USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 693 hydrogens (16 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 NoAdj-H: A 91 SUZ HO2 : A 91 SUZ O2 : A 91 SUZ C12 :(short bond) USER MOD Set 1.1: A 58 ASN : amide:sc= 2.3 K(o=3.5,f=-6.5!) USER MOD Set 1.2: A 85 SER OG : rot 74:sc= 1.22 USER MOD Set 2.1: A 18 SER OG : rot 180:sc= 0.43 USER MOD Set 2.2: A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ASN : amide:sc= -0.166 K(o=-0.17,f=-3.4!) USER MOD Single : A 1 ASN N :NH3+ 173:sc= 1.27 (180deg=1.19) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0254 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= 0.806 K(o=0.81,f=-6.1!) USER MOD Single : A 9 MET CE :methyl -178:sc= 0 (180deg=-0.00554) USER MOD Single : A 12 HIS : no HD1:sc= -1.88 K(o=-1.9,f=-2.5!) USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -0.6 K(o=-0.6,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= 0.716 K(o=0.72,f=-5.9!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0374) USER MOD Single : A 53 MET CE :methyl 161:sc= 0 (180deg=-0.587) USER MOD Single : A 56 GLN : amide:sc= -1.25 K(o=-1.3,f=-3.2!) USER MOD Single : A 61 ASN : amide:sc= -1.33 K(o=-1.3,f=-6.6!) USER MOD Single : A 64 ASN : amide:sc= -0.276 K(o=-0.28,f=-1.4!) USER MOD Single : A 65 MET CE :methyl 134:sc= -0.774 (180deg=-2.61!) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0294 USER MOD Single : A 67 ASN : amide:sc= 1.58 K(o=1.6,f=-5.6!) USER MOD Single : A 79 SER OG : rot 81:sc= 1.29 USER MOD Single : A 80 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.15) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 83:sc= 1 USER MOD Single : A 90 LYS NZ :NH3+ -179:sc= 1.24! (180deg=1.06!) USER MOD Single : A 91 SUZ C1 :methyl -160:sc= -0.0376 (180deg=-0.769) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 4.952 13.184 7.536 1.00 0.00 N ATOM 2 CA ASN A 1 3.673 12.948 8.240 1.00 0.00 C ATOM 3 C ASN A 1 3.124 11.573 7.880 1.00 0.00 C ATOM 4 O ASN A 1 2.828 11.301 6.719 1.00 0.00 O ATOM 5 CB ASN A 1 2.657 14.030 7.856 1.00 0.00 C ATOM 6 CG ASN A 1 1.453 14.082 8.785 1.00 0.00 C ATOM 7 OD1 ASN A 1 1.067 13.080 9.386 1.00 0.00 O ATOM 8 ND2 ASN A 1 0.855 15.256 8.912 1.00 0.00 N ATOM 0 H1 ASN A 1 5.259 14.165 7.693 1.00 0.00 H new ATOM 0 H2 ASN A 1 5.675 12.533 7.902 1.00 0.00 H new ATOM 0 H3 ASN A 1 4.823 13.020 6.517 1.00 0.00 H new ATOM 0 HA ASN A 1 3.850 12.989 9.315 1.00 0.00 H new ATOM 0 HB2 ASN A 1 3.152 15.001 7.859 1.00 0.00 H new ATOM 0 HB3 ASN A 1 2.314 13.851 6.837 1.00 0.00 H new ATOM 0 HD21 ASN A 1 0.045 15.352 9.525 1.00 0.00 H new ATOM 0 HD22 ASN A 1 1.204 16.064 8.397 1.00 0.00 H new ATOM 17 N ILE A 2 2.987 10.710 8.872 1.00 0.00 N ATOM 18 CA ILE A 2 2.476 9.365 8.649 1.00 0.00 C ATOM 19 C ILE A 2 0.985 9.300 8.963 1.00 0.00 C ATOM 20 O ILE A 2 0.543 9.786 10.004 1.00 0.00 O ATOM 21 CB ILE A 2 3.230 8.334 9.515 1.00 0.00 C ATOM 22 CG1 ILE A 2 4.739 8.429 9.267 1.00 0.00 C ATOM 23 CG2 ILE A 2 2.730 6.926 9.228 1.00 0.00 C ATOM 24 CD1 ILE A 2 5.572 7.643 10.260 1.00 0.00 C ATOM 0 H ILE A 2 3.223 10.916 9.843 1.00 0.00 H new ATOM 0 HA ILE A 2 2.634 9.122 7.598 1.00 0.00 H new ATOM 0 HB ILE A 2 3.037 8.559 10.564 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.956 8.071 8.261 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.039 9.476 9.304 1.00 0.00 H new ATOM 0 HG21 ILE A 2 3.274 6.213 9.848 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.665 6.865 9.453 1.00 0.00 H new ATOM 0 HG23 ILE A 2 2.892 6.690 8.176 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.629 7.759 10.020 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.385 8.016 11.267 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.301 6.588 10.208 1.00 0.00 H new ATOM 36 N ILE A 3 0.213 8.710 8.057 1.00 0.00 N ATOM 37 CA ILE A 3 -1.228 8.590 8.236 1.00 0.00 C ATOM 38 C ILE A 3 -1.675 7.138 8.096 1.00 0.00 C ATOM 39 O ILE A 3 -1.271 6.438 7.166 1.00 0.00 O ATOM 40 CB ILE A 3 -2.006 9.451 7.212 1.00 0.00 C ATOM 41 CG1 ILE A 3 -1.531 10.906 7.261 1.00 0.00 C ATOM 42 CG2 ILE A 3 -3.505 9.373 7.478 1.00 0.00 C ATOM 43 CD1 ILE A 3 -2.232 11.803 6.265 1.00 0.00 C ATOM 0 H ILE A 3 0.563 8.306 7.188 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.450 8.949 9.241 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.810 9.057 6.215 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.690 11.298 8.266 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.458 10.936 7.073 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.036 9.984 6.749 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.836 8.338 7.394 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.716 9.741 8.482 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.846 12.818 6.355 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.052 11.435 5.255 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.303 11.803 6.466 1.00 0.00 H new ATOM 55 N THR A 4 -2.502 6.691 9.029 1.00 0.00 N ATOM 56 CA THR A 4 -3.020 5.334 9.014 1.00 0.00 C ATOM 57 C THR A 4 -4.508 5.349 8.675 1.00 0.00 C ATOM 58 O THR A 4 -5.331 5.778 9.486 1.00 0.00 O ATOM 59 CB THR A 4 -2.810 4.652 10.378 1.00 0.00 C ATOM 60 OG1 THR A 4 -1.608 5.142 10.982 1.00 0.00 O ATOM 61 CG2 THR A 4 -2.731 3.142 10.226 1.00 0.00 C ATOM 0 H THR A 4 -2.830 7.256 9.812 1.00 0.00 H new ATOM 0 HA THR A 4 -2.478 4.770 8.255 1.00 0.00 H new ATOM 0 HB THR A 4 -3.663 4.887 11.015 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.478 4.708 11.851 1.00 0.00 H new ATOM 0 HG21 THR A 4 -2.582 2.685 11.204 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.658 2.771 9.789 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.895 2.885 9.575 1.00 0.00 H new ATOM 69 N VAL A 5 -4.849 4.900 7.476 1.00 0.00 N ATOM 70 CA VAL A 5 -6.239 4.880 7.037 1.00 0.00 C ATOM 71 C VAL A 5 -6.749 3.453 6.888 1.00 0.00 C ATOM 72 O VAL A 5 -5.969 2.520 6.701 1.00 0.00 O ATOM 73 CB VAL A 5 -6.421 5.616 5.689 1.00 0.00 C ATOM 74 CG1 VAL A 5 -5.864 7.028 5.762 1.00 0.00 C ATOM 75 CG2 VAL A 5 -5.766 4.844 4.553 1.00 0.00 C ATOM 0 H VAL A 5 -4.184 4.545 6.789 1.00 0.00 H new ATOM 0 HA VAL A 5 -6.815 5.395 7.806 1.00 0.00 H new ATOM 0 HB VAL A 5 -7.490 5.679 5.487 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.004 7.524 4.802 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.387 7.586 6.539 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.801 6.988 5.998 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -5.909 5.383 3.617 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -4.700 4.739 4.752 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.220 3.856 4.475 1.00 0.00 H new ATOM 85 N THR A 6 -8.058 3.289 6.975 1.00 0.00 N ATOM 86 CA THR A 6 -8.675 1.983 6.823 1.00 0.00 C ATOM 87 C THR A 6 -9.502 1.971 5.542 1.00 0.00 C ATOM 88 O THR A 6 -10.108 2.982 5.176 1.00 0.00 O ATOM 89 CB THR A 6 -9.565 1.615 8.037 1.00 0.00 C ATOM 90 OG1 THR A 6 -10.069 0.278 7.902 1.00 0.00 O ATOM 91 CG2 THR A 6 -10.730 2.587 8.189 1.00 0.00 C ATOM 0 H THR A 6 -8.716 4.048 7.151 1.00 0.00 H new ATOM 0 HA THR A 6 -7.884 1.235 6.768 1.00 0.00 H new ATOM 0 HB THR A 6 -8.944 1.680 8.930 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.628 0.059 8.677 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.334 2.300 9.050 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.345 3.596 8.336 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.345 2.561 7.290 1.00 0.00 H new ATOM 99 N LEU A 7 -9.508 0.846 4.849 1.00 0.00 N ATOM 100 CA LEU A 7 -10.251 0.725 3.607 1.00 0.00 C ATOM 101 C LEU A 7 -11.416 -0.242 3.746 1.00 0.00 C ATOM 102 O LEU A 7 -11.315 -1.268 4.424 1.00 0.00 O ATOM 103 CB LEU A 7 -9.319 0.263 2.487 1.00 0.00 C ATOM 104 CG LEU A 7 -8.146 1.201 2.195 1.00 0.00 C ATOM 105 CD1 LEU A 7 -7.295 0.643 1.073 1.00 0.00 C ATOM 106 CD2 LEU A 7 -8.640 2.595 1.840 1.00 0.00 C ATOM 0 H LEU A 7 -9.006 0.002 5.126 1.00 0.00 H new ATOM 0 HA LEU A 7 -10.658 1.706 3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.924 -0.719 2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.904 0.142 1.575 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.537 1.276 3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.464 1.320 0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.907 -0.334 1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.901 0.540 0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.787 3.243 1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.274 2.542 0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.213 3.001 2.673 1.00 0.00 H new ATOM 118 N ASN A 8 -12.531 0.103 3.119 1.00 0.00 N ATOM 119 CA ASN A 8 -13.717 -0.736 3.150 1.00 0.00 C ATOM 120 C ASN A 8 -13.649 -1.743 2.016 1.00 0.00 C ATOM 121 O ASN A 8 -13.929 -1.417 0.862 1.00 0.00 O ATOM 122 CB ASN A 8 -14.988 0.112 3.031 1.00 0.00 C ATOM 123 CG ASN A 8 -16.257 -0.727 3.026 1.00 0.00 C ATOM 124 OD1 ASN A 8 -16.714 -1.179 1.977 1.00 0.00 O ATOM 125 ND2 ASN A 8 -16.835 -0.943 4.197 1.00 0.00 N ATOM 0 H ASN A 8 -12.638 0.963 2.581 1.00 0.00 H new ATOM 0 HA ASN A 8 -13.753 -1.263 4.104 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -15.028 0.818 3.861 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -14.943 0.700 2.114 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -17.688 -1.500 4.250 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -16.428 -0.552 5.047 1.00 0.00 H new ATOM 132 N MET A 9 -13.264 -2.966 2.349 1.00 0.00 N ATOM 133 CA MET A 9 -13.145 -4.024 1.357 1.00 0.00 C ATOM 134 C MET A 9 -14.475 -4.735 1.172 1.00 0.00 C ATOM 135 O MET A 9 -14.576 -5.718 0.435 1.00 0.00 O ATOM 136 CB MET A 9 -12.058 -5.020 1.758 1.00 0.00 C ATOM 137 CG MET A 9 -10.663 -4.415 1.760 1.00 0.00 C ATOM 138 SD MET A 9 -10.256 -3.602 0.201 1.00 0.00 S ATOM 139 CE MET A 9 -10.006 -5.017 -0.867 1.00 0.00 C ATOM 0 H MET A 9 -13.028 -3.250 3.300 1.00 0.00 H new ATOM 0 HA MET A 9 -12.861 -3.570 0.407 1.00 0.00 H new ATOM 0 HB2 MET A 9 -12.280 -5.409 2.752 1.00 0.00 H new ATOM 0 HB3 MET A 9 -12.079 -5.867 1.072 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.585 -3.693 2.573 1.00 0.00 H new ATOM 0 HG3 MET A 9 -9.932 -5.198 1.959 1.00 0.00 H new ATOM 0 HE1 MET A 9 -9.712 -4.676 -1.860 1.00 0.00 H new ATOM 0 HE2 MET A 9 -9.221 -5.650 -0.454 1.00 0.00 H new ATOM 0 HE3 MET A 9 -10.932 -5.587 -0.938 1.00 0.00 H new ATOM 149 N GLU A 10 -15.493 -4.235 1.854 1.00 0.00 N ATOM 150 CA GLU A 10 -16.827 -4.796 1.758 1.00 0.00 C ATOM 151 C GLU A 10 -17.445 -4.415 0.422 1.00 0.00 C ATOM 152 O GLU A 10 -17.763 -5.279 -0.397 1.00 0.00 O ATOM 153 CB GLU A 10 -17.704 -4.287 2.900 1.00 0.00 C ATOM 154 CG GLU A 10 -17.220 -4.706 4.275 1.00 0.00 C ATOM 155 CD GLU A 10 -16.884 -6.179 4.349 1.00 0.00 C ATOM 156 OE1 GLU A 10 -17.767 -7.014 4.060 1.00 0.00 O ATOM 157 OE2 GLU A 10 -15.735 -6.510 4.699 1.00 0.00 O ATOM 0 H GLU A 10 -15.417 -3.436 2.484 1.00 0.00 H new ATOM 0 HA GLU A 10 -16.759 -5.881 1.830 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -17.747 -3.199 2.856 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -18.721 -4.652 2.756 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -16.338 -4.122 4.539 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -17.988 -4.475 5.013 1.00 0.00 H new ATOM 164 N ARG A 11 -17.579 -3.113 0.207 1.00 0.00 N ATOM 165 CA ARG A 11 -18.149 -2.589 -1.023 1.00 0.00 C ATOM 166 C ARG A 11 -17.104 -2.583 -2.130 1.00 0.00 C ATOM 167 O ARG A 11 -17.386 -2.958 -3.268 1.00 0.00 O ATOM 168 CB ARG A 11 -18.676 -1.167 -0.798 1.00 0.00 C ATOM 169 CG ARG A 11 -19.142 -0.475 -2.073 1.00 0.00 C ATOM 170 CD ARG A 11 -19.459 0.990 -1.828 1.00 0.00 C ATOM 171 NE ARG A 11 -19.849 1.686 -3.057 1.00 0.00 N ATOM 172 CZ ARG A 11 -20.237 2.963 -3.093 1.00 0.00 C ATOM 173 NH1 ARG A 11 -20.283 3.677 -1.969 1.00 0.00 N ATOM 174 NH2 ARG A 11 -20.582 3.523 -4.247 1.00 0.00 N ATOM 0 H ARG A 11 -17.297 -2.396 0.876 1.00 0.00 H new ATOM 0 HA ARG A 11 -18.977 -3.232 -1.322 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.506 -1.204 -0.092 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -17.891 -0.568 -0.336 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -18.369 -0.558 -2.837 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -20.027 -0.980 -2.460 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -20.264 1.068 -1.097 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -18.587 1.481 -1.396 1.00 0.00 H new ATOM 0 HE ARG A 11 -19.823 1.166 -3.934 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -20.022 3.248 -1.081 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -20.579 4.653 -1.996 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -20.551 2.977 -5.108 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -20.878 4.499 -4.272 1.00 0.00 H new ATOM 188 N HIS A 12 -15.892 -2.169 -1.788 1.00 0.00 N ATOM 189 CA HIS A 12 -14.810 -2.099 -2.760 1.00 0.00 C ATOM 190 C HIS A 12 -14.202 -3.473 -3.014 1.00 0.00 C ATOM 191 O HIS A 12 -14.132 -4.312 -2.116 1.00 0.00 O ATOM 192 CB HIS A 12 -13.728 -1.129 -2.286 1.00 0.00 C ATOM 193 CG HIS A 12 -14.076 0.309 -2.502 1.00 0.00 C ATOM 194 ND1 HIS A 12 -14.158 1.230 -1.480 1.00 0.00 N ATOM 195 CD2 HIS A 12 -14.361 0.986 -3.637 1.00 0.00 C ATOM 196 CE1 HIS A 12 -14.474 2.409 -1.982 1.00 0.00 C ATOM 197 NE2 HIS A 12 -14.601 2.286 -3.287 1.00 0.00 N ATOM 0 H HIS A 12 -15.633 -1.877 -0.846 1.00 0.00 H new ATOM 0 HA HIS A 12 -15.231 -1.735 -3.697 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -13.544 -1.294 -1.224 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -12.798 -1.352 -2.809 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -14.393 0.576 -4.636 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -14.606 3.320 -1.418 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -14.840 3.039 -3.932 1.00 0.00 H new ATOM 206 N HIS A 13 -13.775 -3.701 -4.245 1.00 0.00 N ATOM 207 CA HIS A 13 -13.167 -4.967 -4.620 1.00 0.00 C ATOM 208 C HIS A 13 -11.651 -4.839 -4.676 1.00 0.00 C ATOM 209 O HIS A 13 -10.937 -5.836 -4.579 1.00 0.00 O ATOM 210 CB HIS A 13 -13.700 -5.448 -5.973 1.00 0.00 C ATOM 211 CG HIS A 13 -14.999 -6.189 -5.877 1.00 0.00 C ATOM 212 ND1 HIS A 13 -15.084 -7.562 -5.927 1.00 0.00 N ATOM 213 CD2 HIS A 13 -16.268 -5.743 -5.729 1.00 0.00 C ATOM 214 CE1 HIS A 13 -16.344 -7.928 -5.814 1.00 0.00 C ATOM 215 NE2 HIS A 13 -17.085 -6.843 -5.691 1.00 0.00 N ATOM 0 H HIS A 13 -13.839 -3.023 -5.004 1.00 0.00 H new ATOM 0 HA HIS A 13 -13.430 -5.703 -3.860 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.830 -4.588 -6.630 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.956 -6.095 -6.438 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -16.579 -4.712 -5.655 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -16.709 -8.944 -5.821 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -18.099 -6.826 -5.585 1.00 0.00 H new ATOM 224 N PHE A 14 -11.163 -3.611 -4.825 1.00 0.00 N ATOM 225 CA PHE A 14 -9.725 -3.367 -4.897 1.00 0.00 C ATOM 226 C PHE A 14 -9.355 -2.036 -4.245 1.00 0.00 C ATOM 227 O PHE A 14 -10.230 -1.256 -3.860 1.00 0.00 O ATOM 228 CB PHE A 14 -9.245 -3.409 -6.352 1.00 0.00 C ATOM 229 CG PHE A 14 -9.962 -2.466 -7.277 1.00 0.00 C ATOM 230 CD1 PHE A 14 -11.152 -2.835 -7.883 1.00 0.00 C ATOM 231 CD2 PHE A 14 -9.438 -1.214 -7.546 1.00 0.00 C ATOM 232 CE1 PHE A 14 -11.803 -1.970 -8.738 1.00 0.00 C ATOM 233 CE2 PHE A 14 -10.084 -0.347 -8.401 1.00 0.00 C ATOM 234 CZ PHE A 14 -11.269 -0.725 -8.998 1.00 0.00 C ATOM 0 H PHE A 14 -11.739 -2.772 -4.898 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.222 -4.160 -4.343 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -8.180 -3.180 -6.376 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.361 -4.425 -6.729 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.574 -3.809 -7.684 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.511 -0.912 -7.080 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.731 -2.268 -9.204 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -9.663 0.627 -8.603 1.00 0.00 H new ATOM 0 HZ PHE A 14 -11.778 -0.047 -9.668 1.00 0.00 H new ATOM 244 N LEU A 15 -8.052 -1.772 -4.142 1.00 0.00 N ATOM 245 CA LEU A 15 -7.559 -0.549 -3.514 1.00 0.00 C ATOM 246 C LEU A 15 -7.431 0.586 -4.525 1.00 0.00 C ATOM 247 O LEU A 15 -7.807 1.723 -4.241 1.00 0.00 O ATOM 248 CB LEU A 15 -6.199 -0.795 -2.846 1.00 0.00 C ATOM 249 CG LEU A 15 -6.065 -2.116 -2.081 1.00 0.00 C ATOM 250 CD1 LEU A 15 -4.674 -2.238 -1.476 1.00 0.00 C ATOM 251 CD2 LEU A 15 -7.128 -2.224 -1.000 1.00 0.00 C ATOM 0 H LEU A 15 -7.319 -2.391 -4.487 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.287 -0.257 -2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.426 -0.761 -3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.000 0.025 -2.156 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.212 -2.936 -2.784 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.594 -3.181 -0.936 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.928 -2.210 -2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.503 -1.410 -0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.013 -3.170 -0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.017 -1.398 -0.297 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.117 -2.182 -1.457 1.00 0.00 H new ATOM 263 N GLY A 16 -6.911 0.266 -5.703 1.00 0.00 N ATOM 264 CA GLY A 16 -6.733 1.263 -6.743 1.00 0.00 C ATOM 265 C GLY A 16 -5.501 2.123 -6.530 1.00 0.00 C ATOM 266 O GLY A 16 -5.568 3.345 -6.650 1.00 0.00 O ATOM 0 H GLY A 16 -6.607 -0.673 -5.959 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -6.659 0.764 -7.709 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -7.615 1.903 -6.781 1.00 0.00 H new ATOM 270 N ILE A 17 -4.375 1.485 -6.227 1.00 0.00 N ATOM 271 CA ILE A 17 -3.110 2.198 -5.997 1.00 0.00 C ATOM 272 C ILE A 17 -1.934 1.337 -6.436 1.00 0.00 C ATOM 273 O ILE A 17 -1.593 0.364 -5.764 1.00 0.00 O ATOM 274 CB ILE A 17 -2.907 2.584 -4.512 1.00 0.00 C ATOM 275 CG1 ILE A 17 -3.393 1.464 -3.581 1.00 0.00 C ATOM 276 CG2 ILE A 17 -3.611 3.898 -4.196 1.00 0.00 C ATOM 277 CD1 ILE A 17 -2.845 1.561 -2.169 1.00 0.00 C ATOM 0 H ILE A 17 -4.306 0.472 -6.133 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.160 3.114 -6.585 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.839 2.721 -4.341 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -4.482 1.485 -3.540 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.108 0.502 -4.006 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -3.456 4.151 -3.147 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.203 4.690 -4.824 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -4.679 3.795 -4.390 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.233 0.736 -1.571 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.757 1.509 -2.197 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.152 2.507 -1.724 1.00 0.00 H new ATOM 289 N SER A 18 -1.319 1.678 -7.562 1.00 0.00 N ATOM 290 CA SER A 18 -0.203 0.888 -8.068 1.00 0.00 C ATOM 291 C SER A 18 1.039 1.082 -7.207 1.00 0.00 C ATOM 292 O SER A 18 1.367 2.195 -6.797 1.00 0.00 O ATOM 293 CB SER A 18 0.072 1.199 -9.543 1.00 0.00 C ATOM 294 OG SER A 18 0.624 2.496 -9.709 1.00 0.00 O ATOM 0 H SER A 18 -1.569 2.484 -8.135 1.00 0.00 H new ATOM 0 HA SER A 18 -0.480 -0.165 -8.007 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.758 0.456 -9.950 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.855 1.122 -10.111 1.00 0.00 H new ATOM 0 HG SER A 18 0.789 2.662 -10.661 1.00 0.00 H new ATOM 300 N ILE A 19 1.708 -0.021 -6.922 1.00 0.00 N ATOM 301 CA ILE A 19 2.897 -0.005 -6.090 1.00 0.00 C ATOM 302 C ILE A 19 4.158 0.141 -6.929 1.00 0.00 C ATOM 303 O ILE A 19 4.367 -0.601 -7.892 1.00 0.00 O ATOM 304 CB ILE A 19 2.997 -1.296 -5.247 1.00 0.00 C ATOM 305 CG1 ILE A 19 1.645 -1.622 -4.597 1.00 0.00 C ATOM 306 CG2 ILE A 19 4.084 -1.166 -4.189 1.00 0.00 C ATOM 307 CD1 ILE A 19 1.107 -0.515 -3.711 1.00 0.00 C ATOM 0 H ILE A 19 1.444 -0.947 -7.258 1.00 0.00 H new ATOM 0 HA ILE A 19 2.812 0.855 -5.426 1.00 0.00 H new ATOM 0 HB ILE A 19 3.265 -2.118 -5.911 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.917 -1.833 -5.381 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.748 -2.531 -4.004 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.137 -2.086 -3.607 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.044 -0.987 -4.674 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.850 -0.332 -3.528 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.150 -0.820 -3.288 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.814 -0.319 -2.905 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.971 0.390 -4.302 1.00 0.00 H new ATOM 319 N VAL A 20 4.981 1.115 -6.568 1.00 0.00 N ATOM 320 CA VAL A 20 6.234 1.369 -7.258 1.00 0.00 C ATOM 321 C VAL A 20 7.404 1.100 -6.317 1.00 0.00 C ATOM 322 O VAL A 20 7.580 1.795 -5.316 1.00 0.00 O ATOM 323 CB VAL A 20 6.309 2.826 -7.773 1.00 0.00 C ATOM 324 CG1 VAL A 20 7.608 3.071 -8.527 1.00 0.00 C ATOM 325 CG2 VAL A 20 5.108 3.138 -8.654 1.00 