USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=14 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+ -168:sc= 1.6 (180deg=0.846) USER MOD Set 1.2: A 67 THR OG1 : rot 82:sc= 1.48 USER MOD Set 1.3: A 68 HIS : no HD1:sc= 0.448 K(o=3.5,f=2.3) USER MOD Set 2.1: A 53 GLN : amide:sc= -0.633 X(o=-0.47,f=-0.63) USER MOD Set 2.2: A 56 GLN : amide:sc= 0.164 X(o=-0.47,f=-0.63) USER MOD Set 3.1: A 48 CYS SG : rot 76:sc= 0.12 USER MOD Set 3.2: A 54 SER OG : rot 72:sc= 0.959 USER MOD Set 4.1: A 17 HIS : no HD1:sc= -0.194 X(o=-0.16,f=-0.12) USER MOD Set 4.2: A 47 TYR OH : rot -125:sc= 0.0356 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= 0.484 K(o=0.48,f=-5.5!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0725 X(o=-0.073,f=-0.37) USER MOD Single : A 15 GLN : amide:sc= 0.956 K(o=0.96,f=-0.013) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 23 ASN : amide:sc= -0.336 K(o=-0.34,f=-3.2!) 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= 1.2 K(o=1.2,f=-0.015) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -179:sc= 1.22 (180deg=1.09) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00154) USER MOD Single : A 62 SER OG : rot 80:sc= 1.3 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 166:sc= 1.23 USER MOD Single : A 71 ASN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -132:sc= 0 (180deg=-0.0245) USER MOD Single : A 82 LYS NZ :NH3+ 165:sc= 2.88 (180deg=2.43) USER MOD ----------------------------------------------------------------- ATOM 13 N GLU A 2 1.850 0.173 -4.081 1.00 0.00 N ATOM 14 CA GLU A 2 0.936 0.764 -5.051 1.00 0.00 C ATOM 15 C GLU A 2 -0.140 1.564 -4.319 1.00 0.00 C ATOM 16 O GLU A 2 -0.429 1.302 -3.146 1.00 0.00 O ATOM 17 CB GLU A 2 0.305 -0.327 -5.944 1.00 0.00 C ATOM 18 CG GLU A 2 -0.699 -1.246 -5.221 1.00 0.00 C ATOM 19 CD GLU A 2 -1.246 -2.342 -6.149 1.00 0.00 C ATOM 20 OE1 GLU A 2 -0.559 -3.366 -6.361 1.00 0.00 O ATOM 21 OE2 GLU A 2 -2.370 -2.189 -6.685 1.00 0.00 O ATOM 0 HA GLU A 2 1.494 1.439 -5.701 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.201 0.155 -6.781 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.102 -0.941 -6.364 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -0.214 -1.708 -4.361 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.526 -0.649 -4.838 1.00 0.00 H new ATOM 28 N HIS A 3 -0.778 2.475 -5.050 1.00 0.00 N ATOM 29 CA HIS A 3 -1.986 3.181 -4.657 1.00 0.00 C ATOM 30 C HIS A 3 -2.827 3.335 -5.925 1.00 0.00 C ATOM 31 O HIS A 3 -2.286 3.374 -7.034 1.00 0.00 O ATOM 32 CB HIS A 3 -1.663 4.559 -4.052 1.00 0.00 C ATOM 33 CG HIS A 3 -1.006 4.535 -2.692 1.00 0.00 C ATOM 34 ND1 HIS A 3 -1.519 3.982 -1.537 1.00 0.00 N ATOM 35 CD2 HIS A 3 0.177 5.138 -2.354 1.00 0.00 C ATOM 36 CE1 HIS A 3 -0.657 4.231 -0.537 1.00 0.00 C ATOM 37 NE2 HIS A 3 0.397 4.941 -0.984 1.00 0.00 N ATOM 0 H HIS A 3 -0.448 2.751 -5.975 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.521 2.625 -3.887 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.011 5.095 -4.742 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -2.588 5.130 -3.979 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.829 5.674 -3.028 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -0.791 3.907 0.484 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.193 5.269 -0.437 1.00 0.00 H new ATOM 45 N TRP A 4 -4.145 3.436 -5.755 1.00 0.00 N ATOM 46 CA TRP A 4 -5.094 3.612 -6.844 1.00 0.00 C ATOM 47 C TRP A 4 -5.601 5.041 -6.744 1.00 0.00 C ATOM 48 O TRP A 4 -6.182 5.425 -5.729 1.00 0.00 O ATOM 49 CB TRP A 4 -6.231 2.586 -6.731 1.00 0.00 C ATOM 50 CG TRP A 4 -5.863 1.176 -7.091 1.00 0.00 C ATOM 51 CD1 TRP A 4 -4.980 0.393 -6.430 1.00 0.00 C ATOM 52 CD2 TRP A 4 -6.341 0.363 -8.210 1.00 0.00 C ATOM 53 NE1 TRP A 4 -4.862 -0.826 -7.061 1.00 0.00 N ATOM 54 CE2 TRP A 4 -5.694 -0.910 -8.158 1.00 0.00 C ATOM 55 CE3 TRP A 4 -7.253 0.576 -9.268 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -5.946 -1.918 -9.102 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -7.511 -0.428 -10.221 1.00 0.00 C ATOM 58 CH2 TRP A 4 -6.861 -1.672 -10.141 1.00 0.00 C ATOM 0 H TRP A 4 -4.587 3.396 -4.837 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.632 3.446 -7.817 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -6.606 2.596 -5.708 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -7.051 2.905 -7.374 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -4.445 0.682 -5.537 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -4.238 -1.573 -6.755 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -7.761 1.526 -9.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -5.443 -2.871 -9.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -8.214 -0.241 -11.020 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -7.064 -2.437 -10.876 1.00 0.00 H new ATOM 69 N ILE A 5 -5.343 5.839 -7.772 1.00 0.00 N ATOM 70 CA ILE A 5 -5.616 7.261 -7.790 1.00 0.00 C ATOM 71 C ILE A 5 -6.730 7.461 -8.816 1.00 0.00 C ATOM 72 O ILE A 5 -6.542 7.229 -10.014 1.00 0.00 O ATOM 73 CB ILE A 5 -4.324 8.057 -8.120 1.00 0.00 C ATOM 74 CG1 ILE A 5 -3.316 8.178 -6.950 1.00 0.00 C ATOM 75 CG2 ILE A 5 -4.674 9.493 -8.541 1.00 0.00 C ATOM 76 CD1 ILE A 5 -2.686 6.869 -6.477 1.00 0.00 C ATOM 0 H ILE A 5 -4.926 5.500 -8.639 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.940 7.638 -6.820 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.854 7.482 -8.918 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.517 8.855 -7.252 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.824 8.641 -6.104 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.758 10.039 -8.769 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.311 9.468 -9.425 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.201 9.992 -7.728 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.998 7.072 -5.656 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.468 6.191 -6.136 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.141 6.409 -7.301 1.00 0.00 H new ATOM 88 N ASP A 6 -7.904 7.864 -8.342 1.00 0.00 N ATOM 89 CA ASP A 6 -8.931 8.386 -9.222 1.00 0.00 C ATOM 90 C ASP A 6 -8.440 9.758 -9.696 1.00 0.00 C ATOM 91 O ASP A 6 -8.030 10.576 -8.869 1.00 0.00 O ATOM 92 CB ASP A 6 -10.243 8.559 -8.455 1.00 0.00 C ATOM 93 CG ASP A 6 -11.129 9.555 -9.196 1.00 0.00 C ATOM 94 OD1 ASP A 6 -11.415 9.304 -10.388 1.00 0.00 O ATOM 95 OD2 ASP A 6 -11.461 10.595 -8.586 1.00 0.00 O ATOM 0 H ASP A 6 -8.163 7.838 -7.356 1.00 0.00 H new ATOM 0 HA ASP A 6 -9.110 7.709 -10.057 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.753 7.600 -8.361 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.043 8.914 -7.444 1.00 0.00 H new ATOM 100 N VAL A 7 -8.514 10.031 -10.997 1.00 0.00 N ATOM 101 CA VAL A 7 -8.108 11.308 -11.585 1.00 0.00 C ATOM 102 C VAL A 7 -9.233 11.903 -12.452 1.00 0.00 C ATOM 103 O VAL A 7 -9.023 12.915 -13.127 1.00 0.00 O ATOM 104 CB VAL A 7 -6.699 11.143 -12.221 1.00 0.00 C ATOM 105 CG1 VAL A 7 -6.587 9.978 -13.216 1.00 0.00 C ATOM 106 CG2 VAL A 7 -6.073 12.380 -12.856 1.00 0.00 C ATOM 0 H VAL A 7 -8.863 9.362 -11.683 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.974 12.087 -10.835 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.120 10.925 -11.324 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.573 9.934 -13.612 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -6.819 9.042 -12.708 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.290 10.130 -14.035 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.093 12.125 -13.260 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.715 12.741 -13.660 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.963 13.160 -12.102 1.00 0.00 H new ATOM 116 N ARG A 8 -10.452 11.336 -12.416 1.00 0.00 N ATOM 117 CA ARG A 8 -11.612 11.964 -13.059 1.00 0.00 C ATOM 118 C ARG A 8 -11.936 13.296 -12.376 1.00 0.00 C ATOM 119 O ARG A 8 -11.492 13.559 -11.255 1.00 0.00 O ATOM 120 CB ARG A 8 -12.798 10.981 -13.134 1.00 0.00 C ATOM 121 CG ARG A 8 -13.690 10.869 -11.882 1.00 0.00 C ATOM 122 CD ARG A 8 -14.499 9.557 -11.851 1.00 0.00 C ATOM 123 NE ARG A 8 -15.356 9.397 -13.047 1.00 0.00 N ATOM 124 CZ ARG A 8 -16.544 8.775 -13.112 1.00 0.00 C ATOM 125 NH1 ARG A 8 -17.037 8.103 -12.084 1.00 0.00 N ATOM 126 NH2 ARG A 8 -17.261 8.864 -14.225 1.00 0.00 N ATOM 0 H ARG A 8 -10.655 10.451 -11.951 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.376 12.207 -14.095 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -13.428 11.273 -13.974 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.404 9.990 -13.360 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -13.067 10.930 -10.989 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -14.375 11.716 -11.851 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -13.814 8.712 -11.782 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -15.121 9.537 -10.956 1.00 0.00 H new ATOM 0 HE ARG A 8 -15.007 9.803 -13.915 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -16.511 8.047 -11.212 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -17.943 7.641 -12.164 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -16.908 9.400 -15.018 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -18.165 8.396 -14.288 1.00 0.00 H new ATOM 140 N VAL A 9 -12.695 14.149 -13.067 1.00 0.00 N ATOM 141 CA VAL A 9 -13.076 15.463 -12.551 1.00 0.00 C ATOM 142 C VAL A 9 -13.863 15.293 -11.235 1.00 0.00 C ATOM 143 O VAL A 9 -14.539 14.272 -11.064 1.00 0.00 O ATOM 144 CB VAL A 9 -13.839 16.263 -13.632 1.00 0.00 C ATOM 145 CG1 VAL A 9 -12.911 16.582 -14.815 1.00 0.00 C ATOM 146 CG2 VAL A 9 -15.097 15.555 -14.158 1.00 0.00 C ATOM 0 H VAL A 9 -13.061 13.948 -13.997 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.189 16.050 -12.313 1.00 0.00 H new ATOM 0 HB VAL A 9 -14.170 17.178 -13.142 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.462 17.145 -15.568 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.066 17.175 -14.465 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.546 15.653 -15.252 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -15.577 16.178 -14.912 