USER MOD reduce.3.24.130724 H: found=0, std=0, add=738, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 741 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 HIS : no HD1:sc= 0.66 K(o=1.1,f=-8.2!) USER MOD Set 1.2: B 95 THR OG1 : rot -33:sc= 0.438 USER MOD Set 2.1: A 10 CYS SG : rot 180:sc= -1.2! USER MOD Set 2.2: A 81 THR OG1 : rot -76:sc= 1.38 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.0516 X(o=-0.052,f=-0.0054) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.65) USER MOD Single : A 14 GLN : amide:sc= -0.0367 K(o=-0.037,f=-1.6!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc=-0.00921 X(o=-0.0092,f=-0.28) USER MOD Single : A 23 THR OG1 : rot -66:sc= 0.596 USER MOD Single : A 25 SER OG : rot 180:sc=-0.00323 USER MOD Single : A 28 ASN : amide:sc= -2.09 K(o=-2.1,f=-3.7) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0923) USER MOD Single : A 42 MET CE :methyl 164:sc= 0 (180deg=-0.209) USER MOD Single : A 47 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.055) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0.891 K(o=0.89,f=-7.8!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 63 SER OG : rot 86:sc= 0.298 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0503) USER MOD Single : A 73 LYS NZ :NH3+ 144:sc= -0.043 (180deg=-0.245) USER MOD Single : A 74 SER OG : rot 3:sc= 0.784 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.252 K(o=-0.25,f=-4!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : B 92 ASN :FLIP amide:sc= -1.04 F(o=-2.5!,f=-1) USER MOD Single : B 93 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0511) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.639 9.347 -17.721 1.00 0.00 N ATOM 2 CA GLY A 1 -3.814 10.827 -17.655 1.00 0.00 C ATOM 3 C GLY A 1 -2.714 11.580 -18.383 1.00 0.00 C ATOM 4 O GLY A 1 -2.802 11.801 -19.592 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.416 8.882 -17.209 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.647 9.040 -18.715 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.732 9.085 -17.285 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.779 11.094 -18.086 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.834 11.140 -16.611 1.00 0.00 H new ATOM 10 N SER A 2 -1.677 11.975 -17.642 1.00 0.00 N ATOM 11 CA SER A 2 -0.550 12.711 -18.215 1.00 0.00 C ATOM 12 C SER A 2 0.333 11.793 -19.067 1.00 0.00 C ATOM 13 O SER A 2 0.030 10.610 -19.238 1.00 0.00 O ATOM 14 CB SER A 2 0.280 13.356 -17.097 1.00 0.00 C ATOM 15 OG SER A 2 0.702 12.390 -16.148 1.00 0.00 O ATOM 0 H SER A 2 -1.595 11.797 -16.641 1.00 0.00 H new ATOM 0 HA SER A 2 -0.948 13.493 -18.862 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.150 13.852 -17.527 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.311 14.125 -16.599 1.00 0.00 H new ATOM 0 HG SER A 2 1.230 12.828 -15.448 1.00 0.00 H new ATOM 21 N HIS A 3 1.425 12.346 -19.600 1.00 0.00 N ATOM 22 CA HIS A 3 2.348 11.575 -20.435 1.00 0.00 C ATOM 23 C HIS A 3 3.115 10.544 -19.599 1.00 0.00 C ATOM 24 O HIS A 3 2.852 10.377 -18.405 1.00 0.00 O ATOM 25 CB HIS A 3 3.324 12.514 -21.161 1.00 0.00 C ATOM 26 CG HIS A 3 3.365 12.313 -22.647 1.00 0.00 C ATOM 27 ND1 HIS A 3 3.354 13.357 -23.550 1.00 0.00 N ATOM 28 CD2 HIS A 3 3.425 11.179 -23.390 1.00 0.00 C ATOM 29 CE1 HIS A 3 3.406 12.875 -24.780 1.00 0.00 C ATOM 30 NE2 HIS A 3 3.450 11.557 -24.711 1.00 0.00 N ATOM 0 H HIS A 3 1.691 13.322 -19.469 1.00 0.00 H new ATOM 0 HA HIS A 3 1.763 11.036 -21.180 1.00 0.00 H new ATOM 0 HB2 HIS A 3 3.044 13.546 -20.951 1.00 0.00 H new ATOM 0 HB3 HIS A 3 4.325 12.366 -20.756 1.00 0.00 H new ATOM 0 HD2 HIS A 3 3.449 10.167 -23.013 1.00 0.00 H new ATOM 0 HE1 HIS A 3 3.412 13.460 -25.688 1.00 0.00 H new ATOM 0 HE2 HIS A 3 3.495 10.923 -25.508 1.00 0.00 H new ATOM 39 N MET A 4 4.059 9.844 -20.231 1.00 0.00 N ATOM 40 CA MET A 4 4.849 8.825 -19.545 1.00 0.00 C ATOM 41 C MET A 4 6.250 9.331 -19.212 1.00 0.00 C ATOM 42 O MET A 4 7.099 9.470 -20.096 1.00 0.00 O ATOM 43 CB MET A 4 4.940 7.562 -20.406 1.00 0.00 C ATOM 44 CG MET A 4 3.620 6.823 -20.545 1.00 0.00 C ATOM 45 SD MET A 4 3.841 5.057 -20.825 1.00 0.00 S ATOM 46 CE MET A 4 3.221 4.901 -22.498 1.00 0.00 C ATOM 0 H MET A 4 4.293 9.965 -21.216 1.00 0.00 H new ATOM 0 HA MET A 4 4.346 8.589 -18.607 1.00 0.00 H new ATOM 0 HB2 MET A 4 5.300 7.834 -21.398 1.00 0.00 H new ATOM 0 HB3 MET A 4 5.679 6.889 -19.972 1.00 0.00 H new ATOM 0 HG2 MET A 4 3.027 6.973 -19.643 1.00 0.00 H new ATOM 0 HG3 MET A 4 3.054 7.250 -21.373 1.00 0.00 H new ATOM 0 HE1 MET A 4 3.291 3.861 -22.817 1.00 0.00 H new ATOM 0 HE2 MET A 4 2.180 5.221 -22.531 1.00 0.00 H new ATOM 0 HE3 MET A 4 3.814 5.526 -23.166 1.00 0.00 H new ATOM 56 N GLY A 5 6.486 9.600 -17.927 1.00 0.00 N ATOM 57 CA GLY A 5 7.786 10.083 -17.484 1.00 0.00 C ATOM 58 C GLY A 5 8.576 9.030 -16.716 1.00 0.00 C ATOM 59 O GLY A 5 9.805 9.008 -16.779 1.00 0.00 O ATOM 0 H GLY A 5 5.797 9.491 -17.183 1.00 0.00 H new ATOM 0 HA2 GLY A 5 8.364 10.404 -18.351 1.00 0.00 H new ATOM 0 HA3 GLY A 5 7.647 10.960 -16.851 1.00 0.00 H new ATOM 63 N LEU A 6 7.869 8.158 -15.989 1.00 0.00 N ATOM 64 CA LEU A 6 8.511 7.101 -15.208 1.00 0.00 C ATOM 65 C LEU A 6 7.919 5.731 -15.546 1.00 0.00 C ATOM 66 O LEU A 6 7.001 5.626 -16.364 1.00 0.00 O ATOM 67 CB LEU A 6 8.354 7.383 -13.710 1.00 0.00 C ATOM 68 CG LEU A 6 9.284 8.462 -13.147 1.00 0.00 C ATOM 69 CD1 LEU A 6 8.480 9.582 -12.501 1.00 0.00 C ATOM 70 CD2 LEU A 6 10.262 7.859 -12.147 1.00 0.00 C ATOM 0 H LEU A 6 6.851 8.165 -15.927 1.00 0.00 H new ATOM 0 HA LEU A 6 9.571 7.088 -15.462 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.323 7.679 -13.519 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.526 6.456 -13.162 1.00 0.00 H new ATOM 0 HG LEU A 6 9.855 8.885 -13.973 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.160 10.338 -12.108 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.825 10.035 -13.245 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.879 9.176 -11.687 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.914 8.641 -11.759 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.708 7.406 -11.324 1.00 0.00 H new ATOM 0 HD23 LEU A 6 10.865 7.097 -12.642 1.00 0.00 H new ATOM 82 N VAL A 7 8.446 4.684 -14.906 1.00 0.00 N ATOM 83 CA VAL A 7 7.970 3.319 -15.132 1.00 0.00 C ATOM 84 C VAL A 7 7.054 2.863 -13.994 1.00 0.00 C ATOM 85 O VAL A 7 7.448 2.875 -12.826 1.00 0.00 O ATOM 86 CB VAL A 7 9.141 2.318 -15.270 1.00 0.00 C ATOM 87 CG1 VAL A 7 8.631 0.939 -15.670 1.00 0.00 C ATOM 88 CG2 VAL A 7 10.171 2.819 -16.274 1.00 0.00 C ATOM 0 H VAL A 7 9.203 4.757 -14.227 1.00 0.00 H new ATOM 0 HA VAL A 7 7.410 3.333 -16.067 1.00 0.00 H new ATOM 0 HB VAL A 7 9.626 2.235 -14.298 1.00 0.00 H new ATOM 0 HG11 VAL A 7 9.472 0.252 -15.761 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.943 0.571 -14.909 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.112 1.006 -16.626 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.984 2.097 -16.352 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.699 2.941 -17.249 1.00 0.00 H new ATOM 0 HG23 VAL A 7 10.568 3.778 -15.940 1.00 0.00 H new ATOM 98 N GLN A 8 5.834 2.455 -14.345 1.00 0.00 N ATOM 99 CA GLN A 8 4.860 1.992 -13.356 1.00 0.00 C ATOM 100 C GLN A 8 4.825 0.462 -13.294 1.00 0.00 C ATOM 101 O GLN A 8 5.033 -0.213 -14.304 1.00 0.00 O ATOM 102 CB GLN A 8 3.468 2.539 -13.693 1.00 0.00 C ATOM 103 CG GLN A 8 2.426 2.288 -12.611 1.00 0.00 C ATOM 104 CD GLN A 8 1.251 3.246 -12.697 1.00 0.00 C ATOM 105 OE1 GLN A 8 1.409 4.456 -12.534 1.00 0.00 O ATOM 106 NE2 GLN A 8 0.062 2.709 -12.955 1.00 0.00 N ATOM 0 H GLN A 8 5.497 2.436 -15.307 1.00 0.00 H new ATOM 0 HA GLN A 8 5.163 2.365 -12.378 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.543 3.612 -13.869 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.127 2.087 -14.624 1.00 0.00 H new ATOM 0 HG2 GLN A 8 2.062 1.264 -12.693 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.895 2.382 -11.632 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -0.025 1.701 -13.083 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -0.763 3.305 -13.024 1.00 0.00 H new ATOM 115 N ARG A 9 4.567 -0.075 -12.099 1.00 0.00 N ATOM 116 CA ARG A 9 4.514 -1.523 -11.903 1.00 0.00 C ATOM 117 C ARG A 9 3.520 -1.911 -10.804 1.00 0.00 C ATOM 118 O ARG A 9 3.387 -1.216 -9.795 1.00 0.00 O ATOM 119 CB ARG A 9 5.907 -2.057 -11.557 1.00 0.00 C ATOM 120 CG ARG A 9 6.270 -3.342 -12.283 1.00 0.00 C ATOM 121 CD ARG A 9 7.080 -4.273 -11.394 1.00 0.00 C ATOM 122 NE ARG A 9 7.282 -5.583 -12.011 1.00 0.00 N ATOM 123 CZ ARG A 9 8.190 -5.835 -12.959 1.00 0.00 C ATOM 124 NH1 ARG A 9 8.991 -4.865 -13.403 1.00 0.00 N ATOM 125 NH2 ARG A 9 8.302 -7.059 -13.462 1.00 0.00 N ATOM 0 H ARG A 9 4.392 0.471 -11.255 1.00 0.00 H new ATOM 0 HA ARG A 9 4.172 -1.971 -12.836 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.648 -1.294 -11.796 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.963 -2.230 -10.482 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.360 -3.847 -12.608 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.841 -3.105 -13.181 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.048 -3.820 -11.181 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.569 -4.397 -10.439 1.00 0.00 H new ATOM 0 HE ARG A 9 6.692 -6.354 -11.698 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.913 -3.923 -13.019 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.681 -5.065 -14.127 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.695 -7.806 -13.125 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.995 -7.252 -14.185 1.00 0.00 H new ATOM 139 N CYS A 10 2.832 -3.037 -11.008 1.00 0.00 N ATOM 140 CA CYS A 10 1.856 -3.537 -10.040 1.00 0.00 C ATOM 141 C CYS A 10 2.390 -4.775 -9.317 1.00 0.00 C ATOM 142 O CYS A 10 2.996 -5.651 -9.937 1.00 0.00 O ATOM 143 CB CYS A 10 0.536 -3.876 -10.739 1.00 0.00 C ATOM 144 SG CYS A 10 -0.247 -2.473 -11.567 1.00 0.00 S ATOM 0 H CYS A 10 2.934 -3.621 -11.838 1.00 0.00 H new ATOM 0 HA CYS A 10 1.680 -2.752 -9.304 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.718 -4.661 -11.473 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.158 -4.282 -10.003 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.353 -2.862 -12.128 1.00 0.00 H new ATOM 150 N VAL A 11 2.159 -4.843 -8.005 1.00 0.00 N ATOM 151 CA VAL A 11 2.617 -5.973 -7.195 1.00 0.00 C ATOM 152 C VAL A 11 1.494 -6.504 -6.301 1.00 0.00 C ATOM 153 O VAL A 11 0.835 -5.737 -5.598 1.00 0.00 O ATOM 154 CB VAL A 11 3.827 -5.589 -6.313 1.00 0.00 C ATOM 155 CG1 VAL A 11 5.043 -5.283 -7.176 1.00 0.00 C ATOM 156 CG2 VAL A 11 3.489 -4.405 -5.416 1.00 0.00 C ATOM 0 H VAL A 11 1.656 -4.127 -7.480 1.00 0.00 H new ATOM 0 HA VAL A 11 2.923 -6.753 -7.892 1.00 0.00 H new ATOM 0 HB VAL A 11 4.067 -6.439 -5.674 1.00 0.00 H new ATOM 0 HG11 VAL A 11 5.884 -5.015 -6.537 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.301 -6.163 -7.766 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.815 -4.452 -7.844 