USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 662 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 58 LYS NZ :NH3+ -150:sc= 0.634 (180deg=0) USER MOD Set 1.2: A 62 SER OG : rot 70:sc= 1.22 USER MOD Set 2.1: A 48 CYS SG : rot 120:sc= 0.832 USER MOD Set 2.2: A 54 SER OG : rot -72:sc= 0.483 USER MOD Set 2.3: A 71 ASN : amide:sc= 0.444 K(o=1.8,f=-6.3!) USER MOD Single : A 1 ALA N :NH3+ -126:sc= 0.347 (180deg=0.000791) USER MOD Single : A 3 HIS : no HE2:sc= 0.687 K(o=0.69,f=-2.2!) USER MOD Single : A 12 GLN : amide:sc= -0.609 K(o=-0.61,f=-2.6!) USER MOD Single : A 13 TYR OH : rot 159:sc= 0.264 USER MOD Single : A 14 GLN : amide:sc= -0.0984 X(o=-0.098,f=-0.098) USER MOD Single : A 15 GLN : amide:sc=-0.00421 K(o=-0.0042,f=-0.59) USER MOD Single : A 17 HIS : no HE2:sc= 0.049 X(o=0.049,f=-0.34) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.53 F(o=-2.3,f=-0.53) USER MOD Single : A 23 ASN : amide:sc= 1.84 K(o=1.8,f=-0.41) 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= 0.0774 USER MOD Single : A 40 LYS NZ :NH3+ -177:sc= 0.225 (180deg=0.221) USER MOD Single : A 41 ASN : amide:sc= 0.594 K(o=0.59,f=0) USER MOD Single : A 43 THR OG1 : rot 102:sc= 0.0898 USER MOD Single : A 45 LYS NZ :NH3+ 140:sc= 0.241 (180deg=0) USER MOD Single : A 47 TYR OH : rot 170:sc= -0.584 USER MOD Single : A 49 ASN : amide:sc= -0.0541 K(o=-0.054,f=-2.1!) USER MOD Single : A 53 GLN : amide:sc= 0.248 K(o=0.25,f=-1.5!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 64 MET CE :methyl -161:sc= -0.266 (180deg=-0.764) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.196 USER MOD Single : A 67 THR OG1 : rot 170:sc= -1.33 USER MOD Single : A 68 HIS : no HE2:sc= 0.384 K(o=0.38,f=-1.7!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -177:sc= -7.02! (180deg=-7.65!) USER MOD Single : A 82 LYS NZ :NH3+ -149:sc= 1.28 (180deg=0.954) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.917 0.674 -1.042 1.00 0.00 N ATOM 2 CA ALA A 1 -0.232 0.244 -2.249 1.00 0.00 C ATOM 3 C ALA A 1 0.011 1.511 -3.014 1.00 0.00 C ATOM 4 O ALA A 1 -0.199 2.602 -2.478 1.00 0.00 O ATOM 5 CB ALA A 1 -1.067 -0.781 -3.017 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.408 0.317 -0.208 1.00 0.00 H new ATOM 0 H2 ALA A 1 -0.946 1.713 -1.011 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.888 0.300 -1.042 1.00 0.00 H new ATOM 0 HA ALA A 1 0.707 -0.272 -2.050 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.532 -1.086 -3.916 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -1.244 -1.652 -2.386 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.022 -0.336 -3.297 1.00 0.00 H new ATOM 13 N GLU A 2 0.523 1.367 -4.213 1.00 0.00 N ATOM 14 CA GLU A 2 0.742 2.492 -5.060 1.00 0.00 C ATOM 15 C GLU A 2 0.469 2.060 -6.475 1.00 0.00 C ATOM 16 O GLU A 2 0.670 0.898 -6.833 1.00 0.00 O ATOM 17 CB GLU A 2 2.216 2.863 -5.040 1.00 0.00 C ATOM 18 CG GLU A 2 2.805 3.430 -3.749 1.00 0.00 C ATOM 19 CD GLU A 2 4.251 3.005 -3.482 1.00 0.00 C ATOM 20 OE1 GLU A 2 4.687 1.927 -3.935 1.00 0.00 O ATOM 21 OE2 GLU A 2 4.950 3.854 -2.879 1.00 0.00 O ATOM 0 H GLU A 2 0.794 0.471 -4.617 1.00 0.00 H new ATOM 0 HA GLU A 2 0.112 3.318 -4.730 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.786 1.972 -5.302 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.385 3.593 -5.831 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.759 4.518 -3.789 1.00 0.00 H new ATOM 0 HG3 GLU A 2 2.184 3.115 -2.910 1.00 0.00 H new ATOM 28 N HIS A 3 0.193 3.062 -7.286 1.00 0.00 N ATOM 29 CA HIS A 3 0.165 2.964 -8.716 1.00 0.00 C ATOM 30 C HIS A 3 0.930 4.095 -9.296 1.00 0.00 C ATOM 31 O HIS A 3 1.006 5.190 -8.744 1.00 0.00 O ATOM 32 CB HIS A 3 -1.232 3.171 -9.248 1.00 0.00 C ATOM 33 CG HIS A 3 -1.985 1.907 -9.207 1.00 0.00 C ATOM 34 ND1 HIS A 3 -2.690 1.509 -8.110 1.00 0.00 N ATOM 35 CD2 HIS A 3 -2.083 0.945 -10.178 1.00 0.00 C ATOM 36 CE1 HIS A 3 -3.238 0.332 -8.416 1.00 0.00 C ATOM 37 NE2 HIS A 3 -2.892 -0.068 -9.656 1.00 0.00 N ATOM 0 H HIS A 3 -0.025 3.998 -6.945 1.00 0.00 H new ATOM 0 HA HIS A 3 0.561 1.982 -8.974 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.746 3.928 -8.656 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.188 3.543 -10.272 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -2.781 2.013 -7.228 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.625 0.966 -11.156 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -3.879 -0.230 -7.753 1.00 0.00 H new ATOM 45 N TRP A 4 1.487 3.802 -10.449 1.00 0.00 N ATOM 46 CA TRP A 4 2.364 4.700 -11.115 1.00 0.00 C ATOM 47 C TRP A 4 1.849 4.963 -12.484 1.00 0.00 C ATOM 48 O TRP A 4 1.342 4.064 -13.148 1.00 0.00 O ATOM 49 CB TRP A 4 3.694 4.049 -11.098 1.00 0.00 C ATOM 50 CG TRP A 4 4.149 4.165 -9.665 1.00 0.00 C ATOM 51 CD1 TRP A 4 3.658 3.723 -8.478 1.00 0.00 C ATOM 52 CD2 TRP A 4 5.480 4.439 -9.286 1.00 0.00 C ATOM 53 NE1 TRP A 4 4.404 4.294 -7.484 1.00 0.00 N ATOM 54 CE2 TRP A 4 5.661 4.221 -7.887 1.00 0.00 C ATOM 55 CE3 TRP A 4 6.494 3.995 -10.083 1.00 0.00 C ATOM 56 CZ2 TRP A 4 6.444 3.197 -7.404 1.00 0.00 C ATOM 57 CZ3 TRP A 4 7.125 2.851 -9.614 1.00 0.00 C ATOM 58 CH2 TRP A 4 6.640 2.274 -8.399 1.00 0.00 C ATOM 0 H TRP A 4 1.334 2.923 -10.944 1.00 0.00 H new ATOM 0 HA TRP A 4 2.436 5.676 -10.634 1.00 0.00 H new ATOM 0 HB2 TRP A 4 3.631 3.007 -11.412 1.00 0.00 H new ATOM 0 HB3 TRP A 4 4.388 4.545 -11.777 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.829 3.044 -8.344 1.00 0.00 H new ATOM 0 HE1 TRP A 4 4.061 4.694 -6.611 1.00 0.00 H new ATOM 0 HE3 TRP A 4 6.781 4.490 -10.999 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.841 3.131 -6.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.954 2.412 -10.149 1.00 0.00 H new ATOM 0 HH2 TRP A 4 6.448 1.218 -8.277 1.00 0.00 H new ATOM 69 N ILE A 5 1.997 6.192 -12.933 1.00 0.00 N ATOM 70 CA ILE A 5 1.343 6.603 -14.149 1.00 0.00 C ATOM 71 C ILE A 5 2.345 7.471 -14.884 1.00 0.00 C ATOM 72 O ILE A 5 2.864 8.436 -14.323 1.00 0.00 O ATOM 73 CB ILE A 5 0.036 7.355 -13.827 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.877 6.776 -12.716 1.00 0.00 C ATOM 75 CG2 ILE A 5 -0.734 7.598 -15.128 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.725 5.536 -12.992 1.00 0.00 C ATOM 0 H ILE A 5 2.558 6.913 -12.478 1.00 0.00 H new ATOM 0 HA ILE A 5 1.051 5.756 -14.770 1.00 0.00 H new ATOM 0 HB ILE A 5 0.361 8.291 -13.372 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.242 6.550 -11.860 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.556 7.571 -12.408 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.660 8.130 -14.909 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.124 8.196 -15.806 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.967 6.642 -15.597 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.296 5.280 -12.100 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.410 5.739 -13.815 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.075 4.703 -13.258 1.00 0.00 H new ATOM 88 N ASP A 6 2.646 7.098 -16.114 1.00 0.00 N ATOM 89 CA ASP A 6 3.297 7.992 -17.052 1.00 0.00 C ATOM 90 C ASP A 6 2.240 8.926 -17.634 1.00 0.00 C ATOM 91 O ASP A 6 1.284 8.436 -18.229 1.00 0.00 O ATOM 92 CB ASP A 6 3.894 7.142 -18.168 1.00 0.00 C ATOM 93 CG ASP A 6 4.357 8.007 -19.323 1.00 0.00 C ATOM 94 OD1 ASP A 6 5.009 9.042 -19.072 1.00 0.00 O ATOM 95 OD2 ASP A 6 4.065 7.621 -20.469 1.00 0.00 O ATOM 0 H ASP A 6 2.447 6.171 -16.489 1.00 0.00 H new ATOM 0 HA ASP A 6 4.078 8.577 -16.566 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.735 6.566 -17.781 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.152 6.426 -18.521 1.00 0.00 H new ATOM 100 N VAL A 7 2.391 10.242 -17.487 1.00 0.00 N ATOM 101 CA VAL A 7 1.370 11.204 -17.918 1.00 0.00 C ATOM 102 C VAL A 7 1.837 12.057 -19.100 1.00 0.00 C ATOM 103 O VAL A 7 1.335 13.160 -19.336 1.00 0.00 O ATOM 104 CB VAL A 7 0.806 12.003 -16.723 1.00 0.00 C ATOM 105 CG1 VAL A 7 0.198 11.083 -15.651 1.00 0.00 C ATOM 106 CG2 VAL A 7 1.863 12.891 -16.059 1.00 0.00 C ATOM 0 H VAL A 7 3.217 10.671 -17.070 1.00 0.00 H new ATOM 0 HA VAL A 7 0.522 10.644 -18.312 1.00 0.00 H new ATOM 0 HB VAL A 7 0.026 12.637 -17.145 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.187 11.687 -14.829 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.616 10.504 -16.088 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.965 10.405 -15.276 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.413 13.430 -15.225 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.680 12.271 -15.691 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.248 13.605 -16.787 1.00 0.00 H new ATOM 116 N ARG A 8 2.831 11.587 -19.853 1.00 0.00 N ATOM 117 CA ARG A 8 3.279 12.274 -21.052 1.00 0.00 C ATOM 118 C ARG A 8 2.812 11.521 -22.293 1.00 0.00 C ATOM 119 O ARG A 8 2.035 10.578 -22.214 1.00 0.00 O ATOM 120 CB ARG A 8 4.797 12.419 -20.992 1.00 0.00 C ATOM 121 CG ARG A 8 5.196 13.772 -21.550 1.00 0.00 C ATOM 122 CD ARG A 8 6.696 13.778 -21.750 1.00 0.00 C ATOM 123 NE ARG A 8 7.003 15.095 -22.243 1.00 0.00 N ATOM 124 CZ ARG A 8 7.769 15.444 -23.264 1.00 0.00 C ATOM 125 NH1 ARG A 8 8.479 14.575 -23.995 1.00 0.00 N ATOM 126 NH2 ARG A 8 7.774 16.746 -23.469 1.00 0.00 N ATOM 0 H ARG A 8 3.341 10.728 -19.647 1.00 0.00 H new ATOM 0 HA ARG A 8 2.844 13.272 -21.110 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.142 12.322 -19.963 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.272 11.623 -21.564 1.00 0.00 H new ATOM 0 HG2 ARG A 8 4.686 13.959 -22.495 1.00 0.00 H new ATOM 0 HG3 ARG A 8 4.901 14.567 -20.866 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.219 13.575 -20.816 1.00 0.00 H new ATOM 0 HD3 ARG A 8 7.002 13.010 -22.460 1.00 0.00 H new ATOM 0 HE ARG A 8 6.570 15.866 -21.735 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.448 13.579 -23.776 1.00 0.00 H new ATOM 0 HH12 ARG A 8 9.051 14.909 -24.771 1.00 0.00 H new ATOM 0 HH21 ARG A 8 7.224 17.359 -22.867 1.00 0.00 H new ATOM 0 HH22 ARG A 8 8.328 17.140 -24.229 1.00 0.00 H new ATOM 140 N VAL A 9 3.232 11.989 -23.465 1.00 0.00 N ATOM 141 CA VAL A 9 3.023 11.289 -24.723 1.00 0.00 C ATOM 142 C VAL A 9 3.696 9.905 -24.684 1.00 0.00 C ATOM 143 O VAL A 9 4.730 9.772 -24.021 1.00 0.00 O ATOM 144 CB VAL A 9 3.554 12.144 -25.893 1.00 0.00 C ATOM 145 CG1 VAL A 9 2.603 13.320 -26.144 1.00 0.00 C ATOM 