USER MOD reduce.3.24.130724 H: found=0, std=0, add=1293, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1293 hydrogens (26 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 112 THR OG1 : rot -122:sc= 1.12 USER MOD Set 1.2: A 159 GLN : amide:sc= -0.727 K(o=0.4,f=-2.3) USER MOD Set 2.1: A 7 GLN : amide:sc= -4.29 K(o=-5,f=-9.8!) USER MOD Set 2.2: A 128 MET CE :methyl -119:sc= -0.677 (180deg=-1.57) USER MOD Set 3.1: A 116 THR OG1 : rot 57:sc= -0.58 USER MOD Set 3.2: A 155 TYR OH : rot 142:sc= 1.27 USER MOD Set 4.1: A 39 MET CE :methyl -124:sc= -1.65 (180deg=-5.58!) USER MOD Set 4.2: A 59 ASN :FLIP amide:sc= -0.924 F(o=-4.3,f=-2.6) USER MOD Single : A 1 THR N :NH3+ 167:sc= -0.185 (180deg=-0.622) USER MOD Single : A 1 THR OG1 : rot 54:sc= -0.96 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.509 X(o=-0.51,f=-0.1) USER MOD Single : A 22 HIS : no HD1:sc= -0.174 X(o=-0.17,f=-0.0023) USER MOD Single : A 28 HIS : no HD1:sc= -0.0103 X(o=-0.01,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.734 K(o=-0.73,f=-2.7!) USER MOD Single : A 34 THR OG1 : rot -18:sc= 0.774 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 56:sc= 0.0198 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -170:sc=-0.00886 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 80:sc= 0.253 USER MOD Single : A 63 THR OG1 : rot 106:sc= 0.196 USER MOD Single : A 64 HIS :FLIP no HD1:sc= -0.523 F(o=-1.8,f=-0.52) USER MOD Single : A 65 GLN : amide:sc= -0.0673 X(o=-0.067,f=-0.37) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.0051) USER MOD Single : A 71 GLN : amide:sc= -0.242 K(o=-0.24,f=-2.4!) USER MOD Single : A 77 HIS :FLIP no HD1:sc= -2.91! F(o=-3.8,f=-2.9!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= -0.433 X(o=-0.43,f=-0.26) USER MOD Single : A 89 HIS :FLIP no HD1:sc= -1.61 F(o=-3.1!,f=-1.6) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 GLN : amide:sc= -0.278 K(o=-0.28,f=-2.5!) USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.259 USER MOD Single : A 107 LYS NZ :NH3+ -143:sc= 0.00531 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= -0.0989 USER MOD Single : A 126 THR OG1 : rot 8:sc= 0.134 USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 ASN : amide:sc= -0.213 K(o=-0.21,f=-2.2!) USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD Single : A 141 SER OG : rot 180:sc= 0 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 147 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 ASN : amide:sc= -0.898 K(o=-0.9,f=-3.3!) USER MOD Single : A 152 THR OG1 : rot -50:sc= 0.0557 USER MOD Single : A 153 HIS : no HE2:sc= -0.602 K(o=-0.6,f=-1.8) USER MOD Single : A 154 THR OG1 : rot 180:sc= 0 USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 161 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 NDP O2D : rot -24:sc= 0.136 USER MOD Single : A 170 NDP O3B : rot 50:sc= 0.922 USER MOD Single : A 170 NDP O3D : rot -19:sc= -0.914 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -11.818 -4.424 3.793 1.00 1.00 N ATOM 2 CA THR A 1 -10.678 -3.472 3.809 1.00 1.00 C ATOM 3 C THR A 1 -9.387 -4.164 3.410 1.00 1.00 C ATOM 4 O THR A 1 -9.220 -5.369 3.598 1.00 1.00 O ATOM 5 CB THR A 1 -10.569 -2.876 5.219 1.00 1.00 C ATOM 6 OG1 THR A 1 -9.280 -2.317 5.428 1.00 1.00 O ATOM 7 CG2 THR A 1 -10.800 -3.890 6.317 1.00 1.00 C ATOM 0 H1 THR A 1 -12.635 -3.996 4.273 1.00 1.00 H new ATOM 0 H2 THR A 1 -12.072 -4.645 2.809 1.00 1.00 H new ATOM 0 H3 THR A 1 -11.547 -5.299 4.285 1.00 1.00 H new ATOM 0 HA THR A 1 -10.851 -2.676 3.084 1.00 1.00 H new ATOM 0 HB THR A 1 -11.349 -2.117 5.271 1.00 1.00 H new ATOM 0 HG1 THR A 1 -9.084 -1.672 4.717 1.00 1.00 H new ATOM 0 HG21 THR A 1 -10.708 -3.403 7.288 1.00 1.00 H new ATOM 0 HG22 THR A 1 -11.799 -4.314 6.217 1.00 1.00 H new ATOM 0 HG23 THR A 1 -10.059 -4.686 6.239 1.00 1.00 H new ATOM 17 N ALA A 2 -8.459 -3.391 2.866 1.00 1.00 N ATOM 18 CA ALA A 2 -7.173 -3.938 2.449 1.00 1.00 C ATOM 19 C ALA A 2 -6.067 -2.907 2.557 1.00 1.00 C ATOM 20 O ALA A 2 -6.307 -1.698 2.425 1.00 1.00 O ATOM 21 CB ALA A 2 -7.274 -4.461 1.026 1.00 1.00 C ATOM 0 H ALA A 2 -8.569 -2.390 2.703 1.00 1.00 H new ATOM 0 HA ALA A 2 -6.920 -4.760 3.119 1.00 1.00 H new ATOM 0 HB1 ALA A 2 -6.311 -4.869 0.719 1.00 1.00 H new ATOM 0 HB2 ALA A 2 -8.031 -5.244 0.979 1.00 1.00 H new ATOM 0 HB3 ALA A 2 -7.553 -3.646 0.358 1.00 1.00 H new ATOM 27 N PHE A 3 -4.853 -3.388 2.782 1.00 1.00 N ATOM 28 CA PHE A 3 -3.694 -2.518 2.899 1.00 1.00 C ATOM 29 C PHE A 3 -2.718 -2.761 1.756 1.00 1.00 C ATOM 30 O PHE A 3 -2.391 -3.895 1.440 1.00 1.00 O ATOM 31 CB PHE A 3 -2.988 -2.773 4.239 1.00 1.00 C ATOM 32 CG PHE A 3 -3.765 -2.365 5.460 1.00 1.00 C ATOM 33 CD1 PHE A 3 -4.943 -1.643 5.352 1.00 1.00 C ATOM 34 CD2 PHE A 3 -3.307 -2.707 6.723 1.00 1.00 C ATOM 35 CE1 PHE A 3 -5.650 -1.271 6.479 1.00 1.00 C ATOM 36 CE2 PHE A 3 -4.010 -2.337 7.853 1.00 1.00 C ATOM 37 CZ PHE A 3 -5.183 -1.618 7.731 1.00 1.00 C ATOM 0 H PHE A 3 -4.646 -4.381 2.887 1.00 1.00 H new ATOM 0 HA PHE A 3 -4.034 -1.483 2.853 1.00 1.00 H new ATOM 0 HB2 PHE A 3 -2.757 -3.836 4.313 1.00 1.00 H new ATOM 0 HB3 PHE A 3 -2.037 -2.240 4.238 1.00 1.00 H new ATOM 0 HD1 PHE A 3 -5.313 -1.368 4.375 1.00 1.00 H new ATOM 0 HD2 PHE A 3 -2.390 -3.269 6.825 1.00 1.00 H new ATOM 0 HE1 PHE A 3 -6.567 -0.709 6.381 1.00 1.00 H new ATOM 0 HE2 PHE A 3 -3.643 -2.610 8.831 1.00 1.00 H new ATOM 0 HZ PHE A 3 -5.734 -1.328 8.613 1.00 1.00 H new ATOM 47 N LEU A 4 -2.262 -1.674 1.137 1.00 1.00 N ATOM 48 CA LEU A 4 -1.321 -1.781 0.031 1.00 1.00 C ATOM 49 C LEU A 4 0.066 -1.323 0.451 1.00 1.00 C ATOM 50 O LEU A 4 0.246 -0.215 0.943 1.00 1.00 O ATOM 51 CB LEU A 4 -1.805 -0.958 -1.160 1.00 1.00 C ATOM 52 CG LEU A 4 -3.316 -0.981 -1.410 1.00 1.00 C ATOM 53 CD1 LEU A 4 -3.661 -0.293 -2.721 1.00 1.00 C ATOM 54 CD2 LEU A 4 -3.815 -2.423 -1.425 1.00 1.00 C ATOM 0 H LEU A 4 -2.527 -0.720 1.381 1.00 1.00 H new ATOM 0 HA LEU A 4 -1.263 -2.829 -0.262 1.00 1.00 H new ATOM 0 HB2 LEU A 4 -1.495 0.077 -1.014 1.00 1.00 H new ATOM 0 HB3 LEU A 4 -1.301 -1.318 -2.057 1.00 1.00 H new ATOM 0 HG LEU A 4 -3.808 -0.438 -0.603 1.00 1.00 H new ATOM 0 HD11 LEU A 4 -4.740 -0.323 -2.875 1.00 1.00 H new ATOM 0 HD12 LEU A 4 -3.328 0.744 -2.686 1.00 1.00 H new ATOM 0 HD13 LEU A 4 -3.163 -0.806 -3.543 1.00 1.00 H new ATOM 0 HD21 LEU A 4 -4.890 -2.434 -1.603 1.00 1.00 H new ATOM 0 HD22 LEU A 4 -3.310 -2.975 -2.218 1.00 1.00 H new ATOM 0 HD23 LEU A 4 -3.602 -2.892 -0.464 1.00 1.00 H new ATOM 66 N TRP A 5 1.061 -2.180 0.250 1.00 1.00 N ATOM 67 CA TRP A 5 2.431 -1.838 0.605 1.00 1.00 C ATOM 68 C TRP A 5 3.428 -2.525 -0.327 1.00 1.00 C ATOM 69 O TRP A 5 3.102 -3.511 -0.995 1.00 1.00 O ATOM 70 CB TRP A 5 2.724 -2.215 2.068 1.00 1.00 C ATOM 71 CG TRP A 5 3.230 -3.611 2.267 1.00 1.00 C ATOM 72 CD1 TRP A 5 4.479 -4.080 1.974 1.00 1.00 C ATOM 73 CD2 TRP A 5 2.505 -4.717 2.817 1.00 1.00 C ATOM 74 NE1 TRP A 5 4.573 -5.408 2.305 1.00 1.00 N ATOM 75 CE2 TRP A 5 3.376 -5.822 2.824 1.00 1.00 C ATOM 76 CE3 TRP A 5 1.204 -4.881 3.305 1.00 1.00 C ATOM 77 CZ2 TRP A 5 2.990 -7.071 3.298 1.00 1.00 C ATOM 78 CZ3 TRP A 5 0.822 -6.124 3.776 1.00 1.00 C ATOM 79 CH2 TRP A 5 1.713 -7.204 3.769 1.00 1.00 C ATOM 0 H TRP A 5 0.945 -3.109 -0.154 1.00 1.00 H new ATOM 0 HA TRP A 5 2.545 -0.760 0.493 1.00 1.00 H new ATOM 0 HB2 TRP A 5 3.459 -1.517 2.468 1.00 1.00 H new ATOM 0 HB3 TRP A 5 1.812 -2.087 2.651 1.00 1.00 H new ATOM 0 HD1 TRP A 5 5.276 -3.491 1.544 1.00 1.00 H new ATOM 0 HE1 TRP A 5 5.400 -5.992 2.184 1.00 1.00 H new ATOM 0 HE3 TRP A 5 0.511 -4.053 3.314 1.00 1.00 H new ATOM 0 HZ2 TRP A 5 3.674 -7.906 3.294 1.00 1.00 H new ATOM 0 HZ3 TRP A 5 -0.180 -6.264 4.155 1.00 1.00 H new ATOM 0 HH2 TRP A 5 1.385 -8.162 4.143 1.00 1.00 H new ATOM 90 N ALA A 6 4.652 -1.994 -0.359 1.00 1.00 N ATOM 91 CA ALA A 6 5.711 -2.551 -1.185 1.00 1.00 C ATOM 92 C ALA A 6 6.999 -2.649 -0.374 1.00 1.00 C ATOM 93 O ALA A 6 7.270 -1.804 0.476 1.00 1.00 O ATOM 94 CB ALA A 6 5.918 -1.699 -2.430 1.00 1.00 C ATOM 0 H ALA A 6 4.929 -1.175 0.182 1.00 1.00 H new ATOM 0 HA ALA A 6 5.424 -3.552 -1.507 1.00 1.00 H new ATOM 0 HB1 ALA A 6 6.714 -2.130 -3.037 1.00 1.00 H new ATOM 0 HB2 ALA A 6 4.995 -1.670 -3.009 1.00 1.00 H new ATOM 0 HB3 ALA A 6 6.193 -0.686 -2.136 1.00 1.00 H new ATOM 100 N GLN A 7 7.790 -3.680 -0.629 1.00 1.00 N ATOM 101 CA GLN A 7 9.036 -3.871 0.104 1.00 1.00 C ATOM 102 C GLN A 7 10.159 -4.370 -0.826 1.00 1.00 C ATOM 103 O GLN A 7 9.900 -5.034 -1.817 1.00 1.00 O ATOM 104 CB GLN A 7 8.795 -4.864 1.267 1.00 1.00 C ATOM 105 CG GLN A 7 10.045 -5.328 2.003 1.00 1.00 C ATOM 106 CD GLN A 7 10.349 -6.798 1.781 1.00 1.00 C ATOM 107 OE1 GLN A 7 10.799 -7.487 2.695 1.00 1.00 O ATOM 108 NE2 GLN A 7 10.092 -7.289 0.574 1.00 1.00 N ATOM 0 H GLN A 7 7.595 -4.393 -1.332 1.00 1.00 H new ATOM 0 HA GLN A 7 9.359 -2.913 0.512 1.00 1.00 H new ATOM 0 HB2 GLN A 7 8.123 -4.397 1.987 1.00 1.00 H new ATOM 0 HB3 GLN A 7 8.280 -5.740 0.873 1.00 1.00 H new ATOM 0 HG2 GLN A 7 10.896 -4.732 1.674 1.00 1.00 H new ATOM 0 HG3 GLN A 7 9.921 -5.145 3.070 1.00 1.00 H new ATOM 0 HE21 GLN A 7 9.719 -6.681 -0.155 1.00 1.00 H new ATOM 0 HE22 GLN A 7 10.268 -8.274 0.376 1.00 1.00 H new ATOM 117 N ASP A 8 11.392 -4.036 -0.471 1.00 1.00 N ATOM 118 CA ASP A 8 12.560 -4.445 -1.247 1.00 1.00 C ATOM 119 C ASP A 8 12.850 -5.924 -1.014 1.00 1.00 C ATOM 120 O ASP A 8 12.523 -6.482 0.041 1.00 1.00 O ATOM 121 CB ASP A 8 13.789 -3.603 -0.893 1.00 1.00 C ATOM 122 CG ASP A 8 13.900 -2.332 -1.718 1.00 1.00 C ATOM 123 OD1 ASP A 8 14.323 -2.417 -2.889 1.00 1.00 O ATOM 124 OD2 ASP A 8 13.556 -1.251 -1.191 1.00 1.00 O ATOM 0 H ASP A 8 11.612 -3.479 0.355 1.00 1.00 H new ATOM 0 HA ASP A 8 12.337 -4.284 -2.302 1.00 1.00 H new ATOM 0 HB2 ASP A 8 13.749 -3.340 0.164 1.00 1.00 H new ATOM 0 HB3 ASP A 8 14.687 -4.203 -1.039 1.00 1.00 H new ATOM 129 N ARG A 9 13.468 -6.568 -1.986 1.00 1.00 N ATOM 130 CA ARG A 9 13.797 -7.972 -1.866 1.00 1.00 C ATOM 131 C ARG A 9 14.732 -8.211 -0.690 1.00 1.00 C ATOM 132 O ARG A 9 14.569 -9.173 0.052 1.00 1.00 O ATOM 133 CB ARG A 9 14.416 -8.517 -3.158 1.00 1.00 C ATOM 134 CG ARG A 9 15.683 -7.792 -3.584 1.00 1.00 C ATOM 135 CD ARG A 9 16.465 -8.604 -4.614 1.00 1.00 C ATOM 136 NE ARG A 9 15.579 -9.250 -5.583 1.00 1.00 N ATOM 137 CZ ARG A 9 15.961 -10.226 -6.406 1.00 1.00 C ATOM 138 NH1 ARG A 9 17.199 -10.706 -6.355 1.00 1.00 N ATOM 139 NH2 ARG A 9 15.102 -10.729 -7.280 1.00 1.00 N ATOM 0 H ARG A 9 13.752 -6.139 -2.867 1.00 1.00 H new ATOM 0 HA ARG A 9 12.866 -8.510 -1.686 1.00 1.00 H new ATOM 0 HB2 ARG A 9 14.641 -9.575 -3.024 1.00 1.00 H new ATOM 0 HB3 ARG A 9 13.681 -8.447 -3.960 1.00 1.00 H new ATOM 0 HG2 ARG A 9 15.425 -6.820 -4.004 1.00 1.00 H new ATOM 0 HG3 ARG A 9 16.310 -7.607 -2.712 1.00 1.00 H new ATOM 0 HD2 ARG A 9 17.162 -7.951 -5.138 1.00 1.00 H new ATOM 0 HD3 ARG A 9 17.060 -9.362 -4.104 1.00 1.00 H new ATOM 0 HE ARG A 9 14.610 -8.934 -5.631 1.00 1.00 H new ATOM 0 HH11 ARG A 9 17.865 -10.327 -5.682 1.00 1.00 H new ATOM 0 HH12 ARG A 9 17.483 -11.453 -6.989 1.00 1.00 H new ATOM 0 HH21 ARG A 9 14.149 -10.369 -7.323 1.00 1.00 H new ATOM 0 HH22 ARG A 9 15.394 -11.476 -7.910 1.00 1.00 H new ATOM 153 N ASP A 10 15.717 -7.324 -0.521 1.00 1.00 N ATOM 154 CA ASP A 10 16.675 -7.436 0.571 1.00 1.00 C ATOM 155 C ASP A 10 15.957 -7.385 1.915 1.00 1.00 C ATOM 156 O ASP A 10 16.304 -8.106 2.849 1.00 1.00 O ATOM 157 CB ASP A 10 17.717 -6.324 0.495 1.00 1.00 C ATOM 158 CG ASP A 10 18.873 -6.567 1.448 1.00 1.00 C ATOM 159 OD1 ASP A 10 18.881 -7.626 2.110 1.00 1.00 O ATOM 160 OD2 ASP A 10 19.760 -5.693 1.542 1.00 1.00 O ATOM 0 H ASP A 10 15.868 -6.520 -1.131 1.00 1.00 H new ATOM 0 HA ASP A 10 17.184 -8.395 0.477 1.00 1.00 H new ATOM 0 HB2 ASP A 10 18.096 -6.250 -0.524 1.00 1.00 H new ATOM 0 HB3 ASP A 10 17.247 -5.369 0.730 1.00 1.00 H new ATOM 165 N GLY A 11 14.950 -6.520 2.009 1.00 1.00 N ATOM 166 CA GLY A 11 14.190 -6.379 3.231 1.00 1.00 C ATOM 167 C GLY A 11 14.134 -4.948 3.709 1.00 1.00 C ATOM 168 O GLY A 11 14.373 -4.678 4.888 1.00 1.00 O ATOM 0 H GLY A 11 14.648 -5.910 1.249 1.00 1.00 H new ATOM 0 HA2 GLY A 11 13.176 -6.746 3.070 1.00 1.00 H new ATOM 0 HA3 GLY A 11 14.635 -7.002 4.007 1.00 1.00 H new ATOM 172 N LEU A 12 13.830 -4.024 2.793 1.00 1.00 N ATOM 173 CA LEU A 12 13.754 -2.603 3.125 1.00 1.00 C ATOM 174 C LEU A 12 12.450 -1.991 2.601 1.00 1.00 C ATOM 175 O LEU A 12 11.979 -2.350 1.521 1.00 1.00 O ATOM 176 CB LEU A 12 14.948 -1.860 2.528 1.00 1.00 C ATOM 177 CG LEU A 12 15.514 -0.726 3.396 1.00 1.00 C ATOM 178 CD1 LEU A 12 16.901 -1.087 3.915 1.00 1.00 C ATOM 179 CD2 LEU A 12 15.571 0.581 2.611 1.00 1.00 C ATOM 0 H LEU A 12 13.633 -4.237 1.815 1.00 1.00 H new ATOM 0 HA LEU A 12 13.773 -2.505 4.210 1.00 1.00 H new ATOM 0 HB2 LEU A 12 15.744 -2.580 2.335 1.00 1.00 H new ATOM 0 HB3 LEU A 12 14.652 -1.445 1.564 1.00 1.00 H new ATOM 0 HG LEU A 12 14.847 -0.590 4.247 1.00 1.00 H new ATOM 0 HD11 LEU A 12 17.284 -0.271 4.527 1.00 1.00 H new ATOM 0 HD12 LEU A 12 16.840 -1.994 4.516 1.00 1.00 H new ATOM 0 HD13 LEU A 12 17.572 -1.255 3.073 1.00 1.00 H new ATOM 0 HD21 LEU A 12 15.975 1.369 3.246 1.00 1.00 H new ATOM 0 HD22 LEU A 12 16.212 0.454 1.738 1.00 1.00 H new ATOM 0 HD23 LEU A 12 14.567 0.855 2.287 1.00 1.00 H new ATOM 191 N ILE A 13 11.883 -1.070 3.362 1.00 1.00 N ATOM 192 CA ILE A 13 10.643 -0.403 2.969 1.00 1.00 C ATOM 193 C ILE A 13 10.907 1.066 2.648 1.00 1.00 C ATOM 194 O ILE A 13 10.169 1.673 1.860 1.00 1.00 O ATOM 195 CB ILE A 13 9.562 -0.510 4.065 1.00 1.00 C ATOM 196 CG1 ILE A 13 10.040 0.151 5.350 1.00 1.00 C ATOM 197 CG2 ILE A 13 9.192 -1.969 4.314 1.00 1.00 C ATOM 198 CD1 ILE A 13 8.923 0.552 6.282 1.00 1.00 C ATOM 0 H ILE A 13 12.259 -0.763 4.259 1.00 1.00 H new ATOM 0 HA ILE A 13 10.271 -0.909 2.078 1.00 1.00 H new ATOM 0 HB ILE A 13 8.670 0.013 3.721 1.00 1.00 H new ATOM 0 HG12 ILE A 13 10.708 -0.533 5.873 1.00 1.00 H new ATOM 0 HG13 ILE A 13 10.624 1.036 5.097 1.00 1.00 H new ATOM 0 HG21 ILE A 13 8.428 -2.023 5.090 1.00 1.00 H new ATOM 0 HG22 ILE A 13 8.806 -2.409 3.394 1.00 1.00 H new ATOM 0 HG23 ILE A 13 10.076 -2.519 4.636 1.00 1.00 H new ATOM 0 HD11 ILE A 13 9.343 1.016 7.175 1.00 1.00 H new ATOM 0 HD12 ILE A 13 8.266 1.262 5.779 1.00 1.00 H new ATOM 0 HD13 ILE A 13 8.352 -0.332 6.567 1.00 1.00 H new ATOM 210 N GLY A 14 11.944 1.633 3.268 1.00 1.00 N ATOM 211 CA GLY A 14 12.277 3.035 3.030 1.00 1.00 C ATOM 212 C GLY A 14 13.516 3.483 3.782 1.00 1.00 C ATOM 213 O GLY A 14 13.979 2.795 4.704 1.00 1.00 O ATOM 0 H GLY A 14 12.557 1.152 3.927 1.00 1.00 H new ATOM 0 HA2 GLY A 14 12.430 3.191 1.962 1.00 1.00 H new ATOM 0 HA3 GLY A 14 11.433 3.659 3.325 1.00 1.00 H new ATOM 217 N LYS A 15 14.057 4.633 3.408 1.00 1.00 N ATOM 218 CA LYS A 15 15.253 5.172 4.057 1.00 1.00 C ATOM 219 C LYS A 15 14.927 5.707 5.452 1.00 1.00 C ATOM 220 O LYS A 15 15.279 5.083 6.452 1.00 1.00 O ATOM 221 CB LYS A 15 15.851 6.291 3.209 1.00 1.00 C ATOM 222 CG LYS A 15 16.893 5.804 2.210 1.00 1.00 C ATOM 223 CD LYS A 15 17.510 6.956 1.441 1.00 1.00 C ATOM 224 CE LYS A 15 18.931 7.243 1.908 1.00 1.00 C ATOM 225 NZ LYS A 15 19.559 8.354 1.141 1.00 1.00 N ATOM 0 H LYS A 15 13.689 5.216 2.656 1.00 1.00 H new ATOM 0 HA LYS A 15 15.976 4.362 4.155 1.00 1.00 H new ATOM 0 HB2 LYS A 15 15.049 6.796 2.669 1.00 1.00 H new ATOM 0 HB3 LYS A 15 16.307 7.031 3.867 1.00 1.00 H new ATOM 0 HG2 LYS A 15 17.675 5.257 2.737 1.00 1.00 H new ATOM 0 HG3 LYS A 15 16.431 5.106 1.512 1.00 1.00 H new ATOM 0 HD2 LYS A 15 17.516 6.722 0.376 1.00 1.00 H new ATOM 0 HD3 LYS A 15 16.897 7.849 1.568 1.00 1.00 H new ATOM 0 HE2 LYS A 15 18.920 7.496 2.968 1.00 1.00 H new ATOM 0 HE3 LYS A 15 19.536 6.342 1.802 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 20.525 8.515 1.492 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 19.594 8.103 0.132 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 18.997 9.221 1.263 1.00 1.00 H new ATOM 239 N ASP A 16 14.262 6.860 5.503 1.00 1.00 N ATOM 240 CA ASP A 16 13.895 7.476 6.775 1.00 1.00 C ATOM 241 C ASP A 16 12.715 8.424 6.599 1.00 1.00 C ATOM 242 O ASP A 16 12.741 9.565 7.048 1.00 1.00 O ATOM 243 CB ASP A 16 15.091 8.219 7.378 1.00 1.00 C ATOM 244 CG ASP A 16 15.734 9.173 6.394 1.00 1.00 C ATOM 245 OD1 ASP A 16 14.990 9.958 5.769 1.00 1.00 O ATOM 246 OD2 ASP A 16 16.971 9.123 6.227 1.00 1.00 O ATOM 0 H ASP A 16 13.967 7.385 4.680 1.00 1.00 H new ATOM 0 HA ASP A 16 13.597 6.683 7.461 1.00 1.00 H new ATOM 0 HB2 ASP A 16 14.765 8.774 8.257 1.00 1.00 H new ATOM 0 HB3 ASP A 16 15.833 7.495 7.715 1.00 1.00 H new ATOM 251 N GLY A 17 11.668 7.943 5.934 1.00 1.00 N ATOM 252 CA GLY A 17 10.495 8.759 5.708 1.00 1.00 C ATOM 253 C GLY A 17 10.399 9.258 4.284 1.00 1.00 C ATOM 254 O GLY A 17 9.913 10.368 4.027 1.00 1.00 O ATOM 0 H GLY A 17 11.614 7.000 5.548 1.00 1.00 H new ATOM 0 HA2 GLY A 17 9.603 8.180 5.947 1.00 1.00 H new ATOM 0 HA3 GLY A 17 10.514 9.611 6.387 1.00 1.00 H new ATOM 258 N HIS A 18 10.852 8.431 3.345 1.00 1.00 N ATOM 259 CA HIS A 18 10.822 8.774 1.934 1.00 1.00 C ATOM 260 C HIS A 18 10.999 7.544 1.063 1.00 1.00 C ATOM 261 O HIS A 18 11.458 6.503 1.534 1.00 1.00 O ATOM 262 CB HIS A 18 11.906 9.796 1.614 1.00 1.00 C ATOM 263 CG HIS A 18 11.646 10.571 0.361 1.00 1.00 C ATOM 264 ND1 HIS A 18 10.929 11.748 0.345 1.00 1.00 N ATOM 265 CD2 HIS A 18 12.010 10.335 -0.916 1.00 1.00 C ATOM 266 CE1 HIS A 18 10.862 12.202 -0.895 1.00 1.00 C ATOM 267 NE2 HIS A 18 11.511 11.361 -1.680 1.00 1.00 N ATOM 0 H HIS A 18 11.247 7.512 3.543 1.00 1.00 H new ATOM 0 HA HIS A 18 9.845 9.207 1.718 1.00 1.00 H new ATOM 0 HB2 HIS A 18 11.997 10.491 2.449 1.00 1.00 H new ATOM 0 HB3 HIS A 18 12.863 9.282 1.522 1.00 1.00 H new ATOM 0 HD2 HIS A 18 12.587 9.494 -1.272 1.00 1.00 H new ATOM 0 HE1 HIS A 18 10.362 13.106 -1.212 1.00 1.00 H new ATOM 0 HE2 HIS A 18 11.623 11.458 -2.689 1.00 1.00 H new ATOM 276 N LEU A 19 10.631 7.658 -0.208 1.00 1.00 N ATOM 277 CA LEU A 19 10.759 6.535 -1.143 1.00 1.00 C ATOM 278 C LEU A 19 12.084 6.617 -1.906 1.00 1.00 C ATOM 279 O LEU A 19 12.234 7.486 -2.770 1.00 1.00 O ATOM 280 CB LEU A 19 9.587 6.534 -2.123 1.00 1.00 C ATOM 281 CG LEU A 19 8.294 5.910 -1.589 1.00 1.00 C ATOM 282 CD1 LEU A 19 7.087 6.598 -2.207 1.00 1.00 C ATOM 283 CD2 LEU A 19 8.268 4.410 -1.856 1.00 1.00 C ATOM 0 H LEU A 19 10.244 8.508 -0.617 1.00 1.00 H new ATOM 0 HA LEU A 19 10.747 5.606 -0.573 1.00 1.00 H new ATOM 0 HB2 LEU A 19 9.380 7.562 -2.419 1.00 1.00 H new ATOM 0 HB3 LEU A 19 9.887 5.997 -3.023 1.00 1.00 H new ATOM 0 HG LEU A 19 8.255 6.055 -0.509 1.00 1.00 H new ATOM 0 HD11 LEU A 19 6.173 6.146 -1.820 1.00 1.00 H new ATOM 0 HD12 LEU A 19 7.103 7.658 -1.954 1.00 1.00 H new ATOM 0 HD13 LEU A 19 7.118 6.483 -3.291 1.00 1.00 H new ATOM 0 HD21 LEU A 19 7.341 3.987 -1.468 1.00 1.00 H new ATOM 0 HD22 LEU A 19 8.328 4.230 -2.929 1.00 1.00 H new ATOM 0 HD23 LEU A 19 9.117 3.938 -1.361 1.00 1.00 H new ATOM 295 N PRO A 20 13.050 5.727 -1.613 1.00 1.00 N ATOM 296 CA PRO