USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 741 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 65 HIS : no HD1:sc= 1.59 K(o=2.2,f=-6.8!) USER MOD Set 1.2: B 95 THR OG1 : rot -45:sc= 0.573 USER MOD Set 2.1: A 8 GLN : amide:sc= -0.755 K(o=1.1,f=-2.2!) USER MOD Set 2.2: A 10 CYS SG : rot 180:sc= 0.668 USER MOD Set 2.3: A 81 THR OG1 : rot -61:sc= 1.2 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.146 USER MOD Single : A 3 HIS : no HE2:sc= 0.219 K(o=0.22,f=-0.92) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -1.34 K(o=-1.3,f=-2.2!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0.3) USER MOD Single : A 23 THR OG1 : rot -63:sc= -0.274 USER MOD Single : A 25 SER OG : rot 180:sc= -1.35 USER MOD Single : A 28 ASN : amide:sc= -1.57 X(o=-1.6,f=-2!) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.188) USER MOD Single : A 42 MET CE :methyl -163:sc=-0.00692 (180deg=-0.265) USER MOD Single : A 47 GLN : amide:sc= -0.186 K(o=-0.19,f=-2.4!) USER MOD Single : A 48 THR OG1 : rot 13:sc= 1.19 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0.732 K(o=0.73,f=-6.4!) USER MOD Single : A 58 THR OG1 : rot -17:sc= 0.923 USER MOD Single : A 61 THR OG1 : rot 180:sc= -2.69! USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.175 K(o=-0.18,f=-1.8!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -19:sc= 1.14 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.859 K(o=-0.86,f=-2!) USER MOD Single : A 89 SER OG : rot 32:sc= 0.116 USER MOD Single : B 92 ASN : amide:sc= 0.162 K(o=0.16,f=-3.6!) USER MOD Single : B 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.583 7.315 -32.729 1.00 0.00 N ATOM 2 CA GLY A 1 11.154 6.032 -32.231 1.00 0.00 C ATOM 3 C GLY A 1 10.743 5.723 -30.802 1.00 0.00 C ATOM 4 O GLY A 1 9.565 5.491 -30.527 1.00 0.00 O ATOM 0 H1 GLY A 1 10.895 7.477 -33.708 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.545 7.267 -32.700 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.911 8.098 -32.127 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.832 5.219 -32.881 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.241 6.076 -32.291 1.00 0.00 H new ATOM 10 N SER A 2 11.719 5.717 -29.894 1.00 0.00 N ATOM 11 CA SER A 2 11.462 5.433 -28.483 1.00 0.00 C ATOM 12 C SER A 2 11.029 6.697 -27.734 1.00 0.00 C ATOM 13 O SER A 2 11.182 7.811 -28.238 1.00 0.00 O ATOM 14 CB SER A 2 12.713 4.833 -27.830 1.00 0.00 C ATOM 15 OG SER A 2 12.486 4.524 -26.466 1.00 0.00 O ATOM 0 H SER A 2 12.697 5.906 -30.112 1.00 0.00 H new ATOM 0 HA SER A 2 10.647 4.711 -28.425 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.007 3.930 -28.365 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.541 5.537 -27.912 1.00 0.00 H new ATOM 0 HG SER A 2 13.300 4.142 -26.077 1.00 0.00 H new ATOM 21 N HIS A 3 10.483 6.513 -26.528 1.00 0.00 N ATOM 22 CA HIS A 3 10.024 7.634 -25.708 1.00 0.00 C ATOM 23 C HIS A 3 10.223 7.351 -24.219 1.00 0.00 C ATOM 24 O HIS A 3 10.292 6.195 -23.800 1.00 0.00 O ATOM 25 CB HIS A 3 8.548 7.923 -25.992 1.00 0.00 C ATOM 26 CG HIS A 3 8.322 9.190 -26.759 1.00 0.00 C ATOM 27 ND1 HIS A 3 8.757 9.373 -28.055 1.00 0.00 N ATOM 28 CD2 HIS A 3 7.700 10.340 -26.406 1.00 0.00 C ATOM 29 CE1 HIS A 3 8.413 10.580 -28.466 1.00 0.00 C ATOM 30 NE2 HIS A 3 7.770 11.187 -27.486 1.00 0.00 N ATOM 0 H HIS A 3 10.349 5.597 -26.099 1.00 0.00 H new ATOM 0 HA HIS A 3 10.620 8.508 -25.969 1.00 0.00 H new ATOM 0 HB2 HIS A 3 8.124 7.089 -26.551 1.00 0.00 H new ATOM 0 HB3 HIS A 3 8.009 7.979 -25.046 1.00 0.00 H new ATOM 0 HD1 HIS A 3 9.265 8.684 -28.609 1.00 0.00 H new ATOM 0 HD2 HIS A 3 7.236 10.552 -25.454 1.00 0.00 H new ATOM 0 HE1 HIS A 3 8.622 10.999 -29.439 1.00 0.00 H new ATOM 39 N MET A 4 10.317 8.419 -23.423 1.00 0.00 N ATOM 40 CA MET A 4 10.512 8.291 -21.979 1.00 0.00 C ATOM 41 C MET A 4 9.252 8.681 -21.208 1.00 0.00 C ATOM 42 O MET A 4 8.391 9.396 -21.725 1.00 0.00 O ATOM 43 CB MET A 4 11.689 9.162 -21.526 1.00 0.00 C ATOM 44 CG MET A 4 12.438 8.605 -20.326 1.00 0.00 C ATOM 45 SD MET A 4 14.141 8.155 -20.715 1.00 0.00 S ATOM 46 CE MET A 4 14.385 6.769 -19.609 1.00 0.00 C ATOM 0 H MET A 4 10.261 9.382 -23.755 1.00 0.00 H new ATOM 0 HA MET A 4 10.730 7.245 -21.764 1.00 0.00 H new ATOM 0 HB2 MET A 4 12.386 9.276 -22.357 1.00 0.00 H new ATOM 0 HB3 MET A 4 11.319 10.158 -21.282 1.00 0.00 H new ATOM 0 HG2 MET A 4 12.436 9.345 -19.526 1.00 0.00 H new ATOM 0 HG3 MET A 4 11.912 7.728 -19.950 1.00 0.00 H new ATOM 0 HE1 MET A 4 15.395 6.379 -19.732 1.00 0.00 H new ATOM 0 HE2 MET A 4 14.245 7.097 -18.579 1.00 0.00 H new ATOM 0 HE3 MET A 4 13.663 5.986 -19.842 1.00 0.00 H new ATOM 56 N GLY A 5 9.157 8.210 -19.964 1.00 0.00 N ATOM 57 CA GLY A 5 8.006 8.520 -19.130 1.00 0.00 C ATOM 58 C GLY A 5 7.910 7.632 -17.899 1.00 0.00 C ATOM 59 O GLY A 5 6.828 7.144 -17.568 1.00 0.00 O ATOM 0 H GLY A 5 9.859 7.618 -19.519 1.00 0.00 H new ATOM 0 HA2 GLY A 5 8.061 9.562 -18.816 1.00 0.00 H new ATOM 0 HA3 GLY A 5 7.096 8.413 -19.721 1.00 0.00 H new ATOM 63 N LEU A 6 9.044 7.427 -17.219 1.00 0.00 N ATOM 64 CA LEU A 6 9.093 6.597 -16.015 1.00 0.00 C ATOM 65 C LEU A 6 8.643 5.159 -16.305 1.00 0.00 C ATOM 66 O LEU A 6 8.306 4.819 -17.442 1.00 0.00 O ATOM 67 CB LEU A 6 8.226 7.214 -14.910 1.00 0.00 C ATOM 68 CG LEU A 6 8.996 7.886 -13.767 1.00 0.00 C ATOM 69 CD1 LEU A 6 9.840 6.870 -13.012 1.00 0.00 C ATOM 70 CD2 LEU A 6 9.865 9.019 -14.297 1.00 0.00 C ATOM 0 H LEU A 6 9.943 7.828 -17.486 1.00 0.00 H new ATOM 0 HA LEU A 6 10.128 6.560 -15.677 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.563 7.952 -15.362 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.594 6.432 -14.489 1.00 0.00 H new ATOM 0 HG LEU A 6 8.270 8.308 -13.072 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.377 7.370 -12.206 1.00 0.00 H new ATOM 0 HD12 LEU A 6 9.193 6.099 -12.593 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.555 6.412 -13.695 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.403 9.482 -13.470 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.580 8.623 -15.018 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.235 9.764 -14.783 1.00 0.00 H new ATOM 82 N VAL A 7 8.648 4.317 -15.269 1.00 0.00 N ATOM 83 CA VAL A 7 8.248 2.920 -15.410 1.00 0.00 C ATOM 84 C VAL A 7 7.205 2.538 -14.357 1.00 0.00 C ATOM 85 O VAL A 7 7.475 2.594 -13.155 1.00 0.00 O ATOM 86 CB VAL A 7 9.461 1.969 -15.293 1.00 0.00 C ATOM 87 CG1 VAL A 7 9.064 0.542 -15.650 1.00 0.00 C ATOM 88 CG2 VAL A 7 10.607 2.444 -16.178 1.00 0.00 C ATOM 0 H VAL A 7 8.925 4.581 -14.324 1.00 0.00 H new ATOM 0 HA VAL A 7 7.812 2.814 -16.403 1.00 0.00 H new ATOM 0 HB VAL A 7 9.802 1.980 -14.258 1.00 0.00 H new ATOM 0 HG11 VAL A 7 9.933 -0.110 -15.561 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.283 0.201 -14.971 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.692 0.513 -16.674 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.450 1.760 -16.080 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.278 2.468 -17.217 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.913 3.444 -15.871 1.00 0.00 H new ATOM 98 N GLN A 8 6.016 2.151 -14.821 1.00 0.00 N ATOM 99 CA GLN A 8 4.924 1.758 -13.931 1.00 0.00 C ATOM 100 C GLN A 8 4.834 0.235 -13.821 1.00 0.00 C ATOM 101 O GLN A 8 4.948 -0.473 -14.823 1.00 0.00 O ATOM 102 CB GLN A 8 3.598 2.330 -14.444 1.00 0.00 C ATOM 103 CG GLN A 8 2.473 2.294 -13.421 1.00 0.00 C ATOM 104 CD GLN A 8 1.569 1.086 -13.589 1.00 0.00 C ATOM 105 OE1 GLN A 8 1.794 0.040 -12.982 1.00 0.00 O ATOM 106 NE2 GLN A 8 0.537 1.224 -14.415 1.00 0.00 N ATOM 0 H GLN A 8 5.785 2.101 -15.813 1.00 0.00 H new ATOM 0 HA GLN A 8 5.126 2.161 -12.939 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.756 3.361 -14.759 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.290 1.771 -15.328 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.899 2.287 -12.418 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.878 3.203 -13.509 1.00 0.00 H new ATOM 0 HE21 GLN A 8 0.386 2.109 -14.899 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.104 0.445 -14.565 1.00 0.00 H new ATOM 115 N ARG A 9 4.631 -0.262 -12.596 1.00 0.00 N ATOM 116 CA ARG A 9 4.530 -1.704 -12.357 1.00 0.00 C ATOM 117 C ARG A 9 3.509 -2.021 -11.257 1.00 0.00 C ATOM 118 O ARG A 9 3.345 -1.254 -10.306 1.00 0.00 O ATOM 119 CB ARG A 9 5.901 -2.280 -11.975 1.00 0.00 C ATOM 120 CG ARG A 9 7.038 -1.815 -12.876 1.00 0.00 C ATOM 121 CD ARG A 9 8.390 -2.281 -12.359 1.00 0.00 C ATOM 122 NE ARG A 9 9.017 -1.290 -11.483 1.00 0.00 N ATOM 123 CZ ARG A 9 9.996 -1.570 -10.618 1.00 0.00 C ATOM 124 NH1 ARG A 9 10.468 -2.809 -10.512 1.00 0.00 N ATOM 125 NH2 ARG A 9 10.503 -0.607 -9.857 1.00 0.00 N ATOM 0 H ARG A 9 4.534 0.311 -11.758 1.00 0.00 H new ATOM 0 HA ARG A 9 4.188 -2.168 -13.282 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.128 -2.000 -10.946 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.848 -3.368 -12.005 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.883 -2.197 -13.885 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.029 -0.727 -12.942 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.266 -3.218 -11.815 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.049 -2.487 -13.203 1.00 0.00 H new ATOM 0 HE ARG A 9 8.686 -0.327 -11.536 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.082 -3.553 -11.093 1.00 0.00 H new ATOM 0 HH12 ARG A 9 11.216 -3.015 -9.849 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.145 0.345 -9.933 1.00 0.00 H new ATOM 0 HH22 ARG A 9 11.250 -0.819 -9.196 1.00 0.00 H new ATOM 139 N CYS A 10 2.832 -3.164 -11.392 1.00 0.00 N ATOM 140 CA CYS A 10 1.833 -3.591 -10.412 1.00 0.00 C ATOM 141 C CYS A 10 2.380 -4.715 -9.532 1.00 0.00 C ATOM 142 O CYS A 10 2.781 -5.767 -10.036 1.00 0.00 O ATOM 143 CB CYS A 10 0.559 -4.064 -11.119 1.00 0.00 C ATOM 144 SG CYS A 10 -0.354 -2.748 -11.958 1.00 0.00 S ATOM 0 H CYS A 10 2.958 -3.810 -12.171 1.00 0.00 H new ATOM 0 HA CYS A 10 1.595 -2.735 -9.780 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.824 -4.829 -11.849 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.096 -4.536 -10.386 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.411 -3.247 -12.526 1.00 0.00 H new ATOM 150 N VAL A 11 2.389 -4.492 -8.217 1.00 0.00 N ATOM 151 CA VAL A 11 2.882 -5.495 -7.270 1.00 0.00 C ATOM 152 C VAL A 11 1.736 -6.086 -6.448 1.00 0.00 C ATOM 153 O VAL A 11 0.927 -5.352 -5.879 1.00 0.00 O ATOM 154 CB VAL A 11 3.945 -4.909 -6.310 1.00 0.00 C ATOM 155 CG1 VAL A 11 5.216 -4.557 -7.067 1.00 0.00 C ATOM 156 CG2 VAL A 11 3.401 -3.692 -5.571 1.00 0.00 C ATOM 0 H VAL A 11 2.062 -3.629 -7.784 1.00 0.00 H new ATOM 0 HA VAL A 11 3.346 -6.282 -7.865 1.00 0.00 H new ATOM 0 HB VAL A 11 4.188 -5.671 -5.569 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.950 -4.147 -6.374 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.621 -5.454 -7.535 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.989 -3.818 -7.835 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.168 -3.299 -4.903 