ATOM 0 H ASN A 49 -13.119 9.243 -15.736 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.433 7.232 -17.242 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.572 9.252 -16.478 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.472 10.270 -17.386 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.308 8.023 -19.466 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.782 7.518 -17.857 1.00 0.00 H new ATOM 795 N ALA A 50 -13.276 7.108 -19.456 1.00 0.00 N ATOM 796 CA ALA A 50 -12.658 6.861 -20.761 1.00 0.00 C ATOM 797 C ALA A 50 -11.121 6.981 -20.806 1.00 0.00 C ATOM 798 O ALA A 50 -10.554 7.116 -21.891 1.00 0.00 O ATOM 799 CB ALA A 50 -13.353 7.719 -21.827 1.00 0.00 C ATOM 0 H ALA A 50 -13.891 6.342 -19.181 1.00 0.00 H new ATOM 0 HA ALA A 50 -12.818 5.805 -20.980 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.893 7.536 -22.798 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -14.411 7.459 -21.871 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -13.249 8.773 -21.570 1.00 0.00 H new ATOM 805 N GLY A 51 -10.427 6.937 -19.663 1.00 0.00 N ATOM 806 CA GLY A 51 -8.966 6.870 -19.598 1.00 0.00 C ATOM 807 C GLY A 51 -8.235 8.173 -19.959 1.00 0.00 C ATOM 808 O GLY A 51 -7.025 8.247 -19.747 1.00 0.00 O ATOM 0 H GLY A 51 -10.872 6.947 -18.745 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.676 6.577 -18.589 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.624 6.082 -20.269 1.00 0.00 H new ATOM 812 N ARG A 52 -8.921 9.214 -20.462 1.00 0.00 N ATOM 813 CA ARG A 52 -8.282 10.443 -20.968 1.00 0.00 C ATOM 814 C ARG A 52 -7.411 11.085 -19.906 1.00 0.00 C ATOM 815 O ARG A 52 -6.233 11.348 -20.131 1.00 0.00 O ATOM 816 CB ARG A 52 -9.313 11.489 -21.441 1.00 0.00 C ATOM 817 CG ARG A 52 -10.452 10.982 -22.346 1.00 0.00 C ATOM 818 CD ARG A 52 -11.507 12.076 -22.591 1.00 0.00 C ATOM 819 NE ARG A 52 -12.142 12.523 -21.332 1.00 0.00 N ATOM 820 CZ ARG A 52 -13.284 12.079 -20.789 1.00 0.00 C ATOM 821 NH1 ARG A 52 -14.076 11.228 -21.430 1.00 0.00 N ATOM 822 NH2 ARG A 52 -13.617 12.494 -19.573 1.00 0.00 N ATOM 0 H ARG A 52 -9.939 9.227 -20.530 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.674 10.134 -21.818 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.759 11.949 -20.559 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.779 12.275 -21.975 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -10.041 10.652 -23.300 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.926 10.115 -21.886 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.039 12.928 -23.084 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -12.272 11.697 -23.269 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.653 13.255 -20.817 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.821 10.896 -22.360 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -14.940 10.907 -20.993 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -13.008 13.139 -19.070 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -14.482 12.168 -19.142 1.00 0.00 H new ATOM 836 N GLN A 53 -8.004 11.324 -18.740 1.00 0.00 N ATOM 837 CA GLN A 53 -7.359 12.029 -17.650 1.00 0.00 C ATOM 838 C GLN A 53 -6.184 11.209 -17.105 1.00 0.00 C ATOM 839 O GLN A 53 -5.215 11.792 -16.638 1.00 0.00 O ATOM 840 CB GLN A 53 -8.375 12.397 -16.546 1.00 0.00 C ATOM 841 CG GLN A 53 -9.488 13.399 -16.942 1.00 0.00 C ATOM 842 CD GLN A 53 -10.576 12.850 -17.882 1.00 0.00 C ATOM 843 OE1 GLN A 53 -11.113 13.566 -18.722 1.00 0.00 O ATOM 844 NE2 GLN A 53 -10.934 11.573 -17.797 1.00 0.00 N ATOM 0 H GLN A 53 -8.957 11.028 -18.528 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.956 12.967 -18.031 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.849 11.479 -16.198 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.826 12.812 -15.701 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.968 13.759 -16.032 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -9.022 14.261 -17.419 