146 CG2 VAL A 9 4.979 12.688 -25.677 1.00 0.00 C ATOM 0 H VAL A 9 3.731 12.873 -23.566 1.00 0.00 H new ATOM 0 HA VAL A 9 1.955 11.132 -24.875 1.00 0.00 H new ATOM 0 HB VAL A 9 3.600 11.479 -26.756 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.980 13.923 -26.971 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.612 12.940 -26.394 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.540 13.935 -25.246 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.278 13.278 -26.543 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.998 13.316 -24.786 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.671 11.855 -25.548 1.00 0.00 H new ATOM 156 N PRO A 10 3.178 8.913 -25.435 1.00 0.00 N ATOM 157 CA PRO A 10 3.770 7.580 -25.519 1.00 0.00 C ATOM 158 C PRO A 10 5.214 7.574 -26.001 1.00 0.00 C ATOM 159 O PRO A 10 5.909 6.576 -25.867 1.00 0.00 O ATOM 160 CB PRO A 10 2.912 6.772 -26.494 1.00 0.00 C ATOM 161 CG PRO A 10 1.717 7.646 -26.859 1.00 0.00 C ATOM 162 CD PRO A 10 1.948 9.003 -26.204 1.00 0.00 C ATOM 0 HA PRO A 10 3.790 7.154 -24.516 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.483 6.507 -27.384 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.583 5.839 -26.037 1.00 0.00 H new ATOM 0 HG2 PRO A 10 1.629 7.749 -27.941 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.788 7.199 -26.505 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.024 9.785 -26.959 1.00 0.00 H new ATOM 0 HD3 PRO A 10 1.110 9.264 -25.558 1.00 0.00 H new ATOM 170 N GLU A 11 5.658 8.659 -26.607 1.00 0.00 N ATOM 171 CA GLU A 11 6.973 8.804 -27.155 1.00 0.00 C ATOM 172 C GLU A 11 8.080 8.508 -26.160 1.00 0.00 C ATOM 173 O GLU A 11 9.076 7.874 -26.509 1.00 0.00 O ATOM 174 CB GLU A 11 7.044 10.255 -27.599 1.00 0.00 C ATOM 175 CG GLU A 11 7.874 10.244 -28.860 1.00 0.00 C ATOM 176 CD GLU A 11 7.789 11.591 -29.557 1.00 0.00 C ATOM 177 OE1 GLU A 11 6.645 12.018 -29.832 1.00 0.00 O ATOM 178 OE2 GLU A 11 8.868 12.192 -29.739 1.00 0.00 O ATOM 0 H GLU A 11 5.081 9.491 -26.730 1.00 0.00 H new ATOM 0 HA GLU A 11 7.127 8.090 -27.964 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.049 10.658 -27.786 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.502 10.879 -26.832 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.912 10.016 -28.618 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.523 9.458 -29.528 1.00 0.00 H new ATOM 185 N GLN A 12 7.903 8.945 -24.911 1.00 0.00 N ATOM 186 CA GLN A 12 8.865 8.578 -23.893 1.00 0.00 C ATOM 187 C GLN A 12 8.720 7.097 -23.552 1.00 0.00 C ATOM 188 O GLN A 12 9.712 6.382 -23.512 1.00 0.00 O ATOM 189 CB GLN A 12 8.761 9.493 -22.680 1.00 0.00 C ATOM 190 CG GLN A 12 7.471 9.433 -21.852 1.00 0.00 C ATOM 191 CD GLN A 12 7.853 9.679 -20.407 1.00 0.00 C ATOM 192 OE1 GLN A 12 8.347 10.752 -20.072 1.00 0.00 O ATOM 193 NE2 GLN A 12 7.683 8.698 -19.546 1.00 0.00 N ATOM 0 H GLN A 12 7.130 9.531 -24.596 1.00 0.00 H new ATOM 0 HA GLN A 12 9.874 8.719 -24.279 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.596 9.268 -22.017 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.893 10.520 -23.022 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.759 10.184 -22.195 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.988 8.462 -21.962 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.270 7.817 -19.852 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.964 8.819 -18.573 1.00 0.00 H new ATOM 202 N TYR A 13 7.477 6.620 -23.446 1.00 0.00 N ATOM 203 CA TYR A 13 7.154 5.263 -23.027 1.00 0.00 C ATOM 204 C TYR A 13 7.811 4.220 -23.927 1.00 0.00 C ATOM 205 O TYR A 13 8.283 3.188 -23.448 1.00 0.00 O ATOM 206 CB TYR A 13 5.628 5.117 -23.047 1.00 0.00 C ATOM 207 CG TYR A 13 5.079 3.954 -22.271 1.00 0.00 C ATOM 208 CD1 TYR A 13 4.854 2.661 -22.808 1.00 0.00 C ATOM 209 CD2 TYR A 13 4.730 4.242 -20.954 1.00 0.00 C ATOM 210 CE1 TYR A 13 4.254 1.660 -22.002 1.00 0.00 C ATOM 211 CE2 TYR A 13 4.136 3.293 -20.171 1.00 0.00 C ATOM 212 CZ TYR A 13 3.900 2.022 -20.668 1.00 0.00 C ATOM 213 OH TYR A 13 3.408 1.286 -19.667 1.00 0.00 O ATOM 0 H TYR A 13 6.652 7.183 -23.655 1.00 0.00 H new ATOM 0 HA TYR A 13 7.541 5.090 -22.023 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.188 6.034 -22.654 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.303 5.026 -24.083 1.00 0.00 H new ATOM 0 HD1 TYR A 13 5.138 2.439 -23.826 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.930 5.223 -20.549 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.073 0.665 -22.382 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.849 3.535 -19.158 1.00 0.00 H new ATOM 0 HH TYR A 13 3.589 1.732 -18.813 1.00 0.00 H new ATOM 223 N GLN A 14 7.865 4.530 -25.227 1.00 0.00 N ATOM 224 CA GLN A 14 8.481 3.685 -26.240 1.00 0.00 C ATOM 225 C GLN A 14 9.958 3.440 -25.968 1.00 0.00 C ATOM 226 O GLN A 14 10.454 2.340 -26.212 1.00 0.00 O ATOM 227 CB GLN A 14 8.376 4.352 -27.623 1.00 0.00 C ATOM 228 CG GLN A 14 6.980 4.397 -28.228 1.00 0.00 C ATOM 229 CD GLN A 14 6.350 3.027 -28.306 1.00 0.00 C ATOM 230 OE1 GLN A 14 6.846 2.133 -28.969 1.00 0.00 O ATOM 231 NE2 GLN A 14 5.226 2.867 -27.635 1.00 0.00 N ATOM 0 H GLN A 14 7.473 5.392 -25.605 1.00 0.00 H new ATOM 0 HA GLN A 14 7.947 2.735 -26.213 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.751 5.372 -27.544 1.00 0.00 H new ATOM 0 HB3 GLN A 14 9.034 3.823 -28.312 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.347 5.053 -27.630 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.032 4.829 -29.227 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.842 3.640 -27.091 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.740 1.970 -27.660 1.00 0.00 H new ATOM 240 N GLN A 15 10.688 4.449 -25.500 1.00 0.00 N ATOM 241 CA GLN A 15 12.112 4.254 -25.290 1.00 0.00 C ATOM 242 C GLN A 15 12.392 3.706 -23.916 1.00 0.00 C ATOM 243 O GLN A 15 13.123 2.715 -23.829 1.00 0.00 O ATOM 244 CB GLN A 15 12.933 5.483 -25.573 1.00 0.00 C ATOM 245 CG GLN A 15 12.333 6.815 -25.194 1.00 0.00 C ATOM 246 CD GLN A 15 13.160 7.863 -25.898 1.00 0.00 C ATOM 247 OE1 GLN A 15 14.276 7.673 -26.375 1.00 0.00 O ATOM 248 NE2 GLN A 15 12.520 8.985 -26.087 1.00 0.00 N ATOM 0 H GLN A 15 10.331 5.376 -25.267 1.00 0.00 H new ATOM 0 HA GLN A 15 12.427 3.512 -26.024 1.00 0.00 H new ATOM 0 HB2 GLN A 15 13.885 5.381 -25.052 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.154 5.503 -26.640 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.288 6.873 -25.500 1.00 0.00 H new ATOM 0 HG3 GLN A 15 12.357 6.960 -24.114 1.00 0.00 H new ATOM 0 HE21 GLN A 15 11.594 9.119 -25.680 1.00 0.00 H new ATOM 0 HE22 GLN A 15 12.946 9.728 -26.641 1.00 0.00 H new ATOM 257 N GLU A 16 11.749 4.253 -22.883 1.00 0.00 N ATOM 258 CA GLU A 16 11.734 3.640 -21.573 1.00 0.00 C ATOM 259 C GLU A 16 10.606 4.236 -20.732 1.00 0.00 C ATOM 260 O GLU A 16 10.239 5.402 -20.853 1.00 0.00 O ATOM 261 CB GLU A 16 13.098 3.766 -20.865 1.00 0.00 C ATOM 262 CG GLU A 16 13.427 5.217 -20.484 1.00 0.00 C ATOM 263 CD GLU A 16 14.905 5.583 -20.598 1.00 0.00 C ATOM 264 OE1 GLU A 16 15.715 4.899 -19.926 1.00 0.00 O ATOM 265 OE2 GLU A 16 15.185 6.598 -21.275 1.00 0.00 O ATOM 0 H GLU A 16 11.229 5.129 -22.940 1.00 0.00 H new ATOM 0 HA GLU A 16 11.547 2.573 -21.697 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.097 3.149 -19.967 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.880 3.378 -21.517 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.850 5.886 -21.122 1.00 0.00 H new ATOM 0 HG3 GLU A 16 13.100 5.393 -19.459 1.00 0.00 H new ATOM 272 N HIS A 17 10.073 3.433 -19.825 1.00 0.00 N ATOM 273 CA HIS A 17 9.116 3.855 -18.828 1.00 0.00 C ATOM 274 C HIS A 17 9.472 3.154 -17.539 1.00 0.00 C ATOM 275 O HIS A 17 10.042 2.062 -17.523 1.00 0.00 O ATOM 276 CB HIS A 17 7.675 3.529 -19.252 1.00 0.00 C ATOM 277 CG HIS A 17 7.410 2.072 -19.565 1.00 0.00 C ATOM 278 ND1 HIS A 17 7.669 1.478 -20.775 1.00 0.00 N ATOM 279 CD2 HIS A 17 6.822 1.115 -18.773 1.00 0.00 C ATOM 280 CE1 HIS A 17 7.276 0.196 -20.709 1.00 0.00 C ATOM 281 NE2 HIS A 17 6.756 -0.078 -19.498 1.00 0.00 N ATOM 0 H HIS A 17 10.305 2.441 -19.765 1.00 0.00 H new ATOM 0 HA HIS A 17 9.160 4.937 -18.703 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.999 3.842 -18.456 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.429 4.124 -20.132 1.00 0.00 H new ATOM 0 HD1 HIS A 17 8.088 1.933 -21.586 1.00 0.00 H new ATOM 0 HD2 HIS A 17 6.471 1.260 -17.762 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.365 -0.517 -21.516 1.00 0.00 H new ATOM 289 N VAL A 18 9.114 3.792 -16.437 1.00 0.00 N ATOM 290 CA VAL A 18 9.162 3.182 -15.130 1.00 0.00 C ATOM 291 C VAL A 18 8.368 1.879 -15.172 1.00 0.00 C ATOM 292 O VAL A 18 7.216 1.852 -15.613 1.00 0.00 O ATOM 293 CB VAL A 18 8.619 4.210 -14.143 1.00 0.00 C ATOM 294 CG1 VAL A 18 8.419 3.639 -12.758 1.00 0.00 C ATOM 295 CG2 VAL A 18 9.598 5.382 -14.000 1.00 0.00 C ATOM 0 H VAL A 18 8.780 4.756 -16.430 1.00 0.00 H new ATOM 0 HA VAL A 18 10.170 2.913 -14.813 1.00 0.00 H new ATOM 0 HB VAL A 18 7.659 4.531 -14.547 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.031 4.414 -12.097 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.709 2.813 -12.804 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.372 3.277 -12.372 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.196 6.107 -13.292 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.557 5.013 -13.636 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.737 5.860 -14.970 1.00 0.00 H new ATOM 305 N GLN A 19 9.007 0.807 -14.719 1.00 0.00 N ATOM 306 CA GLN A 19 8.454 -0.522 -14.725 1.00 0.00 C ATOM 307 C GLN A 19 7.227 -0.483 -13.835 1.00 0.00 C ATOM 308 O GLN A 19 7.375 -0.350 -12.625 1.00 0.00 O ATOM 309 CB GLN A 19 9.520 -1.457 -14.138 1.00 0.00 C ATOM 310 CG GLN A 19 9.172 -2.949 -14.168 1.00 0.00 C ATOM 311 CD GLN A 19 8.328 -3.451 -12.990 1.00 0.00 C ATOM 312 OE1 GLN A 19 7.018 -3.266 -12.990 1.00 0.00 O flip ATOM 313 NE2 GLN A 19 8.856 -4.043 -12.060 1.00 0.00 N flip ATOM 0 H GLN A 19 9.949 0.850 -14.329 1.00 0.00 H new ATOM 0 HA GLN A 19 8.178 -0.869 -15.721 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.451 -1.307 -14.684 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.706 -1.165 -13.104 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.636 -3.161 -15.093 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.100 -3.521 -14.198 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.866 -4.188 -12.055 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.287 -4.392 -11.289 1.00 0.00 H new ATOM 322 N GLY A 20 6.028 -0.658 -14.384 1.00 0.00 N ATOM 323 CA GLY A 20 4.825 -0.728 -13.564 1.00 0.00 C ATOM 324 C GLY A 20 3.949 0.477 -13.817 1.00 0.00 C ATOM 325 O GLY A 20 2.788 0.475 -13.422 1.00 0.00 O ATOM 0 H GLY A 20 5.865 -0.753 -15.386 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.274 -1.641 -13.791 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.097 -0.774 -12.510 1.00 0.00 H new ATOM 329 N ALA A 21 4.486 1.499 -14.482 1.00 0.00 N ATOM 330 CA ALA A 21 3.674 2.595 -14.927 1.00 0.00 C ATOM 331 C ALA A 21 2.817 2.172 -16.109 1.00 0.00 C ATOM 332 O ALA A 21 3.134 1.213 -16.807 1.00 0.00 O ATOM 333 CB ALA A 21 4.568 3.762 -15.304 1.00 0.00 C ATOM 0 H ALA A 21 5.476 1.577 -14.716 1.00 0.00 H new ATOM 0 HA ALA A 21 3.008 2.903 -14.121 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.954 4.596 -15.643 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.151 4.069 -14.436 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.243 3.460 -16.105 1.00 0.00 H new ATOM 339 N ILE A 22 1.806 2.987 -16.383 1.00 0.00 N ATOM 340 CA ILE A 22 0.901 2.911 -17.520 1.00 0.00 C ATOM 341 C ILE A 22 0.846 4.297 -18.135 1.00 0.00 C ATOM 342 O ILE A 22 0.817 5.274 -17.389 1.00 0.00 O ATOM 343 CB ILE A 22 -0.518 2.444 -17.104 1.00 0.00 C ATOM 344 CG1 ILE A 22 -0.917 2.681 -15.628 1.00 0.00 C ATOM 345 CG2 ILE A 22 -0.581 0.951 -17.390 1.00 0.00 C ATOM 346 CD1 ILE A 22 -2.297 2.121 -15.243 1.00 0.00 C ATOM 0 H ILE A 22 1.582 3.773 -15.773 1.00 0.00 H new ATOM 0 HA ILE A 22 1.266 2.174 -18.235 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.224 3.048 -17.674 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.163 2.229 -14.984 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.905 3.753 -15.429 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.564 0.569 -17.114 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.409 0.776 -18.452 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.185 0.437 -16.809 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.495 2.332 -14.192 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.065 2.591 -15.858 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.311 1.043 -15.406 1.00 0.00 H new ATOM 358 N ASN A 23 0.865 4.377 -19.467 1.00 0.00 N ATOM 359 CA ASN A 23 0.777 5.644 -20.184 1.00 0.00 C ATOM 360 C ASN A 23 -0.660 6.144 -20.162 1.00 0.00 C ATOM 361 O ASN A 23 -1.543 5.497 -20.722 1.00 0.00 O ATOM 362 CB ASN A 23 1.271 5.496 -21.632 1.00 0.00 C ATOM 363 CG ASN A 23 1.101 6.800 -22.410 1.00 0.00 C ATOM 364 OD1 ASN A 23 0.218 6.943 -23.245 1.00 0.00 O ATOM 365 ND2 ASN A 23 1.937 7.779 -22.132 1.00 0.00 N ATOM 0 H ASN A 23 0.942 3.563 -20.076 1.00 0.00 H new ATOM 0 HA ASN A 23 1.419 6.371 -19.686 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.321 5.203 -21.633 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.718 4.699 -22.128 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.854 8.673 -22.616 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.667 7.643 -21.433 1.00 0.00 H new ATOM 372 N ILE A 24 -0.895 7.282 -19.517 1.00 0.00 N ATOM 373 CA ILE A 24 -2.178 7.965 -19.421 1.00 0.00 C ATOM 374 C ILE A 24 -1.883 9.468 -19.545 1.00 0.00 C ATOM 375 O ILE A 24 -1.744 10.139 -18.521 1.00 0.00 O ATOM 376 CB ILE A 24 -2.909 7.604 -18.107 1.00 0.00 C ATOM 377 CG1 ILE A 24 -2.977 6.073 -17.922 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.309 8.225 -18.147 1.00 0.00 C ATOM 379 CD1 ILE A 24 -3.936 5.582 -16.847 1.00 0.00 C ATOM 0 H ILE A 24 -0.155 7.778 -19.021 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.856 7.653 -20.216 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.361 8.003 -17.253 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.264 5.623 -18.872 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.977 5.709 -17.685 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.841 7.981 -17.228 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.224 9.308 -18.241 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.859 7.828 -19.001 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.905 4.493 -16.801 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.642 5.994 -15.882 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.949 5.906 -17.087 1.00 0.00 H new ATOM 391 N PRO A 25 -1.740 9.995 -20.775 1.00 0.00 N ATOM 392 CA PRO A 25 -1.279 11.353 -21.018 1.00 0.00 C ATOM 393 C PRO A 25 -2.059 12.415 -20.248 1.00 0.00 C ATOM 394 O PRO A 25 -3.256 12.274 -19.989 1.00 0.00 O ATOM 395 CB PRO A 25 -1.390 11.573 -22.530 1.00 0.00 C ATOM 396 CG PRO A 25 -1.279 10.163 -23.103 1.00 0.00 C ATOM 397 CD PRO A 25 -1.965 9.310 -22.040 1.00 0.00 C ATOM 0 HA PRO A 25 -0.255 11.460 -20.659 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.336 12.042 -22.799 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.596 12.221 -22.901 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.775 10.079 -24.070 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.240 9.867 -23.250 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -3.031 9.210 -22.246 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.549 8.303 -22.019 1.00 0.00 H new ATOM 405 N LEU A 26 -1.392 13.541 -19.984 1.00 0.00 N ATOM 406 CA LEU A 26 -1.920 14.675 -19.225 1.00 0.00 C ATOM 407 C LEU A 26 -3.296 15.114 -19.715 1.00 0.00 C ATOM 408 O LEU A 26 -4.163 15.488 -18.936 1.00 0.00 O ATOM 409 CB LEU A 26 -0.900 15.824 -19.334 1.00 0.00 C ATOM 410 CG LEU A 26 -1.372 17.156 -18.715 1.00 0.00 C ATOM 411 CD1 LEU A 26 -1.619 17.056 -17.220 1.00 0.00 C ATOM 412 CD2 LEU A 26 -0.303 18.235 -18.854 1.00 0.00 C ATOM 0 H LEU A 26 -0.436 13.693 -20.305 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.058 14.380 -18.185 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.026 15.519 -18.847 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.667 15.989 -20.386 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.290 17.397 -19.250 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.949 18.023 -16.840 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.389 16.309 -17.028 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.697 16.764 -16.718 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.663 19.163 -18.409 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.605 17.916 -18.343 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.086 18.399 -19.910 1.00 0.00 H new ATOM 424 N LYS A 27 -3.503 15.051 -21.022 1.00 0.00 N ATOM 425 CA LYS A 27 -4.736 15.489 -21.651 1.00 0.00 C ATOM 426 C LYS A 27 -5.946 14.660 -21.317 1.00 0.00 C ATOM 427 O LYS A 27 -7.060 15.089 -21.600 1.00 0.00 O ATOM 428 CB LYS A 27 -4.543 15.421 -23.140 1.00 0.00 C ATOM 429 CG LYS A 27 -3.383 16.353 -23.430 1.00 0.00 C ATOM 430 CD LYS A 27 -3.950 17.181 -24.529 1.00 0.00 C ATOM 431 CE LYS A 27 -2.846 18.164 -24.676 1.00 0.00 C ATOM 432 NZ LYS A 27 -2.819 18.621 -26.036 1.00 0.00 N ATOM 0 H LYS A 27 -2.812 14.691 -21.680 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.930 16.494 -21.276 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.322 14.404 -23.463 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.443 15.735 -23.669 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.109 16.952 -22.562 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.488 15.813 -23.740 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.127 16.608 -25.439 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.896 17.649 -24.258 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.994 19.004 -23.997 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.893 17.705 -24.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -2.050 19.311 -26.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.660 17.813 -26.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.727 19.071 -26.269 1.00 0.00 H new ATOM 446 N GLU A 28 -5.714 13.483 -20.771 1.00 0.00 N ATOM 447 CA GLU A 28 -6.722 12.469 -20.657 1.00 0.00 C ATOM 448 C GLU A 28 -6.773 11.910 -19.237 1.00 0.00 C ATOM 449 O GLU A 28 -7.730 11.228 -18.863 1.00 0.00 O ATOM 450 CB GLU A 28 -6.394 11.373 -21.655 1.00 0.00 C ATOM 451 CG GLU A 28 -6.340 11.816 -23.121 1.00 0.00 C ATOM 452 CD GLU A 28 -6.485 10.613 -24.054 1.00 0.00 C ATOM 453 OE1 GLU A 28 -7.350 9.759 -23.751 1.00 0.00 O ATOM 454 OE2 GLU A 28 -5.678 10.492 -24.997 1.00 0.00 O ATOM 0 H GLU A 28 -4.807 13.209 -20.392 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.704 12.892 -20.871 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.431 10.938 -21.388 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.138 10.582 -21.559 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.136 12.534 -23.319 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.396 12.324 -23.318 1.00 0.00 H new ATOM 461 N VAL A 29 -5.749 12.205 -18.426 1.00 0.00 N ATOM 462 CA VAL A 29 -5.601 11.694 -17.071 1.00 0.00 C ATOM 463 C VAL A 29 -6.845 11.973 -16.234 1.00 0.00 C ATOM 464 O VAL A 29 -7.255 11.139 -15.431 1.00 0.00 O ATOM 465 CB VAL A 29 -4.291 12.246 -16.461 1.00 0.00 C ATOM 466 CG1 VAL A 29 -4.391 13.693 -15.950 1.00 0.00 C ATOM 467 CG2 VAL A 29 -3.804 11.336 -15.331 1.00 0.00 C ATOM 0 H VAL A 29 -4.986 12.821 -18.707 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.515 10.608 -17.086 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.572 12.259 -17.280 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.430 14.001 -15.539 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.661 14.352 -16.775 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.154 13.753 -15.174 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.881 11.738 -14.912 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.564 11.285 -14.552 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.619 10.336 -15.723 1.00 0.00 H new ATOM 477 N LYS A 30 -7.494 13.106 -16.485 1.00 0.00 N ATOM 478 CA LYS A 30 -8.661 13.536 -15.755 1.00 0.00 C ATOM 479 C LYS A 30 -9.796 12.524 -15.784 1.00 0.00 C ATOM 480 O LYS A 30 -10.557 12.454 -14.831 1.00 0.00 O ATOM 481 CB LYS A 30 -9.100 14.833 -16.392 1.00 0.00 C ATOM 482 CG LYS A 30 -9.854 15.663 -15.381 1.00 0.00 C ATOM 483 CD LYS A 30 -10.097 16.940 -16.157 1.00 0.00 C ATOM 484 CE LYS A 30 -11.100 17.700 -15.351 1.00 0.00 C ATOM 485 NZ LYS A 30 -11.367 18.982 -16.000 1.00 0.00 N ATOM 0 H LYS A 30 -7.210 13.757 -17.217 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.408 13.653 -14.701 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.232 15.384 -16.755 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.733 14.630 -17.256 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.785 15.187 -15.073 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.271 15.837 -14.477 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.175 17.509 -16.278 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -10.474 16.728 -17.157 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.022 17.126 -15.261 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -10.725 17.862 -14.