USER MOD reduce.3.24.130724 H: found=0, std=0, add=736, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 738 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 59 ASN :FLIP amide:sc= 0.229 F(o=-0.61,f=0.77) USER MOD Set 1.2: A 60 SER OG : rot -71:sc= 0.543 USER MOD Single : A 4 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0222) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.00057) USER MOD Single : A 9 HIS : no HE2:sc= 0.94 K(o=0.94,f=-4.5!) USER MOD Single : A 11 THR OG1 : rot -40:sc= 1.16 USER MOD Single : A 12 GLN : amide:sc= -0.0101 K(o=-0.01,f=-1.5!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 166:sc=-0.00789 (180deg=-0.148) USER MOD Single : A 24 GLN : amide:sc= -0.0815 X(o=-0.081,f=-0.56) USER MOD Single : A 29 THR OG1 : rot 28:sc= 0.312 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -150:sc= 0 (180deg=-1.32) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 TYR OH : rot -15:sc= -2.09! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 140:sc= -0.559 (180deg=-2.07!) USER MOD Single : A 54 MET CE :methyl -149:sc= -0.0947 (180deg=-0.499) USER MOD Single : A 55 TYR OH : rot 98:sc= 1.19 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -1.62 K(o=-1.6,f=-3!) USER MOD Single : A 71 LYS NZ :NH3+ 155:sc= -0.0637 (180deg=-0.444) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN :FLIP amide:sc= 0 F(o=-2.3!,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 164:sc= 0.0142 (180deg=-0.133) USER MOD Single : B 96 SER OG : rot 180:sc= 0 USER MOD Single : B 102 SER OG : rot -120:sc= -0.178 USER MOD Single : B 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 50 N LYS A 4 -18.912 -23.447 -9.983 1.00 0.00 N ATOM 51 CA LYS A 4 -18.077 -22.270 -9.863 1.00 0.00 C ATOM 52 C LYS A 4 -16.615 -22.585 -10.183 1.00 0.00 C ATOM 53 O LYS A 4 -15.757 -21.718 -10.026 1.00 0.00 O ATOM 54 CB LYS A 4 -18.184 -21.710 -8.438 1.00 0.00 C ATOM 55 CG LYS A 4 -19.250 -20.640 -8.272 1.00 0.00 C ATOM 56 CD LYS A 4 -18.755 -19.495 -7.402 1.00 0.00 C ATOM 57 CE LYS A 4 -19.153 -19.675 -5.946 1.00 0.00 C ATOM 58 NZ LYS A 4 -20.598 -19.390 -5.725 1.00 0.00 N ATOM 0 HA LYS A 4 -18.427 -21.530 -10.583 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -18.397 -22.530 -7.752 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -17.219 -21.294 -8.149 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -19.539 -20.257 -9.251 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -20.142 -21.079 -7.826 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -17.670 -19.426 -7.476 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -19.160 -18.554 -7.775 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -18.932 -20.696 -5.633 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -18.553 -19.013 -5.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.793 -19.358 -4.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -20.841 -18.474 -6.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -21.171 -20.139 -6.163 1.00 0.00 H new ATOM 72 N GLY A 5 -16.311 -23.825 -10.611 1.00 0.00 N ATOM 73 CA GLY A 5 -14.922 -24.182 -10.900 1.00 0.00 C ATOM 74 C GLY A 5 -13.996 -23.442 -9.964 1.00 0.00 C ATOM 75 O GLY A 5 -13.008 -22.835 -10.379 1.00 0.00 O ATOM 0 H GLY A 5 -16.990 -24.572 -10.759 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -14.783 -25.257 -10.788 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -14.681 -23.935 -11.934 1.00 0.00 H new ATOM 79 N TRP A 6 -14.394 -23.429 -8.699 1.00 0.00 N ATOM 80 CA TRP A 6 -13.692 -22.692 -7.667 1.00 0.00 C ATOM 81 C TRP A 6 -12.453 -23.390 -7.118 1.00 0.00 C ATOM 82 O TRP A 6 -11.349 -22.875 -7.231 1.00 0.00 O ATOM 83 CB TRP A 6 -14.669 -22.441 -6.519 1.00 0.00 C ATOM 84 CG TRP A 6 -14.765 -21.010 -6.138 1.00 0.00 C ATOM 85 CD1 TRP A 6 -15.897 -20.269 -5.979 1.00 0.00 C ATOM 86 CD2 TRP A 6 -13.672 -20.147 -5.874 1.00 0.00 C ATOM 87 NE1 TRP A 6 -15.563 -18.984 -5.632 1.00 0.00 N ATOM 88 CE2 TRP A 6 -14.198 -18.888 -5.561 1.00 0.00 C ATOM 89 CE3 TRP A 6 -12.293 -20.325 -5.872 1.00 0.00 C ATOM 90 CZ2 TRP A 6 -13.388 -17.809 -5.252 1.00 0.00 C ATOM 91 CZ3 TRP A 6 -11.485 -19.263 -5.565 1.00 0.00 C ATOM 92 CH2 TRP A 6 -12.031 -18.009 -5.256 1.00 0.00 C ATOM 0 H TRP A 6 -15.215 -23.932 -8.363 1.00 0.00 H new ATOM 0 HA TRP A 6 -13.335 -21.770 -8.126 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -15.657 -22.802 -6.805 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -14.357 -23.022 -5.651 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -16.904 -20.637 -6.107 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -16.222 -18.226 -5.456 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -11.865 -21.288 -6.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -13.810 -16.843 -5.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -10.413 -19.393 -5.561 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -11.372 -17.187 -5.017 1.00 0.00 H new ATOM 103 N HIS A 7 -12.645 -24.526 -6.482 1.00 0.00 N ATOM 104 CA HIS A 7 -11.535 -25.244 -5.859 1.00 0.00 C ATOM 105 C HIS A 7 -10.637 -25.958 -6.864 1.00 0.00 C ATOM 106 O HIS A 7 -9.570 -26.455 -6.506 1.00 0.00 O ATOM 107 CB HIS A 7 -12.081 -26.264 -4.872 1.00 0.00 C ATOM 108 CG HIS A 7 -12.892 -25.661 -3.768 1.00 0.00 C ATOM 109 ND1 HIS A 7 -12.434 -24.632 -2.971 1.00 0.00 N ATOM 110 CD2 HIS A 7 -14.142 -25.946 -3.329 1.00 0.00 C ATOM 111 CE1 HIS A 7 -13.365 -24.313 -2.090 1.00 0.00 C ATOM 112 NE2 HIS A 7 -14.411 -25.095 -2.286 1.00 0.00 N ATOM 0 H HIS A 7 -13.554 -24.978 -6.379 1.00 0.00 H new ATOM 0 HA HIS A 7 -10.923 -24.496 -5.355 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -12.697 -26.984 -5.411 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -11.249 -26.818 -4.438 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -14.803 -26.702 -3.726 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -13.284 -23.543 -1.337 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -15.278 -25.071 -1.749 1.00 0.00 H new ATOM 121 N GLU A 8 -11.092 -26.052 -8.098 1.00 0.00 N ATOM 122 CA GLU A 8 -10.348 -26.762 -9.139 1.00 0.00 C ATOM 123 C GLU A 8 -8.848 -26.456 -9.120 1.00 0.00 C ATOM 124 O GLU A 8 -8.035 -27.381 -9.099 1.00 0.00 O ATOM 125 CB GLU A 8 -10.906 -26.421 -10.521 1.00 0.00 C ATOM 126 CG GLU A 8 -11.344 -24.973 -10.677 1.00 0.00 C ATOM 127 CD GLU A 8 -10.514 -24.217 -11.696 1.00 0.00 C ATOM 128 OE1 GLU A 8 -10.002 -24.859 -12.638 1.00 0.00 O ATOM 129 OE2 GLU A 8 -10.374 -22.985 -11.551 1.00 0.00 O ATOM 0 H GLU A 8 -11.974 -25.647 -8.412 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.472 -27.824 -8.928 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.147 -26.642 -11.271 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -11.757 -27.070 -10.727 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.392 -24.945 -10.975 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.274 -24.470 -9.712 1.00 0.00 H new ATOM 136 N HIS A 9 -8.466 -25.182 -9.146 1.00 0.00 N ATOM 137 CA HIS A 9 -7.039 -24.845 -9.151 1.00 0.00 C ATOM 138 C HIS A 9 -6.690 -23.674 -8.233 1.00 0.00 C ATOM 139 O HIS A 9 -5.792 -22.889 -8.536 1.00 0.00 O ATOM 140 CB HIS A 9 -6.575 -24.551 -10.580 1.00 0.00 C ATOM 141 CG HIS A 9 -5.846 -25.693 -11.217 1.00 0.00 C ATOM 142 ND1 HIS A 9 -5.968 -26.998 -10.786 1.00 0.00 N ATOM 143 CD2 HIS A 9 -4.981 -25.722 -12.259 1.00 0.00 C ATOM 144 CE1 HIS A 9 -5.210 -27.779 -11.536 1.00 0.00 C ATOM 145 NE2 HIS A 9 -4.602 -27.030 -12.436 1.00 0.00 N ATOM 0 H HIS A 9 -9.101 -24.384 -9.164 1.00 0.00 H new ATOM 0 HA HIS A 9 -6.512 -25.714 -8.758 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -7.442 -24.298 -11.190 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.925 -23.676 -10.570 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -6.552 -27.311 -10.010 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -4.651 -24.875 -12.842 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -5.106 -28.849 -11.430 1.00 0.00 H new ATOM 154 N VAL A 10 -7.360 -23.584 -7.095 1.00 0.00 N ATOM 155 CA VAL A 10 -7.065 -22.531 -6.124 1.00 0.00 C ATOM 156 C VAL A 10 -6.589 -23.166 -4.832 1.00 0.00 C ATOM 157 O VAL A 10 -5.516 -22.845 -4.325 1.00 0.00 O ATOM 158 CB VAL A 10 -8.276 -21.621 -5.833 1.00 0.00 C ATOM 159 CG1 VAL A 10 -7.810 -20.245 -5.388 1.00 0.00 C ATOM 160 CG2 VAL A 10 -9.166 -21.516 -7.057 1.00 0.00 C ATOM 0 H VAL A 10 -8.107 -24.220 -6.818 1.00 0.00 H new ATOM 0 HA VAL A 10 -6.290 -21.899 -6.558 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.857 -22.064 -5.024 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -8.676 -19.615 -5.187 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.211 -20.339 -4.482 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.208 -19.793 -6.176 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -10.016 -20.870 -6.835 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.597 -21.094 -7.886 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.526 -22.508 -7.331 1.00 0.00 H new ATOM 170 N THR A 11 -7.386 -24.096 -4.325 1.00 0.00 N ATOM 171 CA THR A 11 -7.046 -24.820 -3.107 1.00 0.00 C ATOM 172 C THR A 11 -6.658 -23.867 -1.975 1.00 0.00 C ATOM 173 O THR A 11 -6.583 -22.653 -2.165 1.00 0.00 O ATOM 174 CB THR A 11 -5.900 -25.798 -3.393 1.00 0.00 C ATOM 175 OG1 THR A 11 -4.648 -25.143 -3.306 1.00 0.00 O ATOM 176 CG2 THR A 11 -5.987 -26.444 -4.765 1.00 0.00 C ATOM 0 H THR A 11 -8.277 -24.368 -4.740 1.00 0.00 H new ATOM 0 HA THR A 11 -7.927 -25.373 -2.783 1.00 0.00 H new ATOM 0 HB THR A 11 -5.992 -26.577 -2.637 1.00 0.00 H new ATOM 0 HG1 THR A 11 -4.717 -24.251 -3.706 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.146 -27.124 -4.901 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.920 -27.001 -4.846 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.957 -25.672 -5.533 1.00 0.00 H new ATOM 184 N GLN A 12 -6.418 -24.429 -0.794 1.00 0.00 N ATOM 185 CA GLN A 12 -6.042 -23.635 0.370 1.00 0.00 C ATOM 186 C GLN A 12 -4.595 -23.158 0.271 1.00 0.00 C ATOM 187 O GLN A 12 -4.283 -22.016 0.610 1.00 0.00 O ATOM 188 CB GLN A 12 -6.235 -24.449 1.651 1.00 0.00 C ATOM 189 CG GLN A 12 -5.328 -25.666 1.740 1.00 0.00 C ATOM 190 CD GLN A 12 -5.750 -26.627 2.835 1.00 0.00 C ATOM 191 OE1 GLN A 12 -6.846 -26.520 3.383 1.00 0.00 O ATOM 192 NE2 GLN A 12 -4.877 -27.574 3.159 1.00 0.00 N ATOM 0 H GLN A 12 -6.477 -25.432 -0.618 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.689 -22.758 0.400 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -6.052 -23.806 2.512 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.273 -24.775 1.712 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -5.330 -26.187 0.783 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -4.304 -25.339 1.923 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.979 -27.626 2.678 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -5.105 -28.250 3.889 1.00 0.00 H new ATOM 201 N ASP A 13 -3.713 -24.042 -0.185 1.00 0.00 N ATOM 202 CA ASP A 13 -2.296 -23.717 -0.316 1.00 0.00 C ATOM 203 C ASP A 13 -2.081 -22.508 -1.222 1.00 0.00 C ATOM 204 O ASP A 13 -1.467 -21.521 -0.817 1.00 0.00 O ATOM 205 CB ASP A 13 -1.526 -24.920 -0.862 1.00 0.00 C ATOM 206 CG ASP A 13 -0.033 -24.812 -0.616 1.00 0.00 C ATOM 207 OD1 ASP A 13 0.355 -24.344 0.474 1.00 0.00 O ATOM 208 OD2 ASP A 13 0.746 -25.196 -1.514 1.00 0.00 O ATOM 0 H ASP A 13 -3.955 -24.991 -0.471 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.920 -23.467 