0.00 C ATOM 0 H VAL A 20 4.798 1.749 -5.790 1.00 0.00 H new ATOM 0 HA VAL A 20 6.287 0.700 -8.117 1.00 0.00 H new ATOM 0 HB VAL A 20 6.291 3.494 -6.912 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.636 4.102 -8.878 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.454 2.891 -7.863 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.666 2.395 -9.380 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.174 4.166 -9.009 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.097 2.460 -9.507 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.191 3.012 -8.078 1.00 0.00 H new ATOM 335 N GLY A 21 8.179 0.070 -6.620 1.00 0.00 N ATOM 336 CA GLY A 21 9.318 -0.269 -5.792 1.00 0.00 C ATOM 337 C GLY A 21 10.545 0.541 -6.154 1.00 0.00 C ATOM 338 O GLY A 21 11.189 0.281 -7.175 1.00 0.00 O ATOM 0 H GLY A 21 8.039 -0.539 -7.426 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.068 -0.099 -4.745 1.00 0.00 H new ATOM 0 HA3 GLY A 21 9.540 -1.331 -5.899 1.00 0.00 H new ATOM 342 N GLN A 22 10.864 1.524 -5.318 1.00 0.00 N ATOM 343 CA GLN A 22 12.017 2.383 -5.548 1.00 0.00 C ATOM 344 C GLN A 22 13.304 1.570 -5.465 1.00 0.00 C ATOM 345 O GLN A 22 13.612 0.983 -4.429 1.00 0.00 O ATOM 346 CB GLN A 22 12.048 3.521 -4.522 1.00 0.00 C ATOM 347 CG GLN A 22 13.154 4.535 -4.769 1.00 0.00 C ATOM 348 CD GLN A 22 13.135 5.690 -3.781 1.00 0.00 C ATOM 349 OE1 GLN A 22 13.435 6.829 -4.135 1.00 0.00 O ATOM 350 NE2 GLN A 22 12.790 5.410 -2.534 1.00 0.00 N ATOM 0 H GLN A 22 10.337 1.745 -4.473 1.00 0.00 H new ATOM 0 HA GLN A 22 11.935 2.814 -6.546 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.087 4.035 -4.533 1.00 0.00 H new ATOM 0 HB3 GLN A 22 12.171 3.097 -3.525 1.00 0.00 H new ATOM 0 HG2 GLN A 22 14.119 4.032 -4.712 1.00 0.00 H new ATOM 0 HG3 GLN A 22 13.059 4.929 -5.781 1.00 0.00 H new ATOM 0 HE21 GLN A 22 12.547 4.454 -2.275 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.767 6.150 -1.833 1.00 0.00 H new ATOM 359 N SER A 23 14.043 1.531 -6.558 1.00 0.00 N ATOM 360 CA SER A 23 15.283 0.781 -6.607 1.00 0.00 C ATOM 361 C SER A 23 16.487 1.717 -6.598 1.00 0.00 C ATOM 362 O SER A 23 16.391 2.872 -7.019 1.00 0.00 O ATOM 363 CB SER A 23 15.308 -0.097 -7.855 1.00 0.00 C ATOM 364 OG SER A 23 14.064 -0.757 -8.029 1.00 0.00 O ATOM 0 H SER A 23 13.805 2.011 -7.426 1.00 0.00 H new ATOM 0 HA SER A 23 15.339 0.148 -5.721 1.00 0.00 H new ATOM 0 HB2 SER A 23 15.527 0.514 -8.731 1.00 0.00 H new ATOM 0 HB3 SER A 23 16.107 -0.833 -7.772 1.00 0.00 H new ATOM 0 HG SER A 23 14.099 -1.314 -8.835 1.00 0.00 H new ATOM 370 N ASN A 24 17.606 1.212 -6.103 1.00 0.00 N ATOM 371 CA ASN A 24 18.841 1.980 -6.042 1.00 0.00 C ATOM 372 C ASN A 24 20.026 1.025 -6.028 1.00 0.00 C ATOM 373 O ASN A 24 19.847 -0.190 -6.142 1.00 0.00 O ATOM 374 CB ASN A 24 18.862 2.877 -4.798 1.00 0.00 C ATOM 375 CG ASN A 24 19.632 4.172 -5.013 1.00 0.00 C ATOM 376 OD1 ASN A 24 20.573 4.231 -5.807 1.00 0.00 O ATOM 377 ND2 ASN A 24 19.246 5.216 -4.300 1.00 0.00 N ATOM 0 H ASN A 24 17.685 0.264 -5.734 1.00 0.00 H new ATOM 0 HA ASN A 24 18.904 2.623 -6.920 1.00 0.00 H new ATOM 0 HB2 ASN A 24 17.838 3.113 -4.510 1.00 0.00 H new ATOM 0 HB3 ASN A 24 19.308 2.328 -3.969 1.00 0.00 H new ATOM 0 HD21 ASN A 24 19.731 6.108 -4.397 1.00 0.00 H new ATOM 0 HD22 ASN A 24 18.463 5.130 -3.652 1.00 0.00 H new ATOM 384 N ASP A 25 21.224 1.568 -5.878 1.00 0.00 N ATOM 385 CA ASP A 25 22.439 0.761 -5.856 1.00 0.00 C ATOM 386 C ASP A 25 22.469 -0.157 -4.638 1.00 0.00 C ATOM 387 O ASP A 25 22.920 -1.298 -4.723 1.00 0.00 O ATOM 388 CB ASP A 25 23.676 1.661 -5.855 1.00 0.00 C ATOM 389 CG ASP A 25 24.766 1.140 -6.763 1.00 0.00 C ATOM 390 OD1 ASP A 25 25.424 0.144 -6.402 1.00 0.00 O ATOM 391 OD2 ASP A 25 24.973 1.733 -7.847 1.00 0.00 O ATOM 0 H ASP A 25 21.384 2.570 -5.769 1.00 0.00 H new ATOM 0 HA ASP A 25 22.444 0.143 -6.754 1.00 0.00 H new ATOM 0 HB2 ASP A 25 23.392 2.665 -6.171 1.00 0.00 H new ATOM 0 HB3 ASP A 25 24.061 1.744 -4.839 1.00 0.00 H new ATOM 396 N ARG A 26 21.974 0.342 -3.511 1.00 0.00 N ATOM 397 CA ARG A 26 21.955 -0.439 -2.278 1.00 0.00 C ATOM 398 C ARG A 26 20.829 -1.474 -2.292 1.00 0.00 C ATOM 399 O ARG A 26 21.085 -2.679 -2.343 1.00 0.00 O ATOM 400 CB ARG A 26 21.814 0.487 -1.070 1.00 0.00 C ATOM 401 CG ARG A 26 23.009 1.396 -0.858 1.00 0.00 C ATOM 402 CD ARG A 26 24.188 0.639 -0.277 1.00 0.00 C ATOM 403 NE ARG A 26 25.397 1.456 -0.243 1.00 0.00 N ATOM 404 CZ ARG A 26 25.804 2.150 0.818 1.00 0.00 C ATOM 405 NH1 ARG A 26 25.077 2.166 1.932 1.00 0.00 N ATOM 406 NH2 ARG A 26 26.938 2.840 0.760 1.00 0.00 N ATOM 0 H ARG A 26 21.582 1.280 -3.425 1.00 0.00 H new ATOM 0 HA ARG A 26 22.900 -0.977 -2.204 1.00 0.00 H new ATOM 0 HB2 ARG A 26 20.920 1.099 -1.194 1.00 0.00 H new ATOM 0 HB3 ARG A 26 21.665 -0.117 -0.175 1.00 0.00 H new ATOM 0 HG2 ARG A 26 23.297 1.847 -1.808 1.00 0.00 H new ATOM 0 HG3 ARG A 26 22.733 2.211 -0.189 1.00 0.00 H new ATOM 0 HD2 ARG A 26 23.945 0.308 0.733 1.00 0.00 H new ATOM 0 HD3 ARG A 26 24.372 -0.257 -0.870 1.00 0.00 H new ATOM 0 HE ARG A 26 25.968 1.498 -1.087 1.00 0.00 H new ATOM 0 HH11 ARG A 26 24.202 1.644 1.977 1.00 0.00 H new ATOM 0 HH12 ARG A 26 25.395 2.700 2.741 1.00 0.00 H new ATOM 0 HH21 ARG A 26 27.494 2.837 -0.095 1.00 0.00 H new ATOM 0 HH22 ARG A 26 27.253 3.373 1.571 1.00 0.00 H new ATOM 420 N GLY A 27 19.586 -1.006 -2.246 1.00 0.00 N ATOM 421 CA GLY A 27 18.454 -1.917 -2.265 1.00 0.00 C ATOM 422 C GLY A 27 17.294 -1.444 -1.416 1.00 0.00 C ATOM 423 O GLY A 27 16.136 -1.735 -1.719 1.00 0.00 O ATOM 0 H GLY A 27 19.342 -0.017 -2.196 1.00 0.00 H new ATOM 0 HA2 GLY A 27 18.115 -2.044 -3.293 1.00 0.00 H new ATOM 0 HA3 GLY A 27 18.778 -2.896 -1.913 1.00 0.00 H new ATOM 427 N ASP A 28 17.598 -0.708 -0.360 1.00 0.00 N ATOM 428 CA ASP A 28 16.571 -0.194 0.541 1.00 0.00 C ATOM 429 C ASP A 28 15.900 1.048 -0.048 1.00 0.00 C ATOM 430 O ASP A 28 16.180 2.181 0.345 1.00 0.00 O ATOM 431 CB ASP A 28 17.167 0.111 1.924 1.00 0.00 C ATOM 432 CG ASP A 28 18.336 1.082 1.874 1.00 0.00 C ATOM 433 OD1 ASP A 28 19.341 0.780 1.191 1.00 0.00 O ATOM 434 OD2 ASP A 28 18.255 2.151 2.515 1.00 0.00 O ATOM 0 H ASP A 28 18.551 -0.450 -0.102 1.00 0.00 H new ATOM 0 HA ASP A 28 15.808 -0.963 0.660 1.00 0.00 H new ATOM 0 HB2 ASP A 28 16.388 0.524 2.565 1.00 0.00 H new ATOM 0 HB3 ASP A 28 17.497 -0.821 2.383 1.00 0.00 H new ATOM 439 N GLY A 29 15.026 0.823 -1.016 1.00 0.00 N ATOM 440 CA GLY A 29 14.329 1.919 -1.651 1.00 0.00 C ATOM 441 C GLY A 29 13.002 2.215 -0.990 1.00 0.00 C ATOM 442 O GLY A 29 12.808 3.293 -0.427 1.00 0.00 O ATOM 0 H GLY A 29 14.787 -0.102 -1.374 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.955 2.811 -1.620 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.164 1.681 -2.702 1.00 0.00 H new ATOM 446 N GLY A 30 12.089 1.259 -1.050 1.00 0.00 N ATOM 447 CA GLY A 30 10.787 1.448 -0.450 1.00 0.00 C ATOM 448 C GLY A 30 9.679 1.454 -1.481 1.00 0.00 C ATOM 449 O GLY A 30 9.880 1.886 -2.617 1.00 0.00 O ATOM 0 H GLY A 30 12.227 0.356 -1.503 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.603 0.654 0.274 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.775 2.389 0.100 1.00 0.00 H new ATOM 453 N ILE A 31 8.507 0.974 -1.093 1.00 0.00 N ATOM 454 CA ILE A 31 7.365 0.927 -1.992 1.00 0.00 C ATOM 455 C ILE A 31 6.551 2.216 -1.906 1.00 0.00 C ATOM 456 O ILE A 31 6.106 2.621 -0.830 1.00 0.00 O ATOM 457 CB ILE A 31 6.461 -0.290 -1.703 1.00 0.00 C ATOM 458 CG1 ILE A 31 6.214 -0.446 -0.200 1.00 0.00 C ATOM 459 CG2 ILE A 31 7.093 -1.551 -2.273 1.00 0.00 C ATOM 460 CD1 ILE A 31 5.101 -1.419 0.133 1.00 0.00 C ATOM 0 H ILE A 31 8.322 0.610 -0.158 1.00 0.00 H new ATOM 0 HA ILE A 31 7.757 0.824 -3.004 1.00 0.00 H new ATOM 0 HB ILE A 31 5.497 -0.127 -2.185 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.134 -0.782 0.278 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.972 0.529 0.223 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.450 -2.406 -2.065 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.215 -1.442 -3.351 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.068 -1.710 -1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.982 -1.479 1.215 1.00 0.00 H new ATOM 0 HD12 ILE A 31 4.170 -1.074 -0.316 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.350 -2.405 -0.260 1.00 0.00 H new ATOM 472 N TYR A 32 6.374 2.867 -3.045 1.00 0.00 N ATOM 473 CA TYR A 32 5.634 4.117 -3.103 1.00 0.00 C ATOM 474 C TYR A 32 4.357 3.971 -3.919 1.00 0.00 C ATOM 475 O TYR A 32 4.238 3.068 -4.751 1.00 0.00 O ATOM 476 CB TYR A 32 6.508 5.213 -3.718 1.00 0.00 C ATOM 477 CG TYR A 32 7.509 5.815 -2.762 1.00 0.00 C ATOM 478 CD1 TYR A 32 8.714 5.180 -2.491 1.00 0.00 C ATOM 479 CD2 TYR A 32 7.251 7.023 -2.139 1.00 0.00 C ATOM 480 CE1 TYR A 32 9.630 5.733 -1.617 1.00 0.00 C ATOM 481 CE2 TYR A 32 8.159 7.586 -1.266 1.00 0.00 C ATOM 482 CZ TYR A 32 9.347 6.938 -1.008 1.00 0.00 C ATOM 483 OH TYR A 32 10.252 7.496 -0.132 1.00 0.00 O ATOM 0 H TYR A 32 6.734 2.549 -3.945 1.00 0.00 H new ATOM 0 HA TYR A 32 5.360 4.389 -2.084 1.00 0.00 H new ATOM 0 HB2 TYR A 32 7.042 4.799 -4.573 1.00 0.00 H new ATOM 0 HB3 TYR A 32 5.863 6.006 -4.098 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.939 4.239 -2.971 1.00 0.00 H new ATOM 0 HD2 TYR A 32 6.321 7.535 -2.340 1.00 0.00 H new ATOM 0 HE1 TYR A 32 10.561 5.225 -1.412 1.00 0.00 H new ATOM 0 HE2 TYR A 32 7.940 8.529 -0.788 1.00 0.00 H new ATOM 0 HH TYR A 32 9.898 8.345 0.207 1.00 0.00 H new ATOM 493 N ILE A 33 3.405 4.858 -3.662 1.00 0.00 N ATOM 494 CA ILE A 33 2.141 4.862 -4.382 1.00 0.00 C ATOM 495 C ILE A 33 2.333 5.533 -5.737 1.00 0.00 C ATOM 496 O ILE A 33 2.573 6.740 -5.810 1.00 0.00 O ATOM 497 CB ILE A 33 1.039 5.608 -3.591 1.00 0.00 C ATOM 498 CG1 ILE A 33 0.850 4.984 -2.203 1.00 0.00 C ATOM 499 CG2 ILE A 33 -0.275 5.602 -4.363 1.00 0.00 C ATOM 500 CD1 ILE A 33 0.367 3.548 -2.234 1.00 0.00 C ATOM 0 H ILE A 33 3.487 5.588 -2.955 1.00 0.00 H new ATOM 0 HA ILE A 33 1.823 3.828 -4.513 1.00 0.00 H new ATOM 0 HB ILE A 33 1.356 6.643 -3.461 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.797 5.027 -1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.136 5.585 -1.640 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.036 6.131 -3.790 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.135 6.097 -5.324 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.595 4.573 -4.528 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.258 3.179 -1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.596 3.499 -2.742 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.091 