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -14.818 14.599 -14.601 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.790 15.384 -13.334 1.00 0.00 H new ATOM 156 N PRO A 10 -13.834 16.265 -10.303 1.00 0.00 N ATOM 157 CA PRO A 10 -14.437 16.089 -8.983 1.00 0.00 C ATOM 158 C PRO A 10 -15.946 15.840 -9.069 1.00 0.00 C ATOM 159 O PRO A 10 -16.466 14.984 -8.358 1.00 0.00 O ATOM 160 CB PRO A 10 -14.090 17.353 -8.189 1.00 0.00 C ATOM 161 CG PRO A 10 -13.798 18.396 -9.267 1.00 0.00 C ATOM 162 CD PRO A 10 -13.183 17.566 -10.390 1.00 0.00 C ATOM 0 HA PRO A 10 -14.045 15.203 -8.484 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.916 17.661 -7.548 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -13.227 17.194 -7.542 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.705 18.905 -9.592 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -13.112 19.164 -8.910 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.356 18.029 -11.362 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.104 17.475 -10.267 1.00 0.00 H new ATOM 170 N GLU A 11 -16.644 16.499 -9.997 1.00 0.00 N ATOM 171 CA GLU A 11 -18.082 16.311 -10.201 1.00 0.00 C ATOM 172 C GLU A 11 -18.427 14.933 -10.787 1.00 0.00 C ATOM 173 O GLU A 11 -19.608 14.601 -10.886 1.00 0.00 O ATOM 174 CB GLU A 11 -18.634 17.419 -11.106 1.00 0.00 C ATOM 175 CG GLU A 11 -18.600 18.797 -10.429 1.00 0.00 C ATOM 176 CD GLU A 11 -19.226 19.880 -11.325 1.00 0.00 C ATOM 177 OE1 GLU A 11 -18.507 20.489 -12.150 1.00 0.00 O ATOM 178 OE2 GLU A 11 -20.443 20.152 -11.203 1.00 0.00 O ATOM 0 H GLU A 11 -16.226 17.181 -10.630 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.551 16.365 -9.219 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -18.053 17.455 -12.028 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.660 17.179 -11.385 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -19.137 18.752 -9.482 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -17.569 19.065 -10.198 1.00 0.00 H new ATOM 185 N GLN A 12 -17.436 14.122 -11.170 1.00 0.00 N ATOM 186 CA GLN A 12 -17.629 12.732 -11.557 1.00 0.00 C ATOM 187 C GLN A 12 -17.139 11.797 -10.443 1.00 0.00 C ATOM 188 O GLN A 12 -17.743 10.746 -10.240 1.00 0.00 O ATOM 189 CB GLN A 12 -16.927 12.442 -12.888 1.00 0.00 C ATOM 190 CG GLN A 12 -17.669 12.933 -14.139 1.00 0.00 C ATOM 191 CD GLN A 12 -16.999 12.421 -15.421 1.00 0.00 C ATOM 192 OE1 GLN A 12 -16.510 11.291 -15.485 1.00 0.00 O ATOM 193 NE2 GLN A 12 -16.951 13.228 -16.468 1.00 0.00 N ATOM 0 H GLN A 12 -16.463 14.424 -11.219 1.00 0.00 H new ATOM 0 HA GLN A 12 -18.694 12.549 -11.701 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -15.939 12.902 -12.867 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.776 11.366 -12.974 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -18.704 12.594 -14.107 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.690 14.023 -14.148 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -17.357 14.162 -16.411 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -16.508 12.916 -17.332 1.00 0.00 H new ATOM 202 N TYR A 13 -16.120 12.174 -9.661 1.00 0.00 N ATOM 203 CA TYR A 13 -15.757 11.437 -8.447 1.00 0.00 C ATOM 204 C TYR A 13 -16.940 11.404 -7.472 1.00 0.00 C ATOM 205 O TYR A 13 -17.244 10.362 -6.891 1.00 0.00 O ATOM 206 CB TYR A 13 -14.535 12.077 -7.779 1.00 0.00 C ATOM 207 CG TYR A 13 -14.271 11.565 -6.372 1.00 0.00 C ATOM 208 CD1 TYR A 13 -13.630 10.328 -6.161 1.00 0.00 C ATOM 209 CD2 TYR A 13 -14.709 12.321 -5.265 1.00 0.00 C ATOM 210 CE1 TYR A 13 -13.420 9.858 -4.855 1.00 0.00 C ATOM 211 CE2 TYR A 13 -14.516 11.846 -3.955 1.00 0.00 C ATOM 212 CZ TYR A 13 -13.868 10.607 -3.744 1.00 0.00 C ATOM 213 OH TYR A 13 -13.643 10.142 -2.483 1.00 0.00 O ATOM 0 H TYR A 13 -15.532 12.986 -9.849 1.00 0.00 H new ATOM 0 HA TYR A 13 -15.504 10.414 -8.724 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -13.655 11.890 -8.395 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.676 13.157 -7.743 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -13.300 9.741 -7.005 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -15.196 13.272 -5.424 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -12.913 8.918 -4.698 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -14.862 12.426 -3.112 1.00 0.00 H new ATOM 0 HH TYR A 13 -14.012 10.774 -1.831 1.00 0.00 H new ATOM 223 N GLN A 14 -17.651 12.531 -7.341 1.00 0.00 N ATOM 224 CA GLN A 14 -18.864 12.639 -6.538 1.00 0.00 C ATOM 225 C GLN A 14 -20.010 11.761 -7.074 1.00 0.00 C ATOM 226 O GLN A 14 -21.030 11.636 -6.395 1.00 0.00 O ATOM 227 CB GLN A 14 -19.296 14.116 -6.444 1.00 0.00 C ATOM 228 CG GLN A 14 -18.354 14.984 -5.586 1.00 0.00 C ATOM 229 CD GLN A 14 -18.301 14.585 -4.106 1.00 0.00 C ATOM 230 OE1 GLN A 14 -19.233 14.012 -3.548 1.00 0.00 O ATOM 231 NE2 GLN A 14 -17.201 14.879 -3.429 1.00 0.00 N ATOM 0 H GLN A 14 -17.391 13.404 -7.799 1.00 0.00 H new ATOM 0 HA GLN A 14 -18.634 12.265 -5.540 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -19.347 14.535 -7.449 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -20.302 14.165 -6.027 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -17.348 14.928 -6.002 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -18.671 16.024 -5.659 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -16.428 15.355 -3.894 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -17.127 14.629 -2.443 1.00 0.00 H new ATOM 240 N GLN A 15 -19.869 11.146 -8.255 1.00 0.00 N ATOM 241 CA GLN A 15 -20.823 10.173 -8.764 1.00 0.00 C ATOM 242 C GLN A 15 -20.337 8.783 -8.342 1.00 0.00 C ATOM 243 O GLN A 15 -21.023 8.138 -7.551 1.00 0.00 O ATOM 244 CB GLN A 15 -21.020 10.334 -10.284 1.00 0.00 C ATOM 245 CG GLN A 15 -21.507 11.750 -10.652 1.00 0.00 C ATOM 246 CD GLN A 15 -21.689 11.952 -12.158 1.00 0.00 C ATOM 247 OE1 GLN A 15 -22.269 11.127 -12.860 1.00 0.00 O ATOM 248 NE2 GLN A 15 -21.205 13.064 -12.688 1.00 0.00 N ATOM 0 H GLN A 15 -19.083 11.316 -8.882 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.815 10.330 -8.341 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -20.080 10.129 -10.796 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -21.743 9.598 -10.637 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -22.454 11.944 -10.149 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -20.792 12.482 -10.277 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -20.725 13.743 -12.098 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -21.312 13.242 -13.687 1.00 0.00 H new ATOM 257 N GLU A 16 -19.137 8.346 -8.745 1.00 0.00 N ATOM 258 CA GLU A 16 -18.517 7.116 -8.244 1.00 0.00 C ATOM 259 C GLU A 16 -17.022 7.066 -8.571 1.00 0.00 C ATOM 260 O GLU A 16 -16.525 7.855 -9.380 1.00 0.00 O ATOM 261 CB GLU A 16 -19.224 5.847 -8.778 1.00 0.00 C ATOM 262 CG GLU A 16 -19.191 5.637 -10.297 1.00 0.00 C ATOM 263 CD GLU A 16 -20.139 6.573 -11.060 1.00 0.00 C ATOM 264 OE1 GLU A 16 -21.353 6.591 -10.749 1.00 0.00 O ATOM 265 OE2 GLU A 16 -19.661 7.262 -11.991 1.00 0.00 O ATOM 0 H GLU A 16 -18.567 8.840 -9.432 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.633 7.132 -7.160 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -18.770 4.977 -8.303 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -20.266 5.877 -8.460 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.173 5.790 -10.656 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.455 4.603 -10.520 1.00 0.00 H new ATOM 272 N HIS A 17 -16.318 6.095 -7.986 1.00 0.00 N ATOM 273 CA HIS A 17 -14.948 5.729 -8.331 1.00 0.00 C ATOM 274 C HIS A 17 -14.721 4.254 -7.952 1.00 0.00 C ATOM 275 O HIS A 17 -15.606 3.631 -7.357 1.00 0.00 O ATOM 276 CB HIS A 17 -13.952 6.694 -7.665 1.00 0.00 C ATOM 277 CG HIS A 17 -13.707 6.485 -6.190 1.00 0.00 C ATOM 278 ND1 HIS A 17 -14.649 6.275 -5.206 1.00 0.00 N ATOM 279 CD2 HIS A 17 -12.486 6.527 -5.573 1.00 0.00 C ATOM 280 CE1 HIS A 17 -14.003 6.188 -4.030 1.00 0.00 C ATOM 281 NE2 HIS A 17 -12.677 6.339 -4.198 1.00 0.00 N ATOM 0 H HIS A 17 -16.702 5.524 -7.233 1.00 0.00 H new ATOM 0 HA HIS A 17 -14.779 5.823 -9.404 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.998 6.615 -8.186 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -14.311 7.713 -7.812 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -11.536 6.679 -6.063 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -14.484 6.019 -3.078 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -11.959 6.320 -3.474 1.00 0.00 H new ATOM 289 N VAL A 18 -13.575 3.673 -8.315 1.00 0.00 N ATOM 290 CA VAL A 18 -13.213 2.307 -7.930 1.00 0.00 C ATOM 291 C VAL A 18 -12.940 2.305 -6.416 1.00 0.00 C ATOM 292 O VAL A 18 -12.417 3.283 -5.879 1.00 0.00 O ATOM 293 CB VAL A 18 -11.998 1.823 -8.760 1.00 0.00 C ATOM 294 CG1 VAL A 18 -11.607 0.369 -8.471 1.00 0.00 C ATOM 295 CG2 VAL A 18 -12.273 1.917 -10.273 1.00 0.00 C ATOM 0 H VAL A 18 -12.870 4.138 -8.886 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.022 1.607 -8.140 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.184 2.484 -8.464 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.750 0.094 -9.085 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.347 0.265 -7.418 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.446 -0.287 -8.704 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.399 1.569 -10.824 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.132 1.296 -10.526 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.483 2.953 -10.541 1.00 0.00 H new ATOM 305 N GLN A 19 -13.303 1.226 -5.715 1.00 0.00 N ATOM 306 CA GLN A 19 -13.068 1.109 -4.277 1.00 0.00 C ATOM 307 C GLN A 19 -11.566 1.154 -3.940 1.00 0.00 C ATOM 308 O GLN A 19 -10.722 0.832 -4.780 1.00 0.00 O ATOM 309 CB GLN A 19 -13.753 -0.154 -3.718 1.00 0.00 C ATOM 310 CG GLN A 19 -13.122 -1.491 -4.150 1.00 0.00 C ATOM 311 CD GLN A 19 -13.764 -2.706 -3.467 1.00 0.00 C ATOM 312 OE1 GLN A 19 -14.889 -2.665 -2.974 1.00 0.00 O ATOM 313 NE2 GLN A 19 -13.056 -3.824 -3.410 1.00 0.00 N ATOM 0 H GLN A 19 -13.765 0.415 -6.127 1.00 0.00 H new ATOM 0 HA GLN A 19 -13.518 1.973 -3.788 