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.120 -2.924 -6.292 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.526 -3.981 -4.989 1.00 0.00 H new ATOM 166 N ILE A 12 1.671 -7.416 -6.391 1.00 0.00 N ATOM 167 CA ILE A 12 0.619 -8.101 -5.638 1.00 0.00 C ATOM 168 C ILE A 12 1.107 -8.506 -4.248 1.00 0.00 C ATOM 169 O ILE A 12 2.072 -9.260 -4.113 1.00 0.00 O ATOM 170 CB ILE A 12 0.113 -9.356 -6.381 1.00 0.00 C ATOM 171 CG1 ILE A 12 -0.223 -9.024 -7.840 1.00 0.00 C ATOM 172 CG2 ILE A 12 -1.102 -9.939 -5.670 1.00 0.00 C ATOM 173 CD1 ILE A 12 0.839 -9.470 -8.821 1.00 0.00 C ATOM 0 H ILE A 12 2.332 -8.039 -6.855 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.204 -7.394 -5.538 1.00 0.00 H new ATOM 0 HB ILE A 12 0.908 -10.102 -6.377 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.170 -9.496 -8.103 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.366 -7.948 -7.936 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.447 -10.823 -6.206 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.830 -10.215 -4.651 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.899 -9.196 -5.644 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.535 -9.203 -9.833 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.783 -8.979 -8.584 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.966 -10.551 -8.754 1.00 0.00 H new ATOM 185 N ILE A 13 0.427 -8.003 -3.216 1.00 0.00 N ATOM 186 CA ILE A 13 0.781 -8.312 -1.832 1.00 0.00 C ATOM 187 C ILE A 13 -0.097 -9.437 -1.281 1.00 0.00 C ATOM 188 O ILE A 13 -1.321 -9.405 -1.427 1.00 0.00 O ATOM 189 CB ILE A 13 0.643 -7.072 -0.918 1.00 0.00 C ATOM 190 CG1 ILE A 13 1.338 -5.858 -1.545 1.00 0.00 C ATOM 191 CG2 ILE A 13 1.217 -7.358 0.466 1.00 0.00 C ATOM 192 CD1 ILE A 13 1.149 -4.577 -0.758 1.00 0.00 C ATOM 0 H ILE A 13 -0.374 -7.379 -3.314 1.00 0.00 H new ATOM 0 HA ILE A 13 1.823 -8.632 -1.837 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.418 -6.844 -0.811 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.404 -6.066 -1.634 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.956 -5.713 -2.556 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.110 -6.473 1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.679 -8.191 0.918 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.273 -7.614 0.376 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.668 -3.761 -1.261 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.086 -4.344 -0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 13 1.557 -4.703 0.245 1.00 0.00 H new ATOM 204 N GLN A 14 0.539 -10.424 -0.647 1.00 0.00 N ATOM 205 CA GLN A 14 -0.171 -11.562 -0.065 1.00 0.00 C ATOM 206 C GLN A 14 0.036 -11.610 1.451 1.00 0.00 C ATOM 207 O GLN A 14 1.135 -11.905 1.921 1.00 0.00 O ATOM 208 CB GLN A 14 0.319 -12.872 -0.693 1.00 0.00 C ATOM 209 CG GLN A 14 -0.476 -13.302 -1.916 1.00 0.00 C ATOM 210 CD GLN A 14 -1.497 -14.382 -1.603 1.00 0.00 C ATOM 211 OE1 GLN A 14 -2.121 -14.376 -0.541 1.00 0.00 O ATOM 212 NE2 GLN A 14 -1.675 -15.319 -2.529 1.00 0.00 N ATOM 0 H GLN A 14 1.551 -10.457 -0.524 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.234 -11.440 -0.272 1.00 0.00 H new ATOM 0 HB2 GLN A 14 1.366 -12.760 -0.973 1.00 0.00 H new ATOM 0 HB3 GLN A 14 0.272 -13.663 0.056 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.987 -12.435 -2.335 1.00 0.00 H new ATOM 0 HG3 GLN A 14 0.210 -13.667 -2.680 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.138 -15.288 -3.396 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.349 -16.069 -2.373 1.00 0.00 H new ATOM 221 N LYS A 15 -1.024 -11.321 2.211 1.00 0.00 N ATOM 222 CA LYS A 15 -0.947 -11.334 3.674 1.00 0.00 C ATOM 223 C LYS A 15 -0.602 -12.730 4.194 1.00 0.00 C ATOM 224 O LYS A 15 -1.111 -13.733 3.691 1.00 0.00 O ATOM 225 CB LYS A 15 -2.270 -10.863 4.288 1.00 0.00 C ATOM 226 CG LYS A 15 -2.200 -10.619 5.791 1.00 0.00 C ATOM 227 CD LYS A 15 -3.509 -10.983 6.478 1.00 0.00 C ATOM 228 CE LYS A 15 -4.547 -9.878 6.332 1.00 0.00 C ATOM 229 NZ LYS A 15 -4.330 -8.771 7.307 1.00 0.00 N ATOM 0 H LYS A 15 -1.942 -11.076 1.839 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.154 -10.648 3.971 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.581 -9.942 3.794 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.039 -11.609 4.086 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.388 -11.207 6.218 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -1.968 -9.571 5.980 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.899 -11.907 6.052 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.325 -11.172 7.536 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.511 -9.479 5.318 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.543 -10.296 6.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.059 -8.041 7.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.390 -9.145 8.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.390 -8.353 7.155 1.00 0.00 H new ATOM 243 N ASP A 16 0.268 -12.778 5.203 1.00 0.00 N ATOM 244 CA ASP A 16 0.694 -14.041 5.801 1.00 0.00 C ATOM 245 C ASP A 16 0.691 -13.947 7.330 1.00 0.00 C ATOM 246 O ASP A 16 0.134 -13.005 7.898 1.00 0.00 O ATOM 247 CB ASP A 16 2.095 -14.407 5.294 1.00 0.00 C ATOM 248 CG ASP A 16 2.080 -15.599 4.358 1.00 0.00 C ATOM 249 OD1 ASP A 16 1.857 -15.399 3.146 1.00 0.00 O ATOM 250 OD2 ASP A 16 2.293 -16.733 4.838 1.00 0.00 O ATOM 0 H ASP A 16 0.693 -11.952 5.624 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.009 -14.821 5.508 1.00 0.00 H new ATOM 0 HB2 ASP A 16 2.527 -13.549 4.778 1.00 0.00 H new ATOM 0 HB3 ASP A 16 2.740 -14.625 6.145 1.00 0.00 H new ATOM 255 N ASP A 17 1.323 -14.923 7.991 1.00 0.00 N ATOM 256 CA ASP A 17 1.402 -14.940 9.455 1.00 0.00 C ATOM 257 C ASP A 17 2.048 -13.658 9.982 1.00 0.00 C ATOM 258 O ASP A 17 1.668 -13.151 11.039 1.00 0.00 O ATOM 259 CB ASP A 17 2.194 -16.162 9.939 1.00 0.00 C ATOM 260 CG ASP A 17 3.629 -16.168 9.442 1.00 0.00 C ATOM 261 OD1 ASP A 17 3.848 -16.511 8.261 1.00 0.00 O ATOM 262 OD2 ASP A 17 4.531 -15.825 10.235 1.00 0.00 O ATOM 0 H ASP A 17 1.786 -15.710 7.536 1.00 0.00 H new ATOM 0 HA ASP A 17 0.386 -15.002 9.844 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.192 -16.182 11.029 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.694 -17.070 9.602 1.00 0.00 H new ATOM 267 N ASN A 18 3.024 -13.140 9.234 1.00 0.00 N ATOM 268 CA ASN A 18 3.725 -11.916 9.616 1.00 0.00 C ATOM 269 C ASN A 18 2.932 -10.663 9.213 1.00 0.00 C ATOM 270 O ASN A 18 3.231 -9.560 9.675 1.00 0.00 O ATOM 271 CB ASN A 18 5.113 -11.886 8.964 1.00 0.00 C ATOM 272 CG ASN A 18 6.163 -11.223 9.840 1.00 0.00 C ATOM 273 OD1 ASN A 18 5.865 -10.301 10.598 1.00 0.00 O ATOM 274 ND2 ASN A 18 7.404 -11.690 9.737 1.00 0.00 N ATOM 0 H ASN A 18 3.346 -13.552 8.358 1.00 0.00 H new ATOM 0 HA ASN A 18 3.829 -11.913 10.701 1.00 0.00 H new ATOM 0 HB2 ASN A 18 5.426 -12.906 8.739 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.051 -11.355 8.014 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.151 -11.282 10.299 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.609 -12.456 9.096 1.00 0.00 H new ATOM 281 N GLY A 19 1.922 -10.835 8.353 1.00 0.00 N ATOM 282 CA GLY A 19 1.114 -9.710 7.911 1.00 0.00 C ATOM 283 C GLY A 19 1.672 -9.047 6.664 1.00 0.00 C ATOM 284 O GLY A 19 2.431 -9.664 5.915 1.00 0.00 O ATOM 0 H GLY A 19 1.652 -11.735 7.957 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.098 -10.052 7.713 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.052 -8.974 8.713 1.00 0.00 H new ATOM 288 N PHE A 20 1.296 -7.787 6.443 1.00 0.00 N ATOM 289 CA PHE A 20 1.767 -7.039 5.278 1.00 0.00 C ATOM 290 C PHE A 20 3.196 -6.544 5.500 1.00 0.00 C ATOM 291 O PHE A 20 4.069 -6.745 4.652 1.00 0.00 O ATOM 292 CB PHE A 20 0.844 -5.847 4.988 1.00 0.00 C ATOM 293 CG PHE A 20 -0.433 -6.216 4.277 1.00 0.00 C ATOM 294 CD1 PHE A 20 -1.377 -7.029 4.886 1.00 0.00 C ATOM 295 CD2 PHE A 20 -0.690 -5.742 2.999 1.00 0.00 C ATOM 296 CE1 PHE A 20 -2.553 -7.358 4.237 1.00 0.00 C ATOM 297 CE2 PHE A 20 -1.863 -6.070 2.345 1.00 0.00 C ATOM 298 CZ PHE A 20 -2.795 -6.879 2.964 1.00 0.00 C ATOM 0 H PHE A 20 0.668 -7.264 7.054 1.00 0.00 H new ATOM 0 HA PHE A 20 1.754 -7.710 4.419 1.00 0.00 H new ATOM 0 HB2 PHE A 20 0.595 -5.357 5.929 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.386 -5.120 4.384 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.191 -7.410 5.879 1.00 0.00 H new ATOM 0 HD2 PHE A 20 0.035 -5.109 2.509 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.281 -7.989 4.725 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.050 -5.694 1.350 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.711 -7.137 2.454 1.00 0.00 H new ATOM 308 N GLY A 21 3.422 -5.897 6.648 1.00 0.00 N ATOM 309 CA GLY A 21 4.740 -5.376 6.975 1.00 0.00 C ATOM 310 C GLY A 21 5.248 -4.401 5.931 1.00 0.00 C ATOM 311 O GLY A 21 6.239 -4.674 5.251 1.00 0.00 O ATOM 0 H GLY A 21 2.710 -5.726 7.358 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.702 -4.880 7.945 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.443 -6.204 7.068 1.00 0.00 H new ATOM 315 N LEU A 22 4.560 -3.270 5.788 1.00 0.00 N ATOM 316 CA LEU A 22 4.941 -2.263 4.802 1.00 0.00 C ATOM 317 C LEU A 22 4.627 -0.852 5.292 1.00 0.00 C ATOM 318 O LEU A 22 3.545 -0.598 5.826 1.00 0.00 O ATOM 319 CB LEU A 22 4.206 -2.525 3.483 1.00 0.00 C ATOM 320 CG LEU A 22 5.105 -2.856 2.290 1.00 0.00 C ATOM 321 CD1 LEU A 22 4.527 -4.011 1.485 1.00 0.00 C ATOM 322 CD2 LEU A 22 5.285 -1.632 1.407 1.00 0.00 C ATOM 0 H LEU A 22 3.738 -3.029 6.341 1.00 0.00 H new ATOM 0 HA LEU A 22 6.018 -2.336 4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.509 -3.350 3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.611 -1.645 3.236 1.00 0.00 H new ATOM 0 HG LEU A 22 6.081 -3.158 2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.182 -4.230 0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.446 -4.893 2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.538 -3.738 1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.927 -1.884 0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.313 -1.303 1.039 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.744 -0.830 1.986 1.00 0.00 H new ATOM 334 N THR A 23 5.574 0.068 5.089 1.00 0.00 N ATOM 335 CA THR A 23 5.397 1.464 5.491 1.00 0.00 C ATOM 336 C THR A 23 5.138 2.330 4.261 1.00 0.00 C ATOM 337 O THR A 23 5.858 2.238 3.266 1.00 0.00 O ATOM 338 CB THR A 23 6.628 1.983 6.250 1.00 0.00 C ATOM 339 OG1 THR A 23 7.514 0.924 6.581 1.00 0.00 O ATOM 340 CG2 THR A 23 6.272 2.704 7.534 1.00 0.00 C ATOM 0 H THR A 23 6.472 -0.130 4.648 1.00 0.00 H new ATOM 0 HA THR A 23 4.538 1.520 6.160 1.00 0.00 H new ATOM 0 HB THR A 23 7.106 2.688 5.570 1.00 0.00 H new ATOM 0 HG1 THR A 23 7.067 0.303 7.193 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.184 3.046 8.024 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.638 3.561 7.306 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.737 2.024 8.197 1.00 0.00 H new ATOM 348 N VAL A 24 4.090 