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.355 -4.153 -4.805 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.218 -3.548 -6.032 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.652 -4.666 -4.769 1.00 0.00 H new ATOM 166 N ILE A 12 1.284 -7.821 -6.329 1.00 0.00 N ATOM 167 CA ILE A 12 0.240 -8.449 -5.518 1.00 0.00 C ATOM 168 C ILE A 12 0.815 -8.971 -4.201 1.00 0.00 C ATOM 169 O ILE A 12 1.822 -9.680 -4.195 1.00 0.00 O ATOM 170 CB ILE A 12 -0.442 -9.616 -6.271 1.00 0.00 C ATOM 171 CG1 ILE A 12 -0.860 -9.180 -7.682 1.00 0.00 C ATOM 172 CG2 ILE A 12 -1.648 -10.121 -5.488 1.00 0.00 C ATOM 173 CD1 ILE A 12 0.163 -9.510 -8.748 1.00 0.00 C ATOM 0 H ILE A 12 1.821 -8.472 -6.902 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.506 -7.682 -5.312 1.00 0.00 H new ATOM 0 HB ILE A 12 0.276 -10.431 -6.365 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.805 -9.660 -7.936 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.039 -8.105 -7.683 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.117 -10.942 -6.031 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.325 -10.472 -4.508 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.367 -9.311 -5.364 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.201 -9.173 -9.718 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.103 -9.008 -8.518 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.325 -10.588 -8.776 1.00 0.00 H new ATOM 185 N ILE A 13 0.174 -8.609 -3.088 1.00 0.00 N ATOM 186 CA ILE A 13 0.629 -9.037 -1.766 1.00 0.00 C ATOM 187 C ILE A 13 -0.437 -9.861 -1.042 1.00 0.00 C ATOM 188 O ILE A 13 -1.596 -9.456 -0.955 1.00 0.00 O ATOM 189 CB ILE A 13 1.011 -7.829 -0.879 1.00 0.00 C ATOM 190 CG1 ILE A 13 1.874 -6.834 -1.663 1.00 0.00 C ATOM 191 CG2 ILE A 13 1.742 -8.298 0.374 1.00 0.00 C ATOM 192 CD1 ILE A 13 2.224 -5.587 -0.880 1.00 0.00 C ATOM 0 H ILE A 13 -0.660 -8.022 -3.077 1.00 0.00 H new ATOM 0 HA ILE A 13 1.510 -9.657 -1.931 1.00 0.00 H new ATOM 0 HB ILE A 13 0.095 -7.323 -0.576 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.795 -7.329 -1.972 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.346 -6.546 -2.572 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.004 -7.435 0.987 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.096 -8.966 0.944 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.650 -8.829 0.088 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.836 -4.929 -1.498 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.309 -5.068 -0.594 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.780 -5.864 0.016 1.00 0.00 H new ATOM 204 N GLN A 14 -0.026 -11.015 -0.512 1.00 0.00 N ATOM 205 CA GLN A 14 -0.929 -11.901 0.222 1.00 0.00 C ATOM 206 C GLN A 14 -0.691 -11.768 1.727 1.00 0.00 C ATOM 207 O GLN A 14 0.367 -12.151 2.228 1.00 0.00 O ATOM 208 CB GLN A 14 -0.717 -13.356 -0.212 1.00 0.00 C ATOM 209 CG GLN A 14 -2.008 -14.154 -0.336 1.00 0.00 C ATOM 210 CD GLN A 14 -1.782 -15.657 -0.321 1.00 0.00 C ATOM 211 OE1 GLN A 14 -0.671 -16.131 -0.078 1.00 0.00 O ATOM 212 NE2 GLN A 14 -2.840 -16.419 -0.583 1.00 0.00 N ATOM 0 H GLN A 14 0.932 -11.358 -0.579 1.00 0.00 H new ATOM 0 HA GLN A 14 -1.956 -11.612 -0.002 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -0.200 -13.368 -1.171 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -0.064 -13.849 0.508 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -2.675 -13.884 0.483 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.512 -13.877 -1.262 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -3.743 -15.988 -0.779 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.748 -17.435 -0.588 1.00 0.00 H new ATOM 221 N LYS A 15 -1.677 -11.225 2.442 1.00 0.00 N ATOM 222 CA LYS A 15 -1.569 -11.043 3.890 1.00 0.00 C ATOM 223 C LYS A 15 -1.455 -12.385 4.611 1.00 0.00 C ATOM 224 O LYS A 15 -2.086 -13.367 4.218 1.00 0.00 O ATOM 225 CB LYS A 15 -2.781 -10.273 4.423 1.00 0.00 C ATOM 226 CG LYS A 15 -2.578 -9.699 5.819 1.00 0.00 C ATOM 227 CD LYS A 15 -3.692 -10.118 6.767 1.00 0.00 C ATOM 228 CE LYS A 15 -3.645 -11.611 7.063 1.00 0.00 C ATOM 229 NZ LYS A 15 -4.529 -11.984 8.203 1.00 0.00 N ATOM 0 H LYS A 15 -2.559 -10.904 2.042 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.663 -10.470 4.084 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.014 -9.459 3.736 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.645 -10.937 4.435 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.619 -10.034 6.214 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.538 -8.611 5.763 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.607 -9.559 7.699 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.657 -9.863 6.330 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.946 -12.166 6.175 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.620 -11.903 7.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.466 -13.009 8.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.227 -11.475 9.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.512 -11.729 7.978 1.00 0.00 H new ATOM 243 N ASP A 16 -0.648 -12.411 5.670 1.00 0.00 N ATOM 244 CA ASP A 16 -0.441 -13.623 6.457 1.00 0.00 C ATOM 245 C ASP A 16 -0.376 -13.301 7.950 1.00 0.00 C ATOM 246 O ASP A 16 -0.593 -12.156 8.358 1.00 0.00 O ATOM 247 CB ASP A 16 0.852 -14.316 6.013 1.00 0.00 C ATOM 248 CG ASP A 16 0.602 -15.385 4.967 1.00 0.00 C ATOM 249 OD1 ASP A 16 0.287 -16.531 5.353 1.00 0.00 O ATOM 250 OD2 ASP A 16 0.718 -15.076 3.764 1.00 0.00 O ATOM 0 H ASP A 16 -0.125 -11.601 6.003 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.286 -14.291 6.289 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.541 -13.573 5.612 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.337 -14.765 6.880 1.00 0.00 H new ATOM 255 N ASP A 17 -0.070 -14.315 8.762 1.00 0.00 N ATOM 256 CA ASP A 17 0.034 -14.140 10.213 1.00 0.00 C ATOM 257 C ASP A 17 1.078 -13.079 10.563 1.00 0.00 C ATOM 258 O ASP A 17 0.934 -12.358 11.552 1.00 0.00 O ATOM 259 CB ASP A 17 0.392 -15.472 10.886 1.00 0.00 C ATOM 260 CG ASP A 17 -0.832 -16.247 11.343 1.00 0.00 C ATOM 261 OD1 ASP A 17 -1.881 -16.164 10.666 1.00 0.00 O ATOM 262 OD2 ASP A 17 -0.741 -16.939 12.379 1.00 0.00 O ATOM 0 H ASP A 17 0.110 -15.266 8.440 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.935 -13.804 10.583 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.965 -16.084 10.189 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.036 -15.279 11.744 1.00 0.00 H new ATOM 267 N ASN A 18 2.128 -12.986 9.743 1.00 0.00 N ATOM 268 CA ASN A 18 3.194 -12.008 9.964 1.00 0.00 C ATOM 269 C ASN A 18 2.814 -10.623 9.421 1.00 0.00 C ATOM 270 O ASN A 18 3.463 -9.628 9.749 1.00 0.00 O ATOM 271 CB ASN A 18 4.489 -12.489 9.301 1.00 0.00 C ATOM 272 CG ASN A 18 5.510 -12.978 10.310 1.00 0.00 C ATOM 273 OD1 ASN A 18 5.159 -13.589 11.320 1.00 0.00 O ATOM 274 ND2 ASN A 18 6.783 -12.713 10.042 1.00 0.00 N ATOM 0 H ASN A 18 2.262 -13.576 8.921 1.00 0.00 H new ATOM 0 HA ASN A 18 3.344 -11.916 11.040 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.259 -13.294 8.603 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.920 -11.675 8.718 1.00 0.00 H new ATOM 0 HD21 ASN A 18 7.514 -13.019 10.685 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.030 -12.204 9.193 1.00 0.00 H new ATOM 281 N GLY A 19 1.763 -10.560 8.599 1.00 0.00 N ATOM 282 CA GLY A 19 1.331 -9.290 8.039 1.00 0.00 C ATOM 283 C GLY A 19 1.994 -8.979 6.707 1.00 0.00 C ATOM 284 O GLY A 19 2.668 -9.834 6.130 1.00 0.00 O ATOM 0 H GLY A 19 1.206 -11.365 8.313 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.249 -9.305 7.907 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.554 -8.491 8.746 1.00 0.00 H new ATOM 288 N PHE A 20 1.802 -7.750 6.220 1.00 0.00 N ATOM 289 CA PHE A 20 2.387 -7.325 4.947 1.00 0.00 C ATOM 290 C PHE A 20 3.847 -6.915 5.130 1.00 0.00 C ATOM 291 O PHE A 20 4.731 -7.402 4.422 1.00 0.00 O ATOM 292 CB PHE A 20 1.602 -6.152 4.348 1.00 0.00 C ATOM 293 CG PHE A 20 0.135 -6.424 4.155 1.00 0.00 C ATOM 294 CD1 PHE A 20 -0.317 -7.108 3.035 1.00 0.00 C ATOM 295 CD2 PHE A 20 -0.793 -5.986 5.085 1.00 0.00 C ATOM 296 CE1 PHE A 20 -1.665 -7.350 2.851 1.00 0.00 C ATOM 297 CE2 PHE A 20 -2.143 -6.224 4.904 1.00 0.00 C ATOM 298 CZ PHE A 20 -2.579 -6.906 3.787 1.00 0.00 C ATOM 0 H PHE A 20 1.247 -7.033 6.688 1.00 0.00 H new ATOM 0 HA PHE A 20 2.336 -8.173 4.264 1.00 0.00 H new ATOM 0 HB2 PHE A 20 1.716 -5.284 4.997 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.041 -5.890 3.385 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.393 -7.455 2.299 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -0.458 -5.452 5.962 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.004 -7.886 1.976 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.856 -5.876 5.637 1.00 0.00 H new ATOM 0 HZ PHE A 20 -3.633 -7.093 3.644 1.00 0.00 H new ATOM 308 N GLY A 21 4.084 -6.013 6.084 1.00 0.00 N ATOM 309 CA GLY A 21 5.430 -5.540 6.355 1.00 0.00 C ATOM 310 C GLY A 21 5.879 -4.456 5.393 1.00 0.00 C ATOM 311 O GLY A 21 6.894 -4.608 4.714 1.00 0.00 O ATOM 0 H GLY A 21 3.362 -5.601 6.675 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.477 -5.157 7.374 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.123 -6.379 6.298 1.00 0.00 H new ATOM 315 N LEU A 22 5.124 -3.358 5.330 1.00 0.00 N ATOM 316 CA LEU A 22 5.461 -2.249 4.439 1.00 0.00 C ATOM 317 C LEU A 22 4.989 -0.908 5.004 1.00 0.00 C ATOM 318 O LEU A 22 3.940 -0.825 5.647 1.00 0.00 O ATOM 319 CB LEU A 22 4.856 -2.474 3.051 1.00 0.00 C ATOM 320 CG LEU A 22 3.381 -2.889 3.036 1.00 0.00 C ATOM 321 CD1 LEU A 22 2.485 -1.674 2.835 1.00 0.00 C ATOM 322 CD2 LEU A 22 3.133 -3.928 1.950 1.00 0.00 C ATOM 0 H LEU A 22 4.279 -3.214 5.883 1.00 0.00 H new ATOM 0 HA LEU A 22 6.547 -2.215 4.355 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.963 -1.556 2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.437 -3.242 2.540 1.00 0.00 H new ATOM 0 HG LEU A 22 3.137 -3.335 4.000 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.441 -1.989 2.827 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.644 -0.966 3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.727 -1.196 1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.081 -4.213 1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.393 -3.508 0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.747 -4.808 2.141 1.00 0.00 H new ATOM 334 N THR A 23 5.776 0.137 4.750 1.00 0.00 N ATOM 335 CA THR A 23 5.454 1.481 5.222 1.00 0.00 C ATOM 336 C THR A 23 5.170 2.415 4.045 1.00 0.00 C ATOM 337 O THR A 23 5.959 2.492 3.101 1.00 0.00 O ATOM 338 CB THR A 23 6.609 2.036 6.065 1.00 0.00 C ATOM 339 OG1 THR A 23 7.066 1.072 7.002 1.00 0.00 O ATOM 340 CG2 THR A 23 6.242 3.285 6.839 1.00 0.00 C ATOM 0 H THR A 23 6.644 0.077 4.218 1.00 0.00 H new ATOM 0 HA THR A 23 4.558 1.421 5.840 1.00 0.00 H new ATOM 0 HB THR A 23 7.389 2.286 5.346 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.365 0.902 7.665 