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -13.743 -0.101 -2.629 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -14.798 -0.148 -4.027 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -13.215 -1.598 -5.231 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.056 -1.474 -3.922 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.122 -3.858 -3.819 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.444 -4.651 -2.957 1.00 0.00 H new ATOM 322 N GLY A 20 -11.241 1.471 -2.681 1.00 0.00 N ATOM 323 CA GLY A 20 -9.882 1.379 -2.153 1.00 0.00 C ATOM 324 C GLY A 20 -8.912 2.327 -2.860 1.00 0.00 C ATOM 325 O GLY A 20 -7.791 1.927 -3.184 1.00 0.00 O ATOM 0 H GLY A 20 -11.922 1.801 -1.997 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -9.894 1.606 -1.087 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.524 0.355 -2.257 1.00 0.00 H new ATOM 329 N ALA A 21 -9.346 3.562 -3.130 1.00 0.00 N ATOM 330 CA ALA A 21 -8.624 4.546 -3.930 1.00 0.00 C ATOM 331 C ALA A 21 -8.691 5.935 -3.276 1.00 0.00 C ATOM 332 O ALA A 21 -9.342 6.114 -2.242 1.00 0.00 O ATOM 333 CB ALA A 21 -9.239 4.558 -5.334 1.00 0.00 C ATOM 0 H ALA A 21 -10.240 3.912 -2.784 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.569 4.279 -3.995 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.717 5.287 -5.954 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.145 3.568 -5.781 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.293 4.828 -5.267 1.00 0.00 H new ATOM 339 N ILE A 22 -8.026 6.919 -3.888 1.00 0.00 N ATOM 340 CA ILE A 22 -7.941 8.302 -3.420 1.00 0.00 C ATOM 341 C ILE A 22 -8.246 9.236 -4.598 1.00 0.00 C ATOM 342 O ILE A 22 -7.834 8.969 -5.727 1.00 0.00 O ATOM 343 CB ILE A 22 -6.557 8.554 -2.766 1.00 0.00 C ATOM 344 CG1 ILE A 22 -6.466 10.001 -2.232 1.00 0.00 C ATOM 345 CG2 ILE A 22 -5.380 8.230 -3.710 1.00 0.00 C ATOM 346 CD1 ILE A 22 -5.174 10.297 -1.465 1.00 0.00 C ATOM 0 H ILE A 22 -7.513 6.766 -4.756 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.680 8.505 -2.645 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.471 7.865 -1.926 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.547 10.693 -3.070 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -7.317 10.191 -1.578 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.438 8.426 -3.198 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.424 7.180 -4.000 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.445 8.855 -4.601 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.184 11.332 -1.122 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.100 9.630 -0.606 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.318 10.140 -2.121 1.00 0.00 H new ATOM 358 N ASN A 23 -8.978 10.323 -4.341 1.00 0.00 N ATOM 359 CA ASN A 23 -9.343 11.320 -5.345 1.00 0.00 C ATOM 360 C ASN A 23 -8.202 12.312 -5.544 1.00 0.00 C ATOM 361 O ASN A 23 -7.824 13.009 -4.599 1.00 0.00 O ATOM 362 CB ASN A 23 -10.590 12.074 -4.870 1.00 0.00 C ATOM 363 CG ASN A 23 -10.965 13.219 -5.799 1.00 0.00 C ATOM 364 OD1 ASN A 23 -10.917 14.381 -5.400 1.00 0.00 O ATOM 365 ND2 ASN A 23 -11.297 12.943 -7.050 1.00 0.00 N ATOM 0 H ASN A 23 -9.339 10.537 -3.411 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.544 10.818 -6.291 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.426 11.379 -4.799 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -10.415 12.465 -3.868 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -11.517 13.699 -7.698 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.332 11.974 -7.366 1.00 0.00 H new ATOM 372 N ILE A 24 -7.687 12.425 -6.767 1.00 0.00 N ATOM 373 CA ILE A 24 -6.675 13.398 -7.168 1.00 0.00 C ATOM 374 C ILE A 24 -7.006 13.818 -8.619 1.00 0.00 C ATOM 375 O ILE A 24 -6.362 13.336 -9.551 1.00 0.00 O ATOM 376 CB ILE A 24 -5.239 12.820 -7.007 1.00 0.00 C ATOM 377 CG1 ILE A 24 -4.990 12.090 -5.666 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.216 13.947 -7.178 1.00 0.00 C ATOM 379 CD1 ILE A 24 -3.569 11.549 -5.493 1.00 0.00 C ATOM 0 H ILE A 24 -7.975 11.818 -7.534 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.693 14.278 -6.525 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.127 12.063 -7.783 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.206 12.777 -4.847 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.693 11.262 -5.582 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.209 13.545 -7.066 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.322 14.387 -8.169 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.388 14.712 -6.421 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.484 11.053 -4.526 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.352 10.835 -6.288 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.857 12.373 -5.542 1.00 0.00 H new ATOM 391 N PRO A 25 -8.042 14.654 -8.845 1.00 0.00 N ATOM 392 CA PRO A 25 -8.476 15.061 -10.180 1.00 0.00 C ATOM 393 C PRO A 25 -7.333 15.644 -11.003 1.00 0.00 C ATOM 394 O PRO A 25 -6.462 16.318 -10.456 1.00 0.00 O ATOM 395 CB PRO A 25 -9.556 16.130 -9.973 1.00 0.00 C ATOM 396 CG PRO A 25 -10.082 15.856 -8.570 1.00 0.00 C ATOM 397 CD PRO A 25 -8.852 15.318 -7.840 1.00 0.00 C ATOM 0 HA PRO A 25 -8.846 14.195 -10.729 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.143 17.135 -10.055 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.347 16.048 -10.719 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.467 16.761 -8.099 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.895 15.131 -8.579 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.297 16.127 -7.365 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.141 14.623 -7.051 1.00 0.00 H new ATOM 405 N LEU A 26 -7.380 15.507 -12.328 1.00 0.00 N ATOM 406 CA LEU A 26 -6.376 16.114 -13.209 1.00 0.00 C ATOM 407 C LEU A 26 -6.350 17.649 -13.076 1.00 0.00 C ATOM 408 O LEU A 26 -5.300 18.263 -13.249 1.00 0.00 O ATOM 409 CB LEU A 26 -6.626 15.632 -14.646 1.00 0.00 C ATOM 410 CG LEU A 26 -5.737 16.293 -15.724 1.00 0.00 C ATOM 411 CD1 LEU A 26 -4.259 15.920 -15.564 1.00 0.00 C ATOM 412 CD2 LEU A 26 -6.197 15.863 -17.117 1.00 0.00 C ATOM 0 H LEU A 26 -8.103 14.980 -12.818 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.379 15.791 -12.910 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.473 14.553 -14.683 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.671 15.814 -14.897 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.837 17.371 -15.600 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.674 16.408 -16.344 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.905 16.247 -14.586 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.145 14.839 -15.648 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.565 16.334 -17.870 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.122 14.779 -17.206 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.232 16.169 -17.269 1.00 0.00 H new ATOM 424 N LYS A 27 -7.472 18.276 -12.697 1.00 0.00 N ATOM 425 CA LYS A 27 -7.537 19.715 -12.409 1.00 0.00 C ATOM 426 C LYS A 27 -6.800 20.110 -11.117 1.00 0.00 C ATOM 427 O LYS A 27 -6.625 21.301 -10.865 1.00 0.00 O ATOM 428 CB LYS A 27 -9.006 20.171 -12.336 1.00 0.00 C ATOM 429 CG LYS A 27 -9.736 20.018 -13.682 1.00 0.00 C ATOM 430 CD LYS A 27 -11.146 20.622 -13.623 1.00 0.00 C ATOM 431 CE LYS A 27 -11.822 20.519 -14.999 1.00 0.00 C ATOM 432 NZ LYS A 27 -13.157 21.169 -15.021 1.00 0.00 N ATOM 0 H LYS A 27 -8.365 17.796 -12.581 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.026 20.221 -13.228 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.527 19.589 -11.575 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.045 21.214 -12.021 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.161 20.508 -14.468 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.801 18.962 -13.945 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.743 20.099 -12.876 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.090 21.666 -13.314 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.183 20.982 -15.751 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -11.927 19.469 -15.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.574 21.074 -15.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.777 20.712 -14.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.056 22.177 -14.787 1.00 0.00 H new ATOM 446 N GLU A 28 -6.377 19.147 -10.294 1.00 0.00 N ATOM 447 CA GLU A 28 -5.873 19.356 -8.936 1.00 0.00 C ATOM 448 C GLU A 28 -4.524 18.661 -8.708 1.00 0.00 C ATOM 449 O GLU A 28 -3.791 19.045 -7.799 1.00 0.00 O ATOM 450 CB GLU A 28 -6.905 18.772 -7.954 1.00 0.00 C ATOM 451 CG GLU A 28 -8.171 19.626 -7.783 1.00 0.00 C ATOM 452 CD GLU A 28 -7.943 20.768 -6.779 1.00 0.00 C ATOM 453 OE1 GLU A 28 -7.862 20.482 -5.561 1.00 0.00 O ATOM 454 OE2 GLU A 28 -7.860 21.947 -7.190 1.00 0.00 O ATOM 0 H GLU A 28 -6.377 18.164 -10.566 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.724 20.425 -8.781 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.195 17.779 -8.298 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.432 18.646 -6.980 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.466 20.040 -8.747 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.993 18.997 -7.441 1.00 0.00 H new ATOM 461 N VAL A 29 -4.183 17.649 -9.514 1.00 0.00 N ATOM 462 CA VAL A 29 -3.054 16.749 -9.294 1.00 0.00 C ATOM 463 C VAL A 29 -1.739 17.496 -9.068 1.00 0.00 C ATOM 464 O VAL A 29 -1.018 17.155 -8.132 1.00 0.00 O ATOM 465 CB VAL A 29 -3.027 15.692 -10.428 1.00 0.00 C ATOM 466 CG1 VAL A 29 -2.712 16.291 -11.803 1.00 0.00 C ATOM 467 CG2 VAL A 29 -2.057 14.532 -10.174 1.00 0.00 C ATOM 0 H VAL A 29 -4.704 17.430 -10.363 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.187 16.209 -8.357 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.044 15.300 -10.428 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.708 15.500 -12.552 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.470 17.030 -12.060 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.733 16.770 -11.776 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.096 13.835 -11.011 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.044 14.921 -10.072 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.341 14.014 -9.258 1.00 0.00 H new ATOM 477 N LYS A 30 -1.467 18.566 -9.825 1.00 0.00 N ATOM 478 CA LYS A 30 -0.230 19.346 -9.706 1.00 0.00 C ATOM 479 C LYS A 30 -0.037 19.938 -8.306 1.00 0.00 C ATOM 480 O LYS A 30 1.098 20.213 -7.918 1.00 0.00 O ATOM 481 CB LYS A 30 -0.212 20.474 -10.752 1.00 0.00 C ATOM 482 CG LYS A 30 -0.182 19.952 -12.197 1.00 0.00 C ATOM 483 CD LYS A 30 -0.140 21.117 -13.194 1.00 0.00 C ATOM 484 CE LYS A 30 -0.106 20.589 -14.635 1.00 0.00 C ATOM 485 NZ LYS A 30 -0.083 21.689 -15.633 1.00 0.00 N ATOM 0 H LYS A 30 -2.103 18.917 -10.541 1.00 0.00 H new ATOM 0 HA LYS A 30 0.596 18.658 -9.885 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.093 21.102 -10.616 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.659 21.106 -10.582 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.689 19.313 -12.340 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.062 19.337 -12.385 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.013 21.755 -13.054 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.739 21.734 -13.005 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.774 19.960 -14.769 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.978 19.959 -14.