2.932 -2.768 1.00 0.00 H new ATOM 512 N GLY A 34 2.244 4.747 -6.799 1.00 0.00 N ATOM 513 CA GLY A 34 2.424 5.274 -8.136 1.00 0.00 C ATOM 514 C GLY A 34 1.240 6.083 -8.614 1.00 0.00 C ATOM 515 O GLY A 34 1.258 7.313 -8.576 1.00 0.00 O ATOM 0 H GLY A 34 2.049 3.747 -6.758 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.317 5.899 -8.158 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.596 4.448 -8.826 1.00 0.00 H new ATOM 519 N SER A 35 0.209 5.396 -9.071 1.00 0.00 N ATOM 520 CA SER A 35 -0.981 6.061 -9.563 1.00 0.00 C ATOM 521 C SER A 35 -2.229 5.517 -8.880 1.00 0.00 C ATOM 522 O SER A 35 -2.296 4.333 -8.536 1.00 0.00 O ATOM 523 CB SER A 35 -1.093 5.878 -11.077 1.00 0.00 C ATOM 524 OG SER A 35 0.141 5.442 -11.625 1.00 0.00 O ATOM 0 H SER A 35 0.173 4.377 -9.111 1.00 0.00 H new ATOM 0 HA SER A 35 -0.900 7.123 -9.333 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.873 5.151 -11.303 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.390 6.819 -11.541 1.00 0.00 H new ATOM 0 HG SER A 35 0.047 5.329 -12.594 1.00 0.00 H new ATOM 530 N ILE A 36 -3.206 6.390 -8.680 1.00 0.00 N ATOM 531 CA ILE A 36 -4.459 6.007 -8.054 1.00 0.00 C ATOM 532 C ILE A 36 -5.502 5.757 -9.134 1.00 0.00 C ATOM 533 O ILE A 36 -5.526 6.447 -10.156 1.00 0.00 O ATOM 534 CB ILE A 36 -4.965 7.089 -7.072 1.00 0.00 C ATOM 535 CG1 ILE A 36 -3.881 7.417 -6.044 1.00 0.00 C ATOM 536 CG2 ILE A 36 -6.238 6.630 -6.372 1.00 0.00 C ATOM 537 CD1 ILE A 36 -4.319 8.409 -4.990 1.00 0.00 C ATOM 0 H ILE A 36 -3.152 7.374 -8.945 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.289 5.097 -7.478 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.195 7.990 -7.641 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.567 6.495 -5.554 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.009 7.814 -6.564 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.576 7.407 -5.686 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.013 6.439 -7.114 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.037 5.715 -5.814 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.497 8.591 -4.298 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.605 9.346 -5.468 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.172 8.006 -4.443 1.00 0.00 H new ATOM 549 N MET A 37 -6.341 4.758 -8.920 1.00 0.00 N ATOM 550 CA MET A 37 -7.373 4.415 -9.885 1.00 0.00 C ATOM 551 C MET A 37 -8.757 4.726 -9.334 1.00 0.00 C ATOM 552 O MET A 37 -9.105 4.308 -8.226 1.00 0.00 O ATOM 553 CB MET A 37 -7.283 2.937 -10.260 1.00 0.00 C ATOM 554 CG MET A 37 -5.926 2.521 -10.804 1.00 0.00 C ATOM 555 SD MET A 37 -5.381 3.540 -12.188 1.00 0.00 S ATOM 556 CE MET A 37 -3.811 2.771 -12.576 1.00 0.00 C ATOM 0 H MET A 37 -6.328 4.170 -8.087 1.00 0.00 H new ATOM 0 HA MET A 37 -7.212 5.019 -10.778 1.00 0.00 H new ATOM 0 HB2 MET A 37 -7.511 2.335 -9.381 1.00 0.00 H new ATOM 0 HB3 MET A 37 -8.046 2.714 -11.006 1.00 0.00 H new ATOM 0 HG2 MET A 37 -5.187 2.578 -10.005 1.00 0.00 H new ATOM 0 HG3 MET A 37 -5.972 1.480 -11.122 1.00 0.00 H new ATOM 0 HE1 MET A 37 -3.349 3.291 -13.415 1.00 0.00 H new ATOM 0 HE2 MET A 37 -3.154 2.827 -11.708 1.00 0.00 H new ATOM 0 HE3 MET A 37 -3.973 1.726 -12.841 1.00 0.00 H new ATOM 566 N LYS A 38 -9.537 5.465 -10.110 1.00 0.00 N ATOM 567 CA LYS A 38 -10.887 5.835 -9.712 1.00 0.00 C ATOM 568 C LYS A 38 -11.768 4.595 -9.633 1.00 0.00 C ATOM 569 O LYS A 38 -11.977 3.900 -10.630 1.00 0.00 O ATOM 570 CB LYS A 38 -11.485 6.840 -10.702 1.00 0.00 C ATOM 571 CG LYS A 38 -12.836 7.393 -10.278 1.00 0.00 C ATOM 572 CD LYS A 38 -12.704 8.360 -9.114 1.00 0.00 C ATOM 573 CE LYS A 38 -14.036 9.003 -8.762 1.00 0.00 C ATOM 574 NZ LYS A 38 -15.023 8.013 -8.260 1.00 0.00 N ATOM 0 H LYS A 38 -9.256 5.822 -11.023 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.841 6.302 -8.728 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.788 7.668 -10.829 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.589 6.359 -11.675 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -13.303 7.900 -11.122 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.494 6.571 -9.996 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.314 7.831 -8.244 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.981 9.136 -9.366 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -13.878 9.771 -8.005 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.440 9.502 -9.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.885 8.507 -7.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.259 7.343 -9.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.616 7.495 -7.455 1.00 0.00 H new ATOM 588 N GLY A 39 -12.277 4.326 -8.443 1.00 0.00 N ATOM 589 CA GLY A 39 -13.113 3.164 -8.239 1.00 0.00 C ATOM 590 C GLY A 39 -12.554 2.279 -7.152 1.00 0.00 C ATOM 591 O GLY A 39 -13.218 1.351 -6.681 1.00 0.00 O ATOM 0 H GLY A 39 -12.125 4.895 -7.610 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -14.122 3.480 -7.973 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -13.190 2.600 -9.168 1.00 0.00 H new ATOM 595 N GLY A 40 -11.319 2.562 -6.761 1.00 0.00 N ATOM 596 CA GLY A 40 -10.677 1.793 -5.720 1.00 0.00 C ATOM 597 C GLY A 40 -11.027 2.301 -4.338 1.00 0.00 C ATOM 598 O GLY A 40 -11.619 3.371 -4.194 1.00 0.00 O ATOM 0 H GLY A 40 -10.750 3.314 -7.150 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.973 0.748 -5.807 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.596 1.830 -5.856 1.00 0.00 H new ATOM 602 N ALA A 41 -10.657 1.534 -3.323 1.00 0.00 N ATOM 603 CA ALA A 41 -10.933 1.890 -1.937 1.00 0.00 C ATOM 604 C ALA A 41 -10.196 3.160 -1.516 1.00 0.00 C ATOM 605 O ALA A 41 -10.735 3.979 -0.773 1.00 0.00 O ATOM 606 CB ALA A 41 -10.561 0.735 -1.021 1.00 0.00 C ATOM 0 H ALA A 41 -10.159 0.651 -3.435 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.001 2.091 -1.852 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.770 1.009 0.013 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.146 -0.145 -1.289 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -9.500 0.512 -1.130 1.00 0.00 H new ATOM 612 N VAL A 42 -8.974 3.330 -2.011 1.00 0.00 N ATOM 613 CA VAL A 42 -8.163 4.497 -1.670 1.00 0.00 C ATOM 614 C VAL A 42 -8.696 5.755 -2.353 1.00 0.00 C ATOM 615 O VAL A 42 -8.632 6.854 -1.798 1.00 0.00 O ATOM 616 CB VAL A 42 -6.688 4.286 -2.064 1.00 0.00 C ATOM 617 CG1 VAL A 42 -5.850 5.507 -1.703 1.00 0.00 C ATOM 618 CG2 VAL A 42 -6.136 3.036 -1.395 1.00 0.00 C ATOM 0 H VAL A 42 -8.522 2.675 -2.650 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.224 4.626 -0.589 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.636 4.151 -3.144 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.813 5.334 -1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.233 6.380 -2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.904 5.681 -0.628 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.093 2.900 -1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.203 3.143 -0.312 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.716 2.168 -1.710 1.00 0.00 H new ATOM 628 N ALA A 43 -9.262 5.576 -3.541 1.00 0.00 N ATOM 629 CA ALA A 43 -9.809 6.689 -4.310 1.00 0.00 C ATOM 630 C ALA A 43 -11.083 7.231 -3.661 1.00 0.00 C ATOM 631 O ALA A 43 -11.656 8.221 -4.118 1.00 0.00 O ATOM 632 CB ALA A 43 -10.086 6.259 -5.745 1.00 0.00 C ATOM 0 H ALA A 43 -9.355 4.667 -3.995 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.068 7.488 -4.321 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.494 7.101 -6.305 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.158 5.928 -6.211 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.805 5.440 -5.747 1.00 0.00 H new ATOM 638 N ALA A 44 -11.527 6.568 -2.600 1.00 0.00 N ATOM 639 CA ALA A 44 -12.719 6.986 -1.880 1.00 0.00 C ATOM 640 C ALA A 44 -12.344 7.575 -0.523 1.00 0.00 C ATOM 641 O ALA A 44 -13.207 7.819 0.322 1.00 0.00 O ATOM 642 CB ALA A 44 -13.674 5.816 -1.714 1.00 0.00 C ATOM 0 H ALA A 44 -11.076 5.736 -2.220 1.00 0.00 H new ATOM 0 HA ALA A 44 -13.222 7.760 -2.460 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.561 6.145 -1.173 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.965 5.442 -2.696 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -13.182 5.021 -1.154 1.00 0.00 H new ATOM 648 N ASP A 45 -11.050 7.793 -0.316 1.00 0.00 N ATOM 649 CA ASP A 45 -10.566 8.361 0.935 1.00 0.00 C ATOM 650 C ASP A 45 -10.086 9.789 0.715 1.00 0.00 C ATOM 651 O ASP A 45 -10.680 10.735 1.230 1.00 0.00 O ATOM 652 CB ASP A 45 -9.443 7.516 1.532 1.00 0.00 C ATOM 653 CG ASP A 45 -9.102 7.946 2.944 1.00 0.00 C ATOM 654 OD1 ASP A 45 -8.232 8.828 3.111 1.00 0.00 O ATOM 655 OD2 ASP A 45 -9.710 7.407 3.893 1.00 0.00 O ATOM 0 H ASP A 45 -10.320 7.585 -0.997 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.396 8.367 1.642 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.739 6.467 1.534 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.556 7.596 0.904 1.00 0.00 H new ATOM 660 N GLY A 46 -9.003 9.942 -0.040 1.00 0.00 N ATOM 661 CA GLY A 46 -8.495 11.267 -0.338 1.00 0.00 C ATOM 662 C GLY A 46 -7.228 11.645 0.412 1.00 0.00 C ATOM 663 O GLY A 46 -6.536 12.584 0.015 1.00 0.00 O ATOM 0 H GLY A 46 -8.470 9.175 -0.449 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -8.301 11.335 -1.408 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.269 11.999 -0.107 1.00 0.00 H new ATOM 667 N ARG A 47 -6.909 10.939 1.492 1.00 0.00 N ATOM 668 CA ARG A 47 -5.713 11.261 2.271 1.00 0.00 C ATOM 669 C ARG A 47 -4.451 10.720 1.609 1.00 0.00 C ATOM 670 O ARG A 47 -3.379 11.323 1.714 1.00 0.00 O ATOM 671 CB ARG A 47 -5.839 10.737 3.701 1.00 0.00 C ATOM 672 CG ARG A 47 -6.720 11.615 4.575 1.00 0.00 C ATOM 673 CD ARG A 47 -7.068 10.936 5.884 1.00 0.00 C ATOM 674 NE ARG A 47 -7.951 9.786 5.686 1.00 0.00 N ATOM 675 CZ ARG A 47 -8.628 9.193 6.668 1.00 0.00 C ATOM 676 NH1 ARG A 47 -8.535 9.644 7.909 1.00 0.00 N ATOM 677 NH2 ARG A 47 -9.401 8.149 6.410 1.00 0.00 N ATOM 0 H ARG A 47 -7.451 10.151 1.846 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.628 12.347 2.308 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.249 9.727 3.678 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.847 10.668 4.147 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.208 12.556 4.778 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.636 11.860 4.038 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.153 10.610 6.378 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.550 11.654 6.548 