3.153 4.324 1.00 0.00 N ATOM 349 CA VAL A 24 3.724 4.012 3.198 1.00 0.00 C ATOM 350 C VAL A 24 3.252 5.395 3.658 1.00 0.00 C ATOM 351 O VAL A 24 2.660 5.537 4.729 1.00 0.00 O ATOM 352 CB VAL A 24 2.610 3.357 2.350 1.00 0.00 C ATOM 353 CG1 VAL A 24 2.405 4.120 1.053 1.00 0.00 C ATOM 354 CG2 VAL A 24 2.929 1.896 2.064 1.00 0.00 C ATOM 0 H VAL A 24 3.483 3.242 5.139 1.00 0.00 H new ATOM 0 HA VAL A 24 4.624 4.137 2.596 1.00 0.00 H new ATOM 0 HB VAL A 24 1.684 3.396 2.924 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.617 3.643 0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.119 5.148 1.277 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.332 4.118 0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.129 1.459 1.466 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.869 1.829 1.517 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.017 1.352 3.004 1.00 0.00 H new ATOM 364 N SER A 25 3.518 6.410 2.829 1.00 0.00 N ATOM 365 CA SER A 25 3.122 7.786 3.131 1.00 0.00 C ATOM 366 C SER A 25 2.583 8.489 1.880 1.00 0.00 C ATOM 367 O SER A 25 2.843 8.057 0.758 1.00 0.00 O ATOM 368 CB SER A 25 4.313 8.566 3.703 1.00 0.00 C ATOM 369 OG SER A 25 3.921 9.860 4.138 1.00 0.00 O ATOM 0 H SER A 25 4.008 6.302 1.941 1.00 0.00 H new ATOM 0 HA SER A 25 2.326 7.755 3.875 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.744 8.014 4.538 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.090 8.655 2.944 1.00 0.00 H new ATOM 0 HG SER A 25 4.699 10.333 4.499 1.00 0.00 H new ATOM 375 N GLY A 26 1.831 9.575 2.085 1.00 0.00 N ATOM 376 CA GLY A 26 1.265 10.325 0.969 1.00 0.00 C ATOM 377 C GLY A 26 -0.165 9.920 0.652 1.00 0.00 C ATOM 378 O GLY A 26 -0.702 8.997 1.264 1.00 0.00 O ATOM 0 H GLY A 26 1.604 9.949 3.006 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.293 11.390 1.201 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.885 10.175 0.085 1.00 0.00 H new ATOM 382 N ASP A 27 -0.787 10.613 -0.308 1.00 0.00 N ATOM 383 CA ASP A 27 -2.165 10.307 -0.694 1.00 0.00 C ATOM 384 C ASP A 27 -2.296 10.115 -2.205 1.00 0.00 C ATOM 385 O ASP A 27 -2.236 8.983 -2.684 1.00 0.00 O ATOM 386 CB ASP A 27 -3.138 11.393 -0.201 1.00 0.00 C ATOM 387 CG ASP A 27 -2.528 12.787 -0.174 1.00 0.00 C ATOM 388 OD1 ASP A 27 -1.856 13.170 -1.157 1.00 0.00 O ATOM 389 OD2 ASP A 27 -2.729 13.501 0.828 1.00 0.00 O ATOM 0 H ASP A 27 -0.362 11.382 -0.826 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.432 9.366 -0.212 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.017 11.402 -0.846 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.480 11.135 0.801 1.00 0.00 H new ATOM 394 N ASN A 28 -2.464 11.208 -2.962 1.00 0.00 N ATOM 395 CA ASN A 28 -2.579 11.101 -4.418 1.00 0.00 C ATOM 396 C ASN A 28 -1.427 10.250 -4.942 1.00 0.00 C ATOM 397 O ASN A 28 -1.643 9.200 -5.547 1.00 0.00 O ATOM 398 CB ASN A 28 -2.575 12.486 -5.078 1.00 0.00 C ATOM 399 CG ASN A 28 -3.695 12.650 -6.090 1.00 0.00 C ATOM 400 OD1 ASN A 28 -3.589 12.189 -7.226 1.00 0.00 O ATOM 401 ND2 ASN A 28 -4.775 13.311 -5.684 1.00 0.00 N ATOM 0 H ASN A 28 -2.522 12.159 -2.597 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.528 10.627 -4.668 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.670 13.252 -4.308 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.617 12.647 -5.572 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.557 13.452 -6.324 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -4.822 13.677 -4.733 1.00 0.00 H new ATOM 408 N PRO A 29 -0.179 10.678 -4.676 1.00 0.00 N ATOM 409 CA PRO A 29 1.013 9.960 -5.069 1.00 0.00 C ATOM 410 C PRO A 29 1.547 9.126 -3.905 1.00 0.00 C ATOM 411 O PRO A 29 2.594 9.443 -3.334 1.00 0.00 O ATOM 412 CB PRO A 29 1.963 11.108 -5.397 1.00 0.00 C ATOM 413 CG PRO A 29 1.584 12.203 -4.441 1.00 0.00 C ATOM 414 CD PRO A 29 0.189 11.896 -3.936 1.00 0.00 C ATOM 0 HA PRO A 29 0.865 9.256 -5.888 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.003 10.811 -5.266 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.852 11.430 -6.432 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.291 12.252 -3.613 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.608 13.173 -4.938 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.179 11.731 -2.859 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.502 12.714 -4.140 1.00 0.00 H new ATOM 422 N VAL A 30 0.813 8.073 -3.535 1.00 0.00 N ATOM 423 CA VAL A 30 1.218 7.225 -2.417 1.00 0.00 C ATOM 424 C VAL A 30 2.649 6.720 -2.628 1.00 0.00 C ATOM 425 O VAL A 30 2.976 6.203 -3.696 1.00 0.00 O ATOM 426 CB VAL A 30 0.277 6.016 -2.229 1.00 0.00 C ATOM 427 CG1 VAL A 30 0.592 5.300 -0.929 1.00 0.00 C ATOM 428 CG2 VAL A 30 -1.182 6.440 -2.258 1.00 0.00 C ATOM 0 H VAL A 30 -0.056 7.791 -3.990 1.00 0.00 H new ATOM 0 HA VAL A 30 1.164 7.838 -1.517 1.00 0.00 H new ATOM 0 HB VAL A 30 0.443 5.331 -3.060 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.080 4.450 -0.810 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.623 4.948 -0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.459 5.987 -0.094 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.818 5.565 -2.123 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.370 7.153 -1.455 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.406 6.907 -3.217 1.00 0.00 H new ATOM 438 N PHE A 31 3.502 6.886 -1.624 1.00 0.00 N ATOM 439 CA PHE A 31 4.892 6.454 -1.735 1.00 0.00 C ATOM 440 C PHE A 31 5.270 5.472 -0.626 1.00 0.00 C ATOM 441 O PHE A 31 5.146 5.780 0.562 1.00 0.00 O ATOM 442 CB PHE A 31 5.819 7.671 -1.702 1.00 0.00 C ATOM 443 CG PHE A 31 7.258 7.350 -2.000 1.00 0.00 C ATOM 444 CD1 PHE A 31 7.716 7.306 -3.307 1.00 0.00 C ATOM 445 CD2 PHE A 31 8.149 7.093 -0.971 1.00 0.00 C ATOM 446 CE1 PHE A 31 9.038 7.011 -3.581 1.00 0.00 C ATOM 447 CE2 PHE A 31 9.471 6.798 -1.240 1.00 0.00 C ATOM 448 CZ PHE A 31 9.917 6.757 -2.546 1.00 0.00 C ATOM 0 H PHE A 31 3.259 7.313 -0.730 1.00 0.00 H new ATOM 0 HA PHE A 31 5.007 5.935 -2.687 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.464 8.406 -2.425 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.757 8.136 -0.718 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.033 7.504 -4.120 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.806 7.124 0.053 1.00 0.00 H new ATOM 0 HE1 PHE A 31 9.384 6.979 -4.604 1.00 0.00 H new ATOM 0 HE2 PHE A 31 10.156 6.599 -0.429 1.00 0.00 H new ATOM 0 HZ PHE A 31 10.951 6.527 -2.758 1.00 0.00 H new ATOM 458 N VAL A 32 5.748 4.296 -1.030 1.00 0.00 N ATOM 459 CA VAL A 32 6.172 3.261 -0.095 1.00 0.00 C ATOM 460 C VAL A 32 7.515 3.632 0.528 1.00 0.00 C ATOM 461 O VAL A 32 8.509 3.807 -0.178 1.00 0.00 O ATOM 462 CB VAL A 32 6.301 1.888 -0.789 1.00 0.00 C ATOM 463 CG1 VAL A 32 6.645 0.804 0.220 1.00 0.00 C ATOM 464 CG2 VAL A 32 5.022 1.540 -1.541 1.00 0.00 C ATOM 0 H VAL A 32 5.851 4.037 -2.011 1.00 0.00 H new ATOM 0 HA VAL A 32 5.409 3.189 0.680 1.00 0.00 H new ATOM 0 HB VAL A 32 7.114 1.949 -1.512 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.731 -0.155 -0.291 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.592 1.044 0.703 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.859 0.745 0.973 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.136 0.569 -2.022 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.187 1.503 -0.841 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.827 2.299 -2.298 1.00 0.00 H new ATOM 474 N GLN A 33 7.533 3.758 1.852 1.00 0.00 N ATOM 475 CA GLN A 33 8.748 4.120 2.575 1.00 0.00 C ATOM 476 C GLN A 33 9.636 2.902 2.825 1.00 0.00 C ATOM 477 O GLN A 33 10.744 2.827 2.297 1.00 0.00 O ATOM 478 CB GLN A 33 8.387 4.796 3.902 1.00 0.00 C ATOM 479 CG GLN A 33 9.412 5.814 4.370 1.00 0.00 C ATOM 480 CD GLN A 33 8.803 6.891 5.251 1.00 0.00 C ATOM 481 OE1 GLN A 33 7.877 7.592 4.842 1.00 0.00 O ATOM 482 NE2 GLN A 33 9.319 7.027 6.469 1.00 0.00 N ATOM 0 H GLN A 33 6.717 3.614 2.447 1.00 0.00 H new ATOM 0 HA GLN A 33 9.311 4.819 1.957 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.421 5.289 3.797 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.272 4.031 4.670 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.202 5.303 4.920 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.879 6.280 3.502 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.086 6.425 6.768 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.948 7.733 7.104 1.00 0.00 H new ATOM 491 N SER A 34 9.154 1.956 3.634 1.00 0.00 N ATOM 492 CA SER A 34 9.925 0.753 3.946 1.00 0.00 C ATOM 493 C SER A 34 9.109 -0.516 3.703 1.00 0.00 C ATOM 494 O SER A 34 7.876 -0.493 3.730 1.00 0.00 O ATOM 495 CB SER A 34 10.408 0.789 5.399 1.00 0.00 C ATOM 496 OG SER A 34 11.725 0.273 5.511 1.00 0.00 O ATOM 0 H SER A 34 8.239 2.000 4.082 1.00 0.00 H new ATOM 0 HA SER A 34 10.787 0.735 3.280 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.383 1.814 5.769 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.731 0.207 6.025 1.00 0.00 H new ATOM 0 HG SER A 34 12.012 0.308 6.448 1.00 0.00 H new ATOM 502 N VAL A 35 9.816 -1.624 3.467 1.00 0.00 N ATOM 503 CA VAL A 35 9.180 -2.914 3.215 1.00 0.00 C ATOM 504 C VAL A 35 9.822 -4.020 4.058 1.00 0.00 C ATOM 505 O VAL A 35 11.046 -4.092 4.173 1.00 0.00 O ATOM 506 CB VAL A 35 9.266 -3.298 1.719 1.00 0.00 C ATOM 507 CG1 VAL A 35 8.352 -2.413 0.887 1.00 0.00 C ATOM 508 CG2 VAL A 35 10.701 -3.211 1.211 1.00 0.00 C ATOM 0 H VAL A 35 10.835 -1.650 3.446 1.00 0.00 H new ATOM 0 HA VAL A 35 8.132 -2.814 3.496 1.00 0.00 H new ATOM 0 HB VAL A 35 8.935 -4.332 1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.426 -2.698 -0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.323 -2.534 1.224 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.651 -1.371 1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.731 -3.486 0.157 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.068 -2.192 1.330 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.331 -3.893 1.782 1.00 0.00 H new ATOM 518 N LYS A 36 8.986 -4.879 4.647 1.00 0.00 N ATOM 519 CA LYS A 36 9.471 -5.981 5.479 1.00 0.00 C ATOM 520 C LYS A 36 10.330 -6.950 4.671 1.00 0.00 C ATOM 521 O LYS A 36 9.842 -7.611 3.753 1.00 0.00 O ATOM 522 CB LYS A 36 8.297 -6.734 6.114 1.00 0.00 C ATOM 523 CG LYS A 36 8.034 -6.344 7.560 1.00 0.00 C ATOM 524 CD LYS A 36 7.594 -7.540 8.391 1.00 0.00 C ATOM 525 CE LYS A 36 8.702 -8.015 9.323 1.00 0.00 C ATOM 526 NZ LYS A 36 9.970 -8.298 8.588 1.00 0.00 N ATOM 0 H LYS A 36 7.971 -4.832 4.563 1.00 0.00 H new ATOM 0 HA LYS A 36 10.088 -5.550 6.268 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.397 -6.549 5.527 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.494 -7.805 6.065 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.937 -5.913 7.991 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.265 -5.573 7.595 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.715 -7.273 8.977 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.300 -8.355 7.729 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.886 -7.256 10.084 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.376 -8.916 9.