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.497 10.966 -17.104 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.646 11.200 -18.425 1.00 0.00 H new ATOM 853 N SER A 54 -6.226 9.879 -17.200 1.00 0.00 N ATOM 854 CA SER A 54 -5.147 8.997 -16.769 1.00 0.00 C ATOM 855 C SER A 54 -3.994 9.027 -17.764 1.00 0.00 C ATOM 856 O SER A 54 -2.847 9.202 -17.356 1.00 0.00 O ATOM 857 CB SER A 54 -5.686 7.577 -16.626 1.00 0.00 C ATOM 858 OG SER A 54 -6.827 7.588 -15.793 1.00 0.00 O ATOM 0 H SER A 54 -7.027 9.378 -17.586 1.00 0.00 H new ATOM 0 HA SER A 54 -4.769 9.342 -15.807 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.942 7.173 -17.606 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.920 6.927 -16.203 1.00 0.00 H new ATOM 0 HG SER A 54 -7.619 7.810 -16.326 1.00 0.00 H new ATOM 864 N GLY A 55 -4.289 8.926 -19.064 1.00 0.00 N ATOM 865 CA GLY A 55 -3.298 9.103 -20.114 1.00 0.00 C ATOM 866 C GLY A 55 -2.623 10.462 -19.965 1.00 0.00 C ATOM 867 O GLY A 55 -1.397 10.557 -20.023 1.00 0.00 O ATOM 0 H GLY A 55 -5.225 8.719 -19.412 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.553 8.309 -20.061 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.774 9.029 -21.092 1.00 0.00 H new ATOM 871 N GLN A 56 -3.414 11.504 -19.691 1.00 0.00 N ATOM 872 CA GLN A 56 -2.903 12.841 -19.502 1.00 0.00 C ATOM 873 C GLN A 56 -2.046 12.940 -18.234 1.00 0.00 C ATOM 874 O GLN A 56 -0.994 13.583 -18.254 1.00 0.00 O ATOM 875 CB GLN A 56 -4.081 13.826 -19.468 1.00 0.00 C ATOM 876 CG GLN A 56 -3.631 15.289 -19.617 1.00 0.00 C ATOM 877 CD GLN A 56 -2.682 15.531 -20.795 1.00 0.00 C ATOM 878 OE1 GLN A 56 -3.106 15.803 -21.916 1.00 0.00 O ATOM 879 NE2 GLN A 56 -1.383 15.408 -20.568 1.00 0.00 N ATOM 0 H GLN A 56 -4.427 11.431 -19.596 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.250 13.097 -20.336 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.779 13.581 -20.269 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.621 13.709 -18.528 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.512 15.919 -19.738 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -3.139 15.603 -18.696 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.048 15.182 -19.631 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.717 15.539 -21.330 1.00 0.00 H new ATOM 888 N ALA A 57 -2.484 12.312 -17.138 1.00 0.00 N ATOM 889 CA ALA A 57 -1.782 12.337 -15.865 1.00 0.00 C ATOM 890 C ALA A 57 -0.438 11.613 -15.962 1.00 0.00 C ATOM 891 O ALA A 57 0.522 12.050 -15.333 1.00 0.00 O ATOM 892 CB ALA A 57 -2.655 11.745 -14.750 1.00 0.00 C ATOM 0 H ALA A 57 -3.346 11.768 -17.117 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.577 13.377 -15.613 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.110 11.774 -13.807 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.571 12.328 -14.657 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.905 10.712 -14.993 1.00 0.00 H new ATOM 898 N LYS A 58 -0.314 10.551 -16.769 1.00 0.00 N ATOM 899 CA LYS A 58 0.989 9.917 -16.979 1.00 0.00 C ATOM 900 C LYS A 58 2.006 10.926 -17.509 1.00 0.00 C ATOM 901 O LYS A 58 3.162 10.866 -17.092 1.00 0.00 O ATOM 902 CB LYS A 58 0.897 8.701 -17.914 1.00 0.00 C ATOM 903 CG LYS A 58 0.243 7.481 -17.242 1.00 0.00 C ATOM 904 CD LYS A 58 0.351 6.206 -18.096 1.00 0.00 C ATOM 905 CE LYS A 58 -0.387 6.331 -19.439 1.00 0.00 C ATOM 906 NZ LYS A 58 -0.179 5.145 -20.311 1.00 0.00 N ATOM 0 H LYS A 58 -1.086 10.121 -17.278 1.00 0.00 H new ATOM 0 HA LYS A 58 1.328 9.556 -16.008 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.324 8.973 -18.801 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.898 8.431 -18.252 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.715 7.307 -16.275 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.808 7.697 -17.049 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.402 5.986 -18.282 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.057 5.363 -17.538 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.453 6.460 -19.254 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.043 7.225 -19.