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.060 21.287 -16.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -0.935 22.275 -15.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.763 22.276 -15.483 1.00 0.00 H new ATOM 499 N GLU A 31 -1.117 20.119 -7.543 1.00 0.00 N ATOM 500 CA GLU A 31 -1.113 20.744 -6.226 1.00 0.00 C ATOM 501 C GLU A 31 -1.402 19.715 -5.119 1.00 0.00 C ATOM 502 O GLU A 31 -1.494 20.097 -3.949 1.00 0.00 O ATOM 503 CB GLU A 31 -2.152 21.884 -6.204 1.00 0.00 C ATOM 504 CG GLU A 31 -1.931 22.975 -7.266 1.00 0.00 C ATOM 505 CD GLU A 31 -0.556 23.662 -7.159 1.00 0.00 C ATOM 506 OE1 GLU A 31 -0.229 24.229 -6.091 1.00 0.00 O ATOM 507 OE2 GLU A 31 0.199 23.679 -8.157 1.00 0.00 O ATOM 0 H GLU A 31 -2.048 19.823 -7.838 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.122 21.155 -6.031 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.144 21.456 -6.344 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.141 22.348 -5.218 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.032 22.533 -8.257 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.714 23.728 -7.171 1.00 0.00 H new ATOM 514 N ARG A 32 -1.556 18.422 -5.452 1.00 0.00 N ATOM 515 CA ARG A 32 -2.042 17.409 -4.508 1.00 0.00 C ATOM 516 C ARG A 32 -1.199 16.133 -4.532 1.00 0.00 C ATOM 517 O ARG A 32 -0.955 15.575 -3.461 1.00 0.00 O ATOM 518 CB ARG A 32 -3.541 17.151 -4.787 1.00 0.00 C ATOM 519 CG ARG A 32 -4.247 16.380 -3.652 1.00 0.00 C ATOM 520 CD ARG A 32 -5.687 15.929 -3.965 1.00 0.00 C ATOM 521 NE ARG A 32 -6.617 17.035 -4.274 1.00 0.00 N ATOM 522 CZ ARG A 32 -7.938 16.900 -4.478 1.00 0.00 C ATOM 523 NH1 ARG A 32 -8.522 15.704 -4.429 1.00 0.00 N ATOM 524 NH2 ARG A 32 -8.682 17.965 -4.750 1.00 0.00 N ATOM 0 H ARG A 32 -1.347 18.054 -6.380 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.937 17.786 -3.491 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -4.045 18.105 -4.937 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.640 16.589 -5.715 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.652 15.500 -3.407 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.265 17.010 -2.763 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.664 15.242 -4.811 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.074 15.372 -3.112 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.225 17.975 -4.337 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.965 14.872 -4.234 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.526 15.620 -4.586 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.251 18.888 -4.804 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -9.685 17.861 -4.905 1.00 0.00 H new ATOM 538 N ILE A 33 -0.702 15.670 -5.688 1.00 0.00 N ATOM 539 CA ILE A 33 0.015 14.389 -5.749 1.00 0.00 C ATOM 540 C ILE A 33 1.276 14.412 -4.878 1.00 0.00 C ATOM 541 O ILE A 33 1.550 13.434 -4.187 1.00 0.00 O ATOM 542 CB ILE A 33 0.283 13.942 -7.208 1.00 0.00 C ATOM 543 CG1 ILE A 33 0.769 12.476 -7.282 1.00 0.00 C ATOM 544 CG2 ILE A 33 1.281 14.832 -7.976 1.00 0.00 C ATOM 545 CD1 ILE A 33 -0.282 11.437 -6.879 1.00 0.00 C ATOM 0 H ILE A 33 -0.782 16.156 -6.581 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.634 13.624 -5.324 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.687 14.043 -7.695 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.097 12.266 -8.300 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.640 12.362 -6.637 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.409 14.446 -8.987 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.898 15.852 -8.022 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.242 14.828 -7.462 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.145 10.437 -6.961 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.594 11.615 -5.850 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.145 11.518 -7.539 1.00 0.00 H new ATOM 557 N ALA A 34 1.976 15.552 -4.822 1.00 0.00 N ATOM 558 CA ALA A 34 3.199 15.718 -4.041 1.00 0.00 C ATOM 559 C ALA A 34 2.989 15.568 -2.523 1.00 0.00 C ATOM 560 O ALA A 34 3.975 15.486 -1.789 1.00 0.00 O ATOM 561 CB ALA A 34 3.820 17.082 -4.366 1.00 0.00 C ATOM 0 H ALA A 34 1.701 16.395 -5.327 1.00 0.00 H new ATOM 0 HA ALA A 34 3.875 14.912 -4.325 1.00 0.00 H new ATOM 0 HB1 ALA A 34 4.734 17.213 -3.786 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.055 17.131 -5.429 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.114 17.873 -4.114 1.00 0.00 H new ATOM 567 N THR A 35 1.740 15.523 -2.045 1.00 0.00 N ATOM 568 CA THR A 35 1.408 15.331 -0.634 1.00 0.00 C ATOM 569 C THR A 35 0.646 14.009 -0.452 1.00 0.00 C ATOM 570 O THR A 35 0.871 13.307 0.534 1.00 0.00 O ATOM 571 CB THR A 35 0.611 16.554 -0.133 1.00 0.00 C ATOM 572 OG1 THR A 35 1.274 17.760 -0.481 1.00 0.00 O ATOM 573 CG2 THR A 35 0.426 16.557 1.388 1.00 0.00 C ATOM 0 H THR A 35 0.919 15.621 -2.642 1.00 0.00 H new ATOM 0 HA THR A 35 2.314 15.258 -0.032 1.00 0.00 H new ATOM 0 HB THR A 35 -0.366 16.487 -0.612 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.754 18.525 -0.157 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.141 17.440 1.684 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.114 15.660 1.691 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.402 16.574 1.873 1.00 0.00 H new ATOM 581 N ALA A 36 -0.207 13.628 -1.413 1.00 0.00 N ATOM 582 CA ALA A 36 -0.925 12.358 -1.392 1.00 0.00 C ATOM 583 C ALA A 36 0.023 11.160 -1.539 1.00 0.00 C ATOM 584 O ALA A 36 -0.189 10.128 -0.902 1.00 0.00 O ATOM 585 CB ALA A 36 -1.942 12.350 -2.534 1.00 0.00 C ATOM 0 H ALA A 36 -0.416 14.201 -2.231 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.425 12.263 -0.428 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.486 11.406 -2.530 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.644 13.174 -2.402 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.422 12.465 -3.485 1.00 0.00 H new ATOM 591 N VAL A 37 1.061 11.295 -2.369 1.00 0.00 N ATOM 592 CA VAL A 37 2.044 10.263 -2.676 1.00 0.00 C ATOM 593 C VAL A 37 3.410 10.972 -2.649 1.00 0.00 C ATOM 594 O VAL A 37 3.955 11.321 -3.697 1.00 0.00 O ATOM 595 CB VAL A 37 1.709 9.566 -4.018 1.00 0.00 C ATOM 596 CG1 VAL A 37 2.636 8.363 -4.239 1.00 0.00 C ATOM 597 CG2 VAL A 37 0.261 9.041 -4.084 1.00 0.00 C ATOM 0 H VAL A 37 1.243 12.167 -2.865 1.00 0.00 H new ATOM 0 HA VAL A 37 2.048 9.448 -1.952 1.00 0.00 H new ATOM 0 HB VAL A 37 1.843 10.328 -4.786 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.389 7.883 -5.186 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.672 8.701 -4.263 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.506 7.649 -3.425 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.091 8.564 -5.049 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.101 8.315 -3.287 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.433 9.872 -3.963 1.00 0.00 H new ATOM 607 N PRO A 38 3.951 11.264 -1.451 1.00 0.00 N ATOM 608 CA PRO A 38 5.109 12.138 -1.275 1.00 0.00 C ATOM 609 C PRO A 38 6.454 11.490 -1.659 1.00 0.00 C ATOM 610 O PRO A 38 7.506 12.064 -1.364 1.00 0.00 O ATOM 611 CB PRO A 38 5.056 12.548 0.203 1.00 0.00 C ATOM 612 CG PRO A 38 4.462 11.318 0.880 1.00 0.00 C ATOM 613 CD PRO A 38 3.448 10.831 -0.153 1.00 0.00 C ATOM 0 HA PRO A 38 5.057 12.992 -1.950 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.047 12.784 0.592 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.435 13.431 0.355 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.221 10.564 1.091 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.987 11.566 1.829 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.346 9.746 -0.117 1.00 0.00 H new ATOM 0 HD3 PRO A 38 2.461 11.251 0.042 1.00 0.00 H new ATOM 621 N ASP A 39 6.461 10.317 -2.300 1.00 0.00 N ATOM 622 CA ASP A 39 7.674 9.628 -2.735 1.00 0.00 C ATOM 623 C ASP A 39 7.428 9.008 -4.109 1.00 0.00 C ATOM 624 O ASP A 39 6.383 8.399 -4.351 1.00 0.00 O ATOM 625 CB ASP A 39 8.083 8.557 -1.718 1.00 0.00 C ATOM 626 CG ASP A 39 9.390 7.883 -2.155 1.00 0.00 C ATOM 627 OD1 ASP A 39 9.340 7.035 -3.072 1.00 0.00 O ATOM 628 OD2 ASP A 39 10.459 8.206 -1.591 1.00 0.00 O ATOM 0 H ASP A 39 5.606 9.813 -2.534 1.00 0.00 H new ATOM 0 HA ASP A 39 8.493 10.344 -2.805 1.00 0.00 H new ATOM 0 HB2 ASP A 39 8.210 9.009 -0.734 1.00 0.00 H new ATOM 0 HB3 ASP A 39 7.293 7.811 -1.627 1.00 0.00 H new ATOM 633 N LYS A 40 8.383 9.198 -5.023 1.00 0.00 N ATOM 634 CA LYS A 40 8.225 8.858 -6.433 1.00 0.00 C ATOM 635 C LYS A 40 8.218 7.356 -6.739 1.00 0.00 C ATOM 636 O LYS A 40 7.866 6.995 -7.862 1.00 0.00 O ATOM 637 CB LYS A 40 9.299 9.576 -7.266 1.00 0.00 C ATOM 638 CG LYS A 40 10.748 9.234 -6.856 1.00 0.00 C ATOM 639 CD LYS A 40 11.696 9.248 -8.061 1.00 0.00 C ATOM 640 CE LYS A 40 11.467 7.989 -8.911 1.00 0.00 C ATOM 641 NZ LYS A 40 11.970 8.142 -10.292 1.00 0.00 N ATOM 0 H LYS A 40 9.295 9.596 -4.799 1.00 0.00 H new ATOM 0 HA LYS A 40 7.230 9.205 -6.712 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.160 9.320 -8.316 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.152 10.652 -7.178 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.095 9.951 -6.112 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.771 8.251 -6.386 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.524 10.141 -8.662 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.731 9.287 -7.722 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.962 7.140 -8.439 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.401 7.761 -8.