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.580 -8.907 9.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.752 -8.781 7.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.462 -7.404 8.388 1.00 0.00 H new ATOM 540 N GLU A 37 11.611 -7.028 5.025 1.00 0.00 N ATOM 541 CA GLU A 37 12.559 -7.913 4.343 1.00 0.00 C ATOM 542 C GLU A 37 12.149 -9.382 4.477 1.00 0.00 C ATOM 543 O GLU A 37 12.394 -10.183 3.573 1.00 0.00 O ATOM 544 CB GLU A 37 13.970 -7.712 4.901 1.00 0.00 C ATOM 545 CG GLU A 37 14.406 -6.252 4.951 1.00 0.00 C ATOM 546 CD GLU A 37 14.298 -5.643 6.339 1.00 0.00 C ATOM 547 OE1 GLU A 37 13.264 -5.857 7.009 1.00 0.00 O ATOM 548 OE2 GLU A 37 15.250 -4.951 6.757 1.00 0.00 O ATOM 0 H GLU A 37 12.021 -6.486 5.786 1.00 0.00 H new ATOM 0 HA GLU A 37 12.551 -7.654 3.284 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.017 -8.131 5.906 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.677 -8.272 4.289 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.437 -6.175 4.607 1.00 0.00 H new ATOM 0 HG3 GLU A 37 13.795 -5.673 4.259 1.00 0.00 H new ATOM 555 N ASP A 38 11.523 -9.727 5.601 1.00 0.00 N ATOM 556 CA ASP A 38 11.078 -11.095 5.840 1.00 0.00 C ATOM 557 C ASP A 38 9.553 -11.167 5.905 1.00 0.00 C ATOM 558 O ASP A 38 8.983 -11.768 6.820 1.00 0.00 O ATOM 559 CB ASP A 38 11.694 -11.640 7.134 1.00 0.00 C ATOM 560 CG ASP A 38 13.201 -11.793 7.038 1.00 0.00 C ATOM 561 OD1 ASP A 38 13.670 -12.488 6.112 1.00 0.00 O ATOM 562 OD2 ASP A 38 13.910 -11.215 7.886 1.00 0.00 O ATOM 0 H ASP A 38 11.314 -9.077 6.359 1.00 0.00 H new ATOM 0 HA ASP A 38 11.414 -11.712 5.007 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.451 -10.970 7.959 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.247 -12.607 7.367 1.00 0.00 H new ATOM 567 N GLY A 39 8.895 -10.550 4.923 1.00 0.00 N ATOM 568 CA GLY A 39 7.443 -10.555 4.880 1.00 0.00 C ATOM 569 C GLY A 39 6.897 -10.420 3.470 1.00 0.00 C ATOM 570 O GLY A 39 7.658 -10.444 2.497 1.00 0.00 O ATOM 0 H GLY A 39 9.343 -10.047 4.157 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.074 -11.481 5.321 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.063 -9.737 5.492 1.00 0.00 H new ATOM 574 N ALA A 40 5.575 -10.273 3.362 1.00 0.00 N ATOM 575 CA ALA A 40 4.915 -10.126 2.063 1.00 0.00 C ATOM 576 C ALA A 40 5.527 -8.987 1.248 1.00 0.00 C ATOM 577 O ALA A 40 5.616 -9.073 0.024 1.00 0.00 O ATOM 578 CB ALA A 40 3.421 -9.896 2.246 1.00 0.00 C ATOM 0 H ALA A 40 4.940 -10.253 4.160 1.00 0.00 H new ATOM 0 HA ALA A 40 5.067 -11.053 1.511 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.947 -9.789 1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.984 -10.745 2.771 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.261 -8.989 2.828 1.00 0.00 H new ATOM 584 N ALA A 41 5.952 -7.922 1.935 1.00 0.00 N ATOM 585 CA ALA A 41 6.561 -6.772 1.271 1.00 0.00 C ATOM 586 C ALA A 41 7.741 -7.204 0.401 1.00 0.00 C ATOM 587 O ALA A 41 7.792 -6.894 -0.789 1.00 0.00 O ATOM 588 CB ALA A 41 7.010 -5.744 2.300 1.00 0.00 C ATOM 0 H ALA A 41 5.884 -7.835 2.949 1.00 0.00 H new ATOM 0 HA ALA A 41 5.811 -6.317 0.624 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.462 -4.893 1.791 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.149 -5.406 2.877 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.741 -6.196 2.970 1.00 0.00 H new ATOM 594 N MET A 42 8.680 -7.935 1.002 1.00 0.00 N ATOM 595 CA MET A 42 9.854 -8.421 0.280 1.00 0.00 C ATOM 596 C MET A 42 9.496 -9.627 -0.589 1.00 0.00 C ATOM 597 O MET A 42 9.976 -9.744 -1.717 1.00 0.00 O ATOM 598 CB MET A 42 10.971 -8.790 1.259 1.00 0.00 C ATOM 599 CG MET A 42 12.266 -9.220 0.583 1.00 0.00 C ATOM 600 SD MET A 42 13.379 -7.836 0.268 1.00 0.00 S ATOM 601 CE MET A 42 14.868 -8.404 1.088 1.00 0.00 C ATOM 0 H MET A 42 8.650 -8.203 1.986 1.00 0.00 H new ATOM 0 HA MET A 42 10.207 -7.620 -0.369 1.00 0.00 H new ATOM 0 HB2 MET A 42 11.175 -7.934 1.902 1.00 0.00 H new ATOM 0 HB3 MET A 42 10.624 -9.597 1.904 1.00 0.00 H new ATOM 0 HG2 MET A 42 12.773 -9.953 1.211 1.00 0.00 H new ATOM 0 HG3 MET A 42 12.032 -9.715 -0.360 1.00 0.00 H new ATOM 0 HE1 MET A 42 15.540 -7.561 1.248 1.00 0.00 H new ATOM 0 HE2 MET A 42 14.608 -8.848 2.049 1.00 0.00 H new ATOM 0 HE3 MET A 42 15.364 -9.150 0.467 1.00 0.00 H new ATOM 611 N ARG A 43 8.654 -10.522 -0.062 1.00 0.00 N ATOM 612 CA ARG A 43 8.242 -11.715 -0.807 1.00 0.00 C ATOM 613 C ARG A 43 7.542 -11.338 -2.117 1.00 0.00 C ATOM 614 O ARG A 43 7.684 -12.035 -3.121 1.00 0.00 O ATOM 615 CB ARG A 43 7.325 -12.600 0.047 1.00 0.00 C ATOM 616 CG ARG A 43 7.930 -13.958 0.377 1.00 0.00 C ATOM 617 CD ARG A 43 7.135 -14.689 1.449 1.00 0.00 C ATOM 618 NE ARG A 43 6.378 -15.817 0.902 1.00 0.00 N ATOM 619 CZ ARG A 43 5.890 -16.820 1.639 1.00 0.00 C ATOM 620 NH1 ARG A 43 6.071 -16.842 2.956 1.00 0.00 N ATOM 621 NH2 ARG A 43 5.215 -17.804 1.054 1.00 0.00 N ATOM 0 H ARG A 43 8.247 -10.444 0.870 1.00 0.00 H new ATOM 0 HA ARG A 43 9.143 -12.278 -1.052 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.092 -12.079 0.976 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.383 -12.749 -0.480 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.968 -14.568 -0.526 1.00 0.00 H new ATOM 0 HG3 ARG A 43 8.958 -13.825 0.715 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.815 -15.050 2.221 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.449 -13.992 1.929 1.00 0.00 H new ATOM 0 HE ARG A 43 6.213 -15.839 -0.104 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.586 -16.089 3.413 1.00 0.00 H new ATOM 0 HH12 ARG A 43 5.695 -17.612 3.510 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.070 -17.793 0.044 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.842 -18.570 1.615 1.00 0.00 H new ATOM 635 N ALA A 44 6.794 -10.232 -2.103 1.00 0.00 N ATOM 636 CA ALA A 44 6.083 -9.771 -3.297 1.00 0.00 C ATOM 637 C ALA A 44 7.028 -9.103 -4.305 1.00 0.00 C ATOM 638 O ALA A 44 6.658 -8.897 -5.463 1.00 0.00 O ATOM 639 CB ALA A 44 4.966 -8.812 -2.910 1.00 0.00 C ATOM 0 H ALA A 44 6.665 -9.641 -1.281 1.00 0.00 H new ATOM 0 HA ALA A 44 5.653 -10.649 -3.780 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.446 -8.478 -3.808 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.262 -9.320 -2.251 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.389 -7.950 -2.393 1.00 0.00 H new ATOM 645 N GLY A 45 8.242 -8.763 -3.861 1.00 0.00 N ATOM 646 CA GLY A 45 9.207 -8.121 -4.742 1.00 0.00 C ATOM 647 C GLY A 45 9.158 -6.603 -4.663 1.00 0.00 C ATOM 648 O GLY A 45 9.501 -5.917 -5.627 1.00 0.00 O ATOM 0 H GLY A 45 8.572 -8.921 -2.909 1.00 0.00 H new ATOM 0 HA2 GLY A 45 10.210 -8.462 -4.485 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.018 -8.433 -5.769 1.00 0.00 H new ATOM 652 N VAL A 46 8.734 -6.077 -3.512 1.00 0.00 N ATOM 653 CA VAL A 46 8.646 -4.632 -3.314 1.00 0.00 C ATOM 654 C VAL A 46 9.909 -4.103 -2.642 1.00 0.00 C ATOM 655 O VAL A 46 10.432 -4.721 -1.712 1.00 0.00 O ATOM 656 CB VAL A 46 7.413 -4.248 -2.466 1.00 0.00 C ATOM 657 CG1 VAL A 46 7.231 -2.736 -2.430 1.00 0.00 C ATOM 658 CG2 VAL A 46 6.160 -4.926 -3.004 1.00 0.00 C ATOM 0 H VAL A 46 8.447 -6.631 -2.705 1.00 0.00 H new ATOM 0 HA VAL A 46 8.542 -4.178 -4.299 1.00 0.00 H new ATOM 0 HB VAL A 46 7.580 -4.595 -1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.357 -2.489 -1.827 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.116 -2.273 -1.993 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.090 -2.362 -3.444 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.303 -4.643 -2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.991 -4.613 -4.034 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.289 -6.008 -2.970 1.00 0.00 H new ATOM 668 N GLN A 47 10.397 -2.961 -3.123 1.00 0.00 N ATOM 669 CA GLN A 47 11.605 -2.349 -2.577 1.00 0.00 C ATOM 670 C GLN A 47 11.270 -1.155 -1.685 1.00 0.00 C ATOM 671 O GLN A 47 10.115 -0.737 -1.594 1.00 0.00 O ATOM 672 CB GLN A 47 12.531 -1.904 -3.714 1.00 0.00 C ATOM 673 CG GLN A 47 13.621 -2.915 -4.049 1.00 0.00 C ATOM 674 CD GLN A 47 14.939 -2.616 -3.355 1.00 0.00 C ATOM 675 OE1 GLN A 47 15.091 -1.591 -2.690 1.00 0.00 O ATOM 676 NE2 GLN A 47 15.906 -3.517 -3.509 1.00 0.00 N ATOM 0 H GLN A 47 9.973 -2.441 -3.891 1.00 0.00 H new ATOM 0 HA GLN A 47 12.112 -3.097 -1.967 1.00 0.00 H new ATOM 0 HB2 GLN A 47 11.933 -1.719 -4.606 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.997 -0.957 -3.441 1.00 0.00 H new ATOM 0 HG2 GLN A 47 13.285 -3.912 -3.765 1.00 0.00 H new ATOM 0 HG3 GLN A 47 13.779 -2.927 -5.127 1.00 0.00 H new ATOM 0 HE21 GLN A 47 15.739 -4.353 -4.068 1.00 0.00 H new ATOM 0 HE22 GLN A 47 16.814 -3.371 -3.068 1.00 0.00 H new ATOM 685 N THR A 48 12.297 -0.607 -1.037 1.00 0.00 N ATOM 686 CA THR A 48 12.123 0.548 -0.158 1.00 0.00 C ATOM 687 C THR A 48 12.211 1.845 -0.963 1.00 0.00 C ATOM 688 O THR A 48 13.301 2.300 -1.317 1.00 0.00 O ATOM 689 CB THR A 48 13.167 0.533 0.972 1.00 0.00 C ATOM 690 OG1 THR A 48 13.024 1.668 1.809 1.00 0.00 O ATOM 691 CG2 THR A 48 14.602 0.509 0.488 1.00 0.00 C ATOM 0 H THR A 48 13.257 -0.944 -1.104 1.00 0.00 H new ATOM 0 HA THR A 48 11.134 0.492 0.297 1.00 0.00 H new ATOM 0 HB THR A 48 12.971 -0.393 1.512 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.172 2.111 1.616 1.00 0.00 H new ATOM 0 HG21 THR A 48 15.275 0.500 1.345 1.00 0.00 H new ATOM 0 HG22 THR A 48 14.768 -0.385 -0.114 1.00 0.00 H new ATOM 0 HG23 THR A 48 14.797 1.395 -0.117 1.00 0.00 H new ATOM 699 N GLY A 49 11.052 2.432 -1.255 1.00 0.00 N ATOM 700 CA GLY A 49 11.011 3.667 -2.020 1.00 0.00 C ATOM 701 C GLY A 49 10.219 3.538 -3.310 1.00 0.00 C ATOM 702 O GLY A 49 10.667 3.988 -4.365 1.00 0.00 O ATOM 0 H GLY A 49 10.139 2.073 -0.975 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.571 4.454 -1.407 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.029 3.977 -2.254 1.00 0.00 H new ATOM 706 N ASP A 50 9.035 2.931 -3.222 1.00 0.00 N ATOM 707 CA ASP A 50 8.167 2.750 -4.386 1.00 0.00 C ATOM 708 C ASP A 50 7.095 3.839 -4.425 1.00 0.00 C ATOM 709 O ASP A 50 6.817 4.472 -3.410 1.00 0.00 O ATOM 710 CB ASP A 50 7.511 1.364 -4.347 1.00 0.00 C ATOM 711 CG ASP A 50 8.468 0.243 -4.723 1.00 0.00 C ATOM 712 OD1 ASP A 50 9.655 0.312 -4.339 1.00 0.00 O ATOM 713 OD2 ASP A 50 8.026 -0.709 -5.399 1.00 0.00 O ATOM 0 H ASP A 50 8.654 2.555 -2.354 1.00 0.00 H new ATOM 0 HA ASP A 50 8.774 2.826 -5.288 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.121 1.181 -3.346 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.660 1.352 -5.028 1.00 0.00 H new ATOM 718 N ARG A 51 6.499 4.060 -5.596 1.00 0.00 N ATOM 719 CA ARG A 51 5.462 5.084 -5.739 1.00 0.00 C ATOM 720 C ARG A 51 4.123 4.464 -6.142 1.00 0.00 C ATOM 721 O ARG A 51 3.788 4.413 -7.325 1.00 0.00 O ATOM 722 CB ARG A 51 5.892 6.132 -6.773 1.00 0.00 C ATOM 723 CG ARG A 51 5.240 7.493 -6.578 1.00 0.00 C ATOM 724 CD ARG A 51 5.776 8.522 -7.566 1.00 0.00 C ATOM 725 NE ARG A 51 4.908 8.674 -8.736 1.00 0.00 N