0.676 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.903 -25.831 -0.397 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.709 -25.010 -1.933 1.00 0.00 H new ATOM 213 N LEU A 14 -2.585 -22.589 -2.450 1.00 0.00 N ATOM 214 CA LEU A 14 -2.437 -21.496 -3.404 1.00 0.00 C ATOM 215 C LEU A 14 -3.104 -20.227 -2.882 1.00 0.00 C ATOM 216 O LEU A 14 -2.637 -19.118 -3.137 1.00 0.00 O ATOM 217 CB LEU A 14 -3.032 -21.884 -4.760 1.00 0.00 C ATOM 218 CG LEU A 14 -2.141 -21.586 -5.966 1.00 0.00 C ATOM 219 CD1 LEU A 14 -1.222 -22.763 -6.254 1.00 0.00 C ATOM 220 CD2 LEU A 14 -2.989 -21.259 -7.186 1.00 0.00 C ATOM 0 H LEU A 14 -3.097 -23.396 -2.806 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.372 -21.299 -3.531 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.258 -22.950 -4.749 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.979 -21.359 -4.888 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.524 -20.718 -5.733 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.595 -22.533 -7.116 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.590 -22.952 -5.386 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.821 -23.649 -6.467 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.339 -21.049 -8.035 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.631 -22.108 -7.421 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.606 -20.385 -6.977 1.00 0.00 H new ATOM 232 N ARG A 15 -4.196 -20.400 -2.144 1.00 0.00 N ATOM 233 CA ARG A 15 -4.923 -19.269 -1.582 1.00 0.00 C ATOM 234 C ARG A 15 -4.028 -18.467 -0.643 1.00 0.00 C ATOM 235 O ARG A 15 -4.164 -17.249 -0.529 1.00 0.00 O ATOM 236 CB ARG A 15 -6.164 -19.754 -0.831 1.00 0.00 C ATOM 237 CG ARG A 15 -6.998 -18.629 -0.241 1.00 0.00 C ATOM 238 CD ARG A 15 -7.848 -19.116 0.922 1.00 0.00 C ATOM 239 NE ARG A 15 -8.762 -20.183 0.522 1.00 0.00 N ATOM 240 CZ ARG A 15 -9.434 -20.944 1.383 1.00 0.00 C ATOM 241 NH1 ARG A 15 -9.295 -20.760 2.691 1.00 0.00 N ATOM 242 NH2 ARG A 15 -10.247 -21.892 0.936 1.00 0.00 N ATOM 0 H ARG A 15 -4.596 -21.312 -1.922 1.00 0.00 H new ATOM 0 HA ARG A 15 -5.235 -18.623 -2.403 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.785 -20.337 -1.511 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.854 -20.424 -0.029 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.342 -17.827 0.097 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.642 -18.209 -1.013 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.199 -19.475 1.720 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.420 -18.281 1.328 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.893 -20.355 -0.475 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.671 -20.033 3.040 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.812 -21.346 3.346 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -10.357 -22.038 -0.067 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.762 -22.475 1.596 1.00 0.00 H new ATOM 256 N SER A 16 -3.111 -19.161 0.023 1.00 0.00 N ATOM 257 CA SER A 16 -2.188 -18.516 0.950 1.00 0.00 C ATOM 258 C SER A 16 -1.151 -17.691 0.195 1.00 0.00 C ATOM 259 O SER A 16 -0.760 -16.611 0.638 1.00 0.00 O ATOM 260 CB SER A 16 -1.492 -19.567 1.818 1.00 0.00 C ATOM 261 OG SER A 16 -2.120 -19.680 3.084 1.00 0.00 O ATOM 0 H SER A 16 -2.987 -20.170 -0.062 1.00 0.00 H new ATOM 0 HA SER A 16 -2.760 -17.846 1.592 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.511 -20.532 1.312 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.444 -19.298 1.951 1.00 0.00 H new ATOM 0 HG SER A 16 -1.658 -20.359 3.619 1.00 0.00 H new ATOM 267 N HIS A 17 -0.710 -18.206 -0.948 1.00 0.00 N ATOM 268 CA HIS A 17 0.280 -17.516 -1.766 1.00 0.00 C ATOM 269 C HIS A 17 -0.287 -16.209 -2.311 1.00 0.00 C ATOM 270 O HIS A 17 0.420 -15.206 -2.407 1.00 0.00 O ATOM 271 CB HIS A 17 0.732 -18.411 -2.921 1.00 0.00 C ATOM 272 CG HIS A 17 1.922 -19.258 -2.592 1.00 0.00 C ATOM 273 ND1 HIS A 17 1.890 -20.271 -1.658 1.00 0.00 N ATOM 274 CD2 HIS A 17 3.186 -19.238 -3.078 1.00 0.00 C ATOM 275 CE1 HIS A 17 3.080 -20.838 -1.584 1.00 0.00 C ATOM 276 NE2 HIS A 17 3.884 -20.230 -2.436 1.00 0.00 N ATOM 0 H HIS A 17 -1.023 -19.099 -1.329 1.00 0.00 H new ATOM 0 HA HIS A 17 1.141 -17.286 -1.138 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.095 -19.058 -3.213 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.968 -17.787 -3.783 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.573 -18.567 -3.830 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.350 -21.659 -0.937 1.00 0.00 H new ATOM 0 HE2 HIS A 17 4.865 -20.460 -2.592 1.00 0.00 H new ATOM 285 N LEU A 18 -1.568 -16.229 -2.665 1.00 0.00 N ATOM 286 CA LEU A 18 -2.233 -15.046 -3.198 1.00 0.00 C ATOM 287 C LEU A 18 -2.408 -13.988 -2.113 1.00 0.00 C ATOM 288 O LEU A 18 -2.379 -12.790 -2.390 1.00 0.00 O ATOM 289 CB LEU A 18 -3.594 -15.421 -3.787 1.00 0.00 C ATOM 290 CG LEU A 18 -3.536 -16.266 -5.061 1.00 0.00 C ATOM 291 CD1 LEU A 18 -4.735 -17.198 -5.137 1.00 0.00 C ATOM 292 CD2 LEU A 18 -3.476 -15.371 -6.290 1.00 0.00 C ATOM 0 H LEU A 18 -2.166 -17.052 -2.592 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.607 -14.631 -3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.162 -15.966 -3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.145 -14.505 -4.001 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.631 -16.873 -5.032 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.677 -17.791 -6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.736 -17.861 -4.272 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.653 -16.610 -5.144 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.435 -15.988 -7.188 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.364 -14.739 -6.324 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.586 -14.744 -6.240 1.00 0.00 H new ATOM 304 N VAL A 19 -2.587 -14.442 -0.876 1.00 0.00 N ATOM 305 CA VAL A 19 -2.764 -13.536 0.251 1.00 0.00 C ATOM 306 C VAL A 19 -1.515 -12.688 0.474 1.00 0.00 C ATOM 307 O VAL A 19 -1.598 -11.555 0.947 1.00 0.00 O ATOM 308 CB VAL A 19 -3.090 -14.307 1.546 1.00 0.00 C ATOM 309 CG1 VAL A 19 -3.366 -13.343 2.691 1.00 0.00 C ATOM 310 CG2 VAL A 19 -4.271 -15.243 1.329 1.00 0.00 C ATOM 0 H VAL A 19 -2.613 -15.432 -0.630 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.603 -12.884 0.007 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.223 -14.910 1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.594 -13.908 3.595 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.487 -12.721 2.863 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.215 -12.709 2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.486 -15.778 2.254 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -5.145 -14.663 1.034 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.028 -15.959 0.544 1.00 0.00 H new ATOM 320 N HIS A 20 -0.359 -13.244 0.127 1.00 0.00 N ATOM 321 CA HIS A 20 0.908 -12.539 0.286 1.00 0.00 C ATOM 322 C HIS A 20 1.010 -11.379 -0.699 1.00 0.00 C ATOM 323 O HIS A 20 1.625 -10.353 -0.404 1.00 0.00 O ATOM 324 CB HIS A 20 2.080 -13.500 0.084 1.00 0.00 C ATOM 325 CG HIS A 20 2.554 -14.140 1.352 1.00 0.00 C ATOM 326 ND1 HIS A 20 2.252 -15.440 1.698 1.00 0.00 N ATOM 327 CD2 HIS A 20 3.314 -13.651 2.361 1.00 0.00 C ATOM 328 CE1 HIS A 20 2.804 -15.723 2.865 1.00 0.00 C ATOM 329 NE2 HIS A 20 3.455 -14.655 3.287 1.00 0.00 N ATOM 0 H HIS A 20 -0.273 -14.181 -0.266 1.00 0.00 H new ATOM 0 HA HIS A 20 0.948 -12.138 1.299 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.783 -14.279 -0.618 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.909 -12.959 -0.372 1.00 0.00 H new ATOM 0 HD2 HIS A 20 3.731 -12.657 2.425 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.734 -16.667 3.385 1.00 0.00 H new ATOM 0 HE2 HIS A 20 3.978 -14.587 4.160 1.00 0.00 H new ATOM 338 N LYS A 21 0.404 -11.547 -1.870 1.00 0.00 N ATOM 339 CA LYS A 21 0.426 -10.512 -2.897 1.00 0.00 C ATOM 340 C LYS A 21 -0.201 -9.221 -2.379 1.00 0.00 C ATOM 341 O LYS A 21 0.328 -8.132 -2.596 1.00 0.00 O ATOM 342 CB LYS A 21 -0.316 -10.989 -4.147 1.00 0.00 C ATOM 343 CG LYS A 21 0.588 -11.657 -5.171 1.00 0.00 C ATOM 344 CD LYS A 21 -0.141 -12.763 -5.918 1.00 0.00 C ATOM 345 CE LYS A 21 -1.087 -12.199 -6.963 1.00 0.00 C ATOM 346 NZ LYS A 21 -0.353 -11.622 -8.125 1.00 0.00 N ATOM 0 H LYS A 21 -0.108 -12.390 -2.131 1.00 0.00 H new ATOM 0 HA LYS A 21 1.466 -10.312 -3.156 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.097 -11.690 -3.851 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.812 -10.137 -4.613 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.948 -10.913 -5.881 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.464 -12.070 -4.671 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.585 -13.418 -6.399 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.701 -13.373 -5.210 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.755 -12.987 -7.311 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.711 -11.429 -6.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -1.016 -11.466 -8.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.077 -10.716 -7.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.393 -12.281 -8.427 1.00 0.00 H new ATOM 360 N LEU A 22 -1.331 -9.354 -1.690 1.00 0.00 N ATOM 361 CA LEU A 22 -2.027 -8.199 -1.136 1.00 0.00 C ATOM 362 C LEU A 22 -1.137 -7.454 -0.146 1.00 0.00 C ATOM 363 O LEU A 22 -1.223 -6.235 -0.012 1.00 0.00 O ATOM 364 CB LEU A 22 -3.323 -8.641 -0.449 1.00 0.00 C ATOM 365 CG LEU A 22 -4.603 -8.372 -1.246 1.00 0.00 C ATOM 366 CD1 LEU A 22 -5.506 -9.596 -1.241 1.00 0.00 C ATOM 367 CD2 LEU A 22 -5.337 -7.163 -0.683 1.00 0.00 C ATOM 0 H LEU A 22 -1.783 -10.249 -1.503 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.272 -7.523 -1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.260 -9.709 -0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.398 -8.133 0.512 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.326 -8.157 -2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.410 -9.384 -1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.981 -10.438 -1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.776 -9.845 -0.215 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.244 -6.986 -1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.601 -7.350 0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.692 -6.286 -0.742 1.00 0.00 H new ATOM 379 N VAL A 23 -0.279 -8.200 0.543 1.00 0.00 N ATOM 380 CA VAL A 23 0.631 -7.616 1.519 1.00 0.00 C ATOM 381 C VAL A 23 1.810 -6.935 0.831 1.00 0.00 C ATOM 382 O VAL A 23 2.354 -5.954 1.337 1.00 0.00 O ATOM 383 CB VAL A 23 1.165 -8.679 2.497 1.00 0.00 C ATOM 384 CG1 VAL A 23 1.975 -8.029 3.608 1.00 0.00 C ATOM 385 CG2 VAL A 23 0.018 -9.497 3.073 1.00 0.00 C ATOM 0 H VAL A 23 -0.196 -9.212 0.442 1.00 0.00 H new ATOM 0 HA VAL A 23 0.061 -6.874 2.078 1.00 0.00 H new ATOM 0 HB VAL A 23 1.823 -9.352 1.947 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.343 -8.798 4.288 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.820 -7.492 3.176 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.344 -7.331 4.158 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.413 -10.243 3.762 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.667 -8.838 3.606 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.515 -9.996 2.264 1.00 0.00 H new ATOM 395 N GLN A 24 2.199 -7.464 -0.324 1.00 0.00 N ATOM 396 CA GLN A 24 3.314 -6.907 -1.082 1.00 0.00 C ATOM 397 C GLN A 24 2.923 -5.584 -1.733 1.00 0.00 C ATOM 398 O GLN A 24 3.744 -4.675 -1.853 1.00 0.00 O ATOM 399 CB GLN A 24 3.775 -7.898 -2.153 1.00 0.00 C ATOM 400 CG GLN A 24 4.970 -7.412 -2.957 1.00 0.00 C ATOM 401 CD GLN A 24 5.013 -8.005 -4.352 1.00 0.00 C ATOM 402 OE1 GLN A 24 3.990 -8.100 -5.031 1.00 0.00 O ATOM 403 NE2 GLN A 24 6.202 -8.407 -4.787 1.00 0.00 N ATOM 0 H GLN A 24 1.759 -8.277 -0.756 1.00 0.00 H new ATOM 0 HA GLN A 24 4.135 -6.722 -0.389 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.029 -8.844 -1.675 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.947 -8.097 -2.833 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.937 -6.325 -3.029 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.888 -7.669 -2.428 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.023 -8.309 -4.190 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.294 -8.814 -5.718 1.00 0.00 H new ATOM 412 N ALA A 25 1.665 -5.483 -2.149 1.00 0.00 N ATOM 413 CA ALA A 25 1.165 -4.271 -2.787 1.00 0.00 C ATOM 414 C ALA A 25 1.334 -3.060 -1.875 1.00 0.00 C ATOM 415 O ALA A 25 1.818 -2.011 -2.303 1.00 0.00 O ATOM 416 CB ALA A 25 -0.296 -4.443 -3.174 1.00 0.00 C ATOM 0 H ALA A 25 0.973 -6.226 -2.056 1.00 0.00 H new ATOM 0 HA ALA A 25 1.751 -4.097 -3.690 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.656 -3.531 -3.649 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.392 -5.277 -3.869 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.888 -4.645 -2.281 1.00 0.00 H new ATOM 422 N ILE A 26 0.934 -3.213 -0.618 1.00 0.00 N ATOM 423 CA ILE A 26 1.043 -2.132 0.355 1.00 0.00 C ATOM 424 C ILE A 26 2.498 -1.891 0.744 1.00 0.00 C ATOM 425 O ILE A 26 2.888 -0.769 1.067 1.00 0.00 O ATOM 426 CB ILE A 26 0.224 -2.432 1.624 1.00 0.00 C ATOM 427 CG1 ILE A 26 -1.199 -2.853 1.252 1.00 0.00 C ATOM 428 CG2 ILE A 26 0.200 -1.215 2.539 1.00 0.00 C ATOM 429 CD1 ILE A 26 -2.058 -3.201 2.447 1.00 0.00 C ATOM 0 H ILE A 26 0.532 -4.074 -0.249 1.00 0.00 H new ATOM 0 HA ILE A 26 0.643 -1.236 -0.120 1.00 0.00 H new ATOM 0 HB ILE A 26 0.698 -3.255 2.158 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.675 -2.045 0.696 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.152 -3.714 0.585 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.383 -1.442 3.432 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.219 -0.956 2.827 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.254 -0.374 2.014 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.053 -3.490 2.108 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.605 -4.029 2.992 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.136 -2.335 3.104 1.00 0.00 H new ATOM 441 N PHE A 27 3.297 -2.952 0.712 1.00 0.00 N ATOM 442 CA PHE A 27 4.710 -2.858 1.060 1.00 0.00 C ATOM 443 C PHE A 27 5.535 -3.862 0.258 1.00 0.00 C ATOM 444 O PHE A 27 5.811 -4.967 0.727 1.00 0.00 O ATOM 445 CB PHE A 27 4.906 -3.100 2.558 1.00 0.00 C ATOM 446 CG PHE A 27 6.073 -2.352 3.140 1.00 0.00 C ATOM 447 CD1 PHE A 27 7.300 -2.349 2.498 1.00 0.00 C ATOM 448 CD2 PHE A 27 5.940 -1.655 4.329 1.00 0.00 C ATOM 449 CE1 PHE A 27 8.375 -1.662 3.032 1.00 0.00 C ATOM 450 CE2 PHE A 27 7.011 -0.967 4.868 1.00 0.00 C ATOM 451 CZ PHE A 27 8.230 -0.970 4.219 1.00 0.00 C ATOM 0 H PHE A 27 2.990 -3.888 0.448 1.00 0.00 H new ATOM 0 HA PHE A 27 5.053 -1.853 0.814 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.998 -2.809 3.087 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.047 -4.167 2.730 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.419 -2.889 1.570 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.989 -1.649 4.841 1.00 0.00 H new ATOM 0 HE1 PHE A 27 9.327 -1.666 2.522 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.894 -0.427 5.796 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.068 -0.433 4.638 1.00 0.00 H new ATOM 461 N PRO A 28 5.940 -3.490 -0.968 1.00 0.00 N ATOM 462 CA PRO A 28 6.736 -4.364 -1.835 1.00 0.00 C ATOM 463 C PRO A 28 8.156 -4.561 -1.314 1.00 0.00 C ATOM 464 O PRO A 28 8.663 -5.682 -1.273 1.00 0.00 O ATOM 465 CB PRO A 28 6.756 -3.619 -3.172 1.00 0.00 C ATOM 466 CG PRO A 28 6.552 -2.189 -2.811 1.00 0.00 C ATOM 467 CD PRO A 28 5.654 -2.190 -1.604 1.00 0.00 C ATOM 0 HA PRO A 28 6.314 -5.367 -1.898 1.00 0.00 H new ATOM 0 HB2 PRO A 28 7.703 -3.765 -3.692 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.969 -3.976 -3.836 1.00 0.00 H new ATOM 0 HG2 PRO A 28 7.502 -1.703 -2.590 1.00 0.00 H new ATOM 0 HG3 PRO A 28 6.097 -1.640 -3.635 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.877 -1.358 -0.936 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.604 -2.102 -1.884 1.00 0.00 H new ATOM 475 N THR A 29 8.793 -3.464 -0.918 1.00 0.00 N ATOM 476 CA THR A 29 10.154 -3.517 -0.399 1.00 0.00 C ATOM 477 C THR A 29 10.197 -4.241 0.945 1.00 0.00 C ATOM 478 O THR A 29 9.255 -4.161 1.733 1.00 0.00 O ATOM 479 CB THR A 29 10.720 -2.103 -0.248 1.00 0.00 C ATOM 480 OG1 THR A 29 9.771 -1.247 0.363 1.00 0.00 O ATOM 481 CG2 THR A 29 11.124 -1.476 -1.564 1.00 0.00 C ATOM 0 H THR A 29 8.388 -2.528 -0.947 1.00 0.00 H new ATOM 0 HA THR A 29 10.766 -4.072 -1.110 1.00 0.00 H new ATOM 0 HB THR A 29 11.610 -2.212 0.371 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.177 -1.774 0.937 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.517 -0.475 -1.385 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.892 -2.088 -2.038 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.255 -1.413 -2.219 1.00 0.00 H new ATOM 489 N PRO A 30 11.297 -4.962 1.226 1.00 0.00 N ATOM 490 CA PRO A 30 11.457 -5.702 2.481 1.00 0.00 C ATOM 491 C PRO A 30 11.723 -4.780 3.666 1.00 0.00 C ATOM 492 O PRO A 30 12.369 -3.741 3.526 1.00 0.00 O ATOM 493 CB PRO A 30 12.670 -6.592 2.213 1.00 0.00 C ATOM 494 CG PRO A 30 13.467 -5.844 1.201 1.00 0.00 C ATOM 495 CD PRO A 30 12.470 -5.113 0.343 1.00 0.00 C ATOM 0 HA PRO A 30 10.556 -6.255 2.748 1.00 0.00 H new ATOM 0 HB2 PRO A 30 13.245 -6.763 3.123 1.00 0.00 H new ATOM 0 HB3 PRO A 30 12.369 -7.570 1.837 1.00 0.00 H new ATOM 0 HG2 PRO A 30 14.152 -5.147 1.683 1.00 0.00 H new ATOM 0 HG3 PRO A 30 14.073 -6.524 0.602 1.00 0.00 H new ATOM 0 HD2 PRO A 30 12.854 -4.146 0.017 1.00 0.00 H new ATOM 0 HD3 PRO A 30 12.225 -5.678 -0.556 1.00 0.00 H new ATOM 503 N ASP A 31 11.223 -5.168 4.836 1.00 0.00 N ATOM 504 CA ASP A 31 11.409 -4.378 6.046 1.00 0.00 C ATOM 505 C ASP A 31 11.407 -5.274 7.283 1.00 0.00 C ATOM 506 O ASP A 31 10.358 -5.521 7.878 1.00 0.00 O ATOM 507 CB ASP A 31 10.306 -3.325 6.164 1.00 0.00 C ATOM 508 CG ASP A 31 10.816 -2.016 6.737 1.00 0.00 C ATOM 509 OD1 ASP A 31 12.045 -1.794 6.712 1.00 0.00 O ATOM 510 OD2 ASP A 31 9.985 -1.212 7.209 1.00 0.00 O ATOM 0 H ASP A 31 10.686 -6.025 4.970 1.00 0.00 H new ATOM 0 HA ASP A 31 12.375 -3.878 5.982 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.873 -3.144 5.180 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.507 -3.709 6.798 1.00 0.00 H new ATOM 515 N PRO A 32 12.588 -5.774 7.690 1.00 0.00 N ATOM 516 CA PRO A 32 12.711 -6.645 8.864 1.00 0.00 C ATOM 517 C PRO A 32 12.296 -5.939 10.150 1.00 0.00 C ATOM 518 O PRO A 32 11.879 -6.579 11.116 1.00 0.00 O ATOM 519 CB PRO A 32 14.201 -7.000 8.903 1.00 0.00 C ATOM 520 CG PRO A 32 14.875 -5.938 8.103 1.00 0.00 C ATOM 521 CD PRO A 32 13.889 -5.533 7.045 1.00 0.00 C ATOM 0 HA PRO A 32 12.060 -7.516 8.791 1.00 0.00 H new ATOM 0 HB2 PRO A 32 14.575 -7.019 9.927 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.382 -7.988 8.479 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.146 -5.089 8.730 1.00 0.00 H new ATOM 0 HG3 PRO A 32 15.797 -6.311 7.656 1.00 0.00 H new ATOM 0 HD2 PRO A 32 14.010 -4.488 6.760 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.005 -6.126 6.138 1.00 0.00 H new ATOM 529 N ALA A 33 12.409 -4.615 10.154 1.00 0.00 N ATOM 530 CA ALA A 33 12.041 -3.821 11.319 1.00 0.00 C ATOM 531 C ALA A 33 10.531 -3.622 11.392 1.00 0.00 C ATOM 532 O ALA A 33 9.978 -3.390 12.467 1.00 0.00 O ATOM 533 CB ALA A 33 12.752 -2.476 11.285 1.00 0.00 C ATOM 0 H ALA A 33 12.753 -4.070 9.363 1.00 0.00 H new ATOM 0 HA ALA A 33 12.353 -4.363 12.212 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.469 -1.892 12.161 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.830 -2.634 11.288 1.00 0.00 H new ATOM 0 HB3 ALA A 33 12.467 -1.937 10.382 1.00 0.00 H new ATOM 539 N ALA A 34 9.868 -3.712 10.242 1.00 0.00 N ATOM 540 CA ALA A 34 8.422 -3.540 10.180 1.00 0.00 C ATOM 541 C ALA A 34 7.700 -4.733 10.797 1.00 0.00 C ATOM 542 O ALA A 34 6.667 -4.575 11.448 1.00 0.00 O ATOM 543 CB ALA A 34 7.977 -3.339 8.739 1.00 0.00 C ATOM 0 H ALA A 34 10.310 -3.903 9.343 1.00 0.00 H new ATOM 0 HA ALA A 34 8.161 -2.653 10.757 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.895 -3.212 8.707 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.459 -2.451 8.330 1.00 0.00 H new ATOM 0 HB3 ALA A 34 8.258 -4.210 8.147 1.00 0.00 H new ATOM 549 N LEU A 35 8.252 -5.925 10.591 1.00 0.00 N ATOM 550 CA LEU A 35 7.659 -7.144 11.130 1.00 0.00 C ATOM 551 C LEU A 35 7.519 -7.055 12.646 1.00 0.00 C ATOM 552 O LEU A 35 6.594 -7.619 13.230 1.00 0.00 O ATOM 553 CB LEU A 35 8.508 -8.361 10.753 1.00 0.00 C ATOM 554 CG LEU A 35 9.015 -8.380 9.310 1.00 0.00 C ATOM 555 CD1 LEU A 35 9.659 -9.720 8.989 1.00 0.00 C ATOM 556 CD2 LEU A 35 7.879 -8.088 8.339 1.00 0.00 C ATOM 0 H LEU A 35 9.108 -6.073 10.056 1.00 0.00 H new ATOM 0 HA LEU A 35 6.665 -7.257 10.697 1.00 0.00 H new ATOM 0 HB2 LEU A 35 9.366 -8.407 11.423 1.00 0.00 H new ATOM 0 HB3 LEU A 35 7.920 -9.262 10.926 1.00 0.00 H new ATOM 0 HG LEU A 35 9.769 -7.600 9.201 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.014 -9.716 7.958 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.500 -9.890 9.662 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.925 -10.516 9.117 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.260 -8.106 7.318 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.102 -8.844 8.450 1.00 0.00 H new ATOM 0 HD23 LEU A 35 7.461 -7.104 8.553 1.00 0.00 H new ATOM 568 N LYS A 36 8.444 -6.338 13.276 1.00 0.00 N ATOM 569 CA LYS A 36 8.426 -6.170 14.724 1.00 0.00 C ATOM 570 C LYS A 36 7.553 -4.982 15.122 1.00 0.00 C ATOM 571 O LYS A 36 7.035 -4.927 16.237 1.00 0.00 O ATOM 572 CB LYS A 36 9.847 -5.973 15.254 1.00 0.00 C ATOM 573 CG LYS A 36 10.800 -7.093 14.869 1.00 0.00 C ATOM 574 CD LYS A 36 12.210 -6.572 14.643 1.00 0.00 C ATOM 575 CE LYS A 36 13.252 -7.633 14.956 1.00 0.00 C ATOM 576 NZ LYS A 36 14.461 -7.495 14.097 1.00 0.00 N ATOM 0 H LYS A 36 9.215 -5.864 12.806 1.00 0.00 H new ATOM 0 HA LYS A 36 8.004 -7.073 15.165 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.239 -5.028 14.877 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.813 -5.893 16.341 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.812 -7.848 15.655 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.442 -7.581 13.963 1.00 0.00 H new ATOM 0 HD2 LYS A 36 12.318 -6.249 13.608 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.381 -5.697 15.270 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.541 -7.560 16.004 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.817 -8.622 14.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 15.147 -8.237 14.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 14.190 -7.590 13.