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.617 7.359 -10.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.637 9.046 -10.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.010 8.129 -10.286 1.00 0.00 H new ATOM 655 N ASN A 41 8.647 6.484 -5.817 1.00 0.00 N ATOM 656 CA ASN A 41 8.801 5.056 -6.117 1.00 0.00 C ATOM 657 C ASN A 41 7.458 4.315 -6.165 1.00 0.00 C ATOM 658 O ASN A 41 7.406 3.197 -6.677 1.00 0.00 O ATOM 659 CB ASN A 41 9.764 4.355 -5.135 1.00 0.00 C ATOM 660 CG ASN A 41 9.055 3.642 -3.981 1.00 0.00 C ATOM 661 OD1 ASN A 41 8.894 2.425 -3.984 1.00 0.00 O ATOM 662 ND2 ASN A 41 8.617 4.377 -2.977 1.00 0.00 N ATOM 0 H ASN A 41 8.892 6.742 -4.861 1.00 0.00 H new ATOM 0 HA ASN A 41 9.240 5.011 -7.114 1.00 0.00 H new ATOM 0 HB2 ASN A 41 10.364 3.630 -5.684 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.453 5.094 -4.725 1.00 0.00 H new ATOM 0 HD21 ASN A 41 8.139 3.935 -2.192 1.00 0.00 H new ATOM 0 HD22 ASN A 41 8.757 5.387 -2.986 1.00 0.00 H new ATOM 669 N ASP A 42 6.391 4.894 -5.605 1.00 0.00 N ATOM 670 CA ASP A 42 5.088 4.237 -5.523 1.00 0.00 C ATOM 671 C ASP A 42 4.517 3.948 -6.913 1.00 0.00 C ATOM 672 O ASP A 42 4.682 4.745 -7.839 1.00 0.00 O ATOM 673 CB ASP A 42 4.101 5.109 -4.752 1.00 0.00 C ATOM 674 CG ASP A 42 2.724 4.437 -4.704 1.00 0.00 C ATOM 675 OD1 ASP A 42 2.617 3.379 -4.047 1.00 0.00 O ATOM 676 OD2 ASP A 42 1.780 4.951 -5.339 1.00 0.00 O ATOM 0 H ASP A 42 6.409 5.829 -5.198 1.00 0.00 H new ATOM 0 HA ASP A 42 5.234 3.291 -5.001 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.467 5.277 -3.739 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.020 6.086 -5.227 1.00 0.00 H new ATOM 681 N THR A 43 3.820 2.821 -7.048 1.00 0.00 N ATOM 682 CA THR A 43 3.118 2.455 -8.269 1.00 0.00 C ATOM 683 C THR A 43 1.794 3.228 -8.305 1.00 0.00 C ATOM 684 O THR A 43 0.774 2.752 -7.797 1.00 0.00 O ATOM 685 CB THR A 43 2.936 0.928 -8.370 1.00 0.00 C ATOM 686 OG1 THR A 43 4.129 0.251 -8.023 1.00 0.00 O ATOM 687 CG2 THR A 43 2.530 0.494 -9.782 1.00 0.00 C ATOM 0 H THR A 43 3.728 2.131 -6.302 1.00 0.00 H new ATOM 0 HA THR A 43 3.702 2.730 -9.147 1.00 0.00 H new ATOM 0 HB THR A 43 2.141 0.666 -7.672 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.988 -0.716 -8.093 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.412 -0.589 -9.810 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.587 0.969 -10.051 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.302 0.793 -10.491 1.00 0.00 H new ATOM 695 N VAL A 44 1.827 4.443 -8.859 1.00 0.00 N ATOM 696 CA VAL A 44 0.675 5.330 -8.971 1.00 0.00 C ATOM 697 C VAL A 44 -0.241 4.796 -10.083 1.00 0.00 C ATOM 698 O VAL A 44 -0.160 5.227 -11.237 1.00 0.00 O ATOM 699 CB VAL A 44 1.121 6.798 -9.204 1.00 0.00 C ATOM 700 CG1 VAL A 44 -0.029 7.764 -8.888 1.00 0.00 C ATOM 701 CG2 VAL A 44 2.331 7.222 -8.355 1.00 0.00 C ATOM 0 H VAL A 44 2.679 4.844 -9.251 1.00 0.00 H new ATOM 0 HA VAL A 44 0.112 5.342 -8.038 1.00 0.00 H new ATOM 0 HB VAL A 44 1.410 6.845 -10.254 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.300 8.789 -9.057 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.877 7.544 -9.536 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.328 7.646 -7.847 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.583 8.260 -8.573 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.086 7.123 -7.297 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.183 6.584 -8.592 1.00 0.00 H new ATOM 711 N LYS A 45 -1.086 3.810 -9.776 1.00 0.00 N ATOM 712 CA LYS A 45 -2.097 3.355 -10.724 1.00 0.00 C ATOM 713 C LYS A 45 -3.129 4.472 -10.847 1.00 0.00 C ATOM 714 O LYS A 45 -3.592 4.975 -9.824 1.00 0.00 O ATOM 715 CB LYS A 45 -2.738 2.042 -10.250 1.00 0.00 C ATOM 716 CG LYS A 45 -1.712 0.900 -10.197 1.00 0.00 C ATOM 717 CD LYS A 45 -2.384 -0.430 -9.849 1.00 0.00 C ATOM 718 CE LYS A 45 -1.353 -1.565 -9.857 1.00 0.00 C ATOM 719 NZ LYS A 45 -1.929 -2.836 -9.358 1.00 0.00 N ATOM 0 H LYS A 45 -1.089 3.316 -8.884 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.653 3.145 -11.697 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.175 2.186 -9.262 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.552 1.770 -10.922 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.208 0.815 -11.160 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.947 1.129 -9.456 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.853 -0.362 -8.867 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.176 -0.644 -10.567 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.979 -1.709 -10.871 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -0.500 -1.285 -9.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.197 -3.574 -9.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.279 -2.701 -8.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.716 -3.125 -9.973 1.00 0.00 H new ATOM 733 N VAL A 46 -3.514 4.848 -12.064 1.00 0.00 N ATOM 734 CA VAL A 46 -4.423 5.965 -12.316 1.00 0.00 C ATOM 735 C VAL A 46 -5.583 5.492 -13.188 1.00 0.00 C ATOM 736 O VAL A 46 -5.385 4.665 -14.083 1.00 0.00 O ATOM 737 CB VAL A 46 -3.666 7.170 -12.928 1.00 0.00 C ATOM 738 CG1 VAL A 46 -2.940 7.972 -11.842 1.00 0.00 C ATOM 739 CG2 VAL A 46 -2.634 6.805 -14.010 1.00 0.00 C ATOM 0 H VAL A 46 -3.200 4.380 -12.914 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.840 6.317 -11.372 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.449 7.758 -13.407 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.417 8.812 -12.299 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.666 8.346 -11.120 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.221 7.329 -11.334 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.156 7.713 -14.378 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.879 6.144 -13.584 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.135 6.299 -14.835 1.00 0.00 H new ATOM 749 N TYR A 47 -6.791 6.008 -12.954 1.00 0.00 N ATOM 750 CA TYR A 47 -7.969 5.694 -13.760 1.00 0.00 C ATOM 751 C TYR A 47 -8.953 6.863 -13.755 1.00 0.00 C ATOM 752 O TYR A 47 -8.919 7.722 -12.868 1.00 0.00 O ATOM 753 CB TYR A 47 -8.646 4.420 -13.240 1.00 0.00 C ATOM 754 CG TYR A 47 -9.260 4.562 -11.862 1.00 0.00 C ATOM 755 CD1 TYR A 47 -10.567 5.069 -11.728 1.00 0.00 C ATOM 756 CD2 TYR A 47 -8.506 4.240 -10.717 1.00 0.00 C ATOM 757 CE1 TYR A 47 -11.114 5.279 -10.454 1.00 0.00 C ATOM 758 CE2 TYR A 47 -9.059 4.420 -9.439 1.00 0.00 C ATOM 759 CZ TYR A 47 -10.367 4.937 -9.308 1.00 0.00 C ATOM 760 OH TYR A 47 -10.939 5.073 -8.085 1.00 0.00 O ATOM 0 H TYR A 47 -6.979 6.661 -12.193 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.648 5.523 -14.787 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.424 4.122 -13.943 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.912 3.615 -13.217 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -11.149 5.297 -12.609 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.503 3.855 -10.822 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -12.103 5.701 -10.351 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -8.487 4.164 -8.560 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.372 5.638 -7.520 1.00 0.00 H new ATOM 770 N CYS A 48 -9.842 6.881 -14.751 1.00 0.00 N ATOM 771 CA CYS A 48 -10.918 7.850 -14.915 1.00 0.00 C ATOM 772 C CYS A 48 -11.860 7.349 -16.017 1.00 0.00 C ATOM 773 O CYS A 48 -11.621 6.294 -16.613 1.00 0.00 O ATOM 774 CB CYS A 48 -10.325 9.216 -15.298 1.00 0.00 C ATOM 775 SG CYS A 48 -9.338 9.038 -16.807 1.00 0.00 S ATOM 0 H CYS A 48 -9.827 6.186 -15.498 1.00 0.00 H new ATOM 0 HA CYS A 48 -11.473 7.962 -13.984 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -11.124 9.941 -15.455 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.705 9.596 -14.487 1.00 0.00 H new ATOM 0 HG CYS A 48 -10.129 8.943 -17.834 1.00 0.00 H new ATOM 781 N ASN A 49 -12.909 8.113 -16.337 1.00 0.00 N ATOM 782 CA ASN A 49 -13.733 7.845 -17.514 1.00 0.00 C ATOM 783 C ASN A 49 -12.856 7.886 -18.773 1.00 0.00 C ATOM 784 O ASN A 49 -12.136 8.862 -18.993 1.00 0.00 O ATOM 785 CB ASN A 49 -14.876 8.864 -17.623 1.00 0.00 C ATOM 786 CG ASN A 49 -15.701 8.609 -18.881 1.00 0.00 C ATOM 787 OD1 ASN A 49 -15.581 9.319 -19.874 1.00 0.00 O ATOM 788 ND2 ASN A 49 -16.528 7.576 -18.879 1.00 0.00 N ATOM 0 H ASN A 49 -13.206 8.924 -15.794 1.00 0.00 H new ATOM 0 HA ASN A 49 -14.176 6.854 -17.417 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.515 8.798 -16.742 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.469 9.875 -17.647 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.077 7.361 -19.711 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.616 6.995 -18.045 1.00 0.00 H new ATOM 795 N ALA A 50 -12.924 6.825 -19.585 1.00 0.00 N ATOM 796 CA ALA A 50 -12.167 6.624 -20.824 1.00 0.00 C ATOM 797 C ALA A 50 -10.639 6.793 -20.698 1.00 0.00 C ATOM 798 O ALA A 50 -9.965 6.962 -21.716 1.00 0.00 O ATOM 799 CB ALA A 50 -12.779 7.487 -21.940 1.00 0.00 C ATOM 0 H ALA A 50 -13.544 6.040 -19.383 1.00 0.00 H new ATOM 0 HA ALA A 50 -12.266 5.571 -21.086 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.218 7.340 -22.863 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -13.818 7.196 -22.096 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.736 8.538 -21.653 1.00 0.00 H new ATOM 805 N GLY A 51 -10.067 6.763 -19.487 1.00 0.00 N ATOM 806 CA GLY A 51 -8.620 