USER MOD reduce.3.24.130724 H: found=0, std=0, add=1349, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1366 hydrogens (28 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 145 SER OG : rot 98:sc= 1.71 USER MOD Set 1.2: A 148 THR OG1 : rot 180:sc= -0.16 USER MOD Set 2.1: A 86 ASN : amide:sc= -1.09 K(o=0.56,f=-6!) USER MOD Set 2.2: A 89 SER OG : rot -44:sc= 1.65 USER MOD Set 3.1: A 80 CYS SG : rot 180:sc= -2.66! USER MOD Set 3.2: A 111 MET CE :methyl 148:sc= -1.65 (180deg=-1.36) USER MOD Set 4.1: A 32 TYR OH : rot 97:sc= 0.092 USER MOD Set 4.2: A 40 TYR OH : rot 180:sc= 0.0909 USER MOD Set 5.1: A 16 LYS NZ :NH3+ -170:sc= 2.63 (180deg=1.11) USER MOD Set 5.2: A 58 THR OG1 : rot -79:sc= 2.19 USER MOD Single : A 1 MET CE :methyl -170:sc= 0 (180deg=-0.0236) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0.156 USER MOD Single : A 5 LYS NZ :NH3+ 166:sc= 1.25 (180deg=0.851) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.00602 USER MOD Single : A 22 GLN : amide:sc= 0.761 K(o=0.76,f=-2.6) USER MOD Single : A 25 GLN : amide:sc= -1.33 K(o=-1.3,f=-6.1!) USER MOD Single : A 26 ASN : amide:sc= 0.978 K(o=0.98,f=-3.8!) USER MOD Single : A 27 HIS : no HE2:sc= -0.191 K(o=-0.19,f=-2!) USER MOD Single : A 35 THR OG1 : rot 88:sc= 1.21 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -173:sc= 0.369 (180deg=0.345) USER MOD Single : A 43 GLN : amide:sc= -2.67! K(o=-2.7!,f=-0.47) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.00649 USER MOD Single : A 51 CYS SG : rot 49:sc= 1.13 USER MOD Single : A 61 GLN : amide:sc= -1.56! C(o=-1.6!,f=-5.9!) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0.0455 USER MOD Single : A 67 MET CE :methyl -117:sc= -0.196 (180deg=-2.16!) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc=-0.00689 USER MOD Single : A 72 MET CE :methyl 175:sc= -0.401 (180deg=-0.484) USER MOD Single : A 74 THR OG1 : rot 180:sc= -1.5! USER MOD Single : A 85 ASN : amide:sc= -3.48! C(o=-3.5!,f=-8!) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 HIS : no HD1:sc= -0.25 X(o=-0.25,f=-0.0061) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.0399 K(o=-0.04,f=-0.92) USER MOD Single : A 101 LYS NZ :NH3+ 169:sc= 1.27 (180deg=1.05) USER MOD Single : A 104 LYS NZ :NH3+ -176:sc= 1.26 (180deg=1.24) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= 0.296 K(o=0.3,f=-6.1!) USER MOD Single : A 117 LYS NZ :NH3+ 167:sc= 1.24 (180deg=1.13) USER MOD Single : A 118 CYS SG : rot 180:sc= -0.297 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 THR OG1 : rot 180:sc= 0.00149 USER MOD Single : A 127 THR OG1 : rot -77:sc= 1.14 USER MOD Single : A 128 LYS NZ :NH3+ -168:sc= 1.25 (180deg=1.06) USER MOD Single : A 129 GLN : amide:sc= -1.46! K(o=-1.5!,f=-0.26) USER MOD Single : A 131 GLN : amide:sc= -0.0483 X(o=-0.048,f=-0.1) USER MOD Single : A 136 SER OG : rot 60:sc= 1.24 USER MOD Single : A 137 TYR OH : rot 30:sc= -0.636 USER MOD Single : A 144 THR OG1 : rot 170:sc= -0.122 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 157 TYR OH : rot 180:sc= 0 USER MOD Single : A 158 THR OG1 : rot 81:sc= 1.28 USER MOD Single : A 165 LYS NZ :NH3+ 151:sc= 1.24 (180deg=0.968) USER MOD Single : A 166 HIS : no HE2:sc= 0.932 K(o=0.93,f=-5.8!) USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 169 LYS NZ :NH3+ -129:sc= 1.23 (180deg=0.131) USER MOD Single : A 201 GDP O2' : rot 172:sc= 0.937 USER MOD Single : A 201 GDP O3' : rot -152:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.716 9.082 9.242 1.00 0.55 N ATOM 2 CA MET A 1 18.498 9.081 8.410 1.00 0.44 C ATOM 3 C MET A 1 18.497 7.876 7.482 1.00 0.43 C ATOM 4 O MET A 1 19.481 7.618 6.787 1.00 0.60 O ATOM 5 CB MET A 1 18.415 10.379 7.603 1.00 0.50 C ATOM 6 CG MET A 1 17.150 10.496 6.768 1.00 0.53 C ATOM 7 SD MET A 1 17.396 10.014 5.046 1.00 1.04 S ATOM 8 CE MET A 1 18.277 11.439 4.410 1.00 1.48 C ATOM 0 H1 MET A 1 19.706 9.910 9.872 1.00 0.55 H new ATOM 0 H2 MET A 1 19.747 8.213 9.813 1.00 0.55 H new ATOM 0 H3 MET A 1 20.555 9.124 8.629 1.00 0.55 H new ATOM 0 HA MET A 1 17.625 9.017 9.059 1.00 0.44 H new ATOM 0 HB2 MET A 1 18.469 11.226 8.287 1.00 0.50 H new ATOM 0 HB3 MET A 1 19.282 10.444 6.945 1.00 0.50 H new ATOM 0 HG2 MET A 1 16.372 9.871 7.207 1.00 0.53 H new ATOM 0 HG3 MET A 1 16.791 11.525 6.804 1.00 0.53 H new ATOM 0 HE1 MET A 1 18.343 11.371 3.324 1.00 1.48 H new ATOM 0 HE2 MET A 1 17.744 12.349 4.685 1.00 1.48 H new ATOM 0 HE3 MET A 1 19.281 11.465 4.834 1.00 1.48 H new ATOM 20 N THR A 2 17.401 7.133 7.484 1.00 0.36 N ATOM 21 CA THR A 2 17.279 5.953 6.644 1.00 0.41 C ATOM 22 C THR A 2 16.203 6.152 5.578 1.00 0.33 C ATOM 23 O THR A 2 15.144 6.715 5.857 1.00 0.35 O ATOM 24 CB THR A 2 16.925 4.711 7.483 1.00 0.57 C ATOM 25 OG1 THR A 2 17.231 4.943 8.863 1.00 1.04 O ATOM 26 CG2 THR A 2 17.698 3.497 7.001 1.00 0.91 C ATOM 0 H THR A 2 16.582 7.327 8.060 1.00 0.36 H new ATOM 0 HA THR A 2 18.244 5.799 6.162 1.00 0.41 H new ATOM 0 HB THR A 2 15.857 4.522 7.370 1.00 0.57 H new ATOM 0 HG1 THR A 2 17.000 4.148 9.387 1.00 1.04 H new ATOM 0 HG21 THR A 2 17.432 2.632 7.608 1.00 0.91 H new ATOM 0 HG22 THR A 2 17.450 3.299 5.958 1.00 0.91 H new ATOM 0 HG23 THR A 2 18.767 3.688 7.090 1.00 0.91 H new ATOM 34 N GLU A 3 16.483 5.703 4.364 1.00 0.31 N ATOM 35 CA GLU A 3 15.533 5.814 3.266 1.00 0.26 C ATOM 36 C GLU A 3 14.758 4.511 3.130 1.00 0.24 C ATOM 37 O GLU A 3 15.348 3.427 3.123 1.00 0.37 O ATOM 38 CB GLU A 3 16.264 6.145 1.964 1.00 0.37 C ATOM 39 CG GLU A 3 15.339 6.331 0.771 1.00 0.42 C ATOM 40 CD GLU A 3 16.096 6.564 -0.520 1.00 0.62 C ATOM 41 OE1 GLU A 3 15.889 7.622 -1.154 1.00 1.15 O ATOM 42 OE2 GLU A 3 16.909 5.695 -0.903 1.00 1.27 O ATOM 0 H GLU A 3 17.365 5.256 4.113 1.00 0.31 H new ATOM 0 HA GLU A 3 14.832 6.622 3.477 1.00 0.26 H new ATOM 0 HB2 GLU A 3 16.846 7.056 2.106 1.00 0.37 H new ATOM 0 HB3 GLU A 3 16.972 5.346 1.742 1.00 0.37 H new ATOM 0 HG2 GLU A 3 14.708 5.449 0.664 1.00 0.42 H new ATOM 0 HG3 GLU A 3 14.677 7.176 0.957 1.00 0.42 H new ATOM 49 N TYR A 4 13.442 4.612 3.039 1.00 0.19 N ATOM 50 CA TYR A 4 12.596 3.439 2.915 1.00 0.25 C ATOM 51 C TYR A 4 11.787 3.508 1.633 1.00 0.21 C ATOM 52 O TYR A 4 11.075 4.485 1.394 1.00 0.21 O ATOM 53 CB TYR A 4 11.643 3.332 4.109 1.00 0.37 C ATOM 54 CG TYR A 4 12.315 3.039 5.425 1.00 0.53 C ATOM 55 CD1 TYR A 4 12.377 1.745 5.922 1.00 0.91 C ATOM 56 CD2 TYR A 4 12.882 4.058 6.175 1.00 0.78 C ATOM 57 CE1 TYR A 4 12.991 1.474 7.131 1.00 1.06 C ATOM 58 CE2 TYR A 4 13.495 3.798 7.380 1.00 0.93 C ATOM 59 CZ TYR A 4 13.549 2.507 7.855 1.00 0.91 C ATOM 60 OH TYR A 4 14.169 2.247 9.058 1.00 1.11 O ATOM 0 H TYR A 4 12.936 5.498 3.049 1.00 0.19 H new ATOM 0 HA TYR A 4 13.239 2.559 2.892 1.00 0.25 H new ATOM 0 HB2 TYR A 4 11.089 4.266 4.199 1.00 0.37 H new ATOM 0 HB3 TYR A 4 10.914 2.547 3.906 1.00 0.37 H new ATOM 0 HD1 TYR A 4 11.939 0.937 5.356 1.00 0.91 H new ATOM 0 HD2 TYR A 4 12.842 5.073 5.808 1.00 0.78 H new ATOM 0 HE1 TYR A 4 13.033 0.462 7.505 1.00 1.06 H new ATOM 0 HE2 TYR A 4 13.932 4.604 7.951 1.00 0.93 H new ATOM 0 HH TYR A 4 14.509 3.084 9.438 1.00 1.11 H new ATOM 70 N LYS A 5 11.903 2.480 0.810 1.00 0.24 N ATOM 71 CA LYS A 5 11.173 2.423 -0.447 1.00 0.26 C ATOM 72 C LYS A 5 9.879 1.628 -0.280 1.00 0.24 C ATOM 73 O LYS A 5 9.896 0.401 -0.151 1.00 0.29 O ATOM 74 CB LYS A 5 12.049 1.817 -1.546 1.00 0.40 C ATOM 75 CG LYS A 5 12.487 2.835 -2.586 1.00 0.81 C ATOM 76 CD LYS A 5 13.622 2.311 -3.454 1.00 0.65 C ATOM 77 CE LYS A 5 13.805 3.168 -4.699 1.00 0.62 C ATOM 78 NZ LYS A 5 13.791 4.621 -4.378 1.00 0.71 N ATOM 0 H LYS A 5 12.497 1.671 0.990 1.00 0.24 H new ATOM 0 HA LYS A 5 10.910 3.439 -0.743 1.00 0.26 H new ATOM 0 HB2 LYS A 5 12.932 1.367 -1.092 1.00 0.40 H new ATOM 0 HB3 LYS A 5 11.500 1.015 -2.039 1.00 0.40 H new ATOM 0 HG2 LYS A 5 11.638 3.096 -3.218 1.00 0.81 H new ATOM 0 HG3 LYS A 5 12.805 3.750 -2.086 1.00 0.81 H new ATOM 0 HD2 LYS A 5 14.548 2.299 -2.878 1.00 0.65 H new ATOM 0 HD3 LYS A 5 13.415 1.281 -3.745 1.00 0.65 H new ATOM 0 HE2 LYS A 5 14.748 2.912 -5.181 1.00 0.62 H new ATOM 0 HE3 LYS A 5 13.012 2.946 -5.413 1.00 0.62 H new ATOM 0 HZ1 LYS A 5 14.150 5.160 -5.192 1.00 0.71 H new ATOM 0 HZ2 LYS A 5 12.818 4.920 -4.166 1.00 0.71 H new ATOM 0 HZ3 LYS A 5 14.396 4.800 -3.551 1.00 0.71 H new ATOM 92 N LEU A 6 8.762 2.342 -0.286 1.00 0.26 N ATOM 93 CA LEU A 6 7.451 1.728 -0.103 1.00 0.33 C ATOM 94 C LEU A 6 6.627 1.800 -1.380 1.00 0.27 C ATOM 95 O LEU A 6 6.530 2.849 -2.019 1.00 0.29 O ATOM 96 CB LEU A 6 6.686 2.431 1.025 1.00 0.45 C ATOM 97 CG LEU A 6 7.107 2.084 2.461 1.00 0.70 C ATOM 98 CD1 LEU A 6 8.446 2.713 2.801 1.00 1.39 C ATOM 99 CD2 LEU A 6 6.050 2.551 3.452 1.00 1.08 C ATOM 0 H LEU A 6 8.736 3.353 -0.416 1.00 0.26 H new ATOM 0 HA LEU A 6 7.611 0.681 0.156 1.00 0.33 H new ATOM 0 HB2 LEU A 6 6.792 3.507 0.889 1.00 0.45 H new ATOM 0 HB3 LEU A 6 5.627 2.199 0.915 1.00 0.45 H new ATOM 0 HG LEU A 6 7.206 1.001 2.529 1.00 0.70 H new ATOM 0 HD11 LEU A 6 8.721 2.452 3.823 1.00 1.39 H new ATOM 0 HD12 LEU A 6 9.207 2.342 2.114 1.00 1.39 H new ATOM 0 HD13 LEU A 6 8.372 3.797 2.710 1.00 1.39 H new ATOM 0 HD21 LEU A 6 6.363 2.298 4.465 1.00 1.08 H new ATOM 0 HD22 LEU A 6 5.926 3.631 3.370 1.00 1.08 H new ATOM 0 HD23 LEU A 6 5.102 2.059 3.232 1.00 1.08 H new ATOM 111 N VAL A 7 6.022 0.687 -1.745 1.00 0.26 N ATOM 112 CA VAL A 7 5.198 0.636 -2.937 1.00 0.26 C ATOM 113 C VAL A 7 3.761 0.283 -2.577 1.00 0.30 C ATOM 114 O VAL A 7 3.499 -0.745 -1.955 1.00 0.39 O ATOM 115 CB VAL A 7 5.726 -0.386 -3.967 1.00 0.32 C ATOM 116 CG1 VAL A 7 4.990 -0.238 -5.290 1.00 0.81 C ATOM 117 CG2 VAL A 7 7.222 -0.229 -4.174 1.00 0.74 C ATOM 0 H VAL A 7 6.085 -0.194 -1.234 1.00 0.26 H new ATOM 0 HA VAL A 7 5.237 1.627 -3.389 1.00 0.26 H new ATOM 0 HB VAL A 7 5.541 -1.386 -3.574 1.00 0.32 H new ATOM 0 HG11 VAL A 7 5.375 -0.966 -6.004 1.00 0.81 H new ATOM 0 HG12 VAL A 7 3.925 -0.410 -5.135 1.00 0.81 H new ATOM 0 HG13 VAL A 7 5.142 0.768 -5.680 1.00 0.81 H new ATOM 0 HG21 VAL A 7 7.567 -0.961 -4.904 1.00 0.74 H new ATOM 0 HG22 VAL A 7 7.435 0.776 -4.539 1.00 0.74 H new ATOM 0 HG23 VAL A 7 7.739 -0.389 -3.228 1.00 0.74 H new ATOM 127 N VAL A 8 2.836 1.153 -2.941 1.00 0.28 N ATOM 128 CA VAL A 8 1.435 0.915 -2.670 1.00 0.33 C ATOM 129 C VAL A 8 0.793 0.265 -3.883 1.00 0.37 C ATOM 130 O VAL A 8 0.803 0.836 -4.971 1.00 0.41 O ATOM 131 CB VAL A 8 0.698 2.222 -2.317 1.00 0.37 C ATOM 132 CG1 VAL A 8 -0.779 1.950 -2.079 1.00 0.44 C ATOM 133 CG2 VAL A 8 1.328 2.877 -1.093 1.00 0.37 C ATOM 0 H VAL A 8 3.032 2.029 -3.425 1.00 0.28 H new ATOM 0 HA VAL A 8 1.358 0.251 -1.809 1.00 0.33 H new ATOM 0 HB VAL A 8 0.790 2.909 -3.158 1.00 0.37 H new ATOM 0 HG11 VAL A 8 -1.285 2.883 -1.831 1.00 0.44 H new ATOM 0 HG12 VAL A 8 -1.221 1.526 -2.981 1.00 0.44 H new ATOM 0 HG13 VAL A 8 -0.891 1.246 -1.255 1.00 0.44 H new ATOM 0 HG21 VAL A 8 0.795 3.798 -0.858 1.00 0.37 H new ATOM 0 HG22 VAL A 8 1.267 2.196 -0.244 1.00 0.37 H new ATOM 0 HG23 VAL A 8 2.373 3.105 -1.300 1.00 0.37 H new ATOM 143 N VAL A 9 0.261 -0.933 -3.712 1.00 0.40 N ATOM 144 CA VAL A 9 -0.359 -1.645 -4.815 1.00 0.46 C ATOM 145 C VAL A 9 -1.841 -1.857 -4.561 1.00 0.52 C ATOM 146 O VAL A 9 -2.298 -1.841 -3.418 1.00 0.70 O ATOM 147 CB VAL A 9 0.320 -3.009 -5.061 1.00 0.49 C ATOM 148 CG1 VAL A 9 1.603 -2.832 -5.855 1.00 0.51 C ATOM 149 CG2 VAL A 9 0.601 -3.724 -3.743 1.00 0.59 C ATOM 0 H VAL A 9 0.246 -1.432 -2.822 1.00 0.40 H new ATOM 0 HA VAL A 9 -0.233 -1.028 -5.704 1.00 0.46 H new ATOM 0 HB VAL A 9 -0.364 -3.627 -5.643 1.00 0.49 H new ATOM 0 HG11 VAL A 9 2.067 -3.805 -6.018 1.00 0.51 H new ATOM 0 HG12 VAL A 9 1.375 -2.373 -6.817 1.00 0.51 H new ATOM 0 HG13 VAL A 9 2.289 -2.191 -5.300 1.00 0.51 H new ATOM 0 HG21 VAL A 9 1.080 -4.683 -3.944 1.00 0.59 H new ATOM 0 HG22 VAL A 9 1.261 -3.110 -3.130 1.00 0.59 H new ATOM 0 HG23 VAL A 9 -0.336 -3.891 -3.212 1.00 0.59 H new ATOM 159 N GLY A 10 -2.591 -2.054 -5.628 1.00 0.44 N ATOM 160 CA GLY A 10 -4.015 -2.267 -5.498 1.00 0.51 C ATOM 161 C GLY A 10 -4.732 -2.092 -6.820 1.00 0.51 C ATOM 162 O GLY A 10 -4.133 -1.639 -7.794 1.00 0.53 O ATOM 0 H GLY A 10 -2.240 -2.071 -6.586 1.00 0.44 H new ATOM 0 HA2 GLY A 10 -4.199 -3.271 -5.115 1.00 0.51 H new ATOM 0 HA3 GLY A 10 -4.422 -1.567 -4.768 1.00 0.51 H new ATOM 166 N ALA A 11 -6.009 -2.444 -6.857 1.00 0.52 N ATOM 167 CA ALA A 11 -6.802 -2.327 -8.074 1.00 0.53 C ATOM 168 C ALA A 11 -7.080 -0.866 -8.426 1.00 0.50 C ATOM 169 O ALA A 11 -6.775 0.043 -7.650 1.00 0.50 O ATOM 170 CB ALA A 11 -8.106 -3.090 -7.914 1.00 0.58 C ATOM 0 H ALA A 11 -6.520 -2.814 -6.056 1.00 0.52 H new ATOM 0 HA ALA A 11 -6.229 -2.759 -8.895 1.00 0.53 H new ATOM 0 HB1 ALA A 11 -8.695 -2.999 -8.827 1.00 0.58 H new ATOM 0 HB2 ALA A 11 -7.891 -4.142 -7.724 1.00 0.58 H new ATOM 0 HB3 ALA A 11 -8.669 -2.677 -7.077 1.00 0.58 H new ATOM 176 N GLY A 12 -7.673 -0.648 -9.587 1.00 0.55 N ATOM 177 CA GLY A 12 -7.964 0.703 -10.021 1.00 0.54 C ATOM 178 C GLY A 12 -9.215 1.263 -9.374 1.00 0.54 C ATOM 179 O GLY A 12 -10.322 0.775 -9.620 1.00 0.80 O ATOM 0 H GLY A 12 -7.959 -1.380 -10.237 1.00 0.55 H new ATOM 0 HA2 GLY A 12 -7.117 1.347 -9.785 1.00 0.54 H new ATOM 0 HA3 GLY A 12 -8.082 0.716 -11.104 1.00 0.54 H new ATOM 183 N GLY A 13 -9.039 2.272 -8.530 1.00 0.34 N ATOM 184 CA GLY A 13 -10.173 2.892 -7.879 1.00 0.40 C ATOM 185 C GLY A 13 -10.233 2.630 -6.386 1.00 0.40 C ATOM 186 O GLY A 13 -11.174 3.057 -5.724 1.00 0.42 O ATOM 0 H GLY A 13 -8.132 2.670 -8.286 1.00 0.34 H new ATOM 0 HA2 GLY A 13 -10.136 3.968 -8.050 1.00 0.40 H new ATOM 0 HA3 GLY A 13 -11.091 2.528 -8.341 1.00 0.40 H new ATOM 190 N VAL A 14 -9.224 1.954 -5.842 1.00 0.39 N ATOM 191 CA VAL A 14 -9.206 1.653 -4.405 1.00 0.41 C ATOM 192 C VAL A 14 -8.836 2.883 -3.581 1.00 0.44 C ATOM 193 O VAL A 14 -9.078 2.928 -2.374 1.00 0.57 O ATOM 194 CB VAL A 14 -8.248 0.498 -4.061 1.00 0.42 C ATOM 195 CG1 VAL A 14 -8.772 -0.810 -4.630 1.00 0.41 C ATOM 196 CG2 VAL A 14 -6.844 0.783 -4.564 1.00 0.43 C ATOM 0 H VAL A 14 -8.418 1.607 -6.361 1.00 0.39 H new ATOM 0 HA VAL A 14 -10.219 1.343 -4.149 1.00 0.41 H new ATOM 0 HB VAL A 14 -8.198 0.408 -2.976 1.00 0.42 H new ATOM 0 HG11 VAL A 14 -8.084 -1.617 -4.379 1.00 0.41 H new ATOM 0 HG12 VAL A 14 -9.753 -1.024 -4.206 1.00 0.41 H new ATOM 0 HG13 VAL A 14 -8.855 -0.728 -5.714 1.00 0.41 H new ATOM 0 HG21 VAL A 14 -6.189 -0.050 -4.307 1.00 0.43 H new ATOM 0 HG22 VAL A 14 -6.864 0.908 -5.647 1.00 0.43 H new ATOM 0 HG23 VAL A 14 -6.470 1.696 -4.100 1.00 0.43 H new ATOM 206 N GLY A 15 -8.252 3.881 -4.232 1.00 0.39 N ATOM 207 CA GLY A 15 -7.885 5.100 -3.536 1.00 0.42 C ATOM 208 C GLY A 15 -6.410 5.186 -3.200 1.00 0.43 C ATOM 209 O GLY A 15 -6.032 5.903 -2.276 1.00 0.49 O ATOM 0 H GLY A 15 -8.026 3.869 -5.227 1.00 0.39 H new ATOM 0 HA2 GLY A 15 -8.159 5.957 -4.152 1.00 0.42 H new ATOM 0 HA3 GLY A 15 -8.464 5.171 -2.615 1.00 0.42 H new ATOM 213 N LYS A 16 -5.576 4.490 -3.971 1.00 0.41 N ATOM 214 CA LYS A 16 -4.131 4.490 -3.744 1.00 0.45 C ATOM 215 C LYS A 16 -3.566 5.909 -3.694 1.00 0.47 C ATOM 216 O LYS A 16 -2.949 6.307 -2.706 1.00 0.58 O ATOM 217 CB LYS A 16 -3.420 3.687 -4.840 1.00 0.46 C ATOM 218 CG LYS A 16 -3.791 2.214 -4.859 1.00 0.65 C ATOM 219 CD LYS A 16 -2.938 1.431 -5.851 1.00 0.79 C ATOM 220 CE LYS A 16 -3.432 1.594 -7.283 1.00 0.78 C ATOM 221 NZ LYS A 16 -2.707 0.708 -8.237 1.00 0.81 N ATOM 0 H LYS A 16 -5.877 3.918 -4.760 1.00 0.41 H new ATOM 0 HA LYS A 16 -3.952 4.022 -2.776 1.00 0.45 H new ATOM 0 HB2 LYS A 16 -3.657 4.124 -5.810 1.00 0.46 H new ATOM 0 HB3 LYS A 16 -2.342 3.779 -4.704 1.00 0.46 H new ATOM 0 HG2 LYS A 16 -3.666 1.794 -3.861 1.00 0.65 H new ATOM 0 HG3 LYS A 16 -4.844 2.107 -5.120 1.00 0.65 H new ATOM 0 HD2 LYS A 16 -1.903 1.768 -5.784 1.00 0.79 H new ATOM 0 HD3 LYS A 16 -2.948 0.375 -5.582 1.00 0.79 H new ATOM 0 HE2 LYS A 16 -4.498 1.373 -7.324 1.00 0.78 H new ATOM 0 HE3 LYS A 16 -3.310 2.632 -7.591 1.00 0.78 H new ATOM 0 HZ1 LYS A 16 -2.954 0.972 -9.212 1.00 0.81 H new ATOM 0 HZ2 LYS A 16 -1.682 0.814 -8.099 1.00 0.81 H new ATOM 0 HZ3 LYS A 16 -2.978 -0.281 -8.067 1.00 0.81 H new ATOM 235 N SER A 17 -3.805 6.677 -4.752 1.00 0.40 N ATOM 236 CA SER A 17 -3.299 8.046 -4.842 1.00 0.41 C ATOM 237 C SER A 17 -3.775 8.927 -3.682 1.00 0.40 C ATOM 238 O SER A 17 -2.959 9.539 -2.993 1.00 0.58 O ATOM 239 CB SER A 17 -3.716 8.672 -6.177 1.00 0.43 C ATOM 240 OG SER A 17 -3.755 7.694 -7.221 1.00 0.44 O ATOM 0 H SER A 17 -4.347 6.376 -5.562 1.00 0.40 H new ATOM 0 HA SER A 17 -2.212 7.991 -4.780 1.00 0.41 H new ATOM 0 HB2 SER A 17 -4.697 9.135 -6.073 1.00 0.43 H new ATOM 0 HB3 SER A 17 -3.016 9.464 -6.444 1.00 0.43 H new ATOM 246 N ALA A 18 -5.089 8.958 -3.465 1.00 0.41 N ATOM 247 CA ALA A 18 -5.699 9.788 -2.422 1.00 0.40 C ATOM 248 C ALA A 18 -5.102 9.521 -1.045 1.00 0.41 C ATOM 249 O ALA A 18 -4.893 10.451 -0.263 1.00 0.43 O ATOM 250 CB ALA A 18 -7.205 9.569 -2.395 1.00 0.43 C ATOM 0 H ALA A 18 -5.761 8.411 -4.004 1.00 0.41 H new ATOM 0 HA ALA A 18 -5.486 10.828 -2.668 1.00 0.40 H new ATOM 0 HB1 ALA A 18 -7.649 10.190 -1.617 1.00 0.43 H new ATOM 0 HB2 ALA A 18 -7.629 9.840 -3.362 1.00 0.43 H new ATOM 0 HB3 ALA A 18 -7.416 8.520 -2.187 1.00 0.43 H new ATOM 256 N LEU A 19 -4.817 8.257 -0.757 1.00 0.44 N ATOM 257 CA LEU A 19 -4.249 7.874 0.529 1.00 0.50 C ATOM 258 C LEU A 19 -2.883 8.522 0.749 1.00 0.48 C ATOM 259 O LEU A 19 -2.605 9.045 1.828 1.00 0.51 O ATOM 260 CB LEU A 19 -4.139 6.354 0.633 1.00 0.60 C ATOM 261 CG LEU A 19 -5.465 5.630 0.874 1.00 0.76 C ATOM 262 CD1 LEU A 19 -5.297 4.132 0.702 1.00 0.92 C ATOM 263 CD2 LEU A 19 -6.007 5.954 2.256 1.00 0.79 C ATOM 0 H LEU A 19 -4.970 7.479 -1.398 1.00 0.44 H new ATOM 0 HA LEU A 19 -4.920 8.233 1.310 1.00 0.50 H new ATOM 0 HB2 LEU A 19 -3.695 5.972 -0.286 1.00 0.60 H new ATOM 0 HB3 LEU A 19 -3.454 6.108 1.444 1.00 0.60 H new ATOM 0 HG LEU A 19 -6.185 5.979 0.133 1.00 0.76 H new ATOM 0 HD11 LEU A 19 -6.252 3.636 0.878 1.00 0.92 H new ATOM 0 HD12 LEU A 19 -4.958 3.918 -0.312 1.00 0.92 H new ATOM 0 HD13 LEU A 19 -4.560 3.764 1.416 1.00 0.92 H new ATOM 0 HD21 LEU A 19 -6.950 5.430 2.409 1.00 0.79 H new ATOM 0 HD22 LEU A 19 -5.289 5.637 3.012 1.00 0.79 H new ATOM 0 HD23 LEU A 19 -6.171 7.028 2.340 1.00 0.79 H new ATOM 275 N THR A 20 -2.038 8.502 -0.275 1.00 0.49 N ATOM 276 CA THR A 20 -0.712 9.098 -0.173 1.00 0.54 C ATOM 277 C THR A 20 -0.793 10.625 -0.202 1.00 0.49 C ATOM 278 O THR A 20 -0.082 11.305 0.538 1.00 0.50 O ATOM 279 CB THR A 20 0.204 8.612 -1.309 1.00 0.64 C ATOM 280 OG1 THR A 20 -0.107 7.249 -1.630 1.00 0.89 O ATOM 281 CG2 THR A 20 1.671 8.723 -0.911 1.00 0.74 C ATOM 0 H THR A 20 -2.246 8.082 -1.181 1.00 0.49 H new ATOM 0 HA THR A 20 -0.289 8.783 0.781 1.00 0.54 H new ATOM 0 HB THR A 20 0.035 9.243 -2.181 1.00 0.64 H new ATOM 0 HG1 THR A 20 0.477 6.942 -2.355 1.00 0.89 H new ATOM 0 HG21 THR A 20 2.298 8.373 -1.731 1.00 0.74 H new ATOM 0 HG22 THR A 20 1.910 9.763 -0.689 1.00 0.74 H new ATOM 0 HG23 THR A 20 1.855 8.112 -0.027 1.00 0.74 H new ATOM 289 N ILE A 21 -1.672 11.159 -1.046 1.00 0.48 N ATOM 290 CA ILE A 21 -1.854 12.603 -1.161 1.00 0.50 C ATOM 291 C ILE A 21 -2.309 13.193 0.175 1.00 0.43 C ATOM 292 O ILE A 21 -1.948 14.318 0.528 1.00 0.43 O ATOM 293 CB ILE A 21 -2.876 12.961 -2.265 1.00 0.59 C ATOM 294 CG1 ILE A 21 -2.378 12.474 -3.628 1.00 0.63 C ATOM 295 CG2 ILE A 21 -3.119 14.464 -2.304 1.00 0.79 C ATOM 296 CD1 ILE A 21 -3.446 12.491 -4.701 1.00 0.76 C ATOM 0 H ILE A 21 -2.272 10.611 -1.663 1.00 0.48 H new ATOM 0 HA ILE A 21 -0.891 13.033 -1.436 1.00 0.50 H new ATOM 0 HB ILE A 21 -3.818 12.463 -2.035 1.00 0.59 H new ATOM 0 HG12 ILE A 21 -1.544 13.100 -3.946 1.00 0.63 H new ATOM 0 HG13 ILE A 21 -1.994 11.459 -3.525 1.00 0.63 H new ATOM 0 HG21 ILE A 21 -3.841 14.696 -3.087 1.00 0.79 H new ATOM 0 HG22 ILE A 21 -3.509 14.795 -1.341 1.00 0.79 H new ATOM 0 HG23 ILE A 21 -2.181 14.979 -2.511 1.00 0.79 H new ATOM 0 HD11 ILE A 21 -3.024 12.134 -5.640 1.00 0.76 H new ATOM 0 HD12 ILE A 21 -4.271 11.843 -4.404 1.00 0.76 H new ATOM 0 HD13 ILE A 21 -3.814 13.509 -4.832 1.00 0.76 H new ATOM 308 N GLN A 22 -3.073 12.409 0.924 1.00 0.41 N ATOM 309 CA GLN A 22 -3.571 12.829 2.228 1.00 0.37 C ATOM 310 C GLN A 22 -2.434 12.964 3.236 1.00 0.37 C ATOM 311 O GLN A 22 -2.559 13.666 4.235 1.00 0.46 O ATOM 312 CB GLN A 22 -4.596 11.823 2.740 1.00 0.40 C ATOM 313 CG GLN A 22 -6.040 12.236 2.499 1.00 0.43 C ATOM 314 CD GLN A 22 -6.553 13.216 3.540 1.00 0.36 C ATOM 315 OE1 GLN A 22 -5.808 14.049 4.053 1.00 0.35 O ATOM 316 NE2 GLN A 22 -7.833 13.122 3.865 1.00 0.41 N ATOM 0 H GLN A 22 -3.364 11.471 0.648 1.00 0.41 H new ATOM 0 HA GLN A 22 -4.042 13.805 2.112 1.00 0.37 H new ATOM 0 HB2 GLN A 22 -4.418 10.861 2.258 1.00 0.40 H new ATOM 0 HB3 GLN A 22 -4.444 11.677 3.809 1.00 0.40 H new ATOM 0 HG2 GLN A 22 -6.124 12.686 1.510 1.00 0.43 H new ATOM 0 HG3 GLN A 22 -6.672 11.348 2.500 1.00 0.43 H new ATOM 0 HE21 GLN A 22 -8.422 12.419 3.419 1.00 0.41 H new ATOM 0 HE22 GLN A 22 -8.230 13.753 4.561 1.00 0.41 H new ATOM 325 N LEU A 23 -1.325 12.291 2.972 1.00 0.41 N ATOM 326 CA LEU A 23 -0.175 12.347 3.862 1.00 0.44 C ATOM 327 C LEU A 23 0.852 13.351 3.350 1.00 0.40 C ATOM 328 O LEU A 23 1.572 13.972 4.131 1.00 0.49 O ATOM 329 CB LEU A 23 0.461 10.963 4.002 1.00 0.54 C ATOM 330 CG LEU A 23 0.723 10.516 5.443 1.00 1.06 C ATOM 331 CD1 LEU A 23 -0.580 10.151 6.139 1.00 1.37 C ATOM 332 CD2 LEU A 23 1.695 9.348 5.473 1.00 1.25 C ATOM 0 H LEU A 23 -1.196 11.701 2.150 1.00 0.41 H new ATOM 0 HA LEU A 23 -0.518 12.674 4.844 1.00 0.44 H new ATOM 0 HB2 LEU A 23 -0.188 10.231 3.522 1.00 0.54 H new ATOM 0 HB3 LEU A 23 1.405 10.957 3.458 1.00 0.54 H new ATOM 0 HG LEU A 23 1.174 11.349 5.982 1.00 1.06 H new ATOM 0 HD11 LEU A 23 -0.371 9.836 7.161 1.00 1.37 H new ATOM 0 HD12 LEU A 23 -1.240 11.019 6.154 1.00 1.37 H new ATOM 0 HD13 LEU A 23 -1.064 9.336 5.601 1.00 1.37 H new ATOM 0 HD21 LEU A 23 1.868 9.045 6.506 1.00 1.25 H new ATOM 0 HD22 LEU A 23 1.275 8.511 4.915 1.00 1.25 H new ATOM 0 HD23 LEU A 23 2.640 9.649 5.020 1.00 1.25 H new ATOM 344 N ILE A 24 0.913 13.513 2.035 1.00 0.37 N ATOM 345 CA ILE A 24 1.850 14.444 1.426 1.00 0.39 C ATOM 346 C ILE A 24 1.310 15.869 1.481 1.00 0.46 C ATOM 347 O ILE A 24 1.904 16.747 2.107 1.00 0.58 O ATOM 348 CB ILE A 24 2.154 14.068 -0.043 1.00 0.40 C ATOM 349 CG1 ILE A 24 2.706 12.639 -0.129 1.00 0.39 C ATOM 350 CG2 ILE A 24 3.130 15.058 -0.666 1.00 0.47 C ATOM 351 CD1 ILE A 24 3.953 12.417 0.698 1.00 0.37 C ATOM 0 H ILE A 24 0.324 13.011 1.370 1.00 0.37 H new ATOM 0 HA ILE A 24 2.776 14.385 1.998 1.00 0.39 H new ATOM 0 HB ILE A 24 1.221 14.113 -0.606 1.00 0.40 H new ATOM 0 HG12 ILE A 24 1.935 11.941 0.198 1.00 0.39 H new ATOM 0 HG13 ILE A 24 2.926 12.406 -1.171 1.00 0.39 H new ATOM 0 HG21 ILE A 24 3.328 14.772 -1.699 1.00 0.47 H new ATOM 0 HG22 ILE A 24 2.698 16.058 -0.643 1.00 0.47 H new ATOM 0 HG23 ILE A 24 4.063 15.052 -0.103 1.00 0.47 H new ATOM 0 HD11 ILE A 24 4.284 11.384 0.587 1.00 0.37 H new ATOM 0 HD12 ILE A 24 4.740 13.089 0.357 1.00 0.37 H new ATOM 0 HD13 ILE A 24 3.734 12.617 1.747 1.00 0.37 H new ATOM 363 N GLN A 25 0.173 16.089 0.837 1.00 0.46 N ATOM 364 CA GLN A 25 -0.446 17.407 0.808 1.00 0.55 C ATOM 365 C GLN A 25 -1.326 17.609 2.041 1.00 0.50 C ATOM 366 O GLN A 25 -1.852 18.696 2.280 1.00 0.58 O ATOM 367 CB GLN A 25 -1.261 17.586 -0.477 1.00 0.65 C ATOM 368 CG GLN A 25 -0.430 17.476 -1.753 1.00 0.82 C ATOM 369 CD GLN A 25 0.559 18.621 -1.922 1.00 1.04 C ATOM 370 OE1 GLN A 25 1.034 19.209 -0.952 1.00 1.68 O ATOM 371 NE2 GLN A 25 0.880 18.938 -3.163 1.00 1.38 N ATOM 0 H GLN A 25 -0.341 15.371 0.327 1.00 0.46 H new ATOM 0 HA GLN A 25 0.340 18.162 0.822 1.00 0.55 H new ATOM 0 HB2 GLN A 25 -2.051 16.835 -0.503 1.00 0.65 H new ATOM 0 HB3 GLN A 25 -1.748 18.561 -0.455 1.00 0.65 H new ATOM 0 HG2 GLN A 25 0.114 16.532 -1.745 1.00 0.82 H new ATOM 0 HG3 GLN A 25 -1.098 17.451 -2.614 1.00 0.82 H new ATOM 0 HE21 GLN A 25 0.466 18.428 -3.943 1.00 1.38 H new ATOM 0 HE22 GLN A 25 1.542 19.693 -3.341 1.00 1.38 H new ATOM 380 N ASN A 26 -1.472 16.533 2.808 1.00 0.44 N ATOM 381 CA ASN A 26 -2.250 16.526 4.048 1.00 0.49 C ATOM 382 C ASN A 26 -3.692 17.000 3.851 1.00 0.46 C ATOM 383 O ASN A 26 -4.238 17.721 4.692 1.00 0.58 O ATOM 384 CB ASN A 26 -1.554 17.357 5.124 1.00 0.61 C ATOM 385 CG ASN A 26 -0.846 16.492 6.158 1.00 1.02 C ATOM 386 OD1 ASN A 26 -1.389 16.216 7.230 1.00 1.40 O ATOM 387 ND2 ASN A 26 0.360 16.040 5.846 1.00 1.60 N ATOM 0 H ASN A 26 -1.050 15.631 2.586 1.00 0.44 H new ATOM 0 HA ASN A 26 -2.304 15.488 4.376 1.00 0.49 H new ATOM 0 HB2 ASN A 26 -0.830 18.022 4.654 1.00 0.61 H new ATOM 0 HB3 ASN A 26 -2.289 17.988 5.624 1.00 0.61 H new ATOM 0 HD21 ASN A 26 0.867 15.445 6.501 1.00 1.60 H new ATOM 0 HD22 ASN A 26 0.781 16.287 4.950 1.00 1.60 H new ATOM 394 N HIS A 27 -4.306 16.580 2.751 1.00 0.41 N ATOM 395 CA HIS A 27 -5.692 16.928 2.460 1.00 0.44 C ATOM 396 C HIS A 27 -6.264 15.960 1.436 1.00 0.43 C ATOM 397 O HIS A 27 -5.517 15.347 0.668 1.00 0.46 O ATOM 398 CB HIS A 27 -5.830 18.382 1.979 1.00 0.51 C ATOM 399 CG HIS A 27 -5.427 18.630 0.556 1.00 0.55 C ATOM 400 ND1 HIS A 27 -6.271 18.418 -0.518 1.00 0.61 N ATOM 401 CD2 HIS A 27 -4.273 19.097 0.031 1.00 0.67 C ATOM 402 CE1 HIS A 27 -5.650 18.747 -1.635 1.00 0.69 C ATOM 403 NE2 HIS A 27 -4.439 19.159 -1.329 1.00 0.74 N ATOM 0 H HIS A 27 -3.863 15.995 2.042 1.00 0.41 H new ATOM 0 HA HIS A 27 -6.262 16.845 3.385 1.00 0.44 H new ATOM 0 HB2 HIS A 27 -6.868 18.691 2.104 1.00 0.51 H new ATOM 0 HB3 HIS A 27 -5.227 19.020 2.626 1.00 0.51 H new ATOM 0 HD1 HIS A 27 -7.225 18.063 -0.457 1.00 0.61 H new ATOM 0 HD2 HIS A 27 -3.384 19.371 0.580 1.00 0.67 H new ATOM 0 HE1 HIS A 27 -6.065 18.688 -2.630 1.00 0.69 H new ATOM 412 N PHE A 28 -7.580 15.824 1.434 1.00 0.44 N ATOM 413 CA PHE A 28 -8.253 14.914 0.521 1.00 0.45 C ATOM 414 C PHE A 28 -8.422 15.521 -0.868 1.00 0.45 C ATOM 415 O PHE A 28 -8.650 16.725 -1.013 1.00 0.52 O ATOM 416 CB PHE A 28 -9.625 14.518 1.080 1.00 0.52 C ATOM 417 CG PHE A 28 -10.349 13.500 0.240 1.00 0.47 C ATOM 418 CD1 PHE A 28 -9.918 12.185 0.199 1.00 0.48 C ATOM 419 CD2 PHE A 28 -11.456 13.858 -0.512 1.00 0.60 C ATOM 420 CE1 PHE A 28 -10.578 11.248 -0.571 1.00 0.49 C ATOM 421 CE2 PHE A 28 -12.119 12.927 -1.284 1.00 0.60 C ATOM 422 CZ PHE A 28 -11.680 11.619 -1.314 1.00 0.48 C ATOM 0 H PHE A 28 -8.206 16.334 2.057 1.00 0.44 H new ATOM 0 HA PHE A 28 -7.625 14.028 0.426 1.00 0.45 H new ATOM 0 HB2 PHE A 28 -9.496 14.120 2.087 1.00 0.52 H new ATOM 0 HB3 PHE A 28 -10.244 15.411 1.167 1.00 0.52 H new ATOM 0 HD1 PHE A 28 -9.055 11.888 0.776 1.00 0.48 H new ATOM 0 HD2 PHE A 28 -11.805 14.880 -0.494 1.00 0.60 H new ATOM 0 HE1 PHE A 28 -10.232 10.225 -0.592 1.00 0.49 H new ATOM 0 HE2 PHE A 28 -12.981 13.221 -1.864 1.00 0.60 H new ATOM 0 HZ PHE A 28 -12.197 10.888 -1.917 1.00 0.48 H new ATOM 432 N VAL A 29 -8.268 14.678 -1.881 1.00 0.46 N ATOM 433 CA VAL A 29 -8.447 15.068 -3.267 1.00 0.49 C ATOM 434 C VAL A 29 -9.603 14.254 -3.839 1.00 0.52 C ATOM 435 O VAL A 29 -9.565 13.023 -3.829 1.00 0.61 O ATOM 436 CB VAL A 29 -7.165 14.839 -4.102 1.00 0.53 C ATOM 437 CG1 VAL A 29 -7.436 15.001 -5.588 1.00 0.55 C ATOM 438 CG2 VAL A 29 -6.073 15.801 -3.668 1.00 0.64 C ATOM 0 H VAL A 29 -8.013 13.698 -1.759 1.00 0.46 H new ATOM 0 HA VAL A 29 -8.665 16.135 -3.312 1.00 0.49 H new ATOM 0 HB VAL A 29 -6.833 13.816 -3.926 1.00 0.53 H new ATOM 0 HG11 VAL A 29 -6.515 14.834 -6.146 1.00 0.55 H new ATOM 0 HG12 VAL A 29 -8.187 14.276 -5.902 1.00 0.55 H new ATOM 0 HG13 VAL A 29 -7.801 16.009 -5.784 1.00 0.55 H new ATOM 0 HG21 VAL A 29 -5.177 15.628 -4.264 1.00 0.64 H new ATOM 0 HG22 VAL A 29 -6.413 16.826 -3.813 1.00 0.64 H new ATOM 0 HG23 VAL A 29 -5.844 15.640 -2.615 1.00 0.64 H new ATOM 448 N ASP A 30 -10.629 14.937 -4.320 1.00 0.55 N ATOM 449 CA ASP A 30 -11.810 14.257 -4.843 1.00 0.63 C ATOM 450 C ASP A 30 -11.591 13.681 -6.237 1.00 0.60 C ATOM 451 O ASP A 30 -12.018 12.564 -6.523 1.00 0.72 O ATOM 452 CB ASP A 30 -13.014 15.202 -4.850 1.00 0.75 C ATOM 453 CG ASP A 30 -14.307 14.489 -5.195 1.00 0.93 C ATOM 454 OD1 ASP A 30 -14.774 14.617 -6.344 1.00 1.12 O ATOM 455 OD2 ASP A 30 -14.871 13.800 -4.313 1.00 0.99 O ATOM 0 H ASP A 30 -10.672 15.955 -4.361 1.00 0.55 H new ATOM 0 HA ASP A 30 -12.008 13.418 -4.176 1.00 0.63 H new ATOM 0 HB2 ASP A 30 -13.111 15.670 -3.870 1.00 0.75 H new ATOM 0 HB3 ASP A 30 -12.840 16.002 -5.570 1.00 0.75 H new ATOM 460 N GLU A 31 -10.926 14.422 -7.103 1.00 0.54 N ATOM 461 CA GLU A 31 -10.691 13.949 -8.456 1.00 0.59 C ATOM 462 C GLU A 31 -9.208 13.924 -8.782 1.00 0.53 C ATOM 463 O GLU A 31 -8.521 14.942 -8.695 1.00 0.53 O ATOM 464 CB GLU A 31 -11.428 14.831 -9.460 1.00 0.69 C ATOM 465 CG GLU A 31 -11.492 14.243 -10.861 1.00 0.83 C ATOM 466 CD GLU A 31 -12.343 12.984 -10.942 1.00 0.99 C ATOM 467 OE1 GLU A 31 -11.784 11.866 -10.842 1.00 1.18 O ATOM 468 OE2 GLU A 31 -13.575 13.101 -11.123 1.00 1.16 O ATOM 0 H GLU A 31 -10.542 15.345 -6.898 1.00 0.54 H new ATOM 0 HA GLU A 31 -11.072 12.930 -8.524 1.00 0.59 H new ATOM 0 HB2 GLU A 31 -12.443 15.004 -9.102 1.00 0.69 H new ATOM 0 HB3 GLU A 31 -10.936 15.803 -9.506 1.00 0.69 H new ATOM 0 HG2 GLU A 31 -11.894 14.991 -11.544 1.00 0.83 H new ATOM 0 HG3 GLU A 31 -10.481 14.014 -11.199 1.00 0.83 H new ATOM 475 N TYR A 32 -8.726 12.751 -9.150 1.00 0.50 N ATOM 476 CA TYR A 32 -7.334 12.561 -9.512 1.00 0.46 C ATOM 477 C TYR A 32 -7.250 11.452 -10.545 1.00 0.44 C ATOM 478 O TYR A 32 -7.956 10.446 -10.431 1.00 0.48 O ATOM 479 CB TYR A 32 -6.490 12.210 -8.285 1.00 0.46 C ATOM 480 CG TYR A 32 -5.023 12.555 -8.442 1.00 0.46 C ATOM 481 CD1 TYR A 32 -4.569 13.848 -8.209 1.00 0.51 C ATOM 482 CD2 TYR A 32 -4.092 11.597 -8.826 1.00 0.46 C ATOM 483 CE1 TYR A 32 -3.233 14.174 -8.356 1.00 0.55 C ATOM 484 CE2 TYR A 32 -2.755 11.920 -8.972 1.00 0.50 C ATOM 485 CZ TYR A 32 -2.333 13.209 -8.738 1.00 0.54 C ATOM 486 OH TYR A 32 -1.005 13.536 -8.885 1.00 0.60 O ATOM 0 H TYR A 32 -9.289 11.903 -9.206 1.00 0.50 H new ATOM 0 HA TYR A 32 -6.940 13.489 -9.927 1.00 0.46 H new ATOM 0 HB2 TYR A 32 -6.888 12.736 -7.417 1.00 0.46 H new ATOM 0 HB3 TYR A 32 -6.585 11.143 -8.082 1.00 0.46 H new ATOM 0 HD1 TYR A 32 -5.272 14.611 -7.908 1.00 0.51 H new ATOM 0 HD2 TYR A 32 -4.418 10.584 -9.013 1.00 0.46 H new ATOM 0 HE1 TYR A 32 -2.898 15.184 -8.171 1.00 0.55 H new ATOM 0 HE2 TYR A 32 -2.044 11.163 -9.269 1.00 0.50 H new ATOM 0 HH TYR A 32 -0.517 13.299 -8.069 1.00 0.60 H new ATOM 496 N ASP A 33 -6.402 11.641 -11.545 1.00 0.43 N ATOM 497 CA ASP A 33 -6.243 10.655 -12.610 1.00 0.42 C ATOM 498 C ASP A 33 -5.716 9.333 -12.056 1.00 0.39 C ATOM 499 O ASP A 33 -4.662 9.288 -11.415 1.00 0.42 O ATOM 500 CB ASP A 33 -5.298 11.182 -13.690 1.00 0.50 C ATOM 501 CG ASP A 33 -5.508 10.516 -15.039 1.00 0.55 C ATOM 502 OD1 ASP A 33 -5.256 9.299 -15.157 1.00 0.80 O ATOM 503 OD2 ASP A 33 -5.923 11.213 -15.992 1.00 0.60 O ATOM 0 H ASP A 33 -5.812 12.467 -11.644 1.00 0.43 H new ATOM 0 HA ASP A 33 -7.223 10.478 -13.053 1.00 0.42 H new ATOM 0 HB2 ASP A 33 -5.440 12.258 -13.796 1.00 0.50 H new ATOM 0 HB3 ASP A 33 -4.267 11.026 -13.371 1.00 0.50 H new ATOM 508 N PRO A 34 -6.449 8.235 -12.298 1.00 0.38 N ATOM 509 CA PRO A 34 -6.068 6.906 -11.817 1.00 0.41 C ATOM 510 C PRO A 34 -4.905 6.298 -12.596 1.00 0.42 C ATOM 511 O PRO A 34 -4.299 5.323 -12.151 1.00 0.52 O ATOM 512 CB PRO A 34 -7.345 6.088 -12.023 1.00 0.50 C ATOM 513 CG PRO A 34 -8.048 6.747 -13.156 1.00 0.49 C ATOM 514 CD PRO A 34 -7.717 8.212 -13.058 1.00 0.42 C ATOM 0 HA PRO A 34 -5.716 6.932 -10.786 1.00 0.41 H new ATOM 0 HB2 PRO A 34 -7.114 5.048 -12.254 1.00 0.50 H new ATOM 0 HB3 PRO A 34 -7.961 6.086 -11.124 1.00 0.50 H new ATOM 0 HG2 PRO A 34 -7.719 6.336 -14.111 1.00 0.49 H new ATOM 0 HG3 PRO A 34 -9.124 6.586 -13.094 1.00 0.49 H new ATOM 0 HD2 PRO A 34 -7.601 8.663 -14.043 1.00 0.42 H new ATOM 0 HD3 PRO A 34 -8.502 8.766 -12.544 1.00 0.42 H new ATOM 522 N THR A 35 -4.576 6.887 -13.736 1.00 0.37 N ATOM 523 CA THR A 35 -3.492 6.387 -14.561 1.00 0.42 C ATOM 524 C THR A 35 -2.169 7.072 -14.217 1.00 0.40 C ATOM 525 O THR A 35 -1.147 