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.892 -6.561 14.251 1.00 0.00 H new ATOM 590 N ASP A 37 7.395 -4.032 14.203 1.00 0.00 N ATOM 591 CA ASP A 37 6.585 -2.848 14.463 1.00 0.00 C ATOM 592 C ASP A 37 5.102 -3.202 14.516 1.00 0.00 C ATOM 593 O ASP A 37 4.610 -3.981 13.700 1.00 0.00 O ATOM 594 CB ASP A 37 6.831 -1.792 13.384 1.00 0.00 C ATOM 595 CG ASP A 37 6.563 -0.384 13.880 1.00 0.00 C ATOM 596 OD1 ASP A 37 5.391 0.046 13.841 1.00 0.00 O ATOM 597 OD2 ASP A 37 7.525 0.287 14.307 1.00 0.00 O ATOM 0 H ASP A 37 7.817 -4.060 13.275 1.00 0.00 H new ATOM 0 HA ASP A 37 6.877 -2.444 15.432 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.863 -1.862 13.039 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.193 -1.999 12.525 1.00 0.00 H new ATOM 602 N ARG A 38 4.396 -2.623 15.481 1.00 0.00 N ATOM 603 CA ARG A 38 2.968 -2.875 15.640 1.00 0.00 C ATOM 604 C ARG A 38 2.198 -2.478 14.384 1.00 0.00 C ATOM 605 O ARG A 38 1.139 -3.032 14.092 1.00 0.00 O ATOM 606 CB ARG A 38 2.425 -2.108 16.847 1.00 0.00 C ATOM 607 CG ARG A 38 2.918 -2.643 18.182 1.00 0.00 C ATOM 608 CD ARG A 38 2.352 -4.023 18.471 1.00 0.00 C ATOM 609 NE ARG A 38 3.201 -5.087 17.938 1.00 0.00 N ATOM 610 CZ ARG A 38 3.089 -6.368 18.283 1.00 0.00 C ATOM 611 NH1 ARG A 38 2.168 -6.749 19.160 1.00 0.00 N ATOM 612 NH2 ARG A 38 3.901 -7.270 17.749 1.00 0.00 N ATOM 0 H ARG A 38 4.789 -1.976 16.165 1.00 0.00 H new ATOM 0 HA ARG A 38 2.832 -3.944 15.804 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.709 -1.060 16.758 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.336 -2.145 16.830 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.007 -2.689 18.177 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.631 -1.957 18.979 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.243 -4.152 19.548 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.355 -4.104 18.038 1.00 0.00 H new ATOM 0 HE ARG A 38 3.921 -4.833 17.262 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.541 -6.059 19.574 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.087 -7.732 19.420 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.610 -6.982 17.075 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.816 -8.252 18.012 1.00 0.00 H new ATOM 626 N ARG A 39 2.740 -1.513 13.644 1.00 0.00 N ATOM 627 CA ARG A 39 2.108 -1.039 12.417 1.00 0.00 C ATOM 628 C ARG A 39 1.782 -2.202 11.484 1.00 0.00 C ATOM 629 O ARG A 39 0.654 -2.336 11.010 1.00 0.00 O ATOM 630 CB ARG A 39 3.022 -0.041 11.705 1.00 0.00 C ATOM 631 CG ARG A 39 2.281 0.931 10.800 1.00 0.00 C ATOM 632 CD ARG A 39 1.761 0.245 9.546 1.00 0.00 C ATOM 633 NE ARG A 39 2.826 -0.419 8.797 1.00 0.00 N ATOM 634 CZ ARG A 39 2.643 -1.020 7.623 1.00 0.00 C ATOM 635 NH1 ARG A 39 1.442 -1.037 7.059 1.00 0.00 N ATOM 636 NH2 ARG A 39 3.664 -1.604 7.011 1.00 0.00 N ATOM 0 H ARG A 39 3.616 -1.044 13.874 1.00 0.00 H new ATOM 0 HA ARG A 39 1.175 -0.543 12.687 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.579 0.525 12.452 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.753 -0.591 11.112 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.447 1.373 11.346 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.947 1.747 10.519 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.003 -0.488 9.823 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.274 0.981 8.907 1.00 0.00 H new ATOM 0 HE ARG A 39 3.764 -0.422 9.197 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.653 -0.588 7.525 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.307 -1.499 6.160 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.590 -1.593 7.440 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.524 -2.064 6.112 1.00 0.00 H new ATOM 650 N MET A 40 2.779 -3.043 11.226 1.00 0.00 N ATOM 651 CA MET A 40 2.602 -4.195 10.350 1.00 0.00 C ATOM 652 C MET A 40 1.476 -5.096 10.852 1.00 0.00 C ATOM 653 O MET A 40 0.847 -5.811 10.071 1.00 0.00 O ATOM 654 CB MET A 40 3.904 -4.993 10.253 1.00 0.00 C ATOM 655 CG MET A 40 4.052 -5.756 8.946 1.00 0.00 C ATOM 656 SD MET A 40 5.549 -5.312 8.043 1.00 0.00 S ATOM 657 CE MET A 40 5.007 -5.546 6.353 1.00 0.00 C ATOM 0 H MET A 40 3.718 -2.948 11.612 1.00 0.00 H new ATOM 0 HA MET A 40 2.333 -3.827 9.360 1.00 0.00 H new ATOM 0 HB2 MET A 40 4.748 -4.312 10.364 1.00 0.00 H new ATOM 0 HB3 MET A 40 3.952 -5.698 11.083 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.063 -6.826 9.154 1.00 0.00 H new ATOM 0 HG3 MET A 40 3.183 -5.562 8.317 1.00 0.00 H new ATOM 0 HE1 MET A 40 5.857 -5.837 5.735 1.00 0.00 H new ATOM 0 HE2 MET A 40 4.249 -6.328 6.319 1.00 0.00 H new ATOM 0 HE3 MET A 40 4.585 -4.615 5.974 1.00 0.00 H new ATOM 667 N GLU A 41 1.227 -5.058 12.157 1.00 0.00 N ATOM 668 CA GLU A 41 0.175 -5.870 12.760 1.00 0.00 C ATOM 669 C GLU A 41 -1.172 -5.593 12.101 1.00 0.00 C ATOM 670 O GLU A 41 -2.010 -6.487 11.978 1.00 0.00 O ATOM 671 CB GLU A 41 0.088 -5.596 14.263 1.00 0.00 C ATOM 672 CG GLU A 41 -0.672 -6.664 15.033 1.00 0.00 C ATOM 673 CD GLU A 41 -0.116 -8.055 14.802 1.00 0.00 C ATOM 674 OE1 GLU A 41 -0.460 -8.668 13.770 1.00 0.00 O ATOM 675 OE2 GLU A 41 0.664 -8.532 15.653 1.00 0.00 O ATOM 0 H GLU A 41 1.739 -4.474 12.818 1.00 0.00 H new ATOM 0 HA GLU A 41 0.426 -6.919 12.603 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.097 -5.516 14.668 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.396 -4.632 14.421 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.636 -6.434 16.098 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.721 -6.642 14.738 1.00 0.00 H new ATOM 682 N ASN A 42 -1.373 -4.350 11.677 1.00 0.00 N ATOM 683 CA ASN A 42 -2.617 -3.955 11.029 1.00 0.00 C ATOM 684 C ASN A 42 -2.624 -4.379 9.564 1.00 0.00 C ATOM 685 O ASN A 42 -3.675 -4.675 8.997 1.00 0.00 O ATOM 686 CB ASN A 42 -2.816 -2.441 11.135 1.00 0.00 C ATOM 687 CG ASN A 42 -3.597 -2.045 12.372 1.00 0.00 C ATOM 688 OD1 ASN A 42 -4.776 -1.701 12.294 1.00 0.00 O ATOM 689 ND2 ASN A 42 -2.940 -2.092 13.526 1.00 0.00 N ATOM 0 H ASN A 42 -0.690 -3.599 11.771 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.439 -4.458 11.539 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.843 -1.950 11.150 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.340 -2.083 10.248 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.413 -1.837 14.393 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.963 -2.383 13.545 1.00 0.00 H new ATOM 696 N LEU A 43 -1.441 -4.406 8.958 1.00 0.00 N ATOM 697 CA LEU A 43 -1.309 -4.795 7.558 1.00 0.00 C ATOM 698 C LEU A 43 -1.822 -6.214 7.336 1.00 0.00 C ATOM 699 O LEU A 43 -2.655 -6.455 6.462 1.00 0.00 O ATOM 700 CB LEU A 43 0.154 -4.690 7.116 1.00 0.00 C ATOM 701 CG LEU A 43 0.379 -3.948 5.798 1.00 0.00 C ATOM 702 CD1 LEU A 43 1.867 -3.827 5.502 1.00 0.00 C ATOM 703 CD2 LEU A 43 -0.337 -4.657 4.659 1.00 0.00 C ATOM 0 H LEU A 43 -0.561 -4.164 9.414 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.913 -4.115 6.957 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.720 -4.187 7.900 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.563 -5.696 7.024 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.035 -2.944 5.892 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.009 -3.296 4.560 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.354 -3.276 6.306 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.305 -4.822 5.427 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.166 -4.115 3.729 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.048 -5.672 4.564 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.406 -4.692 4.867 1.00 0.00 H new ATOM 715 N VAL A 44 -1.319 -7.150 8.135 1.00 0.00 N ATOM 716 CA VAL A 44 -1.726 -8.545 8.028 1.00 0.00 C ATOM 717 C VAL A 44 -3.227 -8.697 8.250 1.00 0.00 C ATOM 718 O VAL A 44 -3.946 -9.189 7.379 1.00 0.00 O ATOM 719 CB VAL A 44 -0.976 -9.427 9.043 1.00 0.00 C ATOM 720 CG1 VAL A 44 -1.276 -10.898 8.799 1.00 0.00 C ATOM 721 CG2 VAL A 44 0.520 -9.162 8.978 1.00 0.00 C ATOM 0 H VAL A 44 -0.629 -6.967 8.863 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.476 -8.872 7.019 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.324 -9.172 10.044 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.737 -11.505 9.526 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.347 -11.073 8.903 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.960 -11.172 7.792 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.033 -9.794 9.702 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.886 -9.387 7.976 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.714 -8.115 9.209 1.00 0.00 H new ATOM 731 N ALA A 45 -3.694 -8.272 9.419 1.00 0.00 N ATOM 732 CA ALA A 45 -5.110 -8.359 9.756 1.00 0.00 C ATOM 733 C ALA A 45 -5.967 -7.651 8.711 1.00 0.00 C ATOM 734 O ALA A 45 -7.062 -8.105 8.381 1.00 0.00 O ATOM 735 CB ALA A 45 -5.362 -7.769 11.135 1.00 0.00 C ATOM 0 H ALA A 45 -3.112 -7.863 10.150 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.391 -9.412 9.767 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.423 -7.841 11.373 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.785 -8.320 11.878 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.058 -6.722 11.144 1.00 0.00 H new ATOM 741 N TYR A 46 -5.458 -6.538 8.193 1.00 0.00 N ATOM 742 CA TYR A 46 -6.175 -5.769 7.183 1.00 0.00 C ATOM 743 C TYR A 46 -6.395 -6.603 5.924 1.00 0.00 C ATOM 744 O TYR A 46 -7.503 -6.658 5.389 1.00 0.00 O ATOM 745 CB TYR A 46 -5.399 -4.493 6.840 1.00 0.00 C ATOM 746 CG TYR A 46 -6.027 -3.674 5.735 1.00 0.00 C ATOM 747 CD1 TYR A 46 -5.803 -3.986 4.400 1.00 0.00 C ATOM 748 CD2 TYR A 46 -6.844 -2.589 6.026 1.00 0.00 C ATOM 749 CE1 TYR A 46 -6.375 -3.241 3.387 1.00 0.00 C ATOM 750 CE2 TYR A 46 -7.420 -1.839 5.020 1.00 0.00 C ATOM 751 CZ TYR A 46 -7.182 -2.168 3.701 1.00 0.00 C ATOM 752 OH TYR A 46 -7.754 -1.423 2.696 1.00 0.00 O ATOM 0 H TYR A 46 -4.553 -6.149 8.456 1.00 0.00 H new ATOM 0 HA TYR A 46 -7.149 -5.494 7.589 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.318 -3.876 7.735 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.385 -4.764 6.547 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.171 -4.825 4.150 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -7.032 -2.328 7.057 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.191 -3.498 2.354 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -8.054 -0.999 5.264 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.309 -1.624 1.846 1.00 0.00 H new ATOM 762 N ALA A 47 -5.333 -7.250 5.458 1.00 0.00 N ATOM 763 CA ALA A 47 -5.408 -8.082 4.263 1.00 0.00 C ATOM 764 C ALA A 47 -6.191 -9.363 4.535 1.00 0.00 C ATOM 765 O ALA A 47 -6.802 -9.931 3.630 1.00 0.00 O ATOM 766 CB ALA A 47 -4.010 -8.413 3.764 1.00 0.00 C ATOM 0 H ALA A 47 -4.410 -7.214 5.890 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.935 -7.521 3.491 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.080 -9.035 2.871 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.482 -7.490 3.523 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.465 -8.951 4.539 1.00 0.00 H new ATOM 772 N LYS A 48 -6.166 -9.815 5.785 1.00 0.00 N ATOM 773 CA LYS A 48 -6.871 -11.031 6.175 1.00 0.00 C ATOM 774 C LYS A 48 -8.375 -10.884 5.969 1.00 0.00 C ATOM 775 O LYS A 48 -9.058 -11.841 5.602 1.00 0.00 O ATOM 776 CB LYS A 48 -6.577 -11.369 7.637 1.00 0.00 C ATOM 777 CG LYS A 48 -6.505 -12.862 7.914 1.00 0.00 C ATOM 778 CD LYS A 48 -5.654 -13.162 9.137 1.00 0.00 C ATOM 779 CE LYS A 48 -6.508 -13.315 10.386 1.00 0.00 C ATOM 780 NZ LYS A 48 -5.834 -12.756 11.591 1.00 0.00 N ATOM 0 H LYS A 48 -5.665 -9.357 6.546 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.515 -11.843 5.541 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.632 -10.909 7.925 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.351 -10.928 8.266 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.511 -13.254 8.065 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.090 -13.374 7.046 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.085 -14.076 8.970 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.932 -12.359 9.285 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.463 -12.811 10.237 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.727 -14.370 10.