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.696 5.276 -21.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.836 5.035 -20.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.531 4.294 -19.829 1.00 0.00 H new ATOM 920 N GLU A 59 1.610 11.861 -18.380 1.00 0.00 N ATOM 921 CA GLU A 59 2.548 12.842 -18.918 1.00 0.00 C ATOM 922 C GLU A 59 3.035 13.766 -17.800 1.00 0.00 C ATOM 923 O GLU A 59 4.242 13.870 -17.580 1.00 0.00 O ATOM 924 CB GLU A 59 1.941 13.665 -20.066 1.00 0.00 C ATOM 925 CG GLU A 59 1.488 12.810 -21.258 1.00 0.00 C ATOM 926 CD GLU A 59 1.253 13.655 -22.525 1.00 0.00 C ATOM 927 OE1 GLU A 59 0.491 14.648 -22.480 1.00 0.00 O ATOM 928 OE2 GLU A 59 1.827 13.325 -23.589 1.00 0.00 O ATOM 0 H GLU A 59 0.654 11.956 -18.723 1.00 0.00 H new ATOM 0 HA GLU A 59 3.393 12.293 -19.332 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.088 14.228 -19.688 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.676 14.393 -20.409 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.241 12.050 -21.465 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.569 12.285 -20.998 1.00 0.00 H new ATOM 935 N ILE A 60 2.121 14.412 -17.063 1.00 0.00 N ATOM 936 CA ILE A 60 2.510 15.399 -16.061 1.00 0.00 C ATOM 937 C ILE A 60 3.294 14.730 -14.924 1.00 0.00 C ATOM 938 O ILE A 60 4.246 15.311 -14.411 1.00 0.00 O ATOM 939 CB ILE A 60 1.284 16.208 -15.572 1.00 0.00 C ATOM 940 CG1 ILE A 60 0.396 15.403 -14.598 1.00 0.00 C ATOM 941 CG2 ILE A 60 0.499 16.770 -16.777 1.00 0.00 C ATOM 942 CD1 ILE A 60 -0.971 16.005 -14.276 1.00 0.00 C ATOM 0 H ILE A 60 1.115 14.266 -17.145 1.00 0.00 H new ATOM 0 HA ILE A 60 3.184 16.125 -16.516 1.00 0.00 H new ATOM 0 HB ILE A 60 1.647 17.056 -14.991 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.242 14.409 -15.017 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.942 15.274 -13.664 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.361 17.337 -16.419 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.147 17.424 -17.361 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.155 15.947 -17.403 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.502 15.352 -13.584 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.838 16.986 -13.820 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.549 16.107 -15.194 1.00 0.00 H new ATOM 954 N LEU A 61 2.947 13.491 -14.560 1.00 0.00 N ATOM 955 CA LEU A 61 3.641 12.760 -13.510 1.00 0.00 C ATOM 956 C LEU A 61 5.036 12.349 -13.972 1.00 0.00 C ATOM 957 O LEU A 61 5.967 12.400 -13.166 1.00 0.00 O ATOM 958 CB LEU A 61 2.813 11.542 -13.070 1.00 0.00 C ATOM 959 CG LEU A 61 1.517 11.921 -12.322 1.00 0.00 C ATOM 960 CD1 LEU A 61 0.648 10.680 -12.091 1.00 0.00 C ATOM 961 CD2 LEU A 61 1.813 12.582 -10.976 1.00 0.00 C ATOM 0 H LEU A 61 2.179 12.973 -14.987 1.00 0.00 H new ATOM 0 HA LEU A 61 3.759 13.415 -12.647 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.557 10.949 -13.948 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.424 10.910 -12.426 1.00 0.00 H new ATOM 0 HG LEU A 61 0.983 12.635 -12.949 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.261 10.966 -11.562 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.385 10.236 -13.051 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.201 9.954 -11.495 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.875 12.834 -10.480 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.381 11.894 -10.350 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.394 13.490 -11.137 1.00 0.00 H new ATOM 973 N SER A 62 5.216 12.007 -15.251 1.00 0.00 N ATOM 974 CA SER A 62 6.540 11.747 -15.804 1.00 0.00 C ATOM 975 C SER A 62 7.397 13.017 -15.771 1.00 0.00 C ATOM 976 O SER A 62 8.584 12.939 -15.452 1.00 0.00 O ATOM 977 CB SER A 62 6.435 11.197 -17.232 1.00 0.00 C ATOM 