ATOM 726 CZ ARG A 51 4.967 9.704 -9.587 1.00 0.00 C ATOM 727 NH1 ARG A 51 5.862 10.674 -9.416 1.00 0.00 N ATOM 728 NH2 ARG A 51 4.128 9.763 -10.616 1.00 0.00 N ATOM 0 H ARG A 51 6.713 3.550 -6.453 1.00 0.00 H new ATOM 0 HA ARG A 51 5.332 5.569 -4.772 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.975 6.249 -6.729 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.652 5.764 -7.770 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.161 7.400 -6.699 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.418 7.839 -5.560 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.878 9.485 -7.065 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.773 8.225 -7.892 1.00 0.00 H new ATOM 0 HE ARG A 51 4.214 7.948 -8.913 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.511 10.636 -8.630 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.899 11.455 -10.071 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.440 9.023 -10.756 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.172 10.548 -11.266 1.00 0.00 H new ATOM 742 N ILE A 52 3.356 3.995 -5.155 1.00 0.00 N ATOM 743 CA ILE A 52 2.056 3.382 -5.424 1.00 0.00 C ATOM 744 C ILE A 52 1.003 4.437 -5.777 1.00 0.00 C ATOM 745 O ILE A 52 0.856 5.456 -5.094 1.00 0.00 O ATOM 746 CB ILE A 52 1.570 2.501 -4.241 1.00 0.00 C ATOM 747 CG1 ILE A 52 0.180 1.908 -4.528 1.00 0.00 C ATOM 748 CG2 ILE A 52 1.578 3.278 -2.933 1.00 0.00 C ATOM 749 CD1 ILE A 52 -0.978 2.843 -4.235 1.00 0.00 C ATOM 0 H ILE A 52 3.612 4.028 -4.168 1.00 0.00 H new ATOM 0 HA ILE A 52 2.190 2.730 -6.287 1.00 0.00 H new ATOM 0 HB ILE A 52 2.270 1.673 -4.135 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.135 1.612 -5.576 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.057 1.001 -3.936 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.233 2.633 -2.125 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.591 3.618 -2.718 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.916 4.140 -3.018 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.918 2.342 -4.466 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.964 3.120 -3.181 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.885 3.740 -4.847 1.00 0.00 H new ATOM 761 N ILE A 53 0.281 4.185 -6.867 1.00 0.00 N ATOM 762 CA ILE A 53 -0.752 5.102 -7.336 1.00 0.00 C ATOM 763 C ILE A 53 -2.142 4.466 -7.276 1.00 0.00 C ATOM 764 O ILE A 53 -3.123 5.145 -6.968 1.00 0.00 O ATOM 765 CB ILE A 53 -0.472 5.570 -8.782 1.00 0.00 C ATOM 766 CG1 ILE A 53 0.903 6.239 -8.873 1.00 0.00 C ATOM 767 CG2 ILE A 53 -1.561 6.522 -9.258 1.00 0.00 C ATOM 768 CD1 ILE A 53 1.971 5.348 -9.467 1.00 0.00 C ATOM 0 H ILE A 53 0.394 3.350 -7.442 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.730 5.963 -6.668 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.473 4.695 -9.432 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.819 7.143 -9.476 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.214 6.549 -7.875 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.346 6.840 -10.278 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.525 6.014 -9.232 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.593 7.394 -8.605 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.918 5.887 -9.500 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.084 4.455 -8.852 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.683 5.058 -10.477 1.00 0.00 H new ATOM 780 N LYS A 54 -2.228 3.167 -7.581 1.00 0.00 N ATOM 781 CA LYS A 54 -3.518 2.470 -7.568 1.00 0.00 C ATOM 782 C LYS A 54 -3.435 1.144 -6.810 1.00 0.00 C ATOM 783 O LYS A 54 -2.345 0.668 -6.490 1.00 0.00 O ATOM 784 CB LYS A 54 -4.014 2.227 -9.004 1.00 0.00 C ATOM 785 CG LYS A 54 -3.399 3.159 -10.043 1.00 0.00 C ATOM 786 CD LYS A 54 -4.368 3.463 -11.175 1.00 0.00 C ATOM 787 CE LYS A 54 -3.814 4.524 -12.117 1.00 0.00 C ATOM 788 NZ LYS A 54 -4.828 5.564 -12.453 1.00 0.00 N ATOM 0 H LYS A 54 -1.431 2.584 -7.837 1.00 0.00 H new ATOM 0 HA LYS A 54 -4.230 3.110 -7.048 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.796 1.196 -9.282 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.098 2.341 -9.026 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.098 4.090 -9.563 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.496 2.704 -10.450 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.573 2.550 -11.734 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.317 3.803 -10.761 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.948 4.999 -11.657 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -3.467 4.048 -13.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.407 6.265 -13.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.644 5.116 -12.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.141 6.038 -11.582 1.00 0.00 H new ATOM 802 N VAL A 55 -4.601 0.555 -6.532 1.00 0.00 N ATOM 803 CA VAL A 55 -4.679 -0.720 -5.818 1.00 0.00 C ATOM 804 C VAL A 55 -5.830 -1.572 -6.354 1.00 0.00 C ATOM 805 O VAL A 55 -7.002 -1.229 -6.182 1.00 0.00 O ATOM 806 CB VAL A 55 -4.860 -0.523 -4.295 1.00 0.00 C ATOM 807 CG1 VAL A 55 -3.551 -0.090 -3.650 1.00 0.00 C ATOM 808 CG2 VAL A 55 -5.968 0.482 -4.003 1.00 0.00 C ATOM 0 H VAL A 55 -5.507 0.944 -6.792 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.732 -1.232 -5.988 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.153 -1.479 -3.862 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.700 0.043 -2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.792 -0.854 -3.819 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.222 0.851 -4.090 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.075 0.602 -2.925 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.716 1.443 -4.452 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.907 0.121 -4.423 1.00 0.00 H new ATOM 818 N ASN A 56 -5.483 -2.680 -7.008 1.00 0.00 N ATOM 819 CA ASN A 56 -6.477 -3.590 -7.579 1.00 0.00 C ATOM 820 C ASN A 56 -7.359 -2.865 -8.600 1.00 0.00 C ATOM 821 O ASN A 56 -8.558 -3.134 -8.704 1.00 0.00 O ATOM 822 CB ASN A 56 -7.337 -4.206 -6.466 1.00 0.00 C ATOM 823 CG ASN A 56 -7.195 -5.716 -6.392 1.00 0.00 C ATOM 824 OD1 ASN A 56 -6.084 -6.247 -6.412 1.00 0.00 O ATOM 825 ND2 ASN A 56 -8.320 -6.419 -6.303 1.00 0.00 N ATOM 0 H ASN A 56 -4.517 -2.971 -7.156 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.950 -4.391 -8.097 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.053 -3.770 -5.508 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -8.383 -3.950 -6.635 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.282 -7.437 -6.248 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.221 -5.940 -6.289 1.00 0.00 H new ATOM 832 N GLY A 57 -6.757 -1.935 -9.347 1.00 0.00 N ATOM 833 CA GLY A 57 -7.500 -1.179 -10.340 1.00 0.00 C ATOM 834 C GLY A 57 -8.050 0.125 -9.788 1.00 0.00 C ATOM 835 O GLY A 57 -7.944 1.171 -10.430 1.00 0.00 O ATOM 0 H GLY A 57 -5.768 -1.695 -9.279 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.851 -0.965 -11.189 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.324 -1.788 -10.714 1.00 0.00 H new ATOM 839 N THR A 58 -8.635 0.062 -8.589 1.00 0.00 N ATOM 840 CA THR A 58 -9.201 1.246 -7.945 1.00 0.00 C ATOM 841 C THR A 58 -8.096 2.187 -7.468 1.00 0.00 C ATOM 842 O THR A 58 -7.223 1.795 -6.693 1.00 0.00 O ATOM 843 CB THR A 58 -10.106 0.853 -6.770 1.00 0.00 C ATOM 844 OG1 THR A 58 -9.392 0.112 -5.789 1.00 0.00 O ATOM 845 CG2 THR A 58 -11.309 0.030 -7.189 1.00 0.00 C ATOM 0 H THR A 58 -8.728 -0.797 -8.046 1.00 0.00 H new ATOM 0 HA THR A 58 -9.806 1.769 -8.686 1.00 0.00 H new ATOM 0 HB THR A 58 -10.456 1.799 -6.358 1.00 0.00 H new ATOM 0 HG1 THR A 58 -8.556 -0.223 -6.176 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.907 -0.214 -6.311 1.00 0.00 H new ATOM 0 HG22 THR A 58 -11.914 0.602 -7.892 1.00 0.00 H new ATOM 0 HG23 THR A 58 -10.972 -0.890 -7.666 1.00 0.00 H new ATOM 853 N LEU A 59 -8.140 3.430 -7.939 1.00 0.00 N ATOM 854 CA LEU A 59 -7.143 4.431 -7.567 1.00 0.00 C ATOM 855 C LEU A 59 -7.468 5.049 -6.207 1.00 0.00 C ATOM 856 O LEU A 59 -8.637 5.207 -5.850 1.00 0.00 O ATOM 857 CB LEU A 59 -7.052 5.524 -8.638 1.00 0.00 C ATOM 858 CG LEU A 59 -8.363 6.259 -8.941 1.00 0.00 C ATOM 859 CD1 LEU A 59 -8.103 7.740 -9.172 1.00 0.00 C ATOM 860 CD2 LEU A 59 -9.060 5.642 -10.148 1.00 0.00 C ATOM 0 H LEU A 59 -8.857 3.769 -8.580 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.177 3.932 -7.493 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.309 6.257 -8.323 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.685 5.075 -9.561 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.021 6.156 -8.078 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.045 8.246 -9.386 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.652 8.174 -8.279 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.425 7.863 -10.017 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.988 6.178 -10.346 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.408 5.711 -11.019 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.283 4.595 -9.944 1.00 0.00 H new ATOM 872 N VAL A 60 -6.426 5.396 -5.450 1.00 0.00 N ATOM 873 CA VAL A 60 -6.601 5.994 -4.127 1.00 0.00 C ATOM 874 C VAL A 60 -6.161 7.460 -4.116 1.00 0.00 C ATOM 875 O VAL A 60 -5.461 7.905 -3.203 1.00 0.00 O ATOM 876 CB VAL A 60 -5.824 5.211 -3.040 1.00 0.00 C ATOM 877 CG1 VAL A 60 -6.408 3.817 -2.864 1.00 0.00 C ATOM 878 CG2 VAL A 60 -4.337 5.134 -3.372 1.00 0.00 C ATOM 0 H VAL A 60 -5.453 5.273 -5.731 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.665 5.943 -3.898 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.928 5.751 -2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.849 3.282 -2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.453 3.896 -2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.341 3.273 -3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.818 4.579 -2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.203 4.627 -4.328 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.926 6.141 -3.435 1.00 0.00 H new ATOM 888 N THR A 61 -6.576 8.210 -5.137 1.00 0.00 N ATOM 889 CA THR A 61 -6.224 9.627 -5.243 1.00 0.00 C ATOM 890 C THR A 61 -7.354 10.536 -4.729 1.00 0.00 C ATOM 891 O THR A 61 -7.421 11.715 -5.090 1.00 0.00 O ATOM 892 CB THR A 61 -5.882 9.982 -6.696 1.00 0.00 C ATOM 893 OG1 THR A 61 -7.032 9.914 -7.519 1.00 0.00 O ATOM 894 CG2 THR A 61 -4.830 9.077 -7.308 1.00 0.00 C ATOM 0 H THR A 61 -7.155 7.861 -5.901 1.00 0.00 H new ATOM 0 HA THR A 61 -5.350 9.797 -4.615 1.00 0.00 H new ATOM 0 HB THR A 61 -5.486 10.997 -6.652 1.00 0.00 H new ATOM 0 HG1 THR A 61 -6.790 10.146 -8.440 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.638 9.386 -8.336 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.909 9.147 -6.730 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.186 8.047 -7.299 1.00 0.00 H new ATOM 902 N HIS A 62 -8.232 9.987 -3.882 1.00 0.00 N ATOM 903 CA HIS A 62 -9.347 10.751 -3.320 1.00 0.00 C ATOM 904 C HIS A 62 -10.068 9.945 -2.233 1.00 0.00 C ATOM 