6.805 -19.263 1.00 0.00 C ATOM 807 C GLY A 51 -7.929 8.110 -19.690 1.00 0.00 C ATOM 808 O GLY A 51 -6.711 8.217 -19.550 1.00 0.00 O ATOM 0 H GLY A 51 -10.607 6.708 -18.623 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.428 6.641 -18.203 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.161 5.976 -19.802 1.00 0.00 H new ATOM 812 N ARG A 52 -8.650 9.116 -20.204 1.00 0.00 N ATOM 813 CA ARG A 52 -8.032 10.323 -20.767 1.00 0.00 C ATOM 814 C ARG A 52 -7.387 11.184 -19.715 1.00 0.00 C ATOM 815 O ARG A 52 -6.310 11.709 -19.979 1.00 0.00 O ATOM 816 CB ARG A 52 -9.044 11.141 -21.590 1.00 0.00 C ATOM 817 CG ARG A 52 -9.703 10.386 -22.760 1.00 0.00 C ATOM 818 CD ARG A 52 -8.685 9.700 -23.682 1.00 0.00 C ATOM 819 NE ARG A 52 -9.269 9.354 -24.991 1.00 0.00 N ATOM 820 CZ ARG A 52 -9.775 8.172 -25.370 1.00 0.00 C ATOM 821 NH1 ARG A 52 -9.899 7.162 -24.512 1.00 0.00 N ATOM 822 NH2 ARG A 52 -10.161 8.003 -26.631 1.00 0.00 N ATOM 0 H ARG A 52 -9.669 9.116 -20.241 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.241 9.980 -21.434 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.828 11.497 -20.921 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.538 12.022 -21.986 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -10.387 9.636 -22.362 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.301 11.085 -23.345 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.829 10.358 -23.830 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.312 8.796 -23.201 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.290 10.099 -25.687 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.606 7.278 -23.542 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.287 6.272 -24.825 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.071 8.769 -27.299 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.547 7.108 -26.930 1.00 0.00 H new ATOM 836 N GLN A 53 -7.992 11.343 -18.545 1.00 0.00 N ATOM 837 CA GLN A 53 -7.380 12.123 -17.478 1.00 0.00 C ATOM 838 C GLN A 53 -6.147 11.379 -16.941 1.00 0.00 C ATOM 839 O GLN A 53 -5.180 12.026 -16.553 1.00 0.00 O ATOM 840 CB GLN A 53 -8.399 12.487 -16.379 1.00 0.00 C ATOM 841 CG GLN A 53 -9.421 13.572 -16.770 1.00 0.00 C ATOM 842 CD GLN A 53 -10.188 13.282 -18.063 1.00 0.00 C ATOM 843 OE1 GLN A 53 -9.974 13.930 -19.084 1.00 0.00 O ATOM 844 NE2 GLN A 53 -11.052 12.277 -18.069 1.00 0.00 N ATOM 0 H GLN A 53 -8.901 10.944 -18.312 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.040 13.078 -17.879 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -8.941 11.585 -16.094 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.854 12.824 -15.497 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.136 13.690 -15.956 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.900 14.523 -16.877 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.222 11.746 -17.215 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.547 12.035 -18.927 1.00 0.00 H new ATOM 853 N SER A 54 -6.134 10.043 -16.983 1.00 0.00 N ATOM 854 CA SER A 54 -4.998 9.217 -16.582 1.00 0.00 C ATOM 855 C SER A 54 -3.835 9.340 -17.568 1.00 0.00 C ATOM 856 O SER A 54 -2.703 9.570 -17.145 1.00 0.00 O ATOM 857 CB SER A 54 -5.452 7.758 -16.468 1.00 0.00 C ATOM 858 OG SER A 54 -6.681 7.680 -15.767 1.00 0.00 O ATOM 0 H SER A 54 -6.933 9.496 -17.305 1.00 0.00 H new ATOM 0 HA SER A 54 -4.639 9.568 -15.615 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.564 7.326 -17.462 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.692 7.173 -15.950 1.00 0.00 H new ATOM 0 HG SER A 54 -7.402 8.027 -16.332 1.00 0.00 H new ATOM 864 N GLY A 55 -4.099 9.234 -18.875 1.00 0.00 N ATOM 865 CA GLY A 55 -3.072 9.375 -19.903 1.00 0.00 C ATOM 866 C GLY A 55 -2.477 10.781 -19.873 1.00 0.00 C ATOM 867 O GLY A 55 -1.257 10.943 -19.899 1.00 0.00 O ATOM 0 H GLY A 55 -5.031 9.048 -19.246 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.286 8.637 -19.744 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.502 9.176 -20.885 1.00 0.00 H new ATOM 871 N GLN A 56 -3.340 11.791 -19.732 1.00 0.00 N ATOM 872 CA GLN A 56 -2.949 13.179 -19.529 1.00 0.00 C ATOM 873 C GLN A 56 -2.065 13.324 -18.279 1.00 0.00 C ATOM 874 O GLN A 56 -0.987 13.917 -18.357 1.00 0.00 O ATOM 875 CB GLN A 56 -4.227 14.028 -19.429 1.00 0.00 C ATOM 876 CG GLN A 56 -4.719 14.490 -20.809 1.00 0.00 C ATOM 877 CD GLN A 56 -6.072 15.199 -20.710 1.00 0.00 C ATOM 878 OE1 GLN A 56 -6.174 16.418 -20.817 1.00 0.00 O ATOM 879 NE2 GLN A 56 -7.132 14.439 -20.491 1.00 0.00 N ATOM 0 H GLN A 56 -4.351 11.658 -19.757 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.351 13.528 -20.371 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.010 13.449 -18.940 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.036 14.899 -18.802 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.985 15.163 -21.252 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.805 13.630 -21.473 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.026 13.428 -20.405 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.056 14.864 -20.408 1.00 0.00 H new ATOM 888 N ALA A 57 -2.483 12.761 -17.139 1.00 0.00 N ATOM 889 CA ALA A 57 -1.734 12.848 -15.890 1.00 0.00 C ATOM 890 C ALA A 57 -0.374 12.156 -15.991 1.00 0.00 C ATOM 891 O ALA A 57 0.591 12.639 -15.402 1.00 0.00 O ATOM 892 CB ALA A 57 -2.540 12.251 -14.732 1.00 0.00 C ATOM 0 H ALA A 57 -3.352 12.233 -17.062 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.558 13.906 -15.695 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.963 12.326 -13.810 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.476 12.798 -14.620 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.755 11.203 -14.941 1.00 0.00 H new ATOM 898 N LYS A 58 -0.261 11.045 -16.726 1.00 0.00 N ATOM 899 CA LYS A 58 0.998 10.309 -16.815 1.00 0.00 C ATOM 900 C LYS A 58 2.128 11.199 -17.327 1.00 0.00 C ATOM 901 O LYS A 58 3.253 11.051 -16.850 1.00 0.00 O ATOM 902 CB LYS A 58 0.823 9.035 -17.659 1.00 0.00 C ATOM 903 CG LYS A 58 2.089 8.163 -17.606 1.00 0.00 C ATOM 904 CD LYS A 58 1.893 6.802 -18.289 1.00 0.00 C ATOM 905 CE LYS A 58 3.119 5.888 -18.117 1.00 0.00 C ATOM 906 NZ LYS A 58 4.353 6.433 -18.743 1.00 0.00 N ATOM 0 H LYS A 58 -1.026 10.639 -17.265 1.00 0.00 H new ATOM 0 HA LYS A 58 1.285 9.994 -15.812 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.031 8.466 -17.292 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.606 9.306 -18.692 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.912 8.692 -18.087 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.375 8.006 -16.566 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.014 6.311 -17.873 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.700 6.954 -19.351 1.00 0.00 H new ATOM 0 HE2 LYS A 58 3.299 5.730 -17.054 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.900 4.913 -18.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.137 5.763 -18.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.192 6.575 -19.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.594 7.343 -18.300 1.00 0.00 H new ATOM 920 N GLU A 59 1.857 12.132 -18.242 1.00 0.00 N ATOM 921 CA GLU A 59 2.890 13.008 -18.783 1.00 0.00 C ATOM 922 C GLU A 59 3.475 13.888 -17.672 1.00 0.00 C ATOM 923 O GLU A 59 4.688 13.882 -17.454 1.00 0.00 O ATOM 924 CB GLU A 59 2.332 13.866 -19.931 1.00 0.00 C ATOM 925 CG GLU A 59 1.897 13.019 -21.135 1.00 0.00 C ATOM 926 CD GLU A 59 1.496 13.902 -22.331 1.00 0.00 C ATOM 927 OE1 GLU A 59 0.314 14.302 -22.438 1.00 0.00 O ATOM 928 OE2 GLU A 59 2.358 14.193 -23.193 1.00 0.00 O ATOM 0 H GLU A 59 0.926 12.298 -18.623 1.00 0.00 H new ATOM 0 HA GLU A 59 3.691 12.391 -19.189 1.00 0.00 H new ATOM 0 HB2 GLU A 59 1.481 14.443 -19.569 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.091 14.582 -20.248 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.711 12.356 -21.428 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.057 12.386 -20.851 1.00 0.00 H new ATOM 935 N ILE A 60 2.629 14.616 -16.933 1.00 0.00 N ATOM 936 CA ILE A 60 3.093 15.518 -15.888 1.00 0.00 C ATOM 937 C ILE A 60 3.667 14.738 -14.702 1.00 0.00 C ATOM 938 O ILE A 60 4.633 15.192 -14.099 1.00 0.00 O ATOM 939 CB ILE A 60 1.973 16.498 -15.481 1.00 0.00 C ATOM 940 CG1 ILE A 60 0.733 15.774 -14.914 1.00 0.00 C ATOM 941 CG2 ILE A 60 1.622 17.388 -16.692 1.00 0.00 C ATOM 942 CD1 ILE A 60 -0.426 16.684 -14.522 1.00 0.00 C ATOM 0 H ILE A 60 1.615 14.593 -17.045 1.00 0.00 H new ATOM 0 HA ILE A 60 3.912 16.121 -16.280 1.00 0.00 H new ATOM 0 HB ILE A 60 2.336 17.127 -14.669 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.378 15.059 -15.656 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.036 15.200 -14.038 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.831 18.085 -16.414 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.505 17.947 -17.001 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.281 16.762 -17.517 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.248 16.081 -14.136 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.096 17.383 -13.753 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.764 17.240 -15.397 1.00 0.00 H new ATOM 954 N LEU A 61 3.140 13.551 -14.388 1.00 0.00 N ATOM 955 CA LEU A 61 3.677 12.721 -13.315 1.00 0.00 C ATOM 956 C LEU A 61 5.077 12.226 -13.682 1.00 0.00 C ATOM 957 O LEU A 61 5.968 12.243 -12.831 1.00 0.00 O ATOM 958 CB LEU A 61 2.737 11.539 -13.027 1.00 0.00 C ATOM 959 CG LEU A 61 1.401 11.927 -12.364 1.00 0.00 C ATOM 960 CD1 LEU A 61 0.462 10.716 -12.332 1.00 0.00 C ATOM 961 CD2 LEU A 61 1.602 12.442 -10.938 1.00 0.00 C ATOM 0 H LEU A 61 2.337 13.145 -14.868 1.00 0.00 H new ATOM 0 HA LEU A 61 3.751 13.323 -12.409 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.526 11.023 -13.964 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.255 10.829 -12.382 1.00 0.00 H new ATOM 0 HG LEU A 61 0.963 12.729 -12.959 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.480 10.998 -11.862 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.272 10.376 -13.350 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.925 