A 20 14.343 5.731 -2.297 1.00 1.00 C ATOM 297 C PRO A 20 14.244 5.199 -3.722 1.00 1.00 C ATOM 298 O PRO A 20 14.974 5.637 -4.619 1.00 1.00 O ATOM 299 CB PRO A 20 15.199 4.803 -1.438 1.00 1.00 C ATOM 300 CG PRO A 20 14.233 3.875 -0.780 1.00 1.00 C ATOM 301 CD PRO A 20 12.962 4.657 -0.603 1.00 1.00 C ATOM 0 HA PRO A 20 14.750 6.737 -2.397 1.00 1.00 H new ATOM 0 HB2 PRO A 20 15.918 4.255 -2.047 1.00 1.00 H new ATOM 0 HB3 PRO A 20 15.770 5.366 -0.699 1.00 1.00 H new ATOM 0 HG2 PRO A 20 14.064 2.989 -1.392 1.00 1.00 H new ATOM 0 HG3 PRO A 20 14.616 3.530 0.181 1.00 1.00 H new ATOM 0 HD2 PRO A 20 12.084 4.031 -0.762 1.00 1.00 H new ATOM 0 HD3 PRO A 20 12.883 5.066 0.404 1.00 1.00 H new ATOM 309 N TRP A 21 13.323 4.248 -3.928 1.00 1.00 N ATOM 310 CA TRP A 21 13.132 3.651 -5.244 1.00 1.00 C ATOM 311 C TRP A 21 11.920 4.249 -5.944 1.00 1.00 C ATOM 312 O TRP A 21 11.023 4.797 -5.302 1.00 1.00 O ATOM 313 CB TRP A 21 12.969 2.133 -5.120 1.00 1.00 C ATOM 314 CG TRP A 21 11.569 1.705 -4.807 1.00 1.00 C ATOM 315 CD1 TRP A 21 10.538 1.573 -5.695 1.00 1.00 C ATOM 316 CD2 TRP A 21 11.046 1.344 -3.528 1.00 1.00 C ATOM 317 NE1 TRP A 21 9.405 1.156 -5.041 1.00 1.00 N ATOM 318 CE2 TRP A 21 9.692 1.007 -3.709 1.00 1.00 C ATOM 319 CE3 TRP A 21 11.594 1.272 -2.247 1.00 1.00 C ATOM 320 CZ2 TRP A 21 8.879 0.607 -2.653 1.00 1.00 C ATOM 321 CZ3 TRP A 21 10.787 0.876 -1.200 1.00 1.00 C ATOM 322 CH2 TRP A 21 9.442 0.548 -1.409 1.00 1.00 C ATOM 0 H TRP A 21 12.706 3.882 -3.203 1.00 1.00 H new ATOM 0 HA TRP A 21 14.016 3.867 -5.844 1.00 1.00 H new ATOM 0 HB2 TRP A 21 13.283 1.665 -6.053 1.00 1.00 H new ATOM 0 HB3 TRP A 21 13.635 1.767 -4.339 1.00 1.00 H new ATOM 0 HD1 TRP A 21 10.605 1.768 -6.755 1.00 1.00 H new ATOM 0 HE1 TRP A 21 8.498 0.985 -5.475 1.00 1.00 H new ATOM 0 HE3 TRP A 21 12.631 1.522 -2.078 1.00 1.00 H new ATOM 0 HZ2 TRP A 21 7.841 0.353 -2.811 1.00 1.00 H new ATOM 0 HZ3 TRP A 21 11.199 0.818 -0.204 1.00 1.00 H new ATOM 0 HH2 TRP A 21 8.836 0.242 -0.569 1.00 1.00 H new ATOM 333 N HIS A 22 11.899 4.140 -7.268 1.00 1.00 N ATOM 334 CA HIS A 22 10.790 4.676 -8.054 1.00 1.00 C ATOM 335 C HIS A 22 10.177 3.587 -8.928 1.00 1.00 C ATOM 336 O HIS A 22 10.879 2.926 -9.695 1.00 1.00 O ATOM 337 CB HIS A 22 11.255 5.844 -8.914 1.00 1.00 C ATOM 338 CG HIS A 22 11.603 7.056 -8.121 1.00 1.00 C ATOM 339 ND1 HIS A 22 10.939 8.257 -8.265 1.00 1.00 N ATOM 340 CD2 HIS A 22 12.534 7.256 -7.158 1.00 1.00 C ATOM 341 CE1 HIS A 22 11.448 9.141 -7.426 1.00 1.00 C ATOM 342 NE2 HIS A 22 12.416 8.559 -6.743 1.00 1.00 N ATOM 0 H HIS A 22 12.631 3.689 -7.818 1.00 1.00 H new ATOM 0 HA HIS A 22 10.028 5.037 -7.364 1.00 1.00 H new ATOM 0 HB2 HIS A 22 12.125 5.536 -9.494 1.00 1.00 H new ATOM 0 HB3 HIS A 22 10.470 6.097 -9.626 1.00 1.00 H new ATOM 0 HD2 HIS A 22 13.238 6.526 -6.786 1.00 1.00 H new ATOM 0 HE1 HIS A 22 11.127 10.166 -7.317 1.00 1.00 H new ATOM 0 HE2 HIS A 22 12.984 9.005 -6.023 1.00 1.00 H new ATOM 351 N LEU A 23 8.866 3.403 -8.809 1.00 1.00 N ATOM 352 CA LEU A 23 8.151 2.392 -9.587 1.00 1.00 C ATOM 353 C LEU A 23 6.855 2.970 -10.145 1.00 1.00 C ATOM 354 O LEU A 23 5.773 2.734 -9.618 1.00 1.00 O ATOM 355 CB LEU A 23 7.860 1.175 -8.705 1.00 1.00 C ATOM 356 CG LEU A 23 8.072 -0.179 -9.382 1.00 1.00 C ATOM 357 CD1 LEU A 23 7.682 -0.120 -10.850 1.00 1.00 C ATOM 358 CD2 LEU A 23 9.515 -0.635 -9.221 1.00 1.00 C ATOM 0 H LEU A 23 8.273 3.943 -8.179 1.00 1.00 H new ATOM 0 HA LEU A 23 8.774 2.081 -10.426 1.00 1.00 H new ATOM 0 HB2 LEU A 23 8.495 1.226 -7.821 1.00 1.00 H new ATOM 0 HB3 LEU A 23 6.828 1.234 -8.360 1.00 1.00 H new ATOM 0 HG LEU A 23 7.426 -0.909 -8.895 1.00 1.00 H new ATOM 0 HD11 LEU A 23 7.842 -1.096 -11.309 1.00 1.00 H new ATOM 0 HD12 LEU A 23 6.630 0.153 -10.936 1.00 1.00 H new ATOM 0 HD13 LEU A 23 8.293 0.625 -11.359 1.00 1.00 H new ATOM 0 HD21 LEU A 23 9.648 -1.601 -9.709 1.00 1.00 H new ATOM 0 HD22 LEU A 23 10.181 0.097 -9.678 1.00 1.00 H new ATOM 0 HD23 LEU A 23 9.751 -0.729 -8.161 1.00 1.00 H new ATOM 370 N PRO A 24 6.960 3.733 -11.234 1.00 1.00 N ATOM 371 CA PRO A 24 5.805 4.356 -11.884 1.00 1.00 C ATOM 372 C PRO A 24 4.678 3.370 -12.174 1.00 1.00 C ATOM 373 O PRO A 24 3.495 3.714 -12.123 1.00 1.00 O ATOM 374 CB PRO A 24 6.385 4.905 -13.191 1.00 1.00 C ATOM 375 CG PRO A 24 7.822 5.126 -12.892 1.00 1.00 C ATOM 376 CD PRO A 24 8.217 4.052 -11.924 1.00 1.00 C ATOM 0 HA PRO A 24 5.350 5.114 -11.247 1.00 1.00 H new ATOM 0 HB2 PRO A 24 6.254 4.200 -14.011 1.00 1.00 H new ATOM 0 HB3 PRO A 24 5.893 5.832 -13.486 1.00 1.00 H new ATOM 0 HG2 PRO A 24 8.422 5.071 -13.801 1.00 1.00 H new ATOM 0 HG3 PRO A 24 7.983 6.115 -12.463 1.00 1.00 H new ATOM 0 HD2 PRO A 24 8.626 3.181 -12.436 1.00 1.00 H new ATOM 0 HD3 PRO A 24 8.980 4.400 -11.228 1.00 1.00 H new ATOM 384 N ASP A 25 5.055 2.141 -12.497 1.00 1.00 N ATOM 385 CA ASP A 25 4.089 1.092 -12.808 1.00 1.00 C ATOM 386 C ASP A 25 3.188 0.819 -11.603 1.00 1.00 C ATOM 387 O ASP A 25 1.964 0.831 -11.711 1.00 1.00 O ATOM 388 CB ASP A 25 4.804 -0.188 -13.232 1.00 1.00 C ATOM 389 CG ASP A 25 4.024 -0.967 -14.265 1.00 1.00 C ATOM 390 OD1 ASP A 25 2.942 -0.497 -14.675 1.00 1.00 O ATOM 391 OD2 ASP A 25 4.490 -2.057 -14.659 1.00 1.00 O ATOM 0 H ASP A 25 6.029 1.843 -12.551 1.00 1.00 H new ATOM 0 HA ASP A 25 3.469 1.434 -13.637 1.00 1.00 H new ATOM 0 HB2 ASP A 25 5.785 0.063 -13.635 1.00 1.00 H new ATOM 0 HB3 ASP A 25 4.970 -0.816 -12.356 1.00 1.00 H new ATOM 396 N ASP A 26 3.814 0.571 -10.455 1.00 1.00 N ATOM 397 CA ASP A 26 3.071 0.301 -9.232 1.00 1.00 C ATOM 398 C ASP A 26 2.261 1.515 -8.804 1.00 1.00 C ATOM 399 O ASP A 26 1.167 1.379 -8.268 1.00 1.00 O ATOM 400 CB ASP A 26 4.016 -0.118 -8.111 1.00 1.00 C ATOM 401 CG ASP A 26 3.419 -1.212 -7.246 1.00 1.00 C ATOM 402 OD1 ASP A 26 2.202 -1.156 -6.973 1.00 1.00 O ATOM 403 OD2 ASP A 26 4.172 -2.121 -6.835 1.00 1.00 O ATOM 0 H ASP A 26 4.828 0.552 -10.348 1.00 1.00 H new ATOM 0 HA ASP A 26 2.381 -0.518 -9.436 1.00 1.00 H new ATOM 0 HB2 ASP A 26 4.956 -0.467 -8.540 1.00 1.00 H new ATOM 0 HB3 ASP A 26 4.250 0.748 -7.491 1.00 1.00 H new ATOM 408 N LEU A 27 2.799 2.701 -9.046 1.00 1.00 N ATOM 409 CA LEU A 27 2.120 3.947 -8.692 1.00 1.00 C ATOM 410 C LEU A 27 0.804 4.087 -9.462 1.00 1.00 C ATOM 411 O LEU A 27 -0.227 4.482 -8.893 1.00 1.00 O ATOM 412 CB LEU A 27 3.021 5.142 -8.987 1.00 1.00 C ATOM 413 CG LEU A 27 3.651 5.795 -7.752 1.00 1.00 C ATOM 414 CD1 LEU A 27 2.630 6.651 -7.019 1.00 1.00 C ATOM 415 CD2 LEU A 27 4.222 4.733 -6.822 1.00 1.00 C ATOM 0 H LEU A 27 3.709 2.831 -9.488 1.00 1.00 H new ATOM 0 HA LEU A 27 1.898 3.921 -7.625 1.00 1.00 H new ATOM 0 HB2 LEU A 27 3.819 4.821 -9.657 1.00 1.00 H new ATOM 0 HB3 LEU A 27 2.440 5.894 -9.521 1.00 1.00 H new ATOM 0 HG LEU A 27 4.465 6.440 -8.082 1.00 1.00 H new ATOM 0 HD11 LEU A 27 3.097 7.106 -6.145 1.00 1.00 H new ATOM 0 HD12 LEU A 27 2.266 7.434 -7.685 1.00 1.00 H new ATOM 0 HD13 LEU A 27 1.794 6.028 -6.701 1.00 1.00 H new ATOM 0 HD21 LEU A 27 4.666 5.213 -5.950 1.00 1.00 H new ATOM 0 HD22 LEU A 27 3.424 4.064 -6.501 1.00 1.00 H new ATOM 0 HD23 LEU A 27 4.986 4.161 -7.349 1.00 1.00 H new ATOM 427 N HIS A 28 0.828 3.743 -10.747 1.00 1.00 N ATOM 428 CA HIS A 28 -0.363 3.823 -11.581 1.00 1.00 C ATOM 429 C HIS A 28 -1.477 2.971 -10.983 1.00 1.00 C ATOM 430 O HIS A 28 -2.625 3.400 -10.895 1.00 1.00 O ATOM 431 CB HIS A 28 -0.036 3.330 -12.999 1.00 1.00 C ATOM 432 CG HIS A 28 -1.246 3.047 -13.841 1.00 1.00 C ATOM 433 ND1 HIS A 28 -1.373 1.908 -14.608 1.00 1.00 N ATOM 434 CD2 HIS A 28 -2.374 3.768 -14.051 1.00 1.00 C ATOM 435 CE1 HIS A 28 -2.526 1.940 -15.253 1.00 1.00 C ATOM 436 NE2 HIS A 28 -3.151 3.056 -14.932 1.00 1.00 N ATOM 0 H HIS A 28 1.660 3.406 -11.231 1.00 1.00 H new ATOM 0 HA HIS A 28 -0.696 4.860 -11.628 1.00 1.00 H new ATOM 0 HB2 HIS A 28 0.576 4.079 -13.501 1.00 1.00 H new ATOM 0 HB3 HIS A 28 0.565 2.423 -12.928 1.00 1.00 H new ATOM 0 HD2 HIS A 28 -2.617 4.723 -13.609 1.00 1.00 H new ATOM 0 HE1 HIS A 28 -2.894 1.181 -15.928 1.00 1.00 H new ATOM 0 HE2 HIS A 28 -4.065 3.344 -15.282 1.00 1.00 H new ATOM 445 N TYR A 29 -1.115 1.781 -10.544 1.00 1.00 N ATOM 446 CA TYR A 29 -2.068 0.868 -9.924 1.00 1.00 C ATOM 447 C TYR A 29 -2.675 1.494 -8.668 1.00 1.00 C ATOM 448 O TYR A 29 -3.888 1.431 -8.449 1.00 1.00 O ATOM 449 CB TYR A 29 -1.390 -0.447 -9.562 1.00 1.00 C ATOM 450 CG TYR A 29 -2.336 -1.487 -9.023 1.00 1.00 C ATOM 451 CD1 TYR A 29 -2.796 -1.435 -7.713 1.00 1.00 C ATOM 452 CD2 TYR A 29 -2.784 -2.523 -9.834 1.00 1.00 C ATOM 453 CE1 TYR A 29 -3.673 -2.387 -7.226 1.00 1.00 C ATOM 454 CE2 TYR A 29 -3.660 -3.478 -9.355 1.00 1.00 C ATOM 455 CZ TYR A 29 -4.101 -3.406 -8.050 1.00 1.00 C ATOM 456 OH TYR A 29 -4.975 -4.345 -7.571 1.00 1.00 O ATOM 0 H TYR A 29 -0.164 1.418 -10.604 1.00 1.00 H new ATOM 0 HA TYR A 29 -2.864 0.673 -10.643 1.00 1.00 H new ATOM 0 HB2 TYR A 29 -0.892 -0.845 -10.447 1.00 1.00 H new ATOM 0 HB3 TYR A 29 -0.615 -0.254 -8.820 1.00 1.00 H new ATOM 0 HD1 TYR A 29 -2.463 -0.638 -7.064 1.00 1.00 H new ATOM 0 HD2 TYR A 29 -2.441 -2.583 -10.856 1.00 1.00 H new ATOM 0 HE1 TYR A 29 -4.021 -2.332 -6.205 1.00 1.00 H new ATOM 0 HE2 TYR A 29 -3.998 -4.277 -9.999 1.00 1.00 H new ATOM 0 HH TYR A 29 -5.178 -4.993 -8.277 1.00 1.00 H new ATOM 466 N PHE A 30 -1.815 2.077 -7.843 1.00 1.00 N ATOM 467 CA PHE A 30 -2.246 2.704 -6.591 1.00 1.00 C ATOM 468 C PHE A 30 -3.216 3.844 -6.845 1.00 1.00 C ATOM 469 O PHE A 30 -4.258 3.946 -6.189 1.00 1.00 O ATOM 470 CB PHE A 30 -1.044 3.221 -5.794 1.00 1.00 C ATOM 471 CG PHE A 30 -1.439 3.982 -4.558 1.00 1.00 C ATOM 472 CD1 PHE A 30 -2.327 3.432 -3.649 1.00 1.00 C ATOM 473 CD2 PHE A 30 -0.920 5.242 -4.306 1.00 1.00 C ATOM 474 CE1 PHE A 30 -2.692 4.124 -2.511 1.00 1.00 C ATOM 475 CE2 PHE A 30 -1.283 5.939 -3.169 1.00 1.00 C ATOM 476 CZ PHE A 30 -2.170 5.380 -2.270 1.00 1.00 C ATOM 0 H PHE A 30 -0.811 2.131 -8.015 1.00 1.00 H new ATOM 0 HA PHE A 30 -2.757 1.937 -6.008 1.00 1.00 H new ATOM 0 HB2 PHE A 30 -0.415 2.378 -5.509 1.00 1.00 H new ATOM 0 HB3 PHE A 30 -0.442 3.866 -6.434 1.00 1.00 H new ATOM 0 HD1 PHE A 30 -2.739 2.451 -3.832 1.00 1.00 H new ATOM 0 HD2 PHE A 30 -0.225 5.684 -5.005 1.00 1.00 H new ATOM 0 HE1 PHE A 30 -3.385 3.683 -1.810 1.00 1.00 H new ATOM 0 HE2 PHE A 30 -0.873 6.921 -2.984 1.00 1.00 H new ATOM 0 HZ PHE A 30 -2.455 5.923 -1.381 1.00 1.00 H new ATOM 486 N ARG A 31 -2.886 4.710 -7.806 1.00 1.00 N ATOM 487 CA ARG A 31 -3.755 5.836 -8.126 1.00 1.00 C ATOM 488 C ARG A 31 -5.118 5.337 -8.600 1.00 1.00 C ATOM 489 O ARG A 31 -6.151 5.882 -8.214 1.00 1.00 O ATOM 490 CB ARG A 31 -3.130 6.720 -9.211 1.00 1.00 C ATOM 491 CG ARG A 31 -4.069 7.797 -9.721 1.00 1.00 C ATOM 492 CD ARG A 31 -3.384 8.695 -10.738 1.00 1.00 C ATOM 493 NE ARG A 31 -2.912 9.948 -10.143 1.00 1.00 N ATOM 494 CZ ARG A 31 -2.398 10.956 -10.845 1.00 1.00 C ATOM 495 NH1 ARG A 31 -2.273 10.865 -12.165 1.00 1.00 N ATOM 496 NH2 ARG A 31 -2.004 12.061 -10.227 1.00 1.00 N ATOM 0 H ARG A 31 -2.036 4.652 -8.367 1.00 1.00 H new ATOM 0 HA ARG A 31 -3.881 6.429 -7.220 1.00 1.00 H new ATOM 0 HB2 ARG A 31 -2.231 7.190 -8.814 1.00 1.00 H new ATOM 0 HB3 ARG A 31 -2.819 6.093 -10.047 1.00 1.00 H new ATOM 0 HG2 ARG A 31 -4.945 7.333 -10.175 1.00 1.00 H new ATOM 0 HG3 ARG A 31 -4.424 8.398 -8.884 1.00 1.00 H new ATOM 0 HD2 ARG A 31 -2.540 8.164 -11.179 1.00 1.00 H new ATOM 0 HD3 ARG A 31 -4.078 8.919 -11.548 1.00 1.00 H new ATOM 0 HE ARG A 31 -2.981 10.054 -9.131 1.00 1.00 H new ATOM 0 HH11 ARG A 31 -2.572 10.018 -12.648 1.00 1.00 H new ATOM 0 HH12 ARG A 31 -1.878 11.642 -12.695 1.00 1.00 H new ATOM 0 HH21 ARG A 31 -2.095 12.139 -9.214 1.00 1.00 H new ATOM 0 HH22 ARG A 31 -1.610 12.833 -10.765 1.00 1.00 H new ATOM 510 N ALA A 32 -5.114 4.306 -9.446 1.00 1.00 N ATOM 511 CA ALA A 32 -6.358 3.742 -9.962 1.00 1.00 C ATOM 512 C ALA A 32 -7.198 3.139 -8.837 1.00 1.00 C ATOM 513 O ALA A 32 -8.421 3.242 -8.823 1.00 1.00 O ATOM 514 CB ALA A 32 -6.054 2.713 -11.042 1.00 1.00 C ATOM 0 H ALA A 32 -4.268 3.848 -9.786 1.00 1.00 H new ATOM 0 HA ALA A 32 -6.946 4.544 -10.408 1.00 1.00 H new ATOM 0 HB1 ALA A 32 -6.987 2.297 -11.421 1.00 1.00 H new ATOM 0 HB2 ALA A 32 -5.512 3.191 -11.858 1.00 1.00 H new ATOM 0 HB3 ALA A 32 -5.445 1.913 -10.621 1.00 1.00 H new ATOM 520 N GLN A 33 -6.508 2.502 -7.896 1.00 1.00 N ATOM 521 CA GLN A 33 -7.161 1.873 -6.744 1.00 1.00 C ATOM 522 C GLN A 33 -7.840 2.900 -5.846 1.00 1.00 C ATOM 523 O GLN A 33 -8.930 2.676 -5.333 1.00 1.00 O ATOM 524 CB GLN A 33 -6.142 1.080 -5.924 1.00 1.00 C ATOM 525 CG GLN A 33 -6.149 -0.417 -6.202 1.00 1.00 C ATOM 526 CD GLN A 33 -7.461 -1.073 -5.808 1.00 1.00 C ATOM 527 OE1 GLN A 33 -8.483 -0.897 -6.471 1.00 1.00 O ATOM 528 NE2 GLN A 33 -7.435 -1.835 -4.720 1.00 1.00 N ATOM 0 H GLN A 33 -5.493 2.405 -7.906 1.00 1.00 H new ATOM 0 HA GLN A 33 -7.926 1.202 -7.134 1.00 1.00 H new ATOM 0 HB2 GLN A 33 -5.145 1.471 -6.127 1.00 1.00 H new ATOM 0 HB3 GLN A 33 -6.339 1.243 -4.864 1.00 1.00 H new ATOM 0 HG2 GLN A 33 -5.965 -0.588 -7.263 1.00 1.00 H new ATOM 0 HG3 GLN A 33 -5.332 -0.889 -5.657 1.00 1.00 H new ATOM 0 HE21 GLN A 33 -6.565 -1.953 -4.201 1.00 1.00 H new ATOM 0 HE22 GLN A 33 -8.285 -2.302 -4.404 1.00 1.00 H new ATOM 537 N THR A 34 -7.189 4.035 -5.669 1.00 1.00 N ATOM 538 CA THR A 34 -7.709 5.096 -4.806 1.00 1.00 C ATOM 539 C THR A 34 -8.830 5.898 -5.463 1.00 1.00 C ATOM 540 O THR A 34 -9.357 6.843 -4.857 1.00 1.00 O ATOM 541 CB THR A 34 -6.565 6.031 -4.397 1.00 1.00 C ATOM 542 OG1 THR A 34 -6.024 6.687 -5.532 1.00 1.00 O ATOM 543 CG2 THR A 34 -5.437 5.317 -3.704 1.00 1.00 C ATOM 0 H THR A 34 -6.295 4.252 -6.110 1.00 1.00 H new ATOM 0 HA THR A 34 -8.138 4.617 -3.926 1.00 1.00 H new ATOM 0 HB THR A 34 -7.007 6.745 -3.701 1.00 1.00 H new ATOM 0 HG1 THR A 34 -6.281 6.202 -6.344 1.00 1.00 H new ATOM 0 HG21 THR A 34 -4.660 6.034 -3.441 1.00 1.00 H new ATOM 0 HG22 THR A 34 -5.811 4.838 -2.799 1.00 1.00 H new ATOM 0 HG23 THR A 34 -5.022 4.560 -4.370 1.00 1.00 H new ATOM 551 N VAL A 35 -9.223 5.536 -6.682 1.00 1.00 N ATOM 552 CA VAL A 35 -10.294 6.256 -7.353 1.00 1.00 C ATOM 553 C VAL A 35 -11.641 5.625 -7.014 1.00 1.00 C ATOM 554 O VAL A 35 -11.847 4.422 -7.185 1.00 1.00 O ATOM 555 CB VAL A 35 -10.104 6.301 -8.883 1.00 1.00 C ATOM 556 CG1 VAL A 35 -8.641 6.461 -9.235 1.00 1.00 C ATOM 557 CG2 VAL A 35 -10.679 5.059 -9.553 1.00 1.00 C ATOM 0 H VAL A 35 -8.823 4.763 -7.214 1.00 1.00 H new ATOM 0 HA VAL A 35 -10.267 7.284 -6.992 1.00 1.00 H new ATOM 0 HB VAL A 35 -10.650 7.167 -9.258 1.00 1.00 H new ATOM 0 HG11 VAL A 35 -8.529 6.491 -10.319 1.00 1.00 H new ATOM 0 HG12 VAL A 35 -8.263 7.389 -8.806 1.00 1.00 H new ATOM 0 HG13 VAL A 35 -8.076 5.619 -8.835 1.00 1.00 H new ATOM 0 HG21 VAL A 35 -10.528 5.124 -10.631 1.00 1.00 H new ATOM 0 HG22 VAL A 35 -10.175 4.172 -9.169 1.00 1.00 H new ATOM 0 HG23 VAL A 35 -11.746 4.991 -9.340 1.00 1.00 H new ATOM 567 N GLY A 36 -12.552 6.440 -6.501 1.00 1.00 N ATOM 568 CA GLY A 36 -13.852 5.926 -6.113 1.00 1.00 C ATOM 569 C GLY A 36 -13.783 5.176 -4.800 1.00 1.00 C ATOM 570 O GLY A 36 -14.660 4.365 -4.493 1.00 1.00 O ATOM 0 H GLY A 36 -12.417 7.439 -6.347 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -14.559 6.751 -6.025 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -14.230 5.264 -6.892 1.00 1.00 H new ATOM 574 N LYS A 37 -12.722 5.419 -4.024 1.00 1.00 N ATOM 575 CA LYS A 37 -12.543 4.732 -2.750 1.00 1.00 C ATOM 576 C LYS A 37 -11.977 5.687 -1.689 1.00 1.00 C ATOM 577 O LYS A 37 -11.365 6.701 -2.010 1.00 1.00 O ATOM 578 CB LYS A 37 -11.611 3.527 -2.929 1.00 1.00 C ATOM 579 CG LYS A 37 -11.971 2.637 -4.110 1.00 1.00 C ATOM 580 CD LYS A 37 -11.836 1.163 -3.760 1.00 1.00 C ATOM 581 CE LYS A 37 -12.925 0.323 -4.418 1.00 1.00 C ATOM 582 NZ LYS A 37 -12.647 0.061 -5.853 1.00 1.00 N ATOM 0 H LYS A 37 -11.982 6.081 -4.257 1.00 1.00 H new ATOM 0 HA LYS A 37 -13.517 4.381 -2.408 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -10.590 3.886 -3.056 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -11.628 2.929 -2.018 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -12.994 2.845 -4.425 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -11.323 2.872 -4.955 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -10.857 0.802 -4.077 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -11.886 1.040 -2.678 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -13.018 -0.626 -3.889 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -13.882 0.835 -4.324 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -13.415 -0.513 -6.256 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -12.584 0.964 -6.365 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -11.747 -0.452 -5.944 1.00 1.00 H new ATOM 596 N ILE A 38 -12.186 5.339 -0.423 1.00 1.00 N ATOM 597 CA ILE A 38 -11.695 6.152 0.690 1.00 1.00 C ATOM 598 C ILE A 38 -10.465 5.490 1.316 1.00 1.00 C ATOM 599 O ILE A 38 -10.487 4.301 1.660 1.00 1.00 O ATOM 600 CB ILE A 38 -12.785 6.329 1.769 1.00 1.00 C ATOM 601 CG1 ILE A 38 -13.733 7.474 1.388 1.00 1.00 C ATOM 602 CG2 ILE A 38 -12.163 6.581 3.134 1.00 1.00 C ATOM 603 CD1 ILE A 38 -15.144 7.006 1.101 1.00 1.00 C ATOM 0 H ILE A 38 -12.692 4.500 -0.140 1.00 1.00 H new ATOM 0 HA ILE A 38 -11.427 7.134 0.300 1.00 1.00 H new ATOM 0 HB ILE A 38 -13.361 5.405 1.827 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -13.756 8.203 2.198 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -13.340 7.986 0.509 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -12.952 6.702 3.876 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -11.533 5.735 3.409 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -11.558 7.487 3.096 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -15.765 7.862 0.838 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -15.131 6.299 0.272 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -15.553 6.520 1.987 1.00 1.00 H new ATOM 615 N MET A 39 -9.376 6.254 1.433 1.00 1.00 N ATOM 616 CA MET A 39 -8.140 5.727 1.977 1.00 1.00 C ATOM 617 C MET A 39 -7.585 6.615 3.088 1.00 1.00 C ATOM 618 O MET A 39 -7.767 7.834 3.081 1.00 1.00 O ATOM 619 CB MET A 39 -7.095 5.558 0.866 1.00 1.00 C ATOM 620 CG MET A 39 -7.552 6.063 -0.502 1.00 1.00 C ATOM 621 SD MET A 39 -7.480 7.863 -0.640 1.00 1.00 S ATOM 622 CE MET A 39 -8.577 8.140 -2.032 1.00 1.00 C ATOM 0 H MET A 39 -9.333 7.235 1.157 1.00 1.00 H new ATOM 0 HA MET A 39 -8.364 4.752 2.411 1.00 1.00 H new ATOM 0 HB2 MET A 39 -6.187 6.088 1.152 1.00 1.00 H new ATOM 0 HB3 MET A 39 -6.835 4.503 0.784 1.00 1.00 H new ATOM 0 HG2 MET A 39 -6.927 5.618 -1.276 1.00 1.00 H new ATOM 0 HG3 MET A 39 -8.573 5.729 -0.685 1.00 1.00 H new ATOM 0 HE1 MET A 39 -8.048 8.695 -2.807 1.00 1.00 H new ATOM 0 HE2 MET A 39 -8.906 7.181 -2.432 1.00 1.00 H new ATOM 0 HE3 MET A 39 -9.444 8.713 -1.703 1.00 1.00 H new ATOM 632 N VAL A 40 -6.898 5.988 4.040 1.00 1.00 N ATOM 633 CA VAL A 40 -6.303 6.702 5.163 1.00 1.00 C ATOM 634 C VAL A 40 -4.789 6.523 5.163 1.00 1.00 C ATOM 