978 OG SER A 62 5.665 10.008 -17.269 1.00 0.00 O ATOM 0 H SER A 62 4.455 11.904 -15.922 1.00 0.00 H new ATOM 0 HA SER A 62 7.026 10.992 -15.186 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.982 11.947 -17.881 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.433 10.999 -17.622 1.00 0.00 H new ATOM 0 HG SER A 62 4.756 10.216 -17.572 1.00 0.00 H new ATOM 984 N GLU A 63 6.810 14.189 -16.046 1.00 0.00 N ATOM 985 CA GLU A 63 7.522 15.463 -15.967 1.00 0.00 C ATOM 986 C GLU A 63 7.885 15.798 -14.513 1.00 0.00 C ATOM 987 O GLU A 63 8.982 16.301 -14.263 1.00 0.00 O ATOM 988 CB GLU A 63 6.687 16.590 -16.600 1.00 0.00 C ATOM 989 CG GLU A 63 6.568 16.485 -18.130 1.00 0.00 C ATOM 990 CD GLU A 63 7.914 16.710 -18.844 1.00 0.00 C ATOM 991 OE1 GLU A 63 8.333 17.878 -19.010 1.00 0.00 O ATOM 992 OE2 GLU A 63 8.560 15.725 -19.268 1.00 0.00 O ATOM 0 H GLU A 63 5.834 14.277 -16.328 1.00 0.00 H new ATOM 0 HA GLU A 63 8.450 15.371 -16.530 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.688 16.578 -16.165 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.135 17.550 -16.344 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.180 15.501 -18.394 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.845 17.219 -18.486 1.00 0.00 H new ATOM 999 N MET A 64 7.007 15.493 -13.547 1.00 0.00 N ATOM 1000 CA MET A 64 7.305 15.651 -12.122 1.00 0.00 C ATOM 1001 C MET A 64 8.417 14.687 -11.681 1.00 0.00 C ATOM 1002 O MET A 64 9.229 15.054 -10.829 1.00 0.00 O ATOM 1003 CB MET A 64 6.044 15.452 -11.266 1.00 0.00 C ATOM 1004 CG MET A 64 5.062 16.622 -11.416 1.00 0.00 C ATOM 1005 SD MET A 64 3.542 16.477 -10.434 1.00 0.00 S ATOM 1006 CE MET A 64 4.188 16.874 -8.785 1.00 0.00 C ATOM 0 H MET A 64 6.072 15.130 -13.734 1.00 0.00 H new ATOM 0 HA MET A 64 7.659 16.671 -11.970 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.551 14.524 -11.556 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.328 15.348 -10.219 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.572 17.543 -11.135 1.00 0.00 H new ATOM 0 HG3 MET A 64 4.790 16.716 -12.467 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.378 16.830 -8.057 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.960 16.154 -8.513 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.615 17.877 -8.793 1.00 0.00 H new ATOM 1016 N GLY A 65 8.483 13.487 -12.268 1.00 0.00 N ATOM 1017 CA GLY A 65 9.598 12.554 -12.119 1.00 0.00 C ATOM 1018 C GLY A 65 9.177 11.126 -11.777 1.00 0.00 C ATOM 1019 O GLY A 65 10.051 10.267 -11.650 1.00 0.00 O ATOM 0 H GLY A 65 7.743 13.132 -12.874 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.172 12.540 -13.046 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.263 12.922 -11.338 1.00 0.00 H new ATOM 1023 N TYR A 66 7.883 10.849 -11.593 1.00 0.00 N ATOM 1024 CA TYR A 66 7.400 9.504 -11.295 1.00 0.00 C ATOM 1025 C TYR A 66 7.643 8.604 -12.508 1.00 0.00 C ATOM 1026 O TYR A 66 7.453 9.029 -13.650 1.00 0.00 O ATOM 1027 CB TYR A 66 5.906 9.520 -10.936 1.00 0.00 C ATOM 1028 CG TYR A 66 5.553 10.283 -9.670 1.00 0.00 C ATOM 1029 CD1 TYR A 66 5.377 11.681 -9.704 1.00 0.00 C ATOM 1030 CD2 TYR A 66 5.405 9.594 -8.450 1.00 0.00 C ATOM 1031 CE1 TYR A 66 5.098 12.392 -8.524 1.00 0.00 C ATOM 1032 CE2 TYR A 66 5.130 10.299 -7.264 1.00 0.00 C ATOM 1033 CZ TYR A 66 4.987 11.705 -7.294 1.00 0.00 C ATOM 1034 OH TYR A 66 4.752 12.407 -6.152 1.00 0.00 O ATOM 0 H TYR A 66 7.145 11.551 -11.647 1.00 0.00 H new ATOM 0 HA TYR A 66 7.944 9.117 -10.434 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.353 9.954 -11.769 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.564 8.491 -10.828 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.457 12.209 -10.643 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.503 8.519 -8.425 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.968 13.464 -8.557 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.028 9.766 -6.330 1.00 0.00 H new