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.054 9.417 4.741 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.943 10.449 8.116 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.055 9.187 8.658 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.480 7.796 5.456 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.918 7.698 7.165 1.00 0.00 H new ATOM 691 N ILE A 48 -4.577 9.591 0.929 1.00 0.00 N ATOM 692 CA ILE A 48 -3.443 8.987 0.239 1.00 0.00 C ATOM 693 C ILE A 48 -3.355 9.531 -1.181 1.00 0.00 C ATOM 694 O ILE A 48 -4.372 9.654 -1.869 1.00 0.00 O ATOM 695 CB ILE A 48 -3.549 7.447 0.197 1.00 0.00 C ATOM 696 CG1 ILE A 48 -3.637 6.877 1.616 1.00 0.00 C ATOM 697 CG2 ILE A 48 -2.360 6.845 -0.545 1.00 0.00 C ATOM 698 CD1 ILE A 48 -3.801 5.371 1.651 1.00 0.00 C ATOM 0 H ILE A 48 -5.451 9.073 0.839 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.542 9.245 0.795 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.459 7.182 -0.341 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.736 7.150 2.166 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.478 7.339 2.133 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -2.454 5.759 -0.563 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.339 7.224 -1.567 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.436 7.121 -0.036 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.857 5.035 2.686 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.717 5.093 1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.948 4.901 1.162 1.00 0.00 H new ATOM 710 N GLU A 49 -2.149 9.870 -1.612 1.00 0.00 N ATOM 711 CA GLU A 49 -1.941 10.409 -2.946 1.00 0.00 C ATOM 712 C GLU A 49 -0.634 9.880 -3.538 1.00 0.00 C ATOM 713 O GLU A 49 0.207 9.345 -2.812 1.00 0.00 O ATOM 714 CB GLU A 49 -1.938 11.941 -2.892 1.00 0.00 C ATOM 715 CG GLU A 49 -0.721 12.523 -2.198 1.00 0.00 C ATOM 716 CD GLU A 49 -0.929 13.958 -1.777 1.00 0.00 C ATOM 717 OE1 GLU A 49 -0.905 14.850 -2.650 1.00 0.00 O ATOM 718 OE2 GLU A 49 -1.118 14.198 -0.567 1.00 0.00 O ATOM 0 H GLU A 49 -1.299 9.781 -1.056 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.757 10.086 -3.593 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.988 12.332 -3.908 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.836 12.280 -2.376 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.484 11.921 -1.321 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.138 12.464 -2.867 1.00 0.00 H new ATOM 725 N PRO A 50 -0.450 9.993 -4.866 1.00 0.00 N ATOM 726 CA PRO A 50 0.773 9.536 -5.529 1.00 0.00 C ATOM 727 C PRO A 50 2.016 10.167 -4.917 1.00 0.00 C ATOM 728 O PRO A 50 2.118 11.395 -4.811 1.00 0.00 O ATOM 729 CB PRO A 50 0.593 9.999 -6.973 1.00 0.00 C ATOM 730 CG PRO A 50 -0.879 10.093 -7.150 1.00 0.00 C ATOM 731 CD PRO A 50 -1.415 10.560 -5.830 1.00 0.00 C ATOM 0 HA PRO A 50 0.916 8.460 -5.434 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.076 10.961 -7.145 1.00 0.00 H new ATOM 0 HB3 PRO A 50 1.033 9.291 -7.675 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.134 10.792 -7.946 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -1.303 9.127 -7.426 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.454 11.648 -5.771 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.426 10.195 -5.652 1.00 0.00 H new ATOM 739 N GLY A 51 2.950 9.325 -4.507 1.00 0.00 N ATOM 740 CA GLY A 51 4.169 9.811 -3.895 1.00 0.00 C ATOM 741 C GLY A 51 4.287 9.377 -2.448 1.00 0.00 C ATOM 742 O GLY A 51 5.354 9.481 -1.849 1.00 0.00 O ATOM 0 H GLY A 51 2.886 8.310 -4.587 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.028 9.443 -4.456 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.194 10.899 -3.951 1.00 0.00 H new ATOM 746 N ASP A 52 3.183 8.907 -1.878 1.00 0.00 N ATOM 747 CA ASP A 52 3.179 8.442 -0.494 1.00 0.00 C ATOM 748 C ASP A 52 3.881 7.092 -0.406 1.00 0.00 C ATOM 749 O ASP A 52 3.816 6.297 -1.342 1.00 0.00 O ATOM 750 CB ASP A 52 1.748 8.317 0.042 1.00 0.00 C ATOM 751 CG ASP A 52 1.066 9.660 0.240 1.00 0.00 C ATOM 752 OD1 ASP A 52 1.767 10.687 0.348 1.00 0.00 O ATOM 753 OD2 ASP A 52 -0.180 9.697 0.294 1.00 0.00 O ATOM 0 H ASP A 52 2.282 8.838 -2.350 1.00 0.00 H new ATOM 0 HA ASP A 52 3.709 9.174 0.116 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.159 7.715 -0.650 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.768 7.783 0.992 1.00 0.00 H new ATOM 758 N MET A 53 4.560 6.838 0.704 1.00 0.00 N ATOM 759 CA MET A 53 5.274 5.578 0.894 1.00 0.00 C ATOM 760 C MET A 53 4.523 4.677 1.869 1.00 0.00 C ATOM 761 O MET A 53 4.020 5.144 2.889 1.00 0.00 O ATOM 762 CB MET A 53 6.694 5.844 1.411 1.00 0.00 C ATOM 763 CG MET A 53 7.486 4.582 1.717 1.00 0.00 C ATOM 764 SD MET A 53 9.165 4.933 2.279 1.00 0.00 S ATOM 765 CE MET A 53 9.728 3.290 2.723 1.00 0.00 C ATOM 0 H MET A 53 4.633 7.486 1.488 1.00 0.00 H new ATOM 0 HA MET A 53 5.337 5.071 -0.069 1.00 0.00 H new ATOM 0 HB2 MET A 53 7.236 6.430 0.669 1.00 0.00 H new ATOM 0 HB3 MET A 53 6.633 6.451 2.314 1.00 0.00 H new ATOM 0 HG2 MET A 53 6.964 4.007 2.482 1.00 0.00 H new ATOM 0 HG3 MET A 53 7.529 3.959 0.823 1.00 0.00 H new ATOM 0 HE1 MET A 53 10.817 3.277 2.763 1.00 0.00 H new ATOM 0 HE2 MET A 53 9.326 3.019 3.699 1.00 0.00 H new ATOM 0 HE3 MET A 53 9.384 2.574 1.977 1.00 0.00 H new ATOM 775 N LEU A 54 4.449 3.392 1.558 1.00 0.00 N ATOM 776 CA LEU A 54 3.766 2.439 2.423 1.00 0.00 C ATOM 777 C LEU A 54 4.731 1.882 3.459 1.00 0.00 C ATOM 778 O LEU A 54 5.745 1.277 3.111 1.00 0.00 O ATOM 779 CB LEU A 54 3.171 1.299 1.595 1.00 0.00 C ATOM 780 CG LEU A 54 1.888 1.640 0.837 1.00 0.00 C ATOM 781 CD1 LEU A 54 1.533 0.525 -0.132 1.00 0.00 C ATOM 782 CD2 LEU A 54 0.740 1.891 1.805 1.00 0.00 C ATOM 0 H LEU A 54 4.852 2.984 0.715 1.00 0.00 H new ATOM 0 HA LEU A 54 2.957 2.957 2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.920 0.965 0.877 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.969 0.458 2.258 1.00 0.00 H new ATOM 0 HG LEU A 54 2.059 2.553 0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.617 0.783 -0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.344 0.394 -0.848 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.383 -0.403 0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.163 2.132 1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.567 0.997 2.404 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.993 2.724 2.461 1.00 0.00 H new ATOM 794 N LEU A 55 4.424 2.105 4.728 1.00 0.00 N ATOM 795 CA LEU A 55 5.274 1.623 5.808 1.00 0.00 C ATOM 796 C LEU A 55 4.746 0.306 6.358 1.00 0.00 C ATOM 797 O LEU A 55 5.369 -0.743 6.202 1.00 0.00 O ATOM 798 CB LEU A 55 5.357 2.659 6.933 1.00 0.00 C ATOM 799 CG LEU A 55 5.842 4.047 6.516 1.00 0.00 C ATOM 800 CD1 LEU A 55 5.935 4.956 7.731 1.00 0.00 C ATOM 801 CD2 LEU A 55 7.190 3.961 5.816 1.00 0.00 C ATOM 0 H LEU A 55 3.596 2.615 5.035 1.00 0.00 H new ATOM 0 HA LEU A 55 6.273 1.461 5.404 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.370 2.759 7.385 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.024 2.277 7.706 1.00 0.00 H new ATOM 0 HG LEU A 55 5.121 4.467 5.815 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.282 5.942 7.422 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.953 5.045 8.195 1.00 0.00 H new ATOM 0 HD13 LEU A 55 6.638 4.533 8.449 1.00 0.00 H new ATOM 0 HD21 LEU A 55 7.515 4.961 5.528 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.924 3.521 6.492 1.00 0.00 H new ATOM 0 HD23 LEU A 55 7.099 3.339 4.926 1.00 0.00 H new ATOM 813 N GLN A 56 3.589 0.369 6.995 1.00 0.00 N ATOM 814 CA GLN A 56 2.967 -0.810 7.578 1.00 0.00 C ATOM 815 C GLN A 56 1.590 -1.031 6.966 1.00 0.00 C ATOM 816 O GLN A 56 0.796 -0.093 6.845 1.00 0.00 O ATOM 817 CB GLN A 56 2.861 -0.639 9.093 1.00 0.00 C ATOM 818 CG GLN A 56 2.481 -1.910 9.833 1.00 0.00 C ATOM 819 CD GLN A 56 2.399 -1.719 11.335 1.00 0.00 C ATOM 820 OE1 GLN A 56 1.576 -2.342 12.004 1.00 0.00 O ATOM 821 NE2 GLN A 56 3.256 -0.866 11.880 1.00 0.00 N ATOM 0 H GLN A 56 3.057 1.230 7.123 1.00 0.00 H new ATOM 0 HA GLN A 56 3.582 -1.685 7.366 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.816 -0.280 9.476 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.121 0.131 9.311 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.518 -2.265 9.464 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.213 -2.686 9.610 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.924 -0.368 11.291 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.247 -0.708 12.888 1.00 0.00 H new ATOM 830 N VAL A 57 1.310 -2.262 6.571 1.00 0.00 N ATOM 831 CA VAL A 57 0.029 -2.590 5.967 1.00 0.00 C ATOM 832 C VAL A 57 -0.637 -3.742 6.704 1.00 0.00 C ATOM 833 O VAL A 57 -0.318 -4.903 6.471 1.00 0.00 O ATOM 834 CB VAL A 57 0.175 -2.957 4.475 1.00 0.00 C ATOM 835 CG1 VAL A 57 -1.182 -3.283 3.867 1.00 0.00 C ATOM 836 CG2 VAL A 57 0.855 -1.833 3.702 1.00 0.00 C ATOM 0 H VAL A 57 1.952 -3.050 6.658 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.594 -1.699 6.044 1.00 0.00 H new ATOM 0 HB VAL A 57 0.804 -3.844 4.405 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.057 -3.539 2.815 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.624 -4.127 4.396 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.837 -2.416 3.954 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.946 -2.116 2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.259 -0.924 3.782 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.847 -1.654 4.117 1.00 0.00 H new ATOM 846 N ASN A 58 -1.560 -3.405 7.595 1.00 0.00 N ATOM 847 CA ASN A 58 -2.294 -4.394 8.377 1.00 0.00 C ATOM 848 C ASN A 58 -1.357 -5.237 9.237 1.00 0.00 C ATOM 849 O ASN A 58 -1.261 -6.455 9.062 1.00 0.00 O ATOM 850 CB ASN A 58 -3.148 -5.292 7.473 1.00 0.00 C ATOM 851 CG ASN A 58 -4.632 -5.034 7.648 1.00 0.00 C ATOM 852 OD1 ASN A 58 -5.037 -3.956 8.079 1.00 0.00 O ATOM 853 ND2 ASN A 58 -5.455 -6.009 7.302 1.00 0.00 N ATOM 0 H ASN A 58 -1.822 -2.440 7.797 1.00 0.00 H new ATOM 0 HA ASN A 58 -2.960 -3.847 9.045 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.872 -5.124 6.432 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.934 -6.337 7.695 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -6.463 -5.880 7.389 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.082 -6.890 6.948 1.00 0.00 H new ATOM 860 N ASP A 59 -0.652 -4.554 10.143 1.00 0.00 N ATOM 861 CA ASP A 59 0.280 -5.169 11.101 1.00 0.00 C ATOM 862 C ASP A 59 1.655 -5.469 10.506 1.00 0.00 C ATOM 863 O ASP A 59 2.672 -5.184 11.143 1.00 0.00 O ATOM 864 CB ASP A 59 -0.307 -6.427 11.750 1.00 0.00 C ATOM 865 CG ASP A 59 -1.353 -6.096 12.795 1.00 0.00 C ATOM 866 OD1 ASP A 59 -1.038 -5.340 13.737 1.00 0.00 O ATOM 867 OD2 ASP A 59 -2.501 -6.579 12.677 1.00 0.00 O ATOM 0 H ASP A 59 -0.712 -3.540 10.236 1.00 0.00 H new ATOM 0 HA ASP A 59 0.426 -4.416 11.876 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.752 -7.057 10.980 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.495 -7.004 12.211 1.00 0.00 H new ATOM 872 N VAL A 60 1.710 -6.041 9.307 1.00 0.00 N ATOM 873 CA VAL A 60 3.002 -6.351 8.698 1.00 0.00 C ATOM 874 C VAL A 60 3.725 -5.071 8.279 1.00 0.00 C ATOM 875 O VAL A 60 3.173 -4.216 7.579 1.00 0.00 O ATOM 876 CB VAL A 60 2.894 -7.328 7.496 1.00 0.00 C ATOM 877 CG1 VAL A 60 2.500 -8.719 7.968 1.00 0.00 C ATOM 878 CG2 VAL A 60 1.909 -6.831 6.456 1.00 0.00 C ATOM 0 H VAL A 60 0.896 -6.295 8.747 1.00 0.00 H new ATOM 0 HA VAL A 60 3.585 -6.861 9.465 1.00 0.00 H new ATOM 0 HB VAL A 60 3.878 -7.378 7.029 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.430 -9.388 7.110 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.253 -9.095 8.661 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.534 -8.672 8.472 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.862 -7.542 5.631 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.922 -6.733 6.908 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.235 -5.861 6.081 1.00 0.00 H new ATOM 888 N ASN A 61 4.959 -4.942 8.735 1.00 0.00 N ATOM 889 CA ASN A 61 5.773 -3.771 8.441 1.00 0.00 C ATOM 890 C ASN A 61 6.709 -4.054 7.270 1.00 0.00 C ATOM 891 O ASN A 61 7.364 -5.094 7.239 1.00 0.00 O ATOM 892 CB ASN A 61 6.579 -3.386 9.682 1.00 0.00 C ATOM 893 CG ASN A 61 7.460 -2.175 9.460 1.00 0.00 C ATOM 894 OD1 ASN A 61 7.128 -1.280 8.685 1.00 0.00 O ATOM 895 ND2 ASN A 61 8.590 -2.141 10.141 1.00 0.00 N ATOM 0 H ASN A 61 5.424 -5.640 9.316 1.00 0.00 H new ATOM 0 HA ASN A 61 5.120 -2.943 8.165 1.00 0.00 H new ATOM 0 HB2 ASN A 61 5.894 -3.185 10.506 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.200 -4.230 9.982 1.00 0.00 H new ATOM 0 HD21 ASN A 61 9.226 -1.351 10.034 1.00 0.00 H new ATOM 0 HD22 ASN A 61 8.827 -2.905 10.774 1.00 0.00 H new ATOM 902 N PHE A 62 6.782 -3.130 6.317 1.00 0.00 N ATOM 903 CA PHE A 62 7.632 -3.312 5.146 1.00 0.00 C ATOM 904 C PHE A 62 8.841 -2.381 5.171 1.00 0.00 C ATOM 905 O PHE A 62 9.620 -2.340 4.215 1.00 0.00 O ATOM 906 CB PHE A 62 6.821 -3.073 3.872 1.00 0.00 C ATOM 907 CG PHE A 62 5.673 -4.028 3.705 1.00 0.00 C ATOM 908 CD1 PHE A 62 5.854 -5.387 3.903 1.00 0.00 C ATOM 909 CD2 PHE A 62 4.417 -3.569 3.347 1.00 0.00 C ATOM 910 CE1 PHE A 62 4.804 -6.268 3.754 1.00 0.00 C ATOM 911 CE2 PHE A 62 3.361 -4.446 3.197 1.00 0.00 C ATOM 912 CZ PHE A 62 3.554 -5.797 3.398 1.00 0.00 C ATOM 0 H PHE A 62 6.265 -2.251 6.332 1.00 0.00 H new ATOM 0 HA PHE A 62 8.001 -4.337 5.162 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.437 -2.053 3.881 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.482 -3.157 3.009 1.00 0.00 H new ATOM 0 HD1 PHE A 62 6.829 -5.761 4.177 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.261 -2.513 3.183 1.00 0.00 H new ATOM 0 HE1 PHE A 62 4.958 -7.325 3.915 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.385 -4.074 2.923 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.730 -6.485 3.278 1.00 0.00 H new ATOM 922 N GLU A 63 8.999 -1.641 6.266 1.00 0.00 N ATOM 923 CA GLU A 63 10.119 -0.711 6.405 1.00 0.00 C ATOM 924 C GLU A 63 11.456 -1.443 6.350 1.00 0.00 C ATOM 925 O GLU A 63 12.435 -0.932 5.802 1.00 0.00 O ATOM 926 CB GLU A 63 10.027 0.063 7.720 1.00 0.00 C ATOM 927 CG GLU A 63 8.952 1.137 7.733 1.00 0.00 C ATOM 928 CD GLU A 63 9.000 1.991 8.982 1.00 0.00 C ATOM 929 OE1 GLU A 63 10.033 1.967 9.686 1.00 0.00 O ATOM 930 OE2 GLU A 63 8.010 2.693 9.266 1.00 0.00 O ATOM 0 H GLU A 63 8.369 -1.666 7.068 1.00 0.00 H new ATOM 0 HA GLU A 63 10.061 -0.013 5.570 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.833 -0.640 8.530 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.992 0.527 7.924 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.069 1.774 6.856 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.972 0.666 7.656 1.00 0.00 H new ATOM 937 N ASN A 64 11.496 -2.638 6.916 1.00 0.00 N ATOM 938 CA ASN A 64 12.719 -3.425 6.934 1.00 0.00 C ATOM 939 C ASN A 64 12.592 -4.647 6.036 1.00 0.00 C ATOM 940 O ASN A 64 13.113 -5.717 6.347 1.00 0.00 O ATOM 941 CB ASN A 64 13.056 -3.853 8.363 1.00 0.00 C ATOM 942 CG ASN A 64 14.453 -3.435 8.770 1.00 0.00 C ATOM 943 OD1 ASN A 64 14.982 -2.436 8.285 1.00 0.00 O ATOM 944 ND2 ASN A 64 15.063 -4.191 9.670 1.00 0.00 N ATOM 0 H ASN A 64 10.698 -3.084 7.368 1.00 0.00 H new ATOM 0 HA ASN A 64 13.528 -2.802 6.552 1.00 0.00 H new ATOM 0 HB2 ASN A 64 12.333 -3.416 9.052 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.963 -4.936 8.448 1.00 0.00 H new ATOM 0 HD21 ASN A 64 16.004 -3.952 9.984 1.00 0.00 H new ATOM 0 HD22 ASN A 64 14.592 -5.012 10.050 1.00 0.00 H new ATOM 951 N MET A 65 11.897 -4.482 4.919 1.00 0.00 N ATOM 952 CA MET A 65 11.705 -5.567 3.969 1.00 0.00 C ATOM 953 C MET A 65 12.041 -5.098 2.559 1.00 0.00 C ATOM 954 O MET A 65 11.968 -3.906 2.258 1.00 0.00 O ATOM 955 CB MET A 65 10.265 -6.088 4.027 1.00 0.00 C ATOM 956 CG MET A 65 9.930 -6.811 5.322 1.00 0.00 C ATOM 957 SD MET A 65 8.274 -7.525 5.327 1.00 0.00 S ATOM 958 CE MET A 65 8.427 -8.761 4.041 1.00 0.00 C ATOM 0 H MET A 65 11.456 -3.603 4.649 1.00 0.00 H new ATOM 0 HA MET A 65 12.376 -6.383 4.237 1.00 0.00 H new ATOM 0 HB2 MET A 65 9.579 -5.250 3.901 1.00 0.00 H new ATOM 0 HB3 MET A 65 10.099 -6.765 3.189 1.00 0.00 H new ATOM 0 HG2 MET A 65 10.661 -7.602 5.489 1.00 0.00 H new ATOM 0 HG3 MET A 65 10.021 -6.113 6.154 1.00 0.00 H new ATOM 0 HE1 MET A 65 7.994 -9.700 4.385 1.00 0.00 H new ATOM 0 HE2 MET A 65 7.900 -8.424 3.148 1.00 0.00 H new ATOM 0 HE3 MET A 65 9.480 -8.912 3.805 1.00 0.00 H new ATOM 968 N SER A 66 12.431 -6.034 1.710 1.00 0.00 N ATOM 969 CA SER A 66 12.776 -5.720 0.333 1.00 0.00 C ATOM 970 C SER A 66 11.527 -5.308 -0.447 1.00 0.00 C ATOM 971 O SER A 66 10.412 -5.689 -0.084 1.00 0.00 O ATOM 972 CB SER A 66 13.439 -6.932 -0.326 1.00 0.00 C ATOM 973 OG SER A 66 14.152 -7.704 0.632 1.00 0.00 O ATOM 0 H SER A 66 12.517 -7.021 1.951 1.00 0.00 H new ATOM 0 HA SER A 66 13.478 -4.886 0.326 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.680 -7.551 -0.805 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.120 -6.598 -1.109 1.00 0.00 H new ATOM 0 HG SER A 66 14.566 -8.474 0.189 1.00 0.00 H new ATOM 979 N ASN A 67 11.722 -4.535 -1.512 1.00 0.00 N ATOM 980 CA ASN A 67 10.615 -4.060 -2.346 1.00 0.00 C ATOM 981 C ASN A 67 9.755 -5.222 -2.822 1.00 0.00 C ATOM 982 O ASN A 67 8.528 -5.180 -2.736 1.00 0.00 O ATOM 983 CB ASN A 67 11.141 -3.311 -3.572 1.00 0.00 C ATOM 984 CG ASN A 67 11.781 -1.977 -3.244 1.00 0.00 C ATOM 985 OD1 ASN A 67 11.406 -1.302 -2.289 1.00 0.00 O ATOM 986 ND2 ASN A 67 12.758 -1.592 -4.045 1.00 0.00 N ATOM 0 H ASN A 67 12.642 -4.221 -1.822 1.00 0.00 H new ATOM 0 HA ASN A 67 10.014 -3.388 -1.733 1.00 0.00 H new ATOM 0 HB2 ASN A 67 11.871 -3.938 -4.084 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.318 -3.148 -4.268 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.232 -0.704 -3.881 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.039 -2.183 -4.827 1.00 0.00 H new ATOM 993 N ASP A 68 10.418 -6.259 -3.319 1.00 0.00 N ATOM 994 CA ASP A 68 9.737 -7.446 -3.826 1.00 0.00 C ATOM 995 C ASP A 68 8.898 -8.105 -2.739 1.00 0.00 C ATOM 996 O ASP A 68 7.708 -8.353 -2.927 1.00 0.00 O ATOM 997 CB ASP A 68 10.756 -8.453 -4.365 1.00 0.00 C ATOM 998 CG ASP A 68 11.140 -8.192 -5.808 1.00 0.00 C ATOM 999 OD1 ASP A 68 11.878 -7.219 -6.071 1.00 0.00 O ATOM 1000 OD2 ASP A 68 10.718 -8.969 -6.689 1.00 0.00 O ATOM 0 H ASP A 68 11.435 -6.302 -3.382 1.00 0.00 H new ATOM 0 HA ASP A 68 9.075 -7.131 -4.633 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.652 -8.422 -3.745 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.344 -9.459 -4.280 1.00 0.00 H new ATOM 1005 N ASP A 69 9.523 -8.368 -1.598 1.00 0.00 N ATOM 1006 CA ASP A 69 8.838 -9.009 -0.476 1.00 0.00 C ATOM 1007 C ASP A 69 7.654 -8.182 0.006 1.00 0.00 C ATOM 1008 O ASP A 69 6.605 -8.729 0.349 1.00 0.00 O ATOM 1009 CB ASP A 69 9.806 -9.248 0.683 1.00 0.00 C ATOM 1010 CG ASP A 69 10.611 -10.517 0.511 1.00 0.00 C ATOM 1011 OD1 ASP A 69 10.130 -11.447 -0.168 1.00 0.00 O ATOM 1012 OD2 ASP A 69 11.730 -10.592 1.055 1.00 0.00 O ATOM 0 H ASP A 69 10.503 -8.148 -1.423 1.00 0.00 H new ATOM 0 HA ASP A 69 8.462 -9.968 -0.833 1.00 0.00 H new ATOM 0 HB2 ASP A 69 10.485 -8.399 0.767 1.00 0.00 H new ATOM 0 HB3 ASP A 69 9.245 -9.301 1.616 1.00 0.00 H new ATOM 1017 N ALA A 70 7.827 -6.865 0.028 1.00 0.00 N ATOM 1018 CA ALA A 70 6.771 -5.958 0.457 1.00 0.00 C ATOM 1019 C ALA A 70 5.534 -6.137 -0.411 1.00 0.00 C ATOM 1020 O ALA A 70 4.417 -6.266 0.093 1.00 0.00 O ATOM 1021 CB ALA A 70 7.263 -4.521 0.397 1.00 0.00 C ATOM 0 H ALA A 70 8.693 -6.401 -0.248 1.00 0.00 H new ATOM 0 HA ALA A 70 6.502 -6.192 1.487 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.467 -3.850 0.719 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.125 -4.404 1.054 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.551 -4.277 -0.626 1.00 0.00 H new ATOM 1027 N VAL A 71 5.748 -6.162 -1.719 1.00 0.00 N ATOM 1028 CA VAL A 71 4.658 -6.338 -2.667 1.00 0.00 C ATOM 1029 C VAL A 71 4.062 -7.741 -2.546 1.00 0.00 C ATOM 1030 O VAL A 71 2.847 -7.918 -2.632 1.00 0.00 O ATOM 1031 CB VAL A 71 5.132 -6.092 -4.119 1.00 0.00 C ATOM 1032 CG1 VAL A 71 4.019 -6.375 -5.117 1.00 0.00 C ATOM 1033 CG2 VAL A 71 5.633 -4.667 -4.284 1.00 0.00 C ATOM 0 H VAL A 71 6.668 -6.062 -2.148 1.00 0.00 H new ATOM 0 HA VAL A 71 3.890 -5.603 -2.427 1.00 0.00 H new ATOM 0 HB VAL A 71 5.953 -6.780 -4.321 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.382 -6.193 -6.128 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.704 -7.415 -5.026 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.172 -5.720 -4.913 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.962 -4.514 -5.312 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.828 -3.969 -4.053 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.469 -4.494 -3.606 1.00 0.00 H new ATOM 1043 N ARG A 72 4.923 -8.733 -2.323 1.00 0.00 N ATOM 1044 CA ARG A 72 4.485 -10.125 -2.191 1.00 0.00 C ATOM 1045 C ARG A 72 3.479 -10.286 -1.054 1.00 0.00 C ATOM 1046 O ARG A 72 2.400 -10.848 -1.248 1.00 0.00 O ATOM 1047 CB ARG A 