635 O VAL A 40 -4.282 5.406 5.050 1.00 1.00 O ATOM 636 CB VAL A 40 -6.856 6.208 6.510 1.00 1.00 C ATOM 637 CG1 VAL A 40 -7.490 7.363 7.282 1.00 1.00 C ATOM 638 CG2 VAL A 40 -7.859 5.077 6.305 1.00 1.00 C ATOM 0 H VAL A 40 -6.740 4.980 4.054 1.00 1.00 H new ATOM 0 HA VAL A 40 -6.558 7.755 5.043 1.00 1.00 H new ATOM 0 HB VAL A 40 -6.026 5.816 7.098 1.00 1.00 H new ATOM 0 HG11 VAL A 40 -7.876 6.996 8.233 1.00 1.00 H new ATOM 0 HG12 VAL A 40 -6.740 8.132 7.467 1.00 1.00 H new ATOM 0 HG13 VAL A 40 -8.307 7.786 6.697 1.00 1.00 H new ATOM 0 HG21 VAL A 40 -8.236 4.745 7.272 1.00 1.00 H new ATOM 0 HG22 VAL A 40 -8.689 5.433 5.695 1.00 1.00 H new ATOM 0 HG23 VAL A 40 -7.370 4.244 5.801 1.00 1.00 H new ATOM 648 N VAL A 41 -4.065 7.635 5.264 1.00 1.00 N ATOM 649 CA VAL A 41 -2.606 7.599 5.249 1.00 1.00 C ATOM 650 C VAL A 41 -2.006 8.198 6.526 1.00 1.00 C ATOM 651 O VAL A 41 -2.385 9.295 6.947 1.00 1.00 O ATOM 652 CB VAL A 41 -2.031 8.374 4.040 1.00 1.00 C ATOM 653 CG1 VAL A 41 -0.751 7.739 3.553 1.00 1.00 C ATOM 654 CG2 VAL A 41 -3.050 8.463 2.914 1.00 1.00 C ATOM 0 H VAL A 41 -4.464 8.569 5.357 1.00 1.00 H new ATOM 0 HA VAL A 41 -2.334 6.546 5.178 1.00 1.00 H new ATOM 0 HB VAL A 41 -1.804 9.388 4.370 1.00 1.00 H new ATOM 0 HG11 VAL A 41 -0.366 8.302 2.703 1.00 1.00 H new ATOM 0 HG12 VAL A 41 -0.014 7.745 4.356 1.00 1.00 H new ATOM 0 HG13 VAL A 41 -0.948 6.711 3.249 1.00 1.00 H new ATOM 0 HG21 VAL A 41 -2.620 9.013 2.077 1.00 1.00 H new ATOM 0 HG22 VAL A 41 -3.321 7.459 2.588 1.00 1.00 H new ATOM 0 HG23 VAL A 41 -3.941 8.981 3.269 1.00 1.00 H new ATOM 664 N GLY A 42 -1.072 7.477 7.125 1.00 1.00 N ATOM 665 CA GLY A 42 -0.426 7.950 8.332 1.00 1.00 C ATOM 666 C GLY A 42 0.429 9.178 8.062 1.00 1.00 C ATOM 667 O GLY A 42 0.878 9.398 6.937 1.00 1.00 O ATOM 0 H GLY A 42 -0.748 6.568 6.795 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -1.181 8.189 9.081 1.00 1.00 H new ATOM 0 HA3 GLY A 42 0.195 7.157 8.748 1.00 1.00 H new ATOM 671 N ARG A 43 0.623 10.008 9.081 1.00 1.00 N ATOM 672 CA ARG A 43 1.396 11.233 8.914 1.00 1.00 C ATOM 673 C ARG A 43 2.841 10.950 8.492 1.00 1.00 C ATOM 674 O ARG A 43 3.372 11.586 7.603 1.00 1.00 O ATOM 675 CB ARG A 43 1.395 12.043 10.215 1.00 1.00 C ATOM 676 CG ARG A 43 1.707 13.517 10.018 1.00 1.00 C ATOM 677 CD ARG A 43 1.731 14.273 11.333 1.00 1.00 C ATOM 678 NE ARG A 43 3.089 14.453 11.834 1.00 1.00 N ATOM 679 CZ ARG A 43 3.397 15.147 12.929 1.00 1.00 C ATOM 680 NH1 ARG A 43 2.442 15.728 13.646 1.00 1.00 N ATOM 681 NH2 ARG A 43 4.661 15.266 13.311 1.00 1.00 N ATOM 0 H ARG A 43 0.260 9.857 10.022 1.00 1.00 H new ATOM 0 HA ARG A 43 0.919 11.807 8.119 1.00 1.00 H new ATOM 0 HB2 ARG A 43 0.419 11.948 10.691 1.00 1.00 H new ATOM 0 HB3 ARG A 43 2.127 11.614 10.900 1.00 1.00 H new ATOM 0 HG2 ARG A 43 2.672 13.620 9.523 1.00 1.00 H new ATOM 0 HG3 ARG A 43 0.961 13.961 9.358 1.00 1.00 H new ATOM 0 HD2 ARG A 43 1.261 15.248 11.200 1.00 1.00 H new ATOM 0 HD3 ARG A 43 1.140 13.733 12.073 1.00 1.00 H new ATOM 0 HE ARG A 43 3.851 14.020 11.313 1.00 1.00 H new ATOM 0 HH11 ARG A 43 1.467 15.644 13.359 1.00 1.00 H new ATOM 0 HH12 ARG A 43 2.684 16.258 14.483 1.00 1.00 H new ATOM 0 HH21 ARG A 43 5.402 14.825 12.766 1.00 1.00 H new ATOM 0 HH22 ARG A 43 4.892 15.798 14.150 1.00 1.00 H new ATOM 695 N ARG A 44 3.459 9.978 9.105 1.00 1.00 N ATOM 696 CA ARG A 44 4.833 9.657 8.773 1.00 1.00 C ATOM 697 C ARG A 44 4.941 9.265 7.307 1.00 1.00 C ATOM 698 O ARG A 44 5.890 9.633 6.606 1.00 1.00 O ATOM 699 CB ARG A 44 5.330 8.517 9.659 1.00 1.00 C ATOM 700 CG ARG A 44 5.649 8.952 11.088 1.00 1.00 C ATOM 701 CD ARG A 44 7.135 8.863 11.381 1.00 1.00 C ATOM 702 NE ARG A 44 7.542 9.763 12.456 1.00 1.00 N ATOM 703 CZ ARG A 44 7.808 11.056 12.282 1.00 1.00 C ATOM 704 NH1 ARG A 44 7.662 11.615 11.088 1.00 1.00 N ATOM 705 NH2 ARG A 44 8.221 11.791 13.306 1.00 1.00 N ATOM 0 H ARG A 44 3.044 9.395 9.832 1.00 1.00 H new ATOM 0 HA ARG A 44 5.453 10.537 8.946 1.00 1.00 H new ATOM 0 HB2 ARG A 44 4.574 7.732 9.687 1.00 1.00 H new ATOM 0 HB3 ARG A 44 6.224 8.083 9.212 1.00 1.00 H new ATOM 0 HG2 ARG A 44 5.308 9.976 11.242 1.00 1.00 H new ATOM 0 HG3 ARG A 44 5.101 8.324 11.791 1.00 1.00 H new ATOM 0 HD2 ARG A 44 7.389 7.838 11.652 1.00 1.00 H new ATOM 0 HD3 ARG A 44 7.696 9.102 10.478 1.00 1.00 H new ATOM 0 HE ARG A 44 7.628 9.378 13.397 1.00 1.00 H new ATOM 0 HH11 ARG A 44 7.345 11.054 10.298 1.00 1.00 H new ATOM 0 HH12 ARG A 44 7.867 12.606 10.960 1.00 1.00 H new ATOM 0 HH21 ARG A 44 8.335 11.366 14.226 1.00 1.00 H new ATOM 0 HH22 ARG A 44 8.425 12.782 13.173 1.00 1.00 H new ATOM 719 N THR A 45 3.949 8.541 6.837 1.00 1.00 N ATOM 720 CA THR A 45 3.901 8.118 5.444 1.00 1.00 C ATOM 721 C THR A 45 3.764 9.326 4.517 1.00 1.00 C ATOM 722 O THR A 45 4.440 9.410 3.492 1.00 1.00 O ATOM 723 CB THR A 45 2.764 7.124 5.197 1.00 1.00 C ATOM 724 OG1 THR A 45 2.997 5.906 5.878 1.00 1.00 O ATOM 725 CG2 THR A 45 2.599 6.799 3.732 1.00 1.00 C ATOM 0 H THR A 45 3.157 8.228 7.399 1.00 1.00 H new ATOM 0 HA THR A 45 4.840 7.612 5.222 1.00 1.00 H new ATOM 0 HB THR A 45 1.860 7.607 5.568 1.00 1.00 H new ATOM 0 HG1 THR A 45 3.120 6.084 6.834 1.00 1.00 H new ATOM 0 HG21 THR A 45 1.781 6.090 3.607 1.00 1.00 H new ATOM 0 HG22 THR A 45 2.376 7.712 3.180 1.00 1.00 H new ATOM 0 HG23 THR A 45 3.521 6.360 3.351 1.00 1.00 H new ATOM 733 N TYR A 46 2.877 10.249 4.891 1.00 1.00 N ATOM 734 CA TYR A 46 2.639 11.453 4.099 1.00 1.00 C ATOM 735 C TYR A 46 3.959 12.102 3.662 1.00 1.00 C ATOM 736 O TYR A 46 4.117 12.508 2.515 1.00 1.00 O ATOM 737 CB TYR A 46 1.813 12.435 4.907 1.00 1.00 C ATOM 738 CG TYR A 46 1.655 13.780 4.261 1.00 1.00 C ATOM 739 CD1 TYR A 46 1.724 13.916 2.881 1.00 1.00 C ATOM 740 CD2 TYR A 46 1.443 14.921 5.024 1.00 1.00 C ATOM 741 CE1 TYR A 46 1.588 15.151 2.278 1.00 1.00 C ATOM 742 CE2 TYR A 46 1.308 16.160 4.430 1.00 1.00 C ATOM 743 CZ TYR A 46 1.381 16.270 3.057 1.00 1.00 C ATOM 744 OH TYR A 46 1.255 17.505 2.461 1.00 1.00 O ATOM 0 H TYR A 46 2.312 10.184 5.738 1.00 1.00 H new ATOM 0 HA TYR A 46 2.094 11.172 3.198 1.00 1.00 H new ATOM 0 HB2 TYR A 46 0.825 12.008 5.078 1.00 1.00 H new ATOM 0 HB3 TYR A 46 2.277 12.566 5.885 1.00 1.00 H new ATOM 0 HD1 TYR A 46 1.887 13.041 2.269 1.00 1.00 H new ATOM 0 HD2 TYR A 46 1.383 14.838 6.099 1.00 1.00 H new ATOM 0 HE1 TYR A 46 1.643 15.240 1.203 1.00 1.00 H new ATOM 0 HE2 TYR A 46 1.146 17.038 5.037 1.00 1.00 H new ATOM 0 HH TYR A 46 1.113 18.188 3.150 1.00 1.00 H new ATOM 754 N GLU A 47 4.892 12.206 4.601 1.00 1.00 N ATOM 755 CA GLU A 47 6.192 12.808 4.328 1.00 1.00 C ATOM 756 C GLU A 47 6.890 12.132 3.150 1.00 1.00 C ATOM 757 O GLU A 47 7.765 12.713 2.522 1.00 1.00 O ATOM 758 CB GLU A 47 7.084 12.735 5.574 1.00 1.00 C ATOM 759 CG GLU A 47 7.505 14.103 6.097 1.00 1.00 C ATOM 760 CD GLU A 47 8.557 14.011 7.183 1.00 1.00 C ATOM 761 OE1 GLU A 47 8.950 12.876 7.525 1.00 1.00 O ATOM 762 OE2 GLU A 47 8.982 15.067 7.698 1.00 1.00 O ATOM 0 H GLU A 47 4.772 11.881 5.560 1.00 1.00 H new ATOM 0 HA GLU A 47 6.022 13.852 4.064 1.00 1.00 H new ATOM 0 HB2 GLU A 47 6.553 12.201 6.362 1.00 1.00 H new ATOM 0 HB3 GLU A 47 7.976 12.153 5.340 1.00 1.00 H new ATOM 0 HG2 GLU A 47 7.891 14.701 5.271 1.00 1.00 H new ATOM 0 HG3 GLU A 47 6.630 14.624 6.486 1.00 1.00 H new ATOM 769 N SER A 48 6.505 10.888 2.860 1.00 1.00 N ATOM 770 CA SER A 48 7.112 10.136 1.766 1.00 1.00 C ATOM 771 C SER A 48 6.360 10.334 0.453 1.00 1.00 C ATOM 772 O SER A 48 6.958 10.237 -0.616 1.00 1.00 O ATOM 773 CB SER A 48 7.192 8.650 2.116 1.00 1.00 C ATOM 774 OG SER A 48 7.214 7.849 0.953 1.00 1.00 O ATOM 0 H SER A 48 5.778 10.383 3.367 1.00 1.00 H new ATOM 0 HA SER A 48 8.122 10.522 1.627 1.00 1.00 H new ATOM 0 HB2 SER A 48 8.088 8.461 2.707 1.00 1.00 H new ATOM 0 HB3 SER A 48 6.338 8.373 2.734 1.00 1.00 H new ATOM 0 HG SER A 48 7.106 6.907 1.202 1.00 1.00 H new ATOM 780 N PHE A 49 5.050 10.588 0.534 1.00 1.00 N ATOM 781 CA PHE A 49 4.216 10.790 -0.655 1.00 1.00 C ATOM 782 C PHE A 49 4.928 11.659 -1.696 1.00 1.00 C ATOM 783 O PHE A 49 4.939 12.891 -1.594 1.00 1.00 O ATOM 784 CB PHE A 49 2.896 11.446 -0.266 1.00 1.00 C ATOM 785 CG PHE A 49 1.807 10.457 0.085 1.00 1.00 C ATOM 786 CD1 PHE A 49 2.112 9.156 0.458 1.00 1.00 C ATOM 787 CD2 PHE A 49 0.475 10.833 0.025 1.00 1.00 C ATOM 788 CE1 PHE A 49 1.109 8.253 0.761 1.00 1.00 C ATOM 789 CE2 PHE A 49 -0.530 9.936 0.329 1.00 1.00 C ATOM 790 CZ PHE A 49 -0.213 8.644 0.697 1.00 1.00 C ATOM 0 H PHE A 49 4.542 10.659 1.416 1.00 1.00 H new ATOM 0 HA PHE A 49 4.025 9.811 -1.095 1.00 1.00 H new ATOM 0 HB2 PHE A 49 3.065 12.105 0.586 1.00 1.00 H new ATOM 0 HB3 PHE A 49 2.554 12.072 -1.090 1.00 1.00 H new ATOM 0 HD1 PHE A 49 3.145 8.845 0.512 1.00 1.00 H new ATOM 0 HD2 PHE A 49 0.219 11.842 -0.264 1.00 1.00 H new ATOM 0 HE1 PHE A 49 1.360 7.242 1.048 1.00 1.00 H new ATOM 0 HE2 PHE A 49 -1.564 10.245 0.279 1.00 1.00 H new ATOM 0 HZ PHE A 49 -0.998 7.941 0.934 1.00 1.00 H new ATOM 800 N PRO A 50 5.537 11.035 -2.722 1.00 1.00 N ATOM 801 CA PRO A 50 6.246 11.746 -3.774 1.00 1.00 C ATOM 802 C PRO A 50 5.293 12.403 -4.768 1.00 1.00 C ATOM 803 O PRO A 50 5.659 13.361 -5.443 1.00 1.00 O ATOM 804 CB PRO A 50 7.073 10.643 -4.465 1.00 1.00 C ATOM 805 CG PRO A 50 6.881 9.410 -3.644 1.00 1.00 C ATOM 806 CD PRO A 50 5.581 9.579 -2.935 1.00 1.00 C ATOM 0 HA PRO A 50 6.852 12.561 -3.378 1.00 1.00 H new ATOM 0 HB2 PRO A 50 6.736 10.486 -5.490 1.00 1.00 H new ATOM 0 HB3 PRO A 50 8.126 10.918 -4.515 1.00 1.00 H new ATOM 0 HG2 PRO A 50 6.867 8.521 -4.275 1.00 1.00 H new ATOM 0 HG3 PRO A 50 7.698 9.285 -2.934 1.00 1.00 H new ATOM 0 HD2 PRO A 50 4.741 9.229 -3.534 1.00 1.00 H new ATOM 0 HD3 PRO A 50 5.554 9.028 -1.995 1.00 1.00 H new ATOM 814 N LYS A 51 4.078 11.880 -4.842 1.00 1.00 N ATOM 815 CA LYS A 51 3.073 12.419 -5.751 1.00 1.00 C ATOM 816 C LYS A 51 1.783 12.721 -4.986 1.00 1.00 C ATOM 817 O LYS A 51 0.934 11.849 -4.818 1.00 1.00 O ATOM 818 CB LYS A 51 2.788 11.443 -6.889 1.00 1.00 C ATOM 819 CG LYS A 51 3.728 11.586 -8.060 1.00 1.00 C ATOM 820 CD LYS A 51 4.380 10.260 -8.423 1.00 1.00 C ATOM 821 CE LYS A 51 5.388 10.422 -9.545 1.00 1.00 C ATOM 822 NZ LYS A 51 4.820 10.003 -10.862 1.00 1.00 N ATOM 0 H LYS A 51 3.763 11.085 -4.286 1.00 1.00 H new ATOM 0 HA LYS A 51 3.461 13.343 -6.181 1.00 1.00 H new ATOM 0 HB2 LYS A 51 2.851 10.424 -6.506 1.00 1.00 H new ATOM 0 HB3 LYS A 51 1.765 11.591 -7.235 1.00 1.00 H new ATOM 0 HG2 LYS A 51 3.181 11.970 -8.921 1.00 1.00 H new ATOM 0 HG3 LYS A 51 4.500 12.317 -7.820 1.00 1.00 H new ATOM 0 HD2 LYS A 51 4.875 9.845 -7.545 1.00 1.00 H new ATOM 0 HD3 LYS A 51 3.612 9.547 -8.723 1.00 1.00 H new ATOM 0 HE2 LYS A 51 5.707 11.463 -9.601 1.00 1.00 H new ATOM 0 HE3 LYS A 51 6.275 9.828 -9.326 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 5.537 10.128 -11.605 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 4.539 9.003 -10.816 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 3.988 10.587 -11.083 1.00 1.00 H new ATOM 836 N ARG A 52 1.663 13.951 -4.503 1.00 1.00 N ATOM 837 CA ARG A 52 0.488 14.339 -3.736 1.00 1.00 C ATOM 838 C ARG A 52 0.360 15.860 -3.676 1.00 1.00 C ATOM 839 O ARG A 52 1.314 16.586 -3.971 1.00 1.00 O ATOM 840 CB ARG A 52 0.581 13.735 -2.327 1.00 1.00 C ATOM 841 CG ARG A 52 0.745 14.747 -1.211 1.00 1.00 C ATOM 842 CD ARG A 52 2.098 15.433 -1.275 1.00 1.00 C ATOM 843 NE ARG A 52 2.005 16.856 -0.935 1.00 1.00 N ATOM 844 CZ ARG A 52 3.053 17.639 -0.700 1.00 1.00 C ATOM 845 NH1 ARG A 52 4.284 17.145 -0.748 1.00 1.00 N ATOM 846 NH2 ARG A 52 2.870 18.923 -0.419 1.00 1.00 N ATOM 0 H ARG A 52 2.356 14.689 -4.627 1.00 1.00 H new ATOM 0 HA ARG A 52 -0.407 13.956 -4.227 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -0.319 13.149 -2.138 1.00 1.00 H new ATOM 0 HB3 ARG A 52 1.423 13.044 -2.298 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -0.046 15.494 -1.277 1.00 1.00 H new ATOM 0 HG3 ARG A 52 0.634 14.249 -0.248 1.00 1.00 H new ATOM 0 HD2 ARG A 52 2.788 14.940 -0.590 1.00 1.00 H new ATOM 0 HD3 ARG A 52 2.513 15.325 -2.277 1.00 1.00 H new ATOM 0 HE ARG A 52 1.076 17.272 -0.875 1.00 1.00 H new ATOM 0 HH11 ARG A 52 4.430 16.159 -0.966 1.00 1.00 H new ATOM 0 HH12 ARG A 52 5.084 17.751 -0.567 1.00 1.00 H new ATOM 0 HH21 ARG A 52 1.926 19.308 -0.384 1.00 1.00 H new ATOM 0 HH22 ARG A 52 3.673 19.525 -0.238 1.00 1.00 H new ATOM 860 N PRO A 53 -0.832 16.366 -3.294 1.00 1.00 N ATOM 861 CA PRO A 53 -1.981 15.534 -2.936 1.00 1.00 C ATOM 862 C PRO A 53 -2.675 14.939 -4.156 1.00 1.00 C ATOM 863 O PRO A 53 -2.127 14.933 -5.253 1.00 1.00 O ATOM 864 CB PRO A 53 -2.925 16.506 -2.206 1.00 1.00 C ATOM 865 CG PRO A 53 -2.179 17.798 -2.081 1.00 1.00 C ATOM 866 CD PRO A 53 -1.153 17.789 -3.179 1.00 1.00 C ATOM 0 HA PRO A 53 -1.681 14.677 -2.332 1.00 1.00 H new ATOM 0 HB2 PRO A 53 -3.851 16.643 -2.765 1.00 1.00 H new ATOM 0 HB3 PRO A 53 -3.200 16.119 -1.225 1.00 1.00 H new ATOM 0 HG2 PRO A 53 -2.852 18.649 -2.183 1.00 1.00 H new ATOM 0 HG3 PRO A 53 -1.704 17.882 -1.103 1.00 1.00 H new ATOM 0 HD2 PRO A 53 -1.550 18.193 -4.110 1.00 1.00 H new ATOM 0 HD3 PRO A 53 -0.277 18.384 -2.922 1.00 1.00 H new ATOM 874 N LEU A 54 -3.887 14.437 -3.952 1.00 1.00 N ATOM 875 CA LEU A 54 -4.648 13.843 -5.040 1.00 1.00 C ATOM 876 C LEU A 54 -6.037 14.455 -5.110 1.00 1.00 C ATOM 877 O LEU A 54 -6.998 13.902 -4.585 1.00 1.00 O ATOM 878 CB LEU A 54 -4.744 12.325 -4.853 1.00 1.00 C ATOM 879 CG LEU A 54 -3.429 11.568 -5.010 1.00 1.00 C ATOM 880 CD1 LEU A 54 -3.092 10.821 -3.733 1.00 1.00 C ATOM 881 CD2 LEU A 54 -3.519 10.607 -6.197 1.00 1.00 C ATOM 0 H LEU A 54 -4.360 14.430 -3.048 1.00 1.00 H new ATOM 0 HA LEU A 54 -4.132 14.047 -5.978 1.00 1.00 H new ATOM 0 HB2 LEU A 54 -5.146 12.122 -3.860 1.00 1.00 H new ATOM 0 HB3 LEU A 54 -5.460 11.931 -5.574 1.00 1.00 H new ATOM 0 HG LEU A 54 -2.629 12.283 -5.203 1.00 1.00 H new ATOM 0 HD11 LEU A 54 -2.151 10.286 -3.862 1.00 1.00 H new ATOM 0 HD12 LEU A 54 -2.997 11.530 -2.911 1.00 1.00 H new ATOM 0 HD13 LEU A 54 -3.886 10.109 -3.508 1.00 1.00 H new ATOM 0 HD21 LEU A 54 -2.576 10.070 -6.303 1.00 1.00 H new ATOM 0 HD22 LEU A 54 -4.326 9.894 -6.027 1.00 1.00 H new ATOM 0 HD23 LEU A 54 -3.719 11.171 -7.108 1.00 1.00 H new ATOM 893 N PRO A 55 -6.162 15.618 -5.769 1.00 1.00 N ATOM 894 CA PRO A 55 -7.438 16.305 -5.919 1.00 1.00 C ATOM 895 C PRO A 55 -8.513 15.385 -6.477 1.00 1.00 C ATOM 896 O PRO A 55 -8.211 14.340 -7.059 1.00 1.00 O ATOM 897 CB PRO A 55 -7.124 17.427 -6.919 1.00 1.00 C ATOM 898 CG PRO A 55 -5.667 17.674 -6.763 1.00 1.00 C ATOM 899 CD PRO A 55 -5.055 16.343 -6.419 1.00 1.00 C ATOM 0 HA PRO A 55 -7.827 16.665 -4.966 1.00 1.00 H new ATOM 0 HB2 PRO A 55 -7.368 17.129 -7.939 1.00 1.00 H new ATOM 0 HB3 PRO A 55 -7.703 18.324 -6.702 1.00 1.00 H new ATOM 0 HG2 PRO A 55 -5.239 18.075 -7.682 1.00 1.00 H new ATOM 0 HG3 PRO A 55 -5.477 18.405 -5.977 1.00 1.00 H new ATOM 0 HD2 PRO A 55 -4.700 15.822 -7.308 1.00 1.00 H new ATOM 0 HD3 PRO A 55 -4.200 16.454 -5.752 1.00 1.00 H new ATOM 907 N GLU A 56 -9.773 15.770 -6.301 1.00 1.00 N ATOM 908 CA GLU A 56 -10.899 14.989 -6.792 1.00 1.00 C ATOM 909 C GLU A 56 -10.853 13.575 -6.219 1.00 1.00 C ATOM 910 O GLU A 56 -11.210 12.621 -6.904 1.00 1.00 O ATOM 911 CB GLU A 56 -10.890 14.943 -8.313 1.00 1.00 C ATOM 912 CG GLU A 56 -10.802 16.313 -8.971 1.00 1.00 C ATOM 913 CD GLU A 56 -11.896 17.251 -8.497 1.00 1.00 C ATOM 914 OE1 GLU A 56 -12.979 16.762 -8.111 1.00 1.00 O ATOM 915 OE2 GLU A 56 -11.670 18.479 -8.521 1.00 1.00 O ATOM 0 H GLU A 56 -10.040 16.627 -5.817 1.00 1.00 H new ATOM 0 HA GLU A 56 -11.822 15.468 -6.465 1.00 1.00 H new ATOM 0 HB2 GLU A 56 -10.046 14.337 -8.643 1.00 1.00 H new ATOM 0 HB3 GLU A 56 -11.795 14.443 -8.657 1.00 1.00 H new ATOM 0 HG2 GLU A 56 -9.829 16.755 -8.756 1.00 1.00 H new ATOM 0 HG3 GLU A 56 -10.868 16.199 -10.053 1.00 1.00 H new ATOM 922 N ARG A 57 -10.396 13.447 -4.977 1.00 1.00 N ATOM 923 CA ARG A 57 -10.308 12.144 -4.334 1.00 1.00 C ATOM 924 C ARG A 57 -10.515 12.266 -2.834 1.00 1.00 C ATOM 925 O ARG A 57 -10.233 13.311 -2.243 1.00 1.00 O ATOM 926 CB ARG A 57 -8.949 11.505 -4.615 1.00 1.00 C ATOM 927 CG ARG A 57 -9.043 10.075 -5.131 1.00 1.00 C ATOM 928 CD ARG A 57 -9.225 10.054 -6.642 1.00 1.00 C ATOM 929 NE ARG A 57 -8.132 10.725 -7.340 1.00 1.00 N ATOM 930 CZ ARG A 57 -8.024 10.770 -8.667 1.00 1.00 C ATOM 931 NH1 ARG A 57 -8.936 10.187 -9.434 1.00 1.00 N ATOM 932 NH2 ARG A 57 -7.004 11.406 -9.228 1.00 1.00 N ATOM 0 H ARG A 57 -10.083 14.227 -4.399 1.00 1.00 H new ATOM 0 HA ARG A 57 -11.095 11.511 -4.745 1.00 1.00 H new ATOM 0 HB2 ARG A 57 -8.416 12.112 -5.346 1.00 1.00 H new ATOM 0 HB3 ARG A 57 -8.356 11.514 -3.700 1.00 1.00 H new ATOM 0 HG2 ARG A 57 -8.140 9.527 -4.862 1.00 1.00 H new ATOM 0 HG3 ARG A 57 -9.880 9.566 -4.653 1.00 1.00 H new ATOM 0 HD2 ARG A 57 -9.292 9.021 -6.984 1.00 1.00 H new ATOM 0 HD3 ARG A 57 -10.168 10.536 -6.899 1.00 1.00 H new ATOM 0 HE ARG A 57 -7.412 11.184 -6.781 1.00 1.00 H new ATOM 0 HH11 ARG A 57 -9.725 9.701 -9.008 1.00 1.00 H new ATOM 0 HH12 ARG A 57 -8.848 10.225 -10.449 1.00 1.00 H new ATOM 0 HH21 ARG A 57 -6.303 11.860 -8.643 1.00 1.00 H new ATOM 0 HH22 ARG A 57 -6.921 11.441 -10.244 1.00 1.00 H new ATOM 946 N THR A 58 -11.010 11.189 -2.223 1.00 1.00 N ATOM 947 CA THR A 58 -11.251 11.174 -0.784 1.00 1.00 C ATOM 948 C THR A 58 -10.059 10.645 -0.001 1.00 1.00 C ATOM 949 O THR A 58 -10.006 9.473 0.363 1.00 1.00 O ATOM 950 CB THR A 58 -12.494 10.337 -0.477 1.00 1.00 C ATOM 951 OG1 THR A 58 -12.772 9.426 -1.530 1.00 1.00 O ATOM 952 CG2 THR A 58 -13.735 11.168 -0.249 1.00 1.00 C ATOM 0 H THR A 58 -11.250 10.321 -2.701 1.00 1.00 H new ATOM 0 HA THR A 58 -11.410 12.205 -0.468 1.00 1.00 H new ATOM 0 HB THR A 58 -12.256 9.806 0.445 1.00 1.00 H new ATOM 0 HG1 THR A 58 -12.185 8.645 -1.451 1.00 1.00 H new ATOM 0 HG21 THR A 58 -14.579 10.511 -0.036 1.00 1.00 H new ATOM 0 HG22 THR A 58 -13.574 11.837 0.596 1.00 1.00 H new ATOM 0 HG23 THR A 58 -13.949 11.756 -1.142 1.00 1.00 H new ATOM 960 N ASN A 59 -9.095 11.512 0.251 1.00 1.00 N ATOM 961 CA ASN A 59 -7.895 11.111 0.990 1.00 1.00 C ATOM 962 C ASN A 59 -7.969 11.540 2.454 1.00 1.00 C ATOM 963 O ASN A 59 -8.478 12.617 2.769 1.00 1.00 O ATOM 964 CB ASN A 59 -6.653 11.721 0.342 1.00 1.00 C ATOM 965 CG ASN A 59 -5.991 10.776 -0.637 1.00 1.00 C ATOM 966 OD1 ASN A 59 -6.643 10.547 -1.770 1.00 1.00 O flip ATOM 967 ND2 ASN A 59 -4.902 10.261 -0.386 1.00 1.00 N flip ATOM 0 H ASN A 59 -9.111 12.490 -0.038 1.00 1.00 H new ATOM 0 HA ASN A 59 -7.833 10.023 0.956 1.00 1.00 H new ATOM 0 HB2 ASN A 59 -6.930 12.640 -0.175 1.00 1.00 H new ATOM 0 HB3 ASN A 59 -5.939 11.995 1.118 1.00 1.00 H new ATOM 0 HD21 ASN A 59 -4.434 10.463 0.497 1.00 1.00 H new ATOM 0 HD22 ASN A 59 -4.468 9.632 -1.061 1.00 1.00 H new ATOM 974 N VAL A 60 -7.485 10.682 3.347 1.00 1.00 N ATOM 975 CA VAL A 60 -7.502 10.979 4.773 1.00 1.00 C ATOM 976 C VAL A 60 -6.117 10.845 5.397 1.00 1.00 C ATOM 977 O VAL A 60 -5.449 9.836 5.182 1.00 1.00 