6.831 -14.861 1.00 0.41 O ATOM 526 CB THR A 35 -3.807 6.578 -16.056 1.00 0.52 C ATOM 527 OG1 THR A 35 -5.182 6.960 -16.216 1.00 0.74 O ATOM 528 CG2 THR A 35 -3.541 5.298 -16.831 1.00 0.89 C ATOM 0 H THR A 35 -5.046 7.712 -14.109 1.00 0.37 H new ATOM 0 HA THR A 35 -3.392 5.321 -14.355 1.00 0.42 H new ATOM 0 HB THR A 35 -3.160 7.363 -16.448 1.00 0.52 H new ATOM 0 HG1 THR A 35 -5.260 7.935 -16.157 1.00 0.74 H new ATOM 0 HG21 THR A 35 -3.770 5.456 -17.885 1.00 0.89 H new ATOM 0 HG22 THR A 35 -2.492 5.020 -16.726 1.00 0.89 H new ATOM 0 HG23 THR A 35 -4.169 4.498 -16.439 1.00 0.89 H new ATOM 536 N ILE A 36 -2.190 7.941 -13.210 1.00 0.45 N ATOM 537 CA ILE A 36 -0.979 8.636 -12.789 1.00 0.48 C ATOM 538 C ILE A 36 -0.169 7.751 -11.849 1.00 0.47 C ATOM 539 O ILE A 36 -0.711 7.173 -10.901 1.00 0.54 O ATOM 540 CB ILE A 36 -1.293 9.994 -12.113 1.00 0.54 C ATOM 541 CG1 ILE A 36 -1.726 11.013 -13.169 1.00 0.62 C ATOM 542 CG2 ILE A 36 -0.083 10.514 -11.339 1.00 0.65 C ATOM 543 CD1 ILE A 36 -2.243 12.308 -12.581 1.00 0.73 C ATOM 0 H ILE A 36 -3.025 8.179 -12.675 1.00 0.45 H new ATOM 0 HA ILE A 36 -0.392 8.847 -13.683 1.00 0.48 H new ATOM 0 HB ILE A 36 -2.107 9.846 -11.404 1.00 0.54 H new ATOM 0 HG12 ILE A 36 -0.880 11.231 -13.821 1.00 0.62 H new ATOM 0 HG13 ILE A 36 -2.503 10.571 -13.793 1.00 0.62 H new ATOM 0 HG21 ILE A 36 -0.331 11.468 -10.874 1.00 0.65 H new ATOM 0 HG22 ILE A 36 0.191 9.795 -10.567 1.00 0.65 H new ATOM 0 HG23 ILE A 36 0.755 10.650 -12.023 1.00 0.65 H new ATOM 0 HD11 ILE A 36 -2.532 12.983 -13.386 1.00 0.73 H new ATOM 0 HD12 ILE A 36 -3.109 12.102 -11.952 1.00 0.73 H new ATOM 0 HD13 ILE A 36 -1.461 12.773 -11.981 1.00 0.73 H new ATOM 555 N GLU A 37 1.121 7.633 -12.137 1.00 0.49 N ATOM 556 CA GLU A 37 2.026 6.817 -11.346 1.00 0.48 C ATOM 557 C GLU A 37 3.245 7.643 -10.958 1.00 0.50 C ATOM 558 O GLU A 37 4.288 7.585 -11.612 1.00 0.79 O ATOM 559 CB GLU A 37 2.447 5.583 -12.147 1.00 0.51 C ATOM 560 CG GLU A 37 2.987 4.443 -11.304 1.00 0.57 C ATOM 561 CD GLU A 37 2.935 3.116 -12.040 1.00 0.59 C ATOM 562 OE1 GLU A 37 2.116 2.250 -11.657 1.00 0.64 O ATOM 563 OE2 GLU A 37 3.701 2.944 -13.017 1.00 0.81 O ATOM 0 H GLU A 37 1.567 8.101 -12.926 1.00 0.49 H new ATOM 0 HA GLU A 37 1.521 6.485 -10.439 1.00 0.48 H new ATOM 0 HB2 GLU A 37 1.589 5.224 -12.715 1.00 0.51 H new ATOM 0 HB3 GLU A 37 3.208 5.876 -12.870 1.00 0.51 H new ATOM 0 HG2 GLU A 37 4.017 4.659 -11.019 1.00 0.57 H new ATOM 0 HG3 GLU A 37 2.410 4.369 -10.382 1.00 0.57 H new ATOM 570 N ASP A 38 3.107 8.421 -9.897 1.00 0.30 N ATOM 571 CA ASP A 38 4.197 9.285 -9.442 1.00 0.33 C ATOM 572 C ASP A 38 4.761 8.808 -8.105 1.00 0.31 C ATOM 573 O ASP A 38 4.207 7.913 -7.466 1.00 0.34 O ATOM 574 CB ASP A 38 3.723 10.740 -9.314 1.00 0.42 C ATOM 575 CG ASP A 38 4.811 11.740 -9.679 1.00 0.54 C ATOM 576 OD1 ASP A 38 5.962 11.584 -9.212 1.00 1.29 O ATOM 577 OD2 ASP A 38 4.520 12.692 -10.434 1.00 1.12 O ATOM 0 H ASP A 38 2.258 8.476 -9.334 1.00 0.30 H new ATOM 0 HA ASP A 38 4.988 9.233 -10.190 1.00 0.33 H new ATOM 0 HB2 ASP A 38 2.859 10.896 -9.960 1.00 0.42 H new ATOM 0 HB3 ASP A 38 3.394 10.923 -8.291 1.00 0.42 H new ATOM 582 N SER A 39 5.862 9.418 -7.688 1.00 0.33 N ATOM 583 CA SER A 39 6.509 9.075 -6.430 1.00 0.35 C ATOM 584 C SER A 39 6.528 10.291 -5.508 1.00 0.27 C ATOM 585 O SER A 39 6.718 11.417 -5.964 1.00 0.35 O ATOM 586 CB SER A 39 7.938 8.594 -6.680 1.00 0.51 C ATOM 587 OG SER A 39 8.070 8.039 -7.978 1.00 0.78 O ATOM 0 H SER A 39 6.329 10.160 -8.209 1.00 0.33 H new ATOM 0 HA SER A 39 5.946 8.271 -5.956 1.00 0.35 H new ATOM 0 HB2 SER A 39 8.631 9.428 -6.565 1.00 0.51 H new ATOM 0 HB3 SER A 39 8.210 7.848 -5.933 1.00 0.51 H new ATOM 0 HG SER A 39 8.993 7.740 -8.114 1.00 0.78 H new ATOM 593 N TYR A 40 6.322 10.070 -4.220 1.00 0.32 N ATOM 594 CA TYR A 40 6.321 11.158 -3.256 1.00 0.33 C ATOM 595 C TYR A 40 7.298 10.859 -2.129 1.00 0.31 C ATOM 596 O TYR A 40 7.314 9.748 -1.595 1.00 0.35 O ATOM 597 CB TYR A 40 4.922 11.376 -2.677 1.00 0.44 C ATOM 598 CG TYR A 40 3.883 11.797 -3.693 1.00 0.53 C ATOM 599 CD1 TYR A 40 2.705 11.077 -3.833 1.00 0.68 C ATOM 600 CD2 TYR A 40 4.074 12.909 -4.502 1.00 0.67 C ATOM 601 CE1 TYR A 40 1.743 11.451 -4.750 1.00 0.79 C ATOM 602 CE2 TYR A 40 3.116 13.292 -5.425 1.00 0.80 C ATOM 603 CZ TYR A 40 1.950 12.558 -5.543 1.00 0.80 C ATOM 604 OH TYR A 40 0.985 12.934 -6.454 1.00 0.94 O ATOM 0 H TYR A 40 6.153 9.148 -3.818 1.00 0.32 H new ATOM 0 HA TYR A 40 6.629 12.067 -3.773 1.00 0.33 H new ATOM 0 HB2 TYR A 40 4.592 10.454 -2.199 1.00 0.44 H new ATOM 0 HB3 TYR A 40 4.979 12.136 -1.898 1.00 0.44 H new ATOM 0 HD1 TYR A 40 2.538 10.208 -3.213 1.00 0.68 H new ATOM 0 HD2 TYR A 40 4.984 13.484 -4.410 1.00 0.67 H new ATOM 0 HE1 TYR A 40 0.832 10.878 -4.845 1.00 0.79 H new ATOM 0 HE2 TYR A 40 3.278 14.158 -6.049 1.00 0.80 H new ATOM 0 HH TYR A 40 1.283 13.735 -6.934 1.00 0.94 H new ATOM 614 N ARG A 41 8.113 11.843 -1.778 1.00 0.33 N ATOM 615 CA ARG A 41 9.093 11.679 -0.711 1.00 0.34 C ATOM 616 C ARG A 41 8.675 12.458 0.530 1.00 0.40 C ATOM 617 O ARG A 41 8.524 13.680 0.490 1.00 0.53 O ATOM 618 CB ARG A 41 10.476 12.139 -1.173 1.00 0.40 C ATOM 619 CG ARG A 41 11.398 10.991 -1.559 1.00 0.38 C ATOM 620 CD ARG A 41 10.927 10.294 -2.825 1.00 0.36 C ATOM 621 NE ARG A 41 11.040 11.159 -3.999 1.00 0.40 N ATOM 622 CZ ARG A 41 11.052 10.717 -5.258 1.00 0.48 C ATOM 623 NH1 ARG A 41 10.957 9.419 -5.513 1.00 0.56 N ATOM 624 NH2 ARG A 41 11.138 11.586 -6.261 1.00 0.56 N ATOM 0 H ARG A 41 8.116 12.764 -2.216 1.00 0.33 H new ATOM 0 HA ARG A 41 9.141 10.620 -0.459 1.00 0.34 H new ATOM 0 HB2 ARG A 41 10.362 12.806 -2.027 1.00 0.40 H new ATOM 0 HB3 ARG A 41 10.943 12.718 -0.376 1.00 0.40 H new ATOM 0 HG2 ARG A 41 12.409 11.370 -1.707 1.00 0.38 H new ATOM 0 HG3 ARG A 41 11.444 10.271 -0.742 1.00 0.38 H new ATOM 0 HD2 ARG A 41 11.516 9.390 -2.982 1.00 0.36 H new ATOM 0 HD3 ARG A 41 9.890 9.982 -2.703 1.00 0.36 H new ATOM 0 HE ARG A 41 11.114 12.165 -3.845 1.00 0.40 H new ATOM 0 HH11 ARG A 41 10.874 8.753 -4.745 1.00 0.56 H new ATOM 0 HH12 ARG A 41 10.967 9.087 -6.477 1.00 0.56 H new ATOM 0 HH21 ARG A 41 11.194 12.586 -6.066 1.00 0.56 H new ATOM 0 HH22 ARG A 41 11.148 11.253 -7.225 1.00 0.56 H new ATOM 638 N LYS A 42 8.486 11.742 1.628 1.00 0.36 N ATOM 639 CA LYS A 42 8.085 12.357 2.886 1.00 0.44 C ATOM 640 C LYS A 42 8.994 11.880 4.012 1.00 0.36 C ATOM 641 O LYS A 42 9.261 10.684 4.139 1.00 0.32 O ATOM 642 CB LYS A 42 6.626 12.011 3.199 1.00 0.56 C ATOM 643 CG LYS A 42 6.094 12.654 4.471 1.00 0.72 C ATOM 644 CD LYS A 42 4.632 12.301 4.700 1.00 1.07 C ATOM 645 CE LYS A 42 4.137 12.794 6.050 1.00 1.33 C ATOM 646 NZ LYS A 42 3.894 14.259 6.055 1.00 1.46 N ATOM 0 H LYS A 42 8.604 10.730 1.674 1.00 0.36 H new ATOM 0 HA LYS A 42 8.176 13.440 2.796 1.00 0.44 H new ATOM 0 HB2 LYS A 42 6.003 12.320 2.360 1.00 0.56 H new ATOM 0 HB3 LYS A 42 6.531 10.929 3.285 1.00 0.56 H new ATOM 0 HG2 LYS A 42 6.688 12.324 5.323 1.00 0.72 H new ATOM 0 HG3 LYS A 42 6.203 13.737 4.407 1.00 0.72 H new ATOM 0 HD2 LYS A 42 4.024 12.739 3.908 1.00 1.07 H new ATOM 0 HD3 LYS A 42 4.505 11.220 4.639 1.00 1.07 H new ATOM 0 HE2 LYS A 42 3.215 12.273 6.310 1.00 1.33 H new ATOM 0 HE3 LYS A 42 4.870 12.546 6.817 1.00 1.33 H new ATOM 0 HZ1 LYS A 42 3.673 14.571 7.022 1.00 1.46 H new ATOM 0 HZ2 LYS A 42 4.745 14.753 5.718 1.00 1.46 H new ATOM 0 HZ3 LYS A 42 3.094 14.480 5.428 1.00 1.46 H new ATOM 660 N GLN A 43 9.482 12.816 4.808 1.00 0.46 N ATOM 661 CA GLN A 43 10.364 12.489 5.915 1.00 0.42 C ATOM 662 C GLN A 43 9.598 12.517 7.232 1.00 0.48 C ATOM 663 O GLN A 43 8.969 13.516 7.583 1.00 0.63 O ATOM 664 CB GLN A 43 11.573 13.440 5.964 1.00 0.53 C ATOM 665 CG GLN A 43 11.228 14.907 6.216 1.00 0.73 C ATOM 666 CD GLN A 43 10.714 15.614 4.974 1.00 1.26 C ATOM 667 OE1 GLN A 43 11.496 16.032 4.120 1.00 1.75 O ATOM 668 NE2 GLN A 43 9.401 15.776 4.868 1.00 1.89 N ATOM 0 H GLN A 43 9.282 13.811 4.708 1.00 0.46 H new ATOM 0 HA GLN A 43 10.744 11.480 5.758 1.00 0.42 H new ATOM 0 HB2 GLN A 43 12.251 13.102 6.747 1.00 0.53 H new ATOM 0 HB3 GLN A 43 12.114 13.366 5.020 1.00 0.53 H new ATOM 0 HG2 GLN A 43 10.474 14.968 7.001 1.00 0.73 H new ATOM 0 HG3 GLN A 43 12.114 15.426 6.583 1.00 0.73 H new ATOM 0 HE21 GLN A 43 8.782 15.416 5.595 1.00 1.89 H new ATOM 0 HE22 GLN A 43 9.010 16.260 4.060 1.00 1.89 H new ATOM 677 N VAL A 44 9.638 11.407 7.950 1.00 0.41 N ATOM 678 CA VAL A 44 8.954 11.294 9.230 1.00 0.50 C ATOM 679 C VAL A 44 9.916 10.744 10.278 1.00 0.41 C ATOM 680 O VAL A 44 10.754 9.896 9.970 1.00 0.38 O ATOM 681 CB VAL A 44 7.710 10.374 9.139 1.00 0.65 C ATOM 682 CG1 VAL A 44 6.926 10.391 10.446 1.00 0.92 C ATOM 683 CG2 VAL A 44 6.815 10.783 7.973 1.00 1.09 C ATOM 0 H VAL A 44 10.140 10.566 7.667 1.00 0.41 H new ATOM 0 HA VAL A 44 8.615 12.290 9.515 1.00 0.50 H new ATOM 0 HB VAL A 44 8.058 9.356 8.962 1.00 0.65 H new ATOM 0 HG11 VAL A 44 6.058 9.738 10.358 1.00 0.92 H new ATOM 0 HG12 VAL A 44 7.563 10.040 11.257 1.00 0.92 H new ATOM 0 HG13 VAL A 44 6.595 11.408 10.659 1.00 0.92 H new ATOM 0 HG21 VAL A 44 5.949 10.123 7.930 1.00 1.09 H new ATOM 0 HG22 VAL A 44 6.481 11.811 8.114 1.00 1.09 H new ATOM 0 HG23 VAL A 44 7.375 10.708 7.041 1.00 1.09 H new ATOM 693 N VAL A 45 9.806 11.228 11.507 1.00 0.46 N ATOM 694 CA VAL A 45 10.678 10.774 12.582 1.00 0.41 C ATOM 695 C VAL A 45 10.043 9.596 13.324 1.00 0.46 C ATOM 696 O VAL A 45 9.673 9.704 14.497 1.00 0.65 O ATOM 697 CB VAL A 45 10.991 11.909 13.582 1.00 0.43 C ATOM 698 CG1 VAL A 45 12.311 11.654 14.291 1.00 0.47 C ATOM 699 CG2 VAL A 45 11.017 13.261 12.880 1.00 0.54 C ATOM 0 H VAL A 45 9.123 11.933 11.785 1.00 0.46 H new ATOM 0 HA VAL A 45 11.615 10.454 12.126 1.00 0.41 H new ATOM 0 HB VAL A 45 10.197 11.927 14.328 1.00 0.43 H new ATOM 0 HG11 VAL A 45 12.511 12.466 14.990 1.00 0.47 H new ATOM 0 HG12 VAL A 45 12.255 10.711 14.836 1.00 0.47 H new ATOM 0 HG13 VAL A 45 13.114 11.602 13.556 1.00 0.47 H new ATOM 0 HG21 VAL A 45 11.239 14.043 13.606 1.00 0.54 H new ATOM 0 HG22 VAL A 45 11.785 13.255 12.106 1.00 0.54 H new ATOM 0 HG23 VAL A 45 10.045 13.454 12.425 1.00 0.54 H new ATOM 709 N ILE A 46 9.920 8.475 12.621 1.00 0.45 N ATOM 710 CA ILE A 46 9.323 7.269 13.185 1.00 0.52 C ATOM 711 C ILE A 46 10.279 6.600 14.164 1.00 0.47 C ATOM 712 O ILE A 46 11.424 6.301 13.817 1.00 0.47 O ATOM 713 CB ILE A 46 8.937 6.263 12.080 1.00 0.65 C ATOM 714 CG1 ILE A 46 8.073 6.950 11.024 1.00 0.79 C ATOM 715 CG2 ILE A 46 8.197 5.070 12.678 1.00 1.06 C ATOM 716 CD1 ILE A 46 8.293 6.427 9.621 1.00 0.81 C ATOM 0 H ILE A 46 10.228 8.376 11.654 1.00 0.45 H new ATOM 0 HA ILE A 46 8.419 7.573 13.713 1.00 0.52 H new ATOM 0 HB ILE A 46 9.848 5.899 11.606 1.00 0.65 H new ATOM 0 HG12 ILE A 46 7.023 6.824 11.288 1.00 0.79 H new ATOM 0 HG13 ILE A 46 8.279 8.020 11.039 1.00 0.79 H new ATOM 0 HG21 ILE A 46 7.933 4.371 11.885 1.00 1.06 H new ATOM 0 HG22 ILE A 46 8.839 4.570 13.403 1.00 1.06 H new ATOM 0 HG23 ILE A 46 7.290 5.416 13.174 1.00 1.06 H new ATOM 0 HD11 ILE A 46 7.645 6.963 8.927 1.00 0.81 H new ATOM 0 HD12 ILE A 46 9.334 6.578 9.335 1.00 0.81 H new ATOM 0 HD13 ILE A 46 8.059 5.363 9.588 1.00 0.81 H new ATOM 728 N ASP A 47 9.799 6.391 15.388 1.00 0.48 N ATOM 729 CA ASP A 47 10.580 5.767 16.460 1.00 0.50 C ATOM 730 C ASP A 47 11.719 6.671 16.900 1.00 0.45 C ATOM 731 O ASP A 47 12.667 6.228 17.552 1.00 0.53 O ATOM 732 CB ASP A 47 11.131 4.402 16.035 1.00 0.56 C ATOM 733 CG ASP A 47 10.204 3.267 16.403 1.00 0.65 C ATOM 734 OD1 ASP A 47 10.351 2.710 17.513 1.00 0.97 O ATOM 735 OD2 ASP A 47 9.328 2.925 15.585 1.00 0.79 O ATOM 0 H ASP A 47 8.853 6.650 15.668 1.00 0.48 H new ATOM 0 HA ASP A 47 9.905 5.615 17.302 1.00 0.50 H new ATOM 0 HB2 ASP A 47 11.295 4.399 14.957 1.00 0.56 H new ATOM 0 HB3 ASP A 47 12.101 4.242 16.505 1.00 0.56 H new ATOM 740 N GLY A 48 11.619 7.941 16.554 1.00 0.41 N ATOM 741 CA GLY A 48 12.649 8.884 16.923 1.00 0.43 C ATOM 742 C GLY A 48 13.786 8.918 15.922 1.00 0.43 C ATOM 743 O GLY A 48 14.803 9.565 16.150 1.00 0.60 O ATOM 0 H GLY A 48 10.843 8.337 16.024 1.00 0.41 H new ATOM 0 HA2 GLY A 48 12.213 9.879 17.008 1.00 0.43 H new ATOM 0 HA3 GLY A 48 13.041 8.623 17.906 1.00 0.43 H new ATOM 747 N GLU A 49 13.612 8.216 14.811 1.00 0.40 N ATOM 748 CA GLU A 49 14.628 8.174 13.765 1.00 0.43 C ATOM 749 C GLU A 49 14.091 8.790 12.476 1.00 0.34 C ATOM 750 O GLU A 49 12.990 8.462 12.032 1.00 0.36 O ATOM 751 CB GLU A 49 15.082 6.736 13.506 1.00 0.52 C ATOM 752 CG GLU A 49 15.393 5.952 14.769 1.00 0.72 C ATOM 753 CD GLU A 49 16.339 4.799 14.515 1.00 0.96 C ATOM 754 OE1 GLU A 49 17.498 4.869 14.978 1.00 1.30 O ATOM 755 OE2 GLU A 49 15.938 3.821 13.848 1.00 1.41 O ATOM 0 H GLU A 49 12.776 7.667 14.609 1.00 0.40 H new ATOM 0 HA GLU A 49 15.487 8.754 14.104 1.00 0.43 H new ATOM 0 HB2 GLU A 49 14.304 6.214 12.949 1.00 0.52 H new ATOM 0 HB3 GLU A 49 15.969 6.754 12.873 1.00 0.52 H new ATOM 0 HG2 GLU A 49 15.831 6.621 15.510 1.00 0.72 H new ATOM 0 HG3 GLU A 49 14.465 5.570 15.194 1.00 0.72 H new ATOM 762 N THR A 50 14.868 9.683 11.882 1.00 0.35 N ATOM 763 CA THR A 50 14.471 10.350 10.651 1.00 0.32 C ATOM 764 C THR A 50 14.434 9.365 9.484 1.00 0.30 C ATOM 765 O THR A 50 15.471 8.882 9.030 1.00 0.38 O ATOM 766 CB THR A 50 15.432 11.505 10.322 1.00 0.45 C ATOM 767 OG1 THR A 50 15.895 12.114 11.536 1.00 0.63 O ATOM 768 CG2 THR A 50 14.744 12.550 9.454 1.00 0.47 C ATOM 0 H THR A 50 15.783 9.964 12.235 1.00 0.35 H new ATOM 0 HA THR A 50 13.470 10.754 10.802 1.00 0.32 H new ATOM 0 HB THR A 50 16.281 11.100 9.771 1.00 0.45 H new ATOM 0 HG1 THR A 50 16.508 12.848 11.321 1.00 0.63 H new ATOM 0 HG21 THR A 50 15.443 13.357 9.234 1.00 0.47 H new ATOM 0 HG22 THR A 50 14.416 12.090 8.522 1.00 0.47 H new ATOM 0 HG23 THR A 50 13.880 12.952 9.984 1.00 0.47 H new ATOM 776 N CYS A 51 13.233 9.059 9.012 1.00 0.31 N ATOM 777 CA CYS A 51 13.062 8.123 7.911 1.00 0.40 C ATOM 778 C CYS A 51 12.537 8.834 6.664 1.00 0.34 C ATOM 779 O CYS A 51 11.566 9.590 6.731 1.00 0.35 O ATOM 780 CB CYS A 51 12.098 7.008 8.323 1.00 0.53 C ATOM 781 SG CYS A 51 12.481 6.271 9.930 1.00 0.71 S ATOM 0 H CYS A 51 12.362 9.446 9.375 1.00 0.31 H new ATOM 0 HA CYS A 51 14.034 7.692 7.673 1.00 0.40 H new ATOM 0 HB2 CYS A 51 11.084 7.408 8.349 1.00 0.53 H new ATOM 0 HB3 CYS A 51 12.113 6.227 7.562 1.00 0.53 H new ATOM 0 HG CYS A 51 12.652 7.213 10.810 1.00 0.71 H new ATOM 787 N LEU A 52 13.195 8.603 5.539 1.00 0.32 N ATOM 788 CA LEU A 52 12.788 9.190 4.274 1.00 0.30 C ATOM 789 C LEU A 52 11.967 8.163 3.507 1.00 0.28 C ATOM 790 O LEU A 52 12.508 7.181 3.004 1.00 0.35 O ATOM 791 CB LEU A 52 14.013 9.605 3.459 1.00 0.37 C ATOM 792 CG LEU A 52 13.740 10.559 2.295 1.00 0.40 C ATOM 793 CD1 LEU A 52 13.274 11.908 2.818 1.00 0.48 C ATOM 794 CD2 LEU A 52 14.988 10.722 1.435 1.00 0.47 C ATOM 0 H LEU A 52 14.021 8.007 5.478 1.00 0.32 H new ATOM 0 HA LEU A 52 12.189 10.082 4.458 1.00 0.30 H new ATOM 0 HB2 LEU A 52 14.731 10.076 4.130 1.00 0.37 H new ATOM 0 HB3 LEU A 52 14.487 8.706 3.065 1.00 0.37 H new ATOM 0 HG LEU A 52 12.950 10.135 1.676 1.00 0.40 H new ATOM 0 HD11 LEU A 52 13.083 12.577 1.979 1.00 0.48 H new ATOM 0 HD12 LEU A 52 12.358 11.778 3.394 1.00 0.48 H new ATOM 0 HD13 LEU A 52 14.046 12.337 3.456 1.00 0.48 H new ATOM 0 HD21 LEU A 52 14.776 11.404 0.612 1.00 0.47 H new ATOM 0 HD22 LEU A 52 15.798 11.127 2.042 1.00 0.47 H new ATOM 0 HD23 LEU A 52 15.284 9.752 1.036 1.00 0.47 H new ATOM 806 N LEU A 53 10.666 8.386 3.431 1.00 0.27 N ATOM 807 CA LEU A 53 9.770 7.452 2.768 1.00 0.29 C ATOM 808 C LEU A 53 9.578 7.778 1.291 1.00 0.25 C ATOM 809 O LEU A 53 9.121 8.870 0.942 1.00 0.30 O ATOM 810 CB LEU A 53 8.407 7.464 3.460 1.00 0.37 C ATOM 811 CG LEU A 53 8.451 7.526 4.990 1.00 0.39 C ATOM 812 CD1 LEU A 53 7.104 7.956 5.544 1.00 0.59 C ATOM 813 CD2 LEU A 53 8.855 6.182 5.569 1.00 0.87 C ATOM 0 H LEU A 53 10.205 9.208 3.821 1.00 0.27 H new ATOM 0 HA LEU A 53 10.228 6.465 2.837 1.00 0.29 H new ATOM 0 HB2 LEU A 53 7.840 8.320 3.094 1.00 0.37 H new ATOM 0 HB3 LEU A 53 7.860 6.569 3.165 1.00 