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.065 19.515 -15.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.485 19.529 -16.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -11.742 18.816 -16.956 1.00 0.00 H new ATOM 499 N GLU A 31 -9.920 11.760 -16.860 1.00 0.00 N ATOM 500 CA GLU A 31 -11.007 10.801 -17.014 1.00 0.00 C ATOM 501 C GLU A 31 -10.504 9.397 -16.808 1.00 0.00 C ATOM 502 O GLU A 31 -11.176 8.542 -16.239 1.00 0.00 O ATOM 503 CB GLU A 31 -11.599 10.923 -18.415 1.00 0.00 C ATOM 504 CG GLU A 31 -12.234 12.312 -18.497 1.00 0.00 C ATOM 505 CD GLU A 31 -13.385 12.417 -19.483 1.00 0.00 C ATOM 506 OE1 GLU A 31 -14.217 11.483 -19.507 1.00 0.00 O ATOM 507 OE2 GLU A 31 -13.452 13.482 -20.134 1.00 0.00 O ATOM 0 H GLU A 31 -9.273 11.786 -17.648 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.771 11.016 -16.267 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.826 10.804 -19.175 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.342 10.145 -18.592 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -12.593 12.594 -17.507 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -11.466 13.034 -18.775 1.00 0.00 H new ATOM 514 N ARG A 32 -9.286 9.137 -17.249 1.00 0.00 N ATOM 515 CA ARG A 32 -8.785 7.776 -17.255 1.00 0.00 C ATOM 516 C ARG A 32 -8.271 7.330 -15.920 1.00 0.00 C ATOM 517 O ARG A 32 -8.100 6.133 -15.713 1.00 0.00 O ATOM 518 CB ARG A 32 -7.669 7.738 -18.248 1.00 0.00 C ATOM 519 CG ARG A 32 -8.385 7.809 -19.568 1.00 0.00 C ATOM 520 CD ARG A 32 -7.325 8.159 -20.574 1.00 0.00 C ATOM 521 NE ARG A 32 -7.338 6.992 -21.320 1.00 0.00 N ATOM 522 CZ ARG A 32 -6.794 6.724 -22.451 1.00 0.00 C ATOM 523 NH1 ARG A 32 -5.907 7.514 -23.042 1.00 0.00 N ATOM 524 NH2 ARG A 32 -7.276 5.563 -22.830 1.00 0.00 N ATOM 0 H ARG A 32 -8.635 9.838 -17.602 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.602 7.101 -17.508 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.983 8.575 -18.116 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -7.080 6.825 -18.158 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.859 6.858 -19.810 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.173 8.562 -19.548 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.580 9.039 -21.165 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.356 8.354 -20.114 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.864 6.223 -20.904 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.624 8.387 -22.596 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.508 7.249 -23.942 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.950 5.074 -22.241 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.977 5.151 -23.714 1.00 0.00 H new ATOM 538 N ILE A 33 -8.000 8.271 -15.023 1.00 0.00 N ATOM 539 CA ILE A 33 -7.617 7.901 -13.683 1.00 0.00 C ATOM 540 C ILE A 33 -8.682 7.003 -13.048 1.00 0.00 C ATOM 541 O ILE A 33 -8.319 6.083 -12.329 1.00 0.00 O ATOM 542 CB ILE A 33 -7.310 9.157 -12.850 1.00 0.00 C ATOM 543 CG1 ILE A 33 -6.692 8.780 -11.488 1.00 0.00 C ATOM 544 CG2 ILE A 33 -8.559 10.041 -12.656 1.00 0.00 C ATOM 545 CD1 ILE A 33 -5.302 8.143 -11.610 1.00 0.00 C ATOM 0 H ILE A 33 -8.039 9.274 -15.202 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.699 7.314 -13.716 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.580 9.742 -13.410 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -6.622 9.674 -10.868 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.358 8.087 -10.974 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.296 10.917 -12.062 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -8.933 10.361 -13.629 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.332 9.471 -12.140 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.924 7.902 -10.617 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.370 7.231 -12.204 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.623 8.843 -12.097 1.00 0.00 H new ATOM 557 N ALA A 34 -9.970 7.211 -13.353 1.00 0.00 N ATOM 558 CA ALA A 34 -11.048 6.457 -12.735 1.00 0.00 C ATOM 559 C ALA A 34 -10.980 4.973 -13.096 1.00 0.00 C ATOM 560 O ALA A 34 -11.365 4.134 -12.286 1.00 0.00 O ATOM 561 CB ALA A 34 -12.391 7.048 -13.170 1.00 0.00 C ATOM 0 H ALA A 34 -10.284 7.904 -14.032 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.943 6.532 -11.653 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.203 6.485 -12.709 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.448 8.090 -12.857 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.480 6.990 -14.255 1.00 0.00 H new ATOM 567 N THR A 35 -10.498 4.639 -14.292 1.00 0.00 N ATOM 568 CA THR A 35 -10.337 3.265 -14.731 1.00 0.00 C ATOM 569 C THR A 35 -8.978 2.700 -14.313 1.00 0.00 C ATOM 570 O THR A 35 -8.867 1.493 -14.109 1.00 0.00 O ATOM 571 CB THR A 35 -10.561 3.206 -16.255 1.00 0.00 C ATOM 572 OG1 THR A 35 -10.145 4.386 -16.926 1.00 0.00 O ATOM 573 CG2 THR A 35 -12.055 3.063 -16.551 1.00 0.00 C ATOM 0 H THR A 35 -10.207 5.327 -14.987 1.00 0.00 H new ATOM 0 HA THR A 35 -11.080 2.632 -14.246 1.00 0.00 H new ATOM 0 HB THR A 35 -9.973 2.358 -16.607 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.309 4.291 -17.887 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.210 3.022 -17.629 1.00 0.00 H new ATOM 0 HG22 THR A 35 -12.430 2.147 -16.095 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.591 3.919 -16.140 1.00 0.00 H new ATOM 581 N ALA A 36 -7.952 3.545 -14.177 1.00 0.00 N ATOM 582 CA ALA A 36 -6.620 3.109 -13.785 1.00 0.00 C ATOM 583 C ALA A 36 -6.536 2.836 -12.282 1.00 0.00 C ATOM 584 O ALA A 36 -5.887 1.880 -11.870 1.00 0.00 O ATOM 585 CB ALA A 36 -5.619 4.192 -14.185 1.00 0.00 C ATOM 0 H ALA A 36 -8.027 4.550 -14.337 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.389 2.173 -14.294 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.614 3.882 -13.899 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.659 4.343 -15.264 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.870 5.124 -13.678 1.00 0.00 H new ATOM 591 N VAL A 37 -7.174 3.681 -11.472 1.00 0.00 N ATOM 592 CA VAL A 37 -7.098 3.659 -10.018 1.00 0.00 C ATOM 593 C VAL A 37 -8.501 4.015 -9.498 1.00 0.00 C ATOM 594 O VAL A 37 -8.782 5.184 -9.216 1.00 0.00 O ATOM 595 CB VAL A 37 -5.999 4.606 -9.484 1.00 0.00 C ATOM 596 CG1 VAL A 37 -5.755 4.295 -8.001 1.00 0.00 C ATOM 597 CG2 VAL A 37 -4.656 4.492 -10.224 1.00 0.00 C ATOM 0 H VAL A 37 -7.777 4.423 -11.826 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.807 2.673 -9.656 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.366 5.620 -9.643 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.981 4.957 -7.613 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.677 4.447 -7.441 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.433 3.259 -7.895 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.940 5.189 -9.788 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.275 3.475 -10.131 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.800 4.731 -11.278 1.00 0.00 H new ATOM 607 N PRO A 38 -9.416 3.030 -9.432 1.00 0.00 N ATOM 608 CA PRO A 38 -10.798 3.275 -9.045 1.00 0.00 C ATOM 609 C PRO A 38 -10.957 3.789 -7.615 1.00 0.00 C ATOM 610 O PRO A 38 -11.952 4.452 -7.325 1.00 0.00 O ATOM 611 CB PRO A 38 -11.550 1.955 -9.213 1.00 0.00 C ATOM 612 CG PRO A 38 -10.536 0.927 -9.709 1.00 0.00 C ATOM 613 CD PRO A 38 -9.197 1.647 -9.824 1.00 0.00 C ATOM 0 HA PRO A 38 -11.199 4.064 -9.681 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.990 1.638 -8.267 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -12.368 2.065 -9.925 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.465 0.088 -9.016 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -10.839 0.519 -10.673 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.452 1.178 -9.181 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.817 1.592 -10.844 1.00 0.00 H new ATOM 621 N ASP A 39 -10.005 3.487 -6.730 1.00 0.00 N ATOM 622 CA ASP A 39 -10.019 3.968 -5.359 1.00 0.00 C ATOM 623 C ASP A 39 -9.052 5.129 -5.255 1.00 0.00 C ATOM 624 O ASP A 39 -7.840 4.944 -5.204 1.00 0.00 O ATOM 625 CB ASP A 39 -9.615 2.868 -4.380 1.00 0.00 C ATOM 626 CG ASP A 39 -9.490 3.455 -2.968 1.00 0.00 C ATOM 627 OD1 ASP A 39 -10.327 4.328 -2.628 1.00 0.00 O ATOM 628 OD2 ASP A 39 -8.532 3.076 -2.265 1.00 0.00 O ATOM 0 H ASP A 39 -9.202 2.899 -6.951 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.030 4.283 -5.100 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.357 2.070 -4.388 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.667 2.425 -4.686 1.00 0.00 H new ATOM 633 N LYS A 40 -9.567 6.351 -5.268 1.00 0.00 N ATOM 634 CA LYS A 40 -8.683 7.518 -5.250 1.00 0.00 C ATOM 635 C LYS A 40 -7.932 7.746 -3.948 1.00 0.00 C ATOM 636 O LYS A 40 -7.153 8.702 -3.872 1.00 0.00 O ATOM 637 CB LYS A 40 -9.409 8.782 -5.594 1.00 0.00 C ATOM 638 CG LYS A 40 -10.850 8.827 -5.229 1.00 0.00 C ATOM 639 CD LYS A 40 -11.174 10.299 -5.446 1.00 0.00 C ATOM 640 CE LYS A 40 -12.449 10.150 -6.194 1.00 0.00 C ATOM 641 NZ LYS A 40 -13.226 11.360 -6.070 1.00 0.00 N ATOM 0 H LYS A 40 -10.565 6.562 -5.290 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.944 7.273 -6.013 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.904 9.613 -5.102 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.321 8.947 -6.668 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.454 8.177 -5.862 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.022 8.517 -4.198 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.296 10.845 -4.511 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.407 10.818 -6.021 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -12.244 9.943 -7.244 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.013 9.302 -5.