ATOM 0 HH TYR A 66 4.701 11.789 -5.393 1.00 0.00 H new ATOM 1044 N THR A 67 8.014 7.348 -12.261 1.00 0.00 N ATOM 1045 CA THR A 67 8.402 6.393 -13.304 1.00 0.00 C ATOM 1046 C THR A 67 7.675 5.044 -13.150 1.00 0.00 C ATOM 1047 O THR A 67 8.012 4.076 -13.834 1.00 0.00 O ATOM 1048 CB THR A 67 9.944 6.273 -13.317 1.00 0.00 C ATOM 1049 OG1 THR A 67 10.490 6.291 -12.006 1.00 0.00 O ATOM 1050 CG2 THR A 67 10.575 7.457 -14.057 1.00 0.00 C ATOM 0 H THR A 67 8.055 6.958 -11.319 1.00 0.00 H new ATOM 0 HA THR A 67 8.085 6.760 -14.280 1.00 0.00 H new ATOM 0 HB THR A 67 10.164 5.326 -13.809 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.505 5.380 -11.645 1.00 0.00 H new ATOM 0 HG21 THR A 67 11.660 7.352 -14.054 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.215 7.476 -15.086 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.299 8.386 -13.559 1.00 0.00 H new ATOM 1058 N HIS A 68 6.665 4.978 -12.270 1.00 0.00 N ATOM 1059 CA HIS A 68 5.970 3.747 -11.880 1.00 0.00 C ATOM 1060 C HIS A 68 4.455 3.988 -11.834 1.00 0.00 C ATOM 1061 O HIS A 68 3.745 3.434 -10.993 1.00 0.00 O ATOM 1062 CB HIS A 68 6.541 3.232 -10.545 1.00 0.00 C ATOM 1063 CG HIS A 68 8.047 3.122 -10.546 1.00 0.00 C ATOM 1064 ND1 HIS A 68 8.803 2.065 -11.003 1.00 0.00 N ATOM 1065 CD2 HIS A 68 8.917 4.126 -10.219 1.00 0.00 C ATOM 1066 CE1 HIS A 68 10.096 2.430 -10.955 1.00 0.00 C ATOM 1067 NE2 HIS A 68 10.218 3.689 -10.492 1.00 0.00 N ATOM 0 H HIS A 68 6.300 5.805 -11.797 1.00 0.00 H new ATOM 0 HA HIS A 68 6.138 2.967 -12.623 1.00 0.00 H new ATOM 0 HB2 HIS A 68 6.232 3.902 -9.743 1.00 0.00 H new ATOM 0 HB3 HIS A 68 6.112 2.254 -10.327 1.00 0.00 H new ATOM 0 HD1 HIS A 68 8.445 1.165 -11.322 1.00 0.00 H new ATOM 0 HD2 HIS A 68 8.646 5.092 -9.818 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.923 1.800 -11.247 1.00 0.00 H new ATOM 1075 N VAL A 69 3.972 4.868 -12.713 1.00 0.00 N ATOM 1076 CA VAL A 69 2.553 5.133 -12.904 1.00 0.00 C ATOM 1077 C VAL A 69 2.052 4.145 -13.965 1.00 0.00 C ATOM 1078 O VAL A 69 2.752 3.891 -14.950 1.00 0.00 O ATOM 1079 CB VAL A 69 2.333 6.600 -13.340 1.00 0.00 C ATOM 1080 CG1 VAL A 69 0.840 6.964 -13.326 1.00 0.00 C ATOM 1081 CG2 VAL A 69 3.076 7.597 -12.434 1.00 0.00 C ATOM 0 H VAL A 69 4.572 5.425 -13.322 1.00 0.00 H new ATOM 0 HA VAL A 69 1.996 4.998 -11.977 1.00 0.00 H new ATOM 0 HB VAL A 69 2.731 6.673 -14.352 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.715 8.001 -13.637 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.300 6.312 -14.013 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.444 6.837 -12.318 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.890 8.613 -12.782 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.719 7.493 -11.409 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.146 7.392 -12.468 1.00 0.00 H new ATOM 1091 N GLU A 70 0.836 3.624 -13.805 1.00 0.00 N ATOM 1092 CA GLU A 70 0.163 2.786 -14.790 1.00 0.00 C ATOM 1093 C GLU A 70 -1.288 3.248 -14.895 1.00 0.00 C ATOM 1094 O GLU A 70 -1.908 3.586 -13.884 1.00 0.00 O ATOM 1095 CB GLU A 70 0.210 1.307 -14.366 1.00 0.00 C ATOM 1096 CG GLU A 70 1.623 0.709 -14.384 1.00 0.00 C ATOM 1097 CD GLU A 70 1.597 -0.799 -14.082 1.00 0.00 C ATOM 1098 OE1 GLU A 70 1.582 -1.190 -12.893 1.00 0.00 O ATOM 1099 OE2 GLU A 70 1.611 -1.614 -15.034 1.00 0.00 O ATOM 0 H GLU A 70 0.280 3.779 -12.964 1.00 0.00 H new ATOM 0 HA GLU A 70 0.664 2.877 -15.754 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.203 1.212 -13.362 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.430 0.726 -15.030 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.079 0.879 -15.359 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.245 1.219 -13.648 1.00 0.00 H new ATOM 1106 N ASN A 71 -1.853 3.254 -16.106 1.00 0.00 N ATOM 1107 CA ASN A 71 -3.289 3.445 -16.263 1.00 0.00 C ATOM 1108 C ASN A 71 -3.947 2.080 -16.080 1.00 0.00 C ATOM 1109 O ASN A 71 -3.746 1.190 -16.908 1.00 0.00 