9.911 -11.761 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.636 12.705 -10.506 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.071 11.665 -10.333 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.243 13.324 -10.956 1.00 0.00 H new ATOM 973 N SER A 62 5.297 11.844 -14.943 1.00 0.00 N ATOM 974 CA SER A 62 6.617 11.454 -15.422 1.00 0.00 C ATOM 975 C SER A 62 7.585 12.642 -15.345 1.00 0.00 C ATOM 976 O SER A 62 8.741 12.461 -14.961 1.00 0.00 O ATOM 977 CB SER A 62 6.529 10.901 -16.851 1.00 0.00 C ATOM 978 OG SER A 62 5.609 9.823 -16.935 1.00 0.00 O ATOM 0 H SER A 62 4.567 11.798 -15.654 1.00 0.00 H new ATOM 0 HA SER A 62 7.003 10.662 -14.780 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.223 11.696 -17.532 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.515 10.566 -17.174 1.00 0.00 H new ATOM 0 HG SER A 62 4.695 10.175 -16.974 1.00 0.00 H new ATOM 984 N GLU A 63 7.120 13.858 -15.657 1.00 0.00 N ATOM 985 CA GLU A 63 7.928 15.070 -15.561 1.00 0.00 C ATOM 986 C GLU A 63 8.275 15.384 -14.095 1.00 0.00 C ATOM 987 O GLU A 63 9.419 15.734 -13.798 1.00 0.00 O ATOM 988 CB GLU A 63 7.185 16.231 -16.244 1.00 0.00 C ATOM 989 CG GLU A 63 8.053 17.492 -16.359 1.00 0.00 C ATOM 990 CD GLU A 63 7.332 18.606 -17.138 1.00 0.00 C ATOM 991 OE1 GLU A 63 6.627 19.433 -16.516 1.00 0.00 O ATOM 992 OE2 GLU A 63 7.483 18.685 -18.379 1.00 0.00 O ATOM 0 H GLU A 63 6.168 14.025 -15.984 1.00 0.00 H new ATOM 0 HA GLU A 63 8.876 14.920 -16.078 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.867 15.920 -17.239 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.283 16.464 -15.679 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.308 17.851 -15.362 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.990 17.245 -16.859 1.00 0.00 H new ATOM 999 N MET A 64 7.318 15.220 -13.171 1.00 0.00 N ATOM 1000 CA MET A 64 7.537 15.401 -11.735 1.00 0.00 C ATOM 1001 C MET A 64 8.533 14.366 -11.197 1.00 0.00 C ATOM 1002 O MET A 64 9.308 14.688 -10.294 1.00 0.00 O ATOM 1003 CB MET A 64 6.208 15.331 -10.964 1.00 0.00 C ATOM 1004 CG MET A 64 5.348 16.582 -11.188 1.00 0.00 C ATOM 1005 SD MET A 64 3.719 16.552 -10.382 1.00 0.00 S ATOM 1006 CE MET A 64 4.206 16.849 -8.659 1.00 0.00 C ATOM 0 H MET A 64 6.361 14.955 -13.405 1.00 0.00 H new ATOM 0 HA MET A 64 7.965 16.392 -11.584 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.652 14.448 -11.279 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.412 15.217 -9.899 1.00 0.00 H new ATOM 0 HG2 MET A 64 5.898 17.451 -10.828 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.203 16.717 -12.260 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.318 16.861 -8.027 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.876 16.056 -8.328 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.717 17.809 -8.586 1.00 0.00 H new ATOM 1016 N GLY A 65 8.543 13.150 -11.755 1.00 0.00 N ATOM 1017 CA GLY A 65 9.574 12.146 -11.510 1.00 0.00 C ATOM 1018 C GLY A 65 9.030 10.761 -11.170 1.00 0.00 C ATOM 1019 O GLY A 65 9.833 9.854 -10.949 1.00 0.00 O ATOM 0 H GLY A 65 7.819 12.834 -12.401 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.207 12.068 -12.394 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.209 12.486 -10.692 1.00 0.00 H new ATOM 1023 N TYR A 66 7.709 10.572 -11.095 1.00 0.00 N ATOM 1024 CA TYR A 66 7.119 9.264 -10.833 1.00 0.00 C ATOM 1025 C TYR A 66 7.386 8.371 -12.049 1.00 0.00 C ATOM 1026 O TYR A 66 7.025 8.731 -13.170 1.00 0.00 O ATOM 1027 CB TYR A 66 5.611 9.390 -10.559 1.00 0.00 C ATOM 1028 CG TYR A 66 5.238 10.246 -9.357 1.00 0.00 C ATOM 1029 CD1 TYR A 66 5.030 11.631 -9.507 1.00 0.00 C ATOM 1030 CD2 TYR A 66 5.092 9.657 -8.086 1.00 0.00 C ATOM 1031 CE1 TYR A 66 4.707 12.429 -8.396 1.00 0.00 C ATOM 1032 CE2 TYR A 66 4.771 10.449 -6.967 1.00 0.00 C ATOM 1033 CZ TYR A 66 4.583 11.843 -7.115 1.00 0.00 C ATOM 1034 OH TYR A 66 4.288 12.631 -6.045 1.00 0.00 O ATOM 0 H TYR A 66 7.025 11.320 -11.214 1.00 0.00 H new ATOM 0 HA TYR A 66 7.568 8.821 -9.944 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.131 9.807 -11.444 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.200 8.391 -10.414 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.119 12.083 -10.484 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.227 8.592 -7.969 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.553 13.491 -8.521 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.668 9.991 -5.994 1.00 0.00 H new ATOM 0 HH TYR A 66 4.020 12.069 -5.289 1.00 0.00 H new ATOM 1044 N THR A 67 7.991 7.202 -11.836 1.00 0.00 N ATOM 1045 CA THR A 67 8.454 6.312 -12.908 1.00 0.00 C ATOM 1046 C THR A 67 7.679 4.985 -12.940 1.00 0.00 C ATOM 1047 O THR A 67 8.041 4.074 -13.688 1.00 0.00 O ATOM 1048 CB THR A 67 9.982 6.128 -12.778 1.00 0.00 C ATOM 1049 OG1 THR A 67 10.399 6.102 -11.420 1.00 0.00 O ATOM 1050 CG2 THR A 67 10.716 7.296 -13.446 1.00 0.00 C ATOM 0 H THR A 67 8.177 6.839 -10.901 1.00 0.00 H new ATOM 0 HA THR A 67 8.247 6.771 -13.875 1.00 0.00 H new ATOM 0 HB THR A 67 10.221 5.179 -13.257 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.255 5.206 -11.051 1.00 0.00 H new ATOM 0 HG21 THR A 67 11.792 7.154 -13.347 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.451 7.336 -14.503 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.428 8.230 -12.964 1.00 0.00 H new ATOM 1058 N HIS A 68 6.597 4.878 -12.158 1.00 0.00 N ATOM 1059 CA HIS A 68 5.822 3.649 -11.972 1.00 0.00 C ATOM 1060 C HIS A 68 4.322 3.946 -12.100 1.00 0.00 C ATOM 1061 O HIS A 68 3.481 3.313 -11.462 1.00 0.00 O ATOM 1062 CB HIS A 68 6.199 3.002 -10.626 1.00 0.00 C ATOM 1063 CG HIS A 68 7.683 2.971 -10.349 1.00 0.00 C ATOM 1064 ND1 HIS A 68 8.594 2.041 -10.799 1.00 0.00 N ATOM 1065 CD2 HIS A 68 8.388 3.937 -9.683 1.00 0.00 C ATOM 1066 CE1 HIS A 68 9.818 2.440 -10.411 1.00 0.00 C ATOM 1067 NE2 HIS A 68 9.747 3.600 -9.729 1.00 0.00 N ATOM 0 H HIS A 68 6.229 5.665 -11.624 1.00 0.00 H new ATOM 0 HA HIS A 68 6.062 2.928 -12.753 1.00 0.00 H new ATOM 0 HB2 HIS A 68 5.702 3.545 -9.822 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.815 1.982 -10.606 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.968 4.809 -9.204 1.00 0.00 H new ATOM 0 HE1 HIS A 68 10.733 1.904 -10.618 1.00 0.00 H new ATOM 0 HE2 HIS A 68 10.524 4.125 -9.328 1.00 0.00 H new ATOM 1075 N VAL A 69 3.992 4.964 -12.892 1.00 0.00 N ATOM 1076 CA VAL A 69 2.620 5.334 -13.206 1.00 0.00 C ATOM 1077 C VAL A 69 2.116 4.334 -14.253 1.00 0.00 C ATOM 1078 O VAL A 69 2.858 3.986 -15.176 1.00 0.00 O ATOM 1079 CB VAL A 69 2.574 6.782 -13.741 1.00 0.00 C ATOM 1080 CG1 VAL A 69 1.130 7.282 -13.898 1.00 0.00 C ATOM 1081 CG2 VAL A 69 3.328 7.774 -12.841 1.00 0.00 C ATOM 0 H VAL A 69 4.685 5.563 -13.340 1.00 0.00 H new ATOM 0 HA VAL A 69 1.985 5.300 -12.321 1.00 0.00 H new ATOM 0 HB VAL A 69 3.066 6.743 -14.713 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.138 8.304 -14.276 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.597 6.640 -14.599 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.629 7.257 -12.930 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.261 8.775 -13.267 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.883 7.773 -11.846 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.375 7.479 -12.771 1.00 0.00 H new ATOM 1091 N GLU A 70 0.858 3.905 -14.155 1.00 0.00 N ATOM 1092 CA GLU A 70 0.205 3.109 -15.188 1.00 0.00 C ATOM 1093 C GLU A 70 -1.288 3.422 -15.168 1.00 0.00 C ATOM 1094 O GLU A 70 -1.865 3.627 -14.097 1.00 0.00 O ATOM 1095 CB GLU A 70 0.478 1.604 -14.991 1.00 0.00 C ATOM 1096 CG GLU A 70 0.021 1.021 -13.645 1.00 0.00 C ATOM 1097 CD GLU A 70 0.316 -0.487 -13.566 1.00 0.00 C ATOM 1098 OE1 GLU A 70 1.468 -0.876 -13.267 1.00 0.00 O ATOM 1099 OE2 GLU A 70 -0.605 -1.302 -13.799 1.00 0.00 O ATOM 0 H GLU A 70 0.262 4.102 -13.351 1.00 0.00 H new ATOM 0 HA GLU A 70 0.612 3.368 -16.165 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.017 1.055 -15.792 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.549 1.429 -15.098 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.529 1.537 -12.830 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.047 1.193 -13.515 1.00 0.00 H new ATOM 1106 N ASN A 71 -1.927 3.459 -16.340 1.00 0.00 N ATOM 1107 CA ASN A 71 -3.380 3.534 -16.397 1.00 0.00 C ATOM 1108 C ASN A 71 -3.935 2.141 -16.110 1.00 0.00 C ATOM 1109 O ASN A 71 -3.703 1.219 -16.895 1.00 0.00 O ATOM 1110 CB ASN A 71 -3.882 4.069 -17.746 1.00 0.00 C ATOM 1111 CG ASN A 71 -5.404 3.958 -17.857 1.00 0.00 C ATOM 1112 OD1 ASN A 71 -5.925 3.433 -18.835 1.00 0.00 O ATOM 1113 ND2 ASN A 71 -6.154 4.414 -16.864 1.00 0.00 N ATOM 0 H ASN A 71 -1.464 3.438 -17.249 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.734 4.242 -15.648 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.582 5.111 -17.861 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.414 3.511 -18.557 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.169 4.329 -16.911 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.716 4.850 -16.053 1.00 0.00 H new ATOM 1120 N ALA A 72 -4.657 1.984 -14.997 1.00 0.00 N ATOM 1121 CA ALA A 72 -5.292 0.717 -14.644 1.00 0.00 C ATOM 1122 C ALA A 72 -6.358 0.328 -15.679 1.00 0.00 C ATOM 1123 O ALA A 72 -6.553 -0.858 -15.949 1.00 0.00 O ATOM 1124 CB ALA A 72 -5.907 0.817 -13.244 1.00 0.00 C ATOM 0 H ALA A 72 -4.816 2.730 -14.320 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.532 -0.065 -14.642 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.379 -0.131 -12.986 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.125 1.043 -12.519 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.654 1.610 -13.231 1.00 0.00 H new ATOM 1130 N GLY A 73 -7.029 1.322 -16.264 1.00 0.00 N ATOM 1131 CA GLY A 73 -8.040 1.171 -17.298 1.00 0.00 C ATOM 1132 C GLY A 73 -8.998 2.356 -17.241 1.00 0.00 C ATOM 1133 O GLY A 73 -8.748 3.333 -16.525 1.00 0.00 O ATOM 0 H GLY A 73 -6.871 2.298 -16.014 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.568 1.117 -18.279 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.587 0.239 -17.155 1.00 0.00 H new