O ATOM 978 CB VAL A 60 -8.464 10.052 5.534 1.00 1.00 C ATOM 979 CG1 VAL A 60 -8.570 10.468 6.995 1.00 1.00 C ATOM 980 CG2 VAL A 60 -9.835 10.065 4.856 1.00 1.00 C ATOM 0 H VAL A 60 -7.077 9.778 3.108 1.00 1.00 H new ATOM 0 HA VAL A 60 -7.841 12.011 4.859 1.00 1.00 H new ATOM 0 HB VAL A 60 -8.073 9.035 5.510 1.00 1.00 H new ATOM 0 HG11 VAL A 60 -9.256 9.799 7.515 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -7.586 10.413 7.461 1.00 1.00 H new ATOM 0 HG13 VAL A 60 -8.944 11.490 7.056 1.00 1.00 H new ATOM 0 HG21 VAL A 60 -10.515 9.407 5.397 1.00 1.00 H new ATOM 0 HG22 VAL A 60 -10.233 11.080 4.859 1.00 1.00 H new ATOM 0 HG23 VAL A 60 -9.736 9.717 3.828 1.00 1.00 H new ATOM 990 N VAL A 61 -5.687 11.835 6.198 1.00 1.00 N ATOM 991 CA VAL A 61 -4.375 11.735 6.840 1.00 1.00 C ATOM 992 C VAL A 61 -4.552 11.501 8.331 1.00 1.00 C ATOM 993 O VAL A 61 -5.317 12.184 8.988 1.00 1.00 O ATOM 994 CB VAL A 61 -3.497 12.986 6.629 1.00 1.00 C ATOM 995 CG1 VAL A 61 -2.669 13.260 7.865 1.00 1.00 C ATOM 996 CG2 VAL A 61 -2.609 12.787 5.403 1.00 1.00 C ATOM 0 H VAL A 61 -6.211 12.684 6.409 1.00 1.00 H new ATOM 0 HA VAL A 61 -3.862 10.896 6.370 1.00 1.00 H new ATOM 0 HB VAL A 61 -4.135 13.853 6.457 1.00 1.00 H new ATOM 0 HG11 VAL A 61 -2.054 14.145 7.702 1.00 1.00 H new ATOM 0 HG12 VAL A 61 -3.330 13.428 8.716 1.00 1.00 H new ATOM 0 HG13 VAL A 61 -2.026 12.404 8.069 1.00 1.00 H new ATOM 0 HG21 VAL A 61 -1.989 13.671 5.255 1.00 1.00 H new ATOM 0 HG22 VAL A 61 -1.970 11.917 5.554 1.00 1.00 H new ATOM 0 HG23 VAL A 61 -3.233 12.630 4.523 1.00 1.00 H new ATOM 1006 N LEU A 62 -3.853 10.506 8.867 1.00 1.00 N ATOM 1007 CA LEU A 62 -3.970 10.185 10.289 1.00 1.00 C ATOM 1008 C LEU A 62 -2.852 10.843 11.086 1.00 1.00 C ATOM 1009 O LEU A 62 -1.676 10.676 10.771 1.00 1.00 O ATOM 1010 CB LEU A 62 -3.934 8.678 10.491 1.00 1.00 C ATOM 1011 CG LEU A 62 -5.136 7.932 9.916 1.00 1.00 C ATOM 1012 CD1 LEU A 62 -4.720 6.557 9.432 1.00 1.00 C ATOM 1013 CD2 LEU A 62 -6.247 7.827 10.953 1.00 1.00 C ATOM 0 H LEU A 62 -3.206 9.913 8.347 1.00 1.00 H new ATOM 0 HA LEU A 62 -4.924 10.571 10.649 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -3.026 8.285 10.034 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -3.870 8.469 11.559 1.00 1.00 H new ATOM 0 HG LEU A 62 -5.519 8.494 9.065 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -5.587 6.037 9.025 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -3.961 6.659 8.657 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -4.313 5.985 10.266 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -7.095 7.292 10.525 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -5.880 7.286 11.826 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -6.562 8.827 11.251 1.00 1.00 H new ATOM 1025 N THR A 63 -3.240 11.591 12.108 1.00 1.00 N ATOM 1026 CA THR A 63 -2.302 12.294 12.965 1.00 1.00 C ATOM 1027 C THR A 63 -2.634 12.076 14.442 1.00 1.00 C ATOM 1028 O THR A 63 -3.762 11.712 14.796 1.00 1.00 O ATOM 1029 CB THR A 63 -2.303 13.791 12.654 1.00 1.00 C ATOM 1030 OG1 THR A 63 -3.432 14.424 13.237 1.00 1.00 O ATOM 1031 CG2 THR A 63 -2.334 14.092 11.176 1.00 1.00 C ATOM 0 H THR A 63 -4.218 11.727 12.366 1.00 1.00 H new ATOM 0 HA THR A 63 -1.310 11.889 12.767 1.00 1.00 H new ATOM 0 HB THR A 63 -1.371 14.172 13.072 1.00 1.00 H new ATOM 0 HG1 THR A 63 -3.149 14.944 14.018 1.00 1.00 H new ATOM 0 HG21 THR A 63 -2.333 15.171 11.024 1.00 1.00 H new ATOM 0 HG22 THR A 63 -1.456 13.658 10.698 1.00 1.00 H new ATOM 0 HG23 THR A 63 -3.235 13.665 10.736 1.00 1.00 H new ATOM 1039 N HIS A 64 -1.634 12.288 15.285 1.00 1.00 N ATOM 1040 CA HIS A 64 -1.783 12.119 16.731 1.00 1.00 C ATOM 1041 C HIS A 64 -2.737 13.148 17.334 1.00 1.00 C ATOM 1042 O HIS A 64 -3.526 12.816 18.218 1.00 1.00 O ATOM 1043 CB HIS A 64 -0.423 12.209 17.410 1.00 1.00 C ATOM 1044 CG HIS A 64 0.047 10.901 17.965 1.00 1.00 C ATOM 1045 ND1 HIS A 64 -0.101 9.637 17.503 1.00 1.00 N flip ATOM 1046 CD2 HIS A 64 0.778 10.797 19.130 1.00 1.00 C flip ATOM 1047 CE1 HIS A 64 0.537 8.802 18.386 1.00 1.00 C flip ATOM 1048 NE2 HIS A 64 1.060 9.525 19.358 1.00 1.00 N flip ATOM 0 H HIS A 64 -0.701 12.580 14.993 1.00 1.00 H new ATOM 0 HA HIS A 64 -2.214 11.132 16.902 1.00 1.00 H new ATOM 0 HB2 HIS A 64 0.311 12.576 16.692 1.00 1.00 H new ATOM 0 HB3 HIS A 64 -0.474 12.941 18.216 1.00 1.00 H new ATOM 0 HD2 HIS A 64 1.074 11.625 19.758 1.00 1.00 H new ATOM 0 HE1 HIS A 64 0.601 7.727 18.299 1.00 1.00 H new ATOM 0 HE2 HIS A 64 1.591 9.164 20.150 1.00 1.00 H new ATOM 1057 N GLN A 65 -2.636 14.395 16.885 1.00 1.00 N ATOM 1058 CA GLN A 65 -3.479 15.457 17.422 1.00 1.00 C ATOM 1059 C GLN A 65 -4.638 15.821 16.489 1.00 1.00 C ATOM 1060 O GLN A 65 -4.447 16.093 15.305 1.00 1.00 O ATOM 1061 CB GLN A 65 -2.622 16.688 17.724 1.00 1.00 C ATOM 1062 CG GLN A 65 -2.557 17.028 19.198 1.00 1.00 C ATOM 1063 CD GLN A 65 -1.342 16.453 19.892 1.00 1.00 C ATOM 1064 OE1 GLN A 65 -0.223 16.535 19.387 1.00 1.00 O ATOM 1065 NE2 GLN A 65 -1.557 15.856 21.060 1.00 1.00 N ATOM 0 H GLN A 65 -1.986 14.693 16.158 1.00 1.00 H new ATOM 0 HA GLN A 65 -3.929 15.086 18.343 1.00 1.00 H new ATOM 0 HB2 GLN A 65 -1.611 16.518 17.353 1.00 1.00 H new ATOM 0 HB3 GLN A 65 -3.022 17.543 17.179 1.00 1.00 H new ATOM 0 HG2 GLN A 65 -2.554 18.112 19.314 1.00 1.00 H new ATOM 0 HG3 GLN A 65 -3.457 16.657 19.689 1.00 1.00 H new ATOM 0 HE21 GLN A 65 -2.501 15.810 21.443 1.00 1.00 H new ATOM 0 HE22 GLN A 65 -0.778 15.444 21.573 1.00 1.00 H new ATOM 1074 N GLU A 66 -5.835 15.841 17.072 1.00 1.00 N ATOM 1075 CA GLU A 66 -7.073 16.182 16.372 1.00 1.00 C ATOM 1076 C GLU A 66 -7.074 17.648 15.956 1.00 1.00 C ATOM 1077 O GLU A 66 -7.624 18.015 14.916 1.00 1.00 O ATOM 1078 CB GLU A 66 -8.288 15.898 17.263 1.00 1.00 C ATOM 1079 CG GLU A 66 -8.428 16.869 18.422 1.00 1.00 C ATOM 1080 CD GLU A 66 -9.684 16.626 19.233 1.00 1.00 C ATOM 1081 OE1 GLU A 66 -10.023 15.445 19.465 1.00 1.00 O ATOM 1082 OE2 GLU A 66 -10.325 17.614 19.644 1.00 1.00 O ATOM 0 H GLU A 66 -5.975 15.618 18.057 1.00 1.00 H new ATOM 0 HA GLU A 66 -7.134 15.563 15.477 1.00 1.00 H new ATOM 0 HB2 GLU A 66 -9.192 15.937 16.655 1.00 1.00 H new ATOM 0 HB3 GLU A 66 -8.212 14.884 17.656 1.00 1.00 H new ATOM 0 HG2 GLU A 66 -7.557 16.782 19.072 1.00 1.00 H new ATOM 0 HG3 GLU A 66 -8.439 17.889 18.038 1.00 1.00 H new ATOM 1089 N ASP A 67 -6.479 18.489 16.805 1.00 1.00 N ATOM 1090 CA ASP A 67 -6.435 19.937 16.561 1.00 1.00 C ATOM 1091 C ASP A 67 -5.622 20.268 15.308 1.00 1.00 C ATOM 1092 O ASP A 67 -5.944 21.213 14.582 1.00 1.00 O ATOM 1093 CB ASP A 67 -5.841 20.656 17.770 1.00 1.00 C ATOM 1094 CG ASP A 67 -5.817 22.159 17.584 1.00 1.00 C ATOM 1095 OD1 ASP A 67 -6.752 22.685 16.946 1.00 1.00 O ATOM 1096 OD2 ASP A 67 -4.870 22.810 18.074 1.00 1.00 O ATOM 0 H ASP A 67 -6.021 18.195 17.667 1.00 1.00 H new ATOM 0 HA ASP A 67 -7.457 20.280 16.402 1.00 1.00 H new ATOM 0 HB2 ASP A 67 -6.422 20.410 18.659 1.00 1.00 H new ATOM 0 HB3 ASP A 67 -4.827 20.296 17.943 1.00 1.00 H new ATOM 1101 N TYR A 68 -4.576 19.497 15.054 1.00 1.00 N ATOM 1102 CA TYR A 68 -3.746 19.724 13.877 1.00 1.00 C ATOM 1103 C TYR A 68 -4.539 19.375 12.626 1.00 1.00 C ATOM 1104 O TYR A 68 -5.286 18.399 12.621 1.00 1.00 O ATOM 1105 CB TYR A 68 -2.477 18.882 13.961 1.00 1.00 C ATOM 1106 CG TYR A 68 -1.275 19.548 13.333 1.00 1.00 C ATOM 1107 CD1 TYR A 68 -0.786 20.764 13.799 1.00 1.00 C ATOM 1108 CD2 TYR A 68 -0.630 18.949 12.255 1.00 1.00 C ATOM 1109 CE1 TYR A 68 0.311 21.363 13.211 1.00 1.00 C ATOM 1110 CE2 TYR A 68 0.469 19.543 11.663 1.00 1.00 C ATOM 1111 CZ TYR A 68 0.935 20.749 12.144 1.00 1.00 C ATOM 1112 OH TYR A 68 2.033 21.341 11.568 1.00 1.00 O ATOM 0 H TYR A 68 -4.282 18.715 15.640 1.00 1.00 H new ATOM 0 HA TYR A 68 -3.456 20.774 13.832 1.00 1.00 H new ATOM 0 HB2 TYR A 68 -2.260 18.668 15.008 1.00 1.00 H new ATOM 0 HB3 TYR A 68 -2.651 17.925 13.470 1.00 1.00 H new ATOM 0 HD1 TYR A 68 -1.272 21.247 14.634 1.00 1.00 H new ATOM 0 HD2 TYR A 68 -0.994 18.006 11.875 1.00 1.00 H new ATOM 0 HE1 TYR A 68 0.679 22.307 13.584 1.00 1.00 H new ATOM 0 HE2 TYR A 68 0.960 19.065 10.828 1.00 1.00 H new ATOM 0 HH TYR A 68 2.356 20.783 10.830 1.00 1.00 H new ATOM 1122 N GLN A 69 -4.409 20.186 11.588 1.00 1.00 N ATOM 1123 CA GLN A 69 -5.154 19.944 10.365 1.00 1.00 C ATOM 1124 C GLN A 69 -4.246 19.415 9.261 1.00 1.00 C ATOM 1125 O GLN A 69 -3.266 20.049 8.870 1.00 1.00 O ATOM 1126 CB GLN A 69 -5.851 21.228 9.916 1.00 1.00 C ATOM 1127 CG GLN A 69 -4.909 22.314 9.464 1.00 1.00 C ATOM 1128 CD GLN A 69 -5.552 23.686 9.476 1.00 1.00 C ATOM 1129 OE1 GLN A 69 -5.619 24.362 8.450 1.00 1.00 O ATOM 1130 NE2 GLN A 69 -6.026 24.106 10.643 1.00 1.00 N ATOM 0 H GLN A 69 -3.803 21.006 11.568 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.907 19.183 10.568 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -6.534 20.992 9.100 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -6.457 21.607 10.739 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -4.032 22.322 10.112 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -4.559 22.090 8.456 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -5.949 23.512 11.468 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -6.467 25.023 10.714 1.00 1.00 H new ATOM 1139 N ALA A 70 -4.597 18.245 8.760 1.00 1.00 N ATOM 1140 CA ALA A 70 -3.867 17.587 7.681 1.00 1.00 C ATOM 1141 C ALA A 70 -4.091 18.298 6.357 1.00 1.00 C ATOM 1142 O ALA A 70 -5.171 18.842 6.116 1.00 1.00 O ATOM 1143 CB ALA A 70 -4.251 16.125 7.571 1.00 1.00 C ATOM 0 H ALA A 70 -5.404 17.716 9.091 1.00 1.00 H new ATOM 0 HA ALA A 70 -2.805 17.641 7.922 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -3.691 15.662 6.759 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -4.020 15.617 8.507 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -5.319 16.044 7.368 1.00 1.00 H new ATOM 1149 N GLN A 71 -3.082 18.295 5.511 1.00 1.00 N ATOM 1150 CA GLN A 71 -3.209 18.935 4.216 1.00 1.00 C ATOM 1151 C GLN A 71 -3.448 17.877 3.146 1.00 1.00 C ATOM 1152 O GLN A 71 -2.710 16.902 3.031 1.00 1.00 O ATOM 1153 CB GLN A 71 -1.946 19.732 3.890 1.00 1.00 C ATOM 1154 CG GLN A 71 -2.182 21.233 3.778 1.00 1.00 C ATOM 1155 CD GLN A 71 -1.865 21.971 5.069 1.00 1.00 C ATOM 1156 OE1 GLN A 71 -1.180 21.447 5.947 1.00 1.00 O ATOM 1157 NE2 GLN A 71 -2.367 23.195 5.186 1.00 1.00 N ATOM 0 H GLN A 71 -2.176 17.863 5.692 1.00 1.00 H new ATOM 0 HA GLN A 71 -4.055 19.622 4.241 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -1.200 19.547 4.663 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -1.529 19.367 2.951 1.00 1.00 H new ATOM 0 HG2 GLN A 71 -1.567 21.635 2.973 1.00 1.00 H new ATOM 0 HG3 GLN A 71 -3.222 21.415 3.506 1.00 1.00 H new ATOM 0 HE21 GLN A 71 -2.930 23.590 4.432 1.00 1.00 H new ATOM 0 HE22 GLN A 71 -2.190 23.740 6.030 1.00 1.00 H new ATOM 1166 N GLY A 72 -4.509 18.080 2.390 1.00 1.00 N ATOM 1167 CA GLY A 72 -4.869 17.154 1.329 1.00 1.00 C ATOM 1168 C GLY A 72 -5.594 15.916 1.816 1.00 1.00 C ATOM 1169 O GLY A 72 -6.112 15.144 1.002 1.00 1.00 O ATOM 0 H GLY A 72 -5.138 18.877 2.489 1.00 1.00 H new ATOM 0 HA2 GLY A 72 -5.500 17.672 0.606 1.00 1.00 H new ATOM 0 HA3 GLY A 72 -3.964 16.850 0.803 1.00 1.00 H new ATOM 1173 N ALA A 73 -5.655 15.710 3.141 1.00 1.00 N ATOM 1174 CA ALA A 73 -6.362 14.552 3.682 1.00 1.00 C ATOM 1175 C ALA A 73 -6.932 14.833 5.087 1.00 1.00 C ATOM 1176 O ALA A 73 -6.280 15.477 5.899 1.00 1.00 O ATOM 1177 CB ALA A 73 -5.411 13.373 3.699 1.00 1.00 C ATOM 0 H ALA A 73 -5.231 16.320 3.840 1.00 1.00 H new ATOM 0 HA ALA A 73 -7.217 14.325 3.046 1.00 1.00 H new ATOM 0 HB1 ALA A 73 -5.923 12.498 4.101 1.00 1.00 H new ATOM 0 HB2 ALA A 73 -5.075 13.162 2.684 1.00 1.00 H new ATOM 0 HB3 ALA A 73 -4.550 13.609 4.325 1.00 1.00 H new ATOM 1183 N VAL A 74 -8.127 14.324 5.381 1.00 1.00 N ATOM 1184 CA VAL A 74 -8.778 14.543 6.690 1.00 1.00 C ATOM 1185 C VAL A 74 -7.992 13.977 7.872 1.00 1.00 C ATOM 1186 O VAL A 74 -7.457 12.878 7.812 1.00 1.00 O ATOM 1187 CB VAL A 74 -10.186 13.921 6.714 1.00 1.00 C ATOM 1188 CG1 VAL A 74 -10.727 13.846 8.138 1.00 1.00 C ATOM 1189 CG2 VAL A 74 -11.127 14.702 5.811 1.00 1.00 C ATOM 0 H VAL A 74 -8.673 13.754 4.734 1.00 1.00 H new ATOM 0 HA VAL A 74 -8.825 15.626 6.803 1.00 1.00 H new ATOM 0 HB VAL A 74 -10.117 12.902 6.334 1.00 1.00 H new ATOM 0 HG11 VAL A 74 -11.723 13.403 8.126 1.00 1.00 H new ATOM 0 HG12 VAL A 74 -10.064 13.232 8.747 1.00 1.00 H new ATOM 0 HG13 VAL A 74 -10.782 14.850 8.560 1.00 1.00 H new ATOM 0 HG21 VAL A 74 -12.118 14.249 5.839 1.00 1.00 H new ATOM 0 HG22 VAL A 74 -11.190 15.734 6.156 1.00 1.00 H new ATOM 0 HG23 VAL A 74 -10.749 14.684 4.789 1.00 1.00 H new ATOM 1199 N VAL A 75 -7.938 14.752 8.969 1.00 1.00 N ATOM 1200 CA VAL A 75 -7.207 14.343 10.169 1.00 1.00 C ATOM 1201 C VAL A 75 -8.091 13.585 11.164 1.00 1.00 C ATOM 1202 O VAL A 75 -9.059 14.119 11.707 1.00 1.00 O ATOM 1203 CB VAL A 75 -6.555 15.562 10.888 1.00 1.00 C ATOM 1204 CG1 VAL A 75 -6.778 15.524 12.405 1.00 1.00 C ATOM 1205 CG2 VAL A 75 -5.066 15.609 10.603 1.00 1.00 C ATOM 0 H VAL A 75 -8.392 15.662 9.044 1.00 1.00 H new ATOM 0 HA VAL A 75 -6.424 13.669 9.823 1.00 1.00 H new ATOM 0 HB VAL A 75 -7.037 16.458 10.496 1.00 1.00 H new ATOM 0 HG11 VAL A 75 -6.306 16.393 12.864 1.00 1.00 H new ATOM 0 HG12 VAL A 75 -7.847 15.538 12.616 1.00 1.00 H new ATOM 0 HG13 VAL A 75 -6.339 14.614 12.815 1.00 1.00 H new ATOM 0 HG21 VAL A 75 -4.625 16.466 11.112 1.00 1.00 H new ATOM 0 HG22 VAL A 75 -4.598 14.693 10.963 1.00 1.00 H new ATOM 0 HG23 VAL A 75 -4.904 15.702 9.529 1.00 1.00 H new ATOM 1215 N VAL A 76 -7.703 12.336 11.404 1.00 1.00 N ATOM 1216 CA VAL A 76 -8.400 11.466 12.341 1.00 1.00 C ATOM 1217 C VAL A 76 -7.436 10.942 13.400 1.00 1.00 C ATOM 1218 O VAL A 76 -6.356 10.432 13.064 1.00 1.00 O ATOM 1219 CB VAL A 76 -9.046 10.276 11.609 1.00 1.00 C ATOM 1220 CG1 VAL A 76 -9.449 9.185 12.584 1.00 1.00 C ATOM 1221 CG2 VAL A 76 -10.251 10.755 10.811 1.00 1.00 C ATOM 0 H VAL A 76 -6.898 11.901 10.954 1.00 1.00 H new ATOM 0 HA VAL A 76 -9.182 12.054 12.821 1.00 1.00 H new ATOM 0 HB VAL A 76 -8.312 9.851 10.925 1.00 1.00 H new ATOM 0 HG11 VAL A 76 -9.902 8.358 12.038 1.00 1.00 H new ATOM 0 HG12 VAL A 76 -8.567 8.828 13.116 1.00 1.00 H new ATOM 0 HG13 VAL A 76 -10.168 9.584 13.300 1.00 1.00 H new ATOM 0 HG21 VAL A 76 -10.705 9.909 10.295 1.00 1.00 H new ATOM 0 HG22 VAL A 76 -10.981 11.202 11.487 1.00 1.00 H new ATOM 0 HG23 VAL A 76 -9.931 11.497 10.080 1.00 1.00 H new ATOM 1231 N HIS A 77 -7.816 11.069 14.651 1.00 1.00 N ATOM 1232 CA HIS A 77 -6.970 10.591 15.736 1.00 1.00 C ATOM 1233 C HIS A 77 -7.463 9.275 16.347 1.00 1.00 C ATOM 1234 O HIS A 77 -6.760 8.663 17.145 1.00 1.00 O ATOM 1235 CB HIS A 77 -6.877 11.664 16.839 1.00 1.00 C ATOM 1236 CG HIS A 77 -8.199 12.022 17.438 1.00 1.00 C ATOM 1237 ND1 HIS A 77 -9.228 12.750 16.945 1.00 1.00 N flip ATOM 1238 CD2 HIS A 77 -8.577 11.638 18.708 1.00 1.00 C flip ATOM 1239 CE1 HIS A 77 -10.197 12.794 17.916 1.00 1.00 C flip ATOM 1240 NE2 HIS A 77 -9.780 12.115 18.969 1.00 1.00 N flip ATOM 0 H HIS A 77 -8.695 11.494 14.947 1.00 1.00 H new ATOM 0 HA HIS A 77 -5.988 10.398 15.305 1.00 1.00 H new ATOM 0 HB2 HIS A 77 -6.215 11.306 17.628 1.00 1.00 H new ATOM 0 HB3 HIS A 77 -6.421 12.562 16.423 1.00 1.00 H new ATOM 0 HD2 HIS A 77 -7.982 11.041 19.383 1.00 1.00 H new ATOM 0 HE1 HIS A 77 -11.147 13.302 17.832 1.00 1.00 H new ATOM 0 HE2 HIS A 77 -10.299 11.982 19.837 1.00 1.00 H new ATOM 1249 N ASP A 78 -8.679 8.863 15.995 1.00 1.00 N ATOM 1250 CA ASP A 78 -9.251 7.637 16.544 1.00 1.00 C ATOM 1251 C ASP A 78 -9.122 6.460 15.585 1.00 1.00 C ATOM 1252 O ASP A 78 -9.760 6.443 14.529 1.00 1.00 O ATOM 1253 CB ASP A 78 -10.730 7.860 16.902 1.00 1.00 C ATOM 1254 CG ASP A 78 -10.900 8.711 18.143 1.00 1.00 C ATOM 1255 OD1 ASP A 78 -9.920 9.369 18.552 1.00 1.00 O ATOM 1256 OD2 ASP A 78 -12.015 8.725 18.704 1.00 1.00 O ATOM 0 H ASP A 78 -9.283 9.356 15.337 1.00 1.00 H new ATOM 0 HA ASP A 78 -8.686 7.390 17.443 1.00 1.00 H new ATOM 0 HB2 ASP A 78 -11.236 8.339 16.064 1.00 1.00 H new ATOM 0 HB3 ASP A 78 -11.213 6.895 17.057 1.00 1.00 H new ATOM 1261 N VAL A 79 -8.320 5.465 15.958 1.00 1.00 N ATOM 1262 CA VAL A 79 -8.145 4.276 15.140 1.00 1.00 C ATOM 1263 C VAL A 79 -9.472 3.525 14.993 1.00 1.00 C ATOM 1264 O VAL A 79 -9.831 3.067 13.922 1.00 1.00 O ATOM 1265 CB VAL A 79 -7.086 3.313 15.721 1.00 1.00 C ATOM 1266 CG1 VAL A 79 -7.410 2.966 17.159 1.00 1.00 C ATOM 1267 CG2 VAL A 79 -6.986 2.064 14.869 1.00 1.00 C ATOM 0 H VAL A 79 -7.782 5.463 16.824 1.00 1.00 H new ATOM 0 HA VAL A 79 -7.797 4.618 14.165 1.00 1.00 H new ATOM 0 HB VAL A 79 -6.117 3.813 15.708 1.00 1.00 H new ATOM 0 HG11 VAL A 79 -6.652 2.287 17.549 1.00 1.00 H new ATOM 0 HG12 VAL A 79 -7.425 3.876 17.758 1.00 1.00 H new ATOM 0 HG13 VAL A 79 -8.387 2.485 17.206 1.00 1.00 H new ATOM 0 HG21 VAL A 79 -6.236 1.395 15.291 1.00 1.00 H new ATOM 0 HG22 VAL A 79 -7.952 1.559 14.848 1.00 1.00 H new ATOM 0 HG23 VAL A 79 -6.698 2.338 13.854 1.00 1.00 H new ATOM 1277 N ALA A 80 -10.179 3.406 16.118 1.00 1.00 N ATOM 1278 CA ALA A 80 -11.469 2.722 16.155 1.00 1.00 C ATOM 1279 C ALA A 80 -12.505 3.436 15.296 1.00 1.00 C ATOM 1280 O ALA A 80 -13.321 2.799 14.622 1.00 1.00 O ATOM 1281 CB ALA A 80 -11.951 2.575 17.590 1.00 1.00 C ATOM 0 H ALA A 80 -9.877 3.777 17.019 1.00 1.00 H new ATOM 0 HA ALA A 80 -11.334 1.725 15.735 1.00 1.00 H new ATOM 0 HB1 ALA A 80 -12.913 2.063 17.600 1.00 1.00 H new ATOM 0 HB2 ALA A 80 -11.226 1.994 18.160 1.00 1.00 H new ATOM 0 HB3 ALA A 80 -12.060 3.562 18.040 1.00 1.00 H new ATOM 1287 N ALA A 81 -12.468 4.762 15.308 1.00 1.00 N ATOM 1288 CA ALA A 81 -13.403 5.552 14.525 1.00 1.00 C ATOM 1289 C ALA A 81 -13.216 5.268 13.046 1.00 1.00 C ATOM 1290 O ALA A 81 -14.193 5.186 12.303 1.00 1.00 O ATOM 1291 CB ALA A 81 -13.202 7.035 14.797 1.00 1.00 C ATOM 0 H ALA A 81 -11.801 5.310 15.851 1.00 1.00 H new ATOM 0 HA ALA A 81 -14.417 5.277 14.815 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -13.910 7.613 14.203 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -13.367 7.236 15.855 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -12.185 7.320 14.528 1.00 1.00 H new ATOM 1297 N VAL A 82 -11.970 5.092 12.614 1.00 1.00 N ATOM 1298 CA VAL A 82 -11.694 4.788 11.218 1.00 1.00 C ATOM 1299 C VAL A 82 -12.322 3.446 10.830 1.00 1.00 C ATOM 1300 O VAL A 82 -12.951 3.337 9.768 1.00 1.00 O ATOM 1301 CB VAL A 82 -10.176 4.760 10.940 1.00 1.00 C ATOM 1302 CG1 VAL A 82 -9.907 4.240 9.536 1.00 1.00 C ATOM 1303 CG2 VAL A 82 -9.580 6.142 11.117 1.00 1.00 C ATOM 0 H VAL A 82 -11.143 5.155 13.208 1.00 1.00 H new ATOM 0 HA VAL A 82 -12.137 5.578 10.612 1.00 1.00 H new ATOM 0 HB VAL A 82 -9.703 4.087 11.656 1.00 1.00 H new ATOM 0 HG11 VAL A 82 -8.833 4.225 9.353 1.00 1.00 H new ATOM 0 HG12 VAL A 82 -10.305 3.230 9.440 1.00 1.00 H new ATOM 0 HG13 VAL A 82 -10.390 4.892 8.808 1.00 1.00 H new ATOM 0 HG21 VAL A 82 -8.509 6.105 10.917 1.00 1.00 H new ATOM 0 HG22 VAL A 82 -10.055 6.835 10.422 1.00 1.00 H new ATOM 0 HG23 VAL A 82 -9.747 6.482 12.139 1.00 1.00 H new ATOM 1313 N PHE A 83 -12.180 2.451 11.695 1.00 1.00 N ATOM 1314 CA PHE A 83 -12.753 1.139 11.460 1.00 1.00 C ATOM 1315 C PHE A 83 -14.270 1.221 11.351 1.00 1.00 C ATOM 1316 O PHE A 83 -14.883 0.650 10.447 1.00 1.00 O ATOM 1317 CB PHE A 83 -12.377 0.193 12.590 1.00 1.00 C ATOM 1318 CG PHE A 83 -12.679 -1.250 12.279 1.00 1.00 C ATOM 1319 CD1 PHE A 83 -13.989 -1.703 12.255 1.00 1.00 C ATOM 1320 CD2 PHE A 83 -11.657 -2.145 12.006 1.00 1.00 C ATOM 1321 CE1 PHE A 83 -14.274 -3.024 11.961 1.00 1.00 C ATOM 1322 CE2 PHE A 83 -11.936 -3.467 11.713 1.00 1.00 C ATOM 1323 CZ PHE A 83 -13.246 -3.906 11.691 1.00 1.00 C ATOM 0 H PHE A 83 -11.667 2.532 12.573 1.00 1.00 H new ATOM 0 HA PHE A 83 -12.354 0.760 10.519 1.00 1.00 H new ATOM 0 HB2 PHE A 83 -11.313 0.297 12.804 1.00 1.00 H new ATOM 0 HB3 PHE A 83 -12.914 0.484 13.493 1.00 1.00 H new ATOM 0 HD1 PHE A 83 -14.796 -1.017 12.468 1.00 1.00 H new ATOM 0 HD2 PHE A 83 -10.632 -1.806 12.022 1.00 1.00 H new ATOM 0 HE1 PHE A 83 -15.298 -3.365 11.943 1.00 1.00 H new ATOM 0 HE2 PHE A 83 -11.131 -4.156 11.502 1.00 1.00 H new ATOM 0 HZ PHE A 83 -13.466 -4.938 11.463 1.00 1.00 H new ATOM 1333 N ALA A 84 -14.867 1.951 12.287 1.00 1.00 N ATOM 1334 CA ALA A 84 -16.312 2.135 12.324 1.00 1.00 C ATOM 1335 C ALA A 84 -16.817 2.870 11.085 1.00 1.00 C ATOM 1336 O ALA A 84 -17.885 2.554 10.556 1.00 1.00 O ATOM 1337 CB ALA A 84 -16.695 2.896 13.585 1.00 1.00 C ATOM 0 H ALA A 84 -14.366 2.429 13.036 1.00 1.00 H new ATOM 0 HA ALA A 84 -16.782 1.152 12.334 1.00 1.00 H new ATOM 0 HB1 ALA A 84 -17.776 3.034 13.613 1.00 1.00 H new ATOM 0 HB2 ALA A 84 -16.379 2.330 14.461 1.00 1.00 H new ATOM 0 HB3 ALA A 84 -16.205 3.870 13.585 1.00 1.00 H new ATOM 1343 N TYR A 85 -16.030 3.838 10.614 1.00 1.00 N ATOM 1344 CA TYR A 85 -16.395 4.615 9.428 1.00 1.00 C ATOM 1345 C TYR A 85 -16.551 3.688 8.227 1.00 1.00 C ATOM 1346 O TYR A 85 -17.532 3.766 7.482 1.00 1.00 O ATOM 1347 CB TYR A 85 -15.344 5.687 9.135 1.00 1.00 C ATOM 1348 CG TYR A 85 -15.619 7.037 9.778 1.00 1.00 C ATOM 1349 CD1 TYR A 85 -16.782 7.748 9.507 1.00 1.00 C ATOM 1350 CD2 TYR A 85 -14.690 7.604 10.641 1.00 1.00 C ATOM 1351 CE1 TYR A 85 -17.012 8.986 10.078 1.00 1.00 C ATOM 1352 CE2 TYR A 85 -14.912 8.841 11.216 1.00 1.00 C ATOM 1353 CZ TYR A 85 -16.074 9.527 10.932 1.00 1.00 C ATOM 1354 OH TYR A 85 -16.302 10.768 11.497 1.00 1.00 O ATOM 0 H TYR A 85 -15.139 4.102 11.034 1.00 1.00 H new ATOM 0 HA TYR A 85 -17.345 5.113 9.620 1.00 1.00 H new ATOM 0 HB2 TYR A 85 -14.373 5.328 9.476 1.00 1.00 H new ATOM 0 HB3 TYR A 85 -15.273 5.821 8.056 1.00 1.00 H new ATOM 0 HD1 TYR A 85 -17.519 7.326 8.839 1.00 1.00 H new ATOM 0 HD2 TYR A 85 -13.779 7.069 10.866 1.00 1.00 H new ATOM 0 HE1 TYR A 85 -17.921 9.526 9.857 1.00 1.00 H new ATOM 0 HE2 TYR A 85 -14.179 9.268 11.884 1.00 1.00 H new ATOM 0 HH TYR A 85 -15.548 11.008 12.075 1.00 1.00 H new ATOM 1364 N ALA A 86 -15.581 2.794 8.046 1.00 1.00 N ATOM 1365 CA ALA A 86 -15.626 1.851 6.941 1.00 1.00 C ATOM 1366 C ALA A 86 -16.842 0.947 7.091 1.00 1.00 C ATOM 1367 O ALA A 86 -17.509 0.614 6.104 1.00 1.00 O ATOM 1368 CB ALA A 86 -14.351 1.035 6.909 1.00 1.00 C ATOM 0 H ALA A 86 -14.762 2.706 8.648 1.00 1.00 H new ATOM 0 HA ALA A 86 -15.710 2.395 6.000 1.00 1.00 H new ATOM 0 HB1 ALA A 86 -14.391 0.330 6.079 1.00 1.00 H new ATOM 0 HB2 ALA A 86 -13.497 1.700 6.780 1.00 1.00 H new ATOM 0 HB3 ALA A 86 -14.246 0.487 7.845 1.00 1.00 H new ATOM 1374 N LYS A 87 -17.131 0.577 8.338 1.00 1.00 N ATOM 1375 CA LYS A 87 -18.274 -0.280 8.645 1.00 1.00 C ATOM 1376 C LYS A 87 -19.576 0.426 8.270 1.00 1.00 C ATOM 1377 O LYS A 87 -20.527 -0.188 7.794 1.00 1.00 O ATOM 1378 CB LYS A 87 -18.281 -0.636 10.133 1.00 1.00 C ATOM 1379 CG LYS A 87 -19.422 -1.539 10.547 1.00 1.00 C ATOM 1380 CD LYS A 87 -20.204 -0.963 11.712 1.00 1.00 C ATOM 1381 CE LYS A 87 -19.570 -1.309 13.046 1.00 1.00 C ATOM 1382 NZ LYS A 87 -20.568 -1.752 14.051 1.00 1.00 N ATOM 0 H LYS A 87 -16.587 0.859 9.154 1.00 1.00 H new ATOM 0 HA LYS A 87 -18.190 -1.198 8.063 1.00 1.00 H new ATOM 0 HB2 LYS A 87 -17.338 -1.122 10.384 1.00 1.00 H new ATOM 0 HB3 LYS A 87 -18.330 0.284 10.715 1.00 1.00 H new ATOM 0 HG2 LYS A 87 -20.091 -1.690 9.700 1.00 1.00 H new ATOM 0 HG3 LYS A 87 -19.029 -2.518 10.822 1.00 1.00 H new ATOM 0 HD2 LYS A 87 -20.264 0.120 11.609 1.00 1.00 H new ATOM 0 HD3 LYS A 87 -21.226 -1.342 11.686 1.00 1.00 H new ATOM 0 HE2 LYS A 87 -18.831 -2.097 12.900 1.00 1.00 H new ATOM 0 HE3 LYS A 87 -19.036 -0.439 13.428 1.00 1.00 H new ATOM 0 HZ1 LYS A 87 -20.085 -1.976 14.944 1.00 1.00 H new ATOM 0 HZ2 LYS A 87 -21.259 -0.992 14.213 1.00 1.00 H new ATOM 0 HZ3 LYS A 87 -21.060 -2.599 13.701 1.00 1.00 H new ATOM 1396 N GLN A 88 -19.593 1.740 8.492 1.00 1.00 N ATOM 1397 CA GLN A 88 -20.760 2.550 8.185 1.00 1.00 C ATOM 1398 C GLN A 88 -21.044 2.547 6.690 1.00 1.00 C ATOM 1399 O GLN A 88 -22.208 2.516 6.265 1.00 1.00 O ATOM 1400 CB GLN A 88 -20.546 3.989 8.665 1.00 1.00 C ATOM 1401 CG GLN A 88 -20.674 4.141 10.174 1.00 1.00 C ATOM 1402 CD GLN A 88 -22.063 3.775 10.675 1.00 1.00 C ATOM 1403 OE1 GLN A 88 -22.984 4.590 10.640 1.00 1.00 O ATOM 1404 NE2 GLN A 88 -22.214 2.545 11.151 1.00 1.00 N ATOM 0 H GLN A 88 -18.809 2.262 8.884 1.00 1.00 H new ATOM 0 HA GLN A 88 -21.617 2.119 8.704 1.00 1.00 H new ATOM 0 HB2 GLN A 88 -19.557 4.326 8.355 1.00 1.00 H new ATOM 0 HB3 GLN A 88 -21.272 4.640 8.178 1.00 1.00 H new ATOM 0 HG2 GLN A 88 -19.935 3.508 10.665 1.00 1.00 H new ATOM 0 HG3 GLN A 88 -20.449 5.170 10.454 1.00 1.00 H new ATOM 0 HE21 GLN A 88 -21.423 1.901 11.161 1.00 1.00 H new ATOM 0 HE22 GLN A 88 -23.121 2.244 11.507 1.00 1.00 H new ATOM 1413 N HIS A 89 -19.991 2.600 5.886 1.00 1.00 N ATOM 1414 CA HIS A 89 -20.155 2.604 4.430 1.00 1.00 C ATOM 1415 C HIS A 89 -19.515 1.378 3.783 1.00 1.00 C ATOM 1416 O HIS A 89 -18.417 1.455 3.227 1.00 1.00 O ATOM 1417 CB HIS A 89 -19.562 3.890 3.846 1.00 1.00 C ATOM 1418 CG HIS A 89 -18.990 4.819 4.867 1.00 1.00 C ATOM 1419 ND1 HIS A 89 -19.548 5.400 5.954 1.00 1.00 N flip ATOM 1420 CD2 HIS A 89 -17.686 5.265 4.822 1.00 1.00 C flip ATOM 1421 CE1 HIS A 89 -18.580 6.178 6.541 1.00 1.00 C flip ATOM 1422 NE2 HIS A 89 -17.467 6.079 5.839 1.00 1.00 N flip ATOM 0 H HIS A 89 -19.024 2.640 6.207 1.00 1.00 H new ATOM 0 HA HIS A 89 -21.222 2.565 4.211 1.00 1.00 H new ATOM 0 HB2 HIS A 89 -18.781 3.626 3.133 1.00 1.00 H new ATOM 0 HB3 HIS A 89 -20.338 4.414 3.288 1.00 1.00 H new ATOM 0 HD2 HIS A 89 -16.958 4.992 4.073 1.00 1.00 H new ATOM 0 HE1 HIS A 89 -18.709 6.774 7.432 1.00 1.00 H new ATOM 0 HE2 HIS A 89 -16.587 6.551 6.046 1.00 1.00 H new ATOM 1431 N PRO A 90 -20.215 0.230 3.823 1.00 1.00 N ATOM 1432 CA PRO A 90 -19.732 -1.007 3.211 1.00 1.00 C ATOM 1433 C PRO A 90 -19.515 -0.852 1.703 1.00 1.00 C ATOM 1434 O PRO A 90 -18.739 -1.600 1.096 1.00 1.00 O ATOM 1435 CB PRO A 90 -20.865 -2.005 3.469 1.00 1.00 C ATOM 1436 CG PRO A 90 -21.662 -1.415 4.576 1.00 1.00 C ATOM 1437 CD PRO A 90 -21.541 0.072 4.437 1.00 1.00 C ATOM 0 HA PRO A 90 -18.770 -1.313 3.623 1.00 1.00 H new ATOM 0 HB2 PRO A 90 -21.475 -2.147 2.577 1.00 1.00 H new ATOM 0 HB3 PRO A 90 -20.472 -2.984 3.745 1.00 1.00 H new ATOM 0 HG2 PRO A 90 -22.704 -1.728 4.514 1.00 1.00 H new ATOM 0 HG3 PRO A 90 -21.287 -1.747 5.544 1.00 1.00 H new ATOM 0 HD2 PRO A 90 -22.330 0.486 3.809 1.00 1.00 H new ATOM 0 HD3 PRO A 90 -21.604 0.576 5.402 1.00 1.00 H new ATOM 1445 N ASP A 91 -20.223 0.103 1.103 1.00 1.00 N ATOM 1446 CA ASP A 91 -20.142 0.331 -0.329 1.00 1.00 C ATOM 1447 C ASP A 91 -18.758 0.800 -0.753 1.00 1.00 C ATOM 1448 O ASP A 91 -18.307 0.462 -1.841 1.00 1.00 O ATOM 1449 CB ASP A 91 -21.202 1.354 -0.735 1.00 1.00 C ATOM 1450 CG ASP A 91 -22.606 0.765 -0.786 1.00 1.00 C ATOM 1451 OD1 ASP A 91 -23.158 0.427 0.282 1.00 1.00 O ATOM 1452 OD2 ASP A 91 -23.141 0.634 -1.906 1.00 1.00 O ATOM 0 H ASP A 91 -20.860 0.731 1.593 1.00 1.00 H new ATOM 0 HA ASP A 91 -20.327 -0.615 -0.838 1.00 1.00 H new ATOM 0 HB2 ASP A 91 -21.187 2.184 -0.029 1.00 1.00 H new ATOM 0 HB3 ASP A 91 -20.949 1.763 -1.713 1.00 1.00 H new ATOM 1457 N GLN A 92 -18.087 1.598 0.098 1.00 1.00 N ATOM 1458 CA GLN A 92 -16.756 2.108 -0.224 1.00 1.00 C ATOM 1459 C GLN A 92 -15.674 1.364 0.557 1.00 1.00 C ATOM 1460 O GLN A 92 -15.705 1.280 1.784 1.00 1.00 O ATOM 1461 CB GLN A 92 -16.681 3.613 0.067 1.00 1.00 C ATOM 1462 CG GLN A 92 -16.209 4.436 -1.119 1.00 1.00 C ATOM 1463 CD GLN A 92 -17.295 4.661 -2.162 1.00 1.00 C ATOM 1464 OE1 GLN A 92 -17.314 3.996 -3.197 1.00 1.00 O ATOM 1465 NE2 GLN A 92 -18.190 5.602 -1.900 1.00 1.00 N ATOM 0 H GLN A 92 -18.447 1.897 1.004 1.00 1.00 H new ATOM 0 HA GLN A 92 -16.579 1.941 -1.286 1.00 1.00 H new ATOM 0 HB2 GLN A 92 -17.666 3.965 0.375 1.00 1.00 H new ATOM 0 HB3 GLN A 92 -16.006 3.780 0.907 1.00 1.00 H new ATOM 0 HG2 GLN A 92 -15.850 5.402 -0.763 1.00 1.00 H new ATOM 0 HG3 GLN A 92 -15.362 3.934 -1.588 1.00 1.00 H new ATOM 0 HE21 GLN A 92 -18.136 6.129 -1.028 1.00 1.00 H new ATOM 0 HE22 GLN A 92 -18.933 5.799 -2.570 1.00 1.00 H new ATOM 1474 N GLU A 93 -14.711 0.811 -0.188 1.00 1.00 N ATOM 1475 CA GLU A 93 -13.603 0.069 0.395 1.00 1.00 C ATOM 1476 C GLU A 93 -12.612 0.995 1.087 1.00 1.00 C ATOM 1477 O GLU A 93 -12.392 2.128 0.648 1.00 1.00 O ATOM 1478 CB GLU A 93 -12.892 -0.754 -0.665 1.00 1.00 C ATOM 1479 CG GLU A 93 -12.756 -2.224 -0.300 1.00 1.00 C ATOM 1480 CD GLU A 93 -11.828 -2.962 -1.239 1.00 1.00 C ATOM 1481 OE1 GLU A 93 -11.188 -2.303 -2.085 1.00 1.00 O ATOM 1482 OE2 GLU A 93 -11.757 -4.206 -1.144 1.00 1.00 O ATOM 0 H GLU A 93 -14.683 0.868 -1.206 1.00 1.00 H new ATOM 0 HA GLU A 93 -14.020 -0.602 1.146 1.00 1.00 H new ATOM 0 HB2 GLU A 93 -13.437 -0.670 -1.605 1.00 1.00 H new ATOM 0 HB3 GLU A 93 -11.899 -0.336 -0.833 1.00 1.00 H new ATOM 0 HG2 GLU A 93 -12.382 -2.310 0.720 1.00 1.00 H new ATOM 0 HG3 GLU A 93 -13.739 -2.694 -0.320 1.00 1.00 H new ATOM 1489 N LEU A 94 -12.007 0.501 2.157 1.00 1.00 N ATOM 1490 CA LEU A 94 -11.032 1.289 2.893 1.00 1.00 C ATOM 1491 C LEU A 94 -9.623 0.780 2.599 1.00 1.00 C ATOM 1492 O LEU A 94 -9.331 -0.398 2.755 1.00 1.00 O ATOM 1493 CB LEU A 94 -11.322 1.221 4.392 1.00 1.00 C ATOM 1494 CG LEU A 94 -10.688 2.335 5.238 1.00 1.00 C ATOM 1495 CD1 LEU A 94 -11.496 3.614 5.124 1.00 1.00 C ATOM 1496 CD2 LEU A 94 -10.584 1.897 6.693 1.00 1.00 C ATOM 0 H LEU A 94 -12.172 -0.433 2.532 1.00 1.00 H new ATOM 0 HA LEU A 94 -11.103 2.329 2.574 1.00 1.00 H new ATOM 0 HB2 LEU A 94 -12.402 1.248 4.537 1.00 1.00 H new ATOM 0 HB3 LEU A 94 -10.974 0.259 4.769 1.00 1.00 H new ATOM 0 HG LEU A 94 -9.684 2.529 4.861 1.00 1.00 H new ATOM 0 HD11 LEU A 94 -11.032 4.393 5.730 1.00 1.00 H new ATOM 0 HD12 LEU A 94 -11.526 3.934 4.082 1.00 1.00 H new ATOM 0 HD13 LEU A 94 -12.511 3.436 5.478 1.00 1.00 H new ATOM 0 HD21 LEU A 94 -10.133 2.696 7.282 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -11.580 1.679 7.079 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -9.965 1.002 6.760 1.00 1.00 H new ATOM 1508 N VAL A 95 -8.760 1.689 2.169 1.00 1.00 N ATOM 1509 CA VAL A 95 -7.383 1.359 1.834 1.00 1.00 C ATOM 1510 C VAL A 95 -6.398 2.200 2.628 1.00 1.00 C ATOM 1511 O VAL A 95 -6.562 3.415 2.712 1.00 1.00 O ATOM 1512 CB VAL A 95 -7.116 1.564 0.342 1.00 1.00 C ATOM 1513 CG1 VAL A 95 -5.966 0.682 -0.110 1.00 1.00 C ATOM 1514 CG2 VAL A 95 -8.381 1.281 -0.469 1.00 1.00 C ATOM 0 H VAL A 95 -8.994 2.674 2.043 1.00 1.00 H new ATOM 0 HA VAL A 95 -7.241 0.309 2.090 1.00 1.00 H new ATOM 0 HB VAL A 95 -6.834 2.603 0.172 1.00 1.00 H new ATOM 0 HG11 VAL A 95 -5.785 0.837 -1.174 1.00 1.00 H new ATOM 0 HG12 VAL A 95 -5.068 0.939 0.452 1.00 1.00 H new ATOM 0 HG13 VAL A 95 -6.218 -0.364 0.067 1.00 1.00 H new ATOM 0 HG21 VAL A 95 -8.175 1.431 -1.529 1.00 1.00 H new ATOM 0 HG22 VAL A 95 -8.697 0.251 -0.303 1.00 1.00 H new ATOM 0 HG23 VAL A 95 -9.174 1.959 -0.154 1.00 1.00 H new ATOM 1524 N ILE A 96 -5.375 1.564 3.209 1.00 1.00 N ATOM 1525 CA ILE A 96 -4.383 2.311 3.988 1.00 1.00 C ATOM 1526 C ILE A 96 -3.035 2.371 3.269 1.00 1.00 C ATOM 1527 O ILE A 96 -2.470 1.342 2.870 1.00 1.00 O ATOM 1528 CB ILE A 96 -4.183 1.697 5.391 1.00 1.00 C ATOM 1529 CG1 ILE A 96 -5.424 1.901 6.259 1.00 1.00 C ATOM 1530 CG2 ILE A 96 -2.945 2.303 6.055 1.00 1.00 C ATOM 1531 CD1 ILE A 96 -5.235 1.439 7.690 1.00 1.00 C ATOM 0 H ILE A 96 -5.214 0.558 3.157 1.00 1.00 H new ATOM 0 HA ILE A 96 -4.773 3.323 4.097 1.00 1.00 H new ATOM 0 HB ILE A 96 -4.030 0.623 5.283 1.00 1.00 H new ATOM 0 HG12 ILE A 96 -5.691 2.958 6.258 1.00 1.00 H new ATOM 0 HG13 ILE A 96 -6.261 1.361 5.817 1.00 1.00 H new ATOM 0 HG21 ILE A 96 -2.811 1.865 7.044 1.00 1.00 H new ATOM 0 HG22 ILE A 96 -2.066 2.096 5.444 1.00 1.00 H new ATOM 0 HG23 ILE A 96 -3.074 3.381 6.151 1.00 1.00 H new ATOM 0 HD11 ILE A 96 -6.153 1.612 8.252 1.00 1.00 H new ATOM 0 HD12 ILE A 96 -4.998 0.375 7.701 1.00 1.00 H new ATOM 0 HD13 ILE A 96 -4.418 1.997 8.148 1.00 1.00 H new ATOM 1543 N ALA A 97 -2.510 3.589 3.117 1.00 1.00 N ATOM 1544 CA ALA A 97 -1.218 3.794 2.451 1.00 1.00 C ATOM 1545 C ALA A 97 -0.131 4.038 3.477 1.00 1.00 C ATOM 1546 O ALA A 97 0.431 5.133 3.559 1.00 1.00 O ATOM 1547 CB ALA A 97 -1.298 4.944 1.475 1.00 1.00 C ATOM 0 H ALA A 97 -2.956 4.446 3.444 1.00 1.00 H new ATOM 0 HA ALA A 97 -0.970 2.892 1.892 1.00 1.00 H new ATOM 0 HB1 ALA A 97 -0.330 5.079 0.992 1.00 1.00 H new ATOM 0 HB2 ALA A 97 -2.054 4.728 0.720 1.00 1.00 H new ATOM 0 HB3 ALA A 97 -1.568 5.856 2.008 1.00 1.00 H new ATOM 1553 N GLY A 98 0.154 3.007 4.254 1.00 1.00 N ATOM 1554 CA GLY A 98 1.167 3.097 5.293 1.00 1.00 C ATOM 1555 C GLY A 98 0.625 3.706 6.572 1.00 1.00 C ATOM 1556 O GLY A 98 -0.538 4.099 6.635 1.00 1.00 O ATOM 0 H GLY A 98 -0.302 2.097 4.185 1.00 1.00 H new ATOM 0 HA2 GLY A 98 1.558 2.102 5.504 1.00 1.00 H new ATOM 0 HA3 GLY A 98 2.002 3.697 4.932 1.00 1.00 H new ATOM 1560 N GLY A 99 1.457 3.777 7.612 1.00 1.00 N ATOM 1561 CA GLY A 99 2.833 3.311 7.531 1.00 1.00 C ATOM 1562 C GLY A 99 2.967 1.836 7.832 1.00 1.00 C ATOM 1563 O GLY A 99 1.980 1.157 8.112 1.00 1.00 O ATOM 0 H GLY A 99 1.196 4.155 8.522 1.00 1.00 H new ATOM 0 HA2 GLY A 99 3.222 3.511 6.533 1.00 1.00 H new ATOM 0 HA3 GLY A 99 3.446 3.878 8.231 1.00 1.00 H new ATOM 1567 N ALA A 100 4.201 1.343 7.773 1.00 1.00 N ATOM 1568 CA ALA A 100 4.486 -0.065 8.036 1.00 1.00 C ATOM 1569 C ALA A 100 4.140 -0.433 9.483 1.00 1.00 C ATOM 1570 O ALA A 100 3.612 -1.515 9.742 1.00 1.00 O ATOM 1571 CB ALA A 100 5.947 -0.370 7.750 1.00 1.00 C ATOM 0 H ALA A 100 5.024 1.901 7.544 1.00 1.00 H new ATOM 0 HA ALA A 100 3.864 -0.667 7.373 1.00 1.00 H new ATOM 0 HB1 ALA A 100 6.145 -1.423 7.950 1.00 1.00 H new ATOM 0 HB2 ALA A 100 6.166 -0.152 6.705 1.00 1.00 H new ATOM 0 HB3 ALA A 100 6.579 0.246 8.389 1.00 1.00 H new ATOM 1577 N GLN A 101 4.406 0.481 10.403 1.00 1.00 N ATOM 1578 CA GLN A 101 4.100 0.255 11.804 1.00 1.00 C ATOM 1579 C GLN A 101 2.597 0.114 11.966 1.00 1.00 C ATOM 1580 O GLN A 101 2.107 -0.720 12.730 1.00 1.00 O ATOM 1581 CB GLN A 101 4.612 1.409 12.660 1.00 1.00 C ATOM 1582 CG GLN A 101 5.999 1.867 12.280 1.00 1.00 C ATOM 1583 CD GLN A 101 6.901 2.029 13.482 1.00 1.00 C ATOM 1584 OE1 GLN A 101 6.464 1.933 14.628 1.00 1.00 O ATOM 1585 NE2 GLN A 101 8.180 2.276 13.222 1.00 1.00 N ATOM 0 H GLN A 101 4.833 1.386 10.203 1.00 1.00 H new ATOM 0 HA GLN A 101 4.594 -0.658 12.135 1.00 1.00 H new ATOM 0 HB2 GLN A 101 3.923 2.249 12.573 1.00 1.00 H new ATOM 0 HB3 GLN A 101 4.612 1.103 13.706 1.00 1.00 H new ATOM 0 HG2 GLN A 101 6.441 1.146 11.592 1.00 1.00 H new ATOM 0 HG3 GLN A 101 5.932 2.816 11.748 1.00 1.00 H new ATOM 0 HE21 GLN A 101 8.499 2.348 12.256 1.00 1.00 H new ATOM 0 HE22 GLN A 101 8.843 2.394 13.988 1.00 1.00 H new ATOM 1594 N ILE A 102 1.884 0.924 11.199 1.00 1.00 N ATOM 1595 CA ILE A 102 0.430 0.907 11.192 1.00 1.00 C ATOM 1596 C ILE A 102 -0.061 -0.433 10.667 1.00 1.00 C ATOM 1597 O ILE A 102 -1.034 -0.988 11.181 1.00 1.00 O ATOM 1598 CB ILE A 102 -0.159 2.038 10.318 1.00 1.00 C ATOM 1599 CG1 ILE A 102 0.459 3.387 10.716 1.00 1.00 C ATOM 1600 CG2 ILE A 102 -1.688 2.070 10.454 1.00 1.00 C ATOM 1601 CD1 ILE A 102 0.482 3.631 12.210 1.00 1.00 C ATOM 0 H ILE A 102 2.296 1.610 10.566 1.00 1.00 H new ATOM 0 HA ILE A 102 0.095 1.063 12.217 1.00 1.00 H new ATOM 0 HB ILE A 102 0.084 1.846 9.273 1.00 1.00 H new ATOM 0 HG12 ILE A 102 1.478 3.436 10.333 1.00 1.00 H new ATOM 0 HG13 ILE A 102 -0.101 4.189 10.235 1.00 1.00 H new ATOM 0 HG21 ILE A 102 -2.092 2.870 9.834 1.00 1.00 H new ATOM 0 HG22 ILE A 102 -2.102 1.115 10.129 1.00 1.00 H new ATOM 0 HG23 ILE A 102 -1.957 2.247 11.495 1.00 1.00 H new ATOM 0 HD11 ILE A 102 0.932 4.603 12.413 1.00 1.00 H new ATOM 0 HD12 ILE A 102 -0.537 3.615 12.597 1.00 1.00 H new ATOM 0 HD13 ILE A 102 1.067 2.851 12.697 1.00 1.00 H new ATOM 1613 N PHE A 103 0.593 -0.928 9.619 1.00 1.00 N ATOM 1614 CA PHE A 103 0.212 -2.197 8.990 1.00 1.00 C ATOM 1615 C PHE A 103 0.273 -3.368 9.971 1.00 1.00 C ATOM 1616 O PHE A 103 -0.650 -4.185 10.036 1.00 1.00 O ATOM 1617 CB PHE A 103 1.151 -2.493 7.815 1.00 1.00 C ATOM 1618 CG PHE A 103 0.924 -1.654 6.583 1.00 1.00 C ATOM 1619 CD1 PHE A 103 -0.342 -1.197 6.258 1.00 1.00 C ATOM 1620 CD2 PHE A 103 1.982 -1.344 5.746 1.00 1.00 C ATOM 1621 CE1 PHE A 103 -0.550 -0.444 5.119 1.00 1.00 C ATOM 1622 CE2 PHE A 103 1.781 -0.590 4.605 1.00 1.00 C ATOM 1623 CZ PHE A 103 0.513 -0.140 4.291 1.00 1.00 C ATOM 0 H PHE A 103 1.393 -0.470 9.183 1.00 1.00 H new ATOM 0 HA PHE A 103 -0.817 -2.091 8.647 1.00 1.00 H new ATOM 0 HB2 PHE A 103 2.179 -2.350 8.148 1.00 1.00 H new ATOM 0 HB3 PHE A 103 1.047 -3.544 7.544 1.00 1.00 H new ATOM 0 HD1 PHE A 103 -1.176 -1.432 6.902 1.00 1.00 H new ATOM 0 HD2 PHE A 103 2.975 -1.695 5.987 1.00 1.00 H new ATOM 0 HE1 PHE A 103 -1.542 -0.093 4.876 1.00 1.00 H new ATOM 0 HE2 PHE A 103 2.614 -0.353 3.960 1.00 1.00 H new ATOM 0 HZ PHE A 103 0.353 0.448 3.400 1.00 1.00 H new ATOM 1633 N THR A 104 1.367 -3.456 10.733 1.00 1.00 N ATOM 1634 CA THR A 104 1.519 -4.553 11.695 1.00 1.00 C ATOM 1635 C THR A 104 0.435 -4.495 12.776 1.00 1.00 C ATOM 1636 O THR A 104 -0.187 -5.506 13.104 1.00 1.00 O ATOM 1637 CB THR A 104 2.900 -4.534 12.374 1.00 1.00 C ATOM 1638 OG1 THR A 104 2.829 -3.852 13.613 1.00 1.00 O ATOM 1639 CG2 THR A 104 3.987 -3.863 11.557 1.00 1.00 C ATOM 0 H THR A 104 2.145 -2.797 10.706 1.00 1.00 H new ATOM 0 HA THR A 104 1.419 -5.477 11.126 1.00 1.00 H new ATOM 0 HB THR A 104 3.166 -5.584 12.495 1.00 1.00 H new ATOM 0 HG1 THR A 104 3.713 -3.848 14.035 1.00 1.00 H new ATOM 0 HG21 THR A 104 4.927 -3.893 12.108 1.00 1.00 H new ATOM 0 HG22 THR A 104 4.105 -4.387 10.609 1.00 1.00 H new ATOM 0 HG23 THR A 104 3.711 -2.826 11.366 1.00 1.00 H new ATOM 1647 N ALA A 105 0.226 -3.299 13.319 1.00 1.00 N ATOM 1648 CA ALA A 105 -0.779 -3.094 14.358 1.00 1.00 C ATOM 1649 C ALA A 105 -2.188 -3.345 13.849 1.00 1.00 