0.37 H new ATOM 0 HG LEU A 53 9.198 8.265 5.280 1.00 0.39 H new ATOM 0 HD11 LEU A 53 7.154 7.995 6.632 1.00 0.59 H new ATOM 0 HD12 LEU A 53 6.850 8.943 5.157 1.00 0.59 H new ATOM 0 HD13 LEU A 53 6.340 7.240 5.241 1.00 0.59 H new ATOM 0 HD21 LEU A 53 8.880 6.247 6.657 1.00 0.87 H new ATOM 0 HD22 LEU A 53 8.132 5.424 5.268 1.00 0.87 H new ATOM 0 HD23 LEU A 53 9.843 5.909 5.199 1.00 0.87 H new ATOM 825 N ASP A 54 9.935 6.825 0.441 1.00 0.23 N ATOM 826 CA ASP A 54 9.766 6.953 -1.000 1.00 0.24 C ATOM 827 C ASP A 54 8.599 6.071 -1.413 1.00 0.24 C ATOM 828 O ASP A 54 8.749 4.857 -1.551 1.00 0.28 O ATOM 829 CB ASP A 54 11.039 6.527 -1.739 1.00 0.26 C ATOM 830 CG ASP A 54 10.878 6.521 -3.252 1.00 0.39 C ATOM 831 OD1 ASP A 54 10.332 7.498 -3.803 1.00 0.96 O ATOM 832 OD2 ASP A 54 11.326 5.550 -3.899 1.00 1.03 O ATOM 0 H ASP A 54 10.351 5.940 0.732 1.00 0.23 H new ATOM 0 HA ASP A 54 9.569 7.993 -1.259 1.00 0.24 H new ATOM 0 HB2 ASP A 54 11.852 7.201 -1.469 1.00 0.26 H new ATOM 0 HB3 ASP A 54 11.328 5.530 -1.407 1.00 0.26 H new ATOM 837 N ILE A 55 7.432 6.676 -1.568 1.00 0.24 N ATOM 838 CA ILE A 55 6.230 5.930 -1.915 1.00 0.27 C ATOM 839 C ILE A 55 5.823 6.150 -3.366 1.00 0.26 C ATOM 840 O ILE A 55 5.792 7.284 -3.851 1.00 0.34 O ATOM 841 CB ILE A 55 5.053 6.299 -0.983 1.00 0.34 C ATOM 842 CG1 ILE A 55 5.463 6.094 0.478 1.00 0.46 C ATOM 843 CG2 ILE A 55 3.825 5.461 -1.314 1.00 0.40 C ATOM 844 CD1 ILE A 55 4.376 6.427 1.474 1.00 0.68 C ATOM 0 H ILE A 55 7.290 7.680 -1.459 1.00 0.24 H new ATOM 0 HA ILE A 55 6.470 4.875 -1.783 1.00 0.27 H new ATOM 0 HB ILE A 55 4.800 7.348 -1.135 1.00 0.34 H new ATOM 0 HG12 ILE A 55 5.764 5.056 0.618 1.00 0.46 H new ATOM 0 HG13 ILE A 55 6.337 6.711 0.689 1.00 0.46 H new ATOM 0 HG21 ILE A 55 3.007 5.735 -0.648 1.00 0.40 H new ATOM 0 HG22 ILE A 55 3.528 5.643 -2.347 1.00 0.40 H new ATOM 0 HG23 ILE A 55 4.060 4.404 -1.185 1.00 0.40 H new ATOM 0 HD11 ILE A 55 4.744 6.256 2.485 1.00 0.68 H new ATOM 0 HD12 ILE A 55 4.090 7.473 1.364 1.00 0.68 H new ATOM 0 HD13 ILE A 55 3.509 5.793 1.292 1.00 0.68 H new ATOM 856 N LEU A 56 5.498 5.058 -4.043 1.00 0.30 N ATOM 857 CA LEU A 56 5.081 5.104 -5.435 1.00 0.32 C ATOM 858 C LEU A 56 3.590 4.799 -5.555 1.00 0.33 C ATOM 859 O LEU A 56 3.120 3.757 -5.089 1.00 0.39 O ATOM 860 CB LEU A 56 5.881 4.088 -6.250 1.00 0.37 C ATOM 861 CG LEU A 56 5.565 4.040 -7.747 1.00 0.42 C ATOM 862 CD1 LEU A 56 6.074 5.291 -8.439 1.00 0.45 C ATOM 863 CD2 LEU A 56 6.175 2.798 -8.382 1.00 0.46 C ATOM 0 H LEU A 56 5.516 4.119 -3.644 1.00 0.30 H new ATOM 0 HA LEU A 56 5.267 6.106 -5.822 1.00 0.32 H new ATOM 0 HB2 LEU A 56 6.942 4.307 -6.128 1.00 0.37 H new ATOM 0 HB3 LEU A 56 5.710 3.097 -5.829 1.00 0.37 H new ATOM 0 HG LEU A 56 4.483 3.994 -7.867 1.00 0.42 H new ATOM 0 HD11 LEU A 56 5.840 5.239 -9.502 1.00 0.45 H new ATOM 0 HD12 LEU A 56 5.594 6.168 -8.004 1.00 0.45 H new ATOM 0 HD13 LEU A 56 7.154 5.366 -8.308 1.00 0.45 H new ATOM 0 HD21 LEU A 56 5.940 2.781 -9.446 1.00 0.46 H new ATOM 0 HD22 LEU A 56 7.257 2.816 -8.249 1.00 0.46 H new ATOM 0 HD23 LEU A 56 5.765 1.907 -7.906 1.00 0.46 H new ATOM 875 N ASP A 57 2.854 5.717 -6.167 1.00 0.32 N ATOM 876 CA ASP A 57 1.420 5.543 -6.371 1.00 0.34 C ATOM 877 C ASP A 57 1.193 4.808 -7.686 1.00 0.36 C ATOM 878 O ASP A 57 1.145 5.426 -8.748 1.00 0.40 O ATOM 879 CB ASP A 57 0.695 6.902 -6.377 1.00 0.35 C ATOM 880 CG ASP A 57 -0.703 6.848 -6.972 1.00 0.37 C ATOM 881 OD1 ASP A 57 -1.526 5.987 -6.626 1.00 0.37 O ATOM 882 OD2 ASP A 57 -1.061 7.684 -7.810 1.00 0.44 O ATOM 0 H ASP A 57 3.227 6.593 -6.532 1.00 0.32 H new ATOM 0 HA ASP A 57 1.009 4.956 -5.549 1.00 0.34 H new ATOM 0 HB2 ASP A 57 0.631 7.274 -5.354 1.00 0.35 H new ATOM 0 HB3 ASP A 57 1.292 7.620 -6.940 1.00 0.35 H new ATOM 887 N THR A 58 1.088 3.488 -7.609 1.00 0.40 N ATOM 888 CA THR A 58 0.887 2.662 -8.792 1.00 0.44 C ATOM 889 C THR A 58 -0.412 3.008 -9.509 1.00 0.41 C ATOM 890 O THR A 58 -1.409 3.392 -8.883 1.00 0.49 O ATOM 891 CB THR A 58 0.881 1.167 -8.435 1.00 0.53 C ATOM 892 OG1 THR A 58 -0.077 0.917 -7.400 1.00 0.61 O ATOM 893 CG2 THR A 58 2.262 0.716 -7.979 1.00 0.73 C ATOM 0 H THR A 58 1.139 2.964 -6.735 1.00 0.40 H new ATOM 0 HA THR A 58 1.723 2.870 -9.460 1.00 0.44 H new ATOM 0 HB THR A 58 0.608 0.601 -9.326 1.00 0.53 H new ATOM 0 HG1 THR A 58 0.303 1.172 -6.534 1.00 0.61 H new ATOM 0 HG21 THR A 58 2.235 -0.345 -7.731 1.00 0.73 H new ATOM 0 HG22 THR A 58 2.982 0.883 -8.780 1.00 0.73 H new ATOM 0 HG23 THR A 58 2.559 1.286 -7.099 1.00 0.73 H new ATOM 901 N ALA A 59 -0.392 2.887 -10.821 1.00 0.41 N ATOM 902 CA ALA A 59 -1.560 3.160 -11.629 1.00 0.39 C ATOM 903 C ALA A 59 -2.426 1.907 -11.733 1.00 0.40 C ATOM 904 O ALA A 59 -3.469 1.803 -11.082 1.00 0.56 O ATOM 905 CB ALA A 59 -1.142 3.647 -13.009 1.00 0.43 C ATOM 0 H ALA A 59 0.429 2.599 -11.353 1.00 0.41 H new ATOM 0 HA ALA A 59 -2.147 3.946 -11.154 1.00 0.39 H new ATOM 0 HB1 ALA A 59 -2.030 3.849 -13.608 1.00 0.43 H new ATOM 0 HB2 ALA A 59 -0.555 4.560 -12.910 1.00 0.43 H new ATOM 0 HB3 ALA A 59 -0.541 2.881 -13.499 1.00 0.43 H new ATOM 911 N GLY A 60 -1.957 0.942 -12.511 1.00 0.42 N ATOM 912 CA GLY A 60 -2.680 -0.299 -12.702 1.00 0.46 C ATOM 913 C GLY A 60 -1.981 -1.192 -13.700 1.00 0.47 C ATOM 914 O GLY A 60 -1.855 -2.401 -13.491 1.00 0.72 O ATOM 0 H GLY A 60 -1.075 0.999 -13.020 1.00 0.42 H new ATOM 0 HA2 GLY A 60 -2.773 -0.819 -11.748 1.00 0.46 H new ATOM 0 HA3 GLY A 60 -3.691 -0.084 -13.048 1.00 0.46 H new ATOM 918 N GLN A 61 -1.508 -0.595 -14.784 1.00 0.43 N ATOM 919 CA GLN A 61 -0.812 -1.339 -15.819 1.00 0.51 C ATOM 920 C GLN A 61 0.454 -0.610 -16.231 1.00 0.44 C ATOM 921 O GLN A 61 0.560 0.604 -16.070 1.00 0.63 O ATOM 922 CB GLN A 61 -1.716 -1.551 -17.039 1.00 0.71 C ATOM 923 CG GLN A 61 -2.719 -2.681 -16.864 1.00 0.80 C ATOM 924 CD GLN A 61 -2.059 -4.047 -16.805 1.00 1.04 C ATOM 925 OE1 GLN A 61 -0.901 -4.178 -16.414 1.00 1.23 O ATOM 926 NE2 GLN A 61 -2.795 -5.076 -17.186 1.00 1.26 N ATOM 0 H GLN A 61 -1.595 0.404 -14.968 1.00 0.43 H new ATOM 0 HA GLN A 61 -0.544 -2.315 -15.414 1.00 0.51 H new ATOM 0 HB2 GLN A 61 -2.255 -0.627 -17.246 1.00 0.71 H new ATOM 0 HB3 GLN A 61 -1.094 -1.760 -17.910 1.00 0.71 H new ATOM 0 HG2 GLN A 61 -3.288 -2.517 -15.949 1.00 0.80 H new ATOM 0 HG3 GLN A 61 -3.430 -2.661 -17.690 1.00 0.80 H new ATOM 0 HE21 GLN A 61 -3.753 -4.928 -17.505 1.00 1.26 H new ATOM 0 HE22 GLN A 61 -2.406 -6.018 -17.162 1.00 1.26 H new ATOM 935 N GLU A 62 1.411 -1.358 -16.746 1.00 0.51 N ATOM 936 CA GLU A 62 2.671 -0.789 -17.184 1.00 0.54 C ATOM 937 C GLU A 62 2.872 -1.063 -18.670 1.00 0.54 C ATOM 938 O GLU A 62 2.321 -2.031 -19.197 1.00 0.59 O ATOM 939 CB GLU A 62 3.816 -1.396 -16.373 1.00 0.70 C ATOM 940 CG GLU A 62 4.738 -0.368 -15.738 1.00 0.81 C ATOM 941 CD GLU A 62 5.356 0.565 -16.755 1.00 0.96 C ATOM 942 OE1 GLU A 62 5.887 0.071 -17.770 1.00 1.57 O ATOM 943 OE2 GLU A 62 5.291 1.798 -16.552 1.00 1.43 O ATOM 0 H GLU A 62 1.339 -2.368 -16.872 1.00 0.51 H new ATOM 0 HA GLU A 62 2.658 0.289 -17.026 1.00 0.54 H new ATOM 0 HB2 GLU A 62 3.397 -2.027 -15.589 1.00 0.70 H new ATOM 0 HB3 GLU A 62 4.404 -2.044 -17.023 1.00 0.70 H new ATOM 0 HG2 GLU A 62 4.177 0.216 -15.008 1.00 0.81 H new ATOM 0 HG3 GLU A 62 5.530 -0.883 -15.194 1.00 0.81 H new ATOM 950 N GLU A 63 3.643 -0.216 -19.343 1.00 0.55 N ATOM 951 CA GLU A 63 3.916 -0.400 -20.761 1.00 0.59 C ATOM 952 C GLU A 63 4.778 -1.636 -20.946 1.00 0.47 C ATOM 953 O GLU A 63 4.634 -2.372 -21.923 1.00 0.50 O ATOM 954 CB GLU A 63 4.614 0.829 -21.362 1.00 0.70 C ATOM 955 CG GLU A 63 3.741 1.598 -22.340 1.00 0.96 C ATOM 956 CD GLU A 63 4.524 2.600 -23.168 1.00 1.10 C ATOM 957 OE1 GLU A 63 4.649 3.771 -22.741 1.00 1.32 O ATOM 958 OE2 GLU A 63 5.008 2.229 -24.260 1.00 1.38 O ATOM 0 H GLU A 63 4.089 0.603 -18.929 1.00 0.55 H new ATOM 0 HA GLU A 63 2.968 -0.528 -21.284 1.00 0.59 H new ATOM 0 HB2 GLU A 63 4.918 1.496 -20.555 1.00 0.70 H new ATOM 0 HB3 GLU A 63 5.523 0.509 -21.871 1.00 0.70 H new ATOM 0 HG2 GLU A 63 3.243 0.894 -23.006 1.00 0.96 H new ATOM 0 HG3 GLU A 63 2.960 2.121 -21.788 1.00 0.96 H new ATOM 965 N TYR A 64 5.657 -1.871 -19.979 1.00 0.40 N ATOM 966 CA TYR A 64 6.542 -3.022 -20.017 1.00 0.34 C ATOM 967 C TYR A 64 6.497 -3.775 -18.694 1.00 0.30 C ATOM 968 O TYR A 64 6.694 -3.190 -17.629 1.00 0.30 O ATOM 969 CB TYR A 64 7.972 -2.580 -20.335 1.00 0.36 C ATOM 970 CG TYR A 64 8.114 -1.954 -21.703 1.00 0.44 C ATOM 971 CD1 TYR A 64 8.268 -2.742 -22.837 1.00 0.59 C ATOM 972 CD2 TYR A 64 8.081 -0.575 -21.861 1.00 0.66 C ATOM 973 CE1 TYR A 64 8.384 -2.173 -24.090 1.00 0.68 C ATOM 974 CE2 TYR A 64 8.197 0.002 -23.108 1.00 0.76 C ATOM 975 CZ TYR A 64 8.347 -0.802 -24.220 1.00 0.67 C ATOM 976 OH TYR A 64 8.452 -0.231 -25.470 1.00 0.81 O ATOM 0 H TYR A 64 5.774 -1.276 -19.158 1.00 0.40 H new ATOM 0 HA TYR A 64 6.203 -3.695 -20.805 1.00 0.34 H new ATOM 0 HB2 TYR A 64 8.300 -1.865 -19.580 1.00 0.36 H new ATOM 0 HB3 TYR A 64 8.635 -3.442 -20.267 1.00 0.36 H new ATOM 0 HD1 TYR A 64 8.297 -3.817 -22.737 1.00 0.59 H new ATOM 0 HD2 TYR A 64 7.963 0.056 -20.993 1.00 0.66 H new ATOM 0 HE1 TYR A 64 8.503 -2.799 -24.962 1.00 0.68 H new ATOM 0 HE2 TYR A 64 8.171 1.076 -23.214 1.00 0.76 H new ATOM 0 HH TYR A 64 8.407 0.745 -25.389 1.00 0.81 H new ATOM 986 N SER A 65 6.246 -5.073 -18.769 1.00 0.32 N ATOM 987 CA SER A 65 6.159 -5.919 -17.586 1.00 0.34 C ATOM 988 C SER A 65 7.452 -5.856 -16.767 1.00 0.30 C ATOM 989 O SER A 65 7.431 -6.020 -15.545 1.00 0.35 O ATOM 990 CB SER A 65 5.867 -7.357 -18.018 1.00 0.40 C ATOM 991 OG SER A 65 4.950 -7.382 -19.104 1.00 0.63 O ATOM 0 H SER A 65 6.097 -5.569 -19.648 1.00 0.32 H new ATOM 0 HA SER A 65 5.350 -5.558 -16.951 1.00 0.34 H new ATOM 0 HB2 SER A 65 6.795 -7.850 -18.308 1.00 0.40 H new ATOM 0 HB3 SER A 65 5.458 -7.918 -17.178 1.00 0.40 H new ATOM 0 HG SER A 65 4.778 -8.311 -19.366 1.00 0.63 H new ATOM 997 N ALA A 66 8.572 -5.611 -17.445 1.00 0.26 N ATOM 998 CA ALA A 66 9.868 -5.514 -16.785 1.00 0.26 C ATOM 999 C ALA A 66 9.949 -4.252 -15.933 1.00 0.26 C ATOM 1000 O ALA A 66 10.510 -4.262 -14.839 1.00 0.32 O ATOM 1001 CB ALA A 66 10.982 -5.533 -17.822 1.00 0.26 C ATOM 0 H ALA A 66 8.605 -5.476 -18.455 1.00 0.26 H new ATOM 0 HA ALA A 66 9.987 -6.373 -16.125 1.00 0.26 H new ATOM 0 HB1 ALA A 66 11.947 -5.460 -17.321 1.00 0.26 H new ATOM 0 HB2 ALA A 66 10.936 -6.463 -18.388 1.00 0.26 H new ATOM 0 HB3 ALA A 66 10.861 -4.689 -18.501 1.00 0.26 H new ATOM 1007 N MET A 67 9.361 -3.173 -16.436 1.00 0.25 N ATOM 1008 CA MET A 67 9.363 -1.896 -15.733 1.00 0.30 C ATOM 1009 C MET A 67 8.453 -1.967 -14.514 1.00 0.30 C ATOM 1010 O MET A 67 8.705 -1.316 -13.501 1.00 0.34 O ATOM 1011 CB MET A 67 8.934 -0.759 -16.668 1.00 0.36 C ATOM 1012 CG MET A 67 10.110 0.028 -17.231 1.00 0.50 C ATOM 1013 SD MET A 67 9.735 0.856 -18.794 1.00 0.63 S ATOM 1014 CE MET A 67 8.394 1.943 -18.311 1.00 0.69 C ATOM 0 H MET A 67 8.875 -3.158 -17.332 1.00 0.25 H new ATOM 0 HA MET A 67 10.378 -1.687 -15.396 1.00 0.30 H new ATOM 0 HB2 MET A 67 8.354 -1.174 -17.493 1.00 0.36 H new ATOM 0 HB3 MET A 67 8.276 -0.080 -16.126 1.00 0.36 H new ATOM 0 HG2 MET A 67 10.423 0.773 -16.499 1.00 0.50 H new ATOM 0 HG3 MET A 67 10.953 -0.647 -17.379 1.00 0.50 H new ATOM 0 HE1 MET A 67 7.489 1.667 -18.853 1.00 0.69 H new ATOM 0 HE2 MET A 67 8.218 1.850 -17.239 1.00 0.69 H new ATOM 0 HE3 MET A 67 8.658 2.974 -18.547 1.00 0.69 H new ATOM 1024 N ARG A 68 7.404 -2.778 -14.611 1.00 0.31 N ATOM 1025 CA ARG A 68 6.471 -2.956 -13.505 1.00 0.36 C ATOM 1026 C ARG A 68 7.152 -3.720 -12.378 1.00 0.37 C ATOM 1027 O ARG A 68 7.159 -3.288 -11.225 1.00 0.41 O ATOM 1028 CB ARG A 68 5.231 -3.720 -13.964 1.00 0.43 C ATOM 1029 CG ARG A 68 4.186 -3.893 -12.874 1.00 0.55 C ATOM 1030 CD ARG A 68 3.340 -5.134 -13.108 1.00 0.62 C ATOM 1031 NE ARG A 68 4.144 -6.355 -13.079 1.00 0.64 N ATOM 1032 CZ ARG A 68 3.952 -7.406 -13.878 1.00 0.76 C ATOM 1033 NH1 ARG A 68 2.981 -7.402 -14.781 1.00 0.90 N ATOM 1034 NH2 ARG A 68 4.755 -8.455 -13.781 1.00 0.86 N ATOM 0 H ARG A 68 7.179 -3.322 -15.444 1.00 0.31 H new ATOM 0 HA ARG A 68 6.163 -1.973 -13.149 1.00 0.36 H new ATOM 0 HB2 ARG A 68 4.782 -3.194 -14.807 1.00 0.43 H new ATOM 0 HB3 ARG A 68 5.533 -4.703 -14.326 1.00 0.43 H new ATOM 0 HG2 ARG A 68 4.678 -3.964 -11.904 1.00 0.55 H new ATOM 0 HG3 ARG A 68 3.543 -3.013 -12.841 1.00 0.55 H new ATOM 0 HD2 ARG A 68 2.563 -5.193 -12.346 1.00 0.62 H new ATOM 0 HD3 ARG A 68 2.836 -5.054 -14.071 1.00 0.62 H new ATOM 0 HE ARG A 68 4.904 -6.407 -12.401 1.00 0.64 H new ATOM 0 HH11 ARG A 68 2.371 -6.589 -14.870 1.00 0.90 H new ATOM 0 HH12 ARG A 68 2.844 -8.212 -15.386 1.00 0.90 H new ATOM 0 HH21 ARG A 68 5.513 -8.455 -13.099 1.00 0.86 H new ATOM 0 HH22 ARG A 68 4.615 -9.262 -14.388 1.00 0.86 H new ATOM 1048 N ASP A 69 7.751 -4.851 -12.733 1.00 0.37 N ATOM 1049 CA ASP A 69 8.449 -5.691 -11.764 1.00 0.42 C ATOM 1050 C ASP A 69 9.671 -4.973 -11.208 1.00 0.36 C ATOM 1051 O ASP A 69 10.167 -5.315 -10.141 1.00 0.42 O ATOM 1052 CB ASP A 69 8.877 -7.013 -12.401 1.00 0.58 C ATOM 1053 CG ASP A 69 7.756 -8.038 -12.466 1.00 0.78 C ATOM 1054 OD1 ASP A 69 6.613 -7.711 -12.095 1.00 0.94 O ATOM 1055 OD2 ASP A 69 8.015 -9.179 -12.910 1.00 1.41 O ATOM 0 H ASP A 69 7.768 -5.209 -13.688 1.00 0.37 H new ATOM 0 HA ASP A 69 7.758 -5.899 -10.947 1.00 0.42 H new ATOM 0 HB2 ASP A 69 9.244 -6.821 -13.409 1.00 0.58 H new ATOM 0 HB3 ASP A 69 9.709 -7.430 -11.833 1.00 0.58 H new ATOM 1060 N GLN A 70 10.147 -3.971 -11.945 1.00 0.32 N ATOM 1061 CA GLN A 70 11.307 -3.192 -11.534 1.00 0.31 C ATOM 1062 C GLN A 70 11.082 -2.548 -10.169 1.00 0.26 C ATOM 1063 O GLN A 70 11.828 -2.814 -9.221 1.00 0.33 O ATOM 1064 CB GLN A 70 11.618 -2.111 -12.571 1.00 0.34 C ATOM 1065 CG GLN A 70 13.014 -1.535 -12.442 1.00 0.43 C ATOM 1066 CD GLN A 70 13.201 -0.270 -13.246 1.00 0.96 C ATOM 1067 OE1 GLN A 70 13.519 -0.316 -14.435 1.00 1.51 O ATOM 1068 NE2 GLN A 70 13.006 0.868 -12.602 1.00 1.30 N ATOM 0 H GLN A 70 9.742 -3.680 -12.835 1.00 0.32 H new ATOM 0 HA GLN A 70 12.155 -3.872 -11.459 1.00 0.31 H new ATOM 0 HB2 GLN A 70 11.497 -2.531 -13.570 1.00 0.34 H new ATOM 0 HB3 GLN A 70 10.890 -1.305 -12.474 1.00 0.34 H new ATOM 0 HG2 GLN A 70 13.221 -1.327 -11.392 1.00 0.43 H new ATOM 0 HG3 GLN A 70 13.741 -2.279 -12.769 1.00 0.43 H new ATOM 0 HE21 GLN A 70 12.743 0.858 -11.616 1.00 1.30 H new ATOM 0 HE22 GLN A 70 13.118 1.756 -13.091 1.00 1.30 H new ATOM 1077 N TYR A 71 10.028 -1.741 -10.051 1.00 0.23 N ATOM 1078 CA TYR A 71 9.743 -1.077 -8.789 1.00 0.27 C ATOM 1079 C TYR A 71 9.256 -2.079 -7.749 1.00 0.24 C ATOM 1080 O TYR A 71 9.325 -1.822 -6.544 1.00 0.29 O ATOM 1081 CB TYR A 71 8.752 0.090 -8.958 1.00 0.37 C ATOM 1082 CG TYR A 71 7.422 -0.228 -9.620 1.00 0.44 C ATOM 1083 CD1 TYR A 71 6.445 -0.976 -8.967 1.00 0.53 C ATOM 1084 CD2 TYR A 71 7.123 0.275 -10.883 1.00 0.67 C ATOM 1085 CE1 TYR A 71 5.213 -1.212 -9.557 1.00 0.77 C ATOM 1086 CE2 TYR A 71 5.898 0.035 -11.478 1.00 0.86 C ATOM 1087 CZ TYR A 71 4.947 -0.704 -10.811 1.00 0.90 C ATOM 1088 OH TYR A 71 3.719 -0.928 -11.394 1.00 1.17 O ATOM 0 H TYR A 71 9.370 -1.536 -10.803 1.00 0.23 H new ATOM 0 HA TYR A 71 10.676 -0.643 -8.430 1.00 0.27 H new ATOM 0 HB2 TYR A 71 8.549 0.508 -7.972 1.00 0.37 H new ATOM 0 HB3 TYR A 71 9.243 0.870 -9.540 1.00 0.37 H new ATOM 0 HD1 TYR A 71 6.651 -1.378 -7.986 1.00 0.53 H new ATOM 0 HD2 TYR A 71 7.861 0.863 -11.408 1.00 0.67 H new ATOM 0 HE1 TYR A 71 4.465 -1.791 -9.037 1.00 0.77 H new ATOM 0 HE2 TYR A 71 5.688 0.426 -12.463 1.00 0.86 H new ATOM 0 HH TYR A 71 3.693 -0.502 -12.276 1.00 1.17 H new ATOM 1098 N MET A 72 8.778 -3.225 -8.216 1.00 0.24 N ATOM 1099 CA MET A 72 8.313 -4.268 -7.315 1.00 0.28 C ATOM 1100 C MET A 72 9.506 -4.978 -6.674 1.00 0.31 C ATOM 1101 O MET A 72 9.409 -5.510 -5.572 1.00 0.44 O ATOM 1102 CB MET A 72 7.421 -5.278 -8.046 1.00 0.36 C ATOM 1103 CG MET A 72 6.062 -4.717 -8.442 1.00 0.39 C ATOM 1104 SD MET A 72 5.077 -5.866 -9.434 1.00 0.51 S ATOM 1105 CE MET A 72 4.882 -7.224 -8.282 1.00 0.70 C ATOM 0 H MET A 72 8.703 -3.454 -9.207 1.00 