O ATOM 1110 CB ASN A 71 -3.658 4.059 -17.621 1.00 0.00 C ATOM 1111 CG ASN A 71 -5.168 3.998 -17.871 1.00 0.00 C ATOM 1112 OD1 ASN A 71 -5.609 3.580 -18.935 1.00 0.00 O ATOM 1113 ND2 ASN A 71 -5.995 4.384 -16.909 1.00 0.00 N ATOM 0 H ASN A 71 -1.341 3.130 -16.980 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.646 4.155 -15.517 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.324 5.096 -17.656 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.134 3.528 -18.416 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.004 4.334 -17.053 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.623 4.731 -16.025 1.00 0.00 H new ATOM 1120 N ALA A 72 -4.708 1.909 -14.997 1.00 0.00 N ATOM 1121 CA ALA A 72 -5.388 0.651 -14.708 1.00 0.00 C ATOM 1122 C ALA A 72 -6.486 0.349 -15.739 1.00 0.00 C ATOM 1123 O ALA A 72 -6.766 -0.820 -16.006 1.00 0.00 O ATOM 1124 CB ALA A 72 -5.980 0.700 -13.296 1.00 0.00 C ATOM 0 H ALA A 72 -4.868 2.637 -14.300 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.655 -0.154 -14.769 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.488 -0.240 -13.081 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.180 0.854 -12.571 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.694 1.521 -13.229 1.00 0.00 H new ATOM 1130 N GLY A 73 -7.106 1.386 -16.312 1.00 0.00 N ATOM 1131 CA GLY A 73 -8.195 1.276 -17.272 1.00 0.00 C ATOM 1132 C GLY A 73 -9.127 2.470 -17.123 1.00 0.00 C ATOM 1133 O GLY A 73 -8.682 3.565 -16.766 1.00 0.00 O ATOM 0 H GLY A 73 -6.851 2.353 -16.110 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.797 1.236 -18.286 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.745 0.349 -17.109 1.00 0.00 H new ATOM 1137 N GLY A 74 -10.417 2.252 -17.370 1.00 0.00 N ATOM 1138 CA GLY A 74 -11.466 3.236 -17.151 1.00 0.00 C ATOM 1139 C GLY A 74 -12.575 2.635 -16.296 1.00 0.00 C ATOM 1140 O GLY A 74 -12.610 1.421 -16.086 1.00 0.00 O ATOM 0 H GLY A 74 -10.766 1.366 -17.736 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.053 4.116 -16.659 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.871 3.566 -18.107 1.00 0.00 H new ATOM 1144 N LEU A 75 -13.481 3.490 -15.815 1.00 0.00 N ATOM 1145 CA LEU A 75 -14.490 3.180 -14.793 1.00 0.00 C ATOM 1146 C LEU A 75 -15.203 1.835 -14.986 1.00 0.00 C ATOM 1147 O LEU A 75 -15.310 1.053 -14.039 1.00 0.00 O ATOM 1148 CB LEU A 75 -15.515 4.332 -14.760 1.00 0.00 C ATOM 1149 CG LEU A 75 -16.628 4.174 -13.699 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -16.049 4.192 -12.279 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -17.643 5.301 -13.907 1.00 0.00 C ATOM 0 H LEU A 75 -13.536 4.456 -16.138 1.00 0.00 H new ATOM 0 HA LEU A 75 -13.965 3.083 -13.843 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.985 5.267 -14.575 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.978 4.417 -15.743 1.00 0.00 H new ATOM 0 HG LEU A 75 -17.121 3.209 -13.817 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -16.856 4.079 -11.555 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -15.341 3.371 -12.164 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -15.537 5.139 -12.107 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -18.441 5.213 -13.170 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -17.146 6.264 -13.791 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -18.066 5.230 -14.909 1.00 0.00 H new ATOM 1163 N LYS A 76 -15.717 1.579 -16.193 1.00 0.00 N ATOM 1164 CA LYS A 76 -16.510 0.380 -16.476 1.00 0.00 C ATOM 1165 C LYS A 76 -15.636 -0.770 -16.976 1.00 0.00 C ATOM 1166 O LYS A 76 -16.032 -1.929 -16.845 1.00 0.00 O ATOM 1167 CB LYS A 76 -17.606 0.701 -17.510 1.00 0.00 C ATOM 1168 CG LYS A 76 -18.604 1.795 -17.085 1.00 0.00 C ATOM 1169 CD LYS A 76 -19.376 1.460 -15.798 1.00 0.00 C ATOM 1170 CE LYS A 76 -20.507 2.478 -15.591 1.00 0.00 C ATOM 1171 NZ LYS A 76 -21.304 2.200 -14.372 1.00 0.00 N ATOM 0 H LYS A 76 -15.596 2.194 -16.997 