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.140 11.237 -6.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.389 11.566 -5.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.709 12.150 -6.506 1.00 0.00 H new ATOM 655 N ASN A 41 -8.235 6.975 -2.911 1.00 0.00 N ATOM 656 CA ASN A 41 -7.442 6.986 -1.693 1.00 0.00 C ATOM 657 C ASN A 41 -6.133 6.228 -1.847 1.00 0.00 C ATOM 658 O ASN A 41 -5.197 6.461 -1.073 1.00 0.00 O ATOM 659 CB ASN A 41 -8.352 6.458 -0.585 1.00 0.00 C ATOM 660 CG ASN A 41 -7.880 6.404 0.862 1.00 0.00 C ATOM 661 OD1 ASN A 41 -8.679 6.172 1.749 1.00 0.00 O ATOM 662 ND2 ASN A 41 -6.732 6.854 1.290 1.00 0.00 N ATOM 0 H ASN A 41 -9.027 6.333 -2.892 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.111 7.993 -1.440 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.259 7.063 -0.602 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.639 5.444 -0.865 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.574 6.980 2.290 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.992 7.079 0.625 1.00 0.00 H new ATOM 669 N ASP A 42 -6.028 5.366 -2.858 1.00 0.00 N ATOM 670 CA ASP A 42 -4.784 4.653 -3.116 1.00 0.00 C ATOM 671 C ASP A 42 -3.708 5.641 -3.558 1.00 0.00 C ATOM 672 O ASP A 42 -4.009 6.688 -4.143 1.00 0.00 O ATOM 673 CB ASP A 42 -4.962 3.550 -4.163 1.00 0.00 C ATOM 674 CG ASP A 42 -3.705 2.645 -4.244 1.00 0.00 C ATOM 675 OD1 ASP A 42 -3.173 2.236 -3.172 1.00 0.00 O ATOM 676 OD2 ASP A 42 -3.233 2.348 -5.370 1.00 0.00 O ATOM 0 H ASP A 42 -6.785 5.148 -3.506 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.476 4.169 -2.190 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.833 2.945 -3.913 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.154 3.998 -5.138 1.00 0.00 H new ATOM 681 N THR A 43 -2.446 5.336 -3.271 1.00 0.00 N ATOM 682 CA THR A 43 -1.347 6.219 -3.611 1.00 0.00 C ATOM 683 C THR A 43 -1.128 6.188 -5.125 1.00 0.00 C ATOM 684 O THR A 43 -0.986 5.125 -5.724 1.00 0.00 O ATOM 685 CB THR A 43 -0.087 5.810 -2.841 1.00 0.00 C ATOM 686 OG1 THR A 43 -0.393 5.506 -1.493 1.00 0.00 O ATOM 687 CG2 THR A 43 0.972 6.913 -2.810 1.00 0.00 C ATOM 0 H THR A 43 -2.163 4.476 -2.800 1.00 0.00 H new ATOM 0 HA THR A 43 -1.584 7.243 -3.322 1.00 0.00 H new ATOM 0 HB THR A 43 0.302 4.940 -3.370 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.414 4.534 -1.374 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.842 6.567 -2.251 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.270 7.160 -3.829 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.560 7.799 -2.328 1.00 0.00 H new ATOM 695 N VAL A 44 -1.016 7.354 -5.748 1.00 0.00 N ATOM 696 CA VAL A 44 -0.783 7.473 -7.174 1.00 0.00 C ATOM 697 C VAL A 44 0.461 8.329 -7.321 1.00 0.00 C ATOM 698 O VAL A 44 0.512 9.442 -6.806 1.00 0.00 O ATOM 699 CB VAL A 44 -2.013 8.075 -7.880 1.00 0.00 C ATOM 700 CG1 VAL A 44 -1.814 8.077 -9.403 1.00 0.00 C ATOM 701 CG2 VAL A 44 -3.309 7.317 -7.582 1.00 0.00 C ATOM 0 H VAL A 44 -1.086 8.251 -5.268 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.629 6.504 -7.649 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.106 9.089 -7.492 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.693 8.506 -9.884 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -0.936 8.672 -9.654 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.671 7.054 -9.753 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.137 7.791 -8.109 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.211 6.284 -7.915 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.503 7.336 -6.510 1.00 0.00 H new ATOM 711 N LYS A 45 1.476 7.836 -8.016 1.00 0.00 N ATOM 712 CA LYS A 45 2.701 8.559 -8.298 1.00 0.00 C ATOM 713 C LYS A 45 2.684 8.854 -9.777 1.00 0.00 C ATOM 714 O LYS A 45 2.625 7.932 -10.587 1.00 0.00 O ATOM 715 CB LYS A 45 3.907 7.711 -7.894 1.00 0.00 C ATOM 716 CG LYS A 45 4.067 7.780 -6.372 1.00 0.00 C ATOM 717 CD LYS A 45 5.204 6.911 -5.852 1.00 0.00 C ATOM 718 CE LYS A 45 5.260 7.062 -4.350 1.00 0.00 C ATOM 719 NZ LYS A 45 6.452 6.442 -3.753 1.00 0.00 N ATOM 0 H LYS A 45 1.467 6.895 -8.409 1.00 0.00 H new ATOM 0 HA LYS A 45 2.774 9.488 -7.733 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.767 6.678 -8.213 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.808 8.077 -8.386 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.244 8.814 -6.078 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.135 7.469 -5.900 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.041 5.868 -6.124 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.150 7.213 -6.301 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.243 8.122 -4.096 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.367 6.615 -3.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.820 7.054 -2.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.199 5.515 -3.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 7.182 6.318 -4.484 1.00 0.00 H new ATOM 733 N VAL A 46 2.739 10.118 -10.146 1.00 0.00 N ATOM 734 CA VAL A 46 2.793 10.536 -11.533 1.00 0.00 C ATOM 735 C VAL A 46 4.205 11.025 -11.807 1.00 0.00 C ATOM 736 O VAL A 46 4.839 11.628 -10.940 1.00 0.00 O ATOM 737 CB VAL A 46 1.718 11.602 -11.827 1.00 0.00 C ATOM 738 CG1 VAL A 46 0.313 10.996 -11.799 1.00 0.00 C ATOM 739 CG2 VAL A 46 1.694 12.772 -10.836 1.00 0.00 C ATOM 0 H VAL A 46 2.748 10.893 -9.483 1.00 0.00 H new ATOM 0 HA VAL A 46 2.570 9.706 -12.204 1.00 0.00 H new ATOM 0 HB VAL A 46 1.991 11.976 -12.814 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.422 11.772 -12.010 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.240 10.212 -12.553 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.120 10.571 -10.814 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.908 13.473 -11.119 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.499 12.395 -9.832 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.657 13.282 -10.851 1.00 0.00 H new ATOM 749 N TYR A 47 4.676 10.817 -13.032 1.00 0.00 N ATOM 750 CA TYR A 47 5.940 11.335 -13.536 1.00 0.00 C ATOM 751 C TYR A 47 5.798 11.540 -15.045 1.00 0.00 C ATOM 752 O TYR A 47 4.874 11.033 -15.688 1.00 0.00 O ATOM 753 CB TYR A 47 7.113 10.401 -13.220 1.00 0.00 C ATOM 754 CG TYR A 47 7.135 9.152 -14.053 1.00 0.00 C ATOM 755 CD1 TYR A 47 6.045 8.302 -13.908 1.00 0.00 C ATOM 756 CD2 TYR A 47 8.132 8.863 -15.005 1.00 0.00 C ATOM 757 CE1 TYR A 47 5.887 7.214 -14.709 1.00 0.00 C ATOM 758 CE2 TYR A 47 7.984 7.734 -15.836 1.00 0.00 C ATOM 759 CZ TYR A 47 6.843 6.918 -15.657 1.00 0.00 C ATOM 760 OH TYR A 47 6.442 5.856 -16.346 1.00 0.00 O ATOM 0 H TYR A 47 4.170 10.264 -13.724 1.00 0.00 H new ATOM 0 HA TYR A 47 6.162 12.281 -13.042 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.047 10.943 -13.370 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.071 10.123 -12.167 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.309 8.509 -13.145 1.00 0.00 H new ATOM 0 HD2 TYR A 47 9.000 9.499 -15.097 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.016 6.584 -14.603 1.00 0.00 H new ATOM 0 HE2 TYR A 47 8.722 7.499 -16.589 1.00 0.00 H new ATOM 0 HH TYR A 47 7.026 5.731 -17.123 1.00 0.00 H new ATOM 770 N CYS A 48 6.723 12.308 -15.611 1.00 0.00 N ATOM 771 CA CYS A 48 6.817 12.528 -17.043 1.00 0.00 C ATOM 772 C CYS A 48 8.260 12.879 -17.377 1.00 0.00 C ATOM 773 O CYS A 48 9.094 12.964 -16.482 1.00 0.00 O ATOM 774 CB CYS A 48 5.863 13.655 -17.438 1.00 0.00 C ATOM 775 SG CYS A 48 6.418 15.253 -16.840 1.00 0.00 S ATOM 0 H CYS A 48 7.438 12.801 -15.076 1.00 0.00 H new ATOM 0 HA CYS A 48 6.533 11.635 -17.599 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.771 13.687 -18.524 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.870 13.445 -17.040 1.00 0.00 H new ATOM 0 HG CYS A 48 6.609 16.051 -17.848 1.00 0.00 H new ATOM 781 N ASN A 49 8.550 13.193 -18.634 1.00 0.00 N ATOM 782 CA ASN A 49 9.923 13.398 -19.065 1.00 0.00 C ATOM 783 C ASN A 49 10.621 14.539 -18.312 1.00 0.00 C ATOM 784 O ASN A 49 11.827 14.496 -18.085 1.00 0.00 O ATOM 785 CB ASN A 49 10.004 13.621 -20.582 1.00 0.00 C ATOM 786 CG ASN A 49 11.486 13.562 -20.982 1.00 0.00 C ATOM 787 OD1 ASN A 49 12.305 12.950 -20.315 1.00 0.00 O ATOM 788 ND2 ASN A 49 11.942 14.116 -22.086 1.00 0.00 N ATOM 0 H ASN A 49 7.853 13.310 -19.369 1.00 0.00 H new ATOM 0 HA ASN A 49 10.459 12.481 -18.819 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.434 12.858 -21.112 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.573 14.585 -20.851 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.926 14.019 -22.337 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.311 14.642 -22.691 1.00 0.00 H new ATOM 795 N ALA A 50 9.873 15.558 -17.885 1.00 0.00 N ATOM 796 CA ALA A 50 10.470 16.793 -17.382 1.00 0.00 C ATOM 797 C ALA A 50 9.970 17.177 -15.993 1.00 0.00 C ATOM 798 O ALA A 50 10.320 18.238 -15.490 1.00 0.00 O ATOM 799 CB ALA A 50 10.196 17.909 -18.386 1.00 0.00 C ATOM 0 H ALA A 50 8.853 15.551 -17.878 1.00 0.00 H new ATOM 0 HA ALA A 50 11.543 16.632 -17.275 1.00 0.00 H new ATOM 0 HB1 ALA A 50 10.635 18.839 -18.025 1.00 0.00 H new ATOM 0 HB2 ALA A 50 10.637 17.649 -19.348 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.120 18.037 -18.502 1.00 0.00 H new ATOM 805 N GLY A 51 9.093 16.380 -15.384 1.00 0.00 N ATOM 806 CA GLY A 51 8.612 16.603 -14.023 1.00 0.00 C ATOM 807 C GLY A 51 7.487 17.616 -13.942 1.00 0.00 C ATOM 808 O GLY A 51 6.629 17.581 -13.069 1.00 0.00 O ATOM 0 H GLY A 51 8.693 15.553 -15.827 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.269 15.656 -13.607 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.442 16.942 -13.403 1.00 0.00 H new ATOM 812 N ARG A 52 7.437 18.524 -14.887 1.00 0.00 N ATOM 813 CA ARG A 52 6.480 19.581 -14.917 1.00 0.00 C ATOM 814 C ARG A 52 5.075 19.074 -15.212 1.00 0.00 C ATOM 815 O ARG A 52 4.130 19.472 -14.543 1.00 0.00 O ATOM 816 CB ARG A 52 7.138 20.439 -15.985 1.00 0.00 C ATOM 817 CG ARG A 52 6.195 21.372 -16.662 1.00 0.00 C ATOM 818 CD ARG A 52 6.505 22.641 -15.929 1.00 