0.24 H new ATOM 0 HA MET A 72 7.715 -3.799 -6.533 1.00 0.28 H new ATOM 0 HB2 MET A 72 7.937 -5.624 -8.942 1.00 0.36 H new ATOM 0 HB3 MET A 72 7.273 -6.149 -7.407 1.00 0.36 H new ATOM 0 HG2 MET A 72 5.507 -4.457 -7.541 1.00 0.39 H new ATOM 0 HG3 MET A 72 6.207 -3.794 -9.004 1.00 0.39 H new ATOM 0 HE1 MET A 72 4.221 -7.976 -8.714 1.00 0.70 H new ATOM 0 HE2 MET A 72 5.855 -7.671 -8.078 1.00 0.70 H new ATOM 0 HE3 MET A 72 4.451 -6.853 -7.352 1.00 0.70 H new ATOM 1115 N ARG A 73 10.634 -4.979 -7.374 1.00 0.25 N ATOM 1116 CA ARG A 73 11.850 -5.598 -6.868 1.00 0.30 C ATOM 1117 C ARG A 73 12.564 -4.643 -5.926 1.00 0.27 C ATOM 1118 O ARG A 73 13.060 -5.044 -4.870 1.00 0.34 O ATOM 1119 CB ARG A 73 12.777 -5.975 -8.027 1.00 0.37 C ATOM 1120 CG ARG A 73 12.394 -7.273 -8.722 1.00 0.45 C ATOM 1121 CD ARG A 73 13.389 -7.629 -9.813 1.00 0.50 C ATOM 1122 NE ARG A 73 13.002 -7.086 -11.114 1.00 0.80 N ATOM 1123 CZ ARG A 73 13.672 -6.132 -11.761 1.00 0.81 C ATOM 1124 NH1 ARG A 73 14.763 -5.600 -11.228 1.00 1.19 N ATOM 1125 NH2 ARG A 73 13.262 -5.731 -12.958 1.00 1.29 N ATOM 0 H ARG A 73 10.730 -4.556 -8.297 1.00 0.25 H new ATOM 0 HA ARG A 73 11.581 -6.504 -6.324 1.00 0.30 H new ATOM 0 HB2 ARG A 73 12.775 -5.167 -8.759 1.00 0.37 H new ATOM 0 HB3 ARG A 73 13.796 -6.062 -7.651 1.00 0.37 H new ATOM 0 HG2 ARG A 73 12.349 -8.080 -7.991 1.00 0.45 H new ATOM 0 HG3 ARG A 73 11.397 -7.177 -9.153 1.00 0.45 H new ATOM 0 HD2 ARG A 73 14.374 -7.249 -9.542 1.00 0.50 H new ATOM 0 HD3 ARG A 73 13.474 -8.713 -9.885 1.00 0.50 H new ATOM 0 HE ARG A 73 12.163 -7.462 -11.556 1.00 0.80 H new ATOM 0 HH11 ARG A 73 15.094 -5.920 -10.318 1.00 1.19 H new ATOM 0 HH12 ARG A 73 15.271 -4.870 -11.728 1.00 1.19 H new ATOM 0 HH21 ARG A 73 12.435 -6.153 -13.382 1.00 1.29 H new ATOM 0 HH22 ARG A 73 13.773 -5.001 -13.454 1.00 1.29 H new ATOM 1139 N THR A 74 12.593 -3.371 -6.301 1.00 0.23 N ATOM 1140 CA THR A 74 13.247 -2.352 -5.494 1.00 0.23 C ATOM 1141 C THR A 74 12.407 -1.981 -4.282 1.00 0.20 C ATOM 1142 O THR A 74 12.880 -1.307 -3.366 1.00 0.24 O ATOM 1143 CB THR A 74 13.525 -1.084 -6.325 1.00 0.26 C ATOM 1144 OG1 THR A 74 12.376 -0.756 -7.121 1.00 0.64 O ATOM 1145 CG2 THR A 74 14.732 -1.287 -7.229 1.00 0.72 C ATOM 0 H THR A 74 12.170 -3.021 -7.161 1.00 0.23 H new ATOM 0 HA THR A 74 14.192 -2.774 -5.153 1.00 0.23 H new ATOM 0 HB THR A 74 13.736 -0.264 -5.638 1.00 0.26 H new ATOM 0 HG1 THR A 74 12.561 0.052 -7.645 1.00 0.64 H new ATOM 0 HG21 THR A 74 14.911 -0.380 -7.807 1.00 0.72 H new ATOM 0 HG22 THR A 74 15.609 -1.508 -6.621 1.00 0.72 H new ATOM 0 HG23 THR A 74 14.542 -2.118 -7.908 1.00 0.72 H new ATOM 1153 N GLY A 75 11.155 -2.416 -4.287 1.00 0.17 N ATOM 1154 CA GLY A 75 10.262 -2.122 -3.189 1.00 0.16 C ATOM 1155 C GLY A 75 10.574 -2.946 -1.958 1.00 0.14 C ATOM 1156 O GLY A 75 10.702 -4.171 -2.034 1.00 0.19 O ATOM 0 H GLY A 75 10.742 -2.970 -5.037 1.00 0.17 H new ATOM 0 HA2 GLY A 75 10.331 -1.063 -2.941 1.00 0.16 H new ATOM 0 HA3 GLY A 75 9.234 -2.311 -3.499 1.00 0.16 H new ATOM 1160 N GLU A 76 10.710 -2.276 -0.823 1.00 0.16 N ATOM 1161 CA GLU A 76 11.006 -2.949 0.431 1.00 0.20 C ATOM 1162 C GLU A 76 9.718 -3.390 1.103 1.00 0.23 C ATOM 1163 O GLU A 76 9.598 -4.526 1.560 1.00 0.34 O ATOM 1164 CB GLU A 76 11.780 -2.022 1.361 1.00 0.26 C ATOM 1165 CG GLU A 76 13.024 -1.429 0.731 1.00 0.30 C ATOM 1166 CD GLU A 76 13.828 -0.609 1.711 1.00 0.34 C ATOM 1167 OE1 GLU A 76 13.714 0.633 1.680 1.00 0.43 O ATOM 1168 OE2 GLU A 76 14.578 -1.200 2.517 1.00 0.54 O ATOM 0 H GLU A 76 10.619 -1.263 -0.746 1.00 0.16 H new ATOM 0 HA GLU A 76 11.617 -3.826 0.217 1.00 0.20 H new ATOM 0 HB2 GLU A 76 11.124 -1.212 1.681 1.00 0.26 H new ATOM 0 HB3 GLU A 76 12.065 -2.575 2.256 1.00 0.26 H new ATOM 0 HG2 GLU A 76 13.646 -2.232 0.336 1.00 0.30 H new ATOM 0 HG3 GLU A 76 12.737 -0.803 -0.114 1.00 0.30 H new ATOM 1175 N GLY A 77 8.758 -2.484 1.151 1.00 0.21 N ATOM 1176 CA GLY A 77 7.483 -2.782 1.755 1.00 0.23 C ATOM 1177 C GLY A 77 6.349 -2.453 0.820 1.00 0.17 C ATOM 1178 O GLY A 77 6.421 -1.473 0.077 1.00 0.26 O ATOM 0 H GLY A 77 8.842 -1.538 0.778 1.00 0.21 H new ATOM 0 HA2 GLY A 77 7.442 -3.838 2.023 1.00 0.23 H new ATOM 0 HA3 GLY A 77 7.373 -2.214 2.679 1.00 0.23 H new ATOM 1182 N PHE A 78 5.304 -3.257 0.847 1.00 0.11 N ATOM 1183 CA PHE A 78 4.168 -3.037 -0.031 1.00 0.17 C ATOM 1184 C PHE A 78 2.879 -2.850 0.758 1.00 0.17 C ATOM 1185 O PHE A 78 2.606 -3.579 1.711 1.00 0.20 O ATOM 1186 CB PHE A 78 4.011 -4.202 -1.013 1.00 0.24 C ATOM 1187 CG PHE A 78 5.108 -4.293 -2.031 1.00 0.28 C ATOM 1188 CD1 PHE A 78 6.323 -4.877 -1.710 1.00 0.29 C ATOM 1189 CD2 PHE A 78 4.926 -3.793 -3.310 1.00 0.43 C ATOM 1190 CE1 PHE A 78 7.336 -4.955 -2.644 1.00 0.35 C ATOM 1191 CE2 PHE A 78 5.934 -3.871 -4.248 1.00 0.48 C ATOM 1192 CZ PHE A 78 7.141 -4.451 -3.912 1.00 0.40 C ATOM 0 H PHE A 78 5.216 -4.065 1.463 1.00 0.11 H new ATOM 0 HA PHE A 78 4.362 -2.121 -0.590 1.00 0.17 H new ATOM 0 HB2 PHE A 78 3.973 -5.135 -0.451 1.00 0.24 H new ATOM 0 HB3 PHE A 78 3.057 -4.102 -1.530 1.00 0.24 H new ATOM 0 HD1 PHE A 78 6.479 -5.275 -0.718 1.00 0.29 H new ATOM 0 HD2 PHE A 78 3.984 -3.337 -3.576 1.00 0.43 H new ATOM 0 HE1 PHE A 78 8.280 -5.410 -2.382 1.00 0.35 H new ATOM 0 HE2 PHE A 78 5.780 -3.479 -5.243 1.00 0.48 H new ATOM 0 HZ PHE A 78 7.933 -4.510 -4.644 1.00 0.40 H new ATOM 1202 N LEU A 79 2.092 -1.863 0.360 1.00 0.19 N ATOM 1203 CA LEU A 79 0.825 -1.587 1.015 1.00 0.20 C ATOM 1204 C LEU A 79 -0.297 -2.243 0.225 1.00 0.21 C ATOM 1205 O LEU A 79 -0.630 -1.800 -0.876 1.00 0.24 O ATOM 1206 CB LEU A 79 0.593 -0.076 1.111 1.00 0.23 C ATOM 1207 CG LEU A 79 -0.322 0.379 2.250 1.00 0.26 C ATOM 1208 CD1 LEU A 79 0.343 0.130 3.592 1.00 0.37 C ATOM 1209 CD2 LEU A 79 -0.671 1.853 2.104 1.00 0.27 C ATOM 0 H LEU A 79 2.310 -1.238 -0.416 1.00 0.19 H new ATOM 0 HA LEU A 79 0.844 -1.994 2.026 1.00 0.20 H new ATOM 0 HB2 LEU A 79 1.559 0.416 1.226 1.00 0.23 H new ATOM 0 HB3 LEU A 79 0.170 0.270 0.168 1.00 0.23 H new ATOM 0 HG LEU A 79 -1.244 -0.201 2.200 1.00 0.26 H new ATOM 0 HD11 LEU A 79 -0.319 0.459 4.393 1.00 0.37 H new ATOM 0 HD12 LEU A 79 0.548 -0.935 3.704 1.00 0.37 H new ATOM 0 HD13 LEU A 79 1.278 0.687 3.643 1.00 0.37 H new ATOM 0 HD21 LEU A 79 -1.322 2.156 2.924 1.00 0.27 H new ATOM 0 HD22 LEU A 79 0.242 2.447 2.128 1.00 0.27 H new ATOM 0 HD23 LEU A 79 -1.184 2.013 1.156 1.00 0.27 H new ATOM 1221 N CYS A 80 -0.844 -3.323 0.768 1.00 0.21 N ATOM 1222 CA CYS A 80 -1.930 -4.043 0.116 1.00 0.25 C ATOM 1223 C CYS A 80 -3.250 -3.316 0.331 1.00 0.24 C ATOM 1224 O CYS A 80 -3.995 -3.614 1.266 1.00 0.28 O ATOM 1225 CB CYS A 80 -2.020 -5.470 0.663 1.00 0.31 C ATOM 1226 SG CYS A 80 -0.479 -6.085 1.382 1.00 0.61 S ATOM 0 H CYS A 80 -0.552 -3.720 1.661 1.00 0.21 H new ATOM 0 HA CYS A 80 -1.726 -4.088 -0.954 1.00 0.25 H new ATOM 0 HB2 CYS A 80 -2.802 -5.508 1.421 1.00 0.31 H new ATOM 0 HB3 CYS A 80 -2.324 -6.138 -0.143 1.00 0.31 H new ATOM 0 HG CYS A 80 -0.657 -7.297 1.818 1.00 0.61 H new ATOM 1232 N VAL A 81 -3.532 -2.352 -0.529 1.00 0.29 N ATOM 1233 CA VAL A 81 -4.754 -1.571 -0.416 1.00 0.33 C ATOM 1234 C VAL A 81 -5.890 -2.177 -1.228 1.00 0.30 C ATOM 1235 O VAL A 81 -5.714 -2.552 -2.391 1.00 0.36 O ATOM 1236 CB VAL A 81 -4.531 -0.114 -0.873 1.00 0.44 C ATOM 1237 CG1 VAL A 81 -5.799 0.708 -0.708 1.00 0.59 C ATOM 1238 CG2 VAL A 81 -3.393 0.522 -0.098 1.00 0.42 C ATOM 0 H VAL A 81 -2.933 -2.091 -1.312 1.00 0.29 H new ATOM 0 HA VAL A 81 -5.031 -1.582 0.638 1.00 0.33 H new ATOM 0 HB VAL A 81 -4.267 -0.132 -1.930 1.00 0.44 H new ATOM 0 HG11 VAL A 81 -5.615 1.731 -1.037 1.00 0.59 H new ATOM 0 HG12 VAL A 81 -6.597 0.271 -1.309 1.00 0.59 H new ATOM 0 HG13 VAL A 81 -6.096 0.712 0.341 1.00 0.59 H new ATOM 0 HG21 VAL A 81 -3.252 1.549 -0.435 1.00 0.42 H new ATOM 0 HG22 VAL A 81 -3.631 0.519 0.966 1.00 0.42 H new ATOM 0 HG23 VAL A 81 -2.477 -0.044 -0.267 1.00 0.42 H new ATOM 1248 N PHE A 82 -7.049 -2.281 -0.596 1.00 0.26 N ATOM 1249 CA PHE A 82 -8.243 -2.802 -1.244 1.00 0.26 C ATOM 1250 C PHE A 82 -9.456 -2.053 -0.717 1.00 0.25 C ATOM 1251 O PHE A 82 -9.350 -1.294 0.247 1.00 0.25 O ATOM 1252 CB PHE A 82 -8.390 -4.314 -1.007 1.00 0.28 C ATOM 1253 CG PHE A 82 -8.812 -4.689 0.387 1.00 0.27 C ATOM 1254 CD1 PHE A 82 -7.886 -4.759 1.412 1.00 0.31 C ATOM 1255 CD2 PHE A 82 -10.137 -4.971 0.668 1.00 0.30 C ATOM 1256 CE1 PHE A 82 -8.274 -5.103 2.694 1.00 0.34 C ATOM 1257 CE2 PHE A 82 -10.534 -5.314 1.946 1.00 0.30 C ATOM 1258 CZ PHE A 82 -9.600 -5.380 2.962 1.00 0.30 C ATOM 0 H PHE A 82 -7.188 -2.008 0.377 1.00 0.26 H new ATOM 0 HA PHE A 82 -8.160 -2.651 -2.320 1.00 0.26 H new ATOM 0 HB2 PHE A 82 -9.120 -4.710 -1.713 1.00 0.28 H new ATOM 0 HB3 PHE A 82 -7.438 -4.798 -1.227 1.00 0.28 H new ATOM 0 HD1 PHE A 82 -6.848 -4.542 1.209 1.00 0.31 H new ATOM 0 HD2 PHE A 82 -10.871 -4.922 -0.123 1.00 0.30 H new ATOM 0 HE1 PHE A 82 -7.540 -5.155 3.485 1.00 0.34 H new ATOM 0 HE2 PHE A 82 -11.572 -5.530 2.150 1.00 0.30 H new ATOM 0 HZ PHE A 82 -9.906 -5.647 3.963 1.00 0.30 H new ATOM 1268 N ALA A 83 -10.597 -2.239 -1.350 1.00 0.28 N ATOM 1269 CA ALA A 83 -11.807 -1.572 -0.914 1.00 0.27 C ATOM 1270 C ALA A 83 -12.769 -2.567 -0.279 1.00 0.28 C ATOM 1271 O ALA A 83 -13.148 -3.557 -0.904 1.00 0.31 O ATOM 1272 CB ALA A 83 -12.460 -0.865 -2.087 1.00 0.32 C ATOM 0 H ALA A 83 -10.712 -2.843 -2.164 1.00 0.28 H new ATOM 0 HA ALA A 83 -11.547 -0.829 -0.160 1.00 0.27 H new ATOM 0 HB1 ALA A 83 -13.369 -0.366 -1.751 1.00 0.32 H new ATOM 0 HB2 ALA A 83 -11.771 -0.126 -2.496 1.00 0.32 H new ATOM 0 HB3 ALA A 83 -12.710 -1.594 -2.858 1.00 0.32 H new ATOM 1278 N ILE A 84 -13.172 -2.299 0.959 1.00 0.28 N ATOM 1279 CA ILE A 84 -14.089 -3.190 1.663 1.00 0.31 C ATOM 1280 C ILE A 84 -15.497 -3.098 1.082 1.00 0.31 C ATOM 1281 O ILE A 84 -16.398 -3.836 1.476 1.00 0.33 O ATOM 1282 CB ILE A 84 -14.134 -2.910 3.181 1.00 0.37 C ATOM 1283 CG1 ILE A 84 -14.049 -1.407 3.457 1.00 0.54 C ATOM 1284 CG2 ILE A 84 -13.007 -3.651 3.893 1.00 0.53 C ATOM 1285 CD1 ILE A 84 -14.253 -1.058 4.911 1.00 0.78 C ATOM 0 H ILE A 84 -12.881 -1.479 1.492 1.00 0.28 H new ATOM 0 HA ILE A 84 -13.705 -4.200 1.521 1.00 0.31 H new ATOM 0 HB ILE A 84 -15.085 -3.274 3.569 1.00 0.37 H new ATOM 0 HG12 ILE A 84 -13.075 -1.039 3.135 1.00 0.54 H new ATOM 0 HG13 ILE A 84 -14.799 -0.891 2.857 1.00 0.54 H new ATOM 0 HG21 ILE A 84 -13.053 -3.443 4.962 1.00 0.53 H new ATOM 0 HG22 ILE A 84 -13.115 -4.723 3.727 1.00 0.53 H new ATOM 0 HG23 ILE A 84 -12.047 -3.318 3.500 1.00 0.53 H new ATOM 0 HD11 ILE A 84 -14.181 0.022 5.040 1.00 0.78 H new ATOM 0 HD12 ILE A 84 -15.238 -1.396 5.232 1.00 0.78 H new ATOM 0 HD13 ILE A 84 -13.488 -1.547 5.513 1.00 0.78 H new ATOM 1297 N ASN A 85 -15.679 -2.187 0.141 1.00 0.33 N ATOM 1298 CA ASN A 85 -16.962 -2.007 -0.516 1.00 0.38 C ATOM 1299 C ASN A 85 -16.900 -2.563 -1.933 1.00 0.36 C ATOM 1300 O ASN A 85 -17.769 -2.293 -2.761 1.00 0.48 O ATOM 1301 CB ASN A 85 -17.345 -0.524 -0.553 1.00 0.51 C ATOM 1302 CG ASN A 85 -16.437 0.285 -1.461 1.00 0.62 C ATOM 1303 OD1 ASN A 85 -15.289 0.564 -1.119 1.00 0.68 O ATOM 1304 ND2 ASN A 85 -16.949 0.668 -2.620 1.00 0.82 N ATOM 0 H ASN A 85 -14.948 -1.556 -0.187 1.00 0.33 H new ATOM 0 HA ASN A 85 -17.721 -2.547 0.050 1.00 0.38 H new ATOM 0 HB2 ASN A 85 -18.376 -0.426 -0.894 1.00 0.51 H new ATOM 0 HB3 ASN A 85 -17.303 -0.115 0.457 1.00 0.51 H new ATOM 0 HD21 ASN A 85 -16.386 1.217 -3.270 1.00 0.82 H new ATOM 0 HD22 ASN A 85 -17.906 0.414 -2.863 1.00 0.82 H new ATOM 1311 N ASN A 86 -15.864 -3.348 -2.201 1.00 0.34 N ATOM 1312 CA ASN A 86 -15.672 -3.949 -3.515 1.00 0.39 C ATOM 1313 C ASN A 86 -14.887 -5.256 -3.396 1.00 0.33 C ATOM 1314 O ASN A 86 -13.656 -5.254 -3.270 1.00 0.33 O ATOM 1315 CB ASN A 86 -14.948 -2.972 -4.447 1.00 0.53 C ATOM 1316 CG ASN A 86 -14.737 -3.533 -5.838 1.00 0.64 C ATOM 1317 OD1 ASN A 86 -13.726 -4.179 -6.105 1.00 1.07 O ATOM 1318 ND2 ASN A 86 -15.674 -3.280 -6.738 1.00 0.98 N ATOM 0 H ASN A 86 -15.140 -3.584 -1.522 1.00 0.34 H new ATOM 0 HA ASN A 86 -16.650 -4.173 -3.940 1.00 0.39 H new ATOM 0 HB2 ASN A 86 -15.524 -2.049 -4.516 1.00 0.53 H new ATOM 0 HB3 ASN A 86 -13.982 -2.713 -4.014 1.00 0.53 H new ATOM 0 HD21 ASN A 86 -15.571 -3.625 -7.692 1.00 0.98 H new ATOM 0 HD22 ASN A 86 -16.499 -2.740 -6.477 1.00 0.98 H new ATOM 1325 N THR A 87 -15.608 -6.369 -3.442 1.00 0.33 N ATOM 1326 CA THR A 87 -15.012 -7.697 -3.330 1.00 0.32 C ATOM 1327 C THR A 87 -14.001 -7.983 -4.444 1.00 0.30 C ATOM 1328 O THR A 87 -13.043 -8.732 -4.245 1.00 0.30 O ATOM 1329 CB THR A 87 -16.113 -8.773 -3.359 1.00 0.38 C ATOM 1330 OG1 THR A 87 -17.377 -8.182 -3.031 1.00 0.65 O ATOM 1331 CG2 THR A 87 -15.811 -9.889 -2.374 1.00 0.57 C ATOM 0 H THR A 87 -16.621 -6.378 -3.558 1.00 0.33 H new ATOM 0 HA THR A 87 -14.478 -7.725 -2.380 1.00 0.32 H new ATOM 0 HB THR A 87 -16.149 -9.195 -4.363 1.00 0.38 H new ATOM 0 HG1 THR A 87 -18.075 -8.870 -3.052 1.00 0.65 H new ATOM 0 HG21 THR A 87 -16.604 -10.635 -2.415 1.00 0.57 H new ATOM 0 HG22 THR A 87 -14.860 -10.355 -2.633 1.00 0.57 H new ATOM 0 HG23 THR A 87 -15.751 -9.478 -1.366 1.00 0.57 H new ATOM 1339 N LYS A 88 -14.207 -7.372 -5.603 1.00 0.33 N ATOM 1340 CA LYS A 88 -13.322 -7.562 -6.749 1.00 0.35 C ATOM 1341 C LYS A 88 -11.877 -7.171 -6.411 1.00 0.30 C ATOM 1342 O LYS A 88 -10.928 -7.803 -6.877 1.00 0.36 O ATOM 1343 CB LYS A 88 -13.832 -6.749 -7.942 1.00 0.42 C ATOM 1344 CG LYS A 88 -12.981 -6.869 -9.200 1.00 0.49 C ATOM 1345 CD LYS A 88 -13.140 -8.224 -9.872 1.00 0.71 C ATOM 1346 CE LYS A 88 -12.234 -8.342 -11.086 1.00 0.89 C ATOM 1347 NZ LYS A 88 -12.599 -9.489 -11.956 1.00 0.82 N ATOM 0 H LYS A 88 -14.985 -6.735 -5.777 1.00 0.33 H new ATOM 0 HA LYS A 88 -13.325 -8.620 -7.010 1.00 0.35 H new ATOM 0 HB2 LYS A 88 -14.848 -7.068 -8.175 1.00 0.42 H new ATOM 0 HB3 LYS A 88 -13.885 -5.699 -7.654 1.00 0.42 H new ATOM 0 HG2 LYS A 88 -13.259 -6.082 -9.901 1.00 0.49 H new ATOM 0 HG3 LYS A 88 -11.933 -6.712 -8.944 1.00 0.49 H new ATOM 0 HD2 LYS A 88 -12.905 -9.016 -9.161 1.00 0.71 H new ATOM 0 HD3 LYS A 88 -14.178 -8.364 -10.174 1.00 0.71 H new ATOM 0 HE2 LYS A 88 -12.285 -7.420 -11.665 1.00 0.89 H new ATOM 0 HE3 LYS A 88 -11.201 -8.454 -10.756 1.00 0.89 H new ATOM 0 HZ1 LYS A 88 -11.952 -9.527 -12.770 1.00 0.82 H new ATOM 0 HZ2 LYS A 88 -12.525 -10.373 -11.414 1.00 0.82 H new ATOM 0 HZ3 LYS A 88 -13.575 -9.371 -12.295 1.00 0.82 H new ATOM 1361 N SER A 89 -11.713 -6.139 -5.597 1.00 0.27 N ATOM 1362 CA SER A 89 -10.383 -5.686 -5.212 1.00 0.27 C ATOM 1363 C SER A 89 -9.813 -6.563 -4.097 1.00 0.25 C ATOM 1364 O SER A 89 -8.611 -6.820 -4.051 1.00 0.32 O ATOM 1365 CB SER A 89 -10.414 -4.214 -4.781 1.00 0.33 C ATOM 1366 OG SER A 89 -11.188 -4.026 -3.605 1.00 0.64 O ATOM 0 H SER A 89 -12.479 -5.601 -5.192 1.00 0.27 H new ATOM 0 HA SER A 89 -9.730 -5.773 -6.081 1.00 0.27 H new ATOM 0 HB2 SER A 89 -9.396 -3.865 -4.606 1.00 0.33 H new ATOM 0 HB3 SER A 89 -10.825 -3.607 -5.588 1.00 0.33 H new ATOM 0 HG SER A 89 -12.021 -4.537 -3.676 1.00 0.64 H new ATOM 1372 N PHE A 90 -10.688 -7.044 -3.220 1.00 0.24 N ATOM 1373 CA PHE A 90 -10.271 -7.893 -2.109 1.00 0.25 C ATOM 1374 C PHE A 90 -9.799 -9.254 -2.613 1.00 0.27 C ATOM 1375 O PHE A 90 -8.787 -9.784 -2.151 1.00 0.28 O ATOM 1376 CB PHE A 90 -11.423 -8.069 -1.118 1.00 0.29 C ATOM 1377 CG PHE A 90 -11.094 -8.981 0.030 1.00 0.29 C ATOM 1378 CD1 PHE A 90 -10.092 -8.648 0.931 1.00 0.26 C ATOM 1379 CD2 PHE A 90 -11.783 -10.169 0.209 1.00 0.38 C ATOM 1380 CE1 PHE A 90 -9.786 -9.482 1.986 1.00 0.31 C ATOM 1381 CE2 PHE A 90 -11.481 -11.008 1.263 1.00 0.42 C ATOM 1382 CZ PHE A 90 -10.481 -10.664 2.153 1.00 0.39 C ATOM 0 H PHE A 90 -11.691 -6.860 -3.257 1.00 0.24 H new ATOM 0 HA PHE A 90 -9.437 -7.407 -1.602 1.00 0.25 H new ATOM 0 HB2 PHE A 90 -11.706 -7.092 -0.726 1.00 0.29 H new ATOM 0 HB3 PHE A 90 -12.290 -8.463 -1.648 1.00 0.29 H new ATOM 0 HD1 PHE A 90 -9.546 -7.725 0.804 1.00 0.26 H new ATOM 0 HD2 PHE A 90 -12.565 -10.442 -0.484 1.00 0.38 H new ATOM 0 HE1 PHE A 90 -9.004 -9.211 2.680 1.00 0.31 H new ATOM 0 HE2 PHE A 90 -12.025 -11.932 1.392 