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.104 3.624 7.413 1.00 0.00 H new ATOM 0 HG22 THR A 23 5.939 4.068 6.144 1.00 0.00 H new ATOM 0 HG23 THR A 23 5.418 3.064 7.518 1.00 0.00 H new ATOM 348 N VAL A 24 4.044 3.124 4.107 1.00 0.00 N ATOM 349 CA VAL A 24 3.662 4.058 3.045 1.00 0.00 C ATOM 350 C VAL A 24 3.307 5.431 3.612 1.00 0.00 C ATOM 351 O VAL A 24 2.715 5.540 4.689 1.00 0.00 O ATOM 352 CB VAL A 24 2.476 3.527 2.207 1.00 0.00 C ATOM 353 CG1 VAL A 24 2.885 2.286 1.425 1.00 0.00 C ATOM 354 CG2 VAL A 24 1.269 3.237 3.090 1.00 0.00 C ATOM 0 H VAL A 24 3.380 3.071 4.880 1.00 0.00 H new ATOM 0 HA VAL A 24 4.530 4.154 2.393 1.00 0.00 H new ATOM 0 HB VAL A 24 2.191 4.302 1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.037 1.928 0.842 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.708 2.533 0.754 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.203 1.508 2.118 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.449 2.865 2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.535 2.486 3.834 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.958 4.152 3.594 1.00 0.00 H new ATOM 364 N SER A 25 3.678 6.479 2.883 1.00 0.00 N ATOM 365 CA SER A 25 3.407 7.846 3.315 1.00 0.00 C ATOM 366 C SER A 25 2.976 8.718 2.144 1.00 0.00 C ATOM 367 O SER A 25 3.250 8.401 0.988 1.00 0.00 O ATOM 368 CB SER A 25 4.650 8.442 3.971 1.00 0.00 C ATOM 369 OG SER A 25 4.991 7.740 5.153 1.00 0.00 O ATOM 0 H SER A 25 4.167 6.408 1.991 1.00 0.00 H new ATOM 0 HA SER A 25 2.592 7.816 4.038 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.485 8.409 3.271 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.473 9.491 4.206 1.00 0.00 H new ATOM 0 HG SER A 25 5.791 8.141 5.552 1.00 0.00 H new ATOM 375 N GLY A 26 2.304 9.826 2.451 1.00 0.00 N ATOM 376 CA GLY A 26 1.850 10.734 1.410 1.00 0.00 C ATOM 377 C GLY A 26 0.511 10.335 0.822 1.00 0.00 C ATOM 378 O GLY A 26 0.015 9.239 1.081 1.00 0.00 O ATOM 0 H GLY A 26 2.066 10.111 3.401 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.775 11.741 1.820 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.595 10.768 0.615 1.00 0.00 H new ATOM 382 N ASP A 27 -0.075 11.229 0.023 1.00 0.00 N ATOM 383 CA ASP A 27 -1.367 10.964 -0.610 1.00 0.00 C ATOM 384 C ASP A 27 -1.198 10.673 -2.100 1.00 0.00 C ATOM 385 O ASP A 27 -0.081 10.428 -2.548 1.00 0.00 O ATOM 386 CB ASP A 27 -2.317 12.153 -0.401 1.00 0.00 C ATOM 387 CG ASP A 27 -1.894 13.384 -1.184 1.00 0.00 C ATOM 388 OD1 ASP A 27 -0.941 14.069 -0.752 1.00 0.00 O ATOM 389 OD2 ASP A 27 -2.515 13.666 -2.230 1.00 0.00 O ATOM 0 H ASP A 27 0.324 12.141 -0.200 1.00 0.00 H new ATOM 0 HA ASP A 27 -1.800 10.081 -0.140 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.325 11.865 -0.701 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -2.358 12.398 0.660 1.00 0.00 H new ATOM 394 N ASN A 28 -2.326 10.692 -2.846 1.00 0.00 N ATOM 395 CA ASN A 28 -2.354 10.419 -4.298 1.00 0.00 C ATOM 396 C ASN A 28 -1.118 9.624 -4.744 1.00 0.00 C ATOM 397 O ASN A 28 -1.161 8.395 -4.762 1.00 0.00 O ATOM 398 CB ASN A 28 -2.516 11.724 -5.094 1.00 0.00 C ATOM 399 CG ASN A 28 -3.972 12.119 -5.275 1.00 0.00 C ATOM 400 OD1 ASN A 28 -4.806 11.875 -4.401 1.00 0.00 O ATOM 401 ND2 ASN A 28 -4.288 12.727 -6.414 1.00 0.00 N ATOM 0 H ASN A 28 -3.245 10.898 -2.455 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.223 9.795 -4.509 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.986 12.527 -4.581 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.050 11.609 -6.073 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -5.252 13.010 -6.591 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -3.567 12.910 -7.111 1.00 0.00 H new ATOM 408 N PRO A 29 0.023 10.285 -5.052 1.00 0.00 N ATOM 409 CA PRO A 29 1.249 9.576 -5.420 1.00 0.00 C ATOM 410 C PRO A 29 1.947 9.039 -4.166 1.00 0.00 C ATOM 411 O PRO A 29 3.097 9.385 -3.882 1.00 0.00 O ATOM 412 CB PRO A 29 2.085 10.667 -6.089 1.00 0.00 C ATOM 413 CG PRO A 29 1.693 11.914 -5.373 1.00 0.00 C ATOM 414 CD PRO A 29 0.239 11.750 -5.008 1.00 0.00 C ATOM 0 HA PRO A 29 1.081 8.713 -6.064 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.152 10.469 -5.990 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.871 10.736 -7.156 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.304 12.060 -4.482 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.839 12.789 -6.006 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.027 12.155 -4.019 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -0.411 12.271 -5.711 1.00 0.00 H new ATOM 422 N VAL A 30 1.220 8.213 -3.402 1.00 0.00 N ATOM 423 CA VAL A 30 1.732 7.646 -2.156 1.00 0.00 C ATOM 424 C VAL A 30 3.132 7.063 -2.354 1.00 0.00 C ATOM 425 O VAL A 30 3.408 6.422 -3.367 1.00 0.00 O ATOM 426 CB VAL A 30 0.792 6.548 -1.607 1.00 0.00 C ATOM 427 CG1 VAL A 30 1.328 5.977 -0.300 1.00 0.00 C ATOM 428 CG2 VAL A 30 -0.616 7.095 -1.419 1.00 0.00 C ATOM 0 H VAL A 30 0.269 7.923 -3.631 1.00 0.00 H new ATOM 0 HA VAL A 30 1.782 8.459 -1.432 1.00 0.00 H new ATOM 0 HB VAL A 30 0.752 5.739 -2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.649 5.207 0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.313 5.542 -0.470 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.406 6.773 0.440 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.263 6.308 -1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.593 7.925 -0.713 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.002 7.444 -2.377 1.00 0.00 H new ATOM 438 N PHE A 31 4.015 7.292 -1.387 1.00 0.00 N ATOM 439 CA PHE A 31 5.383 6.792 -1.469 1.00 0.00 C ATOM 440 C PHE A 31 5.652 5.729 -0.404 1.00 0.00 C ATOM 441 O PHE A 31 5.369 5.934 0.778 1.00 0.00 O ATOM 442 CB PHE A 31 6.380 7.945 -1.320 1.00 0.00 C ATOM 443 CG PHE A 31 7.771 7.590 -1.759 1.00 0.00 C ATOM 444 CD1 PHE A 31 8.637 6.938 -0.896 1.00 0.00 C ATOM 445 CD2 PHE A 31 8.212 7.905 -3.035 1.00 0.00 C ATOM 446 CE1 PHE A 31 9.917 6.605 -1.299 1.00 0.00 C ATOM 447 CE2 PHE A 31 9.490 7.575 -3.442 1.00 0.00 C ATOM 448 CZ PHE A 31 10.344 6.925 -2.572 1.00 0.00 C ATOM 0 H PHE A 31 3.808 7.820 -0.539 1.00 0.00 H new ATOM 0 HA PHE A 31 5.511 6.331 -2.448 1.00 0.00 H new ATOM 0 HB2 PHE A 31 6.029 8.797 -1.903 1.00 0.00 H new ATOM 0 HB3 PHE A 31 6.406 8.261 -0.277 1.00 0.00 H new ATOM 0 HD1 PHE A 31 8.309 6.687 0.102 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.549 8.414 -3.719 1.00 0.00 H new ATOM 0 HE1 PHE A 31 10.582 6.095 -0.618 1.00 0.00 H new ATOM 0 HE2 PHE A 31 9.821 7.825 -4.439 1.00 0.00 H new ATOM 0 HZ PHE A 31 11.344 6.668 -2.888 1.00 0.00 H new ATOM 458 N VAL A 32 6.217 4.600 -0.832 1.00 0.00 N ATOM 459 CA VAL A 32 6.548 3.507 0.077 1.00 0.00 C ATOM 460 C VAL A 32 7.895 3.768 0.752 1.00 0.00 C ATOM 461 O VAL A 32 8.946 3.694 0.110 1.00 0.00 O ATOM 462 CB VAL A 32 6.606 2.147 -0.655 1.00 0.00 C ATOM 463 CG1 VAL A 32 6.733 1.003 0.342 1.00 0.00 C ATOM 464 CG2 VAL A 32 5.381 1.957 -1.541 1.00 0.00 C ATOM 0 H VAL A 32 6.455 4.420 -1.807 1.00 0.00 H new ATOM 0 HA VAL A 32 5.757 3.462 0.826 1.00 0.00 H new ATOM 0 HB VAL A 32 7.490 2.142 -1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.772 0.055 -0.195 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.646 1.128 0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.872 1.006 1.011 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.443 0.993 -2.046 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.480 1.988 -0.928 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.342 2.754 -2.284 1.00 0.00 H new ATOM 474 N GLN A 33 7.849 4.082 2.045 1.00 0.00 N ATOM 475 CA GLN A 33 9.055 4.368 2.820 1.00 0.00 C ATOM 476 C GLN A 33 9.994 3.158 2.864 1.00 0.00 C ATOM 477 O GLN A 33 11.104 3.212 2.335 1.00 0.00 O ATOM 478 CB GLN A 33 8.671 4.795 4.241 1.00 0.00 C ATOM 479 CG GLN A 33 9.861 5.081 5.144 1.00 0.00 C ATOM 480 CD GLN A 33 9.502 5.013 6.617 1.00 0.00 C ATOM 481 OE1 GLN A 33 9.925 4.101 7.328 1.00 0.00 O ATOM 482 NE2 GLN A 33 8.715 5.978 7.085 1.00 0.00 N ATOM 0 H GLN A 33 6.984 4.145 2.581 1.00 0.00 H new ATOM 0 HA GLN A 33 9.588 5.182 2.329 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.048 5.687 4.185 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.065 4.010 4.694 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.654 4.363 4.933 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.257 6.070 4.915 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.386 6.715 6.462 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.440 5.980 8.067 1.00 0.00 H new ATOM 491 N SER A 34 9.544 2.075 3.502 1.00 0.00 N ATOM 492 CA SER A 34 10.353 0.861 3.617 1.00 0.00 C ATOM 493 C SER A 34 9.482 -0.396 3.547 1.00 0.00 C ATOM 494 O SER A 34 8.276 -0.342 3.803 1.00 0.00 O ATOM 495 CB SER A 34 11.142 0.871 4.930 1.00 0.00 C ATOM 496 OG SER A 34 12.386 1.529 4.773 1.00 0.00 O ATOM 0 H SER A 34 8.627 2.014 3.945 1.00 0.00 H new ATOM 0 HA SER A 34 11.048 0.844 2.778 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.559 1.369 5.704 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.308 -0.153 5.265 1.00 0.00 H new ATOM 0 HG SER A 34 12.869 1.523 5.626 1.00 0.00 H new ATOM 502 N VAL A 35 10.105 -1.526 3.199 1.00 0.00 N ATOM 503 CA VAL A 35 9.393 -2.801 3.095 1.00 0.00 C ATOM 504 C VAL A 35 10.173 -3.932 3.767 1.00 0.00 C ATOM 505 O VAL A 35 11.400 -3.881 3.865 1.00 0.00 O ATOM 506 CB VAL A 35 9.119 -3.184 1.622 1.00 0.00 C ATOM 507 CG1 VAL A 35 8.095 -2.243 1.008 1.00 0.00 C ATOM 508 CG2 VAL A 35 10.406 -3.184 0.808 1.00 0.00 C ATOM 0 H VAL A 35 11.101 -1.583 2.985 1.00 0.00 H new ATOM 0 HA VAL A 35 8.441 -2.666 3.609 1.00 0.00 H new ATOM 0 HB VAL A 35 8.712 -4.195 1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.915 -2.528 -0.029 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.162 -2.304 1.569 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.473 -1.221 1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.184 -3.457 -0.224 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.852 -2.190 0.833 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.104 -3.906 1.232 1.00 0.00 H new ATOM 518 N LYS A 36 9.448 -4.953 4.228 1.00 0.00 N ATOM 519 CA LYS A 36 10.063 -6.101 4.892 1.00 0.00 C ATOM 520 C LYS A 36 11.039 -6.819 3.962 1.00 0.00 C ATOM 521 O LYS A 36 10.638 -7.383 2.944 1.00 0.00 O ATOM 522 CB LYS A 36 8.988 -7.080 5.378 1.00 0.00 C ATOM 523 CG LYS A 36 8.867 -7.155 6.892 1.00 0.00 C ATOM 524 CD LYS A 36 9.715 -8.279 7.469 1.00 0.00 C ATOM 525 CE LYS A 36 11.168 -7.856 7.637 1.00 0.00 C ATOM 526 NZ LYS A 36 12.074 -9.023 7.835 1.00 0.00 N ATOM 0 H LYS A 36 8.432 -5.007 4.153 1.00 0.00 H new ATOM 0 HA LYS A 36 10.620 -5.728 5.752 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.025 -6.785 4.960 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.213 -8.074 4.991 1.00 0.00 H new ATOM 0 HG2 LYS A 36 9.175 -6.205 7.329 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.823 -7.309 7.167 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.310 -8.582 8.434 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.662 -9.148 6.814 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.486 -7.296 6.757 1.00 0.00 H new ATOM 0 HE3 LYS A 36 11.253 -7.183 8.