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.448 -12.880 12.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.935 -13.254 11.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.648 -11.743 11.446 1.00 0.00 H new ATOM 794 N LYS A 49 -8.888 -9.681 6.209 1.00 0.00 N ATOM 795 CA LYS A 49 -10.313 -9.415 6.050 1.00 0.00 C ATOM 796 C LYS A 49 -10.664 -9.170 4.586 1.00 0.00 C ATOM 797 O LYS A 49 -11.732 -9.564 4.119 1.00 0.00 O ATOM 798 CB LYS A 49 -10.729 -8.210 6.897 1.00 0.00 C ATOM 799 CG LYS A 49 -9.943 -6.947 6.587 1.00 0.00 C ATOM 800 CD LYS A 49 -10.651 -5.709 7.115 1.00 0.00 C ATOM 801 CE LYS A 49 -9.845 -4.448 6.842 1.00 0.00 C ATOM 802 NZ LYS A 49 -9.668 -4.207 5.384 1.00 0.00 N ATOM 0 H LYS A 49 -8.339 -8.877 6.514 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.859 -10.294 6.392 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -11.790 -8.015 6.740 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -10.603 -8.457 7.951 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -8.950 -7.017 7.030 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.805 -6.858 5.509 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.632 -5.623 6.649 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -10.816 -5.812 8.188 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -10.347 -3.592 7.293 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.868 -4.532 7.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -9.766 -3.191 5.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.723 -4.528 5.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -10.392 -4.734 4.855 1.00 0.00 H new ATOM 816 N VAL A 50 -9.759 -8.515 3.865 1.00 0.00 N ATOM 817 CA VAL A 50 -9.977 -8.215 2.454 1.00 0.00 C ATOM 818 C VAL A 50 -9.786 -9.455 1.590 1.00 0.00 C ATOM 819 O VAL A 50 -10.603 -9.738 0.716 1.00 0.00 O ATOM 820 CB VAL A 50 -9.030 -7.106 1.960 1.00 0.00 C ATOM 821 CG1 VAL A 50 -9.409 -6.669 0.553 1.00 0.00 C ATOM 822 CG2 VAL A 50 -9.042 -5.923 2.918 1.00 0.00 C ATOM 0 H VAL A 50 -8.868 -8.182 4.234 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.006 -7.869 2.362 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.016 -7.506 1.931 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.729 -5.885 0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -9.340 -7.521 -0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.430 -6.288 0.553 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.366 -5.151 2.551 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -10.052 -5.519 2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.716 -6.251 3.905 1.00 0.00 H new ATOM 832 N GLU A 51 -8.708 -10.197 1.838 1.00 0.00 N ATOM 833 CA GLU A 51 -8.430 -11.411 1.073 1.00 0.00 C ATOM 834 C GLU A 51 -9.674 -12.289 1.007 1.00 0.00 C ATOM 835 O GLU A 51 -10.056 -12.760 -0.063 1.00 0.00 O ATOM 836 CB GLU A 51 -7.267 -12.187 1.695 1.00 0.00 C ATOM 837 CG GLU A 51 -7.483 -12.537 3.158 1.00 0.00 C ATOM 838 CD GLU A 51 -8.145 -13.889 3.345 1.00 0.00 C ATOM 839 OE1 GLU A 51 -8.642 -14.451 2.346 1.00 0.00 O ATOM 840 OE2 GLU A 51 -8.167 -14.385 4.491 1.00 0.00 O ATOM 0 H GLU A 51 -8.018 -9.981 2.557 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.149 -11.122 0.060 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.110 -13.106 1.130 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.356 -11.596 1.602 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.523 -12.533 3.674 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.099 -11.768 3.624 1.00 0.00 H new ATOM 847 N GLY A 52 -10.317 -12.480 2.155 1.00 0.00 N ATOM 848 CA GLY A 52 -11.528 -13.274 2.191 1.00 0.00 C ATOM 849 C GLY A 52 -12.608 -12.648 1.337 1.00 0.00 C ATOM 850 O GLY A 52 -13.427 -13.346 0.738 1.00 0.00 O ATOM 0 H GLY A 52 -10.022 -12.101 3.055 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.317 -14.283 1.836 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.878 -13.364 3.219 1.00 0.00 H new ATOM 854 N ASP A 53 -12.589 -11.320 1.269 1.00 0.00 N ATOM 855 CA ASP A 53 -13.549 -10.574 0.469 1.00 0.00 C ATOM 856 C ASP A 53 -13.156 -10.617 -1.004 1.00 0.00 C ATOM 857 O ASP A 53 -14.004 -10.510 -1.890 1.00 0.00 O ATOM 858 CB ASP A 53 -13.626 -9.122 0.946 1.00 0.00 C ATOM 859 CG ASP A 53 -14.703 -8.914 1.993 1.00 0.00 C ATOM 860 OD1 ASP A 53 -14.935 -9.840 2.798 1.00 0.00 O ATOM 861 OD2 ASP A 53 -15.316 -7.825 2.006 1.00 0.00 O ATOM 0 H ASP A 53 -11.913 -10.737 1.763 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.529 -11.035 0.587 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -12.661 -8.826 1.357 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.822 -8.472 0.093 1.00 0.00 H new ATOM 866 N MET A 54 -11.859 -10.776 -1.256 1.00 0.00 N ATOM 867 CA MET A 54 -11.340 -10.836 -2.616 1.00 0.00 C ATOM 868 C MET A 54 -11.587 -12.208 -3.234 1.00 0.00 C ATOM 869 O MET A 54 -11.915 -12.317 -4.416 1.00 0.00 O ATOM 870 CB MET A 54 -9.843 -10.523 -2.626 1.00 0.00 C ATOM 871 CG MET A 54 -9.530 -9.038 -2.531 1.00 0.00 C ATOM 872 SD MET A 54 -10.240 -8.090 -3.890 1.00 0.00 S ATOM 873 CE MET A 54 -11.644 -7.333 -3.076 1.00 0.00 C ATOM 0 H MET A 54 -11.147 -10.866 -0.531 1.00 0.00 H new ATOM 0 HA MET A 54 -11.866 -10.090 -3.211 1.00 0.00 H new ATOM 0 HB2 MET A 54 -9.367 -11.040 -1.793 1.00 0.00 H new ATOM 0 HB3 MET A 54 -9.403 -10.920 -3.541 1.00 0.00 H new ATOM 0 HG2 MET A 54 -9.910 -8.650 -1.586 1.00 0.00 H new ATOM 0 HG3 MET A 54 -8.449 -8.898 -2.522 1.00 0.00 H new ATOM 0 HE1 MET A 54 -12.451 -7.194 -3.796 1.00 0.00 H new ATOM 0 HE2 MET A 54 -11.987 -7.978 -2.267 1.00 0.00 H new ATOM 0 HE3 MET A 54 -11.350 -6.365 -2.669 1.00 0.00 H new ATOM 883 N TYR A 55 -11.427 -13.252 -2.428 1.00 0.00 N ATOM 884 CA TYR A 55 -11.632 -14.616 -2.898 1.00 0.00 C ATOM 885 C TYR A 55 -13.108 -14.867 -3.203 1.00 0.00 C ATOM 886 O TYR A 55 -13.457 -15.269 -4.306 1.00 0.00 O ATOM 887 CB TYR A 55 -11.122 -15.613 -1.847 1.00 0.00 C ATOM 888 CG TYR A 55 -11.438 -17.069 -2.142 1.00 0.00 C ATOM 889 CD1 TYR A 55 -12.733 -17.556 -2.016 1.00 0.00 C ATOM 890 CD2 TYR A 55 -10.439 -17.957 -2.532 1.00 0.00 C ATOM 891 CE1 TYR A 55 -13.025 -18.883 -2.270 1.00 0.00 C ATOM 892 CE2 TYR A 55 -10.725 -19.287 -2.791 1.00 0.00 C ATOM 893 CZ TYR A 55 -12.019 -19.743 -2.659 1.00 0.00 C ATOM 894 OH TYR A 55 -12.308 -21.064 -2.912 1.00 0.00 O ATOM 0 H TYR A 55 -11.156 -13.179 -1.447 1.00 0.00 H new ATOM 0 HA TYR A 55 -11.068 -14.756 -3.820 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -10.042 -15.502 -1.756 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -11.552 -15.351 -0.880 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -13.525 -16.886 -1.714 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.424 -17.603 -2.634 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -14.037 -19.245 -2.164 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.939 -19.963 -3.095 1.00 0.00 H new ATOM 0 HH TYR A 55 -12.415 -21.196 -3.877 1.00 0.00 H new ATOM 904 N GLU A 56 -13.969 -14.615 -2.222 1.00 0.00 N ATOM 905 CA GLU A 56 -15.410 -14.816 -2.388 1.00 0.00 C ATOM 906 C GLU A 56 -15.931 -14.175 -3.674 1.00 0.00 C ATOM 907 O GLU A 56 -16.828 -14.712 -4.324 1.00 0.00 O ATOM 908 CB GLU A 56 -16.162 -14.247 -1.186 1.00 0.00 C ATOM 909 CG GLU A 56 -16.322 -15.237 -0.044 1.00 0.00 C ATOM 910 CD GLU A 56 -16.208 -14.580 1.318 1.00 0.00 C ATOM 911 OE1 GLU A 56 -16.442 -13.357 1.408 1.00 0.00 O ATOM 912 OE2 GLU A 56 -15.886 -15.290 2.295 1.00 0.00 O ATOM 0 H GLU A 56 -13.696 -14.271 -1.301 1.00 0.00 H new ATOM 0 HA GLU A 56 -15.584 -15.890 -2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.633 -13.366 -0.821 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -17.149 -13.915 -1.509 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.292 -15.728 -0.127 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -15.563 -16.014 -0.133 1.00 0.00 H new ATOM 919 N SER A 57 -15.373 -13.024 -4.034 1.00 0.00 N ATOM 920 CA SER A 57 -15.793 -12.311 -5.240 1.00 0.00 C ATOM 921 C SER A 57 -15.778 -13.228 -6.464 1.00 0.00 C ATOM 922 O SER A 57 -16.779 -13.356 -7.168 1.00 0.00 O ATOM 923 CB SER A 57 -14.885 -11.104 -5.482 1.00 0.00 C ATOM 924 OG SER A 57 -15.290 -10.383 -6.632 1.00 0.00 O ATOM 0 H SER A 57 -14.629 -12.563 -3.510 1.00 0.00 H new ATOM 0 HA SER A 57 -16.816 -11.969 -5.086 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.907 -10.448 -4.612 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.855 -11.439 -5.603 1.00 0.00 H new ATOM 0 HG SER A 57 -14.695 -9.616 -6.764 1.00 0.00 H new ATOM 930 N ALA A 58 -14.635 -13.858 -6.708 1.00 0.00 N ATOM 931 CA ALA A 58 -14.477 -14.761 -7.842 1.00 0.00 C ATOM 932 C ALA A 58 -15.369 -15.975 -7.734 1.00 0.00 C ATOM 933 O ALA A 58 -15.339 -16.697 -6.740 1.00 0.00 O ATOM 934 CB ALA A 58 -13.032 -15.211 -7.961 1.00 0.00 C ATOM 0 H ALA A 58 -13.799 -13.759 -6.132 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.769 -14.205 -8.733 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.930 -15.885 -8.812 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -12.391 -14.342 -8.107 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -12.736 -15.730 -7.049 1.00 0.00 H new ATOM 940 N ASN A 59 -16.118 -16.231 -8.795 1.00 0.00 N ATOM 941 CA ASN A 59 -16.957 -17.412 -8.835 1.00 0.00 C ATOM 942 C ASN A 59 -16.105 -18.578 -9.294 1.00 0.00 C ATOM 943 O ASN A 59 -16.575 -19.706 -9.385 1.00 0.00 O ATOM 944 CB ASN A 59 -18.158 -17.258 -9.775 1.00 0.00 C ATOM 945 CG ASN A 59 -17.815 -16.500 -11.044 1.00 0.00 C ATOM 946 OD1 ASN A 59 -17.217 -17.194 -12.005 1.00 0.00 O flip ATOM 947 ND2 ASN A 59 -18.084 -15.304 -11.159 1.00 0.00 N flip ATOM 0 H ASN A 59 -16.161 -15.644 -9.628 1.00 0.00 H new ATOM 0 HA ASN A 59 -17.359 -17.576 -7.835 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -18.537 -18.245 -10.038 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -18.960 -16.737 -9.251 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -18.544 -14.809 -10.395 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.847 -14.808 -12.018 1.00 0.00 H new ATOM 954 N SER A 60 -14.837 -18.281 -9.592 1.00 0.00 N ATOM 955 CA SER A 60 -13.900 -19.298 -10.052 1.00 0.00 C ATOM 956 C SER A 60 -12.467 -18.910 -9.705 1.00 0.00 C ATOM 957 O SER A 60 -12.234 -17.929 -8.999 1.00 0.00 O ATOM 958 CB SER A 60 -14.038 -19.502 -11.564 1.00 0.00 C ATOM 959 OG SER A 60 -14.669 -18.389 -12.173 1.00 0.00 O ATOM 0 H SER A 60 -14.440 -17.344 -9.522 1.00 0.00 H new ATOM 0 HA SER A 60 -14.136 -20.234 -9.545 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.053 -19.652 -12.005 1.00 0.00 H new ATOM 0 HB3 SER A 60 -14.616 -20.405 -11.761 1.00 0.00 H new ATOM 0 HG SER A 60 -15.616 -18.373 -11.923 1.00 0.00 H new ATOM 965 N ARG A 61 -11.511 -19.684 -10.204 