1.00 0.42 H new ATOM 0 HZ PHE A 90 -10.243 -11.319 2.978 1.00 0.39 H new ATOM 1392 N GLU A 91 -10.522 -9.803 -3.576 1.00 0.32 N ATOM 1393 CA GLU A 91 -10.174 -11.098 -4.135 1.00 0.40 C ATOM 1394 C GLU A 91 -8.921 -11.007 -4.994 1.00 0.39 C ATOM 1395 O GLU A 91 -8.267 -12.015 -5.263 1.00 0.49 O ATOM 1396 CB GLU A 91 -11.337 -11.660 -4.950 1.00 0.51 C ATOM 1397 CG GLU A 91 -12.305 -12.474 -4.114 1.00 0.59 C ATOM 1398 CD GLU A 91 -11.680 -13.761 -3.616 1.00 0.75 C ATOM 1399 OE1 GLU A 91 -11.218 -13.803 -2.458 1.00 1.44 O ATOM 1400 OE2 GLU A 91 -11.638 -14.737 -4.391 1.00 1.09 O ATOM 0 H GLU A 91 -11.351 -9.373 -3.986 1.00 0.32 H new ATOM 0 HA GLU A 91 -9.968 -11.775 -3.306 1.00 0.40 H new ATOM 0 HB2 GLU A 91 -11.875 -10.837 -5.421 1.00 0.51 H new ATOM 0 HB3 GLU A 91 -10.944 -12.284 -5.752 1.00 0.51 H new ATOM 0 HG2 GLU A 91 -12.638 -11.880 -3.263 1.00 0.59 H new ATOM 0 HG3 GLU A 91 -13.190 -12.706 -4.707 1.00 0.59 H new ATOM 1407 N ASP A 92 -8.577 -9.800 -5.413 1.00 0.35 N ATOM 1408 CA ASP A 92 -7.395 -9.599 -6.238 1.00 0.37 C ATOM 1409 C ASP A 92 -6.146 -9.545 -5.371 1.00 0.31 C ATOM 1410 O ASP A 92 -5.030 -9.746 -5.855 1.00 0.31 O ATOM 1411 CB ASP A 92 -7.525 -8.328 -7.067 1.00 0.43 C ATOM 1412 CG ASP A 92 -6.990 -8.512 -8.470 1.00 0.53 C ATOM 1413 OD1 ASP A 92 -6.868 -9.677 -8.917 1.00 1.02 O ATOM 1414 OD2 ASP A 92 -6.712 -7.496 -9.142 1.00 0.99 O ATOM 0 H ASP A 92 -9.096 -8.948 -5.197 1.00 0.35 H new ATOM 0 HA ASP A 92 -7.307 -10.443 -6.922 1.00 0.37 H new ATOM 0 HB2 ASP A 92 -8.573 -8.031 -7.114 1.00 0.43 H new ATOM 0 HB3 ASP A 92 -6.986 -7.518 -6.576 1.00 0.43 H new ATOM 1419 N ILE A 93 -6.354 -9.296 -4.076 1.00 0.28 N ATOM 1420 CA ILE A 93 -5.268 -9.225 -3.104 1.00 0.25 C ATOM 1421 C ILE A 93 -4.470 -10.529 -3.084 1.00 0.24 C ATOM 1422 O ILE A 93 -3.261 -10.527 -2.841 1.00 0.25 O ATOM 1423 CB ILE A 93 -5.815 -8.914 -1.688 1.00 0.29 C ATOM 1424 CG1 ILE A 93 -6.386 -7.491 -1.639 1.00 0.32 C ATOM 1425 CG2 ILE A 93 -4.743 -9.092 -0.620 1.00 0.35 C ATOM 1426 CD1 ILE A 93 -5.394 -6.419 -2.040 1.00 0.42 C ATOM 0 H ILE A 93 -7.279 -9.139 -3.675 1.00 0.28 H new ATOM 0 HA ILE A 93 -4.603 -8.415 -3.405 1.00 0.25 H new ATOM 0 HB ILE A 93 -6.613 -9.626 -1.477 1.00 0.29 H new ATOM 0 HG12 ILE A 93 -7.253 -7.435 -2.297 1.00 0.32 H new ATOM 0 HG13 ILE A 93 -6.739 -7.286 -0.628 1.00 0.32 H new ATOM 0 HG21 ILE A 93 -5.164 -8.865 0.359 1.00 0.35 H new ATOM 0 HG22 ILE A 93 -4.385 -10.122 -0.632 1.00 0.35 H new ATOM 0 HG23 ILE A 93 -3.912 -8.417 -0.823 1.00 0.35 H new ATOM 0 HD11 ILE A 93 -5.871 -5.441 -1.980 1.00 0.42 H new ATOM 0 HD12 ILE A 93 -4.537 -6.446 -1.367 1.00 0.42 H new ATOM 0 HD13 ILE A 93 -5.059 -6.597 -3.062 1.00 0.42 H new ATOM 1438 N HIS A 94 -5.152 -11.634 -3.373 1.00 0.26 N ATOM 1439 CA HIS A 94 -4.518 -12.946 -3.401 1.00 0.30 C ATOM 1440 C HIS A 94 -3.448 -12.999 -4.490 1.00 0.30 C ATOM 1441 O HIS A 94 -2.322 -13.430 -4.248 1.00 0.38 O ATOM 1442 CB HIS A 94 -5.554 -14.052 -3.661 1.00 0.35 C ATOM 1443 CG HIS A 94 -6.609 -14.199 -2.603 1.00 0.46 C ATOM 1444 ND1 HIS A 94 -6.588 -15.189 -1.647 1.00 0.73 N ATOM 1445 CD2 HIS A 94 -7.740 -13.487 -2.376 1.00 0.70 C ATOM 1446 CE1 HIS A 94 -7.661 -15.088 -0.885 1.00 0.83 C ATOM 1447 NE2 HIS A 94 -8.373 -14.061 -1.306 1.00 0.79 N ATOM 0 H HIS A 94 -6.148 -11.645 -3.592 1.00 0.26 H new ATOM 0 HA HIS A 94 -4.057 -13.111 -2.427 1.00 0.30 H new ATOM 0 HB2 HIS A 94 -6.043 -13.853 -4.615 1.00 0.35 H new ATOM 0 HB3 HIS A 94 -5.030 -15.002 -3.764 1.00 0.35 H new ATOM 0 HD2 HIS A 94 -8.079 -12.627 -2.935 1.00 0.70 H new ATOM 0 HE1 HIS A 94 -7.913 -15.736 -0.058 1.00 0.83 H new ATOM 0 HE2 HIS A 94 -9.254 -13.745 -0.900 1.00 0.79 H new ATOM 1456 N HIS A 95 -3.808 -12.530 -5.681 1.00 0.27 N ATOM 1457 CA HIS A 95 -2.904 -12.533 -6.828 1.00 0.30 C ATOM 1458 C HIS A 95 -1.723 -11.588 -6.614 1.00 0.26 C ATOM 1459 O HIS A 95 -0.593 -11.908 -6.986 1.00 0.26 O ATOM 1460 CB HIS A 95 -3.671 -12.146 -8.100 1.00 0.37 C ATOM 1461 CG HIS A 95 -2.902 -12.366 -9.372 1.00 0.50 C ATOM 1462 ND1 HIS A 95 -2.874 -13.572 -10.041 1.00 0.72 N ATOM 1463 CD2 HIS A 95 -2.138 -11.518 -10.100 1.00 0.65 C ATOM 1464 CE1 HIS A 95 -2.123 -13.458 -11.122 1.00 0.79 C ATOM 1465 NE2 HIS A 95 -1.668 -12.221 -11.181 1.00 0.72 N ATOM 0 H HIS A 95 -4.729 -12.139 -5.878 1.00 0.27 H new ATOM 0 HA HIS A 95 -2.505 -13.541 -6.940 1.00 0.30 H new ATOM 0 HB2 HIS A 95 -4.596 -12.722 -8.143 1.00 0.37 H new ATOM 0 HB3 HIS A 95 -3.953 -11.095 -8.036 1.00 0.37 H new ATOM 0 HD2 HIS A 95 -1.936 -10.482 -9.873 1.00 0.65 H new ATOM 0 HE1 HIS A 95 -1.917 -14.243 -11.835 1.00 0.79 H new ATOM 0 HE2 HIS A 95 -1.064 -11.847 -11.913 1.00 0.72 H new ATOM 1474 N TYR A 96 -1.986 -10.431 -6.016 1.00 0.29 N ATOM 1475 CA TYR A 96 -0.938 -9.443 -5.763 1.00 0.29 C ATOM 1476 C TYR A 96 0.152 -10.030 -4.871 1.00 0.24 C ATOM 1477 O TYR A 96 1.341 -9.880 -5.152 1.00 0.24 O ATOM 1478 CB TYR A 96 -1.522 -8.187 -5.113 1.00 0.38 C ATOM 1479 CG TYR A 96 -2.333 -7.322 -6.055 1.00 0.47 C ATOM 1480 CD1 TYR A 96 -1.786 -6.838 -7.235 1.00 1.04 C ATOM 1481 CD2 TYR A 96 -3.643 -6.982 -5.756 1.00 0.76 C ATOM 1482 CE1 TYR A 96 -2.524 -6.044 -8.091 1.00 1.17 C ATOM 1483 CE2 TYR A 96 -4.389 -6.191 -6.604 1.00 0.81 C ATOM 1484 CZ TYR A 96 -3.827 -5.724 -7.770 1.00 0.75 C ATOM 1485 OH TYR A 96 -4.572 -4.941 -8.622 1.00 0.91 O ATOM 0 H TYR A 96 -2.914 -10.153 -5.697 1.00 0.29 H new ATOM 0 HA TYR A 96 -0.498 -9.169 -6.722 1.00 0.29 H new ATOM 0 HB2 TYR A 96 -2.154 -8.485 -4.276 1.00 0.38 H new ATOM 0 HB3 TYR A 96 -0.707 -7.592 -4.701 1.00 0.38 H new ATOM 0 HD1 TYR A 96 -0.766 -7.086 -7.488 1.00 1.04 H new ATOM 0 HD2 TYR A 96 -4.088 -7.344 -4.841 1.00 0.76 H new ATOM 0 HE1 TYR A 96 -2.084 -5.676 -9.006 1.00 1.17 H new ATOM 0 HE2 TYR A 96 -5.409 -5.939 -6.354 1.00 0.81 H new ATOM 0 HH TYR A 96 -5.468 -4.811 -8.247 1.00 0.91 H new ATOM 1495 N ARG A 97 -0.267 -10.710 -3.804 1.00 0.25 N ATOM 1496 CA ARG A 97 0.664 -11.336 -2.867 1.00 0.25 C ATOM 1497 C ARG A 97 1.553 -12.341 -3.596 1.00 0.22 C ATOM 1498 O ARG A 97 2.778 -12.312 -3.462 1.00 0.29 O ATOM 1499 CB ARG A 97 -0.108 -12.026 -1.736 1.00 0.32 C ATOM 1500 CG ARG A 97 0.742 -12.926 -0.845 1.00 0.36 C ATOM 1501 CD ARG A 97 1.679 -12.132 0.058 1.00 0.39 C ATOM 1502 NE ARG A 97 2.246 -12.974 1.109 1.00 0.45 N ATOM 1503 CZ ARG A 97 2.964 -12.522 2.133 1.00 0.48 C ATOM 1504 NH1 ARG A 97 3.221 -11.223 2.259 1.00 0.48 N ATOM 1505 NH2 ARG A 97 3.424 -13.376 3.034 1.00 0.60 N ATOM 0 H ARG A 97 -1.250 -10.841 -3.567 1.00 0.25 H new ATOM 0 HA ARG A 97 1.299 -10.563 -2.434 1.00 0.25 H new ATOM 0 HB2 ARG A 97 -0.578 -11.263 -1.116 1.00 0.32 H new ATOM 0 HB3 ARG A 97 -0.910 -12.621 -2.172 1.00 0.32 H new ATOM 0 HG2 ARG A 97 0.089 -13.546 -0.231 1.00 0.36 H new ATOM 0 HG3 ARG A 97 1.328 -13.601 -1.469 1.00 0.36 H new ATOM 0 HD2 ARG A 97 2.483 -11.701 -0.538 1.00 0.39 H new ATOM 0 HD3 ARG A 97 1.136 -11.301 0.508 1.00 0.39 H new ATOM 0 HE ARG A 97 2.079 -13.979 1.053 1.00 0.45 H new ATOM 0 HH11 ARG A 97 2.866 -10.563 1.566 1.00 0.48 H new ATOM 0 HH12 ARG A 97 3.773 -10.886 3.048 1.00 0.48 H new ATOM 0 HH21 ARG A 97 3.227 -14.372 2.940 1.00 0.60 H new ATOM 0 HH22 ARG A 97 3.976 -13.038 3.822 1.00 0.60 H new ATOM 1519 N GLU A 98 0.923 -13.214 -4.373 1.00 0.22 N ATOM 1520 CA GLU A 98 1.636 -14.229 -5.138 1.00 0.24 C ATOM 1521 C GLU A 98 2.602 -13.584 -6.133 1.00 0.23 C ATOM 1522 O GLU A 98 3.724 -14.054 -6.313 1.00 0.26 O ATOM 1523 CB GLU A 98 0.628 -15.126 -5.869 1.00 0.30 C ATOM 1524 CG GLU A 98 1.266 -16.207 -6.727 1.00 0.46 C ATOM 1525 CD GLU A 98 0.246 -17.157 -7.323 1.00 0.94 C ATOM 1526 OE1 GLU A 98 -0.418 -16.780 -8.313 1.00 1.21 O ATOM 1527 OE2 GLU A 98 0.100 -18.284 -6.803 1.00 1.35 O ATOM 0 H GLU A 98 -0.090 -13.238 -4.490 1.00 0.22 H new ATOM 0 HA GLU A 98 2.223 -14.838 -4.451 1.00 0.24 H new ATOM 0 HB2 GLU A 98 -0.022 -15.598 -5.133 1.00 0.30 H new ATOM 0 HB3 GLU A 98 -0.005 -14.503 -6.500 1.00 0.30 H new ATOM 0 HG2 GLU A 98 1.834 -15.739 -7.531 1.00 0.46 H new ATOM 0 HG3 GLU A 98 1.975 -16.773 -6.123 1.00 0.46 H new ATOM 1534 N GLN A 99 2.174 -12.490 -6.752 1.00 0.23 N ATOM 1535 CA GLN A 99 3.002 -11.795 -7.725 1.00 0.25 C ATOM 1536 C GLN A 99 4.279 -11.271 -7.077 1.00 0.24 C ATOM 1537 O GLN A 99 5.379 -11.564 -7.537 1.00 0.26 O ATOM 1538 CB GLN A 99 2.226 -10.638 -8.353 1.00 0.30 C ATOM 1539 CG GLN A 99 2.775 -10.197 -9.704 1.00 0.33 C ATOM 1540 CD GLN A 99 2.443 -11.167 -10.825 1.00 0.63 C ATOM 1541 OE1 GLN A 99 1.401 -11.821 -10.814 1.00 1.15 O ATOM 1542 NE2 GLN A 99 3.332 -11.276 -11.800 1.00 1.08 N ATOM 0 H GLN A 99 1.259 -12.067 -6.596 1.00 0.23 H new ATOM 0 HA GLN A 99 3.276 -12.506 -8.505 1.00 0.25 H new ATOM 0 HB2 GLN A 99 1.184 -10.933 -8.473 1.00 0.30 H new ATOM 0 HB3 GLN A 99 2.240 -9.789 -7.670 1.00 0.30 H new ATOM 0 HG2 GLN A 99 2.373 -9.214 -9.950 1.00 0.33 H new ATOM 0 HG3 GLN A 99 3.857 -10.090 -9.633 1.00 0.33 H new ATOM 0 HE21 GLN A 99 4.185 -10.718 -11.777 1.00 1.08 H new ATOM 0 HE22 GLN A 99 3.163 -11.918 -12.574 1.00 1.08 H new ATOM 1551 N ILE A 100 4.127 -10.521 -5.989 1.00 0.24 N ATOM 1552 CA ILE A 100 5.270 -9.946 -5.283 1.00 0.26 C ATOM 1553 C ILE A 100 6.221 -11.037 -4.802 1.00 0.24 C ATOM 1554 O ILE A 100 7.440 -10.911 -4.930 1.00 0.24 O ATOM 1555 CB ILE A 100 4.827 -9.085 -4.076 1.00 0.32 C ATOM 1556 CG1 ILE A 100 3.866 -7.986 -4.539 1.00 0.39 C ATOM 1557 CG2 ILE A 100 6.038 -8.476 -3.373 1.00 0.34 C ATOM 1558 CD1 ILE A 100 3.216 -7.232 -3.403 1.00 0.51 C ATOM 0 H ILE A 100 3.222 -10.296 -5.576 1.00 0.24 H new ATOM 0 HA ILE A 100 5.788 -9.303 -5.995 1.00 0.26 H new ATOM 0 HB ILE A 100 4.309 -9.727 -3.363 1.00 0.32 H new ATOM 0 HG12 ILE A 100 4.410 -7.281 -5.168 1.00 0.39 H new ATOM 0 HG13 ILE A 100 3.089 -8.432 -5.159 1.00 0.39 H new ATOM 0 HG21 ILE A 100 5.704 -7.875 -2.528 1.00 0.34 H new ATOM 0 HG22 ILE A 100 6.690 -9.273 -3.016 1.00 0.34 H new ATOM 0 HG23 ILE A 100 6.586 -7.845 -4.073 1.00 0.34 H new ATOM 0 HD11 ILE A 100 2.549 -6.470 -3.807 1.00 0.51 H new ATOM 0 HD12 ILE A 100 2.644 -7.925 -2.786 1.00 0.51 H new ATOM 0 HD13 ILE A 100 3.985 -6.756 -2.795 1.00 0.51 H new ATOM 1570 N LYS A 101 5.660 -12.124 -4.277 1.00 0.25 N ATOM 1571 CA LYS A 101 6.461 -13.236 -3.776 1.00 0.27 C ATOM 1572 C LYS A 101 7.220 -13.935 -4.902 1.00 0.23 C ATOM 1573 O LYS A 101 8.262 -14.547 -4.669 1.00 0.27 O ATOM 1574 CB LYS A 101 5.573 -14.241 -3.051 1.00 0.34 C ATOM 1575 CG LYS A 101 5.048 -13.737 -1.716 1.00 0.78 C ATOM 1576 CD LYS A 101 4.487 -14.874 -0.873 1.00 0.76 C ATOM 1577 CE LYS A 101 5.594 -15.736 -0.285 1.00 0.97 C ATOM 1578 NZ LYS A 101 5.071 -16.980 0.339 1.00 1.05 N ATOM 0 H LYS A 101 4.653 -12.258 -4.188 1.00 0.25 H new ATOM 0 HA LYS A 101 7.192 -12.827 -3.079 1.00 0.27 H new ATOM 0 HB2 LYS A 101 4.728 -14.495 -3.691 1.00 0.34 H new ATOM 0 HB3 LYS A 101 6.137 -15.159 -2.887 1.00 0.34 H new ATOM 0 HG2 LYS A 101 5.851 -13.241 -1.172 1.00 0.78 H new ATOM 0 HG3 LYS A 101 4.271 -12.992 -1.887 1.00 0.78 H new ATOM 0 HD2 LYS A 101 3.878 -14.464 -0.067 1.00 0.76 H new ATOM 0 HD3 LYS A 101 3.831 -15.492 -1.486 1.00 0.76 H new ATOM 0 HE2 LYS A 101 6.304 -15.997 -1.070 1.00 0.97 H new ATOM 0 HE3 LYS A 101 6.142 -15.161 0.461 1.00 0.97 H new ATOM 0 HZ1 LYS A 101 5.863 -17.618 0.557 1.00 1.05 H new ATOM 0 HZ2 LYS A 101 4.566 -16.742 1.216 1.00 1.05 H new ATOM 0 HZ3 LYS A 101 4.418 -17.451 -0.320 1.00 1.05 H new ATOM 1592 N ARG A 102 6.697 -13.851 -6.116 1.00 0.22 N ATOM 1593 CA ARG A 102 7.344 -14.474 -7.264 1.00 0.23 C ATOM 1594 C ARG A 102 8.373 -13.530 -7.876 1.00 0.21 C ATOM 1595 O ARG A 102 9.427 -13.959 -8.345 1.00 0.26 O ATOM 1596 CB ARG A 102 6.314 -14.878 -8.317 1.00 0.29 C ATOM 1597 CG ARG A 102 5.534 -16.132 -7.956 1.00 0.35 C ATOM 1598 CD ARG A 102 4.637 -16.578 -9.098 1.00 0.44 C ATOM 1599 NE ARG A 102 4.009 -17.870 -8.834 1.00 0.58 N ATOM 1600 CZ ARG A 102 2.950 -18.332 -9.498 1.00 0.75 C ATOM 1601 NH1 ARG A 102 2.396 -17.605 -10.464 1.00 0.89 N ATOM 1602 NH2 ARG A 102 2.443 -19.517 -9.188 1.00 0.91 N ATOM 0 H ARG A 102 5.830 -13.360 -6.333 1.00 0.22 H new ATOM 0 HA ARG A 102 7.853 -15.373 -6.916 1.00 0.23 H new ATOM 0 HB2 ARG A 102 5.615 -14.055 -8.464 1.00 0.29 H new ATOM 0 HB3 ARG A 102 6.822 -15.038 -9.268 1.00 0.29 H new ATOM 0 HG2 ARG A 102 6.228 -16.933 -7.703 1.00 0.35 H new ATOM 0 HG3 ARG A 102 4.929 -15.943 -7.069 1.00 0.35 H new ATOM 0 HD2 ARG A 102 3.864 -15.828 -9.265 1.00 0.44 H new ATOM 0 HD3 ARG A 102 5.223 -16.641 -10.015 1.00 0.44 H new ATOM 0 HE ARG A 102 4.405 -18.454 -8.097 1.00 0.58 H new ATOM 0 HH11 ARG A 102 2.782 -16.690 -10.699 1.00 0.89 H new ATOM 0 HH12 ARG A 102 1.586 -17.962 -10.970 1.00 0.89 H new ATOM 0 HH21 ARG A 102 2.863 -20.073 -8.443 1.00 0.91 H new ATOM 0 HH22 ARG A 102 1.632 -19.873 -9.694 1.00 0.91 H new ATOM 1616 N VAL A 103 8.057 -12.243 -7.860 1.00 0.21 N ATOM 1617 CA VAL A 103 8.942 -11.222 -8.406 1.00 0.23 C ATOM 1618 C VAL A 103 10.187 -11.041 -7.535 1.00 0.19 C ATOM 1619 O VAL A 103 11.307 -11.000 -8.043 1.00 0.21 O ATOM 1620 CB VAL A 103 8.203 -9.873 -8.559 1.00 0.27 C ATOM 1621 CG1 VAL A 103 9.164 -8.752 -8.921 1.00 0.35 C ATOM 1622 CG2 VAL A 103 7.103 -9.994 -9.605 1.00 0.35 C ATOM 0 H VAL A 103 7.187 -11.878 -7.472 1.00 0.21 H new ATOM 0 HA VAL A 103 9.259 -11.561 -9.392 1.00 0.23 H new ATOM 0 HB VAL A 103 7.752 -9.623 -7.599 1.00 0.27 H new ATOM 0 HG11 VAL A 103 8.612 -7.818 -9.021 1.00 0.35 H new ATOM 0 HG12 VAL A 103 9.914 -8.648 -8.137 1.00 0.35 H new ATOM 0 HG13 VAL A 103 9.656 -8.985 -9.865 1.00 0.35 H new ATOM 0 HG21 VAL A 103 6.589 -9.038 -9.705 1.00 0.35 H new ATOM 0 HG22 VAL A 103 7.541 -10.272 -10.563 1.00 0.35 H new ATOM 0 HG23 VAL A 103 6.390 -10.759 -9.297 1.00 0.35 H new ATOM 1632 N LYS A 104 9.990 -10.937 -6.224 1.00 0.17 N ATOM 1633 CA LYS A 104 11.111 -10.766 -5.299 1.00 0.16 C ATOM 1634 C LYS A 104 11.680 -12.118 -4.885 1.00 0.18 C ATOM 1635 O LYS A 104 12.813 -12.206 -4.404 1.00 0.28 O ATOM 1636 CB LYS A 104 10.671 -9.987 -4.060 1.00 0.18 C ATOM 1637 CG LYS A 104 10.564 -8.487 -4.291 1.00 0.26 C ATOM 1638 CD LYS A 104 9.846 -7.788 -3.143 1.00 0.32 C ATOM 1639 CE LYS A 104 10.697 -7.734 -1.883 1.00 0.51 C ATOM 1640 NZ LYS A 104 11.776 -6.715 -1.982 1.00 0.63 N ATOM 0 H LYS A 104 9.073 -10.968 -5.779 1.00 0.17 H new ATOM 0 HA LYS A 104 11.889 -10.201 -5.813 1.00 0.16 H new ATOM 0 HB2 LYS A 104 9.704 -10.365 -3.728 1.00 0.18 H new ATOM 0 HB3 LYS A 104 11.380 -10.172 -3.253 1.00 0.18 H new ATOM 0 HG2 LYS A 104 11.562 -8.065 -4.406 1.00 0.26 H new ATOM 0 HG3 LYS A 104 10.029 -8.300 -5.222 1.00 0.26 H new ATOM 0 HD2 LYS A 104 9.582 -6.775 -3.445 1.00 0.32 H new ATOM 0 HD3 LYS A 104 8.914 -8.310 -2.928 1.00 0.32 H new ATOM 0 HE2 LYS A 104 10.062 -7.508 -1.026 1.00 0.51 H new ATOM 0 HE3 LYS A 104 11.139 -8.714 -1.702 1.00 0.51 H new ATOM 0 HZ1 LYS A 104 12.373 -6.758 -1.132 1.00 0.63 H new ATOM 0 HZ2 LYS A 104 12.357 -6.906 -2.823 1.00 0.63 H new ATOM 0 HZ3 LYS A 104 11.353 -5.768 -2.061 1.00 0.63 H new ATOM 1654 N ASP A 105 10.876 -13.161 -5.089 1.00 0.17 N ATOM 1655 CA ASP A 105 11.244 -14.535 -4.747 1.00 0.21 C ATOM 1656 C ASP A 105 11.659 -14.643 -3.283 1.00 0.23 C ATOM 1657 O ASP A 105 12.746 -15.115 -2.959 1.00 0.28 O ATOM 1658 CB ASP A 105 12.361 -15.056 -5.659 1.00 0.24 C ATOM 1659 CG ASP A 105 12.485 -16.566 -5.609 1.00 0.34 C ATOM 1660 OD1 ASP A 105 11.515 -17.255 -5.988 1.00 0.43 O ATOM 1661 OD2 ASP A 105 13.551 -17.069 -5.195 1.00 0.47 O ATOM 0 H ASP A 105 9.946 -13.076 -5.499 1.00 0.17 H new ATOM 0 HA ASP A 105 10.362 -15.157 -4.901 1.00 0.21 H new ATOM 0 HB2 ASP A 105 12.166 -14.743 -6.685 1.00 0.24 H new ATOM 0 HB3 ASP A 105 13.309 -14.606 -5.363 1.00 0.24 H new ATOM 1666 N SER A 106 10.785 -14.193 -2.399 1.00 0.28 N ATOM 1667 CA SER A 106 11.053 -14.240 -0.974 1.00 0.33 C ATOM 1668 C SER A 106 9.804 -14.697 -0.226 1.00 0.36 C ATOM 1669 O SER A 106 8.682 -14.411 -0.645 1.00 0.56 O ATOM 1670 CB SER A 106 11.502 -12.864 -0.473 1.00 0.36 C ATOM 1671 OG SER A 106 12.501 -12.315 -1.321 1.00 1.14 O ATOM 0 H SER A 106 9.881 -13.790 -2.645 