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.063 -8.705 7.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.888 -9.453 8.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.903 -9.726 7.087 1.00 0.00 H new ATOM 540 N GLU A 37 12.322 -6.795 4.329 1.00 0.00 N ATOM 541 CA GLU A 37 13.370 -7.443 3.539 1.00 0.00 C ATOM 542 C GLU A 37 13.120 -8.947 3.406 1.00 0.00 C ATOM 543 O GLU A 37 13.524 -9.563 2.419 1.00 0.00 O ATOM 544 CB GLU A 37 14.742 -7.202 4.176 1.00 0.00 C ATOM 545 CG GLU A 37 15.836 -6.885 3.168 1.00 0.00 C ATOM 546 CD GLU A 37 17.068 -6.280 3.811 1.00 0.00 C ATOM 547 OE1 GLU A 37 17.751 -6.994 4.576 1.00 0.00 O ATOM 548 OE2 GLU A 37 17.351 -5.093 3.550 1.00 0.00 O ATOM 0 H GLU A 37 12.661 -6.332 5.172 1.00 0.00 H new ATOM 0 HA GLU A 37 13.351 -7.004 2.542 1.00 0.00 H new ATOM 0 HB2 GLU A 37 14.664 -6.378 4.885 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.029 -8.086 4.745 1.00 0.00 H new ATOM 0 HG2 GLU A 37 16.117 -7.798 2.644 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.446 -6.195 2.420 1.00 0.00 H new ATOM 555 N ASP A 38 12.453 -9.534 4.401 1.00 0.00 N ATOM 556 CA ASP A 38 12.150 -10.959 4.387 1.00 0.00 C ATOM 557 C ASP A 38 10.679 -11.200 4.731 1.00 0.00 C ATOM 558 O ASP A 38 10.357 -11.915 5.684 1.00 0.00 O ATOM 559 CB ASP A 38 13.057 -11.710 5.370 1.00 0.00 C ATOM 560 CG ASP A 38 13.470 -13.073 4.847 1.00 0.00 C ATOM 561 OD1 ASP A 38 12.578 -13.918 4.619 1.00 0.00 O ATOM 562 OD2 ASP A 38 14.684 -13.295 4.666 1.00 0.00 O ATOM 0 H ASP A 38 12.113 -9.040 5.226 1.00 0.00 H new ATOM 0 HA ASP A 38 12.336 -11.339 3.382 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.948 -11.114 5.567 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.538 -11.830 6.321 1.00 0.00 H new ATOM 567 N GLY A 39 9.789 -10.592 3.947 1.00 0.00 N ATOM 568 CA GLY A 39 8.362 -10.742 4.175 1.00 0.00 C ATOM 569 C GLY A 39 7.558 -10.698 2.889 1.00 0.00 C ATOM 570 O GLY A 39 8.125 -10.765 1.794 1.00 0.00 O ATOM 0 H GLY A 39 10.033 -9.997 3.156 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.176 -11.688 4.683 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.019 -9.950 4.841 1.00 0.00 H new ATOM 574 N ALA A 40 6.234 -10.581 3.020 1.00 0.00 N ATOM 575 CA ALA A 40 5.342 -10.523 1.859 1.00 0.00 C ATOM 576 C ALA A 40 5.760 -9.417 0.889 1.00 0.00 C ATOM 577 O ALA A 40 5.720 -9.606 -0.329 1.00 0.00 O ATOM 578 CB ALA A 40 3.900 -10.315 2.307 1.00 0.00 C ATOM 0 H ALA A 40 5.756 -10.525 3.919 1.00 0.00 H new ATOM 0 HA ALA A 40 5.416 -11.475 1.334 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.250 -10.274 1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.595 -11.142 2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.822 -9.380 2.861 1.00 0.00 H new ATOM 584 N ALA A 41 6.164 -8.266 1.434 1.00 0.00 N ATOM 585 CA ALA A 41 6.595 -7.134 0.614 1.00 0.00 C ATOM 586 C ALA A 41 7.735 -7.539 -0.319 1.00 0.00 C ATOM 587 O ALA A 41 7.661 -7.324 -1.529 1.00 0.00 O ATOM 588 CB ALA A 41 7.017 -5.967 1.495 1.00 0.00 C ATOM 0 H ALA A 41 6.201 -8.095 2.439 1.00 0.00 H new ATOM 0 HA ALA A 41 5.750 -6.819 0.001 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.335 -5.134 0.868 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.175 -5.655 2.114 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.844 -6.275 2.135 1.00 0.00 H new ATOM 594 N MET A 42 8.783 -8.135 0.252 1.00 0.00 N ATOM 595 CA MET A 42 9.931 -8.580 -0.535 1.00 0.00 C ATOM 596 C MET A 42 9.551 -9.769 -1.418 1.00 0.00 C ATOM 597 O MET A 42 9.930 -9.823 -2.587 1.00 0.00 O ATOM 598 CB MET A 42 11.096 -8.957 0.382 1.00 0.00 C ATOM 599 CG MET A 42 12.321 -9.468 -0.362 1.00 0.00 C ATOM 600 SD MET A 42 12.538 -11.251 -0.207 1.00 0.00 S ATOM 601 CE MET A 42 12.636 -11.732 -1.928 1.00 0.00 C ATOM 0 H MET A 42 8.859 -8.320 1.252 1.00 0.00 H new ATOM 0 HA MET A 42 10.243 -7.756 -1.177 1.00 0.00 H new ATOM 0 HB2 MET A 42 11.378 -8.086 0.973 1.00 0.00 H new ATOM 0 HB3 MET A 42 10.762 -9.722 1.083 1.00 0.00 H new ATOM 0 HG2 MET A 42 12.235 -9.207 -1.417 1.00 0.00 H new ATOM 0 HG3 MET A 42 13.209 -8.964 0.020 1.00 0.00 H new ATOM 0 HE1 MET A 42 13.048 -12.739 -2.002 1.00 0.00 H new ATOM 0 HE2 MET A 42 11.639 -11.715 -2.368 1.00 0.00 H new ATOM 0 HE3 MET A 42 13.281 -11.036 -2.464 1.00 0.00 H new ATOM 611 N ARG A 43 8.800 -10.718 -0.850 1.00 0.00 N ATOM 612 CA ARG A 43 8.365 -11.904 -1.593 1.00 0.00 C ATOM 613 C ARG A 43 7.559 -11.512 -2.831 1.00 0.00 C ATOM 614 O ARG A 43 7.661 -12.156 -3.876 1.00 0.00 O ATOM 615 CB ARG A 43 7.520 -12.824 -0.703 1.00 0.00 C ATOM 616 CG ARG A 43 7.894 -14.296 -0.802 1.00 0.00 C ATOM 617 CD ARG A 43 7.680 -14.837 -2.208 1.00 0.00 C ATOM 618 NE ARG A 43 8.928 -14.892 -2.972 1.00 0.00 N ATOM 619 CZ ARG A 43 9.835 -15.868 -2.854 1.00 0.00 C ATOM 620 NH1 ARG A 43 9.638 -16.877 -2.010 1.00 0.00 N ATOM 621 NH2 ARG A 43 10.943 -15.835 -3.589 1.00 0.00 N ATOM 0 H ARG A 43 8.482 -10.688 0.119 1.00 0.00 H new ATOM 0 HA ARG A 43 9.261 -12.438 -1.911 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.622 -12.503 0.334 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.470 -12.708 -0.971 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.938 -14.426 -0.517 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.296 -14.872 -0.095 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.247 -15.835 -2.150 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.961 -14.208 -2.733 1.00 0.00 H new ATOM 0 HE ARG A 43 9.117 -14.140 -3.635 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.789 -16.911 -1.445 1.00 0.00 H new ATOM 0 HH12 ARG A 43 10.336 -17.616 -1.927 1.00 0.00 H new ATOM 0 HH21 ARG A 43 11.100 -15.066 -4.241 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.636 -16.578 -3.501 1.00 0.00 H new ATOM 635 N ALA A 44 6.756 -10.453 -2.704 1.00 0.00 N ATOM 636 CA ALA A 44 5.927 -9.978 -3.812 1.00 0.00 C ATOM 637 C ALA A 44 6.754 -9.239 -4.873 1.00 0.00 C ATOM 638 O ALA A 44 6.277 -9.014 -5.986 1.00 0.00 O ATOM 639 CB ALA A 44 4.822 -9.074 -3.286 1.00 0.00 C ATOM 0 H ALA A 44 6.663 -9.909 -1.846 1.00 0.00 H new ATOM 0 HA ALA A 44 5.486 -10.852 -4.291 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.210 -8.725 -4.118 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.199 -9.631 -2.586 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.264 -8.218 -2.777 1.00 0.00 H new ATOM 645 N GLY A 45 7.989 -8.866 -4.525 1.00 0.00 N ATOM 646 CA GLY A 45 8.846 -8.158 -5.465 1.00 0.00 C ATOM 647 C GLY A 45 9.020 -6.685 -5.126 1.00 0.00 C ATOM 648 O GLY A 45 9.829 -5.995 -5.749 1.00 0.00 O ATOM 0 H GLY A 45 8.408 -9.042 -3.612 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.825 -8.637 -5.486 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.426 -8.246 -6.467 1.00 0.00 H new ATOM 652 N VAL A 46 8.260 -6.199 -4.143 1.00 0.00 N ATOM 653 CA VAL A 46 8.333 -4.798 -3.730 1.00 0.00 C ATOM 654 C VAL A 46 9.649 -4.493 -3.015 1.00 0.00 C ATOM 655 O VAL A 46 10.214 -5.353 -2.335 1.00 0.00 O ATOM 656 CB VAL A 46 7.157 -4.423 -2.802 1.00 0.00 C ATOM 657 CG1 VAL A 46 7.095 -2.917 -2.590 1.00 0.00 C ATOM 658 CG2 VAL A 46 5.840 -4.938 -3.368 1.00 0.00 C ATOM 0 H VAL A 46 7.586 -6.756 -3.618 1.00 0.00 H new ATOM 0 HA VAL A 46 8.276 -4.201 -4.640 1.00 0.00 H new ATOM 0 HB VAL A 46 7.324 -4.897 -1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.259 -2.676 -1.933 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.024 -2.575 -2.135 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.957 -2.420 -3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.024 -4.663 -2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.669 -4.497 -4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.883 -6.023 -3.461 1.00 0.00 H new ATOM 668 N GLN A 47 10.131 -3.259 -3.177 1.00 0.00 N ATOM 669 CA GLN A 47 11.379 -2.830 -2.552 1.00 0.00 C ATOM 670 C GLN A 47 11.227 -1.459 -1.889 1.00 0.00 C ATOM 671 O GLN A 47 10.270 -0.728 -2.156 1.00 0.00 O ATOM 672 CB GLN A 47 12.505 -2.781 -3.592 1.00 0.00 C ATOM 673 CG GLN A 47 13.694 -3.664 -3.247 1.00 0.00 C ATOM 674 CD GLN A 47 14.697 -2.973 -2.341 1.00 0.00 C ATOM 675 OE1 GLN A 47 15.412 -2.066 -2.767 1.00 0.00 O ATOM 676 NE2 GLN A 47 14.756 -3.400 -1.084 1.00 0.00 N ATOM 0 H GLN A 47 9.673 -2.540 -3.737 1.00 0.00 H new ATOM 0 HA GLN A 47 11.631 -3.557 -1.780 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.107 -3.085 -4.560 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.847 -1.751 -3.697 1.00 0.00 H new ATOM 0 HG2 GLN A 47 13.337 -4.572 -2.761 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.193 -3.970 -4.167 1.00 0.00 H new ATOM 0 HE21 GLN A 47 14.145 -4.155 -0.773 1.00 0.00 H new ATOM 0 HE22 GLN A 47 15.412 -2.973 -0.431 1.00 0.00 H new ATOM 685 N THR A 48 12.184 -1.123 -1.023 1.00 0.00 N ATOM 686 CA THR A 48 12.179 0.154 -0.309 1.00 0.00 C ATOM 687 C THR A 48 12.360 1.323 -1.277 1.00 0.00 C ATOM 688 O THR A 48 13.181 1.261 -2.195 1.00 0.00 O ATOM 689 CB THR A 48 13.293 0.165 0.745 1.00 0.00 C ATOM 690 OG1 THR A 48 13.117 -0.901 1.662 1.00 0.00 O ATOM 691 CG2 THR A 48 13.364 1.449 1.544 1.00 0.00 C ATOM 0 H THR A 48 12.978 -1.723 -0.798 1.00 0.00 H new ATOM 0 HA THR A 48 11.214 0.269 0.185 1.00 0.00 H new ATOM 0 HB THR A 48 14.221 0.063 0.182 1.00 0.00 H new ATOM 0 HG1 THR A 48 13.836 -0.882 2.327 1.00 0.00 H new ATOM 0 HG21 THR A 48 14.175 1.382 2.269 1.00 0.00 H new ATOM 0 HG22 THR A 48 13.547 2.287 0.871 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.421 1.604 2.068 1.00 0.00 H new ATOM 699 N GLY A 49 11.589 2.390 -1.063 1.00 0.00 N ATOM 700 CA GLY A 49 11.679 3.559 -1.921 1.00 0.00 C ATOM 701 C GLY A 49 10.838 3.428 -3.180 1.00 0.00 C ATOM 702 O GLY A 49 11.354 3.561 -4.291 1.00 0.00 O ATOM 0 H GLY A 49 10.904 2.464 -0.310 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.357 4.439 -1.364 1.00 0.00 H new ATOM 0 HA3 GLY A 49 12.720 3.721 -2.200 1.00 0.00 H new ATOM 706 N ASP A 50 9.541 3.169 -3.003 1.00 0.00 N ATOM 707 CA ASP A 50 8.620 3.020 -4.131 1.00 0.00 C ATOM 708 C ASP A 50 7.566 4.128 -4.124 1.00 0.00 C ATOM 709 O ASP A 50 7.479 4.904 -3.172 1.00 0.00 O ATOM 710 CB ASP A 50 7.935 1.648 -4.084 1.00 0.00 C ATOM 711 CG ASP A 50 8.582 0.629 -5.006 1.00 0.00 C ATOM 712 OD1 ASP A 50 9.091 1.026 -6.077 1.00 0.00 O ATOM 713 OD2 ASP A 50 8.577 -0.570 -4.656 1.00 0.00 O ATOM 0 H ASP A 50 9.104 3.058 -2.088 1.00 0.00 H new ATOM 0 HA ASP A 50 9.199 3.098 -5.051 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.959 1.271 -3.061 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.886 1.762 -4.357 1.00 0.00 H new ATOM 718 N ARG A 51 6.764 4.196 -5.188 1.00 0.00 N ATOM 719 CA ARG A 51 5.716 5.212 -5.292 1.00 0.00 C ATOM 720 C ARG A 51 4.363 4.577 -5.614 1.00 0.00 C ATOM 721 O ARG A 51 3.958 4.515 -6.776 1.00 0.00 O ATOM 722 CB ARG A 51 6.084 6.248 -6.361 1.00 