1.00 0.00 N ATOM 966 CA ARG A 61 -10.102 -19.419 -9.944 1.00 0.00 C ATOM 967 C ARG A 61 -9.623 -18.199 -10.729 1.00 0.00 C ATOM 968 O ARG A 61 -9.088 -17.250 -10.157 1.00 0.00 O ATOM 969 CB ARG A 61 -9.256 -20.642 -10.311 1.00 0.00 C ATOM 970 CG ARG A 61 -7.754 -20.399 -10.239 1.00 0.00 C ATOM 971 CD ARG A 61 -6.982 -21.478 -10.978 1.00 0.00 C ATOM 972 NE ARG A 61 -6.577 -21.045 -12.313 1.00 0.00 N ATOM 973 CZ ARG A 61 -5.677 -20.091 -12.543 1.00 0.00 C ATOM 974 NH1 ARG A 61 -5.088 -19.469 -11.529 1.00 0.00 N ATOM 975 NH2 ARG A 61 -5.367 -19.758 -13.788 1.00 0.00 N ATOM 0 H ARG A 61 -11.686 -20.500 -10.791 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.987 -19.211 -8.880 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.514 -21.463 -9.642 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -9.514 -20.960 -11.321 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.521 -19.424 -10.668 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.438 -20.373 -9.196 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.098 -21.750 -10.402 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.598 -22.374 -11.059 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.009 -21.500 -13.117 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.324 -19.721 -10.569 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.399 -18.739 -11.709 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -5.818 -20.233 -14.570 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.678 -19.027 -13.964 1.00 0.00 H new ATOM 989 N ASP A 62 -9.811 -18.238 -12.044 1.00 0.00 N ATOM 990 CA ASP A 62 -9.392 -17.144 -12.916 1.00 0.00 C ATOM 991 C ASP A 62 -9.944 -15.805 -12.437 1.00 0.00 C ATOM 992 O ASP A 62 -9.195 -14.845 -12.251 1.00 0.00 O ATOM 993 CB ASP A 62 -9.849 -17.408 -14.352 1.00 0.00 C ATOM 994 CG ASP A 62 -8.926 -16.778 -15.378 1.00 0.00 C ATOM 995 OD1 ASP A 62 -8.569 -15.594 -15.206 1.00 0.00 O ATOM 996 OD2 ASP A 62 -8.561 -17.469 -16.352 1.00 0.00 O ATOM 0 H ASP A 62 -10.252 -19.018 -12.532 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.304 -17.094 -12.884 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.898 -18.483 -14.523 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.858 -17.018 -14.487 1.00 0.00 H new ATOM 1001 N GLU A 63 -11.257 -15.745 -12.241 1.00 0.00 N ATOM 1002 CA GLU A 63 -11.909 -14.520 -11.787 1.00 0.00 C ATOM 1003 C GLU A 63 -11.259 -13.987 -10.511 1.00 0.00 C ATOM 1004 O GLU A 63 -11.322 -12.791 -10.226 1.00 0.00 O ATOM 1005 CB GLU A 63 -13.400 -14.770 -11.551 1.00 0.00 C ATOM 1006 CG GLU A 63 -14.156 -13.542 -11.071 1.00 0.00 C ATOM 1007 CD GLU A 63 -14.236 -12.457 -12.126 1.00 0.00 C ATOM 1008 OE1 GLU A 63 -13.215 -11.774 -12.354 1.00 0.00 O ATOM 1009 OE2 GLU A 63 -15.319 -12.290 -12.726 1.00 0.00 O ATOM 0 H GLU A 63 -11.891 -16.530 -12.389 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.791 -13.768 -12.567 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.851 -15.125 -12.478 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.514 -15.567 -10.816 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -15.165 -13.833 -10.777 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.667 -13.144 -10.182 1.00 0.00 H new ATOM 1016 N TYR A 64 -10.637 -14.878 -9.746 1.00 0.00 N ATOM 1017 CA TYR A 64 -9.978 -14.491 -8.502 1.00 0.00 C ATOM 1018 C TYR A 64 -8.616 -13.860 -8.777 1.00 0.00 C ATOM 1019 O TYR A 64 -8.268 -12.834 -8.193 1.00 0.00 O ATOM 1020 CB TYR A 64 -9.814 -15.707 -7.587 1.00 0.00 C ATOM 1021 CG TYR A 64 -9.140 -15.395 -6.268 1.00 0.00 C ATOM 1022 CD1 TYR A 64 -9.395 -14.205 -5.598 1.00 0.00 C ATOM 1023 CD2 TYR A 64 -8.248 -16.293 -5.695 1.00 0.00 C ATOM 1024 CE1 TYR A 64 -8.779 -13.918 -4.394 1.00 0.00 C ATOM 1025 CE2 TYR A 64 -7.629 -16.013 -4.492 1.00 0.00 C ATOM 1026 CZ TYR A 64 -7.898 -14.825 -3.845 1.00 0.00 C ATOM 1027 OH TYR A 64 -7.285 -14.543 -2.646 1.00 0.00 O ATOM 0 H TYR A 64 -10.575 -15.872 -9.965 1.00 0.00 H new ATOM 0 HA TYR A 64 -10.606 -13.751 -8.005 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.796 -16.136 -7.389 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -9.234 -16.467 -8.110 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -10.086 -13.493 -6.025 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.035 -17.225 -6.198 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -8.987 -12.988 -3.886 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -6.937 -16.721 -4.060 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.695 -15.285 -2.397 1.00 0.00 H new ATOM 1037 N TYR A 65 -7.851 -14.480 -9.668 1.00 0.00 N ATOM 1038 CA TYR A 65 -6.526 -13.980 -10.019 1.00 0.00 C ATOM 1039 C TYR A 65 -6.619 -12.633 -10.733 1.00 0.00 C ATOM 1040 O TYR A 65 -5.690 -11.827 -10.678 1.00 0.00 O ATOM 1041 CB TYR A 65 -5.795 -14.994 -10.903 1.00 0.00 C ATOM 1042 CG TYR A 65 -4.429 -15.377 -10.379 1.00 0.00 C ATOM 1043 CD1 TYR A 65 -3.379 -14.468 -10.392 1.00 0.00 C ATOM 1044 CD2 TYR A 65 -4.191 -16.650 -9.874 1.00 0.00 C ATOM 1045 CE1 TYR A 65 -2.129 -14.816 -9.914 1.00 0.00 C ATOM 1046 CE2 TYR A 65 -2.943 -17.004 -9.395 1.00 0.00 C ATOM 1047 CZ TYR A 65 -1.917 -16.084 -9.417 1.00 0.00 C ATOM 1048 OH TYR A 65 -0.674 -16.433 -8.942 1.00 0.00 O ATOM 0 H TYR A 65 -8.125 -15.330 -10.161 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.962 -13.839 -9.097 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.406 -15.892 -10.993 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -5.688 -14.579 -11.905 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -3.541 -13.474 -10.782 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -4.993 -17.373 -9.855 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -1.323 -14.098 -9.930 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.773 -17.997 -9.005 1.00 0.00 H new ATOM 0 HH TYR A 65 -0.693 -17.361 -8.627 1.00 0.00 H new ATOM 1058 N HIS A 66 -7.741 -12.397 -11.406 1.00 0.00 N ATOM 1059 CA HIS A 66 -7.947 -11.149 -12.133 1.00 0.00 C ATOM 1060 C HIS A 66 -8.207 -9.992 -11.175 1.00 0.00 C ATOM 1061 O HIS A 66 -7.493 -8.988 -11.192 1.00 0.00 O ATOM 1062 CB HIS A 66 -9.118 -11.292 -13.108 1.00 0.00 C ATOM 1063 CG HIS A 66 -8.758 -12.002 -14.376 1.00 0.00 C ATOM 1064 ND1 HIS A 66 -7.512 -11.912 -14.961 1.00 0.00 N ATOM 1065 CD2 HIS A 66 -9.486 -12.820 -15.171 1.00 0.00 C ATOM 1066 CE1 HIS A 66 -7.491 -12.642 -16.062 1.00 0.00 C ATOM 1067 NE2 HIS A 66 -8.677 -13.204 -16.211 1.00 0.00 N ATOM 0 H HIS A 66 -8.520 -13.052 -11.463 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.038 -10.932 -12.693 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.926 -11.833 -12.615 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.500 -10.301 -13.352 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -10.513 -13.116 -15.016 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.648 -12.759 -16.727 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -8.948 -13.823 -16.975 1.00 0.00 H new ATOM 1076 N LEU A 67 -9.233 -10.134 -10.343 1.00 0.00 N ATOM 1077 CA LEU A 67 -9.586 -9.096 -9.380 1.00 0.00 C ATOM 1078 C LEU A 67 -8.424 -8.804 -8.437 1.00 0.00 C ATOM 1079 O LEU A 67 -8.268 -7.680 -7.958 1.00 0.00 O ATOM 1080 CB LEU A 67 -10.819 -9.514 -8.575 1.00 0.00 C ATOM 1081 CG LEU A 67 -10.721 -10.883 -7.898 1.00 0.00 C ATOM 1082 CD1 LEU A 67 -10.075 -10.756 -6.528 1.00 0.00 C ATOM 1083 CD2 LEU A 67 -12.097 -11.519 -7.785 1.00 0.00 C ATOM 0 H LEU A 67 -9.835 -10.957 -10.316 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.814 -8.186 -9.936 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -11.006 -8.761 -7.810 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -11.683 -9.516 -9.239 1.00 0.00 H new ATOM 0 HG LEU A 67 -10.094 -11.528 -8.513 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.014 -11.739 -6.062 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.072 -10.342 -6.635 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.675 -10.095 -5.903 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -12.010 -12.492 -7.301 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -12.747 -10.876 -7.192 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -12.522 -11.646 -8.781 1.00 0.00 H new ATOM 1095 N LEU A 68 -7.611 -9.821 -8.172 1.00 0.00 N ATOM 1096 CA LEU A 68 -6.463 -9.671 -7.284 1.00 0.00 C ATOM 1097 C LEU A 68 -5.444 -8.700 -7.871 1.00 0.00 C ATOM 1098 O LEU A 68 -4.807 -7.938 -7.144 1.00 0.00 O ATOM 1099 CB LEU A 68 -5.806 -11.029 -7.031 1.00 0.00 C ATOM 1100 CG LEU A 68 -5.235 -11.220 -5.625 1.00 0.00 C ATOM 1101 CD1 LEU A 68 -6.291 -11.796 -4.695 1.00 0.00 C ATOM 1102 CD2 LEU A 68 -4.009 -12.119 -5.667 1.00 0.00 C ATOM 0 H LEU A 68 -7.725 -10.758 -8.559 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.819 -9.266 -6.337 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.541 -11.812 -7.217 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.003 -11.167 -7.755 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.933 -10.246 -5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.867 -11.925 -3.699 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.140 -11.115 -4.642 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.624 -12.762 -5.076 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.615 -12.245 -4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.285 -13.092 -6.072 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.247 -11.665 -6.300 1.00 0.00 H new ATOM 1114 N ALA A 69 -5.293 -8.733 -9.192 1.00 0.00 N ATOM 1115 CA ALA A 69 -4.351 -7.857 -9.877 1.00 0.00 C ATOM 1116 C ALA A 69 -4.726 -6.391 -9.692 1.00 0.00 C ATOM 1117 O ALA A 69 -3.864 -5.541 -9.474 1.00 0.00 O ATOM 1118 CB ALA A 69 -4.286 -8.206 -11.356 1.00 0.00 C ATOM 0 H ALA A 69 -5.812 -9.358 -9.809 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.366 -8.009 -9.435 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.579 -7.544 -11.855 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.960 -9.240 -11.472 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.273 -8.085 -11.802 1.00 0.00 H new ATOM 1124 N GLU A 70 -6.021 -6.101 -9.784 1.00 0.00 N ATOM 1125 CA GLU A 70 -6.512 -4.736 -9.628 1.00 0.00 C ATOM 1126 C GLU A 70 -6.134 -4.173 -8.261 1.00 0.00 C ATOM 1127 O GLU A 70 -5.671 -3.038 -8.154 1.00 0.00 O ATOM 1128 CB GLU A 70 -8.031 -4.696 -9.806 1.00 0.00 C ATOM 1129 CG GLU A 70 -8.528 -3.445 -10.512 1.00 0.00 C ATOM 1130 CD GLU A 70 -9.624 -3.738 -11.517 1.00 0.00 C ATOM 1131 OE1 GLU A 70 -9.306 -4.258 -12.607 1.00 0.00 O ATOM 1132 OE2 GLU A 70 -10.801 -3.448 -11.214 1.00 0.00 O ATOM 0 H GLU A 70 -6.748 -6.793 -9.966 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.045 -4.119 -10.396 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.345 -5.572 -10.373 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.505 -4.763 -8.827 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.900 -2.738 -9.771 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.693 -2.964 -11.021 1.00 0.00 H new ATOM 1139 N LYS A 71 -6.334 -4.973 -7.219 1.00 0.00 N ATOM 1140 CA LYS A 71 -6.014 -4.551 -5.860 1.00 0.00 C ATOM 1141 C LYS A 71 -4.518 -4.288 -5.711 1.00 0.00 C ATOM 1142 O LYS A 71 -4.107 -3.199 -5.311 1.00 0.00 O ATOM 1143 CB LYS A 71 -6.462 -5.615 -4.854 1.00 0.00 C ATOM 1144 CG LYS A 71 -7.817 -5.328 -4.231 1.00 0.00 C ATOM 1145 CD LYS A 71 -7.683 -4.504 -2.960 1.00 0.00 C ATOM 1146 CE LYS A 71 -7.882 -3.022 -3.233 1.00 0.00 C ATOM 1147 NZ LYS A 71 -9.275 -2.717 -3.662 1.00 0.00 N ATOM 0 H LYS A 71 -6.716 -5.916 -7.289 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.549 -3.623 -5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.498 -6.583 -5.353 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.716 -5.692 -4.063 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.442 -4.795 -4.947 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.321 -6.268 -4.005 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -8.416 -4.842 -2.227 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.698 -4.665 -2.523 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.647 -2.453 -2.334 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.185 -2.699 -4.