905 O HIS A 62 -11.289 9.775 -2.275 1.00 0.00 O ATOM 906 CB HIS A 62 -10.331 11.151 -4.430 1.00 0.00 C ATOM 907 CG HIS A 62 -10.884 12.534 -4.272 1.00 0.00 C ATOM 908 ND1 HIS A 62 -11.680 12.910 -3.211 1.00 0.00 N ATOM 909 CD2 HIS A 62 -10.754 13.634 -5.051 1.00 0.00 C ATOM 910 CE1 HIS A 62 -12.016 14.181 -3.344 1.00 0.00 C ATOM 911 NE2 HIS A 62 -11.466 14.644 -4.451 1.00 0.00 N ATOM 0 H HIS A 62 -8.190 9.016 -3.572 1.00 0.00 H new ATOM 0 HA HIS A 62 -8.946 11.656 -2.863 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -9.827 11.078 -5.394 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -11.156 10.439 -4.447 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -10.195 13.704 -5.972 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -12.635 14.745 -2.663 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -11.555 15.597 -4.804 1.00 0.00 H new ATOM 920 N SER A 63 -9.301 9.447 -1.261 1.00 0.00 N ATOM 921 CA SER A 63 -9.857 8.654 -0.164 1.00 0.00 C ATOM 922 C SER A 63 -9.290 9.096 1.187 1.00 0.00 C ATOM 923 O SER A 63 -8.366 9.909 1.247 1.00 0.00 O ATOM 924 CB SER A 63 -9.570 7.167 -0.391 1.00 0.00 C ATOM 925 OG SER A 63 -10.604 6.558 -1.145 1.00 0.00 O ATOM 0 H SER A 63 -8.291 9.580 -1.212 1.00 0.00 H new ATOM 0 HA SER A 63 -10.935 8.815 -0.147 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.620 7.052 -0.912 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.470 6.662 0.570 1.00 0.00 H new ATOM 0 HG SER A 63 -10.397 5.609 -1.278 1.00 0.00 H new ATOM 931 N ASN A 64 -9.855 8.554 2.268 1.00 0.00 N ATOM 932 CA ASN A 64 -9.413 8.889 3.622 1.00 0.00 C ATOM 933 C ASN A 64 -8.241 8.010 4.058 1.00 0.00 C ATOM 934 O ASN A 64 -7.905 7.027 3.392 1.00 0.00 O ATOM 935 CB ASN A 64 -10.570 8.736 4.614 1.00 0.00 C ATOM 936 CG ASN A 64 -11.241 10.058 4.950 1.00 0.00 C ATOM 937 OD1 ASN A 64 -10.624 11.120 4.871 1.00 0.00 O ATOM 938 ND2 ASN A 64 -12.514 9.998 5.332 1.00 0.00 N ATOM 0 H ASN A 64 -10.620 7.881 2.231 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.079 9.927 3.613 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.311 8.054 4.197 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.197 8.280 5.531 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.015 10.853 5.573 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -12.989 9.097 5.384 1.00 0.00 H new ATOM 945 N HIS A 65 -7.621 8.373 5.182 1.00 0.00 N ATOM 946 CA HIS A 65 -6.482 7.625 5.713 1.00 0.00 C ATOM 947 C HIS A 65 -6.923 6.270 6.271 1.00 0.00 C ATOM 948 O HIS A 65 -6.543 5.226 5.744 1.00 0.00 O ATOM 949 CB HIS A 65 -5.768 8.442 6.795 1.00 0.00 C ATOM 950 CG HIS A 65 -4.700 7.678 7.513 1.00 0.00 C ATOM 951 ND1 HIS A 65 -4.944 6.928 8.642 1.00 0.00 N ATOM 952 CD2 HIS A 65 -3.379 7.545 7.252 1.00 0.00 C ATOM 953 CE1 HIS A 65 -3.821 6.368 9.045 1.00 0.00 C ATOM 954 NE2 HIS A 65 -2.853 6.726 8.219 1.00 0.00 N ATOM 0 H HIS A 65 -7.890 9.182 5.742 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.787 7.441 4.894 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.326 9.327 6.338 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -6.503 8.791 7.520 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -2.839 7.999 6.434 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.710 5.725 9.905 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -1.876 6.441 8.289 1.00 0.00 H new ATOM 963 N LEU A 66 -7.725 6.292 7.338 1.00 0.00 N ATOM 964 CA LEU A 66 -8.210 5.054 7.950 1.00 0.00 C ATOM 965 C LEU A 66 -9.068 4.252 6.969 1.00 0.00 C ATOM 966 O LEU A 66 -9.193 3.034 7.102 1.00 0.00 O ATOM 967 CB LEU A 66 -9.013 5.349 9.224 1.00 0.00 C ATOM 968 CG LEU A 66 -8.176 5.553 10.492 1.00 0.00 C ATOM 969 CD1 LEU A 66 -8.925 6.409 11.504 1.00 0.00 C ATOM 970 CD2 LEU A 66 -7.796 4.211 11.105 1.00 0.00 C ATOM 0 H LEU A 66 -8.050 7.145 7.792 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.337 4.458 8.216 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.613 6.243 9.057 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.707 4.526 9.395 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.262 6.077 10.214 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.311 6.540 12.395 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.142 7.384 11.067 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.859 5.917 11.776 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -7.202 4.377 12.004 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -8.700 3.660 11.364 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.213 3.635 10.386 1.00 0.00 H new ATOM 982 N GLU A 67 -9.658 4.938 5.987 1.00 0.00 N ATOM 983 CA GLU A 67 -10.502 4.279 4.994 1.00 0.00 C ATOM 984 C GLU A 67 -9.676 3.411 4.046 1.00 0.00 C ATOM 985 O GLU A 67 -9.980 2.234 3.853 1.00 0.00 O ATOM 986 CB GLU A 67 -11.295 5.319 4.194 1.00 0.00 C ATOM 987 CG GLU A 67 -12.641 5.670 4.814 1.00 0.00 C ATOM 988 CD GLU A 67 -12.536 6.030 6.285 1.00 0.00 C ATOM 989 OE1 GLU A 67 -11.706 6.897 6.628 1.00 0.00 O ATOM 990 OE2 GLU A 67 -13.281 5.441 7.095 1.00 0.00 O ATOM 0 H GLU A 67 -9.566 5.946 5.860 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.197 3.630 5.528 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.699 6.227 4.103 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.457 4.942 3.184 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.079 6.507 4.270 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.320 4.825 4.699 1.00 0.00 H new ATOM 997 N VAL A 68 -8.633 3.994 3.454 1.00 0.00 N ATOM 998 CA VAL A 68 -7.779 3.259 2.524 1.00 0.00 C ATOM 999 C VAL A 68 -7.115 2.055 3.197 1.00 0.00 C ATOM 1000 O VAL A 68 -7.057 0.970 2.615 1.00 0.00 O ATOM 1001 CB VAL A 68 -6.699 4.167 1.891 1.00 0.00 C ATOM 1002 CG1 VAL A 68 -5.752 4.727 2.943 1.00 0.00 C ATOM 1003 CG2 VAL A 68 -5.931 3.409 0.819 1.00 0.00 C ATOM 0 H VAL A 68 -8.361 4.966 3.601 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.431 2.897 1.729 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.204 5.013 1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.007 5.360 2.462 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.317 5.317 3.665 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.253 3.906 3.457 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.175 4.062 0.383 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.447 2.540 1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.620 3.082 0.040 1.00 0.00 H new ATOM 1013 N VAL A 69 -6.625 2.243 4.424 1.00 0.00 N ATOM 1014 CA VAL A 69 -5.977 1.160 5.160 1.00 0.00 C ATOM 1015 C VAL A 69 -6.984 0.069 5.530 1.00 0.00 C ATOM 1016 O VAL A 69 -6.696 -1.120 5.387 1.00 0.00 O ATOM 1017 CB VAL A 69 -5.264 1.676 6.434 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -6.250 2.312 7.402 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -4.488 0.553 7.110 1.00 0.00 C ATOM 0 H VAL A 69 -6.665 3.130 4.925 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.222 0.734 4.499 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.556 2.447 6.130 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.717 2.664 8.285 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.744 3.154 6.917 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.996 1.575 7.698 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.995 0.938 8.003 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.174 -0.246 7.390 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.739 0.163 6.421 1.00 0.00 H new ATOM 1029 N LYS A 70 -8.168 0.477 5.992 1.00 0.00 N ATOM 1030 CA LYS A 70 -9.214 -0.475 6.365 1.00 0.00 C ATOM 1031 C LYS A 70 -9.658 -1.299 5.155 1.00 0.00 C ATOM 1032 O LYS A 70 -9.892 -2.503 5.269 1.00 0.00 O ATOM 1033 CB LYS A 70 -10.416 0.255 6.971 1.00 0.00 C ATOM 1034 CG LYS A 70 -11.382 -0.663 7.708 1.00 0.00 C ATOM 1035 CD LYS A 70 -11.628 -0.196 9.135 1.00 0.00 C ATOM 1036 CE LYS A 70 -10.487 -0.594 10.061 1.00 0.00 C ATOM 1037 NZ LYS A 70 -10.010 0.550 10.891 1.00 0.00 N ATOM 0 H LYS A 70 -8.425 1.456 6.116 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.800 -1.152 7.112 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.056 1.018 7.661 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.954 0.772 6.176 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.329 -0.701 7.170 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.982 -1.677 7.721 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.747 0.887 9.148 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.561 -0.623 9.502 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.816 -1.402 10.714 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.658 -0.981 9.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.233 0.233 11.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.671 1.312 10.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.793 0.904 11.477 1.00 0.00 H new ATOM 1051 N LEU A 71 -9.769 -0.642 3.997 1.00 0.00 N ATOM 1052 CA LEU A 71 -10.182 -1.317 2.768 1.00 0.00 C ATOM 1053 C LEU A 71 -9.118 -2.311 2.306 1.00 0.00 C ATOM 1054 O LEU A 71 -9.431 -3.456 1.984 1.00 0.00 O ATOM 1055 CB LEU A 71 -10.468 -0.294 1.661 1.00 0.00 C ATOM 1056 CG LEU A 71 -11.743 -0.554 0.850 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -12.162 0.697 0.089 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -11.537 -1.722 -0.106 1.00 0.00 C ATOM 0 H LEU A 71 -9.579 0.354 3.887 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.098 -1.869 2.980 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.538 0.696 2.112 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.619 -0.274 0.978 1.00 0.00 H new ATOM 0 HG LEU A 71 -12.544 -0.814 1.543 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.069 0.490 -0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.353 1.505 0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.365 0.992 -0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.452 -1.893 -0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.722 -1.491 -0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.290 -2.618 0.463 1.00 0.00 H new ATOM 1070 N ILE A 72 -7.858 -1.876 2.285 1.00 0.00 N ATOM 1071 CA ILE A 72 -6.761 -2.752 1.873 1.00 0.00 C ATOM 1072 C ILE A 72 -6.569 -3.885 2.886 1.00 0.00 C ATOM 1073 O ILE A 72 -6.264 -5.018 2.509 1.00 0.00 O ATOM 1074 CB ILE A 72 -5.430 -1.978 1.710 1.00 0.00 C ATOM 1075 CG1 ILE A 72 -5.592 -0.837 0.701 1.00 0.00 C ATOM 1076 CG2 ILE A 72 -4.312 -2.916 1.270 1.00 0.00 C ATOM 1077 CD1 ILE A 72 -4.601 0.291 0.899 1.00 0.00 C ATOM 0 H ILE A 72 -7.573 -0.932 2.546 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.033 -3.168 0.903 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.164 -1.552 2.677 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.480 -1.236 -0.307 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.604 -0.438 0.775 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.386 -2.352 1.161 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.176 -3.696 2.019 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.574 -3.371 0.315 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.774 1.063 0.150 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.728 0.716 1.895 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.586 -0.094 0.795 1.00 0.00 H new ATOM 1089 N LYS A 73 -6.753 -3.568 4.170 1.00 0.00 N ATOM 1090 CA LYS A 73 -6.606 -4.555 5.239 1.00 0.00 C ATOM 1091 C LYS A 73 -7.707 -5.622 5.192 1.00 0.00 C ATOM 1092 O LYS A 73 -7.488 -6.757 5.620 1.00 0.00 O ATOM 1093 CB LYS A 73 -6.612 -3.867 6.606 1.00 0.00 C ATOM 1094 CG LYS A 73 -5.924 -4.677 7.694 1.00 0.00 C ATOM 1095 CD LYS A 73 -5.687 -3.850 8.947 1.00 0.00 C ATOM 1096 CE LYS A 73 -4.771 -2.666 8.671 1.00 0.00 C ATOM 1097 NZ LYS A 73 -3.708 -2.523 9.708 1.00 0.00 N ATOM 0 H LYS A 73 -7.004 -2.634 4.493 1.00 0.00 H new ATOM 0 HA LYS A 73 -5.649 -5.054 5.086 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.120 -2.898 6.519 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.643 -3.675 6.903 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.534 -5.546 7.942 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.971 -5.053 7.320 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -6.641 -3.491 9.333 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.247 -4.479 9.721 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.307 -2.788 7.692 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.363 -1.752 8.