0.00 C ATOM 723 CG ARG A 51 6.175 7.667 -5.826 1.00 0.00 C ATOM 724 CD ARG A 51 5.618 8.681 -6.815 1.00 0.00 C ATOM 725 NE ARG A 51 6.609 9.695 -7.180 1.00 0.00 N ATOM 726 CZ ARG A 51 7.088 10.615 -6.335 1.00 0.00 C ATOM 727 NH1 ARG A 51 6.666 10.660 -5.074 1.00 0.00 N ATOM 728 NH2 ARG A 51 7.992 11.493 -6.757 1.00 0.00 N ATOM 0 H ARG A 51 6.820 3.563 -5.986 1.00 0.00 H new ATOM 0 HA ARG A 51 5.634 5.713 -4.327 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.041 5.974 -6.806 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.341 6.216 -7.158 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.627 7.737 -4.886 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.215 7.907 -5.607 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.281 8.164 -7.713 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.744 9.168 -6.381 1.00 0.00 H new ATOM 0 HE ARG A 51 6.956 9.700 -8.139 1.00 0.00 H new ATOM 0 HH11 ARG A 51 5.972 9.989 -4.744 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.037 11.365 -4.437 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.319 11.464 -7.723 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.359 12.196 -6.115 1.00 0.00 H new ATOM 742 N ILE A 52 3.662 4.112 -4.578 1.00 0.00 N ATOM 743 CA ILE A 52 2.352 3.490 -4.763 1.00 0.00 C ATOM 744 C ILE A 52 1.315 4.527 -5.195 1.00 0.00 C ATOM 745 O ILE A 52 1.064 5.509 -4.495 1.00 0.00 O ATOM 746 CB ILE A 52 1.877 2.745 -3.487 1.00 0.00 C ATOM 747 CG1 ILE A 52 0.466 2.162 -3.686 1.00 0.00 C ATOM 748 CG2 ILE A 52 1.933 3.653 -2.266 1.00 0.00 C ATOM 749 CD1 ILE A 52 -0.663 3.151 -3.459 1.00 0.00 C ATOM 0 H ILE A 52 3.978 4.154 -3.609 1.00 0.00 H new ATOM 0 HA ILE A 52 2.457 2.748 -5.555 1.00 0.00 H new ATOM 0 HB ILE A 52 2.560 1.914 -3.309 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.389 1.769 -4.700 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.336 1.320 -3.007 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.594 3.103 -1.388 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.958 3.990 -2.110 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.287 4.516 -2.425 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.620 2.654 -3.621 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.618 3.527 -2.437 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.564 3.983 -4.156 1.00 0.00 H new ATOM 761 N ILE A 53 0.727 4.301 -6.365 1.00 0.00 N ATOM 762 CA ILE A 53 -0.273 5.211 -6.913 1.00 0.00 C ATOM 763 C ILE A 53 -1.681 4.614 -6.835 1.00 0.00 C ATOM 764 O ILE A 53 -2.658 5.345 -6.655 1.00 0.00 O ATOM 765 CB ILE A 53 0.046 5.570 -8.382 1.00 0.00 C ATOM 766 CG1 ILE A 53 1.461 6.149 -8.498 1.00 0.00 C ATOM 767 CG2 ILE A 53 -0.981 6.552 -8.932 1.00 0.00 C ATOM 768 CD1 ILE A 53 2.023 6.094 -9.903 1.00 0.00 C ATOM 0 H ILE A 53 0.926 3.493 -6.954 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.241 6.116 -6.306 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.003 4.657 -8.976 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.450 7.185 -8.160 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.125 5.602 -7.828 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.738 6.791 -9.967 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.974 6.104 -8.887 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.968 7.464 -8.336 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.026 6.520 -9.911 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.067 5.057 -10.237 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.381 6.665 -10.574 1.00 0.00 H new ATOM 780 N LYS A 54 -1.788 3.289 -6.977 1.00 0.00 N ATOM 781 CA LYS A 54 -3.092 2.623 -6.926 1.00 0.00 C ATOM 782 C LYS A 54 -3.026 1.321 -6.127 1.00 0.00 C ATOM 783 O LYS A 54 -1.943 0.789 -5.879 1.00 0.00 O ATOM 784 CB LYS A 54 -3.613 2.333 -8.344 1.00 0.00 C ATOM 785 CG LYS A 54 -2.910 3.113 -9.449 1.00 0.00 C ATOM 786 CD LYS A 54 -3.247 2.559 -10.826 1.00 0.00 C ATOM 787 CE LYS A 54 -4.630 2.999 -11.282 1.00 0.00 C ATOM 788 NZ LYS A 54 -4.742 3.040 -12.766 1.00 0.00 N ATOM 0 H LYS A 54 -0.997 2.663 -7.126 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.781 3.301 -6.423 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.507 1.267 -8.545 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.679 2.559 -8.379 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.201 4.162 -9.397 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.832 3.073 -9.294 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.501 2.895 -11.547 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.200 1.470 -10.803 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.378 2.315 -10.881 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.849 3.986 -10.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.700 3.345 -13.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.046 3.711 -13.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.559 2.093 -13.154 1.00 0.00 H new ATOM 802 N VAL A 55 -4.196 0.807 -5.739 1.00 0.00 N ATOM 803 CA VAL A 55 -4.281 -0.442 -4.981 1.00 0.00 C ATOM 804 C VAL A 55 -5.445 -1.300 -5.480 1.00 0.00 C ATOM 805 O VAL A 55 -6.614 -0.976 -5.256 1.00 0.00 O ATOM 806 CB VAL A 55 -4.431 -0.197 -3.460 1.00 0.00 C ATOM 807 CG1 VAL A 55 -3.140 0.364 -2.880 1.00 0.00 C ATOM 808 CG2 VAL A 55 -5.605 0.728 -3.165 1.00 0.00 C ATOM 0 H VAL A 55 -5.099 1.238 -5.938 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.342 -0.971 -5.144 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.635 -1.155 -2.982 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.264 0.530 -1.810 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -2.329 -0.345 -3.046 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.902 1.309 -3.369 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.686 0.882 -2.089 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -5.445 1.687 -3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.525 0.278 -3.537 1.00 0.00 H new ATOM 818 N ASN A 56 -5.106 -2.393 -6.167 1.00 0.00 N ATOM 819 CA ASN A 56 -6.098 -3.317 -6.720 1.00 0.00 C ATOM 820 C ASN A 56 -7.005 -2.615 -7.736 1.00 0.00 C ATOM 821 O ASN A 56 -8.182 -2.955 -7.872 1.00 0.00 O ATOM 822 CB ASN A 56 -6.935 -3.946 -5.598 1.00 0.00 C ATOM 823 CG ASN A 56 -6.877 -5.460 -5.626 1.00 0.00 C ATOM 824 OD1 ASN A 56 -6.292 -6.085 -4.743 1.00 0.00 O ATOM 825 ND2 ASN A 56 -7.479 -6.060 -6.647 1.00 0.00 N ATOM 0 H ASN A 56 -4.140 -2.662 -6.355 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.561 -4.110 -7.240 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.576 -3.587 -4.633 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -7.971 -3.621 -5.693 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.467 -7.077 -6.720 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.953 -5.503 -7.358 1.00 0.00 H new ATOM 832 N GLY A 57 -6.448 -1.629 -8.445 1.00 0.00 N ATOM 833 CA GLY A 57 -7.220 -0.890 -9.430 1.00 0.00 C ATOM 834 C GLY A 57 -7.830 0.374 -8.849 1.00 0.00 C ATOM 835 O GLY A 57 -7.940 1.390 -9.540 1.00 0.00 O ATOM 0 H GLY A 57 -5.477 -1.332 -8.353 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.578 -0.628 -10.271 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.013 -1.528 -9.821 1.00 0.00 H new ATOM 839 N THR A 58 -8.222 0.314 -7.576 1.00 0.00 N ATOM 840 CA THR A 58 -8.820 1.457 -6.894 1.00 0.00 C ATOM 841 C THR A 58 -7.762 2.520 -6.592 1.00 0.00 C ATOM 842 O THR A 58 -6.873 2.311 -5.766 1.00 0.00 O ATOM 843 CB THR A 58 -9.505 0.998 -5.600 1.00 0.00 C ATOM 844 OG1 THR A 58 -10.403 -0.070 -5.858 1.00 0.00 O ATOM 845 CG2 THR A 58 -10.288 2.093 -4.904 1.00 0.00 C ATOM 0 H THR A 58 -8.134 -0.520 -6.995 1.00 0.00 H new ATOM 0 HA THR A 58 -9.569 1.900 -7.550 1.00 0.00 H new ATOM 0 HB THR A 58 -8.691 0.687 -4.945 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.828 -0.349 -5.020 1.00 0.00 H new ATOM 0 HG21 THR A 58 -10.744 1.694 -3.998 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.616 2.911 -4.643 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.068 2.462 -5.570 1.00 0.00 H new ATOM 853 N LEU A 59 -7.868 3.660 -7.275 1.00 0.00 N ATOM 854 CA LEU A 59 -6.924 4.763 -7.089 1.00 0.00 C ATOM 855 C LEU A 59 -7.025 5.340 -5.680 1.00 0.00 C ATOM 856 O LEU A 59 -8.093 5.315 -5.066 1.00 0.00 O ATOM 857 CB LEU A 59 -7.185 5.867 -8.120 1.00 0.00 C ATOM 858 CG LEU A 59 -6.210 5.894 -9.298 1.00 0.00 C ATOM 859 CD1 LEU A 59 -6.941 6.226 -10.590 1.00 0.00 C ATOM 860 CD2 LEU A 59 -5.092 6.893 -9.036 1.00 0.00 C ATOM 0 H LEU A 59 -8.599 3.844 -7.963 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.917 4.369 -7.230 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -8.197 5.749 -8.508 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.147 6.832 -7.614 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.767 4.904 -9.405 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.231 6.241 -11.417 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.704 5.471 -10.781 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.413 7.204 -10.500 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.406 6.901 -9.883 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.517 7.888 -8.903 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.552 6.606 -8.134 1.00 0.00 H new ATOM 872 N VAL A 60 -5.910 5.869 -5.177 1.00 0.00 N ATOM 873 CA VAL A 60 -5.882 6.460 -3.839 1.00 0.00 C ATOM 874 C VAL A 60 -6.233 7.953 -3.870 1.00 0.00 C ATOM 875 O VAL A 60 -5.934 8.687 -2.925 1.00 0.00 O ATOM 876 CB VAL A 60 -4.506 6.269 -3.160 1.00 0.00 C ATOM 877 CG1 VAL A 60 -4.219 4.790 -2.937 1.00 0.00 C ATOM 878 CG2 VAL A 60 -3.398 6.918 -3.978 1.00 0.00 C ATOM 0 H VAL A 60 -5.019 5.901 -5.672 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.638 5.935 -3.255 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.537 6.762 -2.188 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.246 4.676 -2.458 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.991 4.362 -2.297 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.214 4.272 -3.896 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.441 6.769 -3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.364 6.465 -4.969 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.594 7.986 -4.074 1.00 0.00 H new ATOM 888 N THR A 61 -6.877 8.399 -4.955 1.00 0.00 N ATOM 889 CA THR A 61 -7.274 9.800 -5.090 1.00 0.00 C ATOM 890 C THR A 61 -8.686 10.017 -4.539 1.00 0.00 C ATOM 891 O THR A 61 -8.974 11.050 -3.933 1.00 0.00 O ATOM 892 CB THR A 61 -7.199 10.252 -6.558 1.00 0.00 C ATOM 893 OG1 THR A 61 -8.242 9.673 -7.323 1.00 0.00 O ATOM 894 CG2 THR A 61 -5.888 9.904 -7.237 1.00 0.00 C ATOM 0 H THR A 61 -7.132 7.810 -5.748 1.00 0.00 H new ATOM 0 HA THR A 61 -6.578 10.404 -4.509 1.00 0.00 H new ATOM 0 HB THR A 61 -7.292 11.337 -6.520 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.174 9.977 -8.252 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.909 10.254 -8.269 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.065 10.384 -6.707 