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.499 -1.727 -3.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.363 -2.866 -4.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.937 -3.345 -3.163 1.00 0.00 H new ATOM 1161 N ILE A 72 -3.711 -5.291 -6.036 1.00 0.00 N ATOM 1162 CA ILE A 72 -2.261 -5.164 -5.939 1.00 0.00 C ATOM 1163 C ILE A 72 -1.751 -4.052 -6.849 1.00 0.00 C ATOM 1164 O ILE A 72 -0.748 -3.402 -6.551 1.00 0.00 O ATOM 1165 CB ILE A 72 -1.554 -6.483 -6.309 1.00 0.00 C ATOM 1166 CG1 ILE A 72 -2.154 -7.651 -5.522 1.00 0.00 C ATOM 1167 CG2 ILE A 72 -0.058 -6.377 -6.049 1.00 0.00 C ATOM 1168 CD1 ILE A 72 -2.358 -8.899 -6.353 1.00 0.00 C ATOM 0 H ILE A 72 -4.035 -6.199 -6.368 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.030 -4.919 -4.902 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.706 -6.670 -7.372 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.500 -7.886 -4.682 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.112 -7.342 -5.103 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.425 -7.317 -6.316 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.360 -5.570 -6.652 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.114 -6.168 -4.993 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.786 -9.685 -5.730 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.036 -8.680 -7.178 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.399 -9.232 -6.750 1.00 0.00 H new ATOM 1180 N TYR A 73 -2.450 -3.839 -7.958 1.00 0.00 N ATOM 1181 CA TYR A 73 -2.073 -2.805 -8.914 1.00 0.00 C ATOM 1182 C TYR A 73 -2.438 -1.418 -8.387 1.00 0.00 C ATOM 1183 O TYR A 73 -1.578 -0.545 -8.264 1.00 0.00 O ATOM 1184 CB TYR A 73 -2.762 -3.064 -10.261 1.00 0.00 C ATOM 1185 CG TYR A 73 -2.807 -1.859 -11.178 1.00 0.00 C ATOM 1186 CD1 TYR A 73 -1.666 -1.416 -11.833 1.00 0.00 C ATOM 1187 CD2 TYR A 73 -3.993 -1.168 -11.384 1.00 0.00 C ATOM 1188 CE1 TYR A 73 -1.705 -0.316 -12.669 1.00 0.00 C ATOM 1189 CE2 TYR A 73 -4.042 -0.068 -12.218 1.00 0.00 C ATOM 1190 CZ TYR A 73 -2.896 0.354 -12.859 1.00 0.00 C ATOM 1191 OH TYR A 73 -2.940 1.450 -13.690 1.00 0.00 O ATOM 0 H TYR A 73 -3.282 -4.369 -8.217 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.993 -2.839 -9.055 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -2.243 -3.876 -10.771 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.781 -3.404 -10.076 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -0.733 -1.939 -11.687 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.892 -1.496 -10.884 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.808 0.017 -13.171 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -4.973 0.459 -12.367 1.00 0.00 H new ATOM 0 HH TYR A 73 -3.853 1.805 -13.715 1.00 0.00 H new ATOM 1201 N LYS A 74 -3.716 -1.224 -8.081 1.00 0.00 N ATOM 1202 CA LYS A 74 -4.196 0.056 -7.571 1.00 0.00 C ATOM 1203 C LYS A 74 -3.461 0.448 -6.291 1.00 0.00 C ATOM 1204 O LYS A 74 -2.993 1.579 -6.154 1.00 0.00 O ATOM 1205 CB LYS A 74 -5.702 -0.007 -7.313 1.00 0.00 C ATOM 1206 CG LYS A 74 -6.538 0.574 -8.442 1.00 0.00 C ATOM 1207 CD LYS A 74 -6.866 2.037 -8.195 1.00 0.00 C ATOM 1208 CE LYS A 74 -7.440 2.698 -9.438 1.00 0.00 C ATOM 1209 NZ LYS A 74 -8.768 2.134 -9.804 1.00 0.00 N ATOM 0 H LYS A 74 -4.439 -1.937 -8.177 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.996 0.816 -8.326 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.992 -1.046 -7.155 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.927 0.530 -6.392 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.999 0.475 -9.384 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.462 0.005 -8.542 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.581 2.117 -7.376 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.965 2.565 -7.884 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.536 3.770 -9.268 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.748 2.568 -10.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.125 2.611 -10.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.673 1.116 -9.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.435 2.281 -9.020 1.00 0.00 H new ATOM 1223 N ILE A 75 -3.365 -0.492 -5.356 1.00 0.00 N ATOM 1224 CA ILE A 75 -2.688 -0.240 -4.089 1.00 0.00 C ATOM 1225 C ILE A 75 -1.209 0.069 -4.306 1.00 0.00 C ATOM 1226 O ILE A 75 -0.601 0.808 -3.533 1.00 0.00 O ATOM 1227 CB ILE A 75 -2.818 -1.443 -3.132 1.00 0.00 C ATOM 1228 CG1 ILE A 75 -4.290 -1.822 -2.952 1.00 0.00 C ATOM 1229 CG2 ILE A 75 -2.182 -1.126 -1.786 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -4.498 -3.278 -2.594 1.00 0.00 C ATOM 0 H ILE A 75 -3.747 -1.433 -5.452 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.173 0.626 -3.638 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.291 -2.291 -3.569 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -4.725 -1.198 -2.171 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.829 -1.602 -3.873 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.283 -1.986 -1.124 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.125 -0.899 -1.927 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.681 -0.265 -1.341 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.564 -3.476 -2.482 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.093 -3.909 -3.385 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.987 -3.499 -1.657 1.00 0.00 H new ATOM 1242 N GLN A 76 -0.638 -0.501 -5.362 1.00 0.00 N ATOM 1243 CA GLN A 76 0.769 -0.284 -5.678 1.00 0.00 C ATOM 1244 C GLN A 76 1.020 1.170 -6.070 1.00 0.00 C ATOM 1245 O GLN A 76 1.921 1.819 -5.538 1.00 0.00 O ATOM 1246 CB GLN A 76 1.210 -1.215 -6.811 1.00 0.00 C ATOM 1247 CG GLN A 76 2.028 -2.405 -6.335 1.00 0.00 C ATOM 1248 CD GLN A 76 2.765 -3.094 -7.467 1.00 0.00 C ATOM 1249 OE1 GLN A 76 2.290 -4.273 -7.851 1.00 0.00 O flip ATOM 1250 NE2 GLN A 76 3.750 -2.573 -7.990 1.00 0.00 N flip ATOM 0 H GLN A 76 -1.127 -1.116 -6.013 1.00 0.00 H new ATOM 0 HA GLN A 76 1.355 -0.508 -4.786 1.00 0.00 H new ATOM 0 HB2 GLN A 76 0.327 -1.578 -7.337 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.797 -0.645 -7.531 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.748 -2.071 -5.587 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.369 -3.122 -5.845 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.081 -1.665 -7.663 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.235 -3.049 -8.750 1.00 0.00 H new ATOM 1259 N LYS A 77 0.218 1.672 -7.002 1.00 0.00 N ATOM 1260 CA LYS A 77 0.353 3.048 -7.466 1.00 0.00 C ATOM 1261 C LYS A 77 -0.246 4.025 -6.458 1.00 0.00 C ATOM 1262 O LYS A 77 0.215 5.158 -6.327 1.00 0.00 O ATOM 1263 CB LYS A 77 -0.328 3.219 -8.824 1.00 0.00 C ATOM 1264 CG LYS A 77 -1.826 2.960 -8.792 1.00 0.00 C ATOM 1265 CD LYS A 77 -2.358 2.591 -10.167 1.00 0.00 C ATOM 1266 CE LYS A 77 -3.856 2.826 -10.267 1.00 0.00 C ATOM 1267 NZ LYS A 77 -4.178 4.259 -10.512 1.00 0.00 N ATOM 0 H LYS A 77 -0.532 1.147 -7.451 1.00 0.00 H new ATOM 0 HA LYS A 77 1.416 3.267 -7.569 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.151 4.232 -9.185 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.134 2.540 -9.541 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.042 2.155 -8.089 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.342 3.848 -8.428 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.845 3.180 -10.927 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.139 1.544 -10.374 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -4.266 2.219 -11.074 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.337 2.498 -9.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.209 4.377 -10.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.810 4.836 -9.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.740 4.566 -11.404 1.00 0.00 H new ATOM 1281 N GLU A 78 -1.277 3.577 -5.748 1.00 0.00 N ATOM 1282 CA GLU A 78 -1.940 4.412 -4.753 1.00 0.00 C ATOM 1283 C GLU A 78 -0.970 4.816 -3.647 1.00 0.00 C ATOM 1284 O GLU A 78 -1.098 5.891 -3.060 1.00 0.00 O ATOM 1285 CB GLU A 78 -3.136 3.670 -4.152 1.00 0.00 C ATOM 1286 CG GLU A 78 -4.436 3.898 -4.906 1.00 0.00 C ATOM 1287 CD GLU A 78 -5.599 3.131 -4.309 1.00 0.00 C ATOM 1288 OE1 GLU A 78 -5.778 1.949 -4.670 1.00 0.00 O ATOM 1289 OE2 GLU A 78 -6.331 3.712 -3.480 1.00 0.00 O ATOM 0 H GLU A 78 -1.671 2.641 -5.843 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.292 5.316 -5.250 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.919 2.602 -4.134 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.266 3.986 -3.117 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.670 4.963 -4.906 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.305 3.600 -5.946 1.00 0.00 H new ATOM 1296 N LEU A 79 -0.003 3.949 -3.368 1.00 0.00 N ATOM 1297 CA LEU A 79 0.988 4.215 -2.332 1.00 0.00 C ATOM 1298 C LEU A 79 1.763 5.494 -2.633 1.00 0.00 C ATOM 1299 O LEU A 79 2.199 6.197 -1.722 1.00 0.00 O ATOM 1300 CB LEU A 79 1.956 3.037 -2.207 1.00 0.00 C ATOM 1301 CG LEU A 79 3.055 3.210 -1.158 1.00 0.00 C ATOM 1302 CD1 LEU A 79 2.566 2.754 0.207 1.00 0.00 C ATOM 1303 CD2 LEU A 79 4.303 2.441 -1.564 1.00 0.00 C ATOM 0 H LEU A 79 0.116 3.055 -3.845 1.00 0.00 H new ATOM 0 HA LEU A 79 0.461 4.345 -1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.384 2.141 -1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 79 2.424 2.867 -3.177 1.00 0.00 H new ATOM 0 HG LEU A 79 3.308 4.268 -1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.361 2.884 0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.701 3.348 0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 79 2.285 1.702 0.160 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.075 2.575 -0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.064 1.381 -1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.665 2.815 -2.522 1.00 0.00 H new ATOM 1315 N GLU A 80 1.934 5.789 -3.918 1.00 0.00 N ATOM 1316 CA GLU A 80 2.657 6.983 -4.339 1.00 0.00 C ATOM 1317 C GLU A 80 1.903 8.247 -3.940 1.00 0.00 C ATOM 1318 O GLU A 80 2.509 9.285 -3.673 1.00 0.00 O ATOM 1319 CB GLU A 80 2.878 6.963 -5.853 1.00 0.00 C ATOM 1320 CG GLU A 80 4.129 6.208 -6.275 1.00 0.00 C ATOM 1321 CD GLU A 80 3.880 4.724 -6.456 1.00 0.00 C ATOM 1322 OE1 GLU A 80 3.903 3.991 -5.445 1.00 0.00 O ATOM 1323 OE2 GLU A 80 3.664 4.294 -7.608 1.00 0.00 O ATOM 0 H GLU A 80 1.581 5.217 -4.686 1.00 0.00 H new ATOM 0 HA GLU A 80 3.624 6.987 -3.837 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.011 6.509 -6.333 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.943 7.989 -6.216 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.504 6.626 -7.209 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.907 6.354 -5.526 1.00 