1.00 0.28 H new ATOM 0 HA SER A 106 11.856 -14.954 -0.788 1.00 0.33 H new ATOM 0 HB2 SER A 106 10.646 -12.191 -0.431 1.00 0.36 H new ATOM 0 HB3 SER A 106 11.889 -12.951 0.542 1.00 0.36 H new ATOM 0 HG SER A 106 12.771 -11.436 -0.982 1.00 1.14 H new ATOM 1677 N GLU A 107 10.004 -15.419 0.862 1.00 0.42 N ATOM 1678 CA GLU A 107 8.896 -15.915 1.664 1.00 0.54 C ATOM 1679 C GLU A 107 8.391 -14.817 2.593 1.00 0.42 C ATOM 1680 O GLU A 107 7.186 -14.620 2.745 1.00 0.54 O ATOM 1681 CB GLU A 107 9.331 -17.137 2.475 1.00 0.74 C ATOM 1682 CG GLU A 107 8.429 -18.346 2.290 1.00 1.11 C ATOM 1683 CD GLU A 107 8.316 -18.768 0.840 1.00 1.17 C ATOM 1684 OE1 GLU A 107 7.349 -18.348 0.173 1.00 1.74 O ATOM 1685 OE2 GLU A 107 9.196 -19.517 0.360 1.00 1.46 O ATOM 0 H GLU A 107 10.926 -15.677 1.213 1.00 0.42 H new ATOM 0 HA GLU A 107 8.086 -16.212 0.997 1.00 0.54 H new ATOM 0 HB2 GLU A 107 10.348 -17.407 2.191 1.00 0.74 H new ATOM 0 HB3 GLU A 107 9.355 -16.871 3.532 1.00 0.74 H new ATOM 0 HG2 GLU A 107 8.817 -19.178 2.878 1.00 1.11 H new ATOM 0 HG3 GLU A 107 7.436 -18.117 2.677 1.00 1.11 H new ATOM 1692 N ASP A 108 9.324 -14.098 3.198 1.00 0.35 N ATOM 1693 CA ASP A 108 8.984 -13.015 4.110 1.00 0.37 C ATOM 1694 C ASP A 108 8.949 -11.688 3.366 1.00 0.29 C ATOM 1695 O ASP A 108 9.988 -11.153 2.981 1.00 0.39 O ATOM 1696 CB ASP A 108 9.995 -12.941 5.257 1.00 0.54 C ATOM 1697 CG ASP A 108 9.661 -11.851 6.265 1.00 0.65 C ATOM 1698 OD1 ASP A 108 8.841 -12.103 7.175 1.00 0.77 O ATOM 1699 OD2 ASP A 108 10.235 -10.745 6.171 1.00 0.78 O ATOM 0 H ASP A 108 10.326 -14.245 3.074 1.00 0.35 H new ATOM 0 HA ASP A 108 7.996 -13.215 4.525 1.00 0.37 H new ATOM 0 HB2 ASP A 108 10.030 -13.904 5.767 1.00 0.54 H new ATOM 0 HB3 ASP A 108 10.989 -12.760 4.848 1.00 0.54 H new ATOM 1704 N VAL A 109 7.752 -11.171 3.143 1.00 0.25 N ATOM 1705 CA VAL A 109 7.589 -9.906 2.449 1.00 0.21 C ATOM 1706 C VAL A 109 6.846 -8.918 3.338 1.00 0.18 C ATOM 1707 O VAL A 109 5.717 -9.183 3.758 1.00 0.25 O ATOM 1708 CB VAL A 109 6.834 -10.071 1.109 1.00 0.27 C ATOM 1709 CG1 VAL A 109 6.860 -8.771 0.317 1.00 0.31 C ATOM 1710 CG2 VAL A 109 7.428 -11.212 0.290 1.00 0.47 C ATOM 0 H VAL A 109 6.878 -11.609 3.433 1.00 0.25 H new ATOM 0 HA VAL A 109 8.586 -9.526 2.223 1.00 0.21 H new ATOM 0 HB VAL A 109 5.796 -10.317 1.331 1.00 0.27 H new ATOM 0 HG11 VAL A 109 6.324 -8.906 -0.622 1.00 0.31 H new ATOM 0 HG12 VAL A 109 6.382 -7.982 0.897 1.00 0.31 H new ATOM 0 HG13 VAL A 109 7.893 -8.493 0.108 1.00 0.31 H new ATOM 0 HG21 VAL A 109 6.881 -11.310 -0.648 1.00 0.47 H new ATOM 0 HG22 VAL A 109 8.476 -11.001 0.079 1.00 0.47 H new ATOM 0 HG23 VAL A 109 7.352 -12.142 0.853 1.00 0.47 H new ATOM 1720 N PRO A 110 7.479 -7.785 3.671 1.00 0.15 N ATOM 1721 CA PRO A 110 6.857 -6.758 4.506 1.00 0.15 C ATOM 1722 C PRO A 110 5.671 -6.117 3.801 1.00 0.14 C ATOM 1723 O PRO A 110 5.839 -5.307 2.886 1.00 0.17 O ATOM 1724 CB PRO A 110 7.971 -5.728 4.722 1.00 0.18 C ATOM 1725 CG PRO A 110 9.233 -6.396 4.295 1.00 0.25 C ATOM 1726 CD PRO A 110 8.844 -7.418 3.266 1.00 0.23 C ATOM 0 HA PRO A 110 6.468 -7.166 5.439 1.00 0.15 H new ATOM 0 HB2 PRO A 110 7.789 -4.827 4.137 1.00 0.18 H new ATOM 0 HB3 PRO A 110 8.024 -5.424 5.767 1.00 0.18 H new ATOM 0 HG2 PRO A 110 9.934 -5.672 3.878 1.00 0.25 H new ATOM 0 HG3 PRO A 110 9.729 -6.868 5.143 1.00 0.25 H new ATOM 0 HD2 PRO A 110 8.870 -7.006 2.257 1.00 0.23 H new ATOM 0 HD3 PRO A 110 9.514 -8.278 3.276 1.00 0.23 H new ATOM 1734 N MET A 111 4.472 -6.500 4.209 1.00 0.13 N ATOM 1735 CA MET A 111 3.257 -5.981 3.606 1.00 0.14 C ATOM 1736 C MET A 111 2.222 -5.677 4.677 1.00 0.15 C ATOM 1737 O MET A 111 2.222 -6.296 5.737 1.00 0.17 O ATOM 1738 CB MET A 111 2.685 -6.998 2.611 1.00 0.17 C ATOM 1739 CG MET A 111 3.585 -7.260 1.418 1.00 0.24 C ATOM 1740 SD MET A 111 3.118 -8.734 0.484 1.00 0.34 S ATOM 1741 CE MET A 111 1.657 -8.150 -0.371 1.00 0.79 C ATOM 0 H MET A 111 4.315 -7.172 4.960 1.00 0.13 H new ATOM 0 HA MET A 111 3.501 -5.060 3.077 1.00 0.14 H new ATOM 0 HB2 MET A 111 2.504 -7.939 3.131 1.00 0.17 H new ATOM 0 HB3 MET A 111 1.719 -6.640 2.254 1.00 0.17 H new ATOM 0 HG2 MET A 111 3.560 -6.395 0.755 1.00 0.24 H new ATOM 0 HG3 MET A 111 4.613 -7.367 1.763 1.00 0.24 H new ATOM 0 HE1 MET A 111 1.579 -8.646 -1.339 1.00 0.79 H new ATOM 0 HE2 MET A 111 0.772 -8.376 0.225 1.00 0.79 H new ATOM 0 HE3 MET A 111 1.729 -7.073 -0.520 1.00 0.79 H new ATOM 1751 N VAL A 112 1.362 -4.714 4.405 1.00 0.16 N ATOM 1752 CA VAL A 112 0.311 -4.338 5.340 1.00 0.16 C ATOM 1753 C VAL A 112 -1.025 -4.307 4.616 1.00 0.17 C ATOM 1754 O VAL A 112 -1.180 -3.592 3.626 1.00 0.17 O ATOM 1755 CB VAL A 112 0.582 -2.960 5.989 1.00 0.17 C ATOM 1756 CG1 VAL A 112 -0.641 -2.466 6.750 1.00 0.22 C ATOM 1757 CG2 VAL A 112 1.780 -3.030 6.922 1.00 0.21 C ATOM 0 H VAL A 112 1.369 -4.173 3.540 1.00 0.16 H new ATOM 0 HA VAL A 112 0.291 -5.082 6.136 1.00 0.16 H new ATOM 0 HB VAL A 112 0.801 -2.254 5.188 1.00 0.17 H new ATOM 0 HG11 VAL A 112 -0.424 -1.496 7.197 1.00 0.22 H new ATOM 0 HG12 VAL A 112 -1.482 -2.370 6.064 1.00 0.22 H new ATOM 0 HG13 VAL A 112 -0.893 -3.179 7.535 1.00 0.22 H new ATOM 0 HG21 VAL A 112 1.952 -2.050 7.367 1.00 0.21 H new ATOM 0 HG22 VAL A 112 1.585 -3.757 7.710 1.00 0.21 H new ATOM 0 HG23 VAL A 112 2.663 -3.333 6.359 1.00 0.21 H new ATOM 1767 N LEU A 113 -1.976 -5.100 5.091 1.00 0.18 N ATOM 1768 CA LEU A 113 -3.295 -5.150 4.481 1.00 0.19 C ATOM 1769 C LEU A 113 -4.087 -3.924 4.895 1.00 0.20 C ATOM 1770 O LEU A 113 -4.353 -3.712 6.079 1.00 0.23 O ATOM 1771 CB LEU A 113 -4.017 -6.438 4.881 1.00 0.23 C ATOM 1772 CG LEU A 113 -5.300 -6.740 4.100 1.00 0.23 C ATOM 1773 CD1 LEU A 113 -4.998 -6.964 2.627 1.00 0.26 C ATOM 1774 CD2 LEU A 113 -6.010 -7.949 4.680 1.00 0.29 C ATOM 0 H LEU A 113 -1.858 -5.716 5.895 1.00 0.18 H new ATOM 0 HA LEU A 113 -3.196 -5.151 3.395 1.00 0.19 H new ATOM 0 HB2 LEU A 113 -3.329 -7.274 4.755 1.00 0.23 H new ATOM 0 HB3 LEU A 113 -4.262 -6.383 5.942 1.00 0.23 H new ATOM 0 HG LEU A 113 -5.958 -5.875 4.189 1.00 0.23 H new ATOM 0 HD11 LEU A 113 -5.925 -7.177 2.094 1.00 0.26 H new ATOM 0 HD12 LEU A 113 -4.537 -6.069 2.210 1.00 0.26 H new ATOM 0 HD13 LEU A 113 -4.316 -7.807 2.520 1.00 0.26 H new ATOM 0 HD21 LEU A 113 -6.918 -8.146 4.110 1.00 0.29 H new ATOM 0 HD22 LEU A 113 -5.353 -8.817 4.626 1.00 0.29 H new ATOM 0 HD23 LEU A 113 -6.269 -7.754 5.721 1.00 0.29 H new ATOM 1786 N VAL A 114 -4.450 -3.114 3.920 1.00 0.23 N ATOM 1787 CA VAL A 114 -5.178 -1.888 4.182 1.00 0.28 C ATOM 1788 C VAL A 114 -6.559 -1.889 3.527 1.00 0.24 C ATOM 1789 O VAL A 114 -6.678 -1.911 2.302 1.00 0.30 O ATOM 1790 CB VAL A 114 -4.379 -0.665 3.675 1.00 0.38 C ATOM 1791 CG1 VAL A 114 -5.229 0.598 3.693 1.00 0.82 C ATOM 1792 CG2 VAL A 114 -3.121 -0.470 4.503 1.00 0.59 C ATOM 0 H VAL A 114 -4.251 -3.284 2.934 1.00 0.23 H new ATOM 0 HA VAL A 114 -5.311 -1.824 5.262 1.00 0.28 H new ATOM 0 HB VAL A 114 -4.091 -0.860 2.642 1.00 0.38 H new ATOM 0 HG11 VAL A 114 -4.638 1.439 3.331 1.00 0.82 H new ATOM 0 HG12 VAL A 114 -6.098 0.461 3.049 1.00 0.82 H new ATOM 0 HG13 VAL A 114 -5.560 0.799 4.712 1.00 0.82 H new ATOM 0 HG21 VAL A 114 -2.572 0.395 4.132 1.00 0.59 H new ATOM 0 HG22 VAL A 114 -3.393 -0.307 5.546 1.00 0.59 H new ATOM 0 HG23 VAL A 114 -2.494 -1.358 4.427 1.00 0.59 H new ATOM 1802 N GLY A 115 -7.594 -1.871 4.354 1.00 0.20 N ATOM 1803 CA GLY A 115 -8.954 -1.827 3.850 1.00 0.19 C ATOM 1804 C GLY A 115 -9.458 -0.399 3.840 1.00 0.19 C ATOM 1805 O GLY A 115 -9.898 0.111 4.867 1.00 0.27 O ATOM 0 H GLY A 115 -7.517 -1.886 5.371 1.00 0.20 H new ATOM 0 HA2 GLY A 115 -8.990 -2.241 2.842 1.00 0.19 H new ATOM 0 HA3 GLY A 115 -9.601 -2.445 4.472 1.00 0.19 H new ATOM 1809 N ASN A 116 -9.361 0.256 2.691 1.00 0.16 N ATOM 1810 CA ASN A 116 -9.775 1.652 2.557 1.00 0.15 C ATOM 1811 C ASN A 116 -11.284 1.780 2.381 1.00 0.16 C ATOM 1812 O ASN A 116 -11.966 0.800 2.067 1.00 0.16 O ATOM 1813 CB ASN A 116 -9.037 2.301 1.376 1.00 0.16 C ATOM 1814 CG ASN A 116 -9.197 3.813 1.335 1.00 0.17 C ATOM 1815 OD1 ASN A 116 -9.360 4.461 2.367 1.00 0.19 O ATOM 1816 ND2 ASN A 116 -9.147 4.384 0.143 1.00 0.21 N ATOM 0 H ASN A 116 -8.998 -0.157 1.832 1.00 0.16 H new ATOM 0 HA ASN A 116 -9.512 2.173 3.478 1.00 0.15 H new ATOM 0 HB2 ASN A 116 -7.977 2.055 1.437 1.00 0.16 H new ATOM 0 HB3 ASN A 116 -9.410 1.876 0.444 1.00 0.16 H new ATOM 0 HD21 ASN A 116 -9.245 5.396 0.058 1.00 0.21 H new ATOM 0 HD22 ASN A 116 -9.010 3.813 -0.691 1.00 0.21 H new ATOM 1823 N LYS A 117 -11.786 2.997 2.609 1.00 0.18 N ATOM 1824 CA LYS A 117 -13.205 3.319 2.477 1.00 0.21 C ATOM 1825 C LYS A 117 -14.028 2.692 3.599 1.00 0.23 C ATOM 1826 O LYS A 117 -15.132 2.196 3.371 1.00 0.26 O ATOM 1827 CB LYS A 117 -13.737 2.885 1.105 1.00 0.21 C ATOM 1828 CG LYS A 117 -13.056 3.600 -0.055 1.00 0.25 C ATOM 1829 CD LYS A 117 -13.555 3.098 -1.397 1.00 0.31 C ATOM 1830 CE LYS A 117 -12.439 3.050 -2.427 1.00 0.42 C ATOM 1831 NZ LYS A 117 -12.939 2.607 -3.756 1.00 0.54 N ATOM 0 H LYS A 117 -11.212 3.791 2.893 1.00 0.18 H new ATOM 0 HA LYS A 117 -13.306 4.401 2.558 1.00 0.21 H new ATOM 0 HB2 LYS A 117 -13.599 1.810 0.992 1.00 0.21 H new ATOM 0 HB3 LYS A 117 -14.809 3.075 1.061 1.00 0.21 H new ATOM 0 HG2 LYS A 117 -13.237 4.672 0.022 1.00 0.25 H new ATOM 0 HG3 LYS A 117 -11.978 3.453 0.010 1.00 0.25 H new ATOM 0 HD2 LYS A 117 -13.983 2.103 -1.277 1.00 0.31 H new ATOM 0 HD3 LYS A 117 -14.354 3.748 -1.755 1.00 0.31 H new ATOM 0 HE2 LYS A 117 -11.985 4.037 -2.519 1.00 0.42 H new ATOM 0 HE3 LYS A 117 -11.658 2.370 -2.086 1.00 0.42 H new ATOM 0 HZ1 LYS A 117 -12.215 2.794 -4.479 1.00 0.54 H new ATOM 0 HZ2 LYS A 117 -13.145 1.588 -3.727 1.00 0.54 H new ATOM 0 HZ3 LYS A 117 -13.807 3.129 -3.992 1.00 0.54 H new ATOM 1845 N CYS A 118 -13.497 2.736 4.818 1.00 0.27 N ATOM 1846 CA CYS A 118 -14.198 2.178 5.970 1.00 0.33 C ATOM 1847 C CYS A 118 -15.350 3.082 6.416 1.00 0.38 C ATOM 1848 O CYS A 118 -16.271 2.641 7.105 1.00 0.46 O ATOM 1849 CB CYS A 118 -13.220 1.957 7.131 1.00 0.36 C ATOM 1850 SG CYS A 118 -12.449 3.471 7.756 1.00 0.41 S ATOM 0 H CYS A 118 -12.590 3.149 5.033 1.00 0.27 H new ATOM 0 HA CYS A 118 -14.621 1.219 5.671 1.00 0.33 H new ATOM 0 HB2 CYS A 118 -13.750 1.469 7.949 1.00 0.36 H new ATOM 0 HB3 CYS A 118 -12.437 1.272 6.805 1.00 0.36 H new ATOM 0 HG CYS A 118 -11.644 3.177 8.734 1.00 0.41 H new ATOM 1856 N ASP A 119 -15.301 4.341 6.007 1.00 0.38 N ATOM 1857 CA ASP A 119 -16.332 5.304 6.373 1.00 0.45 C ATOM 1858 C ASP A 119 -17.468 5.303 5.356 1.00 0.46 C ATOM 1859 O ASP A 119 -18.508 5.931 5.566 1.00 0.54 O ATOM 1860 CB ASP A 119 -15.728 6.708 6.483 1.00 0.52 C ATOM 1861 CG ASP A 119 -15.590 7.397 5.138 1.00 0.54 C ATOM 1862 OD1 ASP A 119 -14.641 7.064 4.391 1.00 0.44 O ATOM 1863 OD2 ASP A 119 -16.430 8.274 4.830 1.00 0.70 O ATOM 0 H ASP A 119 -14.558 4.721 5.421 1.00 0.38 H new ATOM 0 HA ASP A 119 -16.740 5.013 7.341 1.00 0.45 H new ATOM 0 HB2 ASP A 119 -16.353 7.317 7.135 1.00 0.52 H new ATOM 0 HB3 ASP A 119 -14.747 6.641 6.954 1.00 0.52 H new ATOM 1868 N LEU A 120 -17.276 4.579 4.264 1.00 0.42 N ATOM 1869 CA LEU A 120 -18.283 4.505 3.217 1.00 0.45 C ATOM 1870 C LEU A 120 -19.224 3.325 3.450 1.00 0.42 C ATOM 1871 O LEU A 120 -18.814 2.289 3.978 1.00 0.44 O ATOM 1872 CB LEU A 120 -17.622 4.389 1.840 1.00 0.53 C ATOM 1873 CG LEU A 120 -16.915 5.651 1.343 1.00 0.59 C ATOM 1874 CD1 LEU A 120 -16.348 5.420 -0.048 1.00 0.67 C ATOM 1875 CD2 LEU A 120 -17.870 6.833 1.339 1.00 0.62 C ATOM 0 H LEU A 120 -16.433 4.035 4.080 1.00 0.42 H new ATOM 0 HA LEU A 120 -18.868 5.424 3.248 1.00 0.45 H new ATOM 0 HB2 LEU A 120 -16.897 3.575 1.871 1.00 0.53 H new ATOM 0 HB3 LEU A 120 -18.384 4.109 1.112 1.00 0.53 H new ATOM 0 HG LEU A 120 -16.093 5.879 2.022 1.00 0.59 H new ATOM 0 HD11 LEU A 120 -15.847 6.325 -0.392 1.00 0.67 H new ATOM 0 HD12 LEU A 120 -15.632 4.598 -0.017 1.00 0.67 H new ATOM 0 HD13 LEU A 120 -17.157 5.171 -0.734 1.00 0.67 H new ATOM 0 HD21 LEU A 120 -17.348 7.721 0.982 1.00 0.62 H new ATOM 0 HD22 LEU A 120 -18.712 6.618 0.681 1.00 0.62 H new ATOM 0 HD23 LEU A 120 -18.236 7.009 2.351 1.00 0.62 H new ATOM 1887 N PRO A 121 -20.505 3.483 3.090 1.00 0.42 N ATOM 1888 CA PRO A 121 -21.505 2.422 3.245 1.00 0.43 C ATOM 1889 C PRO A 121 -21.354 1.330 2.182 1.00 0.48 C ATOM 1890 O PRO A 121 -20.372 1.314 1.435 1.00 0.53 O ATOM 1891 CB PRO A 121 -22.829 3.162 3.066 1.00 0.44 C ATOM 1892 CG PRO A 121 -22.510 4.335 2.208 1.00 0.54 C ATOM 1893 CD PRO A 121 -21.084 4.713 2.513 1.00 0.44 C ATOM 0 HA PRO A 121 -21.415 1.906 4.201 1.00 0.43 H new ATOM 0 HB2 PRO A 121 -23.577 2.523 2.596 1.00 0.44 H new ATOM 0 HB3 PRO A 121 -23.237 3.477 4.027 1.00 0.44 H new ATOM 0 HG2 PRO A 121 -22.629 4.088 1.153 1.00 0.54 H new ATOM 0 HG3 PRO A 121 -23.185 5.165 2.419 1.00 0.54 H new ATOM 0 HD2 PRO A 121 -20.551 5.021 1.613 1.00 0.44 H new ATOM 0 HD3 PRO A 121 -21.033 5.546 3.215 1.00 0.44 H new ATOM 1901 N SER A 122 -22.335 0.426 2.124 1.00 0.52 N ATOM 1902 CA SER A 122 -22.340 -0.677 1.161 1.00 0.59 C ATOM 1903 C SER A 122 -21.102 -1.563 1.315 1.00 0.53 C ATOM 1904 O SER A 122 -20.468 -1.945 0.329 1.00 0.55 O ATOM 1905 CB SER A 122 -22.439 -0.131 -0.268 1.00 0.68 C ATOM 1906 OG SER A 122 -23.384 0.929 -0.347 1.00 0.84 O ATOM 0 H SER A 122 -23.146 0.438 2.742 1.00 0.52 H new ATOM 0 HA SER A 122 -23.214 -1.297 1.364 1.00 0.59 H new ATOM 0 HB2 SER A 122 -21.461 0.224 -0.593 1.00 0.68 H new ATOM 0 HB3 SER A 122 -22.729 -0.932 -0.947 1.00 0.68 H new ATOM 0 HG SER A 122 -23.427 1.261 -1.268 1.00 0.84 H new ATOM 1912 N ARG A 123 -20.767 -1.892 2.557 1.00 0.47 N ATOM 1913 CA ARG A 123 -19.611 -2.732 2.831 1.00 0.41 C ATOM 1914 C ARG A 123 -19.898 -4.174 2.420 1.00 0.36 C ATOM 1915 O ARG A 123 -20.804 -4.811 2.952 1.00 0.41 O ATOM 1916 CB ARG A 123 -19.244 -2.681 4.320 1.00 0.45 C ATOM 1917 CG ARG A 123 -17.963 -3.433 4.642 1.00 0.42 C ATOM 1918 CD ARG A 123 -17.986 -4.012 6.047 1.00 0.43 C ATOM 1919 NE ARG A 123 -17.456 -3.080 7.042 1.00 0.40 N ATOM 1920 CZ ARG A 123 -16.178 -3.042 7.422 1.00 0.45 C ATOM 1921 NH1 ARG A 123 -15.288 -3.875 6.895 1.00 0.55 N ATOM 1922 NH2 ARG A 123 -15.779 -2.167 8.337 1.00 0.58 N ATOM 0 H ARG A 123 -21.278 -1.590 3.386 1.00 0.47 H new ATOM 0 HA ARG A 123 -18.770 -2.354 2.250 1.00 0.41 H new ATOM 0 HB2 ARG A 123 -19.135 -1.641 4.626 1.00 0.45 H new ATOM 0 HB3 ARG A 123 -20.062 -3.101 4.905 1.00 0.45 H new ATOM 0 HG2 ARG A 123 -17.822 -4.237 3.920 1.00 0.42 H new ATOM 0 HG3 ARG A 123 -17.111 -2.760 4.540 1.00 0.42 H new ATOM 0 HD2 ARG A 123 -19.010 -4.278 6.311 1.00 0.43 H new ATOM 0 HD3 ARG A 123 -17.402 -4.932 6.068 1.00 0.43 H new ATOM 0 HE ARG A 123 -18.103 -2.419 7.471 1.00 0.40 H new ATOM 0 HH11 ARG A 123 -15.579 -4.554 6.191 1.00 0.55 H new ATOM 0 HH12 ARG A 123 -14.314 -3.836 7.194 1.00 0.55 H new ATOM 0 HH21 ARG A 123 -16.450 -1.521 8.752 1.00 0.58 H new ATOM 0 HH22 ARG A 123 -14.801 -2.141 8.625 1.00 0.58 H new ATOM 1936 N THR A 124 -19.126 -4.681 1.475 1.00 0.33 N ATOM 1937 CA THR A 124 -19.309 -6.041 0.988 1.00 0.32 C ATOM 1938 C THR A 124 -18.265 -6.994 1.573 1.00 0.30 C ATOM 1939 O THR A 124 -18.431 -8.214 1.539 1.00 0.33 O ATOM 1940 CB THR A 124 -19.233 -6.079 -0.546 1.00 0.38 C ATOM 1941 OG1 THR A 124 -18.799 -4.802 -1.038 1.00 0.65 O ATOM 1942 CG2 THR A 124 -20.587 -6.428 -1.146 1.00 0.81 C ATOM 0 H THR A 124 -18.364 -4.172 1.027 1.00 0.33 H new ATOM 0 HA THR A 124 -20.296 -6.371 1.312 1.00 0.32 H new ATOM 0 HB THR A 124 -18.518 -6.848 -0.839 1.00 0.38 H new ATOM 0 HG1 THR A 124 -18.749 -4.828 -2.016 1.00 0.65 H new ATOM 0 HG21 THR A 124 -20.509 -6.449 -2.233 1.00 0.81 H new ATOM 0 HG22 THR A 124 -20.903 -7.407 -0.786 1.00 0.81 H new ATOM 0 HG23 THR A 124 -21.321 -5.678 -0.849 1.00 0.81 H new ATOM 1950 N VAL A 125 -17.188 -6.427 2.098 1.00 0.33 N ATOM 1951 CA VAL A 125 -16.116 -7.215 2.689 1.00 0.32 C ATOM 1952 C VAL A 125 -16.106 -7.063 4.205 1.00 0.35 C ATOM 1953 O VAL A 125 -15.877 -5.969 4.728 1.00 0.37 O ATOM 1954 CB VAL A 125 -14.740 -6.801 2.127 1.00 0.31 C ATOM 1955 CG1 VAL A 125 -13.630 -7.653 2.721 