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.747 8.823 -7.223 1.00 0.00 H new ATOM 902 N HIS A 62 -9.559 9.030 -4.752 1.00 0.00 N ATOM 903 CA HIS A 62 -10.939 9.099 -4.277 1.00 0.00 C ATOM 904 C HIS A 62 -11.066 8.529 -2.859 1.00 0.00 C ATOM 905 O HIS A 62 -11.895 8.988 -2.073 1.00 0.00 O ATOM 906 CB HIS A 62 -11.865 8.335 -5.230 1.00 0.00 C ATOM 907 CG HIS A 62 -13.295 8.776 -5.171 1.00 0.00 C ATOM 908 ND1 HIS A 62 -14.102 8.572 -4.070 1.00 0.00 N ATOM 909 CD2 HIS A 62 -14.068 9.404 -6.090 1.00 0.00 C ATOM 910 CE1 HIS A 62 -15.308 9.052 -4.315 1.00 0.00 C ATOM 911 NE2 HIS A 62 -15.312 9.566 -5.532 1.00 0.00 N ATOM 0 H HIS A 62 -9.331 8.171 -5.253 1.00 0.00 H new ATOM 0 HA HIS A 62 -11.234 10.148 -4.252 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -11.500 8.455 -6.250 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -11.813 7.272 -4.996 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -13.763 9.718 -7.077 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -16.148 9.028 -3.636 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -16.110 10.011 -5.984 1.00 0.00 H new ATOM 920 N SER A 63 -10.247 7.524 -2.543 1.00 0.00 N ATOM 921 CA SER A 63 -10.275 6.887 -1.224 1.00 0.00 C ATOM 922 C SER A 63 -9.627 7.775 -0.160 1.00 0.00 C ATOM 923 O SER A 63 -8.775 8.612 -0.466 1.00 0.00 O ATOM 924 CB SER A 63 -9.566 5.529 -1.267 1.00 0.00 C ATOM 925 OG SER A 63 -9.516 5.010 -2.587 1.00 0.00 O ATOM 0 H SER A 63 -9.555 7.133 -3.183 1.00 0.00 H new ATOM 0 HA SER A 63 -11.321 6.738 -0.955 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.553 5.634 -0.877 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.086 4.825 -0.618 1.00 0.00 H new ATOM 0 HG SER A 63 -8.727 5.364 -3.048 1.00 0.00 H new ATOM 931 N ASN A 64 -10.039 7.579 1.094 1.00 0.00 N ATOM 932 CA ASN A 64 -9.510 8.353 2.216 1.00 0.00 C ATOM 933 C ASN A 64 -8.347 7.625 2.895 1.00 0.00 C ATOM 934 O ASN A 64 -7.942 6.544 2.466 1.00 0.00 O ATOM 935 CB ASN A 64 -10.621 8.626 3.237 1.00 0.00 C ATOM 936 CG ASN A 64 -11.150 10.046 3.153 1.00 0.00 C ATOM 937 OD1 ASN A 64 -10.473 10.995 3.552 1.00 0.00 O ATOM 938 ND2 ASN A 64 -12.364 10.199 2.636 1.00 0.00 N ATOM 0 H ASN A 64 -10.741 6.887 1.358 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.136 9.299 1.825 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.440 7.926 3.074 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.240 8.442 4.242 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.771 11.131 2.557 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -12.889 9.385 2.318 1.00 0.00 H new ATOM 945 N HIS A 65 -7.816 8.230 3.960 1.00 0.00 N ATOM 946 CA HIS A 65 -6.700 7.647 4.707 1.00 0.00 C ATOM 947 C HIS A 65 -7.133 6.364 5.421 1.00 0.00 C ATOM 948 O HIS A 65 -6.598 5.287 5.157 1.00 0.00 O ATOM 949 CB HIS A 65 -6.153 8.668 5.714 1.00 0.00 C ATOM 950 CG HIS A 65 -5.167 8.103 6.691 1.00 0.00 C ATOM 951 ND1 HIS A 65 -5.535 7.298 7.749 1.00 0.00 N ATOM 952 CD2 HIS A 65 -3.826 8.240 6.773 1.00 0.00 C ATOM 953 CE1 HIS A 65 -4.465 6.965 8.438 1.00 0.00 C ATOM 954 NE2 HIS A 65 -3.413 7.523 7.868 1.00 0.00 N ATOM 0 H HIS A 65 -8.142 9.125 4.325 1.00 0.00 H new ATOM 0 HA HIS A 65 -5.909 7.388 4.004 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -5.678 9.482 5.167 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -6.988 9.099 6.266 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.197 8.807 6.103 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -4.450 6.341 9.320 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -2.449 7.435 8.189 1.00 0.00 H new ATOM 963 N LEU A 66 -8.105 6.486 6.324 1.00 0.00 N ATOM 964 CA LEU A 66 -8.609 5.334 7.072 1.00 0.00 C ATOM 965 C LEU A 66 -9.419 4.404 6.167 1.00 0.00 C ATOM 966 O LEU A 66 -9.517 3.206 6.431 1.00 0.00 O ATOM 967 CB LEU A 66 -9.469 5.795 8.255 1.00 0.00 C ATOM 968 CG LEU A 66 -8.713 6.549 9.354 1.00 0.00 C ATOM 969 CD1 LEU A 66 -8.727 8.048 9.086 1.00 0.00 C ATOM 970 CD2 LEU A 66 -9.307 6.242 10.723 1.00 0.00 C ATOM 0 H LEU A 66 -8.559 7.370 6.555 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.750 4.781 7.454 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -10.265 6.437 7.877 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.947 4.922 8.698 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.677 6.211 9.348 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.185 8.564 9.878 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.249 8.251 8.128 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.757 8.403 9.060 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.756 6.787 11.489 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.353 6.547 10.742 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.237 5.172 10.918 1.00 0.00 H new ATOM 982 N GLU A 67 -9.993 4.960 5.100 1.00 0.00 N ATOM 983 CA GLU A 67 -10.786 4.174 4.162 1.00 0.00 C ATOM 984 C GLU A 67 -9.911 3.191 3.385 1.00 0.00 C ATOM 985 O GLU A 67 -10.222 2.002 3.307 1.00 0.00 O ATOM 986 CB GLU A 67 -11.522 5.093 3.184 1.00 0.00 C ATOM 987 CG GLU A 67 -12.932 4.631 2.859 1.00 0.00 C ATOM 988 CD GLU A 67 -13.825 5.765 2.400 1.00 0.00 C ATOM 989 OE1 GLU A 67 -13.586 6.302 1.297 1.00 0.00 O ATOM 990 OE2 GLU A 67 -14.763 6.121 3.144 1.00 0.00 O ATOM 0 H GLU A 67 -9.922 5.950 4.866 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.514 3.605 4.740 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.566 6.097 3.605 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.948 5.160 2.260 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -12.890 3.869 2.081 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.369 4.163 3.741 1.00 0.00 H new ATOM 997 N VAL A 68 -8.820 3.696 2.802 1.00 0.00 N ATOM 998 CA VAL A 68 -7.910 2.857 2.020 1.00 0.00 C ATOM 999 C VAL A 68 -7.309 1.732 2.865 1.00 0.00 C ATOM 1000 O VAL A 68 -7.251 0.585 2.421 1.00 0.00 O ATOM 1001 CB VAL A 68 -6.777 3.687 1.365 1.00 0.00 C ATOM 1002 CG1 VAL A 68 -5.851 4.290 2.413 1.00 0.00 C ATOM 1003 CG2 VAL A 68 -5.991 2.835 0.379 1.00 0.00 C ATOM 0 H VAL A 68 -8.547 4.677 2.857 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.510 2.411 1.227 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.240 4.510 0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.068 4.865 1.919 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.423 4.945 3.070 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.398 3.492 3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.200 3.435 -0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.550 1.987 0.902 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.659 2.472 -0.402 1.00 0.00 H new ATOM 1013 N VAL A 69 -6.865 2.058 4.080 1.00 0.00 N ATOM 1014 CA VAL A 69 -6.273 1.058 4.968 1.00 0.00 C ATOM 1015 C VAL A 69 -7.308 0.010 5.385 1.00 0.00 C ATOM 1016 O VAL A 69 -7.022 -1.190 5.369 1.00 0.00 O ATOM 1017 CB VAL A 69 -5.634 1.701 6.223 1.00 0.00 C ATOM 1018 CG1 VAL A 69 -6.666 2.454 7.049 1.00 0.00 C ATOM 1019 CG2 VAL A 69 -4.927 0.649 7.068 1.00 0.00 C ATOM 0 H VAL A 69 -6.904 3.000 4.469 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.481 0.566 4.404 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.892 2.424 5.883 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.183 2.893 7.922 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.110 3.245 6.444 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.446 1.765 7.373 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.485 1.123 7.945 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.646 -0.105 7.387 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.143 0.175 6.478 1.00 0.00 H new ATOM 1029 N LYS A 70 -8.512 0.465 5.741 1.00 0.00 N ATOM 1030 CA LYS A 70 -9.580 -0.448 6.144 1.00 0.00 C ATOM 1031 C LYS A 70 -9.933 -1.405 5.006 1.00 0.00 C ATOM 1032 O LYS A 70 -10.145 -2.594 5.236 1.00 0.00 O ATOM 1033 CB LYS A 70 -10.828 0.325 6.582 1.00 0.00 C ATOM 1034 CG LYS A 70 -11.625 -0.371 7.676 1.00 0.00 C ATOM 1035 CD LYS A 70 -11.321 0.211 9.049 1.00 0.00 C ATOM 1036 CE LYS A 70 -10.207 -0.555 9.751 1.00 0.00 C ATOM 1037 NZ LYS A 70 -10.664 -1.885 10.248 1.00 0.00 N ATOM 0 H LYS A 70 -8.769 1.452 5.758 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.216 -1.029 6.992 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.528 1.312 6.935 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.472 0.478 5.716 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.691 -0.275 7.468 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.394 -1.436 7.673 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.034 1.257 8.945 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.222 0.187 9.662 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.374 -0.693 9.062 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.834 0.035 10.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.954 -2.274 10.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.571 -1.777 10.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.786 -2.533 9.444 1.00 0.00 H new ATOM 1051 N LEU A 71 -9.991 -0.878 3.781 1.00 0.00 N ATOM 1052 CA LEU A 71 -10.313 -1.690 2.610 1.00 0.00 C ATOM 1053 C LEU A 71 -9.219 -2.725 2.345 1.00 0.00 C ATOM 1054 O LEU A 71 -9.513 -3.895 2.105 1.00 0.00 O ATOM 1055 CB LEU A 71 -10.519 -0.807 1.370 1.00 0.00 C ATOM 1056 CG LEU A 71 -11.973 -0.415 1.074 1.00 0.00 C ATOM 1057 CD1 LEU A 71 -12.842 -1.653 0.910 1.00 0.00 C ATOM 1058 CD2 LEU A 71 -12.525 0.484 2.173 1.00 0.00 C ATOM 0 H LEU A 71 -9.819 0.106 3.576 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.244 -2.217 2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.933 0.104 1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.118 -1.330 0.502 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.989 0.142 0.137 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.868 -1.352 0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.465 -2.255 0.083 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.816 -2.240 1.828 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.557 0.749 1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.491 -0.044 3.126 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.923 1.390 2.238 1.00 0.00 H new ATOM 1070 N ILE A 72 -7.957 -2.294 2.402 1.00 0.00 N ATOM 1071 CA ILE A 72 -6.832 -3.202 2.176 1.00 0.00 C ATOM 1072 C ILE A 72 -6.739 -4.241 3.295 1.00 0.00 C ATOM 1073 O ILE A 72 -6.468 -5.414 3.038 1.00 0.00 O ATOM 1074 CB ILE A 72 -5.485 -2.452 2.067 1.00 0.00 C ATOM 1075 CG1 ILE A 72 -5.542 -1.388 0.967 1.00 0.00 C ATOM 1076 CG2 ILE A 72 -4.352 -3.433 1.793 1.00 0.00 C ATOM 1077 CD1 ILE A 72 -4.619 -0.214 1.213 1.00 0.00 C ATOM 0 H ILE A 72 -7.690 -1.330 2.601 1.00 0.00 H new ATOM 0 HA ILE A 72 -7.023 -3.700 1.225 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.295 -1.953 3.017 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.284 -1.849 0.013 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -6.565 -1.023 0.878 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -3.410 -2.889 1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.291 -4.155 2.607 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.543 -3.957 0.857 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -4.712 0.500 0.394 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -4.890 0.272 2.150 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.589 -0.567 1.272 1.00 0.00 H new ATOM 1089 N LYS A 73 -6.966 -3.805 4.536 1.00 0.00 N ATOM 1090 CA LYS A 73 -6.908 -4.708 5.686 1.00 0.00 C ATOM 1091 C LYS A 73 -8.052 -5.722 5.653 1.00 0.00 C ATOM 1092 O LYS A 73 -7.899 -6.850 6.125 1.00 0.00 O ATOM 1093 CB LYS A 73 -6.939 -3.915 6.997 1.00 0.00 C ATOM 1094 CG LYS A 73 -5.608 -3.906 7.737 1.00 0.00 C ATOM 1095 CD LYS A 73 -4.654 -2.870 7.160 1.00 0.00 C ATOM 1096 CE LYS A 73 -3.346 -2.815 7.940 1.00 0.00 C ATOM 1097 NZ LYS A 73 -2.701 -4.156 8.050 1.00 0.00 N ATOM 0 H LYS A 73 -7.190 -2.838 4.769 1.00 0.00 H new ATOM 0 HA LYS A 73 -5.968 -5.257 5.630 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.233 -2.887 6.783 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.704 -4.337 7.649 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.779 -3.696 8.793 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.152 -4.894 7.679 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -4.446 -3.107 6.117 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -5.129 -1.889 7.175 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.661 -2.123 7.450 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.536 -2.422 8.