C ATOM 1650 O ALA A 105 -3.036 -3.855 14.581 1.00 1.00 O ATOM 1651 CB ALA A 105 -0.671 -1.679 14.904 1.00 1.00 C ATOM 0 H ALA A 105 0.739 -2.457 13.057 1.00 1.00 H new ATOM 0 HA ALA A 105 -0.585 -3.815 15.152 1.00 1.00 H new ATOM 0 HB1 ALA A 105 -1.423 -1.530 15.679 1.00 1.00 H new ATOM 0 HB2 ALA A 105 0.322 -1.527 15.327 1.00 1.00 H new ATOM 0 HB3 ALA A 105 -0.835 -0.964 14.097 1.00 1.00 H new ATOM 1657 N PHE A 106 -2.444 -2.958 12.604 1.00 1.00 N ATOM 1658 CA PHE A 106 -3.775 -3.116 12.013 1.00 1.00 C ATOM 1659 C PHE A 106 -3.854 -4.287 11.026 1.00 1.00 C ATOM 1660 O PHE A 106 -4.822 -4.396 10.281 1.00 1.00 O ATOM 1661 CB PHE A 106 -4.182 -1.824 11.299 1.00 1.00 C ATOM 1662 CG PHE A 106 -4.207 -0.603 12.180 1.00 1.00 C ATOM 1663 CD1 PHE A 106 -4.126 -0.713 13.557 1.00 1.00 C ATOM 1664 CD2 PHE A 106 -4.305 0.660 11.616 1.00 1.00 C ATOM 1665 CE1 PHE A 106 -4.144 0.413 14.359 1.00 1.00 C ATOM 1666 CE2 PHE A 106 -4.325 1.789 12.413 1.00 1.00 C ATOM 1667 CZ PHE A 106 -4.243 1.665 13.786 1.00 1.00 C ATOM 0 H PHE A 106 -1.754 -2.534 11.984 1.00 1.00 H new ATOM 0 HA PHE A 106 -4.460 -3.334 12.832 1.00 1.00 H new ATOM 0 HB2 PHE A 106 -3.492 -1.647 10.474 1.00 1.00 H new ATOM 0 HB3 PHE A 106 -5.171 -1.962 10.863 1.00 1.00 H new ATOM 0 HD1 PHE A 106 -4.048 -1.690 14.011 1.00 1.00 H new ATOM 0 HD2 PHE A 106 -4.366 0.763 10.543 1.00 1.00 H new ATOM 0 HE1 PHE A 106 -4.081 0.313 15.433 1.00 1.00 H new ATOM 0 HE2 PHE A 106 -4.405 2.767 11.962 1.00 1.00 H new ATOM 0 HZ PHE A 106 -4.256 2.546 14.410 1.00 1.00 H new ATOM 1677 N LYS A 107 -2.841 -5.163 11.014 1.00 1.00 N ATOM 1678 CA LYS A 107 -2.826 -6.307 10.100 1.00 1.00 C ATOM 1679 C LYS A 107 -3.986 -7.260 10.376 1.00 1.00 C ATOM 1680 O LYS A 107 -4.613 -7.773 9.447 1.00 1.00 O ATOM 1681 CB LYS A 107 -1.485 -7.058 10.208 1.00 1.00 C ATOM 1682 CG LYS A 107 -1.181 -7.569 11.612 1.00 1.00 C ATOM 1683 CD LYS A 107 -1.616 -9.013 11.788 1.00 1.00 C ATOM 1684 CE LYS A 107 -0.570 -9.999 11.291 1.00 1.00 C ATOM 1685 NZ LYS A 107 -0.019 -10.833 12.394 1.00 1.00 N ATOM 0 H LYS A 107 -2.026 -5.100 11.624 1.00 1.00 H new ATOM 0 HA LYS A 107 -2.942 -5.924 9.086 1.00 1.00 H new ATOM 0 HB2 LYS A 107 -1.494 -7.902 9.518 1.00 1.00 H new ATOM 0 HB3 LYS A 107 -0.680 -6.395 9.890 1.00 1.00 H new ATOM 0 HG2 LYS A 107 -0.112 -7.484 11.807 1.00 1.00 H new ATOM 0 HG3 LYS A 107 -1.689 -6.943 12.346 1.00 1.00 H new ATOM 0 HD2 LYS A 107 -1.818 -9.203 12.842 1.00 1.00 H new ATOM 0 HD3 LYS A 107 -2.550 -9.176 11.250 1.00 1.00 H new ATOM 0 HE2 LYS A 107 -1.013 -10.646 10.534 1.00 1.00 H new ATOM 0 HE3 LYS A 107 0.242 -9.454 10.809 1.00 1.00 H new ATOM 0 HZ1 LYS A 107 0.995 -10.996 12.233 1.00 1.00 H new ATOM 0 HZ2 LYS A 107 -0.151 -10.341 13.301 1.00 1.00 H new ATOM 0 HZ3 LYS A 107 -0.516 -11.746 12.421 1.00 1.00 H new ATOM 1699 N ASP A 108 -4.246 -7.495 11.654 1.00 1.00 N ATOM 1700 CA ASP A 108 -5.317 -8.389 12.091 1.00 1.00 C ATOM 1701 C ASP A 108 -6.699 -7.850 11.695 1.00 1.00 C ATOM 1702 O ASP A 108 -7.632 -8.617 11.446 1.00 1.00 O ATOM 1703 CB ASP A 108 -5.234 -8.596 13.599 1.00 1.00 C ATOM 1704 CG ASP A 108 -5.190 -10.063 13.992 1.00 1.00 C ATOM 1705 OD1 ASP A 108 -4.310 -10.787 13.479 1.00 1.00 O ATOM 1706 OD2 ASP A 108 -6.025 -10.483 14.820 1.00 1.00 O ATOM 0 H ASP A 108 -3.722 -7.073 12.420 1.00 1.00 H new ATOM 0 HA ASP A 108 -5.186 -9.348 11.590 1.00 1.00 H new ATOM 0 HB2 ASP A 108 -4.344 -8.096 13.981 1.00 1.00 H new ATOM 0 HB3 ASP A 108 -6.094 -8.123 14.074 1.00 1.00 H new ATOM 1711 N ASP A 109 -6.838 -6.529 11.693 1.00 1.00 N ATOM 1712 CA ASP A 109 -8.117 -5.886 11.391 1.00 1.00 C ATOM 1713 C ASP A 109 -8.457 -5.865 9.890 1.00 1.00 C ATOM 1714 O ASP A 109 -9.559 -5.445 9.518 1.00 1.00 O ATOM 1715 CB ASP A 109 -8.112 -4.451 11.930 1.00 1.00 C ATOM 1716 CG ASP A 109 -8.352 -4.401 13.429 1.00 1.00 C ATOM 1717 OD1 ASP A 109 -8.082 -5.417 14.103 1.00 1.00 O ATOM 1718 OD2 ASP A 109 -8.795 -3.345 13.929 1.00 1.00 O ATOM 0 H ASP A 109 -6.080 -5.878 11.898 1.00 1.00 H new ATOM 0 HA ASP A 109 -8.886 -6.484 11.880 1.00 1.00 H new ATOM 0 HB2 ASP A 109 -7.155 -3.982 11.701 1.00 1.00 H new ATOM 0 HB3 ASP A 109 -8.881 -3.871 11.421 1.00 1.00 H new ATOM 1723 N VAL A 110 -7.547 -6.304 9.033 1.00 1.00 N ATOM 1724 CA VAL A 110 -7.826 -6.298 7.600 1.00 1.00 C ATOM 1725 C VAL A 110 -7.860 -7.717 7.033 1.00 1.00 C ATOM 1726 O VAL A 110 -6.940 -8.505 7.229 1.00 1.00 O ATOM 1727 CB VAL A 110 -6.763 -5.501 6.817 1.00 1.00 C ATOM 1728 CG1 VAL A 110 -7.408 -4.325 6.105 1.00 1.00 C ATOM 1729 CG2 VAL A 110 -5.660 -5.030 7.740 1.00 1.00 C ATOM 0 H VAL A 110 -6.628 -6.662 9.294 1.00 1.00 H new ATOM 0 HA VAL A 110 -8.801 -5.826 7.483 1.00 1.00 H new ATOM 0 HB VAL A 110 -6.319 -6.157 6.069 1.00 1.00 H new ATOM 0 HG11 VAL A 110 -6.647 -3.770 5.556 1.00 1.00 H new ATOM 0 HG12 VAL A 110 -8.163 -4.691 5.409 1.00 1.00 H new ATOM 0 HG13 VAL A 110 -7.877 -3.669 6.838 1.00 1.00 H new ATOM 0 HG21 VAL A 110 -4.921 -4.470 7.167 1.00 1.00 H new ATOM 0 HG22 VAL A 110 -6.082 -4.388 8.513 1.00 1.00 H new ATOM 0 HG23 VAL A 110 -5.182 -5.892 8.205 1.00 1.00 H new ATOM 1739 N ASP A 111 -8.953 -8.013 6.332 1.00 1.00 N ATOM 1740 CA ASP A 111 -9.147 -9.324 5.722 1.00 1.00 C ATOM 1741 C ASP A 111 -8.136 -9.596 4.608 1.00 1.00 C ATOM 1742 O ASP A 111 -7.711 -10.730 4.401 1.00 1.00 O ATOM 1743 CB ASP A 111 -10.567 -9.424 5.163 1.00 1.00 C ATOM 1744 CG ASP A 111 -11.613 -9.164 6.225 1.00 1.00 C ATOM 1745 OD1 ASP A 111 -11.634 -9.903 7.231 1.00 1.00 O ATOM 1746 OD2 ASP A 111 -12.414 -8.221 6.050 1.00 1.00 O ATOM 0 H ASP A 111 -9.719 -7.359 6.173 1.00 1.00 H new ATOM 0 HA ASP A 111 -8.993 -10.075 6.497 1.00 1.00 H new ATOM 0 HB2 ASP A 111 -10.688 -8.707 4.351 1.00 1.00 H new ATOM 0 HB3 ASP A 111 -10.720 -10.416 4.738 1.00 1.00 H new ATOM 1751 N THR A 112 -7.778 -8.555 3.869 1.00 1.00 N ATOM 1752 CA THR A 112 -6.852 -8.703 2.755 1.00 1.00 C ATOM 1753 C THR A 112 -5.586 -7.850 2.924 1.00 1.00 C ATOM 1754 O THR A 112 -5.665 -6.628 3.138 1.00 1.00 O ATOM 1755 CB THR A 112 -7.546 -8.321 1.451 1.00 1.00 C ATOM 1756 OG1 THR A 112 -8.718 -9.091 1.261 1.00 1.00 O ATOM 1757 CG2 THR A 112 -6.680 -8.504 0.223 1.00 1.00 C ATOM 0 H THR A 112 -8.113 -7.603 4.020 1.00 1.00 H new ATOM 0 HA THR A 112 -6.545 -9.749 2.731 1.00 1.00 H new ATOM 0 HB THR A 112 -7.776 -7.261 1.556 1.00 1.00 H new ATOM 0 HG1 THR A 112 -8.654 -9.580 0.414 1.00 1.00 H new ATOM 0 HG21 THR A 112 -7.241 -8.212 -0.665 1.00 1.00 H new ATOM 0 HG22 THR A 112 -5.789 -7.882 0.310 1.00 1.00 H new ATOM 0 HG23 THR A 112 -6.385 -9.550 0.138 1.00 1.00 H new ATOM 1765 N LEU A 113 -4.430 -8.491 2.788 1.00 1.00 N ATOM 1766 CA LEU A 113 -3.146 -7.817 2.887 1.00 1.00 C ATOM 1767 C LEU A 113 -2.443 -7.832 1.530 1.00 1.00 C ATOM 1768 O LEU A 113 -2.304 -8.894 0.928 1.00 1.00 O ATOM 1769 CB LEU A 113 -2.275 -8.497 3.938 1.00 1.00 C ATOM 1770 CG LEU A 113 -2.361 -7.884 5.343 1.00 1.00 C ATOM 1771 CD1 LEU A 113 -3.449 -8.552 6.161 1.00 1.00 C ATOM 1772 CD2 LEU A 113 -1.029 -7.987 6.062 1.00 1.00 C ATOM 0 H LEU A 113 -4.360 -9.492 2.606 1.00 1.00 H new ATOM 0 HA LEU A 113 -3.312 -6.782 3.187 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -2.557 -9.548 3.998 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -1.237 -8.464 3.606 1.00 1.00 H new ATOM 0 HG LEU A 113 -2.612 -6.830 5.229 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -3.489 -8.099 7.152 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -4.410 -8.422 5.663 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -3.231 -9.616 6.257 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -1.116 -7.546 7.055 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -0.746 -9.035 6.155 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -0.267 -7.454 5.494 1.00 1.00 H new ATOM 1784 N LEU A 114 -2.013 -6.670 1.052 1.00 1.00 N ATOM 1785 CA LEU A 114 -1.333 -6.616 -0.243 1.00 1.00 C ATOM 1786 C LEU A 114 0.167 -6.430 -0.076 1.00 1.00 C ATOM 1787 O LEU A 114 0.617 -5.488 0.575 1.00 1.00 O ATOM 1788 CB LEU A 114 -1.904 -5.477 -1.093 1.00 1.00 C ATOM 1789 CG LEU A 114 -2.307 -5.882 -2.513 1.00 1.00 C ATOM 1790 CD1 LEU A 114 -3.772 -6.299 -2.542 1.00 1.00 C ATOM 1791 CD2 LEU A 114 -2.066 -4.740 -3.480 1.00 1.00 C ATOM 0 H LEU A 114 -2.117 -5.772 1.525 1.00 1.00 H new ATOM 0 HA LEU A 114 -1.504 -7.567 -0.747 1.00 1.00 H new ATOM 0 HB2 LEU A 114 -2.776 -5.065 -0.586 1.00 1.00 H new ATOM 0 HB3 LEU A 114 -1.163 -4.680 -1.153 1.00 1.00 H new ATOM 0 HG LEU A 114 -1.693 -6.729 -2.821 1.00 1.00 H new ATOM 0 HD11 LEU A 114 -4.049 -6.585 -3.557 1.00 1.00 H new ATOM 0 HD12 LEU A 114 -3.923 -7.146 -1.872 1.00 1.00 H new ATOM 0 HD13 LEU A 114 -4.394 -5.465 -2.218 1.00 1.00 H new ATOM 0 HD21 LEU A 114 -2.358 -5.046 -4.485 1.00 1.00 H new ATOM 0 HD22 LEU A 114 -2.658 -3.876 -3.177 1.00 1.00 H new ATOM 0 HD23 LEU A 114 -1.009 -4.476 -3.474 1.00 1.00 H new ATOM 1803 N VAL A 115 0.936 -7.334 -0.687 1.00 1.00 N ATOM 1804 CA VAL A 115 2.389 -7.282 -0.609 1.00 1.00 C ATOM 1805 C VAL A 115 3.026 -7.204 -1.980 1.00 1.00 C ATOM 1806 O VAL A 115 2.707 -7.977 -2.870 1.00 1.00 O ATOM 1807 CB VAL A 115 2.967 -8.522 0.119 1.00 1.00 C ATOM 1808 CG1 VAL A 115 2.188 -9.770 -0.263 1.00 1.00 C ATOM 1809 CG2 VAL A 115 4.438 -8.675 -0.217 1.00 1.00 C ATOM 0 H VAL A 115 0.572 -8.110 -1.240 1.00 1.00 H new ATOM 0 HA VAL A 115 2.624 -6.379 -0.045 1.00 1.00 H new ATOM 0 HB VAL A 115 2.871 -8.383 1.196 1.00 1.00 H new ATOM 0 HG11 VAL A 115 2.606 -10.633 0.256 1.00 1.00 H new ATOM 0 HG12 VAL A 115 1.143 -9.647 0.020 1.00 1.00 H new ATOM 0 HG13 VAL A 115 2.256 -9.926 -1.340 1.00 1.00 H new ATOM 0 HG21 VAL A 115 4.840 -9.548 0.297 1.00 1.00 H new ATOM 0 HG22 VAL A 115 4.554 -8.802 -1.293 1.00 1.00 H new ATOM 0 HG23 VAL A 115 4.979 -7.785 0.103 1.00 1.00 H new ATOM 1819 N THR A 116 3.958 -6.262 -2.136 1.00 1.00 N ATOM 1820 CA THR A 116 4.659 -6.082 -3.404 1.00 1.00 C ATOM 1821 C THR A 116 6.160 -6.330 -3.235 1.00 1.00 C ATOM 1822 O THR A 116 6.793 -5.792 -2.329 1.00 1.00 O ATOM 1823 CB THR A 116 4.417 -4.669 -3.935 1.00 1.00 C ATOM 1824 OG1 THR A 116 3.379 -4.647 -4.899 1.00 1.00 O ATOM 1825 CG2 THR A 116 5.645 -4.071 -4.588 1.00 1.00 C ATOM 0 H THR A 116 4.243 -5.615 -1.401 1.00 1.00 H new ATOM 0 HA THR A 116 4.271 -6.806 -4.120 1.00 1.00 H new ATOM 0 HB THR A 116 4.146 -4.080 -3.059 1.00 1.00 H new ATOM 0 HG1 THR A 116 2.562 -5.021 -4.508 1.00 1.00 H new ATOM 0 HG21 THR A 116 5.414 -3.068 -4.946 1.00 1.00 H new ATOM 0 HG22 THR A 116 6.455 -4.019 -3.861 1.00 1.00 H new ATOM 0 HG23 THR A 116 5.951 -4.695 -5.428 1.00 1.00 H new ATOM 1833 N ARG A 117 6.715 -7.175 -4.107 1.00 1.00 N ATOM 1834 CA ARG A 117 8.135 -7.500 -4.047 1.00 1.00 C ATOM 1835 C ARG A 117 8.903 -6.829 -5.172 1.00 1.00 C ATOM 1836 O ARG A 117 8.474 -6.847 -6.329 1.00 1.00 O ATOM 1837 CB ARG A 117 8.338 -9.016 -4.125 1.00 1.00 C ATOM 1838 CG ARG A 117 9.570 -9.506 -3.388 1.00 1.00 C ATOM 1839 CD ARG A 117 10.153 -10.744 -4.055 1.00 1.00 C ATOM 1840 NE ARG A 117 9.244 -11.892 -3.990 1.00 1.00 N ATOM 1841 CZ ARG A 117 9.423 -13.030 -4.655 1.00 1.00 C ATOM 1842 NH1 ARG A 117 10.490 -13.195 -5.428 1.00 1.00 N ATOM 1843 NH2 ARG A 117 8.532 -14.007 -4.548 1.00 1.00 N ATOM 0 H ARG A 117 6.204 -7.642 -4.856 1.00 1.00 H new ATOM 0 HA ARG A 117 8.518 -7.129 -3.096 1.00 1.00 H new ATOM 0 HB2 ARG A 117 7.459 -9.513 -3.715 1.00 1.00 H new ATOM 0 HB3 ARG A 117 8.411 -9.310 -5.172 1.00 1.00 H new ATOM 0 HG2 ARG A 117 10.320 -8.716 -3.363 1.00 1.00 H new ATOM 0 HG3 ARG A 117 9.312 -9.734 -2.354 1.00 1.00 H new ATOM 0 HD2 ARG A 117 10.378 -10.520 -5.098 1.00 1.00 H new ATOM 0 HD3 ARG A 117 11.096 -11.003 -3.574 1.00 1.00 H new ATOM 0 HE ARG A 117 8.419 -11.813 -3.395 1.00 1.00 H new ATOM 0 HH11 ARG A 117 11.178 -12.447 -5.514 1.00 1.00 H new ATOM 0 HH12 ARG A 117 10.622 -14.070 -5.935 1.00 1.00 H new ATOM 0 HH21 ARG A 117 7.710 -13.885 -3.956 1.00 1.00 H new ATOM 0 HH22 ARG A 117 8.669 -14.880 -5.058 1.00 1.00 H new ATOM 1857 N LEU A 118 10.043 -6.232 -4.829 1.00 1.00 N ATOM 1858 CA LEU A 118 10.870 -5.546 -5.808 1.00 1.00 C ATOM 1859 C LEU A 118 12.163 -6.307 -6.084 1.00 1.00 C ATOM 1860 O LEU A 118 12.902 -6.658 -5.167 1.00 1.00 O ATOM 1861 CB LEU A 118 11.189 -4.125 -5.331 1.00 1.00 C ATOM 1862 CG LEU A 118 9.993 -3.191 -5.205 1.00 1.00 C ATOM 1863 CD1 LEU A 118 10.246 -2.135 -4.126 1.00 1.00 C ATOM 1864 CD2 LEU A 118 9.698 -2.542 -6.547 1.00 1.00 C ATOM 0 H LEU A 118 10.412 -6.212 -3.878 1.00 1.00 H new ATOM 0 HA LEU A 118 10.306 -5.496 -6.739 1.00 1.00 H new ATOM 0 HB2 LEU A 118 11.682 -4.188 -4.361 1.00 1.00 H new ATOM 0 HB3 LEU A 118 11.904 -3.680 -6.023 1.00 1.00 H new ATOM 0 HG LEU A 118 9.121 -3.771 -4.904 1.00 1.00 H new ATOM 0 HD11 LEU A 118 9.380 -1.477 -4.051 1.00 1.00 H new ATOM 0 HD12 LEU A 118 10.412 -2.627 -3.168 1.00 1.00 H new ATOM 0 HD13 LEU A 118 11.126 -1.548 -4.390 1.00 1.00 H new ATOM 0 HD21 LEU A 118 8.841 -1.875 -6.448 1.00 1.00 H new ATOM 0 HD22 LEU A 118 10.567 -1.970 -6.874 1.00 1.00 H new ATOM 0 HD23 LEU A 118 9.474 -3.314 -7.283 1.00 1.00 H new ATOM 1876 N ALA A 119 12.445 -6.543 -7.359 1.00 1.00 N ATOM 1877 CA ALA A 119 13.662 -7.250 -7.756 1.00 1.00 C ATOM 1878 C ALA A 119 14.894 -6.447 -7.355 1.00 1.00 C ATOM 1879 O ALA A 119 15.905 -6.997 -6.939 1.00 1.00 O ATOM 1880 CB ALA A 119 13.660 -7.524 -9.244 1.00 1.00 C ATOM 0 H ALA A 119 11.850 -6.257 -8.137 1.00 1.00 H new ATOM 0 HA ALA A 119 13.691 -8.208 -7.237 1.00 1.00 H new ATOM 0 HB1 ALA A 119 14.574 -8.051 -9.518 1.00 1.00 H new ATOM 0 HB2 ALA A 119 12.797 -8.138 -9.500 1.00 1.00 H new ATOM 0 HB3 ALA A 119 13.608 -6.581 -9.788 1.00 1.00 H new ATOM 1886 N GLY A 120 14.779 -5.122 -7.484 1.00 1.00 N ATOM 1887 CA GLY A 120 15.874 -4.256 -7.123 1.00 1.00 C ATOM 1888 C GLY A 120 16.106 -4.238 -5.622 1.00 1.00 C ATOM 1889 O GLY A 120 15.286 -4.771 -4.852 1.00 1.00 O ATOM 0 H GLY A 120 13.948 -4.644 -7.831 1.00 1.00 H new ATOM 0 HA2 GLY A 120 16.782 -4.588 -7.627 1.00 1.00 H new ATOM 0 HA3 GLY A 120 15.667 -3.244 -7.471 1.00 1.00 H new ATOM 1893 N SER A 121 17.227 -3.658 -5.210 1.00 1.00 N ATOM 1894 CA SER A 121 17.580 -3.602 -3.799 1.00 1.00 C ATOM 1895 C SER A 121 17.984 -2.194 -3.397 1.00 1.00 C ATOM 1896 O SER A 121 18.470 -1.410 -4.219 1.00 1.00 O ATOM 1897 CB SER A 121 18.728 -4.575 -3.500 1.00 1.00 C ATOM 1898 OG SER A 121 18.236 -5.786 -2.945 1.00 1.00 O ATOM 0 H SER A 121 17.906 -3.221 -5.833 1.00 1.00 H new ATOM 0 HA SER A 121 16.703 -3.891 -3.220 1.00 1.00 H new ATOM 0 HB2 SER A 121 19.278 -4.788 -4.417 1.00 1.00 H new ATOM 0 HB3 SER A 121 19.431 -4.112 -2.807 1.00 1.00 H new ATOM 0 HG SER A 121 18.985 -6.391 -2.764 1.00 1.00 H new ATOM 1904 N PHE A 122 17.757 -1.871 -2.144 1.00 1.00 N ATOM 1905 CA PHE A 122 18.058 -0.546 -1.602 1.00 1.00 C ATOM 1906 C PHE A 122 18.546 -0.637 -0.163 1.00 1.00 C ATOM 1907 O PHE A 122 18.328 -1.640 0.518 1.00 1.00 O ATOM 1908 CB PHE A 122 16.825 0.359 -1.689 1.00 1.00 C ATOM 1909 CG PHE A 122 16.598 0.951 -3.051 1.00 1.00 C ATOM 1910 CD1 PHE A 122 15.879 0.253 -4.009 1.00 1.00 C ATOM 1911 CD2 PHE A 122 17.100 2.201 -3.375 1.00 1.00 C ATOM 1912 CE1 PHE A 122 15.665 0.791 -5.263 1.00 1.00 C ATOM 1913 CE2 PHE A 122 16.890 2.745 -4.628 1.00 1.00 C ATOM 1914 CZ PHE A 122 16.171 2.038 -5.574 1.00 1.00 C ATOM 0 H PHE A 122 17.357 -2.515 -1.462 1.00 1.00 H new ATOM 0 HA PHE A 122 18.858 -0.112 -2.202 1.00 1.00 H new ATOM 0 HB2 PHE A 122 15.944 -0.215 -1.402 1.00 1.00 H new ATOM 0 HB3 PHE A 122 16.928 1.167 -0.965 1.00 1.00 H new ATOM 0 HD1 PHE A 122 15.482 -0.723 -3.772 1.00 1.00 H new ATOM 0 HD2 PHE A 122 17.662 2.757 -2.639 1.00 1.00 H new ATOM 0 HE1 PHE A 122 15.102 0.237 -6.000 1.00 1.00 H new ATOM 0 HE2 PHE A 122 17.287 3.720 -4.868 1.00 1.00 H new ATOM 0 HZ PHE A 122 16.005 2.460 -6.554 1.00 1.00 H new ATOM 1924 N GLU A 123 19.222 0.418 0.291 1.00 1.00 N ATOM 1925 CA GLU A 123 19.759 0.445 1.651 1.00 1.00 C ATOM 1926 C GLU A 123 19.088 1.534 2.482 1.00 1.00 C ATOM 1927 O GLU A 123 18.849 2.646 2.014 1.00 1.00 O ATOM 1928 CB GLU A 123 21.274 0.681 1.601 1.00 1.00 C ATOM 1929 CG GLU A 123 22.093 -0.595 1.708 1.00 1.00 C ATOM 1930 CD GLU A 123 23.489 -0.346 2.245 1.00 1.00 C ATOM 1931 OE1 GLU A 123 24.273 0.348 1.564 1.00 1.00 O ATOM 1932 OE2 GLU A 123 23.795 -0.838 3.350 1.00 1.00 O ATOM 0 H GLU A 123 19.410 1.258 -0.257 1.00 1.00 H new ATOM 0 HA GLU A 123 19.555 -0.516 2.124 1.00 1.00 H new ATOM 0 HB2 GLU A 123 21.524 1.186 0.668 1.00 1.00 H new ATOM 0 HB3 GLU A 123 21.556 1.353 2.412 1.00 1.00 H new ATOM 0 HG2 GLU A 123 21.577 -1.300 2.359 1.00 1.00 H new ATOM 0 HG3 GLU A 123 22.163 -1.061 0.725 1.00 1.00 H new ATOM 1939 N GLY A 124 18.770 1.186 3.729 1.00 1.00 N ATOM 1940 CA GLY A 124 18.126 2.135 4.618 1.00 1.00 C ATOM 1941 C GLY A 124 18.125 1.676 6.069 1.00 1.00 C ATOM 1942 O GLY A 124 18.515 0.550 6.365 1.00 1.00 O ATOM 0 H GLY A 124 18.947 0.267 4.136 1.00 1.00 H new ATOM 0 HA2 GLY A 124 18.635 3.096 4.546 1.00 1.00 H new ATOM 0 HA3 GLY A 124 17.098 2.293 4.291 1.00 1.00 H new ATOM 1946 N ASP A 125 17.684 2.556 6.959 1.00 1.00 N ATOM 1947 CA ASP A 125 17.633 2.248 8.389 1.00 1.00 C ATOM 1948 C ASP A 125 16.306 1.611 8.792 1.00 1.00 C ATOM 1949 O ASP A 125 16.092 1.298 9.962 1.00 1.00 O ATOM 1950 CB ASP A 125 17.856 3.516 9.213 1.00 1.00 C ATOM 1951 CG ASP A 125 16.708 4.508 9.093 1.00 1.00 C ATOM 1952 OD1 ASP A 125 15.602 4.208 9.589 1.00 1.00 O ATOM 1953 OD2 ASP A 125 16.923 5.588 8.503 1.00 1.00 O ATOM 0 H ASP A 125 17.355 3.491 6.719 1.00 1.00 H new ATOM 0 HA ASP A 125 18.428 1.530 8.590 1.00 1.00 H new ATOM 0 HB2 ASP A 125 17.987 3.245 10.260 1.00 1.00 H new ATOM 0 HB3 ASP A 125 18.780 3.996 8.890 1.00 1.00 H new ATOM 1958 N THR A 126 15.395 1.415 7.847 1.00 1.00 N ATOM 1959 CA THR A 126 14.095 0.828 8.178 1.00 1.00 C ATOM 1960 C THR A 126 13.942 -0.546 7.521 1.00 1.00 C ATOM 1961 O THR A 126 14.100 -0.685 6.316 1.00 1.00 O ATOM 1962 CB THR A 126 12.953 1.744 7.735 1.00 1.00 C ATOM 1963 OG1 THR A 126 13.078 3.038 8.311 1.00 1.00 O ATOM 1964 CG2 THR A 126 11.586 1.204 8.101 1.00 1.00 C ATOM 0 H THR A 126 15.524 1.647 6.862 1.00 1.00 H new ATOM 0 HA THR A 126 14.048 0.711 9.261 1.00 1.00 H new ATOM 0 HB THR A 126 13.032 1.797 6.649 1.00 1.00 H new ATOM 0 HG1 THR A 126 13.938 3.108 8.775 1.00 1.00 H new ATOM 0 HG21 THR A 126 10.818 1.898 7.760 1.00 1.00 H new ATOM 0 HG22 THR A 126 11.438 0.235 7.624 1.00 1.00 H new ATOM 0 HG23 THR A 126 11.518 1.089 9.183 1.00 1.00 H new ATOM 1972 N LYS A 127 13.620 -1.557 8.321 1.00 1.00 N ATOM 1973 CA LYS A 127 13.437 -2.911 7.814 1.00 1.00 C ATOM 1974 C LYS A 127 12.042 -3.444 8.140 1.00 1.00 C ATOM 1975 O LYS A 127 11.476 -3.147 9.191 1.00 1.00 O ATOM 1976 CB LYS A 127 14.501 -3.852 8.390 1.00 1.00 C ATOM 1977 CG LYS A 127 15.929 -3.348 8.198 1.00 1.00 C ATOM 1978 CD LYS A 127 16.942 -4.331 8.757 1.00 1.00 C ATOM 1979 CE LYS A 127 17.851 -4.870 7.665 1.00 1.00 C ATOM 1980 NZ LYS A 127 18.399 -6.212 8.007 1.00 1.00 N ATOM 0 H LYS A 127 