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.975 0.062 -15.543 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -17.128 1.008 -18.440 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -18.161 -0.212 -17.724 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -18.064 2.731 -16.941 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -19.316 1.959 -17.894 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -19.788 0.453 -15.862 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -18.700 1.475 -14.943 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -20.082 3.480 -15.523 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -21.164 2.469 -16.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -22.251 2.617 -14.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -21.390 1.172 -14.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -20.830 2.616 -13.545 1.00 0.00 H new ATOM 1185 N ASP A 77 -14.466 -0.474 -17.548 1.00 0.00 N ATOM 1186 CA ASP A 77 -13.527 -1.493 -18.015 1.00 0.00 C ATOM 1187 C ASP A 77 -12.892 -2.218 -16.826 1.00 0.00 C ATOM 1188 O ASP A 77 -12.707 -3.435 -16.867 1.00 0.00 O ATOM 1189 CB ASP A 77 -12.434 -0.853 -18.877 1.00 0.00 C ATOM 1190 CG ASP A 77 -11.384 -1.893 -19.299 1.00 0.00 C ATOM 1191 OD1 ASP A 77 -11.683 -2.741 -20.170 1.00 0.00 O ATOM 1192 OD2 ASP A 77 -10.246 -1.844 -18.784 1.00 0.00 O ATOM 0 H ASP A 77 -14.144 0.482 -17.700 1.00 0.00 H new ATOM 0 HA ASP A 77 -14.076 -2.217 -18.618 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -12.882 -0.403 -19.763 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -11.952 -0.049 -18.321 1.00 0.00 H new ATOM 1197 N ILE A 78 -12.596 -1.480 -15.752 1.00 0.00 N ATOM 1198 CA ILE A 78 -12.118 -2.024 -14.490 1.00 0.00 C ATOM 1199 C ILE A 78 -13.297 -2.772 -13.856 1.00 0.00 C ATOM 1200 O ILE A 78 -14.295 -2.157 -13.475 1.00 0.00 O ATOM 1201 CB ILE A 78 -11.555 -0.880 -13.610 1.00 0.00 C ATOM 1202 CG1 ILE A 78 -10.295 -0.268 -14.268 1.00 0.00 C ATOM 1203 CG2 ILE A 78 -11.213 -1.390 -12.197 1.00 0.00 C ATOM 1204 CD1 ILE A 78 -9.889 1.078 -13.661 1.00 0.00 C ATOM 0 H ILE A 78 -12.686 -0.464 -15.742 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.294 -2.725 -14.618 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.323 -0.111 -13.523 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.466 -0.968 -14.170 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.477 -0.138 -15.335 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.820 -0.568 -11.599 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.113 -1.784 -11.725 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.464 -2.179 -12.266 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.999 1.452 -14.167 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -10.703 1.793 -13.783 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.675 0.949 -12.600 1.00 0.00 H new ATOM 1216 N ALA A 79 -13.184 -4.098 -13.743 1.00 0.00 N ATOM 1217 CA ALA A 79 -14.244 -4.963 -13.227 1.00 0.00 C ATOM 1218 C ALA A 79 -14.401 -4.886 -11.698 1.00 0.00 C ATOM 1219 O ALA A 79 -15.346 -5.465 -11.156 1.00 0.00 O ATOM 1220 CB ALA A 79 -13.960 -6.408 -13.659 1.00 0.00 C ATOM 0 H ALA A 79 -12.341 -4.606 -14.012 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.187 -4.613 -13.646 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.745 -7.062 -13.279 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.936 -6.464 -14.747 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.998 -6.725 -13.258 1.00 0.00 H new ATOM 1226 N MET A 80 -13.478 -4.218 -10.994 1.00 0.00 N ATOM 1227 CA MET A 80 -13.516 -4.073 -9.537 1.00 0.00 C ATOM 1228 C MET A 80 -14.798 -3.340 -9.100 1.00 0.00 C ATOM 1229 O MET A 80 -15.308 -2.509 -9.866 1.00 0.00 O ATOM 1230 CB MET A 80 -12.273 -3.310 -9.045 1.00 0.00 C ATOM 1231 CG MET A 80 -10.966 -4.073 -9.296 1.00 0.00 C ATOM 1232 SD MET A 80 -9.453 -3.148 -8.907 1.00 0.00 S ATOM 1233 CE MET A 