0.00 C ATOM 819 NE ARG A 52 5.403 23.395 -16.314 1.00 0.00 N ATOM 820 CZ ARG A 52 4.385 23.637 -15.537 1.00 0.00 C ATOM 821 NH1 ARG A 52 4.384 23.383 -14.217 1.00 0.00 N ATOM 822 NH2 ARG A 52 3.436 24.125 -16.293 1.00 0.00 N ATOM 0 H ARG A 52 8.084 18.540 -15.675 1.00 0.00 H new ATOM 0 HA ARG A 52 6.288 20.121 -13.990 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.944 21.016 -15.531 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.593 19.789 -16.733 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.386 21.453 -17.732 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.155 21.068 -16.546 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.561 22.500 -14.850 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.449 23.087 -16.242 1.00 0.00 H new ATOM 0 HE ARG A 52 5.390 23.781 -17.258 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.210 22.980 -13.775 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.557 23.593 -13.658 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.592 24.244 -17.294 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.540 24.386 -15.882 1.00 0.00 H new ATOM 836 N GLN A 53 4.939 18.240 -16.237 1.00 0.00 N ATOM 837 CA GLN A 53 3.632 17.792 -16.710 1.00 0.00 C ATOM 838 C GLN A 53 3.019 16.821 -15.717 1.00 0.00 C ATOM 839 O GLN A 53 1.804 16.809 -15.572 1.00 0.00 O ATOM 840 CB GLN A 53 3.717 17.212 -18.130 1.00 0.00 C ATOM 841 CG GLN A 53 4.341 18.303 -18.997 1.00 0.00 C ATOM 842 CD GLN A 53 4.422 17.916 -20.459 1.00 0.00 C ATOM 843 OE1 GLN A 53 5.474 17.507 -20.959 1.00 0.00 O ATOM 844 NE2 GLN A 53 3.331 18.036 -21.193 1.00 0.00 N ATOM 0 H GLN A 53 5.726 17.857 -16.761 1.00 0.00 H new ATOM 0 HA GLN A 53 2.969 18.654 -16.775 1.00 0.00 H new ATOM 0 HB2 GLN A 53 4.324 16.307 -18.146 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.728 16.939 -18.499 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.756 19.217 -18.900 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.343 18.525 -18.629 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.467 18.375 -20.770 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.352 17.790 -22.183 1.00 0.00 H new ATOM 853 N SER A 54 3.837 16.067 -14.986 1.00 0.00 N ATOM 854 CA SER A 54 3.361 15.316 -13.842 1.00 0.00 C ATOM 855 C SER A 54 2.925 16.236 -12.700 1.00 0.00 C ATOM 856 O SER A 54 1.931 15.958 -12.035 1.00 0.00 O ATOM 857 CB SER A 54 4.430 14.312 -13.421 1.00 0.00 C ATOM 858 OG SER A 54 5.740 14.776 -13.704 1.00 0.00 O ATOM 0 H SER A 54 4.835 15.964 -15.172 1.00 0.00 H new ATOM 0 HA SER A 54 2.466 14.761 -14.122 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.339 14.113 -12.353 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.262 13.367 -13.937 1.00 0.00 H new ATOM 0 HG SER A 54 5.894 14.750 -14.671 1.00 0.00 H new ATOM 864 N GLY A 55 3.609 17.366 -12.503 1.00 0.00 N ATOM 865 CA GLY A 55 3.133 18.414 -11.615 1.00 0.00 C ATOM 866 C GLY A 55 1.721 18.853 -12.005 1.00 0.00 C ATOM 867 O GLY A 55 0.847 18.879 -11.142 1.00 0.00 O ATOM 0 H GLY A 55 4.500 17.573 -12.953 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.136 18.055 -10.586 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.809 19.268 -11.657 1.00 0.00 H new ATOM 871 N GLN A 56 1.478 19.103 -13.298 1.00 0.00 N ATOM 872 CA GLN A 56 0.155 19.503 -13.780 1.00 0.00 C ATOM 873 C GLN A 56 -0.857 18.393 -13.548 1.00 0.00 C ATOM 874 O GLN A 56 -1.956 18.654 -13.067 1.00 0.00 O ATOM 875 CB GLN A 56 0.188 19.866 -15.275 1.00 0.00 C ATOM 876 CG GLN A 56 1.181 21.014 -15.468 1.00 0.00 C ATOM 877 CD GLN A 56 1.238 21.653 -16.854 1.00 0.00 C ATOM 878 OE1 GLN A 56 2.269 21.550 -17.509 1.00 0.00 O ATOM 879 NE2 GLN A 56 0.247 22.369 -17.364 1.00 0.00 N ATOM 0 H GLN A 56 2.185 19.034 -14.030 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.144 20.387 -13.216 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.486 19.002 -15.869 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -0.804 20.161 -15.616 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.943 21.794 -14.745 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.177 20.646 -15.223 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.625 22.475 -16.845 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.356 22.814 -18.275 1.00 0.00 H new ATOM 888 N ALA A 57 -0.500 17.153 -13.883 1.00 0.00 N ATOM 889 CA ALA A 57 -1.391 16.031 -13.657 1.00 0.00 C ATOM 890 C ALA A 57 -1.730 15.918 -12.173 1.00 0.00 C ATOM 891 O ALA A 57 -2.869 15.620 -11.839 1.00 0.00 O ATOM 892 CB ALA A 57 -0.759 14.738 -14.168 1.00 0.00 C ATOM 0 H ALA A 57 0.394 16.908 -14.308 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.315 16.200 -14.210 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.440 13.905 -13.991 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.564 14.826 -15.237 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.178 14.558 -13.641 1.00 0.00 H new ATOM 898 N LYS A 58 -0.775 16.176 -11.278 1.00 0.00 N ATOM 899 CA LYS A 58 -1.029 16.109 -9.853 1.00 0.00 C ATOM 900 C LYS A 58 -2.098 17.129 -9.487 1.00 0.00 C ATOM 901 O LYS A 58 -2.962 16.803 -8.687 1.00 0.00 O ATOM 902 CB LYS A 58 0.296 16.268 -9.085 1.00 0.00 C ATOM 903 CG LYS A 58 0.162 15.878 -7.609 1.00 0.00 C ATOM 904 CD LYS A 58 -0.128 17.107 -6.740 1.00 0.00 C ATOM 905 CE LYS A 58 -0.757 16.677 -5.416 1.00 0.00 C ATOM 906 NZ LYS A 58 -1.252 17.839 -4.645 1.00 0.00 N ATOM 0 H LYS A 58 0.181 16.433 -11.524 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.425 15.136 -9.563 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.062 15.650 -9.554 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.633 17.302 -9.156 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.640 15.149 -7.493 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.080 15.398 -7.271 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.795 17.655 -6.552 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.799 17.785 -7.267 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.581 15.991 -5.610 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.022 16.133 -4.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.195 17.630 -3.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.669 18.673 -4.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.240 18.032 -4.904 1.00 0.00 H new ATOM 920 N GLU A 59 -2.058 18.331 -10.041 1.00 0.00 N ATOM 921 CA GLU A 59 -3.061 19.357 -9.773 1.00 0.00 C ATOM 922 C GLU A 59 -4.423 18.948 -10.306 1.00 0.00 C ATOM 923 O GLU A 59 -5.408 19.068 -9.582 1.00 0.00 O ATOM 924 CB GLU A 59 -2.614 20.683 -10.378 1.00 0.00 C ATOM 925 CG GLU A 59 -1.262 21.051 -9.759 1.00 0.00 C ATOM 926 CD GLU A 59 -1.276 22.441 -9.172 1.00 0.00 C ATOM 927 OE1 GLU A 59 -1.071 23.393 -9.955 1.00 0.00 O ATOM 928 OE2 GLU A 59 -1.440 22.494 -7.932 1.00 0.00 O ATOM 0 H GLU A 59 -1.329 18.626 -10.691 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.158 19.476 -8.694 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.527 20.598 -11.461 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.350 21.461 -10.177 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.010 20.330 -8.981 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.484 20.985 -10.519 1.00 0.00 H new ATOM 935 N ILE A 60 -4.463 18.371 -11.512 1.00 0.00 N ATOM 936 CA ILE A 60 -5.699 17.856 -12.088 1.00 0.00 C ATOM 937 C ILE A 60 -6.301 16.825 -11.144 1.00 0.00 C ATOM 938 O ILE A 60 -7.496 16.868 -10.866 1.00 0.00 O ATOM 939 CB ILE A 60 -5.440 17.243 -13.483 1.00 0.00 C ATOM 940 CG1 ILE A 60 -5.084 18.352 -14.495 1.00 0.00 C ATOM 941 CG2 ILE A 60 -6.670 16.461 -13.977 1.00 0.00 C ATOM 942 CD1 ILE A 60 -4.679 17.804 -15.865 1.00 0.00 C ATOM 0 H ILE A 60 -3.644 18.251 -12.108 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.405 18.677 -12.216 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.602 16.551 -13.398 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.940 19.016 -14.614 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.268 18.953 -14.095 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.462 16.040 -14.961 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.894 15.656 -13.277 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.526 17.133 -14.044 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.441 18.632 -16.532 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.805 17.162 -15.756 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.503 17.226 -16.284 1.00 0.00 H new ATOM 954 N LEU A 61 -5.481 15.880 -10.686 1.00 0.00 N ATOM 955 CA LEU A 61 -5.960 14.839 -9.813 1.00 0.00 C ATOM 956 C LEU A 61 -6.396 15.527 -8.527 1.00 0.00 C ATOM 957 O LEU A 61 -7.541 15.367 -8.149 1.00 0.00 O ATOM 958 CB LEU A 61 -4.926 13.697 -9.696 1.00 0.00 C ATOM 959 CG LEU A 61 -4.671 12.934 -11.020 1.00 0.00 C ATOM 960 CD1 LEU A 61 -3.779 11.704 -10.793 1.00 0.00 C ATOM 961 CD2 LEU A 61 -5.954 12.474 -11.714 1.00 0.00 C ATOM 0 H LEU A 61 -4.488 15.824 -10.911 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.832 14.308 -10.196 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.982 14.111 -9.341 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.267 12.989 -8.941 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.171 13.654 -11.668 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.619 11.191 -11.741 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.819 12.021 -10.386 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.265 11.027 -10.091 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.701 11.947 -12.634 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.506 11.806 -11.053 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.571 13.341 -11.950 1.00 0.00 H new ATOM 973 N SER A 62 -5.625 16.418 -7.915 1.00 0.00 N ATOM 974 CA SER A 62 -6.071 17.062 -6.683 1.00 0.00 C ATOM 975 C SER A 62 -7.453 17.702 -6.831 1.00 0.00 C ATOM 976 O SER A 62 -8.261 17.587 -5.914 1.00 0.00 O ATOM 977 CB SER A 62 -5.064 18.109 -6.258 1.00 0.00 C ATOM 978 OG SER A 62 -3.798 17.549 -5.993 1.00 0.00 O ATOM 0 H SER A 62 -4.704 16.708 -8.243 1.00 0.00 H new ATOM 0 HA SER A 62 -6.149 16.288 -5.920 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.971 18.861 -7.042 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.428 18.621 -5.367 1.00 0.00 H new ATOM 0 HG SER A 62 -3.392 17.246 -6.832 1.00 0.00 H new ATOM 984 N GLU A 63 -7.757 18.268 -7.996 1.00 0.00 N ATOM 985 CA GLU A 63 -9.069 18.795 -8.296 1.00 0.00 C ATOM 986 C GLU A 63 -10.161 17.715 -8.382 1.00 0.00 C ATOM 987 O GLU A 63 -11.287 17.894 -7.919 1.00 0.00 O ATOM 988 CB GLU A 63 -8.949 19.571 -9.610 1.00 0.00 C ATOM 989 CG GLU A 63 -10.123 20.547 -9.623 1.00 0.00 C ATOM 990 CD GLU A 63 -9.927 21.825 -10.431 1.00 0.00 C ATOM 991 OE1 GLU A 63 -8.771 22.261 -10.618 1.00 0.00 O ATOM 992 OE2 GLU A 63 -10.970 22.363 -10.862 1.00 0.00 O ATOM 0 H GLU A 63 -7.088 18.371 -8.759 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.388 19.442 -7.479 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.998 20.101 -9.666 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.990 18.898 -10.467 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.997 20.026 -10.013 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.350 20.824 -8.593 1.00 0.00 H new ATOM 999 N MET A 64 -9.821 16.557 -8.939 1.00 0.00 N ATOM 1000 CA MET A 64 -10.651 15.352 -8.944 1.00 0.00 C ATOM 1001 C MET A 64 -10.829 14.719 -7.544 1.00 0.00 C ATOM 1002 O MET A 64 -11.594 13.752 -7.382 1.00 0.00 O ATOM 1003 CB MET A 64 -10.026 14.313 -9.880 1.00 0.00 C ATOM 1004 CG MET A 64 -9.957 14.732 -11.343 1.00 0.00 C ATOM 1005 SD MET A 64 -11.477 14.515 -12.304 1.00 0.00 S ATOM 1006 CE MET A 64 -11.928 12.768 -12.047 1.00 0.00 C ATOM 0 H MET A 64 -8.929 16.425 -9.417 1.00 0.00 H new ATOM 0 HA MET A 64 -11.640 15.656 -9.286 1.00 0.00 H new ATOM 0 HB2 MET A 64 -9.017 14.091 -9.532 1.00 0.00 H new ATOM 0 HB3 MET A 64 -10.599 13.388 -9.808 1.00 0.00 H new ATOM 0 HG2 MET A 64 -9.670 15.783 -11.386 1.00 0.00 H new ATOM 0 HG3 MET A 64 -9.161 14.164 -11.826 1.00 0.00 H new ATOM 0 HE1 MET A 64 -12.617 12.451 -12.830 1.00 0.00 H new ATOM 0 HE2 MET A 64 -11.030 12.151 -12.082 1.00 0.00 H new ATOM 0 HE3 MET A 64 -12.408 12.655 -11.075 1.00 0.00 H new ATOM 1016 N GLY A 65 -10.133 15.217 -6.519 1.00 0.00 N ATOM 1017 CA GLY A 65 -10.419 14.868 -5.128 1.00 0.00 C ATOM 1018 C GLY A 65 -9.629 13.676 -4.619 1.00 0.00 C ATOM 1019 O GLY A 65 -10.101 12.892 -3.797 1.00 0.00 O ATOM 0 H GLY A 65 -9.358 15.871 -6.631 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.205 15.730 -4.496 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.483 14.656 -5.028 1.00 0.00 H new ATOM 1023 N TYR A 66 -8.454 13.489 -5.178 1.00 0.00 N ATOM 1024 CA TYR A 66 -7.504 12.496 -4.733 1.00 0.00 C ATOM 1025 C TYR A 66 -6.981 12.857 -3.409 1.00 0.00 C ATOM 1026 O TYR A 66 -6.664 14.021 -3.158 1.00 0.00 O ATOM 1027 CB TYR A 66 -6.193 12.487 -5.483 1.00 0.00 C ATOM 1028 CG TYR A 66 -6.381 11.805 -6.746 1.00 0.00 C ATOM 1029 CD1 TYR A 66 -6.229 10.429 -6.800 1.00 0.00 C ATOM 1030 CD2 TYR A 66 -7.276 12.495 -7.511 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -7.142 9.753 -7.605 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -8.352 11.848 -8.037 1.00 0.00 C ATOM 1033 CZ TYR A 66 -8.244 10.471 -8.163 1.00 0.00 C ATOM 1034 OH TYR A 66 -9.255 9.869 -8.802 1.00 0.00 O ATOM 0 H TYR A 66 -8.126 14.037 -5.973 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.070 11.569 -4.830 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -5.849 13.507 -5.653 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -5.425 11.985 -4.894 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.453 9.914 -6.253 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.131 13.549 -7.698 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -7.019 8.699 -7.805 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -9.242 12.379 -8.340 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.900 10.543 -9.102 1.00 0.00 H new ATOM 1044 N THR A 67 -6.624 11.805 -2.710 1.00 0.00 N ATOM 1045 CA THR A 67 -6.060 12.025 -1.423 1.00 0.00 C ATOM 1046 C THR A 67 -4.570 11.758 -1.357 1.00 0.00 C ATOM 1047 O THR A 67 -3.927 12.367 -0.507 1.00 0.00 O ATOM 1048 CB THR A 67 -6.867 11.228 -0.421 1.00 0.00 C ATOM 1049 OG1 THR A 67 -7.455 10.090 -0.976 1.00 0.00 O ATOM 1050 CG2 THR A 67 -8.096 11.993 0.028 1.00 0.00 C ATOM 0 H THR A 67 -6.713 10.832 -3.004 1.00 0.00 H new ATOM 0 HA THR A 67 -6.126 13.085 -1.177 1.00 0.00 H new ATOM 0 HB THR A 67 -6.147 11.005 0.366 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.825 9.531 -0.261 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.655 11.394 0.747 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.791 12.930 0.495 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.727 12.206 -0.835 1.00 0.00 H new ATOM 1058 N HIS A 68 -4.006 10.923 -2.236 1.00 0.00 N ATOM 1059 CA HIS A 68 -2.618 10.487 -2.103 1.00 0.00 C ATOM 1060 C HIS A 68 -1.915 10.463 -3.435 1.00 0.00 C ATOM 1061 O HIS A 68 -1.277 9.492 -3.836 1.00 0.00 O ATOM 1062 CB HIS A 68 -2.550 9.118 -1.458 1.00 0.00 C ATOM 1063 CG HIS A 68 -2.775 9.149 0.000 1.00 0.00 C ATOM 1064 ND1 HIS A 68 -3.477 8.178 0.636 1.00 0.00 N ATOM 1065 CD2 HIS A 68 -2.265 10.016 0.931 1.00 0.00 C ATOM 1066 CE1 HIS A 68 -3.395 8.434 1.946 1.00 0.00 C ATOM 1067 NE2 HIS A 68 -2.676 9.549 2.186 1.00 0.00 N ATOM 0 H HIS A 68 -4.492 10.537 -3.046 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.109 11.209 -1.465 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.294 8.469 -1.920 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.574 8.677 -1.659 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -3.973 7.401 0.199 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.662 10.891 0.735 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.847 7.825 2.714 1.00 0.00 H new ATOM 1075 N VAL A 69 -2.075 11.533 -4.176 1.00 0.00 N ATOM 1076 CA VAL A 69 -1.324 11.696 -5.404 1.00 0.00 C ATOM 1077 C VAL A 69 -0.051 12.412 -5.061 1.00 0.00 C ATOM 1078 O VAL A 69 -0.055 13.336 -4.242 1.00 0.00 O ATOM 1079 CB VAL A 69 -2.062 12.533 -6.435 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -1.645 12.293 -7.867 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -3.490 12.159 -6.428 1.00 0.00 C ATOM 0 H VAL A 69 -2.711 12.299 -3.956 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.156 10.708 -5.833 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.842 13.562 -6.152 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.227 12.935 -8.528 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.585 12.521 -7.980 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.822 11.249 -8.127 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.026 12.756 -7.166 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.590 11.102 -6.674 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.909 12.343 -5.439 1.00 0.00 H new ATOM 1091 N GLU A 70 0.983 12.098 -5.810 1.00 0.00 N ATOM 1092 CA GLU A 70 2.264 12.707 -5.649 1.00 0.00 C ATOM 1093 C GLU A 70 2.932 12.799 -7.010 1.00 0.00 C ATOM 1094 O GLU A 70 2.915 11.850 -7.799 1.00 0.00 O ATOM 1095 CB GLU A 70 3.068 11.858 -4.675 1.00 0.00 C ATOM 1096 CG GLU A 70 4.445 12.509 -4.548 1.00 0.00 C ATOM 1097 CD GLU A 70 5.016 12.376 -3.148 1.00 0.00 C ATOM 1098 OE1 GLU A 70 5.135 11.209 -2.704 1.00 0.00 O ATOM 1099 OE2 GLU A 70 5.305 13.441 -2.559 1.00 0.00 O ATOM 0 H GLU A 70 0.946 11.402 -6.555 1.00 0.00 H new ATOM 0 HA GLU A 70 2.187 13.717 -5.246 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.573 11.810 -3.705 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.157 10.834 -5.038 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.129 12.051 -5.262 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.371 13.565 -4.810 1.00 0.00 H new ATOM 1106 N ASN A 71 3.507 13.963 -7.298 1.00 0.00 N ATOM 1107 CA ASN A 71 4.459 14.051 -8.382 1.00 0.00 C ATOM 1108 C ASN A 71 5.803 13.493 -7.906 1.00 0.00 C ATOM 1109 O ASN A 71 6.481 14.133 -7.109 1.00 0.00 O ATOM 1110 CB ASN A 71 4.620 15.486 -8.895 1.00 0.00 C ATOM 1111 CG ASN A 71 5.687 15.463 -10.000 1.00 0.00 C ATOM 1112 OD1 ASN A 71 6.111 14.423 -10.472 1.00 0.00 O ATOM 1113 ND2 ASN A 71 6.141 16.557 -10.547 1.00 0.00 N ATOM 0 H ASN A 71 3.331 14.837 -6.803 1.00 0.00 H new ATOM 0 HA ASN A 71 4.085 13.462 -9.219 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.674 15.863 -9.283 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.920 16.151 -8.086 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.807 16.503 -11.318 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.830 17.466 -10.204 1.00 0.00 H new ATOM 1120 N ALA A 72 6.192 12.337 -8.444 1.00 0.00 N ATOM 1121 CA ALA A 72 7.475 11.716 -8.152 1.00 0.00 C ATOM 1122 C ALA A 72 8.675 12.530 -8.651 1.00 0.00 C ATOM 1123 O ALA A 72 9.746 12.437 -8.065 1.00 0.00 O ATOM 1124 CB ALA A 72 7.491 10.324 -8.787 1.00 0.00 C ATOM 0 H ALA A 72 5.619 11.805 -9.099 1.00 0.00 H new ATOM 0 HA ALA A 72 7.577 11.661 -7.068 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.446 9.840 -8.580 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.682 9.724 -8.369 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.357 10.414 -9.865 1.00 0.00 H new ATOM 1130 N GLY A 73 8.519 13.259 -9.754 1.00 0.00 N ATOM 1131 CA GLY A 73 9.554 14.060 -10.370 1.00 0.00 C ATOM 1132 C GLY A 73 9.476 13.832 -11.870 1.00 0.00 C ATOM 1133 O GLY A 73 8.394 13.621 -12.441 1.00 0.00 O ATOM 0 H GLY A 73 7.632 13.304 -10.256 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.413 15.115 -10.135 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.535 13.777 -9.990 1.00 0.00 H new ATOM 1137 N GLY A 74 10.630 13.887 -12.531 1.00 0.00 N ATOM 1138 CA GLY A 74 10.725 13.537 -13.937 1.00 0.00 C ATOM 1139 C GLY A 74 11.277 12.132 -14.099 1.00 0.00 C ATOM 1140 O GLY A 74 11.865 11.600 -13.172 1.00 0.00 O ATOM 0 H GLY A 74 11.513 14.173 -12.109 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.741 13.603 -14.402 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.370 14.249 -14.452 1.00 0.00 H new ATOM 1144 N LEU A 75 11.160 11.539 -15.288 1.00 0.00 N ATOM 1145 CA LEU A 75 11.619 10.176 -15.597 1.00 0.00 C ATOM 1146 C LEU A 75 13.063 9.922 -15.161 1.00 0.00 C ATOM 1147 O LEU A 75 13.457 8.828 -14.746 1.00 0.00 O ATOM 1148 CB LEU A 75 11.438 9.971 -17.112 1.00 0.00 C ATOM 1149 CG LEU A 75 12.053 8.661 -17.645 1.00 0.00 C ATOM 1150 CD1 LEU A 75 11.519 7.401 -16.981 1.00 0.00 C ATOM 1151 CD2 LEU A 75 11.720 8.468 -19.115 1.00 0.00 C ATOM 0 H LEU A 75 10.731 12.004 -16.088 1.00 0.00 H new ATOM 0 HA LEU A 75 