13.480 -1.463 9.327 1.00 1.00 H new ATOM 0 HA LYS A 127 13.544 -2.872 6.730 1.00 1.00 H new ATOM 0 HB2 LYS A 127 14.313 -3.991 9.455 1.00 1.00 H new ATOM 0 HB3 LYS A 127 14.403 -4.830 7.919 1.00 1.00 H new ATOM 0 HG2 LYS A 127 16.121 -3.189 7.137 1.00 1.00 H new ATOM 0 HG3 LYS A 127 16.045 -2.383 8.691 1.00 1.00 H new ATOM 0 HD2 LYS A 127 17.542 -3.841 9.524 1.00 1.00 H new ATOM 0 HD3 LYS A 127 16.421 -5.158 9.240 1.00 1.00 H new ATOM 0 HE2 LYS A 127 17.296 -4.933 6.729 1.00 1.00 H new ATOM 0 HE3 LYS A 127 18.673 -4.174 7.501 1.00 1.00 H new ATOM 0 HZ1 LYS A 127 19.013 -6.543 7.236 1.00 1.00 H new ATOM 0 HZ2 LYS A 127 18.951 -6.148 8.886 1.00 1.00 H new ATOM 0 HZ3 LYS A 127 17.616 -6.884 8.138 1.00 1.00 H new ATOM 1994 N MET A 128 11.497 -4.242 7.230 1.00 1.00 N ATOM 1995 CA MET A 128 10.177 -4.819 7.415 1.00 1.00 C ATOM 1996 C MET A 128 10.216 -5.964 8.419 1.00 1.00 C ATOM 1997 O MET A 128 11.172 -6.743 8.454 1.00 1.00 O ATOM 1998 CB MET A 128 9.635 -5.311 6.078 1.00 1.00 C ATOM 1999 CG MET A 128 10.394 -6.500 5.505 1.00 1.00 C ATOM 2000 SD MET A 128 9.322 -7.933 5.254 1.00 1.00 S ATOM 2001 CE MET A 128 8.017 -7.234 4.249 1.00 1.00 C ATOM 0 H MET A 128 11.952 -4.503 6.355 1.00 1.00 H new ATOM 0 HA MET A 128 9.517 -4.047 7.809 1.00 1.00 H new ATOM 0 HB2 MET A 128 8.587 -5.586 6.201 1.00 1.00 H new ATOM 0 HB3 MET A 128 9.667 -4.491 5.360 1.00 1.00 H new ATOM 0 HG2 MET A 128 10.848 -6.216 4.555 1.00 1.00 H new ATOM 0 HG3 MET A 128 11.207 -6.770 6.179 1.00 1.00 H new ATOM 0 HE1 MET A 128 7.066 -7.322 4.775 1.00 1.00 H new ATOM 0 HE2 MET A 128 8.229 -6.182 4.057 1.00 1.00 H new ATOM 0 HE3 MET A 128 7.959 -7.771 3.302 1.00 1.00 H new ATOM 2011 N ILE A 129 9.178 -6.055 9.258 1.00 1.00 N ATOM 2012 CA ILE A 129 9.095 -7.098 10.279 1.00 1.00 C ATOM 2013 C ILE A 129 8.714 -8.455 9.680 1.00 1.00 C ATOM 2014 O ILE A 129 8.251 -8.534 8.545 1.00 1.00 O ATOM 2015 CB ILE A 129 8.073 -6.724 11.380 1.00 1.00 C ATOM 2016 CG1 ILE A 129 6.866 -6.002 10.794 1.00 1.00 C ATOM 2017 CG2 ILE A 129 8.731 -5.866 12.452 1.00 1.00 C ATOM 2018 CD1 ILE A 129 6.277 -6.679 9.576 1.00 1.00 C ATOM 0 H ILE A 129 8.383 -5.416 9.247 1.00 1.00 H new ATOM 0 HA ILE A 129 10.089 -7.178 10.720 1.00 1.00 H new ATOM 0 HB ILE A 129 7.724 -7.650 11.836 1.00 1.00 H new ATOM 0 HG12 ILE A 129 6.096 -5.922 11.561 1.00 1.00 H new ATOM 0 HG13 ILE A 129 7.157 -4.986 10.527 1.00 1.00 H new ATOM 0 HG21 ILE A 129 7.997 -5.613 13.217 1.00 1.00 H new ATOM 0 HG22 ILE A 129 9.553 -6.419 12.907 1.00 1.00 H new ATOM 0 HG23 ILE A 129 9.115 -4.951 12.001 1.00 1.00 H new ATOM 0 HD11 ILE A 129 5.422 -6.105 9.218 1.00 1.00 H new ATOM 0 HD12 ILE A 129 7.031 -6.735 8.791 1.00 1.00 H new ATOM 0 HD13 ILE A 129 5.953 -7.686 9.840 1.00 1.00 H new ATOM 2030 N PRO A 130 8.924 -9.533 10.445 1.00 1.00 N ATOM 2031 CA PRO A 130 8.626 -10.901 10.006 1.00 1.00 C ATOM 2032 C PRO A 130 7.144 -11.098 9.683 1.00 1.00 C ATOM 2033 O PRO A 130 6.273 -10.519 10.324 1.00 1.00 O ATOM 2034 CB PRO A 130 9.028 -11.774 11.197 1.00 1.00 C ATOM 2035 CG PRO A 130 9.953 -10.922 11.994 1.00 1.00 C ATOM 2036 CD PRO A 130 9.482 -9.506 11.797 1.00 1.00 C ATOM 0 HA PRO A 130 9.159 -11.148 9.088 1.00 1.00 H new ATOM 0 HB2 PRO A 130 8.158 -12.070 11.783 1.00 1.00 H new ATOM 0 HB3 PRO A 130 9.518 -12.691 10.869 1.00 1.00 H new ATOM 0 HG2 PRO A 130 9.929 -11.199 13.048 1.00 1.00 H new ATOM 0 HG3 PRO A 130 10.983 -11.042 11.657 1.00 1.00 H new ATOM 0 HD2 PRO A 130 8.734 -9.222 12.537 1.00 1.00 H new ATOM 0 HD3 PRO A 130 10.301 -8.792 11.882 1.00 1.00 H new ATOM 2044 N LEU A 131 6.877 -11.926 8.682 1.00 1.00 N ATOM 2045 CA LEU A 131 5.508 -12.209 8.254 1.00 1.00 C ATOM 2046 C LEU A 131 5.089 -13.616 8.664 1.00 1.00 C ATOM 2047 O LEU A 131 5.790 -14.595 8.376 1.00 1.00 O ATOM 2048 CB LEU A 131 5.388 -12.033 6.739 1.00 1.00 C ATOM 2049 CG LEU A 131 5.066 -10.611 6.284 1.00 1.00 C ATOM 2050 CD1 LEU A 131 5.503 -10.414 4.842 1.00 1.00 C ATOM 2051 CD2 LEU A 131 3.579 -10.307 6.440 1.00 1.00 C ATOM 0 H LEU A 131 7.593 -12.417 8.147 1.00 1.00 H new ATOM 0 HA LEU A 131 4.839 -11.503 8.746 1.00 1.00 H new ATOM 0 HB2 LEU A 131 6.324 -12.345 6.276 1.00 1.00 H new ATOM 0 HB3 LEU A 131 4.611 -12.703 6.370 1.00 1.00 H new ATOM 0 HG LEU A 131 5.616 -9.915 6.918 1.00 1.00 H new ATOM 0 HD11 LEU A 131 5.269 -9.397 4.527 1.00 1.00 H new ATOM 0 HD12 LEU A 131 6.577 -10.581 4.761 1.00 1.00 H new ATOM 0 HD13 LEU A 131 4.977 -11.122 4.202 1.00 1.00 H new ATOM 0 HD21 LEU A 131 3.379 -9.288 6.108 1.00 1.00 H new ATOM 0 HD22 LEU A 131 3.000 -11.005 5.836 1.00 1.00 H new ATOM 0 HD23 LEU A 131 3.294 -10.410 7.487 1.00 1.00 H new ATOM 2063 N ASN A 132 3.946 -13.733 9.334 1.00 1.00 N ATOM 2064 CA ASN A 132 3.475 -15.043 9.768 1.00 1.00 C ATOM 2065 C ASN A 132 2.675 -15.711 8.670 1.00 1.00 C ATOM 2066 O ASN A 132 1.541 -15.328 8.378 1.00 1.00 O ATOM 2067 CB ASN A 132 2.615 -14.894 11.024 1.00 1.00 C ATOM 2068 CG ASN A 132 3.394 -15.192 12.290 1.00 1.00 C ATOM 2069 OD1 ASN A 132 4.612 -15.367 12.249 1.00 1.00 O ATOM 2070 ND2 ASN A 132 2.700 -15.233 13.422 1.00 1.00 N ATOM 0 H ASN A 132 3.339 -12.952 9.584 1.00 1.00 H new ATOM 0 HA ASN A 132 4.339 -15.667 9.995 1.00 1.00 H new ATOM 0 HB2 ASN A 132 2.219 -13.880 11.073 1.00 1.00 H new ATOM 0 HB3 ASN A 132 1.760 -15.567 10.959 1.00 1.00 H new ATOM 0 HD21 ASN A 132 3.176 -15.416 14.306 1.00 1.00 H new ATOM 0 HD22 ASN A 132 1.691 -15.082 13.408 1.00 1.00 H new ATOM 2077 N TRP A 133 3.274 -16.717 8.056 1.00 1.00 N ATOM 2078 CA TRP A 133 2.639 -17.451 6.971 1.00 1.00 C ATOM 2079 C TRP A 133 1.322 -18.094 7.404 1.00 1.00 C ATOM 2080 O TRP A 133 0.357 -18.103 6.650 1.00 1.00 O ATOM 2081 CB TRP A 133 3.587 -18.516 6.410 1.00 1.00 C ATOM 2082 CG TRP A 133 4.556 -17.981 5.410 1.00 1.00 C ATOM 2083 CD1 TRP A 133 5.266 -16.820 5.506 1.00 1.00 C ATOM 2084 CD2 TRP A 133 4.931 -18.584 4.171 1.00 1.00 C ATOM 2085 NE1 TRP A 133 6.063 -16.666 4.398 1.00 1.00 N ATOM 2086 CE2 TRP A 133 5.875 -17.735 3.564 1.00 1.00 C ATOM 2087 CE3 TRP A 133 4.562 -19.760 3.516 1.00 1.00 C ATOM 2088 CZ2 TRP A 133 6.453 -18.027 2.335 1.00 1.00 C ATOM 2089 CZ3 TRP A 133 5.137 -20.049 2.293 1.00 1.00 C ATOM 2090 CH2 TRP A 133 6.074 -19.185 1.714 1.00 1.00 C ATOM 0 H TRP A 133 4.209 -17.048 8.293 1.00 1.00 H new ATOM 0 HA TRP A 133 2.411 -16.728 6.188 1.00 1.00 H new ATOM 0 HB2 TRP A 133 4.139 -18.970 7.233 1.00 1.00 H new ATOM 0 HB3 TRP A 133 2.998 -19.308 5.947 1.00 1.00 H new ATOM 0 HD1 TRP A 133 5.210 -16.125 6.331 1.00 1.00 H new ATOM 0 HE1 TRP A 133 6.693 -15.882 4.225 1.00 1.00 H new ATOM 0 HE3 TRP A 133 3.840 -20.432 3.957 1.00 1.00 H new ATOM 0 HZ2 TRP A 133 7.176 -17.363 1.886 1.00 1.00 H new ATOM 0 HZ3 TRP A 133 4.859 -20.956 1.776 1.00 1.00 H new ATOM 0 HH2 TRP A 133 6.506 -19.438 0.757 1.00 1.00 H new ATOM 2101 N ASP A 134 1.283 -18.629 8.615 1.00 1.00 N ATOM 2102 CA ASP A 134 0.081 -19.271 9.124 1.00 1.00 C ATOM 2103 C ASP A 134 -1.068 -18.275 9.301 1.00 1.00 C ATOM 2104 O ASP A 134 -2.240 -18.626 9.104 1.00 1.00 O ATOM 2105 CB ASP A 134 0.381 -19.958 10.464 1.00 1.00 C ATOM 2106 CG ASP A 134 0.450 -21.461 10.351 1.00 1.00 C ATOM 2107 OD1 ASP A 134 1.478 -21.974 9.860 1.00 1.00 O ATOM 2108 OD2 ASP A 134 -0.523 -22.132 10.756 1.00 1.00 O ATOM 0 H ASP A 134 2.070 -18.631 9.264 1.00 1.00 H new ATOM 0 HA ASP A 134 -0.231 -20.013 8.389 1.00 1.00 H new ATOM 0 HB2 ASP A 134 1.328 -19.584 10.854 1.00 1.00 H new ATOM 0 HB3 ASP A 134 -0.390 -19.688 11.186 1.00 1.00 H new ATOM 2113 N ASP A 135 -0.735 -17.046 9.695 1.00 1.00 N ATOM 2114 CA ASP A 135 -1.732 -16.005 9.923 1.00 1.00 C ATOM 2115 C ASP A 135 -2.471 -15.587 8.657 1.00 1.00 C ATOM 2116 O ASP A 135 -3.658 -15.265 8.710 1.00 1.00 O ATOM 2117 CB ASP A 135 -1.077 -14.778 10.556 1.00 1.00 C ATOM 2118 CG ASP A 135 -0.902 -14.937 12.048 1.00 1.00 C ATOM 2119 OD1 ASP A 135 -1.383 -15.951 12.597 1.00 1.00 O ATOM 2120 OD2 ASP A 135 -0.281 -14.051 12.671 1.00 1.00 O ATOM 0 H ASP A 135 0.226 -16.747 9.863 1.00 1.00 H new ATOM 0 HA ASP A 135 -2.472 -16.434 10.599 1.00 1.00 H new ATOM 0 HB2 ASP A 135 -0.105 -14.606 10.093 1.00 1.00 H new ATOM 0 HB3 ASP A 135 -1.686 -13.897 10.354 1.00 1.00 H new ATOM 2125 N PHE A 136 -1.764 -15.571 7.532 1.00 1.00 N ATOM 2126 CA PHE A 136 -2.360 -15.158 6.264 1.00 1.00 C ATOM 2127 C PHE A 136 -1.839 -15.995 5.093 1.00 1.00 C ATOM 2128 O PHE A 136 -0.737 -16.531 5.145 1.00 1.00 O ATOM 2129 CB PHE A 136 -2.056 -13.677 6.011 1.00 1.00 C ATOM 2130 CG PHE A 136 -3.269 -12.781 6.048 1.00 1.00 C ATOM 2131 CD1 PHE A 136 -4.020 -12.637 7.204 1.00 1.00 C ATOM 2132 CD2 PHE A 136 -3.641 -12.069 4.918 1.00 1.00 C ATOM 2133 CE1 PHE A 136 -5.121 -11.801 7.232 1.00 1.00 C ATOM 2134 CE2 PHE A 136 -4.741 -11.231 4.942 1.00 1.00 C ATOM 2135 CZ PHE A 136 -5.480 -11.097 6.100 1.00 1.00 C ATOM 0 H PHE A 136 -0.781 -15.838 7.471 1.00 1.00 H new ATOM 0 HA PHE A 136 -3.437 -15.313 6.334 1.00 1.00 H new ATOM 0 HB2 PHE A 136 -1.341 -13.332 6.757 1.00 1.00 H new ATOM 0 HB3 PHE A 136 -1.574 -13.578 5.038 1.00 1.00 H new ATOM 0 HD1 PHE A 136 -3.742 -13.184 8.093 1.00 1.00 H new ATOM 0 HD2 PHE A 136 -3.066 -12.170 4.010 1.00 1.00 H new ATOM 0 HE1 PHE A 136 -5.699 -11.699 8.138 1.00 1.00 H new ATOM 0 HE2 PHE A 136 -5.022 -10.682 4.055 1.00 1.00 H new ATOM 0 HZ PHE A 136 -6.338 -10.442 6.121 1.00 1.00 H new ATOM 2145 N THR A 137 -2.632 -16.092 4.034 1.00 1.00 N ATOM 2146 CA THR A 137 -2.224 -16.857 2.856 1.00 1.00 C ATOM 2147 C THR A 137 -2.423 -16.045 1.589 1.00 1.00 C ATOM 2148 O THR A 137 -3.223 -15.100 1.542 1.00 1.00 O ATOM 2149 CB THR A 137 -3.015 -18.173 2.783 1.00 1.00 C ATOM 2150 OG1 THR A 137 -2.197 -19.223 2.287 1.00 1.00 O ATOM 2151 CG2 THR A 137 -4.243 -18.091 1.906 1.00 1.00 C ATOM 0 H THR A 137 -3.552 -15.657 3.963 1.00 1.00 H new ATOM 0 HA THR A 137 -1.163 -17.089 2.944 1.00 1.00 H new ATOM 0 HB THR A 137 -3.337 -18.371 3.805 1.00 1.00 H new ATOM 0 HG1 THR A 137 -2.717 -20.053 2.249 1.00 1.00 H new ATOM 0 HG21 THR A 137 -4.752 -19.055 1.901 1.00 1.00 H new ATOM 0 HG22 THR A 137 -4.917 -17.327 2.294 1.00 1.00 H new ATOM 0 HG23 THR A 137 -3.947 -17.832 0.889 1.00 1.00 H new ATOM 2159 N LYS A 138 -1.677 -16.390 0.542 1.00 1.00 N ATOM 2160 CA LYS A 138 -1.772 -15.670 -0.725 1.00 1.00 C ATOM 2161 C LYS A 138 -2.921 -16.205 -1.575 1.00 1.00 C ATOM 2162 O LYS A 138 -2.906 -17.364 -2.004 1.00 1.00 O ATOM 2163 CB LYS A 138 -0.457 -15.790 -1.507 1.00 1.00 C ATOM 2164 CG LYS A 138 -0.079 -17.225 -1.856 1.00 1.00 C ATOM 2165 CD LYS A 138 1.311 -17.569 -1.345 1.00 1.00 C ATOM 2166 CE LYS A 138 1.376 -18.996 -0.818 1.00 1.00 C ATOM 2167 NZ LYS A 138 1.556 -19.022 0.661 1.00 1.00 N ATOM 0 H LYS A 138 -1.005 -17.157 0.545 1.00 1.00 H new ATOM 0 HA LYS A 138 -1.964 -14.621 -0.499 1.00 1.00 H new ATOM 0 HB2 LYS A 138 -0.538 -15.211 -2.427 1.00 1.00 H new ATOM 0 HB3 LYS A 138 0.346 -15.345 -0.920 1.00 1.00 H new ATOM 0 HG2 LYS A 138 -0.808 -17.911 -1.424 1.00 1.00 H new ATOM 0 HG3 LYS A 138 -0.115 -17.361 -2.937 1.00 1.00 H new ATOM 0 HD2 LYS A 138 2.036 -17.444 -2.149 1.00 1.00 H new ATOM 0 HD3 LYS A 138 1.590 -16.875 -0.553 1.00 1.00 H new ATOM 0 HE2 LYS A 138 0.461 -19.526 -1.084 1.00 1.00 H new ATOM 0 HE3 LYS A 138 2.201 -19.525 -1.296 1.00 1.00 H new ATOM 0 HZ1 LYS A 138 1.596 -20.008 0.989 1.00 1.00 H new ATOM 0 HZ2 LYS A 138 2.441 -18.537 0.912 1.00 1.00 H new ATOM 0 HZ3 LYS A 138 0.756 -18.538 1.117 1.00 1.00 H new ATOM 2181 N VAL A 139 -3.906 -15.352 -1.837 1.00 1.00 N ATOM 2182 CA VAL A 139 -5.052 -15.719 -2.666 1.00 1.00 C ATOM 2183 C VAL A 139 -4.605 -16.019 -4.088 1.00 1.00 C ATOM 2184 O VAL A 139 -5.082 -16.960 -4.719 1.00 1.00 O ATOM 2185 CB VAL A 139 -6.166 -14.631 -2.696 1.00 1.00 C ATOM 2186 CG1 VAL A 139 -7.072 -14.756 -1.489 1.00 1.00 C ATOM 2187 CG2 VAL A 139 -5.574 -13.235 -2.781 1.00 1.00 C ATOM 0 H VAL A 139 -3.934 -14.395 -1.485 1.00 1.00 H new ATOM 0 HA VAL A 139 -5.482 -16.610 -2.208 1.00 1.00 H new ATOM 0 HB VAL A 139 -6.764 -14.794 -3.593 1.00 1.00 H new ATOM 0 HG11 VAL A 139 -7.842 -13.986 -1.531 1.00 1.00 H new ATOM 0 HG12 VAL A 139 -7.542 -15.740 -1.487 1.00 1.00 H new ATOM 0 HG13 VAL A 139 -6.485 -14.632 -0.579 1.00 1.00 H new ATOM 0 HG21 VAL A 139 -6.378 -12.499 -2.800 1.00 1.00 H new ATOM 0 HG22 VAL A 139 -4.939 -13.056 -1.914 1.00 1.00 H new ATOM 0 HG23 VAL A 139 -4.980 -13.147 -3.690 1.00 1.00 H new ATOM 2197 N SER A 140 -3.695 -15.182 -4.596 1.00 1.00 N ATOM 2198 CA SER A 140 -3.183 -15.327 -5.958 1.00 1.00 C ATOM 2199 C SER A 140 -1.822 -14.654 -6.120 1.00 1.00 C ATOM 2200 O SER A 140 -1.411 -13.860 -5.279 1.00 1.00 O ATOM 2201 CB SER A 140 -4.159 -14.722 -6.971 1.00 1.00 C ATOM 2202 OG SER A 140 -4.687 -15.719 -7.822 1.00 1.00 O ATOM 0 H SER A 140 -3.298 -14.396 -4.081 1.00 1.00 H new ATOM 0 HA SER A 140 -3.073 -16.395 -6.145 1.00 1.00 H new ATOM 0 HB2 SER A 140 -4.971 -14.221 -6.444 1.00 1.00 H new ATOM 0 HB3 SER A 140 -3.649 -13.964 -7.565 1.00 1.00 H new ATOM 0 HG SER A 140 -5.309 -15.309 -8.459 1.00 1.00 H new ATOM 2208 N SER A 141 -1.140 -14.979 -7.207 1.00 1.00 N ATOM 2209 CA SER A 141 0.178 -14.411 -7.479 1.00 1.00 C ATOM 2210 C SER A 141 0.286 -13.921 -8.919 1.00 1.00 C ATOM 2211 O SER A 141 -0.349 -14.463 -9.821 1.00 1.00 O ATOM 2212 CB SER A 141 1.266 -15.440 -7.175 1.00 1.00 C ATOM 2213 OG SER A 141 0.743 -16.520 -6.415 1.00 1.00 O ATOM 0 H SER A 141 -1.474 -15.632 -7.916 1.00 1.00 H new ATOM 0 HA SER A 141 0.317 -13.548 -6.828 1.00 1.00 H new ATOM 0 HB2 SER A 141 1.687 -15.816 -8.107 1.00 1.00 H new ATOM 0 HB3 SER A 141 2.079 -14.964 -6.627 1.00 1.00 H new ATOM 0 HG SER A 141 1.456 -17.168 -6.233 1.00 1.00 H new ATOM 2219 N ARG A 142 1.099 -12.886 -9.128 1.00 1.00 N ATOM 2220 CA ARG A 142 1.309 -12.310 -10.450 1.00 1.00 C ATOM 2221 C ARG A 142 2.792 -12.108 -10.723 1.00 1.00 C ATOM 2222 O ARG A 142 3.569 -11.809 -9.808 1.00 1.00 O ATOM 2223 CB ARG A 142 0.561 -10.983 -10.582 1.00 1.00 C ATOM 2224 CG ARG A 142 0.440 -10.504 -12.027 1.00 1.00 C ATOM 2225 CD ARG A 142 -0.995 -10.142 -12.385 1.00 1.00 C ATOM 2226 NE ARG A 142 -1.618 -9.319 -11.343 1.00 1.00 N ATOM 2227 CZ ARG A 142 -2.920 -9.047 -11.294 1.00 1.00 C ATOM 2228 NH1 ARG A 142 -3.749 -9.552 -12.200 1.00 1.00 N ATOM 2229 NH2 ARG A 142 -3.398 -8.272 -10.330 1.00 1.00 N ATOM 0 H ARG A 142 1.628 -12.427 -8.386 1.00 1.00 H new ATOM 0 HA ARG A 142 0.915 -13.008 -11.189 1.00 1.00 H new ATOM 0 HB2 ARG A 142 -0.437 -11.092 -10.157 1.00 1.00 H new ATOM 0 HB3 ARG A 142 1.076 -10.222 -9.995 1.00 1.00 H new ATOM 0 HG2 ARG A 142 1.082 -9.636 -12.177 1.00 1.00 H new ATOM 0 HG3 ARG A 142 0.797 -11.284 -12.700 1.00 1.00 H new ATOM 0 HD2 ARG A 142 -1.010 -9.604 -13.333 1.00 1.00 H new ATOM 0 HD3 ARG A 142 -1.577 -11.053 -12.527 1.00 1.00 H new ATOM 0 HE ARG A 142 -1.019 -8.933 -10.614 1.00 1.00 H new ATOM 0 HH11 ARG A 142 -3.389 -10.154 -12.941 1.00 1.00 H new ATOM 0 HH12 ARG A 142 -4.745 -9.338 -12.155 1.00 1.00 H new ATOM 0 HH21 ARG A 142 -2.768 -7.885 -9.627 1.00 1.00 H new ATOM 0 HH22 ARG A 142 -4.396 -8.063 -10.291 1.00 1.00 H new ATOM 2243 N THR A 143 3.184 -12.277 -11.977 1.00 1.00 N ATOM 2244 CA THR A 143 4.586 -12.115 -12.366 1.00 1.00 C ATOM 2245 C THR A 143 4.749 -11.016 -13.400 1.00 1.00 C ATOM 2246 O THR A 143 4.059 -11.007 -14.414 1.00 1.00 O ATOM 2247 CB THR A 143 5.134 -13.428 -12.917 1.00 1.00 C ATOM 2248 OG1 THR A 143 4.421 -14.530 -12.396 1.00 1.00 O ATOM 2249 CG2 THR A 143 6.603 -13.644 -12.617 1.00 1.00 C ATOM 0 H THR A 143 2.558 -12.525 -12.743 1.00 1.00 H new ATOM 0 HA THR A 143 5.149 -11.832 -11.476 1.00 1.00 H new ATOM 0 HB THR A 143 5.011 -13.355 -13.998 1.00 1.00 H new ATOM 0 HG1 THR A 143 4.788 -15.361 -12.764 1.00 1.00 H new ATOM 0 HG21 THR A 143 6.924 -14.597 -13.038 1.00 1.00 H new ATOM 0 HG22 THR A 143 7.187 -12.837 -13.059 1.00 1.00 H new ATOM 0 HG23 THR A 143 6.756 -13.655 -11.538 1.00 1.00 H new ATOM 2257 N VAL A 144 5.669 -10.097 -13.138 1.00 1.00 N ATOM 2258 CA VAL A 144 5.929 -8.993 -14.059 1.00 1.00 C ATOM 2259 C VAL A 144 7.363 -9.068 -14.571 1.00 1.00 C ATOM 2260 O VAL A 144 8.312 -9.190 -13.783 1.00 1.00 O ATOM 2261 CB VAL A 144 5.686 -7.634 -13.393 1.00 1.00 C ATOM 2262 CG1 VAL A 144 5.863 -6.508 -14.385 1.00 1.00 C ATOM 2263 CG2 VAL A 144 4.303 -7.592 -12.760 1.00 1.00 C ATOM 0 H VAL A 144 6.248 -10.092 -12.298 1.00 1.00 H new ATOM 0 HA VAL A 144 5.236 -9.087 -14.895 1.00 1.00 H new ATOM 0 HB VAL A 144 6.426 -7.501 -12.604 1.00 1.00 H new ATOM 0 HG11 VAL A 144 5.685 -5.554 -13.888 1.00 1.00 H new ATOM 0 HG12 VAL A 144 6.879 -6.528 -14.780 1.00 1.00 H new ATOM 0 HG13 VAL A 144 5.153 -6.629 -15.203 1.00 1.00 H new ATOM 0 HG21 VAL A 144 4.147 -6.620 -12.292 1.00 1.00 H new ATOM 0 HG22 VAL A 144 3.546 -7.750 -13.528 1.00 1.00 H new ATOM 0 HG23 VAL A 144 4.224 -8.375 -12.006 1.00 1.00 H new ATOM 2273 N GLU A 145 7.517 -9.010 -15.895 1.00 1.00 N ATOM 2274 CA GLU A 145 8.828 -9.079 -16.530 1.00 1.00 C ATOM 2275 C GLU A 145 9.152 -7.776 -17.265 1.00 1.00 C ATOM 2276 O GLU A 145 8.278 -7.140 -17.858 1.00 1.00 O ATOM 2277 CB GLU A 145 8.870 -10.253 -17.504 1.00 1.00 C ATOM 2278 CG GLU A 145 8.426 -11.586 -16.899 1.00 1.00 C ATOM 2279 CD GLU A 145 6.966 -11.891 -17.160 1.00 1.00 C ATOM 2280 OE1 GLU A 145 6.326 -11.134 -17.922 1.00 1.00 O ATOM 2281 OE2 GLU A 145 6.461 -12.888 -16.604 1.00 1.00 O ATOM 0 H GLU A 145 6.741 -8.915 -16.550 1.00 1.00 H new ATOM 0 HA GLU A 145 9.578 -9.226 -15.753 1.00 1.00 H new ATOM 0 HB2 GLU A 145 8.233 -10.025 -18.359 1.00 1.00 H new ATOM 0 HB3 GLU A 145 9.886 -10.360 -17.883 1.00 1.00 H new ATOM 0 HG2 GLU A 145 9.039 -12.388 -17.309 1.00 1.00 H new ATOM 0 HG3 GLU A 145 8.602 -11.568 -15.823 1.00 1.00 H new ATOM 2288 N ASP A 146 10.411 -7.372 -17.203 1.00 1.00 N ATOM 2289 CA ASP A 146 10.853 -6.135 -17.846 1.00 1.00 C ATOM 2290 C ASP A 146 12.326 -6.223 -18.264 1.00 1.00 C ATOM 2291 O ASP A 146 13.028 -7.180 -17.925 1.00 1.00 O ATOM 2292 CB ASP A 146 10.655 -4.943 -16.906 1.00 1.00 C ATOM 2293 CG ASP A 146 9.781 -3.856 -17.515 1.00 1.00 C ATOM 2294 OD1 ASP A 146 10.034 -3.467 -18.674 1.00 1.00 O ATOM 2295 OD2 ASP A 146 8.834 -3.409 -16.834 1.00 1.00 O ATOM 0 H ASP A 146 11.149 -7.880 -16.715 1.00 1.00 H new ATOM 0 HA ASP A 146 10.247 -5.992 -18.741 1.00 1.00 H new ATOM 0 HB2 ASP A 146 10.203 -5.289 -15.977 1.00 1.00 H new ATOM 0 HB3 ASP A 146 11.627 -4.522 -16.650 1.00 1.00 H new ATOM 2300 N THR A 147 12.761 -5.233 -19.028 1.00 1.00 N ATOM 2301 CA THR A 147 14.128 -5.206 -19.542 1.00 1.00 C ATOM 2302 C THR A 147 15.154 -5.146 -18.409 1.00 1.00 C ATOM 2303 O THR A 147 16.142 -5.889 -18.412 1.00 1.00 O ATOM 2304 CB THR A 147 14.328 -4.012 -20.476 1.00 1.00 C ATOM 2305 OG1 THR A 147 15.642 -4.030 -21.022 1.00 1.00 O ATOM 2306 CG2 THR A 147 14.147 -2.678 -19.792 1.00 1.00 C ATOM 0 H THR A 147 12.189 -4.436 -19.308 1.00 1.00 H new ATOM 0 HA THR A 147 14.283 -6.131 -20.098 1.00 1.00 H new ATOM 0 HB THR A 147 13.565 -4.114 -21.248 1.00 1.00 H new ATOM 0 HG1 THR A 147 15.758 -3.262 -21.620 1.00 