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -3.108 -1.705 9.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -4.148 -2.380 10.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.125 -3.384 9.729 1.00 0.00 H new ATOM 1111 N SER A 74 -8.891 -5.257 4.681 1.00 0.00 N ATOM 1112 CA SER A 74 -10.012 -6.197 4.596 1.00 0.00 C ATOM 1113 C SER A 74 -9.836 -7.156 3.413 1.00 0.00 C ATOM 1114 O SER A 74 -10.596 -7.118 2.442 1.00 0.00 O ATOM 1115 CB SER A 74 -11.345 -5.441 4.488 1.00 0.00 C ATOM 1116 OG SER A 74 -11.397 -4.643 3.318 1.00 0.00 O ATOM 0 H SER A 74 -9.094 -4.324 4.323 1.00 0.00 H new ATOM 0 HA SER A 74 -10.026 -6.790 5.511 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.169 -6.154 4.480 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.478 -4.810 5.366 1.00 0.00 H new ATOM 0 HG SER A 74 -10.489 -4.500 2.979 1.00 0.00 H new ATOM 1122 N GLY A 75 -8.820 -8.015 3.509 1.00 0.00 N ATOM 1123 CA GLY A 75 -8.540 -8.975 2.456 1.00 0.00 C ATOM 1124 C GLY A 75 -7.184 -9.635 2.636 1.00 0.00 C ATOM 1125 O GLY A 75 -6.272 -9.033 3.208 1.00 0.00 O ATOM 0 H GLY A 75 -8.183 -8.061 4.304 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.317 -9.739 2.446 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.574 -8.473 1.489 1.00 0.00 H new ATOM 1129 N SER A 76 -7.047 -10.868 2.155 1.00 0.00 N ATOM 1130 CA SER A 76 -5.786 -11.599 2.275 1.00 0.00 C ATOM 1131 C SER A 76 -4.706 -10.972 1.395 1.00 0.00 C ATOM 1132 O SER A 76 -3.720 -10.434 1.900 1.00 0.00 O ATOM 1133 CB SER A 76 -5.981 -13.075 1.908 1.00 0.00 C ATOM 1134 OG SER A 76 -4.777 -13.806 2.073 1.00 0.00 O ATOM 0 H SER A 76 -7.790 -11.381 1.680 1.00 0.00 H new ATOM 0 HA SER A 76 -5.459 -11.538 3.313 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.762 -13.508 2.533 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.319 -13.154 0.875 1.00 0.00 H new ATOM 0 HG SER A 76 -4.929 -14.744 1.834 1.00 0.00 H new ATOM 1140 N TYR A 77 -4.894 -11.039 0.079 1.00 0.00 N ATOM 1141 CA TYR A 77 -3.931 -10.471 -0.859 1.00 0.00 C ATOM 1142 C TYR A 77 -4.584 -9.408 -1.735 1.00 0.00 C ATOM 1143 O TYR A 77 -5.807 -9.384 -1.892 1.00 0.00 O ATOM 1144 CB TYR A 77 -3.312 -11.569 -1.731 1.00 0.00 C ATOM 1145 CG TYR A 77 -4.322 -12.379 -2.513 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -4.920 -13.501 -1.955 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -4.680 -12.020 -3.806 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -5.844 -14.245 -2.663 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -5.603 -12.758 -4.521 1.00 0.00 C ATOM 1150 CZ TYR A 77 -6.184 -13.868 -3.945 1.00 0.00 C ATOM 1151 OH TYR A 77 -7.107 -14.604 -4.654 1.00 0.00 O ATOM 0 H TYR A 77 -5.702 -11.480 -0.360 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.138 -9.998 -0.279 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.610 -11.112 -2.429 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.736 -12.242 -1.095 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -4.658 -13.797 -0.950 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.229 -11.150 -4.260 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.297 -15.117 -2.215 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -5.868 -12.467 -5.527 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.234 -14.204 -5.539 1.00 0.00 H new ATOM 1161 N VAL A 78 -3.764 -8.522 -2.298 1.00 0.00 N ATOM 1162 CA VAL A 78 -4.271 -7.452 -3.150 1.00 0.00 C ATOM 1163 C VAL A 78 -3.193 -6.931 -4.102 1.00 0.00 C ATOM 1164 O VAL A 78 -2.005 -6.929 -3.772 1.00 0.00 O ATOM 1165 CB VAL A 78 -4.822 -6.283 -2.300 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -3.720 -5.655 -1.457 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -5.492 -5.239 -3.183 1.00 0.00 C ATOM 0 H VAL A 78 -2.751 -8.525 -2.179 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.081 -7.874 -3.745 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.575 -6.686 -1.622 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.134 -4.836 -0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.301 -6.406 -0.788 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.935 -5.273 -2.110 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.871 -4.427 -2.563 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.766 -4.844 -3.894 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.319 -5.698 -3.726 1.00 0.00 H new ATOM 1177 N ALA A 79 -3.621 -6.481 -5.282 1.00 0.00 N ATOM 1178 CA ALA A 79 -2.703 -5.946 -6.282 1.00 0.00 C ATOM 1179 C ALA A 79 -2.534 -4.443 -6.092 1.00 0.00 C ATOM 1180 O ALA A 79 -3.486 -3.745 -5.748 1.00 0.00 O ATOM 1181 CB ALA A 79 -3.203 -6.255 -7.686 1.00 0.00 C ATOM 0 H ALA A 79 -4.600 -6.477 -5.567 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.732 -6.424 -6.153 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.506 -5.848 -8.418 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.277 -7.335 -7.816 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.185 -5.804 -7.830 1.00 0.00 H new ATOM 1187 N LEU A 80 -1.314 -3.947 -6.294 1.00 0.00 N ATOM 1188 CA LEU A 80 -1.035 -2.525 -6.120 1.00 0.00 C ATOM 1189 C LEU A 80 -0.276 -1.945 -7.311 1.00 0.00 C ATOM 1190 O LEU A 80 0.869 -2.322 -7.576 1.00 0.00 O ATOM 1191 CB LEU A 80 -0.239 -2.300 -4.830 1.00 0.00 C ATOM 1192 CG LEU A 80 -1.018 -2.554 -3.536 1.00 0.00 C ATOM 1193 CD1 LEU A 80 -1.072 -4.043 -3.226 1.00 0.00 C ATOM 1194 CD2 LEU A 80 -0.395 -1.787 -2.378 1.00 0.00 C ATOM 0 H LEU A 80 -0.509 -4.506 -6.576 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.991 -2.006 -6.053 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.636 -2.950 -4.843 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.126 -1.273 -4.821 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.039 -2.197 -3.674 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.630 -4.203 -2.303 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.566 -4.567 -4.044 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.059 -4.427 -3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.962 -1.980 -1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.636 -2.112 -2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.413 -0.719 -2.597 1.00 0.00 H new ATOM 1206 N THR A 81 -0.919 -1.009 -8.009 1.00 0.00 N ATOM 1207 CA THR A 81 -0.313 -0.343 -9.159 1.00 0.00 C ATOM 1208 C THR A 81 0.620 0.765 -8.677 1.00 0.00 C ATOM 1209 O THR A 81 0.157 1.808 -8.187 1.00 0.00 O ATOM 1210 CB THR A 81 -1.394 0.242 -10.073 1.00 0.00 C ATOM 1211 OG1 THR A 81 -2.330 -0.753 -10.450 1.00 0.00 O ATOM 1212 CG2 THR A 81 -0.839 0.858 -11.341 1.00 0.00 C ATOM 0 H THR A 81 -1.865 -0.694 -7.795 1.00 0.00 H new ATOM 0 HA THR A 81 0.260 -1.075 -9.728 1.00 0.00 H new ATOM 0 HB THR A 81 -1.871 1.027 -9.486 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.870 -1.465 -10.942 1.00 0.00 H new ATOM 0 HG21 THR A 81 -1.658 1.253 -11.942 1.00 0.00 H new ATOM 0 HG22 THR A 81 -0.155 1.667 -11.083 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.304 0.098 -11.911 1.00 0.00 H new ATOM 1220 N VAL A 82 1.929 0.527 -8.797 1.00 0.00 N ATOM 1221 CA VAL A 82 2.931 1.494 -8.351 1.00 0.00 C ATOM 1222 C VAL A 82 3.887 1.898 -9.478 1.00 0.00 C ATOM 1223 O VAL A 82 3.824 1.369 -10.587 1.00 0.00 O ATOM 1224 CB VAL A 82 3.751 0.934 -7.160 1.00 0.00 C ATOM 1225 CG1 VAL A 82 2.840 0.249 -6.151 1.00 0.00 C ATOM 1226 CG2 VAL A 82 4.829 -0.031 -7.640 1.00 0.00 C ATOM 0 H VAL A 82 2.317 -0.326 -9.199 1.00 0.00 H new ATOM 0 HA VAL A 82 2.384 2.381 -8.032 1.00 0.00 H new ATOM 0 HB VAL A 82 4.241 1.776 -6.670 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.437 -0.136 -5.324 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.114 0.967 -5.770 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.316 -0.575 -6.635 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.388 -0.408 -6.783 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.363 -0.865 -8.165 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.508 0.489 -8.316 1.00 0.00 H new ATOM 1236 N GLN A 83 4.776 2.843 -9.169 1.00 0.00 N ATOM 1237 CA GLN A 83 5.759 3.333 -10.128 1.00 0.00 C ATOM 1238 C GLN A 83 7.118 3.504 -9.454 1.00 0.00 C ATOM 1239 O GLN A 83 7.197 3.719 -8.240 1.00 0.00 O ATOM 1240 CB GLN A 83 5.300 4.666 -10.730 1.00 0.00 C ATOM 1241 CG GLN A 83 4.974 4.585 -12.214 1.00 0.00 C ATOM 1242 CD GLN A 83 4.817 5.949 -12.860 1.00 0.00 C ATOM 1243 OE1 GLN A 83 5.410 6.224 -13.903 1.00 0.00 O ATOM 1244 NE2 GLN A 83 4.014 6.813 -12.247 1.00 0.00 N ATOM 0 H GLN A 83 4.833 3.286 -8.252 1.00 0.00 H new ATOM 0 HA GLN A 83 5.854 2.601 -10.930 1.00 0.00 H new ATOM 0 HB2 GLN A 83 4.418 5.014 -10.192 1.00 0.00 H new ATOM 0 HB3 GLN A 83 6.081 5.411 -10.578 1.00 0.00 H new ATOM 0 HG2 GLN A 83 5.765 4.036 -12.725 1.00 0.00 H new ATOM 0 HG3 GLN A 83 4.053 4.017 -12.348 1.00 0.00 H new ATOM 0 HE21 GLN A 83 3.541 6.546 -11.384 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.871 7.743 -12.640 1.00 0.00 H new ATOM 1253 N GLY A 84 8.184 3.406 -10.248 1.00 0.00 N ATOM 1254 CA GLY A 84 9.527 3.551 -9.714 1.00 0.00 C ATOM 1255 C GLY A 84 10.571 3.759 -10.795 1.00 0.00 C ATOM 1256 O GLY A 84 10.236 4.034 -11.949 1.00 0.00 O ATOM 0 H GLY A 84 8.140 3.229 -11.252 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.550 4.396 -9.026 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.781 2.662 -9.136 1.00 0.00 H new ATOM 1260 N ARG A 85 11.842 3.625 -10.417 1.00 0.00 N ATOM 1261 CA ARG A 85 12.948 3.796 -11.356 1.00 0.00 C ATOM 1262 C ARG A 85 13.498 2.441 -11.801 1.00 0.00 C ATOM 1263 O ARG A 85 13.411 1.458 -11.065 1.00 0.00 O ATOM 1264 CB ARG A 85 14.064 4.636 -10.720 