ATOM 1137 N GLY A 74 -10.091 2.279 -17.997 1.00 0.00 N ATOM 1138 CA GLY A 74 -11.196 3.213 -17.843 1.00 0.00 C ATOM 1139 C GLY A 74 -12.052 2.769 -16.658 1.00 0.00 C ATOM 1140 O GLY A 74 -12.069 1.583 -16.323 1.00 0.00 O ATOM 0 H GLY A 74 -10.232 1.577 -18.723 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.818 4.222 -17.679 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.796 3.242 -18.753 1.00 0.00 H new ATOM 1144 N LEU A 75 -12.791 3.701 -16.047 1.00 0.00 N ATOM 1145 CA LEU A 75 -13.611 3.461 -14.852 1.00 0.00 C ATOM 1146 C LEU A 75 -14.490 2.219 -15.011 1.00 0.00 C ATOM 1147 O LEU A 75 -14.489 1.354 -14.134 1.00 0.00 O ATOM 1148 CB LEU A 75 -14.437 4.734 -14.544 1.00 0.00 C ATOM 1149 CG LEU A 75 -15.374 4.725 -13.312 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -16.693 3.967 -13.515 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -14.680 4.227 -12.040 1.00 0.00 C ATOM 0 H LEU A 75 -12.838 4.665 -16.376 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.960 3.256 -14.002 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -13.738 5.562 -14.423 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.045 4.955 -15.421 1.00 0.00 H new ATOM 0 HG LEU A 75 -15.631 5.777 -13.185 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -17.284 4.014 -12.600 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -17.252 4.422 -14.332 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -16.481 2.926 -13.757 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -15.386 4.243 -11.210 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.325 3.208 -12.194 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -13.834 4.875 -11.809 1.00 0.00 H new ATOM 1163 N LYS A 76 -15.222 2.114 -16.125 1.00 0.00 N ATOM 1164 CA LYS A 76 -16.125 0.991 -16.382 1.00 0.00 C ATOM 1165 C LYS A 76 -15.356 -0.261 -16.813 1.00 0.00 C ATOM 1166 O LYS A 76 -15.784 -1.372 -16.504 1.00 0.00 O ATOM 1167 CB LYS A 76 -17.148 1.421 -17.453 1.00 0.00 C ATOM 1168 CG LYS A 76 -18.237 0.386 -17.787 1.00 0.00 C ATOM 1169 CD LYS A 76 -19.117 0.007 -16.585 1.00 0.00 C ATOM 1170 CE LYS A 76 -20.243 -0.932 -17.042 1.00 0.00 C ATOM 1171 NZ LYS A 76 -21.138 -1.326 -15.926 1.00 0.00 N ATOM 0 H LYS A 76 -15.204 2.807 -16.874 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.649 0.729 -15.463 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -17.634 2.338 -17.118 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -16.608 1.662 -18.369 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -18.871 0.782 -18.580 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -17.763 -0.514 -18.177 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -18.513 -0.480 -15.819 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -19.540 0.905 -16.134 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -20.829 -0.441 -17.819 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -19.808 -1.826 -17.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -21.881 -1.959 -16.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -20.586 -1.819 -15.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -21.575 -0.477 -15.515 1.00 0.00 H new ATOM 1185 N ASP A 77 -14.245 -0.096 -17.537 1.00 0.00 N ATOM 1186 CA ASP A 77 -13.465 -1.207 -18.086 1.00 0.00 C ATOM 1187 C ASP A 77 -12.765 -2.006 -16.983 1.00 0.00 C ATOM 1188 O ASP A 77 -12.654 -3.228 -17.085 1.00 0.00 O ATOM 1189 CB ASP A 77 -12.426 -0.679 -19.081 1.00 0.00 C ATOM 1190 CG ASP A 77 -11.552 -1.818 -19.630 1.00 0.00 C ATOM 1191 OD1 ASP A 77 -12.044 -2.621 -20.454 1.00 0.00 O ATOM 1192 OD2 ASP A 77 -10.356 -1.891 -19.269 1.00 0.00 O ATOM 0 H ASP A 77 -13.859 0.821 -17.760 1.00 0.00 H new ATOM 0 HA ASP A 77 -14.157 -1.875 -18.598 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -12.931 -0.175 -19.905 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -11.795 0.064 -18.592 1.00 0.00 H new ATOM 1197 N ILE A 78 -12.322 -1.327 -15.920 1.00 0.00 N ATOM 1198 CA ILE A 78 -11.753 -1.943 -14.725 1.00 0.00 C ATOM 1199 C ILE A 78 -12.802 -2.900 -14.141 1.00 0.00 C ATOM 1200 O ILE A 78 -13.929 -2.488 -13.865 1.00 0.00 O ATOM 1201 CB ILE A 78 -11.313 -0.819 -13.749 1.00 0.00 C ATOM 1202 CG1 ILE A 78 -10.044 -0.132 -14.299 1.00 0.00 C ATOM 1203 CG2 ILE A 78 -11.056 -1.326 -12.317 1.00 0.00 C ATOM 1204 CD1 ILE A 78 -9.755 1.223 -13.649 1.00 0.00 C ATOM 0 H ILE A 78 -12.352 -0.309 -15.869 1.00 0.00 H new ATOM 0 HA ILE A 78 -10.862 -2.533 -14.940 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.137 -0.108 -13.684 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.189 -0.790 -14.146 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.152 0.005 -15.375 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.752 -0.492 -11.685 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.969 -1.769 -11.919 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.265 -2.076 -12.333 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.850 1.649 -14.083 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -10.593 1.897 -13.825 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.615 1.090 -12.576 1.00 0.00 H new ATOM 1216 N ALA A 79 -12.435 -4.167 -13.923 1.00 0.00 N ATOM 1217 CA ALA A 79 -13.326 -5.152 -13.308 1.00 0.00 C ATOM 1218 C ALA A 79 -13.492 -4.917 -11.797 1.00 0.00 C ATOM 1219 O ALA A 79 -14.477 -5.367 -11.210 1.00 0.00 O ATOM 1220 CB ALA A 79 -12.780 -6.561 -13.565 1.00 0.00 C ATOM 0 H ALA A 79 -11.516 -4.536 -14.167 1.00 0.00 H new ATOM 0 HA ALA A 79 -14.311 -5.045 -13.762 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.442 -7.297 -13.108 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.725 -6.740 -14.639 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.784 -6.650 -13.131 1.00 0.00 H new ATOM 1226 N MET A 80 -12.522 -4.245 -11.165 1.00 0.00 N ATOM 1227 CA MET A 80 -12.499 -3.975 -9.728 1.00 0.00 C ATOM 1228 C MET A 80 -13.741 -3.152 -9.307 1.00 0.00 C ATOM 1229 O MET A 80 -14.151 -2.273 -10.077 1.00 0.00 O ATOM 1230 CB MET A 80 -11.165 -3.288 -9.390 1.00 0.00 C ATOM 1231 CG MET A 80 -10.958 -3.070 -7.899 1.00 0.00 C ATOM 1232 SD MET A 80 -9.309 -2.478 -7.450 1.00 0.00 S ATOM 1233 CE MET A 80 -9.541 -2.409 -5.658 1.00 0.00 C ATOM 0 H MET A 80 -11.712 -3.865 -11.655 1.00 0.00 H new ATOM 0 HA MET A 80 -12.557 -4.901 -9.155 1.00 0.00 H new ATOM 0 HB2 MET A 80 -10.345 -3.892 -9.778 1.00 0.00 H new ATOM 0 HB3 MET A 80 -11.121 -2.326 -9.900 1.00 0.00 H new ATOM 0 HG2 MET A 80 -11.697 -2.352 -7.543 1.00 0.00 H new ATOM 0 HG3 MET A 80 -11.148 -4.008 -7.378 1.00 0.00 H new ATOM 0 HE1 MET A 80 -9.185 -1.450 -5.282 1.00 0.00 H new ATOM 0 HE2 MET A 80 -10.600 -2.520 -5.424 1.00 0.00 H new ATOM 0 HE3 MET A 80 -8.978 -3.215 -5.187 1.00 0.00 H new ATOM 1243 N PRO A 81 -14.353 -3.423 -8.132 1.00 0.00 N ATOM 1244 CA PRO A 81 -15.650 -2.859 -7.741 1.00 0.00 C ATOM 1245 C PRO A 81 -15.664 -1.334 -7.615 1.00 0.00 C ATOM 1246 O PRO A 81 -14.621 -0.705 -7.425 1.00 0.00 O ATOM 1247 CB PRO A 81 -16.007 -3.492 -6.390 1.00 0.00 C ATOM 1248 CG PRO A 81 -15.166 -4.761 -6.339 1.00 0.00 C ATOM 1249 CD PRO A 81 -13.910 -4.369 -7.111 1.00 0.00 C ATOM 0 HA PRO A 81 -16.373 -3.084 -8.525 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -15.770 -2.824 -5.562 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -17.072 -3.717 -6.324 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.936 -5.052 -5.314 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -15.678 -5.604 -6.802 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.171 -3.915 -6.451 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -13.440 -5.242 -7.564 1.00 0.00 H new ATOM 1257 N LYS A 82 -16.863 -0.740 -7.640 1.00 0.00 N ATOM 1258 CA LYS A 82 -17.065 0.708 -7.526 1.00 0.00 C ATOM 1259 C LYS A 82 -17.728 1.032 -6.191 1.00 0.00 C ATOM 1260 O LYS A 82 -18.378 0.170 -5.595 1.00 0.00 O ATOM 1261 CB LYS A 82 -17.959 1.260 -8.664 1.00 0.00 C ATOM 1262 CG LYS A 82 -17.813 0.611 -10.047 1.00 0.00 C ATOM 1263 CD LYS A 82 -16.394 0.663 -10.622 1.00 0.00 C ATOM 1264 CE LYS A 82 -16.342 -0.266 -11.838 1.00 0.00 C ATOM 1265 NZ LYS A 82 -14.953 -0.582 -12.217 1.00 0.00 N ATOM 0 H LYS A 82 -17.734 -1.261 -7.742 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.084 1.178 -7.596 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -18.999 1.163 -8.354 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -17.755 2.326 -8.767 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -18.128 -0.430 -9.982 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -18.492 1.106 -10.741 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -16.137 1.682 -10.910 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -15.667 0.350 -9.872 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.878 -1.188 -11.616 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -16.852 0.205 -12.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.946 -1.396 -12.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.526 0.240 -12.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.405 -0.814 -11.364 1.00 0.00 H new ATOM 1279 N VAL A 83 -17.639 2.293 -5.777 1.00 0.00 N ATOM 1280 CA VAL A 83 -18.400 2.858 -4.670 1.00 0.00 C ATOM 1281 C VAL A 83 -18.851 4.253 -5.108 1.00 0.00 C ATOM 1282 O VAL A 83 -18.096 4.982 -5.765 1.00 0.00 O ATOM 1283 CB VAL A 83 -17.587 2.870 -3.353 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -17.392 1.454 -2.794 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -16.214 3.546 -3.481 1.00 0.00 C ATOM 0 H VAL A 83 -17.016 2.970 -6.217 1.00 0.00 H new ATOM 0 HA VAL A 83 -19.271 2.243 -4.444 1.00 0.00 H new ATOM 0 HB VAL A 83 -18.187 3.463 -2.663 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -16.817 1.504 -1.869 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -18.365 1.005 -2.593 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -16.856 0.846 -3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.703 3.516 -2.519 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.617 3.019 -4.226 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.346 4.583 -3.790 1.00 0.00 H new