1.00 H new ATOM 0 HG21 THR A 147 14.303 -1.875 -20.513 1.00 1.00 H new ATOM 0 HG22 THR A 147 13.137 -2.611 -19.387 1.00 1.00 H new ATOM 0 HG23 THR A 147 14.870 -2.584 -18.982 1.00 1.00 H new ATOM 2314 N ASN A 148 14.921 -4.276 -17.448 1.00 1.00 N ATOM 2315 CA ASN A 148 15.833 -4.143 -16.322 1.00 1.00 C ATOM 2316 C ASN A 148 15.460 -5.111 -15.209 1.00 1.00 C ATOM 2317 O ASN A 148 14.301 -5.203 -14.838 1.00 1.00 O ATOM 2318 CB ASN A 148 15.814 -2.708 -15.810 1.00 1.00 C ATOM 2319 CG ASN A 148 17.105 -2.334 -15.113 1.00 1.00 C ATOM 2320 OD1 ASN A 148 18.182 -2.831 -15.444 1.00 1.00 O ATOM 2321 ND2 ASN A 148 16.994 -1.454 -14.126 1.00 1.00 N ATOM 0 H ASN A 148 14.114 -3.652 -17.420 1.00 1.00 H new ATOM 0 HA ASN A 148 16.841 -4.387 -16.657 1.00 1.00 H new ATOM 0 HB2 ASN A 148 15.643 -2.028 -16.645 1.00 1.00 H new ATOM 0 HB3 ASN A 148 14.980 -2.581 -15.120 1.00 1.00 H new ATOM 0 HD21 ASN A 148 17.822 -1.163 -13.607 1.00 1.00 H new ATOM 0 HD22 ASN A 148 16.080 -1.069 -13.887 1.00 1.00 H new ATOM 2328 N PRO A 149 16.431 -5.853 -14.642 1.00 1.00 N ATOM 2329 CA PRO A 149 16.144 -6.804 -13.557 1.00 1.00 C ATOM 2330 C PRO A 149 15.469 -6.124 -12.375 1.00 1.00 C ATOM 2331 O PRO A 149 14.587 -6.698 -11.732 1.00 1.00 O ATOM 2332 CB PRO A 149 17.534 -7.321 -13.159 1.00 1.00 C ATOM 2333 CG PRO A 149 18.404 -7.070 -14.336 1.00 1.00 C ATOM 2334 CD PRO A 149 17.870 -5.824 -14.983 1.00 1.00 C ATOM 0 HA PRO A 149 15.459 -7.593 -13.868 1.00 1.00 H new ATOM 0 HB2 PRO A 149 17.908 -6.801 -12.277 1.00 1.00 H new ATOM 0 HB3 PRO A 149 17.502 -8.383 -12.914 1.00 1.00 H new ATOM 0 HG2 PRO A 149 19.443 -6.939 -14.033 1.00 1.00 H new ATOM 0 HG3 PRO A 149 18.378 -7.912 -15.028 1.00 1.00 H new ATOM 0 HD2 PRO A 149 18.357 -4.929 -14.596 1.00 1.00 H new ATOM 0 HD3 PRO A 149 18.028 -5.831 -16.061 1.00 1.00 H new ATOM 2342 N ALA A 150 15.891 -4.898 -12.090 1.00 1.00 N ATOM 2343 CA ALA A 150 15.319 -4.132 -10.990 1.00 1.00 C ATOM 2344 C ALA A 150 13.853 -3.832 -11.267 1.00 1.00 C ATOM 2345 O ALA A 150 13.010 -3.829 -10.361 1.00 1.00 O ATOM 2346 CB ALA A 150 16.096 -2.841 -10.782 1.00 1.00 C ATOM 0 H ALA A 150 16.626 -4.414 -12.605 1.00 1.00 H new ATOM 0 HA ALA A 150 15.387 -4.725 -10.078 1.00 1.00 H new ATOM 0 HB1 ALA A 150 15.656 -2.281 -9.957 1.00 1.00 H new ATOM 0 HB2 ALA A 150 17.135 -3.075 -10.549 1.00 1.00 H new ATOM 0 HB3 ALA A 150 16.055 -2.241 -11.691 1.00 1.00 H new ATOM 2352 N LEU A 151 13.561 -3.571 -12.529 1.00 1.00 N ATOM 2353 CA LEU A 151 12.205 -3.251 -12.973 1.00 1.00 C ATOM 2354 C LEU A 151 11.246 -4.425 -12.759 1.00 1.00 C ATOM 2355 O LEU A 151 10.080 -4.218 -12.418 1.00 1.00 O ATOM 2356 CB LEU A 151 12.213 -2.836 -14.442 1.00 1.00 C ATOM 2357 CG LEU A 151 12.394 -1.337 -14.673 1.00 1.00 C ATOM 2358 CD1 LEU A 151 12.572 -1.027 -16.144 1.00 1.00 C ATOM 2359 CD2 LEU A 151 11.207 -0.561 -14.128 1.00 1.00 C ATOM 0 H LEU A 151 14.253 -3.573 -13.279 1.00 1.00 H new ATOM 0 HA LEU A 151 11.848 -2.418 -12.367 1.00 1.00 H new ATOM 0 HB2 LEU A 151 13.014 -3.369 -14.953 1.00 1.00 H new ATOM 0 HB3 LEU A 151 11.276 -3.152 -14.901 1.00 1.00 H new ATOM 0 HG LEU A 151 13.295 -1.031 -14.141 1.00 1.00 H new ATOM 0 HD11 LEU A 151 12.698 0.047 -16.277 1.00 1.00 H new ATOM 0 HD12 LEU A 151 13.454 -1.545 -16.521 1.00 1.00 H new ATOM 0 HD13 LEU A 151 11.692 -1.360 -16.695 1.00 1.00 H new ATOM 0 HD21 LEU A 151 11.357 0.504 -14.303 1.00 1.00 H new ATOM 0 HD22 LEU A 151 10.297 -0.887 -14.632 1.00 1.00 H new ATOM 0 HD23 LEU A 151 11.114 -0.743 -13.057 1.00 1.00 H new ATOM 2371 N THR A 152 11.726 -5.643 -12.979 1.00 1.00 N ATOM 2372 CA THR A 152 10.890 -6.836 -12.819 1.00 1.00 C ATOM 2373 C THR A 152 10.473 -6.999 -11.367 1.00 1.00 C ATOM 2374 O THR A 152 11.280 -6.821 -10.452 1.00 1.00 O ATOM 2375 CB THR A 152 11.662 -8.080 -13.275 1.00 1.00 C ATOM 2376 OG1 THR A 152 10.792 -8.996 -13.914 1.00 1.00 O ATOM 2377 CG2 THR A 152 12.327 -8.812 -12.132 1.00 1.00 C ATOM 0 H THR A 152 12.685 -5.835 -13.268 1.00 1.00 H new ATOM 0 HA THR A 152 9.997 -6.719 -13.433 1.00 1.00 H new ATOM 0 HB THR A 152 12.430 -7.717 -13.958 1.00 1.00 H new ATOM 0 HG1 THR A 152 10.006 -9.149 -13.349 1.00 1.00 H new ATOM 0 HG21 THR A 152 12.858 -9.683 -12.517 1.00 1.00 H new ATOM 0 HG22 THR A 152 13.034 -8.147 -11.636 1.00 1.00 H new ATOM 0 HG23 THR A 152 11.570 -9.135 -11.417 1.00 1.00 H new ATOM 2385 N HIS A 153 9.203 -7.325 -11.149 1.00 1.00 N ATOM 2386 CA HIS A 153 8.673 -7.488 -9.794 1.00 1.00 C ATOM 2387 C HIS A 153 7.520 -8.483 -9.775 1.00 1.00 C ATOM 2388 O HIS A 153 6.914 -8.774 -10.808 1.00 1.00 O ATOM 2389 CB HIS A 153 8.208 -6.144 -9.250 1.00 1.00 C ATOM 2390 CG HIS A 153 7.350 -5.371 -10.206 1.00 1.00 C ATOM 2391 ND1 HIS A 153 7.756 -4.197 -10.806 1.00 1.00 N ATOM 2392 CD2 HIS A 153 6.090 -5.600 -10.645 1.00 1.00 C ATOM 2393 CE1 HIS A 153 6.783 -3.739 -11.573 1.00 1.00 C ATOM 2394 NE2 HIS A 153 5.762 -4.572 -11.494 1.00 1.00 N ATOM 0 H HIS A 153 8.520 -7.482 -11.890 1.00 1.00 H new ATOM 0 HA HIS A 153 9.471 -7.876 -9.161 1.00 1.00 H new ATOM 0 HB2 HIS A 153 7.651 -6.308 -8.327 1.00 1.00 H new ATOM 0 HB3 HIS A 153 9.081 -5.544 -8.993 1.00 1.00 H new ATOM 0 HD1 HIS A 153 8.665 -3.752 -10.678 1.00 1.00 H new ATOM 0 HD2 HIS A 153 5.460 -6.436 -10.377 1.00 1.00 H new ATOM 0 HE1 HIS A 153 6.817 -2.836 -12.165 1.00 1.00 H new ATOM 2403 N THR A 154 7.194 -8.992 -8.591 1.00 1.00 N ATOM 2404 CA THR A 154 6.097 -9.933 -8.439 1.00 1.00 C ATOM 2405 C THR A 154 5.005 -9.373 -7.521 1.00 1.00 C ATOM 2406 O THR A 154 5.284 -8.925 -6.405 1.00 1.00 O ATOM 2407 CB THR A 154 6.625 -11.257 -7.868 1.00 1.00 C ATOM 2408 OG1 THR A 154 8.041 -11.247 -7.808 1.00 1.00 O ATOM 2409 CG2 THR A 154 6.221 -12.465 -8.676 1.00 1.00 C ATOM 0 H THR A 154 7.678 -8.766 -7.722 1.00 1.00 H new ATOM 0 HA THR A 154 5.659 -10.104 -9.422 1.00 1.00 H new ATOM 0 HB THR A 154 6.181 -11.336 -6.876 1.00 1.00 H new ATOM 0 HG1 THR A 154 8.359 -12.098 -7.440 1.00 1.00 H new ATOM 0 HG21 THR A 154 6.629 -13.364 -8.215 1.00 1.00 H new ATOM 0 HG22 THR A 154 5.134 -12.534 -8.708 1.00 1.00 H new ATOM 0 HG23 THR A 154 6.608 -12.370 -9.690 1.00 1.00 H new ATOM 2417 N TYR A 155 3.764 -9.408 -7.996 1.00 1.00 N ATOM 2418 CA TYR A 155 2.639 -8.915 -7.206 1.00 1.00 C ATOM 2419 C TYR A 155 1.816 -10.072 -6.661 1.00 1.00 C ATOM 2420 O TYR A 155 1.446 -10.981 -7.395 1.00 1.00 O ATOM 2421 CB TYR A 155 1.748 -7.991 -8.038 1.00 1.00 C ATOM 2422 CG TYR A 155 1.515 -6.643 -7.392 1.00 1.00 C ATOM 2423 CD1 TYR A 155 0.897 -6.539 -6.153 1.00 1.00 C ATOM 2424 CD2 TYR A 155 1.886 -5.473 -8.042 1.00 1.00 C ATOM 2425 CE1 TYR A 155 0.656 -5.305 -5.577 1.00 1.00 C ATOM 2426 CE2 TYR A 155 1.649 -4.235 -7.473 1.00 1.00 C ATOM 2427 CZ TYR A 155 1.033 -4.157 -6.241 1.00 1.00 C ATOM 2428 OH TYR A 155 0.787 -2.925 -5.675 1.00 1.00 O ATOM 0 H TYR A 155 3.512 -9.769 -8.916 1.00 1.00 H new ATOM 0 HA TYR A 155 3.046 -8.346 -6.370 1.00 1.00 H new ATOM 0 HB2 TYR A 155 2.204 -7.843 -9.017 1.00 1.00 H new ATOM 0 HB3 TYR A 155 0.787 -8.477 -8.204 1.00 1.00 H new ATOM 0 HD1 TYR A 155 0.600 -7.436 -5.631 1.00 1.00 H new ATOM 0 HD2 TYR A 155 2.367 -5.531 -9.007 1.00 1.00 H new ATOM 0 HE1 TYR A 155 0.175 -5.241 -4.612 1.00 1.00 H new ATOM 0 HE2 TYR A 155 1.945 -3.334 -7.990 1.00 1.00 H new ATOM 0 HH TYR A 155 1.543 -2.327 -5.852 1.00 1.00 H new ATOM 2438 N GLU A 156 1.543 -10.037 -5.358 1.00 1.00 N ATOM 2439 CA GLU A 156 0.770 -11.074 -4.705 1.00 1.00 C ATOM 2440 C GLU A 156 -0.253 -10.473 -3.742 1.00 1.00 C ATOM 2441 O GLU A 156 0.004 -9.431 -3.120 1.00 1.00 O ATOM 2442 CB GLU A 156 1.695 -12.034 -3.963 1.00 1.00 C ATOM 2443 CG GLU A 156 2.645 -12.790 -4.883 1.00 1.00 C ATOM 2444 CD GLU A 156 4.091 -12.652 -4.456 1.00 1.00 C ATOM 2445 OE1 GLU A 156 4.573 -11.503 -4.370 1.00 1.00 O ATOM 2446 OE2 GLU A 156 4.747 -13.689 -4.222 1.00 1.00 O ATOM 0 H GLU A 156 1.852 -9.291 -4.735 1.00 1.00 H new ATOM 0 HA GLU A 156 0.228 -11.627 -5.472 1.00 1.00 H new ATOM 0 HB2 GLU A 156 2.278 -11.473 -3.232 1.00 1.00 H new ATOM 0 HB3 GLU A 156 1.092 -12.751 -3.407 1.00 1.00 H new ATOM 0 HG2 GLU A 156 2.372 -13.845 -4.896 1.00 1.00 H new ATOM 0 HG3 GLU A 156 2.532 -12.419 -5.902 1.00 1.00 H new ATOM 2453 N VAL A 157 -1.389 -11.138 -3.608 1.00 1.00 N ATOM 2454 CA VAL A 157 -2.447 -10.699 -2.708 1.00 1.00 C ATOM 2455 C VAL A 157 -2.725 -11.772 -1.651 1.00 1.00 C ATOM 2456 O VAL A 157 -2.912 -12.950 -1.982 1.00 1.00 O ATOM 2457 CB VAL A 157 -3.750 -10.400 -3.482 1.00 1.00 C ATOM 2458 CG1 VAL A 157 -4.841 -9.906 -2.539 1.00 1.00 C ATOM 2459 CG2 VAL A 157 -3.491 -9.379 -4.587 1.00 1.00 C ATOM 0 H VAL A 157 -1.605 -11.995 -4.118 1.00 1.00 H new ATOM 0 HA VAL A 157 -2.109 -9.784 -2.222 1.00 1.00 H new ATOM 0 HB VAL A 157 -4.095 -11.327 -3.941 1.00 1.00 H new ATOM 0 HG11 VAL A 157 -5.748 -9.702 -3.107 1.00 1.00 H new ATOM 0 HG12 VAL A 157 -5.047 -10.669 -1.789 1.00 1.00 H new ATOM 0 HG13 VAL A 157 -4.509 -8.992 -2.046 1.00 1.00 H new ATOM 0 HG21 VAL A 157 -4.419 -9.179 -5.123 1.00 1.00 H new ATOM 0 HG22 VAL A 157 -3.120 -8.453 -4.147 1.00 1.00 H new ATOM 0 HG23 VAL A 157 -2.749 -9.774 -5.281 1.00 1.00 H new ATOM 2469 N TRP A 158 -2.724 -11.359 -0.388 1.00 1.00 N ATOM 2470 CA TRP A 158 -2.962 -12.276 0.722 1.00 1.00 C ATOM 2471 C TRP A 158 -4.258 -11.973 1.453 1.00 1.00 C ATOM 2472 O TRP A 158 -4.640 -10.817 1.605 1.00 1.00 O ATOM 2473 CB TRP A 158 -1.791 -12.231 1.707 1.00 1.00 C ATOM 2474 CG TRP A 158 -0.490 -12.646 1.090 1.00 1.00 C ATOM 2475 CD1 TRP A 158 0.103 -12.081 -0.002 1.00 1.00 C ATOM 2476 CD2 TRP A 158 0.380 -13.701 1.518 1.00 1.00 C ATOM 2477 NE1 TRP A 158 1.287 -12.721 -0.281 1.00 1.00 N ATOM 2478 CE2 TRP A 158 1.479 -13.719 0.638 1.00 1.00 C ATOM 2479 CE3 TRP A 158 0.336 -14.632 2.560 1.00 1.00 C ATOM 2480 CZ2 TRP A 158 2.523 -14.632 0.769 1.00 1.00 C ATOM 2481 CZ3 TRP A 158 1.373 -15.538 2.688 1.00 1.00 C ATOM 2482 CH2 TRP A 158 2.453 -15.531 1.797 1.00 1.00 C ATOM 0 H TRP A 158 -2.561 -10.392 -0.107 1.00 1.00 H new ATOM 0 HA TRP A 158 -3.049 -13.276 0.297 1.00 1.00 H new ATOM 0 HB2 TRP A 158 -1.694 -11.219 2.101 1.00 1.00 H new ATOM 0 HB3 TRP A 158 -2.010 -12.883 2.553 1.00 1.00 H new ATOM 0 HD1 TRP A 158 -0.300 -11.252 -0.565 1.00 1.00 H new ATOM 0 HE1 TRP A 158 1.920 -12.491 -1.047 1.00 1.00 H new ATOM 0 HE3 TRP A 158 -0.493 -14.643 3.252 1.00 1.00 H new ATOM 0 HZ2 TRP A 158 3.357 -14.630 0.083 1.00 1.00 H new ATOM 0 HZ3 TRP A 158 1.349 -16.263 3.488 1.00 1.00 H new ATOM 0 HH2 TRP A 158 3.248 -16.251 1.924 1.00 1.00 H new ATOM 2493 N GLN A 159 -4.919 -13.018 1.914 1.00 1.00 N ATOM 2494 CA GLN A 159 -6.179 -12.873 2.655 1.00 1.00 C ATOM 2495 C GLN A 159 -6.203 -13.833 3.840 1.00 1.00 C ATOM 2496 O GLN A 159 -5.550 -14.867 3.811 1.00 1.00 O ATOM 2497 CB GLN A 159 -7.357 -13.145 1.728 1.00 1.00 C ATOM 2498 CG GLN A 159 -7.391 -12.221 0.528 1.00 1.00 C ATOM 2499 CD GLN A 159 -8.786 -12.076 -0.048 1.00 1.00 C ATOM 2500 OE1 GLN A 159 -9.208 -10.980 -0.414 1.00 1.00 O ATOM 2501 NE2 GLN A 159 -9.516 -13.184 -0.115 1.00 1.00 N ATOM 0 H GLN A 159 -4.612 -13.983 1.793 1.00 1.00 H new ATOM 0 HA GLN A 159 -6.256 -11.854 3.033 1.00 1.00 H new ATOM 0 HB2 GLN A 159 -7.310 -14.178 1.383 1.00 1.00 H new ATOM 0 HB3 GLN A 159 -8.286 -13.038 2.289 1.00 1.00 H new ATOM 0 HG2 GLN A 159 -7.016 -11.239 0.818 1.00 1.00 H new ATOM 0 HG3 GLN A 159 -6.721 -12.604 -0.242 1.00 1.00 H new ATOM 0 HE21 GLN A 159 -9.125 -14.072 0.200 1.00 1.00 H new ATOM 0 HE22 GLN A 159 -10.467 -13.147 -0.481 1.00 1.00 H new ATOM 2510 N LYS A 160 -6.962 -13.479 4.872 1.00 1.00 N ATOM 2511 CA LYS A 160 -7.069 -14.311 6.062 1.00 1.00 C ATOM 2512 C LYS A 160 -7.772 -15.633 5.762 1.00 1.00 C ATOM 2513 O LYS A 160 -8.785 -15.665 5.070 1.00 1.00 O ATOM 2514 CB LYS A 160 -7.807 -13.552 7.170 1.00 1.00 C ATOM 2515 CG LYS A 160 -7.474 -14.032 8.568 1.00 1.00 C ATOM 2516 CD LYS A 160 -8.706 -14.029 9.457 1.00 1.00 C ATOM 2517 CE LYS A 160 -9.394 -15.377 9.459 1.00 1.00 C ATOM 2518 NZ LYS A 160 -10.876 -15.254 9.544 1.00 1.00 N ATOM 0 H LYS A 160 -7.512 -12.621 4.907 1.00 1.00 H new ATOM 0 HA LYS A 160 -6.059 -14.545 6.400 1.00 1.00 H new ATOM 0 HB2 LYS A 160 -7.566 -12.492 7.093 1.00 1.00 H new ATOM 0 HB3 LYS A 160 -8.881 -13.648 7.010 1.00 1.00 H new ATOM 0 HG2 LYS A 160 -7.059 -15.039 8.521 1.00 1.00 H new ATOM 0 HG3 LYS A 160 -6.707 -13.391 9.003 1.00 1.00 H new ATOM 0 HD2 LYS A 160 -8.420 -13.764 10.475 1.00 1.00 H new ATOM 0 HD3 LYS A 160 -9.402 -13.265 9.112 1.00 1.00 H new ATOM 0 HE2 LYS A 160 -9.128 -15.920 8.552 1.00 1.00 H new ATOM 0 HE3 LYS A 160 -9.031 -15.966 10.301 1.00 1.00 H new ATOM 0 HZ1 LYS A 160 -11.304 -16.202 9.542 1.00 1.00 H new ATOM 0 HZ2 LYS A 160 -11.134 -14.760 10.422 1.00 1.00 H new ATOM 0 HZ3 LYS A 160 -11.227 -14.714 8.727 1.00 1.00 H new ATOM 2532 N LYS A 161 -7.214 -16.725 6.284 1.00 1.00 N ATOM 2533 CA LYS A 161 -7.789 -18.056 6.068 1.00 1.00 C ATOM 2534 C LYS A 161 -8.139 -18.717 7.407 1.00 1.00 C ATOM 2535 O LYS A 161 -7.388 -18.616 8.385 1.00 1.00 O ATOM 2536 CB LYS A 161 -6.802 -18.919 5.293 1.00 1.00 C ATOM 2537 CG LYS A 161 -5.393 -18.916 5.879 1.00 1.00 C ATOM 2538 CD LYS A 161 -4.855 -20.329 6.045 1.00 1.00 C ATOM 2539 CE LYS A 161 -3.867 -20.694 4.941 1.00 1.00 C ATOM 2540 NZ LYS A 161 -3.619 -22.169 4.883 1.00 1.00 N ATOM 0 H LYS A 161 -6.370 -16.717 6.856 1.00 1.00 H new ATOM 0 HA LYS A 161 -8.707 -17.955 5.490 1.00 1.00 H new ATOM 0 HB2 LYS A 161 -7.172 -19.944 5.266 1.00 1.00 H new ATOM 0 HB3 LYS A 161 -6.758 -18.568 4.262 1.00 1.00 H new ATOM 0 HG2 LYS A 161 -4.729 -18.347 5.229 1.00 1.00 H new ATOM 0 HG3 LYS A 161 -5.401 -18.413 6.846 1.00 1.00 H new ATOM 0 HD2 LYS A 161 -4.366 -20.420 7.015 1.00 1.00 H new ATOM 0 HD3 LYS A 161 -5.684 -21.036 6.039 1.00 1.00 H new ATOM 0 HE2 LYS A 161 -4.253 -20.352 3.980 1.00 1.00 H new ATOM 0 HE3 LYS A 161 -2.924 -20.173 5.110 1.00 1.00 H new ATOM 0 HZ1 LYS A 161 -2.943 -22.378 4.121 1.00 1.00 H new ATOM 0 HZ2 LYS A 161 -3.228 -22.491 5.791 1.00 1.00 H new ATOM 0 HZ3 LYS A 161 -4.514 -22.664 4.697 1.00 1.00 H new ATOM 2554 N ALA A 162 -9.295 -19.392 7.441 1.00 1.00 N ATOM 2555 CA ALA A 162 -9.739 -20.075 8.652 1.00 1.00 C ATOM 2556 C ALA A 162 -9.429 -21.562 8.589 1.00 1.00 C ATOM 2557 O ALA A 162 -10.280 -22.373 9.033 1.00 1.00 O ATOM 2558 CB ALA A 162 -11.233 -19.844 8.873 1.00 1.00 C ATOM 2559 OXT ALA A 162 -8.348 -21.915 8.082 1.00 1.00 O ATOM 0 H ALA A 162 -9.932 -19.477 6.649 1.00 1.00 H new ATOM 0 HA ALA A 162 -9.192 -19.657 9.497 1.00 1.00 H new ATOM 0 HB1 ALA A 162 -11.551 -20.359 9.780 1.00 1.00 H new ATOM 0 HB2 ALA A 162 -11.425 -18.776 8.976 1.00 1.00 H new ATOM 0 HB3 ALA A 162 -11.791 -20.232 8.021 1.00 1.00 H new TER 2565 ALA A 162 HETATM 2566 PA NDP A 170 3.894 5.440 10.358 1.00 1.00 P HETATM 2567 O1A NDP A 170 3.777 3.989 10.579 1.00 1.00 O HETATM 2568 O2A NDP A 170 3.458 5.959 9.054 1.00 1.00 O HETATM 2569 O5B NDP A 170 3.241 6.252 11.563 1.00 1.00 O HETATM 2570 C5B NDP A 170 1.962 6.894 11.406 1.00 1.00 C HETATM 2571 C4B NDP A 170 1.847 8.075 12.340 1.00 1.00 C HETATM 2572 O4B NDP A 170 0.600 8.771 12.076 1.00 1.00 O HETATM 2573 C3B NDP A 170 1.829 7.725 13.829 1.00 1.00 C HETATM 2574 O3B NDP A 170 3.142 7.860 14.382 1.00 1.00 O HETATM 2575 C2B NDP A 170 0.880 8.771 14.411 1.00 1.00 C HETATM 2576 O2B NDP A 170 1.514 10.008 14.676 1.00 1.00 O HETATM 2577 C1B NDP A 170 -0.131 8.917 13.280 1.00 1.00 C HETATM 2578 N9A NDP A 170 -1.189 7.906 13.300 1.00 1.00 N HETATM 2579 C8A NDP A 170 -1.179 6.671 12.710 1.00 1.00 C HETATM 2580 N7A NDP A 170 -2.281 5.985 12.904 1.00 1.00 N HETATM 2581 C5A NDP A 170 -3.065 6.823 13.676 1.00 1.00 C HETATM 2582 C6A NDP A 170 -4.370 6.702 14.181 1.00 1.00 C HETATM 2583 N6A NDP A 170 -5.125 5.606 14.031 1.00 1.00 N HETATM 2584 N1A NDP A 170 -4.885 7.750 14.855 1.00 1.00 N HETATM 2585 C2A NDP A 170 -4.124 8.842 15.020 1.00 1.00 C HETATM 2586 N3A NDP A 170 -2.889 9.074 14.607 1.00 1.00 N HETATM 2587 C4A NDP A 170 -2.409 8.017 13.926 1.00 1.00 C HETATM 2588 O3 NDP A 170 5.464 5.873 10.615 1.00 1.00 O HETATM 2589 PN NDP A 170 6.925 5.357 10.065 1.00 1.00 P HETATM 2590 O1N NDP A 170 7.734 6.544 9.713 1.00 1.00 O HETATM 2591 O2N NDP A 170 7.485 4.418 11.050 1.00 1.00 O HETATM 2592 O5D NDP A 170 6.402 4.599 8.766 1.00 1.00 O HETATM 2593 C5D NDP A 170 5.978 5.339 7.603 1.00 1.00 C HETATM 2594 C4D NDP A 170 7.076 5.358 6.557 1.00 1.00 C HETATM 2595 O4D NDP A 170 7.454 3.992 6.227 1.00 1.00 O HETATM 2596 C3D NDP A 170 6.704 5.997 5.225 1.00 1.00 C HETATM 2597 O3D NDP A 170 6.993 7.391 5.258 1.00 1.00 O HETATM 2598 C2D NDP A 170 7.618 5.279 4.240 1.00 1.00 C HETATM 2599 O2D NDP A 170 8.926 5.839 4.156 1.00 1.00 O HETATM 2600 C1D NDP A 170 7.658 3.870 4.831 1.00 1.00 C HETATM 2601 N1N NDP A 170 6.627 2.991 4.292 1.00 1.00 N HETATM 2602 C2N NDP A 170 6.711 2.048 3.369 1.00 1.00 C HETATM 2603 C3N NDP A 170 5.751 1.294 2.939 1.00 1.00 C HETATM 2604 C7N NDP A 170 6.244 0.408 1.914 1.00 1.00 C HETATM 2605 O7N NDP A 170 6.086 -0.796 2.426 1.00 1.00 O HETATM 2606 N7N NDP A 170 6.766 0.669 0.685 1.00 1.00 N HETATM 2607 C4N NDP A 170 4.385 1.491 3.544 1.00 1.00 C HETATM 2608 C5N NDP A 170 4.231 2.499 4.545 1.00 1.00 C HETATM 2609 C6N NDP A 170 5.281 3.289 4.974 1.00 1.00 C HETATM 2610 P2B NDP A 170 2.172 11.084 13.576 1.00 1.00 P HETATM 2611 O1X NDP A 170 2.587 12.194 14.614 1.00 1.00 O HETATM 2612 O2X NDP A 170 3.411 10.311 13.145 1.00 1.00 O HETATM 2613 O3X NDP A 170 0.911 11.518 12.831 1.00 1.00 O HETATM 0 HO3N NDP A 170 7.072 7.687 6.189 1.00 1.00 H new HETATM 0 HO3A NDP A 170 3.514 8.732 14.132 1.00 1.00 H new HETATM 0 HO2N NDP A 170 8.899 6.777 4.439 1.00 1.00 H new HETATM 0 H72N NDP A 170 7.067 -0.099 0.085 1.00 1.00 H new HETATM 0 H71N NDP A 170 6.856 1.633 0.363 1.00 1.00 H new HETATM 0 H62A NDP A 170 -6.067 5.578 14.421 1.00 1.00 H new HETATM 0 H61A NDP A 170 -4.758 4.799 13.527 1.00 1.00 H new HETATM 0 H52N NDP A 170 5.078 4.888 7.186 1.00 1.00 H new HETATM 0 H52A NDP A 170 1.838 7.225 10.375 1.00 1.00 H new HETATM 0 H51N NDP A 170 5.721 6.359 7.888 1.00 1.00 H new HETATM 0 H51A NDP A 170 1.163 6.181 11.610 1.00 1.00 H new HETATM 0 H42N NDP A 170 3.691 1.717 2.734 1.00 1.00 H new HETATM 0 H41N NDP A 170 4.072 0.541 3.977 1.00 1.00 H new HETATM 0 H8A NDP A 170 -0.335 6.293 12.133 1.00 1.00 H new HETATM 0 H6N NDP A 170 5.164 4.061 5.735 1.00 1.00 H new HETATM 0 H5N NDP A 170 3.247 2.651 4.988 1.00 1.00 H new HETATM 0 H4D NDP A 170 7.867 5.951 7.016 1.00 1.00 H new HETATM 0 H4B NDP A 170 2.738 8.672 12.146 1.00 1.00 H new HETATM 0 H3D NDP A 170 5.648 5.908 4.972 1.00 1.00 H new HETATM 0 H3B NDP A 170 1.516 6.702 14.038 1.00 1.00 H new HETATM 0 H2N NDP A 170 7.693 1.889 2.923 1.00 1.00 H new HETATM 0 H2D NDP A 170 7.256 5.340 3.214 1.00 1.00 H new HETATM 0 H2B NDP A 170 0.462 8.477 15.374 1.00 1.00 H new HETATM 0 H2A NDP A 170 -4.591 9.656 15.575 1.00 1.00 H new HETATM 0 H1D NDP A 170 8.621 3.425 4.579 1.00 1.00 H new HETATM 0 H1B NDP A 170 -0.627 9.882 13.382 1.00 1.00 H new