11.027 9.454 -15.034 1.00 0.00 H new ATOM 0 HB2 LEU A 75 10.373 9.982 -17.345 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.888 10.812 -17.639 1.00 0.00 H new ATOM 0 HG LEU A 75 13.117 8.777 -17.441 1.00 0.00 H new ATOM 0 HD11 LEU A 75 12.005 6.527 -17.415 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.727 7.437 -15.912 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.443 7.334 -17.140 1.00 0.00 H new ATOM 0 HD21 LEU A 75 12.164 7.538 -19.470 1.00 0.00 H new ATOM 0 HD22 LEU A 75 10.638 8.425 -19.240 1.00 0.00 H new ATOM 0 HD23 LEU A 75 12.119 9.303 -19.691 1.00 0.00 H new ATOM 1163 N LYS A 76 13.849 10.981 -15.236 1.00 0.00 N ATOM 1164 CA LYS A 76 15.235 10.945 -14.822 1.00 0.00 C ATOM 1165 C LYS A 76 15.458 10.804 -13.364 1.00 0.00 C ATOM 1166 O LYS A 76 16.549 10.401 -12.989 1.00 0.00 O ATOM 1167 CB LYS A 76 15.869 12.278 -15.062 1.00 0.00 C ATOM 1168 CG LYS A 76 15.778 12.386 -16.523 1.00 0.00 C ATOM 1169 CD LYS A 76 16.497 13.672 -16.742 1.00 0.00 C ATOM 1170 CE LYS A 76 16.810 13.256 -18.127 1.00 0.00 C ATOM 1171 NZ LYS A 76 17.119 14.433 -18.836 1.00 0.00 N ATOM 0 H LYS A 76 13.542 11.889 -15.586 1.00 0.00 H new ATOM 0 HA LYS A 76 15.632 10.096 -15.378 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.335 13.083 -14.557 1.00 0.00 H new ATOM 0 HB3 LYS A 76 16.901 12.311 -14.712 1.00 0.00 H new ATOM 0 HG2 LYS A 76 16.258 11.550 -17.032 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.746 12.422 -16.873 1.00 0.00 H new ATOM 0 HD2 LYS A 76 15.877 14.565 -16.660 1.00 0.00 H new ATOM 0 HD3 LYS A 76 17.365 13.827 -16.102 1.00 0.00 H new ATOM 0 HE2 LYS A 76 17.650 12.561 -18.143 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.962 12.742 -18.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 17.348 14.194 -19.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.301 15.075 -18.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.936 14.900 -18.394 1.00 0.00 H new ATOM 1185 N ASP A 77 14.509 11.295 -12.601 1.00 0.00 N ATOM 1186 CA ASP A 77 14.659 11.386 -11.174 1.00 0.00 C ATOM 1187 C ASP A 77 14.223 10.054 -10.580 1.00 0.00 C ATOM 1188 O ASP A 77 14.910 9.488 -9.736 1.00 0.00 O ATOM 1189 CB ASP A 77 13.846 12.574 -10.654 1.00 0.00 C ATOM 1190 CG ASP A 77 13.996 12.790 -9.140 1.00 0.00 C ATOM 1191 OD1 ASP A 77 14.664 11.984 -8.461 1.00 0.00 O ATOM 1192 OD2 ASP A 77 13.474 13.834 -8.694 1.00 0.00 O ATOM 0 H ASP A 77 13.616 11.640 -12.954 1.00 0.00 H new ATOM 0 HA ASP A 77 15.693 11.568 -10.880 1.00 0.00 H new ATOM 0 HB2 ASP A 77 14.159 13.478 -11.177 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.793 12.418 -10.890 1.00 0.00 H new ATOM 1197 N ILE A 78 13.144 9.454 -11.102 1.00 0.00 N ATOM 1198 CA ILE A 78 12.684 8.191 -10.553 1.00 0.00 C ATOM 1199 C ILE A 78 13.789 7.155 -10.712 1.00 0.00 C ATOM 1200 O ILE A 78 14.237 6.858 -11.827 1.00 0.00 O ATOM 1201 CB ILE A 78 11.360 7.730 -11.177 1.00 0.00 C ATOM 1202 CG1 ILE A 78 10.217 8.627 -10.677 1.00 0.00 C ATOM 1203 CG2 ILE A 78 10.951 6.336 -10.703 1.00 0.00 C ATOM 1204 CD1 ILE A 78 9.770 9.578 -11.735 1.00 0.00 C ATOM 0 H ILE A 78 12.594 9.817 -11.880 1.00 0.00 H new ATOM 0 HA ILE A 78 12.470 8.323 -9.492 1.00 0.00 H new ATOM 0 HB ILE A 78 11.514 7.759 -12.256 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.377 8.008 -10.364 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.547 9.184 -9.800 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.008 6.054 -11.172 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.723 5.617 -10.979 1.00 0.00 H new ATOM 0 HG23 ILE A 78 10.830 6.341 -9.620 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.961 10.198 -11.349 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.605 10.214 -12.029 1.00 0.00 H new ATOM 0 HD13 ILE A 78 9.417 9.019 -12.601 1.00 0.00 H new ATOM 1216 N ALA A 79 14.139 6.530 -9.591 1.00 0.00 N ATOM 1217 CA ALA A 79 15.242 5.595 -9.489 1.00 0.00 C ATOM 1218 C ALA A 79 14.716 4.170 -9.360 1.00 0.00 C ATOM 1219 O ALA A 79 15.278 3.338 -8.656 1.00 0.00 O ATOM 1220 CB ALA A 79 16.141 6.014 -8.330 1.00 0.00 C ATOM 0 H ALA A 79 13.647 6.668 -8.708 1.00 0.00 H new ATOM 0 HA ALA A 79 15.847 5.613 -10.395 1.00 0.00 H new ATOM 0 HB1 ALA A 79 16.974 5.316 -8.245 1.00 0.00 H new ATOM 0 HB2 ALA A 79 16.525 7.018 -8.512 1.00 0.00 H new ATOM 0 HB3 ALA A 79 15.567 6.008 -7.404 1.00 0.00 H new ATOM 1226 N MET A 80 13.596 3.897 -10.022 1.00 0.00 N ATOM 1227 CA MET A 80 13.062 2.552 -10.175 1.00 0.00 C ATOM 1228 C MET A 80 13.605 1.931 -11.453 1.00 0.00 C ATOM 1229 O MET A 80 14.028 2.674 -12.349 1.00 0.00 O ATOM 1230 CB MET A 80 11.538 2.622 -10.257 1.00 0.00 C ATOM 1231 CG MET A 80 11.061 3.235 -8.936 1.00 0.00 C ATOM 1232 SD MET A 80 9.763 2.524 -7.928 1.00 0.00 S ATOM 1233 CE MET A 80 9.271 1.004 -8.795 1.00 0.00 C ATOM 0 H MET A 80 13.028 4.614 -10.472 1.00 0.00 H new ATOM 0 HA MET A 80 13.358 1.943 -9.321 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.222 3.231 -11.104 1.00 0.00 H new ATOM 0 HB3 MET A 80 11.111 1.630 -10.401 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.941 3.308 -8.297 1.00 0.00 H new ATOM 0 HG3 MET A 80 10.748 4.254 -9.166 1.00 0.00 H new ATOM 0 HE1 MET A 80 8.440 0.536 -8.267 1.00 0.00 H new ATOM 0 HE2 MET A 80 8.963 1.248 -9.812 1.00 0.00 H new ATOM 0 HE3 MET A 80 10.114 0.314 -8.827 1.00 0.00 H new ATOM 1243 N PRO A 81 13.539 0.591 -11.573 1.00 0.00 N ATOM 1244 CA PRO A 81 13.753 -0.091 -12.836 1.00 0.00 C ATOM 1245 C PRO A 81 12.889 0.502 -13.946 1.00 0.00 C ATOM 1246 O PRO A 81 11.779 0.998 -13.713 1.00 0.00 O ATOM 1247 CB PRO A 81 13.425 -1.569 -12.598 1.00 0.00 C ATOM 1248 CG PRO A 81 13.567 -1.741 -11.088 1.00 0.00 C ATOM 1249 CD PRO A 81 13.181 -0.371 -10.536 1.00 0.00 C ATOM 0 HA PRO A 81 14.785 0.027 -13.168 1.00 0.00 H new ATOM 0 HB2 PRO A 81 12.417 -1.813 -12.934 1.00 0.00 H new ATOM 0 HB3 PRO A 81 14.109 -2.222 -13.140 1.00 0.00 H new ATOM 0 HG2 PRO A 81 12.911 -2.525 -10.710 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.585 -2.014 -10.809 1.00 0.00 H new ATOM 0 HD2 PRO A 81 12.115 -0.326 -10.312 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.711 -0.160 -9.607 1.00 0.00 H new ATOM 1257 N LYS A 82 13.390 0.411 -15.174 1.00 0.00 N ATOM 1258 CA LYS A 82 12.712 0.921 -16.351 1.00 0.00 C ATOM 1259 C LYS A 82 12.780 -0.145 -17.420 1.00 0.00 C ATOM 1260 O LYS A 82 13.716 -0.943 -17.438 1.00 0.00 O ATOM 1261 CB LYS A 82 13.363 2.223 -16.842 1.00 0.00 C ATOM 1262 CG LYS A 82 13.246 3.329 -15.797 1.00 0.00 C ATOM 1263 CD LYS A 82 14.029 4.576 -16.186 1.00 0.00 C ATOM 1264 CE LYS A 82 13.747 5.577 -15.064 1.00 0.00 C ATOM 1265 NZ LYS A 82 14.959 6.004 -14.365 1.00 0.00 N ATOM 0 H LYS A 82 14.289 -0.025 -15.377 1.00 0.00 H new ATOM 0 HA LYS A 82 11.674 1.153 -16.112 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.414 2.044 -17.069 1.00 0.00 H new ATOM 0 HB3 LYS A 82 12.887 2.543 -17.769 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.196 3.589 -15.662 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.608 2.959 -14.838 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.095 4.364 -16.269 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.704 4.962 -17.152 1.00 0.00 H new ATOM 0 HE2 LYS A 82 13.247 6.451 -15.481 1.00 0.00 H new ATOM 0 HE3 LYS A 82 13.059 5.128 -14.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.731 6.217 -13.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 15.667 5.243 -14.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.342 6.856 -14.823 1.00 0.00 H new ATOM 1279 N VAL A 83 11.808 -0.123 -18.315 1.00 0.00 N ATOM 1280 CA VAL A 83 11.660 -1.056 -19.416 1.00 0.00 C ATOM 1281 C VAL A 83 11.242 -0.236 -20.612 1.00 0.00 C ATOM 1282 O VAL A 83 10.677 0.839 -20.466 1.00 0.00 O ATOM 1283 CB VAL A 83 10.561 -2.117 -19.165 1.00 0.00 C ATOM 1284 CG1 VAL A 83 11.161 -3.509 -19.042 1.00 0.00 C ATOM 1285 CG2 VAL A 83 9.714 -1.953 -17.907 1.00 0.00 C ATOM 0 H VAL A 83 11.067 0.578 -18.292 1.00 0.00 H new ATOM 0 HA VAL A 83 12.601 -1.589 -19.553 1.00 0.00 H new ATOM 0 HB VAL A 83 9.919 -1.974 -20.034 1.00 0.00 H new ATOM 0 HG11 VAL A 83 10.366 -4.234 -18.866 1.00 0.00 H new ATOM 0 HG12 VAL A 83 11.685 -3.762 -19.964 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.863 -3.530 -18.208 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.984 -2.761 -17.852 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.358 -1.985 -17.028 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.194 -0.996 -17.941 1.00 0.00 H new ATOM 1295 N LYS A 84 11.483 -0.759 -21.796 1.00 0.00 N ATOM 1296 CA LYS A 84 11.008 -0.137 -23.027 1.00 0.00 C ATOM 1297 C LYS A 84 9.599 -0.556 -23.315 1.00 0.00 C ATOM 1298 O LYS A 84 9.152 -1.588 -22.818 1.00 0.00 O ATOM 1299 CB LYS A 84 11.776 -0.539 -24.268 1.00 0.00 C ATOM 1300 CG LYS A 84 13.020 -1.285 -23.837 1.00 0.00 C ATOM 1301 CD LYS A 84 13.755 -1.720 -25.053 1.00 0.00 C ATOM 1302 CE LYS A 84 14.470 -0.432 -25.357 1.00 0.00 C ATOM 1303 NZ LYS A 84 15.059 -0.514 -26.661 1.00 0.00 N ATOM 0 H LYS A 84 12.009 -1.621 -21.938 1.00 0.00 H new ATOM 0 HA LYS A 84 11.126 0.931 -22.842 1.00 0.00 H new ATOM 0 HB2 LYS A 84 11.159 -1.169 -24.909 1.00 0.00 H new ATOM 0 HB3 LYS A 84 12.045 0.342 -24.850 1.00 0.00 H new ATOM 0 HG2 LYS A 84 13.652 -0.644 -23.222 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.752 -2.148 -23.228 1.00 0.00 H new ATOM 0 HD2 LYS A 84 14.438 -2.547 -24.861 1.00 0.00 H new ATOM 0 HD3 LYS A 84 13.091 -2.035 -25.858 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.772 0.404 -25.312 1.00 0.00 H new ATOM 0 HE3 LYS A 84 15.240 -0.245 -24.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 15.554 0.375 -26.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 15.736 -1.303 -26.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 14.314 -0.674 -27.369 1.00 0.00 H new ATOM 1317 N GLY A 85 9.005 0.240 -24.189 1.00 0.00 N ATOM 1318 CA GLY A 85 7.734 -0.050 -24.791 1.00 0.00 C ATOM 1319 C GLY A 85 7.784 -1.340 -25.590 1.00 0.00 C ATOM 1320 O GLY A 85 8.828 -1.566 -26.246 1.00 0.00 O ATOM 1321 OXT GLY A 85 6.755 -2.042 -25.555 1.00 0.00 O ATOM 0 H GLY A 85 9.410 1.123 -24.500 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.972 -0.129 -24.016 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.442 0.773 -25.443 1.00 0.00 H new TER 1325 GLY A 85