80 -9.585 -2.985 -7.104 1.00 0.00 C ATOM 0 H MET A 80 -12.676 -3.759 -11.427 1.00 0.00 H new ATOM 0 HA MET A 80 -13.517 -5.068 -9.091 1.00 0.00 H new ATOM 0 HB2 MET A 80 -12.225 -2.343 -9.545 1.00 0.00 H new ATOM 0 HB3 MET A 80 -12.373 -3.112 -7.978 1.00 0.00 H new ATOM 0 HG2 MET A 80 -10.977 -4.988 -8.704 1.00 0.00 H new ATOM 0 HG3 MET A 80 -10.932 -4.372 -10.344 1.00 0.00 H new ATOM 0 HE1 MET A 80 -8.689 -2.500 -6.716 1.00 0.00 H new ATOM 0 HE2 MET A 80 -10.460 -2.384 -6.856 1.00 0.00 H new ATOM 0 HE3 MET A 80 -9.685 -3.973 -6.656 1.00 0.00 H new ATOM 1243 N PRO A 81 -15.311 -3.605 -7.883 1.00 0.00 N ATOM 1244 CA PRO A 81 -16.503 -2.945 -7.360 1.00 0.00 C ATOM 1245 C PRO A 81 -16.244 -1.457 -7.106 1.00 0.00 C ATOM 1246 O PRO A 81 -15.098 -1.021 -6.954 1.00 0.00 O ATOM 1247 CB PRO A 81 -16.861 -3.696 -6.072 1.00 0.00 C ATOM 1248 CG PRO A 81 -15.519 -4.245 -5.596 1.00 0.00 C ATOM 1249 CD PRO A 81 -14.796 -4.556 -6.905 1.00 0.00 C ATOM 0 HA PRO A 81 -17.329 -2.977 -8.071 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -17.309 -3.033 -5.332 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -17.578 -4.495 -6.259 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.974 -3.516 -4.996 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -15.642 -5.136 -4.980 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.717 -4.452 -6.789 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -14.985 -5.582 -7.221 1.00 0.00 H new ATOM 1257 N LYS A 82 -17.320 -0.672 -7.029 1.00 0.00 N ATOM 1258 CA LYS A 82 -17.262 0.779 -6.897 1.00 0.00 C ATOM 1259 C LYS A 82 -18.352 1.280 -5.952 1.00 0.00 C ATOM 1260 O LYS A 82 -19.369 0.611 -5.760 1.00 0.00 O ATOM 1261 CB LYS A 82 -17.318 1.474 -8.279 1.00 0.00 C ATOM 1262 CG LYS A 82 -18.393 0.996 -9.274 1.00 0.00 C ATOM 1263 CD LYS A 82 -17.951 -0.138 -10.218 1.00 0.00 C ATOM 1264 CE LYS A 82 -16.860 0.311 -11.206 1.00 0.00 C ATOM 1265 NZ LYS A 82 -16.317 -0.825 -11.986 1.00 0.00 N ATOM 0 H LYS A 82 -18.272 -1.037 -7.057 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.302 1.044 -6.454 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -17.465 2.541 -8.113 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -16.344 1.356 -8.754 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -19.264 0.660 -8.711 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -18.712 1.846 -9.877 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -17.579 -0.975 -9.627 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -18.815 -0.500 -10.775 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -17.272 1.055 -11.888 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -16.051 0.794 -10.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.647 -0.469 -12.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.826 -1.482 -11.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -17.096 -1.323 -12.463 1.00 0.00 H new ATOM 1279 N VAL A 83 -18.125 2.459 -5.376 1.00 0.00 N ATOM 1280 CA VAL A 83 -18.967 3.122 -4.384 1.00 0.00 C ATOM 1281 C VAL A 83 -18.989 4.624 -4.697 1.00 0.00 C ATOM 1282 O VAL A 83 -18.096 5.128 -5.387 1.00 0.00 O ATOM 1283 CB VAL A 83 -18.451 2.825 -2.955 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -18.659 1.351 -2.575 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -16.967 3.182 -2.753 1.00 0.00 C ATOM 0 H VAL A 83 -17.297 3.010 -5.604 1.00 0.00 H new ATOM 0 HA VAL A 83 -19.988 2.742 -4.429 1.00 0.00 H new ATOM 0 HB VAL A 83 -19.044 3.466 -2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -18.285 1.179 -1.566 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -19.722 1.112 -2.614 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -18.118 0.715 -3.275 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.673 2.948 -1.730 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -16.356 2.605 -3.447 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.820 4.246 -2.939 1.00 0.00 H new