0.00 H new ATOM 1330 N GLU A 81 0.578 8.155 -3.904 1.00 0.00 N ATOM 1331 CA GLU A 81 -0.258 9.292 -3.540 1.00 0.00 C ATOM 1332 C GLU A 81 -0.150 9.592 -2.047 1.00 0.00 C ATOM 1333 O GLU A 81 -0.245 10.746 -1.628 1.00 0.00 O ATOM 1334 CB GLU A 81 -1.717 9.021 -3.912 1.00 0.00 C ATOM 1335 CG GLU A 81 -2.618 10.236 -3.767 1.00 0.00 C ATOM 1336 CD GLU A 81 -3.384 10.240 -2.460 1.00 0.00 C ATOM 1337 OE1 GLU A 81 -2.823 9.787 -1.440 1.00 0.00 O ATOM 1338 OE2 GLU A 81 -4.547 10.699 -2.453 1.00 0.00 O ATOM 0 H GLU A 81 0.060 7.304 -4.123 1.00 0.00 H new ATOM 0 HA GLU A 81 0.096 10.161 -4.094 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.761 8.668 -4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.100 8.218 -3.283 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.015 11.141 -3.833 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.323 10.262 -4.598 1.00 0.00 H new ATOM 1345 N LYS A 82 0.046 8.548 -1.250 1.00 0.00 N ATOM 1346 CA LYS A 82 0.166 8.699 0.195 1.00 0.00 C ATOM 1347 C LYS A 82 1.418 9.492 0.558 1.00 0.00 C ATOM 1348 O LYS A 82 1.399 10.319 1.469 1.00 0.00 O ATOM 1349 CB LYS A 82 0.201 7.328 0.872 1.00 0.00 C ATOM 1350 CG LYS A 82 -1.170 6.825 1.299 1.00 0.00 C ATOM 1351 CD LYS A 82 -1.432 7.107 2.770 1.00 0.00 C ATOM 1352 CE LYS A 82 -2.172 8.421 2.961 1.00 0.00 C ATOM 1353 NZ LYS A 82 -1.247 9.534 3.311 1.00 0.00 N ATOM 0 H LYS A 82 0.125 7.586 -1.581 1.00 0.00 H new ATOM 0 HA LYS A 82 -0.705 9.249 0.551 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.647 6.606 0.188 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.848 7.381 1.747 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -1.939 7.303 0.693 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.239 5.753 1.115 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.016 6.293 3.199 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.486 7.139 3.310 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -2.710 8.671 2.047 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.917 8.307 3.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.730 10.444 3.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.960 9.446 4.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.405 9.490 2.702 1.00 0.00 H new ATOM 1546 N GLU B 94 -7.944 3.579 8.123 1.00 0.00 N ATOM 1547 CA GLU B 94 -6.709 2.873 8.444 1.00 0.00 C ATOM 1548 C GLU B 94 -5.885 2.618 7.186 1.00 0.00 C ATOM 1549 O GLU B 94 -4.658 2.536 7.243 1.00 0.00 O ATOM 1550 CB GLU B 94 -7.020 1.548 9.142 1.00 0.00 C ATOM 1551 CG GLU B 94 -7.629 1.717 10.524 1.00 0.00 C ATOM 1552 CD GLU B 94 -7.941 0.391 11.190 1.00 0.00 C ATOM 1553 OE1 GLU B 94 -8.065 -0.621 10.468 1.00 0.00 O ATOM 1554 OE2 GLU B 94 -8.060 0.364 12.433 1.00 0.00 O ATOM 0 HA GLU B 94 -6.126 3.501 9.117 1.00 0.00 H new ATOM 0 HB2 GLU B 94 -7.705 0.971 8.520 1.00 0.00 H new ATOM 0 HB3 GLU B 94 -6.101 0.967 9.227 1.00 0.00 H new ATOM 0 HG2 GLU B 94 -6.942 2.282 11.153 1.00 0.00 H new ATOM 0 HG3 GLU B 94 -8.544 2.304 10.444 1.00 0.00 H new ATOM 1561 N LEU B 95 -6.566 2.494 6.051 1.00 0.00 N ATOM 1562 CA LEU B 95 -5.894 2.251 4.779 1.00 0.00 C ATOM 1563 C LEU B 95 -4.842 3.322 4.508 1.00 0.00 C ATOM 1564 O LEU B 95 -3.805 3.050 3.902 1.00 0.00 O ATOM 1565 CB LEU B 95 -6.912 2.218 3.637 1.00 0.00 C ATOM 1566 CG LEU B 95 -6.315 2.018 2.244 1.00 0.00 C ATOM 1567 CD1 LEU B 95 -7.329 1.368 1.317 1.00 0.00 C ATOM 1568 CD2 LEU B 95 -5.842 3.346 1.672 1.00 0.00 C ATOM 0 H LEU B 95 -7.582 2.558 5.986 1.00 0.00 H new ATOM 0 HA LEU B 95 -5.396 1.283 4.839 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -7.625 1.416 3.829 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -7.474 3.152 3.644 1.00 0.00 H new ATOM 0 HG LEU B 95 -5.455 1.354 2.330 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -6.886 1.234 0.330 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -7.620 0.398 1.719 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -8.209 2.006 1.236 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -5.420 3.185 0.680 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -6.686 4.032 1.600 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -5.081 3.773 2.325 1.00 0.00 H new ATOM 1580 N SER B 96 -5.115 4.539 4.965 1.00 0.00 N ATOM 1581 CA SER B 96 -4.194 5.652 4.776 1.00 0.00 C ATOM 1582 C SER B 96 -3.041 5.575 5.772 1.00 0.00 C ATOM 1583 O SER B 96 -1.909 5.944 5.456 1.00 0.00 O ATOM 1584 CB SER B 96 -4.929 6.984 4.932 1.00 0.00 C ATOM 1585 OG SER B 96 -5.428 7.441 3.687 1.00 0.00 O ATOM 0 H SER B 96 -5.968 4.779 5.470 1.00 0.00 H new ATOM 0 HA SER B 96 -3.787 5.587 3.767 1.00 0.00 H new ATOM 0 HB2 SER B 96 -5.752 6.868 5.637 1.00 0.00 H new ATOM 0 HB3 SER B 96 -4.253 7.729 5.352 1.00 0.00 H new ATOM 0 HG SER B 96 -5.895 8.293 3.815 1.00 0.00 H new ATOM 1591 N ASP B 97 -3.335 5.093 6.975 1.00 0.00 N ATOM 1592 CA ASP B 97 -2.322 4.967 8.017 1.00 0.00 C ATOM 1593 C ASP B 97 -1.455 3.733 7.786 1.00 0.00 C ATOM 1594 O ASP B 97 -0.275 3.717 8.137 1.00 0.00 O ATOM 1595 CB ASP B 97 -2.985 4.889 9.394 1.00 0.00 C ATOM 1596 CG ASP B 97 -2.080 5.396 10.499 1.00 0.00 C ATOM 1597 OD1 ASP B 97 -0.847 5.225 10.384 1.00 0.00 O ATOM 1598 OD2 ASP B 97 -2.603 5.963 11.481 1.00 0.00 O ATOM 0 H ASP B 97 -4.266 4.783 7.253 1.00 0.00 H new ATOM 0 HA ASP B 97 -1.684 5.850 7.978 1.00 0.00 H new ATOM 0 HB2 ASP B 97 -3.905 5.473 9.385 1.00 0.00 H new ATOM 0 HB3 ASP B 97 -3.265 3.856 9.602 1.00 0.00 H new ATOM 1603 N LEU B 98 -2.048 2.702 7.194 1.00 0.00 N ATOM 1604 CA LEU B 98 -1.330 1.463 6.917 1.00 0.00 C ATOM 1605 C LEU B 98 -0.377 1.638 5.738 1.00 0.00 C ATOM 1606 O LEU B 98 0.706 1.052 5.709 1.00 0.00 O ATOM 1607 CB LEU B 98 -2.318 0.331 6.626 1.00 0.00 C ATOM 1608 CG LEU B 98 -1.711 -1.073 6.617 1.00 0.00 C ATOM 1609 CD1 LEU B 98 -1.554 -1.596 8.035 1.00 0.00 C ATOM 1610 CD2 LEU B 98 -2.569 -2.017 5.789 1.00 0.00 C ATOM 0 H LEU B 98 -3.024 2.700 6.897 1.00 0.00 H new ATOM 0 HA LEU B 98 -0.744 1.207 7.799 1.00 0.00 H new ATOM 0 HB2 LEU B 98 -3.112 0.362 7.372 1.00 0.00 H new ATOM 0 HB3 LEU B 98 -2.783 0.515 5.658 1.00 0.00 H new ATOM 0 HG LEU B 98 -0.722 -1.019 6.162 1.00 0.00 H new ATOM 0 HD11 LEU B 98 -1.121 -2.596 8.008 1.00 0.00 H new ATOM 0 HD12 LEU B 98 -0.898 -0.931 8.597 1.00 0.00 H new ATOM 0 HD13 LEU B 98 -2.530 -1.636 8.518 1.00 0.00 H new ATOM 0 HD21 LEU B 98 -2.123 -3.012 5.793 1.00 0.00 H new ATOM 0 HD22 LEU B 98 -3.571 -2.067 6.216 1.00 0.00 H new ATOM 0 HD23 LEU B 98 -2.629 -1.650 4.764 1.00 0.00 H new ATOM 1622 N LEU B 99 -0.787 2.447 4.767 1.00 0.00 N ATOM 1623 CA LEU B 99 0.029 2.699 3.585 1.00 0.00 C ATOM 1624 C LEU B 99 1.112 3.735 3.878 1.00 0.00 C ATOM 1625 O LEU B 99 2.182 3.716 3.272 1.00 0.00 O ATOM 1626 CB LEU B 99 -0.850 3.171 2.424 1.00 0.00 C ATOM 1627 CG LEU B 99 -0.778 2.307 1.164 1.00 0.00 C ATOM 1628 CD1 LEU B 99 -1.612 1.046 1.334 1.00 0.00 C ATOM 1629 CD2 LEU B 99 -1.244 3.097 -0.050 1.00 0.00 C ATOM 0 H LEU B 99 -1.680 2.940 4.775 1.00 0.00 H new ATOM 0 HA LEU B 99 0.516 1.765 3.305 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -1.885 3.206 2.763 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -0.565 4.190 2.164 1.00 0.00 H new ATOM 0 HG LEU B 99 0.260 2.013 1.006 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -1.549 0.443 0.428 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -1.234 0.471 2.179 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -2.651 1.319 1.517 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -1.186 2.467 -0.938 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -2.274 3.420 0.100 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -0.606 3.970 -0.183 1.00 0.00 H new ATOM 1641 N ASP B 100 0.825 4.637 4.812 1.00 0.00 N ATOM 1642 CA ASP B 100 1.774 5.680 5.185 1.00 0.00 C ATOM 1643 C ASP B 100 3.094 5.077 5.655 1.00 0.00 C ATOM 1644 O ASP B 100 4.167 5.484 5.211 1.00 0.00 O ATOM 1645 CB ASP B 100 1.184 6.564 6.286 1.00 0.00 C ATOM 1646 CG ASP B 100 1.751 7.970 6.264 1.00 0.00 C ATOM 1647 OD1 ASP B 100 1.531 8.683 5.263 1.00 0.00 O ATOM 1648 OD2 ASP B 100 2.416 8.357 7.248 1.00 0.00 O ATOM 0 H ASP B 100 -0.057 4.666 5.324 1.00 0.00 H new ATOM 0 HA ASP B 100 1.969 6.289 4.302 1.00 0.00 H new ATOM 0 HB2 ASP B 100 0.101 6.610 6.170 1.00 0.00 H new ATOM 0 HB3 ASP B 100 1.382 6.111 7.257 1.00 0.00 H new ATOM 1653 N PHE B 101 3.006 4.104 6.556 1.00 0.00 N ATOM 1654 CA PHE B 101 4.194 3.443 7.086 1.00 0.00 C ATOM 1655 C PHE B 101 4.995 2.785 5.968 1.00 0.00 C ATOM 1656 O PHE B 101 6.221 2.686 6.043 1.00 0.00 O ATOM 1657 CB PHE B 101 3.797 2.397 8.130 1.00 0.00 C ATOM 1658 CG PHE B 101 4.969 1.697 8.755 1.00 0.00 C ATOM 1659 CD1 PHE B 101 5.651 0.707 8.064 1.00 0.00 C ATOM 1660 CD2 PHE B 101 5.390 2.027 10.034 1.00 0.00 C ATOM 1661 CE1 PHE B 101 6.730 0.060 8.637 1.00 0.00 C ATOM 1662 CE2 PHE B 101 6.467 1.382 10.612 1.00 0.00 C ATOM 1663 CZ PHE B 101 7.138 0.398 9.912 1.00 0.00 C ATOM 0 H PHE B 101 2.125 3.756 6.934 1.00 0.00 H new ATOM 0 HA PHE B 101 4.820 4.199 7.559 1.00 0.00 H new ATOM 0 HB2 PHE B 101 3.213 2.881 8.913 1.00 0.00 H new ATOM 0 HB3 PHE B 101 3.149 1.656 7.662 1.00 0.00 H new ATOM 0 HD1 PHE B 101 5.336 0.438 7.067 1.00 0.00 H new ATOM 0 HD2 PHE B 101 4.870 2.797 10.585 1.00 0.00 H new ATOM 0 HE1 PHE B 101 7.253 -0.709 8.088 1.00 0.00 H new ATOM 0 HE2 PHE B 101 6.784 1.647 11.610 1.00 0.00 H new ATOM 0 HZ PHE B 101 7.981 -0.106 10.362 1.00 0.00 H new ATOM 1673 N SER B 102 4.296 2.335 4.931 1.00 0.00 N ATOM 1674 CA SER B 102 4.944 1.686 3.797 1.00 0.00 C ATOM 1675 C SER B 102 5.522 2.720 2.836 1.00 0.00 C ATOM 1676 O SER B 102 6.536 2.476 2.182 1.00 0.00 O ATOM 1677 CB SER B 102 3.950 0.788 3.060 1.00 0.00 C ATOM 1678 OG SER B 102 3.039 0.187 3.964 1.00 0.00 O ATOM 0 H SER B 102 3.282 2.408 4.852 1.00 0.00 H new ATOM 0 HA SER B 102 5.761 1.074 4.179 1.00 0.00 H new ATOM 0 HB2 SER B 102 3.402 1.375 2.323 1.00 0.00 H new ATOM 0 HB3 SER B 102 4.490 0.014 2.514 1.00 0.00 H new ATOM 0 HG SER B 102 3.117 -0.788 3.907 1.00 0.00 H new ATOM 1684 N ALA B 103 4.869 3.875 2.755 1.00 0.00 N ATOM 1685 CA ALA B 103 5.319 4.947 1.874 1.00 0.00 C ATOM 1686 C ALA B 103 6.460 5.736 2.507 1.00 0.00 C ATOM 1687 O ALA B 103 7.329 6.256 1.809 1.00 0.00 O ATOM 1688 CB ALA B 103 4.159 5.871 1.536 1.00 0.00 C ATOM 0 H ALA B 103 4.027 4.092 3.288 1.00 0.00 H new ATOM 0 HA ALA B 103 5.692 4.497 0.954 1.00 0.00 H new ATOM 0 HB1 ALA B 103 4.508 6.667 0.878 1.00 0.00 H new ATOM 0 HB2 ALA B 103 3.375 5.303 1.035 1.00 0.00 H new ATOM 0 HB3 ALA B 103 3.761 6.306 2.453 1.00 0.00 H new ATOM 1694 N MET B 104 6.449 5.820 3.834 1.00 0.00 N ATOM 1695 CA MET B 104 7.484 6.545 4.561 1.00 0.00 C ATOM 1696 C MET B 104 8.861 5.948 4.290 1.00 0.00 C ATOM 1697 O MET B 104 9.867 6.656 4.292 1.00 0.00 O ATOM 1698 CB MET B 104 7.191 6.522 6.063 1.00 0.00 C ATOM 1699 CG MET B 104 7.629 7.785 6.787 1.00 0.00 C ATOM 1700 SD MET B 104 6.854 7.960 8.406 1.00 0.00 S ATOM 1701 CE MET B 104 8.217 7.521 9.482 1.00 0.00 C ATOM 0 H MET B 104 5.736 5.395 4.426 1.00 0.00 H new ATOM 0 HA MET B 104 7.482 7.578 4.212 1.00 0.00 H new ATOM 0 HB2 MET B 104 6.121 6.379 6.214 1.00 0.00 H new ATOM 0 HB3 MET B 104 7.693 5.664 6.510 1.00 0.00 H new ATOM 0 HG2 MET B 104 8.712 7.774 6.906 1.00 0.00 H new ATOM 0 HG3 MET B 104 7.384 8.653 6.175 1.00 0.00 H new ATOM 0 HE1 MET B 104 7.894 7.582 10.521 1.00 0.00 H new ATOM 0 HE2 MET B 104 8.542 6.504 9.262 1.00 0.00 H new ATOM 0 HE3 MET B 104 9.046 8.210 9.319 1.00 0.00 H new