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.668 -4.049 8.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -2.961 -4.593 8.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.024 -4.762 7.269 1.00 0.00 H new ATOM 1111 N SER A 74 -9.196 -5.321 5.095 1.00 0.00 N ATOM 1112 CA SER A 74 -10.354 -6.205 5.007 1.00 0.00 C ATOM 1113 C SER A 74 -10.237 -7.148 3.806 1.00 0.00 C ATOM 1114 O SER A 74 -11.015 -7.060 2.854 1.00 0.00 O ATOM 1115 CB SER A 74 -11.646 -5.385 4.913 1.00 0.00 C ATOM 1116 OG SER A 74 -11.602 -4.473 3.827 1.00 0.00 O ATOM 0 H SER A 74 -9.343 -4.392 4.699 1.00 0.00 H new ATOM 0 HA SER A 74 -10.385 -6.810 5.913 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.497 -6.056 4.793 1.00 0.00 H new ATOM 0 HB3 SER A 74 -11.800 -4.838 5.843 1.00 0.00 H new ATOM 0 HG SER A 74 -10.762 -4.589 3.336 1.00 0.00 H new ATOM 1122 N GLY A 75 -9.257 -8.051 3.860 1.00 0.00 N ATOM 1123 CA GLY A 75 -9.057 -8.997 2.776 1.00 0.00 C ATOM 1124 C GLY A 75 -7.814 -9.846 2.966 1.00 0.00 C ATOM 1125 O GLY A 75 -6.916 -9.480 3.729 1.00 0.00 O ATOM 0 H GLY A 75 -8.600 -8.143 4.635 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.929 -9.647 2.700 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.981 -8.454 1.834 1.00 0.00 H new ATOM 1129 N SER A 76 -7.762 -10.985 2.277 1.00 0.00 N ATOM 1130 CA SER A 76 -6.619 -11.891 2.378 1.00 0.00 C ATOM 1131 C SER A 76 -5.401 -11.322 1.654 1.00 0.00 C ATOM 1132 O SER A 76 -4.328 -11.202 2.239 1.00 0.00 O ATOM 1133 CB SER A 76 -6.972 -13.269 1.814 1.00 0.00 C ATOM 1134 OG SER A 76 -6.385 -14.299 2.593 1.00 0.00 O ATOM 0 H SER A 76 -8.496 -11.302 1.644 1.00 0.00 H new ATOM 0 HA SER A 76 -6.370 -11.997 3.434 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.055 -13.393 1.796 1.00 0.00 H new ATOM 0 HB3 SER A 76 -6.626 -13.344 0.783 1.00 0.00 H new ATOM 0 HG SER A 76 -6.625 -15.171 2.216 1.00 0.00 H new ATOM 1140 N TYR A 77 -5.574 -10.969 0.382 1.00 0.00 N ATOM 1141 CA TYR A 77 -4.483 -10.406 -0.415 1.00 0.00 C ATOM 1142 C TYR A 77 -4.939 -9.141 -1.138 1.00 0.00 C ATOM 1143 O TYR A 77 -6.138 -8.873 -1.241 1.00 0.00 O ATOM 1144 CB TYR A 77 -3.961 -11.433 -1.423 1.00 0.00 C ATOM 1145 CG TYR A 77 -5.012 -11.939 -2.384 1.00 0.00 C ATOM 1146 CD1 TYR A 77 -5.826 -13.011 -2.048 1.00 0.00 C ATOM 1147 CD2 TYR A 77 -5.189 -11.343 -3.627 1.00 0.00 C ATOM 1148 CE1 TYR A 77 -6.788 -13.478 -2.923 1.00 0.00 C ATOM 1149 CE2 TYR A 77 -6.149 -11.803 -4.506 1.00 0.00 C ATOM 1150 CZ TYR A 77 -6.946 -12.871 -4.151 1.00 0.00 C ATOM 1151 OH TYR A 77 -7.905 -13.330 -5.024 1.00 0.00 O ATOM 0 H TYR A 77 -6.457 -11.062 -0.119 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.671 -10.144 0.263 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -3.147 -10.986 -1.993 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.542 -12.280 -0.880 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -5.706 -13.488 -1.087 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -4.566 -10.507 -3.910 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -7.413 -14.314 -2.647 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.275 -11.328 -5.468 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.886 -12.792 -5.843 1.00 0.00 H new ATOM 1161 N VAL A 78 -3.978 -8.361 -1.630 1.00 0.00 N ATOM 1162 CA VAL A 78 -4.291 -7.121 -2.333 1.00 0.00 C ATOM 1163 C VAL A 78 -3.193 -6.732 -3.326 1.00 0.00 C ATOM 1164 O VAL A 78 -2.006 -6.966 -3.085 1.00 0.00 O ATOM 1165 CB VAL A 78 -4.515 -5.960 -1.335 1.00 0.00 C ATOM 1166 CG1 VAL A 78 -3.241 -5.658 -0.557 1.00 0.00 C ATOM 1167 CG2 VAL A 78 -5.020 -4.716 -2.054 1.00 0.00 C ATOM 0 H VAL A 78 -2.982 -8.565 -1.555 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.210 -7.302 -2.891 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.279 -6.271 -0.622 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.425 -4.838 0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.936 -6.544 -0.000 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.449 -5.375 -1.251 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.170 -3.914 -1.331 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.287 -4.403 -2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.965 -4.940 -2.549 1.00 0.00 H new ATOM 1177 N ALA A 79 -3.608 -6.124 -4.435 1.00 0.00 N ATOM 1178 CA ALA A 79 -2.680 -5.679 -5.468 1.00 0.00 C ATOM 1179 C ALA A 79 -2.283 -4.226 -5.234 1.00 0.00 C ATOM 1180 O ALA A 79 -3.110 -3.412 -4.819 1.00 0.00 O ATOM 1181 CB ALA A 79 -3.297 -5.848 -6.850 1.00 0.00 C ATOM 0 H ALA A 79 -4.588 -5.928 -4.641 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.783 -6.296 -5.416 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.590 -5.511 -7.608 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.534 -6.899 -7.017 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.210 -5.256 -6.916 1.00 0.00 H new ATOM 1187 N LEU A 80 -1.020 -3.904 -5.489 1.00 0.00 N ATOM 1188 CA LEU A 80 -0.528 -2.546 -5.293 1.00 0.00 C ATOM 1189 C LEU A 80 0.147 -2.013 -6.553 1.00 0.00 C ATOM 1190 O LEU A 80 1.187 -2.521 -6.976 1.00 0.00 O ATOM 1191 CB LEU A 80 0.446 -2.497 -4.112 1.00 0.00 C ATOM 1192 CG LEU A 80 -0.163 -2.014 -2.792 1.00 0.00 C ATOM 1193 CD1 LEU A 80 -0.957 -3.134 -2.131 1.00 0.00 C ATOM 1194 CD2 LEU A 80 0.923 -1.496 -1.857 1.00 0.00 C ATOM 0 H LEU A 80 -0.320 -4.563 -5.831 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.385 -1.909 -5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.861 -3.494 -3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.277 -1.842 -4.373 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.845 -1.191 -3.007 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.383 -2.774 -1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.760 -3.452 -2.796 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.297 -3.978 -1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.470 -1.158 -0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.633 -2.296 -1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.444 -0.664 -2.330 1.00 0.00 H new ATOM 1206 N THR A 81 -0.447 -0.975 -7.135 1.00 0.00 N ATOM 1207 CA THR A 81 0.094 -0.347 -8.333 1.00 0.00 C ATOM 1208 C THR A 81 1.019 0.798 -7.935 1.00 0.00 C ATOM 1209 O THR A 81 0.553 1.877 -7.548 1.00 0.00 O ATOM 1210 CB THR A 81 -1.036 0.172 -9.226 1.00 0.00 C ATOM 1211 OG1 THR A 81 -1.973 -0.855 -9.504 1.00 0.00 O ATOM 1212 CG2 THR A 81 -0.551 0.724 -10.550 1.00 0.00 C ATOM 0 H THR A 81 -1.309 -0.550 -6.792 1.00 0.00 H new ATOM 0 HA THR A 81 0.660 -1.089 -8.896 1.00 0.00 H new ATOM 0 HB THR A 81 -1.497 0.982 -8.661 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.597 -1.469 -10.169 1.00 0.00 H new ATOM 0 HG21 THR A 81 -1.403 1.074 -11.132 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.131 1.555 -10.370 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.031 -0.059 -11.102 1.00 0.00 H new ATOM 1220 N VAL A 82 2.327 0.547 -8.008 1.00 0.00 N ATOM 1221 CA VAL A 82 3.321 1.548 -7.635 1.00 0.00 C ATOM 1222 C VAL A 82 4.187 1.966 -8.822 1.00 0.00 C ATOM 1223 O VAL A 82 4.062 1.427 -9.923 1.00 0.00 O ATOM 1224 CB VAL A 82 4.230 1.036 -6.490 1.00 0.00 C ATOM 1225 CG1 VAL A 82 3.398 0.458 -5.354 1.00 0.00 C ATOM 1226 CG2 VAL A 82 5.223 0.002 -7.004 1.00 0.00 C ATOM 0 H VAL A 82 2.720 -0.340 -8.322 1.00 0.00 H new ATOM 0 HA VAL A 82 2.766 2.421 -7.290 1.00 0.00 H new ATOM 0 HB VAL A 82 4.792 1.886 -6.104 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.059 0.105 -4.562 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.737 1.229 -4.958 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.802 -0.375 -5.727 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.849 -0.342 -6.181 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.681 -0.845 -7.426 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.850 0.451 -7.774 1.00 0.00 H new ATOM 1236 N GLN A 83 5.064 2.937 -8.581 1.00 0.00 N ATOM 1237 CA GLN A 83 5.960 3.454 -9.607 1.00 0.00 C ATOM 1238 C GLN A 83 7.350 3.690 -9.017 1.00 0.00 C ATOM 1239 O GLN A 83 7.482 4.016 -7.834 1.00 0.00 O ATOM 1240 CB GLN A 83 5.391 4.755 -10.182 1.00 0.00 C ATOM 1241 CG GLN A 83 6.287 5.428 -11.214 1.00 0.00 C ATOM 1242 CD GLN A 83 5.504 6.009 -12.378 1.00 0.00 C ATOM 1243 OE1 GLN A 83 5.639 5.562 -13.515 1.00 0.00 O ATOM 1244 NE2 GLN A 83 4.680 7.013 -12.097 1.00 0.00 N ATOM 0 H GLN A 83 5.172 3.385 -7.671 1.00 0.00 H new ATOM 0 HA GLN A 83 6.047 2.724 -10.412 1.00 0.00 H new ATOM 0 HB2 GLN A 83 4.424 4.544 -10.639 1.00 0.00 H new ATOM 0 HB3 GLN A 83 5.211 5.452 -9.364 1.00 0.00 H new ATOM 0 HG2 GLN A 83 6.857 6.222 -10.732 1.00 0.00 H new ATOM 0 HG3 GLN A 83 7.008 4.703 -11.592 1.00 0.00 H new ATOM 0 HE21 GLN A 83 4.599 7.353 -11.139 1.00 0.00 H new ATOM 0 HE22 GLN A 83 4.129 7.444 -12.840 1.00 0.00 H new ATOM 1253 N GLY A 84 8.382 3.519 -9.842 1.00 0.00 N ATOM 1254 CA GLY A 84 9.744 3.714 -9.374 1.00 0.00 C ATOM 1255 C GLY A 84 10.716 4.036 -10.493 1.00 0.00 C ATOM 1256 O GLY A 84 10.307 4.330 -11.619 1.00 0.00 O ATOM 0 H GLY A 84 8.299 3.250 -10.822 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.759 4.523 -8.644 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.078 2.813 -8.859 1.00 0.00 H new ATOM 1260 N ARG A 85 12.009 3.973 -10.180 1.00 0.00 N ATOM 1261 CA ARG A 85 13.058 4.249 -11.159 1.00 0.00 C ATOM 1262 C ARG A 85 13.690 2.943 -11.649 1.00 0.00 C ATOM 1263 O ARG A 85 13.810 1.983 -10.886 1.00 0.00 O ATOM 1264 CB ARG A 85 