1.00 0.00 C ATOM 1265 CG ARG A 85 14.712 3.987 -9.506 1.00 0.00 C ATOM 1266 CD ARG A 85 15.564 4.980 -8.733 1.00 0.00 C ATOM 1267 NE ARG A 85 16.135 4.388 -7.522 1.00 0.00 N ATOM 1268 CZ ARG A 85 16.626 5.099 -6.503 1.00 0.00 C ATOM 1269 NH1 ARG A 85 16.627 6.428 -6.541 1.00 0.00 N ATOM 1270 NH2 ARG A 85 17.121 4.472 -5.440 1.00 0.00 N ATOM 0 H ARG A 85 12.131 3.398 -9.465 1.00 0.00 H new ATOM 0 HA ARG A 85 12.570 4.319 -12.234 1.00 0.00 H new ATOM 0 HB2 ARG A 85 14.832 4.828 -11.469 1.00 0.00 H new ATOM 0 HB3 ARG A 85 13.655 5.603 -10.427 1.00 0.00 H new ATOM 0 HG2 ARG A 85 13.939 3.582 -8.852 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.330 3.148 -9.827 1.00 0.00 H new ATOM 0 HD2 ARG A 85 16.368 5.343 -9.373 1.00 0.00 H new ATOM 0 HD3 ARG A 85 14.958 5.844 -8.463 1.00 0.00 H new ATOM 0 HE ARG A 85 16.159 3.371 -7.452 1.00 0.00 H new ATOM 0 HH11 ARG A 85 16.250 6.915 -7.354 1.00 0.00 H new ATOM 0 HH12 ARG A 85 17.004 6.960 -5.757 1.00 0.00 H new ATOM 0 HH21 ARG A 85 17.125 3.453 -5.405 1.00 0.00 H new ATOM 0 HH22 ARG A 85 17.497 5.010 -4.660 1.00 0.00 H new ATOM 1284 N PRO A 86 14.080 2.375 -13.016 1.00 0.00 N ATOM 1285 CA PRO A 86 14.652 1.133 -13.556 1.00 0.00 C ATOM 1286 C PRO A 86 15.896 0.688 -12.782 1.00 0.00 C ATOM 1287 O PRO A 86 16.936 1.347 -12.833 1.00 0.00 O ATOM 1288 CB PRO A 86 15.016 1.502 -14.998 1.00 0.00 C ATOM 1289 CG PRO A 86 15.194 2.980 -14.981 1.00 0.00 C ATOM 1290 CD PRO A 86 14.228 3.503 -13.954 1.00 0.00 C ATOM 0 HA PRO A 86 13.957 0.297 -13.484 1.00 0.00 H new ATOM 0 HB2 PRO A 86 15.928 0.998 -15.317 1.00 0.00 H new ATOM 0 HB3 PRO A 86 14.229 1.207 -15.692 1.00 0.00 H new ATOM 0 HG2 PRO A 86 16.219 3.246 -14.724 1.00 0.00 H new ATOM 0 HG3 PRO A 86 14.990 3.409 -15.962 1.00 0.00 H new ATOM 0 HD2 PRO A 86 14.614 4.392 -13.455 1.00 0.00 H new ATOM 0 HD3 PRO A 86 13.274 3.779 -14.404 1.00 0.00 H new ATOM 1298 N PRO A 87 15.801 -0.438 -12.045 1.00 0.00 N ATOM 1299 CA PRO A 87 16.920 -0.963 -11.255 1.00 0.00 C ATOM 1300 C PRO A 87 18.018 -1.569 -12.130 1.00 0.00 C ATOM 1301 O PRO A 87 17.922 -2.723 -12.555 1.00 0.00 O ATOM 1302 CB PRO A 87 16.263 -2.036 -10.382 1.00 0.00 C ATOM 1303 CG PRO A 87 15.075 -2.486 -11.161 1.00 0.00 C ATOM 1304 CD PRO A 87 14.594 -1.281 -11.923 1.00 0.00 C ATOM 0 HA PRO A 87 17.421 -0.182 -10.683 1.00 0.00 H new ATOM 0 HB2 PRO A 87 16.947 -2.863 -10.190 1.00 0.00 H new ATOM 0 HB3 PRO A 87 15.971 -1.633 -9.412 1.00 0.00 H new ATOM 0 HG2 PRO A 87 15.339 -3.297 -11.840 1.00 0.00 H new ATOM 0 HG3 PRO A 87 14.296 -2.865 -10.499 1.00 0.00 H new ATOM 0 HD2 PRO A 87 14.198 -1.557 -12.900 1.00 0.00 H new ATOM 0 HD3 PRO A 87 13.796 -0.763 -11.391 1.00 0.00 H new ATOM 1312 N GLY A 88 19.060 -0.780 -12.399 1.00 0.00 N ATOM 1313 CA GLY A 88 20.160 -1.251 -13.222 1.00 0.00 C ATOM 1314 C GLY A 88 19.857 -1.146 -14.706 1.00 0.00 C ATOM 1315 O GLY A 88 20.475 -0.350 -15.416 1.00 0.00 O ATOM 0 H GLY A 88 19.159 0.177 -12.060 1.00 0.00 H new ATOM 0 HA2 GLY A 88 21.055 -0.672 -12.994 1.00 0.00 H new ATOM 0 HA3 GLY A 88 20.380 -2.289 -12.971 1.00 0.00 H new ATOM 1319 N SER A 89 18.902 -1.949 -15.171 1.00 0.00 N ATOM 1320 CA SER A 89 18.509 -1.949 -16.577 1.00 0.00 C ATOM 1321 C SER A 89 17.053 -2.382 -16.741 1.00 0.00 C ATOM 1322 O SER A 89 16.567 -3.170 -15.900 1.00 0.00 O ATOM 1323 CB SER A 89 19.424 -2.877 -17.382 1.00 0.00 C ATOM 1324 OG SER A 89 20.526 -2.167 -17.923 1.00 0.00 O ATOM 1325 OXT SER A 89 16.408 -1.929 -17.710 1.00 0.00 O ATOM 0 H SER A 89 18.385 -2.610 -14.591 1.00 0.00 H new ATOM 0 HA SER A 89 18.608 -0.931 -16.955 1.00 0.00 H new ATOM 0 HB2 SER A 89 19.785 -3.681 -16.741 1.00 0.00 H new ATOM 0 HB3 SER A 89 18.856 -3.342 -18.188 1.00 0.00 H new ATOM 0 HG SER A 89 20.774 -1.437 -17.318 1.00 0.00 H new TER 1331 SER A 89 ATOM 1332 N VAL B 90 -1.291 15.857 14.820 1.00 0.00 N ATOM 1333 CA VAL B 90 -0.061 15.959 13.983 1.00 0.00 C ATOM 1334 C VAL B 90 -0.384 16.318 12.528 1.00 0.00 C ATOM 1335 O VAL B 90 0.417 16.967 11.857 1.00 0.00 O ATOM 1336 CB VAL B 90 0.758 14.647 14.006 1.00 0.00 C ATOM 1337 CG1 VAL B 90 1.266 14.362 15.411 1.00 0.00 C ATOM 1338 CG2 VAL B 90 -0.065 13.477 13.477 1.00 0.00 C ATOM 0 HA VAL B 90 0.533 16.761 14.421 1.00 0.00 H new ATOM 0 HB VAL B 90 1.618 14.771 13.348 1.00 0.00 H new ATOM 0 HG11 VAL B 90 1.840 13.435 15.409 1.00 0.00 H new ATOM 0 HG12 VAL B 90 1.903 15.183 15.741 1.00 0.00 H new ATOM 0 HG13 VAL B 90 0.420 14.263 16.091 1.00 0.00 H new ATOM 0 HG21 VAL B 90 0.536 12.568 13.505 1.00 0.00 H new ATOM 0 HG22 VAL B 90 -0.951 13.345 14.098 1.00 0.00 H new ATOM 0 HG23 VAL B 90 -0.368 13.680 12.450 1.00 0.00 H new ATOM 1350 N GLU B 91 -1.559 15.882 12.046 1.00 0.00 N ATOM 1351 CA GLU B 91 -1.987 16.145 10.671 1.00 0.00 C ATOM 1352 C GLU B 91 -1.033 15.492 9.668 1.00 0.00 C ATOM 1353 O GLU B 91 -0.081 16.117 9.195 1.00 0.00 O ATOM 1354 CB GLU B 91 -2.084 17.654 10.417 1.00 0.00 C ATOM 1355 CG GLU B 91 -2.601 18.008 9.031 1.00 0.00 C ATOM 1356 CD GLU B 91 -3.852 18.863 9.074 1.00 0.00 C ATOM 1357 OE1 GLU B 91 -3.720 20.102 9.155 1.00 0.00 O ATOM 1358 OE2 GLU B 91 -4.963 18.293 9.028 1.00 0.00 O ATOM 0 H GLU B 91 -2.229 15.344 12.595 1.00 0.00 H new ATOM 0 HA GLU B 91 -2.976 15.707 10.534 1.00 0.00 H new ATOM 0 HB2 GLU B 91 -2.741 18.098 11.165 1.00 0.00 H new ATOM 0 HB3 GLU B 91 -1.099 18.101 10.553 1.00 0.00 H new ATOM 0 HG2 GLU B 91 -1.823 18.538 8.482 1.00 0.00 H new ATOM 0 HG3 GLU B 91 -2.811 17.091 8.481 1.00 0.00 H new ATOM 1365 N ASN B 92 -1.292 14.222 9.354 1.00 0.00 N ATOM 1366 CA ASN B 92 -0.455 13.474 8.415 1.00 0.00 C ATOM 1367 C ASN B 92 -1.280 12.450 7.628 1.00 0.00 C ATOM 1368 O ASN B 92 -2.496 12.354 7.805 1.00 0.00 O ATOM 1369 CB ASN B 92 0.672 12.762 9.173 1.00 0.00 C ATOM 1370 CG ASN B 92 2.029 12.964 8.526 1.00 0.00 C ATOM 1371 OD1 ASN B 92 2.192 12.762 7.323 1.00 0.00 O ATOM 1372 ND2 ASN B 92 3.013 13.362 9.325 1.00 0.00 N ATOM 0 H ASN B 92 -2.074 13.690 9.736 1.00 0.00 H new ATOM 0 HA ASN B 92 -0.027 14.182 7.706 1.00 0.00 H new ATOM 0 HB2 ASN B 92 0.704 13.130 10.198 1.00 0.00 H new ATOM 0 HB3 ASN B 92 0.453 11.695 9.224 1.00 0.00 H new ATOM 0 HD21 ASN B 92 3.948 13.512 8.947 1.00 0.00 H new ATOM 0 HD22 ASN B 92 2.833 13.518 10.317 1.00 0.00 H new ATOM 1379 N LYS B 93 -0.606 11.686 6.762 1.00 0.00 N ATOM 1380 CA LYS B 93 -1.270 10.666 5.951 1.00 0.00 C ATOM 1381 C LYS B 93 -0.354 9.457 5.725 1.00 0.00 C ATOM 1382 O LYS B 93 -0.200 8.978 4.599 1.00 0.00 O ATOM 1383 CB LYS B 93 -1.714 11.261 4.608 1.00 0.00 C ATOM 1384 CG LYS B 93 -3.147 11.771 4.615 1.00 0.00 C ATOM 1385 CD LYS B 93 -3.322 12.953 3.677 1.00 0.00 C ATOM 1386 CE LYS B 93 -3.559 14.246 4.440 1.00 0.00 C ATOM 1387 NZ LYS B 93 -3.718 15.410 3.524 1.00 0.00 N ATOM 0 H LYS B 93 0.400 11.757 6.606 1.00 0.00 H new ATOM 0 HA LYS B 93 -2.151 10.323 6.492 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -1.046 12.081 4.344 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -1.610 10.503 3.832 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -3.822 10.968 4.319 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -3.425 12.064 5.627 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -2.435 13.056 3.052 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -4.162 12.766 3.008 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -4.452 14.145 5.057 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -2.723 14.427 5.116 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -3.878 16.272 4.083 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -2.856 15.522 2.953 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -4.531 15.249 2.896 1.00 0.00 H new ATOM 1401 N VAL B 94 0.245 8.963 6.810 1.00 0.00 N ATOM 1402 CA VAL B 94 1.138 7.805 6.741 1.00 0.00 C ATOM 1403 C VAL B 94 0.431 6.550 7.251 1.00 0.00 C ATOM 1404 O VAL B 94 -0.263 6.593 8.269 1.00 0.00 O ATOM 1405 CB VAL B 94 2.425 8.034 7.566 1.00 0.00 C ATOM 1406 CG1 VAL B 94 3.430 6.913 7.334 1.00 0.00 C ATOM 1407 CG2 VAL B 94 3.043 9.385 7.232 1.00 0.00 C ATOM 0 H VAL B 94 0.128 9.347 7.748 1.00 0.00 H new ATOM 0 HA VAL B 94 1.413 7.670 5.695 1.00 0.00 H new ATOM 0 HB VAL B 94 2.153 8.030 8.622 1.00 0.00 H new ATOM 0 HG11 VAL B 94 4.326 7.099 7.926 1.00 0.00 H new ATOM 0 HG12 VAL B 94 2.989 5.962 7.632 1.00 0.00 H new ATOM 0 HG13 VAL B 94 3.695 6.875 6.277 1.00 0.00 H new ATOM 0 HG21 VAL B 94 3.948 9.527 7.823 1.00 0.00 H new ATOM 0 HG22 VAL B 94 3.293 9.418 6.172 1.00 0.00 H new ATOM 0 HG23 VAL B 94 2.331 10.178 7.462 1.00 0.00 H new ATOM 1417 N THR B 95 0.611 5.434 6.542 1.00 0.00 N ATOM 1418 CA THR B 95 -0.013 4.167 6.924 1.00 0.00 C ATOM 1419 C THR B 95 1.010 3.028 6.914 1.00 0.00 C ATOM 1420 O THR B 95 1.554 2.675 5.865 1.00 0.00 O ATOM 1421 CB THR B 95 -1.181 3.843 5.982 1.00 0.00 C ATOM 1422 OG1 THR B 95 -2.078 4.945 5.896 1.00 0.00 O ATOM 1423 CG2 THR B 95 -1.973 2.624 6.408 1.00 0.00 C ATOM 0 H THR B 95 1.184 5.383 5.700 1.00 0.00 H new ATOM 0 HA THR B 95 -0.397 4.270 7.939 1.00 0.00 H new ATOM 0 HB THR B 95 -0.726 3.634 5.014 1.00 0.00 H new ATOM 0 HG1 THR B 95 -2.256 5.293 6.795 1.00 0.00 H new ATOM 0 HG21 THR B 95 -2.783 2.451 5.700 1.00 0.00 H new ATOM 0 HG22 THR B 95 -1.317 1.753 6.429 1.00 0.00 H new ATOM 0 HG23 THR B 95 -2.389 2.789 7.402 1.00 0.00 H new ATOM 1431 N ASP B 96 1.264 2.461 8.095 1.00 0.00 N ATOM 1432 CA ASP B 96 2.221 1.365 8.243 1.00 0.00 C ATOM 1433 C ASP B 96 1.525 0.089 8.725 1.00 0.00 C ATOM 1434 O ASP B 96 0.739 0.123 9.674 1.00 0.00 O ATOM 1435 CB ASP B 96 3.325 1.773 9.231 1.00 0.00 C ATOM 1436 CG ASP B 96 4.438 0.745 9.350 1.00 0.00 C ATOM 1437 OD1 ASP B 96 4.745 0.071 8.344 1.00 0.00 O ATOM 1438 OD2 ASP B 96 5.007 0.618 10.453 1.00 0.00 O ATOM 0 H ASP B 96 0.817 2.745 8.967 1.00 0.00 H new ATOM 0 HA ASP B 96 2.665 1.158 7.269 1.00 0.00 H new ATOM 0 HB2 ASP B 96 3.752 2.725 8.915 1.00 0.00 H new ATOM 0 HB3 ASP B 96 2.882 1.933 10.214 1.00 0.00 H new ATOM 1443 N LEU B 97 1.822 -1.033 8.066 1.00 0.00 N ATOM 1444 CA LEU B 97 1.230 -2.321 8.425 1.00 0.00 C ATOM 1445 C LEU B 97 2.271 -3.255 9.042 1.00 0.00 C ATOM 1446 O LEU B 97 3.479 -3.033 8.814 1.00 0.00 O ATOM 1447 CB LEU B 97 0.607 -2.985 7.194 1.00 0.00 C ATOM 1448 CG LEU B 97 -0.817 -2.531 6.869 1.00 0.00 C ATOM 1449 CD1 LEU B 97 -0.797 -1.254 6.041 1.00 0.00 C ATOM 1450 CD2 LEU B 97 -1.576 -3.632 6.142 1.00 0.00 C ATOM 1451 OXT LEU B 97 1.866 -4.206 9.745 1.00 0.00 O ATOM 0 H LEU B 97 2.470 -1.074 7.280 1.00 0.00 H new ATOM 0 HA LEU B 97 0.452 -2.133 9.165 1.00 0.00 H new ATOM 0 HB2 LEU B 97 1.242 -2.786 6.331 1.00 0.00 H new ATOM 0 HB3 LEU B 97 0.603 -4.065 7.344 1.00 0.00 H new ATOM 0 HG LEU B 97 -1.333 -2.321 7.806 1.00 0.00 H new ATOM 0 HD11 LEU B 97 -1.819 -0.947 5.820 1.00 0.00 H new ATOM 0 HD12 LEU B 97 -0.295 -0.465 6.601 1.00 0.00 H new ATOM 0 HD13 LEU B 97 -0.263 -1.434 5.108 1.00 0.00 H new ATOM 0 HD21 LEU B 97 -2.587 -3.291 5.919 1.00 0.00 H new ATOM 0 HD22 LEU B 97 -1.062 -3.875 5.212 1.00 0.00 H new ATOM 0 HD23 LEU B 97 -1.623 -4.519 6.773 1.00 0.00 H new TER 1463 LEU B 97