72 5.686 -11.045 -1.960 1.00 0.00 C ATOM 1048 CG ARG A 72 6.544 -11.244 -3.198 1.00 0.00 C ATOM 1049 CD ARG A 72 7.815 -12.017 -2.885 1.00 0.00 C ATOM 1050 NE ARG A 72 8.706 -12.082 -4.042 1.00 0.00 N ATOM 1051 CZ ARG A 72 10.028 -11.919 -3.982 1.00 0.00 C ATOM 1052 NH1 ARG A 72 10.634 -11.704 -2.817 1.00 0.00 N ATOM 1053 NH2 ARG A 72 10.753 -11.973 -5.088 1.00 0.00 N ATOM 0 H ARG A 72 5.930 -8.600 -2.230 1.00 0.00 H new ATOM 0 HA ARG A 72 3.994 -10.406 -3.123 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.303 -10.631 -1.163 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.329 -12.015 -1.615 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.971 -11.778 -3.956 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.804 -10.273 -3.620 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.334 -11.543 -2.052 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.558 -13.027 -2.566 1.00 0.00 H new ATOM 0 HE ARG A 72 8.289 -12.264 -4.955 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.087 -11.662 -1.957 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.646 -11.581 -2.784 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.300 -12.139 -5.987 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.764 -11.848 -5.041 1.00 0.00 H new ATOM 1067 N VAL A 73 3.828 -9.780 0.123 1.00 0.00 N ATOM 1068 CA VAL A 73 2.950 -9.872 1.283 1.00 0.00 C ATOM 1069 C VAL A 73 1.675 -9.068 1.052 1.00 0.00 C ATOM 1070 O VAL A 73 0.576 -9.517 1.385 1.00 0.00 O ATOM 1071 CB VAL A 73 3.644 -9.370 2.564 1.00 0.00 C ATOM 1072 CG1 VAL A 73 2.718 -9.491 3.765 1.00 0.00 C ATOM 1073 CG2 VAL A 73 4.933 -10.134 2.811 1.00 0.00 C ATOM 0 H VAL A 73 4.712 -9.302 0.299 1.00 0.00 H new ATOM 0 HA VAL A 73 2.701 -10.925 1.416 1.00 0.00 H new ATOM 0 HB VAL A 73 3.888 -8.317 2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 73 3.230 -9.131 4.657 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.822 -8.894 3.595 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.438 -10.535 3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.407 -9.764 3.720 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.711 -11.195 2.924 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.608 -9.992 1.967 1.00 0.00 H new ATOM 1083 N LEU A 74 1.827 -7.887 0.460 1.00 0.00 N ATOM 1084 CA LEU A 74 0.693 -7.021 0.171 1.00 0.00 C ATOM 1085 C LEU A 74 -0.313 -7.737 -0.728 1.00 0.00 C ATOM 1086 O LEU A 74 -1.518 -7.669 -0.495 1.00 0.00 O ATOM 1087 CB LEU A 74 1.168 -5.726 -0.493 1.00 0.00 C ATOM 1088 CG LEU A 74 0.063 -4.719 -0.835 1.00 0.00 C ATOM 1089 CD1 LEU A 74 -0.611 -4.200 0.426 1.00 0.00 C ATOM 1090 CD2 LEU A 74 0.629 -3.568 -1.650 1.00 0.00 C ATOM 0 H LEU A 74 2.729 -7.508 0.171 1.00 0.00 H new ATOM 0 HA LEU A 74 0.201 -6.772 1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.886 -5.241 0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.700 -5.981 -1.409 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.691 -5.232 -1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.390 -3.488 0.155 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.054 -5.033 0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.128 -3.706 1.057 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.168 -2.862 -1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.405 -3.062 -1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.057 -3.953 -2.576 1.00 0.00 H new ATOM 1102 N ARG A 75 0.194 -8.452 -1.729 1.00 0.00 N ATOM 1103 CA ARG A 75 -0.656 -9.189 -2.663 1.00 0.00 C ATOM 1104 C ARG A 75 -1.525 -10.207 -1.930 1.00 0.00 C ATOM 1105 O ARG A 75 -2.688 -10.405 -2.275 1.00 0.00 O ATOM 1106 CB ARG A 75 0.195 -9.900 -3.719 1.00 0.00 C ATOM 1107 CG ARG A 75 0.843 -8.953 -4.713 1.00 0.00 C ATOM 1108 CD ARG A 75 1.724 -9.692 -5.705 1.00 0.00 C ATOM 1109 NE ARG A 75 0.942 -10.330 -6.760 1.00 0.00 N ATOM 1110 CZ ARG A 75 1.012 -10.000 -8.050 1.00 0.00 C ATOM 1111 NH1 ARG A 75 1.827 -9.030 -8.456 1.00 0.00 N ATOM 1112 NH2 ARG A 75 0.258 -10.641 -8.935 1.00 0.00 N ATOM 0 H ARG A 75 1.193 -8.537 -1.915 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.308 -8.468 -3.156 1.00 0.00 H new ATOM 0 HB2 ARG A 75 0.973 -10.477 -3.219 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -0.430 -10.610 -4.260 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.069 -8.406 -5.252 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.440 -8.215 -4.176 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.433 -8.994 -6.151 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.308 -10.447 -5.179 1.00 0.00 H new ATOM 0 HE ARG A 75 0.300 -11.077 -6.493 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.405 -8.532 -7.778 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.874 -8.784 -9.445 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.371 -11.382 -8.627 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.308 -10.392 -9.923 1.00 0.00 H new ATOM 1126 N GLU A 76 -0.959 -10.828 -0.904 1.00 0.00 N ATOM 1127 CA GLU A 76 -1.678 -11.825 -0.119 1.00 0.00 C ATOM 1128 C GLU A 76 -2.810 -11.182 0.676 1.00 0.00 C ATOM 1129 O GLU A 76 -3.883 -11.767 0.834 1.00 0.00 O ATOM 1130 CB GLU A 76 -0.720 -12.554 0.820 1.00 0.00 C ATOM 1131 CG GLU A 76 0.368 -13.326 0.093 1.00 0.00 C ATOM 1132 CD GLU A 76 -0.193 -14.295 -0.929 1.00 0.00 C ATOM 1133 OE1 GLU A 76 -0.671 -15.378 -0.527 1.00 0.00 O ATOM 1134 OE2 GLU A 76 -0.155 -13.984 -2.137 1.00 0.00 O ATOM 0 H GLU A 76 -0.002 -10.659 -0.595 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.114 -12.548 -0.808 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.256 -11.829 1.488 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.289 -13.243 1.444 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.036 -12.624 -0.405 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.967 -13.875 0.820 1.00 0.00 H new ATOM 1141 N ILE A 77 -2.566 -9.972 1.170 1.00 0.00 N ATOM 1142 CA ILE A 77 -3.568 -9.240 1.935 1.00 0.00 C ATOM 1143 C ILE A 77 -4.636 -8.678 1.002 1.00 0.00 C ATOM 1144 O ILE A 77 -5.831 -8.725 1.296 1.00 0.00 O ATOM 1145 CB ILE A 77 -2.928 -8.079 2.736 1.00 0.00 C ATOM 1146 CG1 ILE A 77 -1.859 -8.616 3.689 1.00 0.00 C ATOM 1147 CG2 ILE A 77 -3.990 -7.308 3.511 1.00 0.00 C ATOM 1148 CD1 ILE A 77 -1.021 -7.535 4.334 1.00 0.00 C ATOM 0 H ILE A 77 -1.681 -9.478 1.054 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.022 -9.939 2.638 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.456 -7.396 2.030 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.343 -9.203 4.470 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.204 -9.293 3.141 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.518 -6.497 4.066 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.720 -6.895 2.815 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -4.492 -7.980 4.207 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.285 -7.991 4.996 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.508 -6.962 3.561 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.665 -6.871 4.910 1.00 0.00 H new ATOM 1160 N VAL A 78 -4.187 -8.163 -0.136 1.00 0.00 N ATOM 1161 CA VAL A 78 -5.070 -7.583 -1.140 1.00 0.00 C ATOM 1162 C VAL A 78 -6.018 -8.636 -1.718 1.00 0.00 C ATOM 1163 O VAL A 78 -7.170 -8.346 -2.038 1.00 0.00 O ATOM 1164 CB VAL A 78 -4.233 -6.927 -2.263 1.00 0.00 C ATOM 1165 CG1 VAL A 78 -5.073 -6.599 -3.485 1.00 0.00 C ATOM 1166 CG2 VAL A 78 -3.559 -5.671 -1.738 1.00 0.00 C ATOM 0 H VAL A 78 -3.199 -8.136 -0.389 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.680 -6.818 -0.660 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.476 -7.647 -2.574 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.443 -6.140 -4.247 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.513 -7.515 -3.881 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.867 -5.907 -3.206 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.971 -5.214 -2.534 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.318 -4.967 -1.397 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.904 -5.930 -0.906 1.00 0.00 H new ATOM 1176 N SER A 79 -5.537 -9.864 -1.829 1.00 0.00 N ATOM 1177 CA SER A 79 -6.350 -10.951 -2.356 1.00 0.00 C ATOM 1178 C SER A 79 -7.027 -11.719 -1.219 1.00 0.00 C ATOM 1179 O SER A 79 -7.388 -12.889 -1.366 1.00 0.00 O ATOM 1180 CB SER A 79 -5.483 -11.892 -3.196 1.00 0.00 C ATOM 1181 OG SER A 79 -4.586 -11.157 -4.020 1.00 0.00 O ATOM 0 H SER A 79 -4.590 -10.134 -1.562 1.00 0.00 H new ATOM 0 HA SER A 79 -7.129 -10.528 -2.991 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.920 -12.556 -2.540 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.120 -12.522 -3.817 1.00 0.00 H new ATOM 0 HG SER A 79 -3.808 -10.881 -3.492 1.00 0.00 H new ATOM 1187 N GLN A 80 -7.207 -11.044 -0.091 1.00 0.00 N ATOM 1188 CA GLN A 80 -7.835 -11.646 1.073 1.00 0.00 C ATOM 1189 C GLN A 80 -9.091 -10.868 1.458 1.00 0.00 C ATOM 1190 O GLN A 80 -9.418 -9.853 0.841 1.00 0.00 O ATOM 1191 CB GLN A 80 -6.854 -11.671 2.250 1.00 0.00 C ATOM 1192 CG GLN A 80 -6.938 -12.934 3.090 1.00 0.00 C ATOM 1193 CD GLN A 80 -6.522 -14.179 2.329 1.00 0.00 C ATOM 1194 OE1 GLN A 80 -7.070 -15.259 2.543 1.00 0.00 O ATOM 1195 NE2 GLN A 80 -5.540 -14.042 1.451 1.00 0.00 N ATOM 0 H GLN A 80 -6.924 -10.073 0.040 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.117 -12.670 0.826 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -5.839 -11.567 1.867 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -7.044 -10.808 2.888 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -6.303 -12.823 3.969 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.960 -13.058 3.449 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -5.112 -13.128 1.303 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -5.212 -14.850 0.923 1.00 0.00 H new ATOM 1204 N THR A 81 -9.789 -11.348 2.472 1.00 0.00 N ATOM 1205 CA THR A 81 -11.003 -10.705 2.941 1.00 0.00 C ATOM 1206 C THR A 81 -10.785 -10.093 4.319 1.00 0.00 C ATOM 1207 O THR A 81 -10.318 -10.768 5.238 1.00 0.00 O ATOM 1208 CB THR A 81 -12.159 -11.715 3.008 1.00 0.00 C ATOM 1209 OG1 THR A 81 -11.683 -13.014 2.614 1.00 0.00 O ATOM 1210 CG2 THR A 81 -13.305 -11.290 2.102 1.00 0.00 C ATOM 0 H THR A 81 -9.533 -12.188 2.990 1.00 0.00 H new ATOM 0 HA THR A 81 -11.260 -9.916 2.235 1.00 0.00 H new ATOM 0 HB THR A 81 -12.529 -11.753 4.032 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.419 -13.659 2.658 1.00 0.00 H new ATOM 0 HG21 THR A 81 -14.111 -12.021 2.167 1.00 0.00 H new ATOM 0 HG22 THR A 81 -13.674 -10.314 2.416 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.952 -11.230 1.073 1.00 0.00 H new ATOM 1218 N GLY A 82 -11.113 -8.817 4.455 1.00 0.00 N ATOM 1219 CA GLY A 82 -10.948 -8.139 5.723 1.00 0.00 C ATOM 1220 C GLY A 82 -10.544 -6.692 5.542 1.00 0.00 C ATOM 1221 O GLY A 82 -10.036 -6.321 4.483 1.00 0.00 O ATOM 0 H GLY A 82 -11.492 -8.237 3.706 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.881 -8.188 6.285 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.192 -8.655 6.315 1.00 0.00 H new ATOM 1225 N PRO A 83 -10.774 -5.846 6.556 1.00 0.00 N ATOM 1226 CA PRO A 83 -10.422 -4.424 6.497 1.00 0.00 C ATOM 1227 C PRO A 83 -8.913 -4.217 6.390 1.00 0.00 C ATOM 1228 O PRO A 83 -8.144 -4.719 7.214 1.00 0.00 O ATOM 1229 CB PRO A 83 -10.960 -3.857 7.816 1.00 0.00 C ATOM 1230 CG PRO A 83 -11.086 -5.036 8.723 1.00 0.00 C ATOM 1231 CD PRO A 83 -11.400 -6.208 7.840 1.00 0.00 C ATOM 0 HA PRO A 83 -10.842 -3.933 5.619 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -10.282 -3.111 8.231 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.923 -3.366 7.671 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -10.162 -5.202 9.277 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -11.875 -4.880 9.458 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -10.988 -7.134 8.241 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -12.475 -6.356 7.735 1.00 0.00 H new ATOM 1239 N ILE A 84 -8.494 -3.487 5.367 1.00 0.00 N ATOM 1240 CA ILE A 84 -7.079 -3.228 5.147 1.00 0.00 C ATOM 1241 C ILE A 84 -6.690 -1.840 5.645 1.00 0.00 C ATOM 1242 O ILE A 84 -7.271 -0.833 5.239 1.00 0.00 O ATOM 1243 CB ILE A 84 -6.711 -3.367 3.651 1.00 0.00 C ATOM 1244 CG1 ILE A 84 -7.052 -4.774 3.156 1.00 0.00 C ATOM 1245 CG2 ILE A 84 -5.232 -3.068 3.428 1.00 0.00 C ATOM 1246 CD1 ILE A 84 -6.884 -4.954 1.662 1.00 0.00 C ATOM 0 H ILE A 84 -9.114 -3.064 4.676 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.523 -3.974 5.715 1.00 0.00 H new ATOM 0 HB ILE A 84 -7.293 -2.642 3.082 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.418 -5.494 3.673 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.082 -5.004 3.427 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.995 -3.172 2.369 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.014 -2.050 3.750 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.628 -3.768 4.005 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -7.144 -5.976 1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.538 -4.259 1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -5.848 -4.757 1.386 1.00 0.00 H new ATOM 1258 N SER A 85 -5.722 -1.806 6.546 1.00 0.00 N ATOM 1259 CA SER A 85 -5.229 -0.560 7.106 1.00 0.00 C ATOM 1260 C SER A 85 -3.912 -0.174 6.437 1.00 0.00 C ATOM 1261 O SER A 85 -2.953 -0.949 6.436 1.00 0.00 O ATOM 1262 CB SER A 85 -5.043 -0.712 8.615 1.00 0.00 C ATOM 1263 OG SER A 85 -5.976 -1.644 9.143 1.00 0.00 O ATOM 0 H SER A 85 -5.258 -2.639 6.908 1.00 0.00 H new ATOM 0 HA SER A 85 -5.954 0.233 6.922 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.027 -1.045 8.830 1.00 0.00 H new ATOM 0 HB3 SER A 85 -5.172 0.255 9.102 1.00 0.00 H new ATOM 0 HG SER A 85 -5.706 -2.553 8.895 1.00 0.00 H new ATOM 1269 N LEU A 86 -3.870 1.019 5.869 1.00 0.00 N ATOM 1270 CA LEU A 86 -2.681 1.493 5.178 1.00 0.00 C ATOM 1271 C LEU A 86 -1.985 2.607 5.951 1.00 0.00 C ATOM 1272 O LEU A 86 -2.568 3.663 6.194 1.00 0.00 O ATOM 1273 CB LEU A 86 -3.039 2.006 3.781 1.00 0.00 C ATOM 1274 CG LEU A 86 -3.566 0.956 2.801 1.00 0.00 C ATOM 1275 CD1 LEU A 86 -3.952 1.610 1.487 1.00 0.00 C ATOM 1276 CD2 LEU A 86 -2.530 -0.129 2.564 1.00 0.00 C ATOM 0 H LEU A 86 -4.647 1.679 5.872 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.000 0.646 5.098 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.790 2.789 3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.153 2.469 3.346 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.451 0.494 3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.325 0.852 0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.730 2.353 1.665 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -3.079 2.096 1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.927 -0.864 1.864 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.626 0.316 2.149 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.293 -0.618 3.509 1.00 0.00 H new ATOM 1288 N THR A 87 -0.743 2.359 6.341 1.00 0.00 N ATOM 1289 CA THR A 87 0.054 3.346 7.051 1.00 0.00 C ATOM 1290 C THR A 87 1.004 4.006 6.056 1.00 0.00 C ATOM 1291 O THR A 87 2.076 3.471 5.753 1.00 0.00 O ATOM 1292 CB THR A 87 0.850 2.693 8.198 1.00 0.00 C ATOM 1293 OG1 THR A 87 0.067 1.645 8.792 1.00 0.00 O ATOM 1294 CG2 THR A 87 1.219 3.716 9.263 1.00 0.00 C ATOM 0 H THR A 87 -0.263 1.474 6.175 1.00 0.00 H new ATOM 0 HA THR A 87 -0.605 4.093 7.493 1.00 0.00 H new ATOM 0 HB THR A 87 1.770 2.281 7.783 1.00 0.00 H new ATOM 0 HG1 THR A 87 0.161 0.826 8.262 1.00 0.00 H new ATOM 0 HG21 THR A 87 1.780 3.226 10.059 1.00 0.00 H new ATOM 0 HG22 THR A 87 1.831 4.500 8.818 1.00 0.00 H new ATOM 0 HG23 THR A 87 0.311 4.155 9.676 1.00 0.00 H new ATOM 1302 N VAL A 88 0.594 5.150 5.521 1.00 0.00 N ATOM 1303 CA VAL A 88 1.390 5.858 4.523 1.00 0.00 C ATOM 1304 C VAL A 88 2.246 6.962 5.135 1.00 0.00 C ATOM 1305 O VAL A 88 1.850 7.611 6.100 1.00 0.00 O ATOM 1306 CB VAL A 88 0.505 6.473 3.415 1.00 0.00 C ATOM 1307 CG1 VAL A 88 -0.086 5.381 2.538 1.00 0.00 C ATOM 1308 CG2 VAL A 88 -0.597 7.339 4.014 1.00 0.00 C ATOM 0 H VAL A 88 -0.285 5.608 5.761 1.00 0.00 H new ATOM 0 HA VAL A 88 2.048 5.106 4.088 1.00 0.00 H new ATOM 0 HB VAL A 88 1.133 7.112 2.794 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.706 5.832 1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.719 4.812 2.073 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.695 4.714 3.148 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.205 7.760 3.213 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.225 6.730 4.665 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.150 8.147 4.593 1.00 0.00 H new ATOM 1318 N ALA A 89 3.420 7.157 4.556 1.00 0.00 N ATOM 1319 CA ALA A 89 4.346 8.180 4.999 1.00 0.00 C ATOM 1320 C ALA A 89 4.400 9.306 3.979 1.00 0.00 C ATOM 1321 O ALA A 89 4.800 9.098 2.829 1.00 0.00 O ATOM 1322 CB ALA A 89 5.729 7.585 5.205 1.00 0.00 C ATOM 0 H ALA A 89 3.756 6.608 3.765 1.00 0.00 H new ATOM 0 HA ALA A 89 3.999 8.584 5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.415 8.364 5.538 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.679 6.800 5.959 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.087 7.163 4.266 1.00 0.00 H new ATOM 1328 N LYS A 90 3.973 10.480 4.395 1.00 0.00 N ATOM 1329 CA LYS A 90 3.966 11.646 3.531 1.00 0.00 C ATOM 1330 C LYS A 90 5.047 12.620 3.973 1.00 0.00 C ATOM 1331 O LYS A 90 4.779 13.440 4.878 1.00 0.00 O ATOM 1332 CB LYS A 90 2.597 12.325 3.568 1.00 0.00 C ATOM 1333 CG LYS A 90 1.432 11.362 3.395 1.00 0.00 C ATOM 1334 CD LYS A 90 0.092 12.066 3.536 1.00 0.00 C ATOM 1335 CE LYS A 90 -0.206 12.952 2.337 1.00 0.00 C ATOM 1336 NZ LYS A 90 -0.737 12.177 1.185 1.00 0.00 N ATOM 1337 OXT LYS A 90 6.170 12.545 3.434 1.00 0.00 O ATOM 0 H LYS A 90 3.622 10.654 5.337 1.00 0.00 H new ATOM 0 HA LYS A 90 4.168 11.330 2.508 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.486 12.848 4.518 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.554 13.079 2.782 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.493 10.890 2.414 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.505 10.567 4.137 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.699 11.324 3.646 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.092 12.670 4.444 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.929 13.716 2.623 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.704 13.471 2.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.910 12.819 0.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.045 11.453 0.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.629 11.716 1.458 1.00 0.00 H new TER 1351 LYS A 90 HETATM 1352 C20 SUZ A 91 3.174 -4.088 -8.679 1.00 20.00 C HETATM 1353 C19 SUZ A 91 2.193 -3.105 -8.720 1.00 20.00 C HETATM 1354 C5 SUZ A 91 1.093 -3.222 -9.632 1.00 20.00 C HETATM 1355 C6 SUZ A 91 -0.194 -2.476 -9.334 1.00 20.00 C HETATM 1356 C7 SUZ A 91 -1.022 -2.768 -8.154 1.00 20.00 C HETATM 1357 C18 SUZ A 91 -0.647 -3.826 -7.078 1.00 20.00 C HETATM 1358 C17 SUZ A 91 0.365 -4.799 -6.914 1.00 20.00 C HETATM 1359 C16 SUZ A 91 0.368 -5.565 -5.802 1.00 20.00 C HETATM 1360 C15 SUZ A 91 -0.608 -5.409 -4.815 1.00 20.00 C HETATM 1361 F SUZ A 91 -0.569 -6.186 -3.724 1.00 20.00 F HETATM 1362 C14 SUZ A 91 -1.611 -4.458 -4.953 1.00 20.00 C HETATM 1363 C13 SUZ A 91 -1.622 -3.681 -6.078 1.00 20.00 C HETATM 1364 C10 SUZ A 91 -2.570 -2.570 -6.521 1.00 20.00 C HETATM 1365 C11 SUZ A 91 -3.681 -2.092 -5.541 1.00 20.00 C HETATM 1366 C12 SUZ A 91 -5.073 -2.289 -6.113 1.00 20.00 C HETATM 1367 O3 SUZ A 91 -5.397 -1.652 -7.224 1.00 20.00 O HETATM 1368 O2 SUZ A 91 -5.912 -3.015 -5.559 1.00 20.00 O HETATM 1369 C8 SUZ A 91 -2.247 -2.037 -7.721 1.00 20.00 C HETATM 1370 C9 SUZ A 91 -2.972 -0.960 -8.432 1.00 20.00 C HETATM 1371 C4 SUZ A 91 1.024 -4.320 -10.471 1.00 20.00 C HETATM 1372 C3 SUZ A 91 2.030 -5.328 -10.429 1.00 20.00 C HETATM 1373 C2 SUZ A 91 3.094 -5.212 -9.546 1.00 20.00 C HETATM 1374 S SUZ A 91 4.342 -6.416 -9.455 1.00 20.00 S HETATM 1375 O1 SUZ A 91 4.143 -7.345 -8.377 1.00 20.00 O HETATM 1376 C1 SUZ A 91 5.763 -5.436 -9.089 1.00 20.00 C HETATM 0 H11A SUZ A 91 -3.595 -2.639 -4.602 1.00 20.00 H new HETATM 0 H9B SUZ A 91 -2.304 -0.112 -8.586 1.00 20.00 H new HETATM 0 H9A SUZ A 91 -3.318 -1.330 -9.397 1.00 20.00 H new HETATM 0 H9 SUZ A 91 -3.829 -0.644 -7.837 1.00 20.00 H new HETATM 0 H6 SUZ A 91 -0.517 -1.694 -10.021 1.00 20.00 H new HETATM 0 H4 SUZ A 91 0.193 -4.415 -11.170 1.00 20.00 H new HETATM 0 H3 SUZ A 91 1.964 -6.191 -11.091 1.00 20.00 H new HETATM 0 H20 SUZ A 91 4.006 -3.997 -7.981 1.00 20.00 H new HETATM 0 H1B SUZ A 91 6.664 -5.992 -9.347 1.00 20.00 H new HETATM 0 H1A SUZ A 91 5.727 -4.513 -9.668 1.00 20.00 H new HETATM 0 H19 SUZ A 91 2.260 -2.242 -8.057 1.00 20.00 H new HETATM 0 H17 SUZ A 91 1.134 -4.929 -7.676 1.00 20.00 H new HETATM 0 H16 SUZ A 91 1.145 -6.318 -5.672 1.00 20.00 H new HETATM 0 H14 SUZ A 91 -2.372 -4.334 -4.182 1.00 20.00 H new HETATM 0 H11 SUZ A 91 -3.531 -1.037 -5.310 1.00 20.00 H new HETATM 0 H1 SUZ A 91 5.776 -5.197 -8.026 1.00 20.00 H new