14.136 5.162 -10.556 1.00 0.00 C ATOM 1265 CG ARG A 85 14.797 4.597 -9.306 1.00 0.00 C ATOM 1266 CD ARG A 85 14.208 5.201 -8.041 1.00 0.00 C ATOM 1267 NE ARG A 85 14.370 4.321 -6.885 1.00 0.00 N ATOM 1268 CZ ARG A 85 15.502 4.209 -6.184 1.00 0.00 C ATOM 1269 NH1 ARG A 85 16.582 4.911 -6.526 1.00 0.00 N ATOM 1270 NH2 ARG A 85 15.554 3.389 -5.139 1.00 0.00 N ATOM 0 H ARG A 85 12.356 3.732 -9.252 1.00 0.00 H new ATOM 0 HA ARG A 85 12.605 4.760 -12.008 1.00 0.00 H new ATOM 0 HB2 ARG A 85 14.903 5.347 -11.308 1.00 0.00 H new ATOM 0 HB3 ARG A 85 13.688 6.126 -10.314 1.00 0.00 H new ATOM 0 HG2 ARG A 85 14.672 3.514 -9.285 1.00 0.00 H new ATOM 0 HG3 ARG A 85 15.869 4.794 -9.339 1.00 0.00 H new ATOM 0 HD2 ARG A 85 14.690 6.158 -7.838 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.148 5.404 -8.196 1.00 0.00 H new ATOM 0 HE ARG A 85 13.570 3.758 -6.596 1.00 0.00 H new ATOM 0 HH11 ARG A 85 16.548 5.540 -7.328 1.00 0.00 H new ATOM 0 HH12 ARG A 85 17.442 4.819 -5.985 1.00 0.00 H new ATOM 0 HH21 ARG A 85 14.731 2.847 -4.874 1.00 0.00 H new ATOM 0 HH22 ARG A 85 16.417 3.301 -4.602 1.00 0.00 H new ATOM 1284 N PRO A 86 14.098 2.890 -12.934 1.00 0.00 N ATOM 1285 CA PRO A 86 14.718 1.692 -13.529 1.00 0.00 C ATOM 1286 C PRO A 86 15.895 1.148 -12.703 1.00 0.00 C ATOM 1287 O PRO A 86 15.945 -0.047 -12.410 1.00 0.00 O ATOM 1288 CB PRO A 86 15.188 2.177 -14.905 1.00 0.00 C ATOM 1289 CG PRO A 86 14.302 3.333 -15.224 1.00 0.00 C ATOM 1290 CD PRO A 86 13.979 3.991 -13.911 1.00 0.00 C ATOM 0 HA PRO A 86 14.017 0.858 -13.575 1.00 0.00 H new ATOM 0 HB2 PRO A 86 16.236 2.476 -14.882 1.00 0.00 H new ATOM 0 HB3 PRO A 86 15.097 1.390 -15.654 1.00 0.00 H new ATOM 0 HG2 PRO A 86 14.800 4.031 -15.897 1.00 0.00 H new ATOM 0 HG3 PRO A 86 13.394 3.000 -15.726 1.00 0.00 H new ATOM 0 HD2 PRO A 86 14.672 4.802 -13.688 1.00 0.00 H new ATOM 0 HD3 PRO A 86 12.977 4.419 -13.913 1.00 0.00 H new ATOM 1298 N PRO A 87 16.856 2.013 -12.306 1.00 0.00 N ATOM 1299 CA PRO A 87 18.017 1.598 -11.506 1.00 0.00 C ATOM 1300 C PRO A 87 17.654 1.343 -10.043 1.00 0.00 C ATOM 1301 O PRO A 87 16.932 2.134 -9.430 1.00 0.00 O ATOM 1302 CB PRO A 87 18.966 2.790 -11.615 1.00 0.00 C ATOM 1303 CG PRO A 87 18.071 3.962 -11.816 1.00 0.00 C ATOM 1304 CD PRO A 87 16.886 3.460 -12.598 1.00 0.00 C ATOM 0 HA PRO A 87 18.442 0.660 -11.863 1.00 0.00 H new ATOM 0 HB2 PRO A 87 19.569 2.901 -10.714 1.00 0.00 H new ATOM 0 HB3 PRO A 87 19.658 2.671 -12.449 1.00 0.00 H new ATOM 0 HG2 PRO A 87 17.757 4.380 -10.860 1.00 0.00 H new ATOM 0 HG3 PRO A 87 18.586 4.756 -12.357 1.00 0.00 H new ATOM 0 HD2 PRO A 87 15.964 3.950 -12.285 1.00 0.00 H new ATOM 0 HD3 PRO A 87 17.002 3.650 -13.665 1.00 0.00 H new ATOM 1312 N GLY A 88 18.157 0.237 -9.491 1.00 0.00 N ATOM 1313 CA GLY A 88 17.874 -0.103 -8.108 1.00 0.00 C ATOM 1314 C GLY A 88 18.691 -1.286 -7.623 1.00 0.00 C ATOM 1315 O GLY A 88 18.369 -2.436 -7.934 1.00 0.00 O ATOM 0 H GLY A 88 18.756 -0.428 -9.980 1.00 0.00 H new ATOM 0 HA2 GLY A 88 18.079 0.760 -7.475 1.00 0.00 H new ATOM 0 HA3 GLY A 88 16.813 -0.330 -8.003 1.00 0.00 H new ATOM 1319 N SER A 89 19.754 -0.999 -6.861 1.00 0.00 N ATOM 1320 CA SER A 89 20.640 -2.036 -6.322 1.00 0.00 C ATOM 1321 C SER A 89 21.501 -2.674 -7.415 1.00 0.00 C ATOM 1322 O SER A 89 21.159 -2.535 -8.609 1.00 0.00 O ATOM 1323 CB SER A 89 19.828 -3.113 -5.590 1.00 0.00 C ATOM 1324 OG SER A 89 19.777 -2.854 -4.200 1.00 0.00 O ATOM 1325 OXT SER A 89 22.520 -3.303 -7.065 1.00 0.00 O ATOM 0 H SER A 89 20.022 -0.049 -6.603 1.00 0.00 H new ATOM 0 HA SER A 89 21.311 -1.552 -5.612 1.00 0.00 H new ATOM 0 HB2 SER A 89 18.816 -3.148 -5.994 1.00 0.00 H new ATOM 0 HB3 SER A 89 20.275 -4.092 -5.765 1.00 0.00 H new ATOM 0 HG SER A 89 19.253 -3.553 -3.756 1.00 0.00 H new TER 1331 SER A 89 ATOM 1332 N VAL B 90 -5.102 21.187 6.769 1.00 0.00 N ATOM 1333 CA VAL B 90 -4.708 19.953 6.033 1.00 0.00 C ATOM 1334 C VAL B 90 -4.244 18.862 6.998 1.00 0.00 C ATOM 1335 O VAL B 90 -3.491 19.130 7.934 1.00 0.00 O ATOM 1336 CB VAL B 90 -3.580 20.235 5.016 1.00 0.00 C ATOM 1337 CG1 VAL B 90 -4.112 21.036 3.836 1.00 0.00 C ATOM 1338 CG2 VAL B 90 -2.417 20.961 5.683 1.00 0.00 C ATOM 0 HA VAL B 90 -5.593 19.611 5.496 1.00 0.00 H new ATOM 0 HB VAL B 90 -3.211 19.280 4.642 1.00 0.00 H new ATOM 0 HG11 VAL B 90 -3.303 21.225 3.130 1.00 0.00 H new ATOM 0 HG12 VAL B 90 -4.902 20.472 3.340 1.00 0.00 H new ATOM 0 HG13 VAL B 90 -4.512 21.985 4.192 1.00 0.00 H new ATOM 0 HG21 VAL B 90 -1.635 21.149 4.947 1.00 0.00 H new ATOM 0 HG22 VAL B 90 -2.766 21.909 6.091 1.00 0.00 H new ATOM 0 HG23 VAL B 90 -2.017 20.345 6.488 1.00 0.00 H new ATOM 1350 N GLU B 91 -4.701 17.631 6.763 1.00 0.00 N ATOM 1351 CA GLU B 91 -4.333 16.498 7.612 1.00 0.00 C ATOM 1352 C GLU B 91 -3.276 15.624 6.936 1.00 0.00 C ATOM 1353 O GLU B 91 -3.170 15.597 5.709 1.00 0.00 O ATOM 1354 CB GLU B 91 -5.574 15.667 7.951 1.00 0.00 C ATOM 1355 CG GLU B 91 -6.159 15.974 9.322 1.00 0.00 C ATOM 1356 CD GLU B 91 -5.199 15.650 10.451 1.00 0.00 C ATOM 1357 OE1 GLU B 91 -4.893 14.455 10.646 1.00 0.00 O ATOM 1358 OE2 GLU B 91 -4.751 16.592 11.138 1.00 0.00 O ATOM 0 H GLU B 91 -5.326 17.394 5.993 1.00 0.00 H new ATOM 0 HA GLU B 91 -3.906 16.889 8.535 1.00 0.00 H new ATOM 0 HB2 GLU B 91 -6.337 15.843 7.192 1.00 0.00 H new ATOM 0 HB3 GLU B 91 -5.316 14.609 7.904 1.00 0.00 H new ATOM 0 HG2 GLU B 91 -6.428 17.029 9.370 1.00 0.00 H new ATOM 0 HG3 GLU B 91 -7.078 15.404 9.457 1.00 0.00 H new ATOM 1365 N ASN B 92 -2.492 14.916 7.750 1.00 0.00 N ATOM 1366 CA ASN B 92 -1.434 14.042 7.239 1.00 0.00 C ATOM 1367 C ASN B 92 -2.011 12.807 6.544 1.00 0.00 C ATOM 1368 O ASN B 92 -3.171 12.449 6.755 1.00 0.00 O ATOM 1369 CB ASN B 92 -0.500 13.617 8.378 1.00 0.00 C ATOM 1370 CG ASN B 92 0.963 13.689 7.982 1.00 0.00 C ATOM 1371 OD1 ASN B 92 1.519 12.563 7.545 1.00 0.00 O flip ATOM 1372 ND2 ASN B 92 1.587 14.746 8.065 1.00 0.00 N flip ATOM 0 H ASN B 92 -2.569 14.930 8.767 1.00 0.00 H new ATOM 0 HA ASN B 92 -0.866 14.607 6.500 1.00 0.00 H new ATOM 0 HB2 ASN B 92 -0.672 14.257 9.243 1.00 0.00 H new ATOM 0 HB3 ASN B 92 -0.742 12.599 8.682 1.00 0.00 H new ATOM 0 HD21 ASN B 92 1.122 15.587 8.406 1.00 0.00 H new ATOM 0 HD22 ASN B 92 2.569 14.781 7.793 1.00 0.00 H new ATOM 1379 N LYS B 93 -1.191 12.163 5.708 1.00 0.00 N ATOM 1380 CA LYS B 93 -1.616 10.973 4.972 1.00 0.00 C ATOM 1381 C LYS B 93 -0.566 9.854 5.059 1.00 0.00 C ATOM 1382 O LYS B 93 -0.041 9.401 4.040 1.00 0.00 O ATOM 1383 CB LYS B 93 -1.890 11.343 3.504 1.00 0.00 C ATOM 1384 CG LYS B 93 -2.603 10.259 2.703 1.00 0.00 C ATOM 1385 CD LYS B 93 -3.962 9.909 3.293 1.00 0.00 C ATOM 1386 CE LYS B 93 -4.997 9.643 2.206 1.00 0.00 C ATOM 1387 NZ LYS B 93 -4.559 8.578 1.259 1.00 0.00 N ATOM 0 H LYS B 93 -0.229 12.448 5.525 1.00 0.00 H new ATOM 0 HA LYS B 93 -2.533 10.597 5.426 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -2.491 12.252 3.477 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -0.942 11.573 3.017 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -2.731 10.595 1.674 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -1.981 9.364 2.671 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -3.867 9.028 3.928 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -4.304 10.726 3.929 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -5.940 9.350 2.668 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -5.185 10.563 1.653 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -5.349 8.324 0.633 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -3.763 8.927 0.688 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -4.259 7.739 1.795 1.00 0.00 H new ATOM 1401 N VAL B 94 -0.276 9.398 6.282 1.00 0.00 N ATOM 1402 CA VAL B 94 0.696 8.319 6.489 1.00 0.00 C ATOM 1403 C VAL B 94 0.002 7.066 7.019 1.00 0.00 C ATOM 1404 O VAL B 94 -0.864 7.152 7.890 1.00 0.00 O ATOM 1405 CB VAL B 94 1.825 8.722 7.467 1.00 0.00 C ATOM 1406 CG1 VAL B 94 2.734 9.768 6.839 1.00 0.00 C ATOM 1407 CG2 VAL B 94 1.254 9.219 8.790 1.00 0.00 C ATOM 0 H VAL B 94 -0.697 9.757 7.139 1.00 0.00 H new ATOM 0 HA VAL B 94 1.145 8.115 5.517 1.00 0.00 H new ATOM 0 HB VAL B 94 2.422 7.834 7.676 1.00 0.00 H new ATOM 0 HG11 VAL B 94 3.521 10.037 7.544 1.00 0.00 H new ATOM 0 HG12 VAL B 94 3.183 9.363 5.932 1.00 0.00 H new ATOM 0 HG13 VAL B 94 2.151 10.655 6.591 1.00 0.00 H new ATOM 0 HG21 VAL B 94 2.070 9.495 9.458 1.00 0.00 H new ATOM 0 HG22 VAL B 94 0.622 10.089 8.610 1.00 0.00 H new ATOM 0 HG23 VAL B 94 0.661 8.429 9.250 1.00 0.00 H new ATOM 1417 N THR B 95 0.379 5.904 6.484 1.00 0.00 N ATOM 1418 CA THR B 95 -0.224 4.636 6.900 1.00 0.00 C ATOM 1419 C THR B 95 0.790 3.490 6.836 1.00 0.00 C ATOM 1420 O THR B 95 1.710 3.511 6.020 1.00 0.00 O ATOM 1421 CB THR B 95 -1.432 4.326 6.005 1.00 0.00 C ATOM 1422 OG1 THR B 95 -2.340 5.416 5.992 1.00 0.00 O ATOM 1423 CG2 THR B 95 -2.206 3.095 6.428 1.00 0.00 C ATOM 0 H THR B 95 1.096 5.814 5.764 1.00 0.00 H new ATOM 0 HA THR B 95 -0.551 4.732 7.935 1.00 0.00 H new ATOM 0 HB THR B 95 -1.010 4.144 5.017 1.00 0.00 H new ATOM 0 HG1 THR B 95 -2.331 5.860 6.866 1.00 0.00 H new ATOM 0 HG21 THR B 95 -3.044 2.941 5.748 1.00 0.00 H new ATOM 0 HG22 THR B 95 -1.550 2.225 6.399 1.00 0.00 H new ATOM 0 HG23 THR B 95 -2.582 3.232 7.442 1.00 0.00 H new ATOM 1431 N ASP B 96 0.613 2.485 7.697 1.00 0.00 N ATOM 1432 CA ASP B 96 1.511 1.331 7.728 1.00 0.00 C ATOM 1433 C ASP B 96 0.722 0.024 7.633 1.00 0.00 C ATOM 1434 O ASP B 96 -0.345 -0.112 8.236 1.00 0.00 O ATOM 1435 CB ASP B 96 2.352 1.346 9.008 1.00 0.00 C ATOM 1436 CG ASP B 96 3.559 0.431 8.919 1.00 0.00 C ATOM 1437 OD1 ASP B 96 3.390 -0.796 9.083 1.00 0.00 O ATOM 1438 OD2 ASP B 96 4.673 0.941 8.685 1.00 0.00 O ATOM 0 H ASP B 96 -0.143 2.448 8.381 1.00 0.00 H new ATOM 0 HA ASP B 96 2.176 1.395 6.867 1.00 0.00 H new ATOM 0 HB2 ASP B 96 2.686 2.364 9.208 1.00 0.00 H new ATOM 0 HB3 ASP B 96 1.731 1.043 9.851 1.00 0.00 H new ATOM 1443 N LEU B 97 1.253 -0.934 6.870 1.00 0.00 N ATOM 1444 CA LEU B 97 0.597 -2.230 6.689 1.00 0.00 C ATOM 1445 C LEU B 97 1.492 -3.378 7.154 1.00 0.00 C ATOM 1446 O LEU B 97 2.603 -3.527 6.602 1.00 0.00 O ATOM 1447 CB LEU B 97 0.215 -2.429 5.218 1.00 0.00 C ATOM 1448 CG LEU B 97 -1.287 -2.400 4.930 1.00 0.00 C ATOM 1449 CD1 LEU B 97 -1.831 -0.984 5.056 1.00 0.00 C ATOM 1450 CD2 LEU B 97 -1.570 -2.961 3.545 1.00 0.00 C ATOM 1451 OXT LEU B 97 1.069 -4.124 8.063 1.00 0.00 O ATOM 0 H LEU B 97 2.135 -0.836 6.368 1.00 0.00 H new ATOM 0 HA LEU B 97 -0.305 -2.235 7.301 1.00 0.00 H new ATOM 0 HB2 LEU B 97 0.698 -1.653 4.625 1.00 0.00 H new ATOM 0 HB3 LEU B 97 0.616 -3.385 4.880 1.00 0.00 H new ATOM 0 HG LEU B 97 -1.792 -3.025 5.667 1.00 0.00 H new ATOM 0 HD11 LEU B 97 -2.901 -0.985 4.847 1.00 0.00 H new ATOM 0 HD12 LEU B 97 -1.659 -0.617 6.068 1.00 0.00 H new ATOM 0 HD13 LEU B 97 -1.323 -0.334 4.343 1.00 0.00 H new ATOM 0 HD21 LEU B 97 -2.643 -2.934 3.354 1.00 0.00 H new ATOM 0 HD22 LEU B 97 -1.053 -2.361 2.797 1.00 0.00 H new ATOM 0 HD23 LEU B 97 -1.217 -3.991 3.491 1.00 0.00 H new TER 1463 LEU B 97