1.00 0.34 C ATOM 1956 CG2 VAL A 125 -14.724 -6.891 0.607 1.00 0.28 C ATOM 0 H VAL A 125 -17.033 -5.419 2.127 1.00 0.33 H new ATOM 0 HA VAL A 125 -16.302 -8.258 2.431 1.00 0.32 H new ATOM 0 HB VAL A 125 -14.563 -5.764 2.411 1.00 0.31 H new ATOM 0 HG11 VAL A 125 -12.671 -7.340 2.308 1.00 0.34 H new ATOM 0 HG12 VAL A 125 -13.616 -7.530 3.804 1.00 0.34 H new ATOM 0 HG13 VAL A 125 -13.806 -8.701 2.478 1.00 0.34 H new ATOM 0 HG21 VAL A 125 -13.743 -6.594 0.235 1.00 0.28 H new ATOM 0 HG22 VAL A 125 -14.933 -7.916 0.301 1.00 0.28 H new ATOM 0 HG23 VAL A 125 -15.484 -6.227 0.195 1.00 0.28 H new ATOM 1966 N ASP A 126 -16.365 -8.160 4.908 1.00 0.37 N ATOM 1967 CA ASP A 126 -16.380 -8.144 6.367 1.00 0.41 C ATOM 1968 C ASP A 126 -14.963 -8.053 6.916 1.00 0.36 C ATOM 1969 O ASP A 126 -14.017 -8.562 6.311 1.00 0.34 O ATOM 1970 CB ASP A 126 -17.069 -9.394 6.924 1.00 0.47 C ATOM 1971 CG ASP A 126 -17.450 -9.240 8.385 1.00 0.89 C ATOM 1972 OD1 ASP A 126 -18.599 -8.824 8.665 1.00 1.36 O ATOM 1973 OD2 ASP A 126 -16.602 -9.526 9.260 1.00 1.69 O ATOM 0 H ASP A 126 -16.567 -9.070 4.493 1.00 0.37 H new ATOM 0 HA ASP A 126 -16.943 -7.266 6.683 1.00 0.41 H new ATOM 0 HB2 ASP A 126 -17.964 -9.604 6.338 1.00 0.47 H new ATOM 0 HB3 ASP A 126 -16.406 -10.252 6.812 1.00 0.47 H new ATOM 1978 N THR A 127 -14.829 -7.403 8.062 1.00 0.36 N ATOM 1979 CA THR A 127 -13.541 -7.242 8.709 1.00 0.33 C ATOM 1980 C THR A 127 -12.910 -8.599 9.037 1.00 0.27 C ATOM 1981 O THR A 127 -11.689 -8.759 8.955 1.00 0.26 O ATOM 1982 CB THR A 127 -13.691 -6.407 9.992 1.00 0.39 C ATOM 1983 OG1 THR A 127 -14.550 -5.287 9.733 1.00 0.82 O ATOM 1984 CG2 THR A 127 -12.344 -5.904 10.483 1.00 0.56 C ATOM 0 H THR A 127 -15.606 -6.976 8.565 1.00 0.36 H new ATOM 0 HA THR A 127 -12.881 -6.720 8.016 1.00 0.33 H new ATOM 0 HB THR A 127 -14.122 -7.043 10.765 1.00 0.39 H new ATOM 0 HG1 THR A 127 -14.051 -4.597 9.248 1.00 0.82 H new ATOM 0 HG21 THR A 127 -12.484 -5.317 11.391 1.00 0.56 H new ATOM 0 HG22 THR A 127 -11.694 -6.753 10.696 1.00 0.56 H new ATOM 0 HG23 THR A 127 -11.887 -5.280 9.715 1.00 0.56 H new ATOM 1992 N LYS A 128 -13.746 -9.585 9.364 1.00 0.28 N ATOM 1993 CA LYS A 128 -13.258 -10.916 9.693 1.00 0.27 C ATOM 1994 C LYS A 128 -12.592 -11.559 8.483 1.00 0.24 C ATOM 1995 O LYS A 128 -11.518 -12.142 8.600 1.00 0.24 O ATOM 1996 CB LYS A 128 -14.392 -11.823 10.186 1.00 0.34 C ATOM 1997 CG LYS A 128 -13.900 -13.191 10.631 1.00 0.39 C ATOM 1998 CD LYS A 128 -15.017 -14.222 10.653 1.00 0.46 C ATOM 1999 CE LYS A 128 -14.491 -15.599 11.036 1.00 0.54 C ATOM 2000 NZ LYS A 128 -13.623 -16.178 9.973 1.00 0.62 N ATOM 0 H LYS A 128 -14.760 -9.484 9.407 1.00 0.28 H new ATOM 0 HA LYS A 128 -12.527 -10.803 10.494 1.00 0.27 H new ATOM 0 HB2 LYS A 128 -14.904 -11.338 11.017 1.00 0.34 H new ATOM 0 HB3 LYS A 128 -15.125 -11.947 9.389 1.00 0.34 H new ATOM 0 HG2 LYS A 128 -13.110 -13.528 9.960 1.00 0.39 H new ATOM 0 HG3 LYS A 128 -13.461 -13.112 11.625 1.00 0.39 H new ATOM 0 HD2 LYS A 128 -15.785 -13.914 11.362 1.00 0.46 H new ATOM 0 HD3 LYS A 128 -15.489 -14.271 9.672 1.00 0.46 H new ATOM 0 HE2 LYS A 128 -13.927 -15.526 11.966 1.00 0.54 H new ATOM 0 HE3 LYS A 128 -15.330 -16.269 11.224 1.00 0.54 H new ATOM 0 HZ1 LYS A 128 -13.452 -17.184 10.174 1.00 0.62 H new ATOM 0 HZ2 LYS A 128 -14.095 -16.085 9.051 1.00 0.62 H new ATOM 0 HZ3 LYS A 128 -12.716 -15.670 9.951 1.00 0.62 H new ATOM 2014 N GLN A 129 -13.230 -11.437 7.317 1.00 0.25 N ATOM 2015 CA GLN A 129 -12.697 -12.017 6.083 1.00 0.26 C ATOM 2016 C GLN A 129 -11.332 -11.428 5.759 1.00 0.25 C ATOM 2017 O GLN A 129 -10.411 -12.141 5.354 1.00 0.31 O ATOM 2018 CB GLN A 129 -13.655 -11.782 4.911 1.00 0.30 C ATOM 2019 CG GLN A 129 -14.946 -12.579 5.011 1.00 0.54 C ATOM 2020 CD GLN A 129 -15.314 -13.288 3.718 1.00 0.68 C ATOM 2021 OE1 GLN A 129 -16.491 -13.487 3.423 1.00 0.89 O ATOM 2022 NE2 GLN A 129 -14.317 -13.691 2.942 1.00 0.93 N ATOM 0 H GLN A 129 -14.115 -10.943 7.202 1.00 0.25 H new ATOM 0 HA GLN A 129 -12.591 -13.091 6.238 1.00 0.26 H new ATOM 0 HB2 GLN A 129 -13.896 -10.720 4.857 1.00 0.30 H new ATOM 0 HB3 GLN A 129 -13.149 -12.041 3.981 1.00 0.30 H new ATOM 0 HG2 GLN A 129 -14.849 -13.317 5.807 1.00 0.54 H new ATOM 0 HG3 GLN A 129 -15.758 -11.909 5.294 1.00 0.54 H new ATOM 0 HE21 GLN A 129 -13.352 -13.510 3.217 1.00 0.93 H new ATOM 0 HE22 GLN A 129 -14.516 -14.182 2.070 1.00 0.93 H new ATOM 2031 N ALA A 130 -11.211 -10.121 5.953 1.00 0.24 N ATOM 2032 CA ALA A 130 -9.963 -9.421 5.699 1.00 0.27 C ATOM 2033 C ALA A 130 -8.892 -9.855 6.697 1.00 0.25 C ATOM 2034 O ALA A 130 -7.772 -10.194 6.315 1.00 0.27 O ATOM 2035 CB ALA A 130 -10.189 -7.918 5.753 1.00 0.30 C ATOM 0 H ALA A 130 -11.967 -9.524 6.287 1.00 0.24 H new ATOM 0 HA ALA A 130 -9.609 -9.678 4.700 1.00 0.27 H new ATOM 0 HB1 ALA A 130 -9.248 -7.402 5.562 1.00 0.30 H new ATOM 0 HB2 ALA A 130 -10.920 -7.633 4.997 1.00 0.30 H new ATOM 0 HB3 ALA A 130 -10.561 -7.641 6.740 1.00 0.30 H new ATOM 2041 N GLN A 131 -9.250 -9.864 7.977 1.00 0.23 N ATOM 2042 CA GLN A 131 -8.326 -10.268 9.027 1.00 0.26 C ATOM 2043 C GLN A 131 -7.902 -11.724 8.832 1.00 0.27 C ATOM 2044 O GLN A 131 -6.762 -12.097 9.104 1.00 0.28 O ATOM 2045 CB GLN A 131 -8.982 -10.094 10.398 1.00 0.28 C ATOM 2046 CG GLN A 131 -8.027 -10.250 11.566 1.00 0.34 C ATOM 2047 CD GLN A 131 -7.014 -9.123 11.641 1.00 0.39 C ATOM 2048 OE1 GLN A 131 -5.913 -9.232 11.105 1.00 0.47 O ATOM 2049 NE2 GLN A 131 -7.380 -8.029 12.295 1.00 0.42 N ATOM 0 H GLN A 131 -10.176 -9.595 8.311 1.00 0.23 H new ATOM 0 HA GLN A 131 -7.440 -9.636 8.974 1.00 0.26 H new ATOM 0 HB2 GLN A 131 -9.440 -9.106 10.447 1.00 0.28 H new ATOM 0 HB3 GLN A 131 -9.785 -10.824 10.500 1.00 0.28 H new ATOM 0 HG2 GLN A 131 -8.596 -10.285 12.495 1.00 0.34 H new ATOM 0 HG3 GLN A 131 -7.502 -11.201 11.478 1.00 0.34 H new ATOM 0 HE21 GLN A 131 -8.303 -7.977 12.726 1.00 0.42 H new ATOM 0 HE22 GLN A 131 -6.739 -7.239 12.367 1.00 0.42 H new ATOM 2058 N ASP A 132 -8.834 -12.538 8.352 1.00 0.29 N ATOM 2059 CA ASP A 132 -8.581 -13.955 8.102 1.00 0.33 C ATOM 2060 C ASP A 132 -7.443 -14.128 7.101 1.00 0.28 C ATOM 2061 O ASP A 132 -6.492 -14.875 7.343 1.00 0.30 O ATOM 2062 CB ASP A 132 -9.848 -14.634 7.570 1.00 0.41 C ATOM 2063 CG ASP A 132 -10.375 -15.702 8.508 1.00 0.58 C ATOM 2064 OD1 ASP A 132 -11.155 -15.361 9.425 1.00 1.17 O ATOM 2065 OD2 ASP A 132 -10.019 -16.885 8.332 1.00 1.18 O ATOM 0 H ASP A 132 -9.782 -12.238 8.125 1.00 0.29 H new ATOM 0 HA ASP A 132 -8.294 -14.423 9.044 1.00 0.33 H new ATOM 0 HB2 ASP A 132 -10.620 -13.881 7.412 1.00 0.41 H new ATOM 0 HB3 ASP A 132 -9.636 -15.081 6.599 1.00 0.41 H new ATOM 2070 N LEU A 133 -7.525 -13.403 5.993 1.00 0.27 N ATOM 2071 CA LEU A 133 -6.509 -13.474 4.950 1.00 0.26 C ATOM 2072 C LEU A 133 -5.180 -12.901 5.439 1.00 0.21 C ATOM 2073 O LEU A 133 -4.116 -13.461 5.170 1.00 0.20 O ATOM 2074 CB LEU A 133 -6.980 -12.729 3.703 1.00 0.32 C ATOM 2075 CG LEU A 133 -5.990 -12.749 2.537 1.00 0.34 C ATOM 2076 CD1 LEU A 133 -5.827 -14.155 1.986 1.00 0.44 C ATOM 2077 CD2 LEU A 133 -6.434 -11.797 1.443 1.00 0.44 C ATOM 0 H LEU A 133 -8.288 -12.756 5.793 1.00 0.27 H new ATOM 0 HA LEU A 133 -6.353 -14.523 4.698 1.00 0.26 H new ATOM 0 HB2 LEU A 133 -7.922 -13.164 3.370 1.00 0.32 H new ATOM 0 HB3 LEU A 133 -7.185 -11.692 3.971 1.00 0.32 H new ATOM 0 HG LEU A 133 -5.021 -12.418 2.911 1.00 0.34 H new ATOM 0 HD11 LEU A 133 -5.118 -14.141 1.158 1.00 0.44 H new ATOM 0 HD12 LEU A 133 -5.455 -14.813 2.772 1.00 0.44 H new ATOM 0 HD13 LEU A 133 -6.791 -14.521 1.632 1.00 0.44 H new ATOM 0 HD21 LEU A 133 -5.717 -11.826 0.623 1.00 0.44 H new ATOM 0 HD22 LEU A 133 -7.416 -12.096 1.077 1.00 0.44 H new ATOM 0 HD23 LEU A 133 -6.488 -10.784 1.842 1.00 0.44 H new ATOM 2089 N ALA A 134 -5.249 -11.794 6.168 1.00 0.21 N ATOM 2090 CA ALA A 134 -4.053 -11.142 6.703 1.00 0.21 C ATOM 2091 C ALA A 134 -3.243 -12.102 7.575 1.00 0.22 C ATOM 2092 O ALA A 134 -2.020 -12.202 7.442 1.00 0.25 O ATOM 2093 CB ALA A 134 -4.436 -9.899 7.497 1.00 0.25 C ATOM 0 H ALA A 134 -6.123 -11.325 6.405 1.00 0.21 H new ATOM 0 HA ALA A 134 -3.428 -10.843 5.861 1.00 0.21 H new ATOM 0 HB1 ALA A 134 -3.536 -9.425 7.888 1.00 0.25 H new ATOM 0 HB2 ALA A 134 -4.961 -9.199 6.847 1.00 0.25 H new ATOM 0 HB3 ALA A 134 -5.086 -10.182 8.325 1.00 0.25 H new ATOM 2099 N ARG A 135 -3.936 -12.834 8.442 1.00 0.24 N ATOM 2100 CA ARG A 135 -3.296 -13.789 9.340 1.00 0.30 C ATOM 2101 C ARG A 135 -2.741 -14.977 8.564 1.00 0.25 C ATOM 2102 O ARG A 135 -1.801 -15.632 9.004 1.00 0.28 O ATOM 2103 CB ARG A 135 -4.295 -14.275 10.386 1.00 0.41 C ATOM 2104 CG ARG A 135 -4.725 -13.201 11.371 1.00 1.21 C ATOM 2105 CD ARG A 135 -5.874 -13.677 12.245 1.00 1.34 C ATOM 2106 NE ARG A 135 -7.142 -13.719 11.517 1.00 1.20 N ATOM 2107 CZ ARG A 135 -8.319 -13.967 12.090 1.00 1.04 C ATOM 2108 NH1 ARG A 135 -8.390 -14.196 13.397 1.00 1.54 N ATOM 2109 NH2 ARG A 135 -9.425 -13.989 11.362 1.00 1.43 N ATOM 0 H ARG A 135 -4.950 -12.783 8.542 1.00 0.24 H new ATOM 0 HA ARG A 135 -2.468 -13.285 9.839 1.00 0.30 H new ATOM 0 HB2 ARG A 135 -5.178 -14.663 9.878 1.00 0.41 H new ATOM 0 HB3 ARG A 135 -3.854 -15.105 10.938 1.00 0.41 H new ATOM 0 HG2 ARG A 135 -3.879 -12.922 12.000 1.00 1.21 H new ATOM 0 HG3 ARG A 135 -5.027 -12.306 10.827 1.00 1.21 H new ATOM 0 HD2 ARG A 135 -5.646 -14.670 12.632 1.00 1.34 H new ATOM 0 HD3 ARG A 135 -5.973 -13.015 13.105 1.00 1.34 H new ATOM 0 HE ARG A 135 -7.124 -13.548 10.512 1.00 1.20 H new ATOM 0 HH11 ARG A 135 -7.542 -14.182 13.964 1.00 1.54 H new ATOM 0 HH12 ARG A 135 -9.292 -14.386 13.833 1.00 1.54 H new ATOM 0 HH21 ARG A 135 -9.378 -13.816 10.358 1.00 1.43 H new ATOM 0 HH22 ARG A 135 -10.324 -14.179 11.805 1.00 1.43 H new ATOM 2123 N SER A 136 -3.324 -15.243 7.402 1.00 0.30 N ATOM 2124 CA SER A 136 -2.885 -16.350 6.567 1.00 0.34 C ATOM 2125 C SER A 136 -1.528 -16.034 5.941 1.00 0.29 C ATOM 2126 O SER A 136 -0.743 -16.934 5.631 1.00 0.36 O ATOM 2127 CB SER A 136 -3.922 -16.659 5.482 1.00 0.43 C ATOM 2128 OG SER A 136 -5.198 -16.900 6.054 1.00 0.68 O ATOM 0 H SER A 136 -4.102 -14.706 7.018 1.00 0.30 H new ATOM 0 HA SER A 136 -2.781 -17.235 7.195 1.00 0.34 H new ATOM 0 HB2 SER A 136 -3.984 -15.824 4.784 1.00 0.43 H new ATOM 0 HB3 SER A 136 -3.606 -17.530 4.909 1.00 0.43 H new ATOM 0 HG SER A 136 -5.491 -16.105 6.547 1.00 0.68 H new ATOM 2134 N TYR A 137 -1.249 -14.749 5.770 1.00 0.27 N ATOM 2135 CA TYR A 137 0.018 -14.316 5.199 1.00 0.26 C ATOM 2136 C TYR A 137 1.027 -14.035 6.300 1.00 0.25 C ATOM 2137 O TYR A 137 2.228 -14.254 6.137 1.00 0.38 O ATOM 2138 CB TYR A 137 -0.173 -13.051 4.357 1.00 0.30 C ATOM 2139 CG TYR A 137 -0.988 -13.250 3.099 1.00 0.38 C ATOM 2140 CD1 TYR A 137 -0.900 -14.424 2.364 1.00 0.66 C ATOM 2141 CD2 TYR A 137 -1.838 -12.254 2.639 1.00 0.54 C ATOM 2142 CE1 TYR A 137 -1.634 -14.598 1.209 1.00 0.74 C ATOM 2143 CE2 TYR A 137 -2.576 -12.422 1.489 1.00 0.65 C ATOM 2144 CZ TYR A 137 -2.472 -13.592 0.777 1.00 0.63 C ATOM 2145 OH TYR A 137 -3.203 -13.752 -0.375 1.00 0.77 O ATOM 0 H TYR A 137 -1.883 -13.989 6.018 1.00 0.27 H new ATOM 0 HA TYR A 137 0.390 -15.118 4.562 1.00 0.26 H new ATOM 0 HB2 TYR A 137 -0.656 -12.291 4.971 1.00 0.30 H new ATOM 0 HB3 TYR A 137 0.807 -12.662 4.082 1.00 0.30 H new ATOM 0 HD1 TYR A 137 -0.246 -15.214 2.702 1.00 0.66 H new ATOM 0 HD2 TYR A 137 -1.922 -11.331 3.193 1.00 0.54 H new ATOM 0 HE1 TYR A 137 -1.553 -15.516 0.647 1.00 0.74 H new ATOM 0 HE2 TYR A 137 -3.234 -11.637 1.148 1.00 0.65 H new ATOM 0 HH TYR A 137 -3.407 -14.702 -0.504 1.00 0.77 H new ATOM 2155 N GLY A 138 0.523 -13.554 7.426 1.00 0.24 N ATOM 2156 CA GLY A 138 1.379 -13.218 8.537 1.00 0.23 C ATOM 2157 C GLY A 138 1.664 -11.739 8.563 1.00 0.21 C ATOM 2158 O GLY A 138 2.728 -11.302 9.004 1.00 0.25 O ATOM 0 H GLY A 138 -0.471 -13.391 7.588 1.00 0.24 H new ATOM 0 HA2 GLY A 138 0.905 -13.518 9.471 1.00 0.23 H new ATOM 0 HA3 GLY A 138 2.315 -13.772 8.462 1.00 0.23 H new ATOM 2162 N ILE A 139 0.704 -10.969 8.072 1.00 0.19 N ATOM 2163 CA ILE A 139 0.830 -9.524 8.013 1.00 0.20 C ATOM 2164 C ILE A 139 -0.328 -8.856 8.751 1.00 0.19 C ATOM 2165 O ILE A 139 -1.386 -9.465 8.924 1.00 0.22 O ATOM 2166 CB ILE A 139 0.855 -9.022 6.551 1.00 0.23 C ATOM 2167 CG1 ILE A 139 -0.393 -9.501 5.802 1.00 0.26 C ATOM 2168 CG2 ILE A 139 2.113 -9.505 5.844 1.00 0.28 C ATOM 2169 CD1 ILE A 139 -1.012 -8.453 4.901 1.00 0.51 C ATOM 0 H ILE A 139 -0.178 -11.327 7.706 1.00 0.19 H new ATOM 0 HA ILE A 139 1.772 -9.259 8.492 1.00 0.20 H new ATOM 0 HB ILE A 139 0.860 -7.932 6.560 1.00 0.23 H new ATOM 0 HG12 ILE A 139 -0.132 -10.373 5.202 1.00 0.26 H new ATOM 0 HG13 ILE A 139 -1.138 -9.826 6.529 1.00 0.26 H new ATOM 0 HG21 ILE A 139 2.114 -9.143 4.816 1.00 0.28 H new ATOM 0 HG22 ILE A 139 2.992 -9.124 6.364 1.00 0.28 H new ATOM 0 HG23 ILE A 139 2.135 -10.595 5.845 1.00 0.28 H new ATOM 0 HD11 ILE A 139 -1.890 -8.870 4.407 1.00 0.51 H new ATOM 0 HD12 ILE A 139 -1.307 -7.589 5.497 1.00 0.51 H new ATOM 0 HD13 ILE A 139 -0.285 -8.144 4.149 1.00 0.51 H new ATOM 2181 N PRO A 140 -0.151 -7.606 9.206 1.00 0.17 N ATOM 2182 CA PRO A 140 -1.203 -6.879 9.917 1.00 0.19 C ATOM 2183 C PRO A 140 -2.262 -6.308 8.974 1.00 0.16 C ATOM 2184 O PRO A 140 -2.009 -6.100 7.783 1.00 0.19 O ATOM 2185 CB PRO A 140 -0.434 -5.757 10.613 1.00 0.24 C ATOM 2186 CG PRO A 140 0.731 -5.488 9.729 1.00 0.36 C ATOM 2187 CD PRO A 140 1.088 -6.805 9.087 1.00 0.20 C ATOM 0 HA PRO A 140 -1.760 -7.522 10.598 1.00 0.19 H new ATOM 0 HB2 PRO A 140 -1.053 -4.868 10.732 1.00 0.24 H new ATOM 0 HB3 PRO A 140 -0.113 -6.058 11.610 1.00 0.24 H new ATOM 0 HG2 PRO A 140 0.482 -4.742 8.974 1.00 0.36 H new ATOM 0 HG3 PRO A 140 1.571 -5.094 10.302 1.00 0.36 H new ATOM 0 HD2 PRO A 140 1.381 -6.675 8.045 1.00 0.20 H new ATOM 0 HD3 PRO A 140 1.924 -7.284 9.596 1.00 0.20 H new ATOM 2195 N PHE A 141 -3.445 -6.058 9.515 1.00 0.19 N ATOM 2196 CA PHE A 141 -4.549 -5.511 8.743 1.00 0.19 C ATOM 2197 C PHE A 141 -5.186 -4.341 9.485 1.00 0.19 C ATOM 2198 O PHE A 141 -5.473 -4.434 10.680 1.00 0.23 O ATOM 2199 CB PHE A 141 -5.597 -6.591 8.465 1.00 0.25 C ATOM 2200 CG PHE A 141 -6.949 -6.051 8.080 1.00 0.27 C ATOM 2201 CD1 PHE A 141 -7.114 -5.302 6.924 1.00 0.27 C ATOM 2202 CD2 PHE A 141 -8.053 -6.288 8.882 1.00 0.34 C ATOM 2203 CE1 PHE A 141 -8.357 -4.800 6.579 1.00 0.31 C ATOM 2204 CE2 PHE A 141 -9.294 -5.792 8.542 1.00 0.38 C ATOM 2205 CZ PHE A 141 -9.448 -5.046 7.390 1.00 0.35 C ATOM 0 H PHE A 141 -3.665 -6.228 10.496 1.00 0.19 H new ATOM 0 HA PHE A 141 -4.158 -5.153 7.791 1.00 0.19 H new ATOM 0 HB2 PHE A 141 -5.234 -7.237 7.665 1.00 0.25 H new ATOM 0 HB3 PHE A 141 -5.706 -7.214 9.353 1.00 0.25 H new ATOM 0 HD1 PHE A 141 -6.264 -5.109 6.287 1.00 0.27 H new ATOM 0 HD2 PHE A 141 -7.941 -6.869 9.786 1.00 0.34 H new ATOM 0 HE1 PHE A 141 -8.474 -4.217 5.677 1.00 0.31 H new ATOM 0 HE2 PHE A 141 -10.146 -5.987 9.177 1.00 0.38 H new ATOM 0 HZ PHE A 141 -10.419 -4.656 7.124 1.00 0.35 H new ATOM 2215 N ILE A 142 -5.397 -3.240 8.770 1.00 0.18 N ATOM 2216 CA ILE A 142 -6.004 -2.048 9.354 1.00 0.21 C ATOM 2217 C ILE A 142 -7.027 -1.426 8.402 1.00 0.19 C ATOM 2218 O ILE A 142 -6.747 -1.240 7.216 1.00 0.20 O ATOM 2219 CB ILE A 142 -4.933 -0.980 9.696 1.00 0.28 C ATOM 2220 CG1 ILE A 142 -3.849 -1.563 10.609 1.00 0.38 C ATOM 2221 CG2 ILE A 142 -5.581 0.231 10.359 1.00 0.40 C ATOM 2222 CD1 ILE A 142 -2.640 -0.665 10.786 1.00 0.54 C ATOM 0 H ILE A 142 -5.156 -3.148 7.783 1.00 0.18 H new ATOM 0 HA ILE A 142 -6.504 -2.366 10.269 1.00 0.21 H new ATOM 0 HB ILE A 142 -4.464 -0.664 8.765 1.00 0.28 H new ATOM 0 HG12 ILE A 142 -4.284 -1.766 11.588 1.00 0.38 H new ATOM 0 HG13 ILE A 142 -3.521 -2.519 10.201 1.00 0.38 H new ATOM 0 HG21 ILE A 142 -4.816 0.971 10.593 1.00 0.40 H new ATOM 0 HG22 ILE A 142 -6.314 0.668 9.681 1.00 0.40 H new ATOM 0 HG23 ILE A 142 -6.078 -0.080 11.278 1.00 0.40 H new ATOM 0 HD11 ILE A 142 -1.920 -1.150 11.445 1.00 0.54 H new ATOM 0 HD12 ILE A 142 -2.178 -0.482 9.816 1.00 0.54 H new ATOM 0 HD13 ILE A 142 -2.952 0.283 11.224 1.00 0.54 H new ATOM 2234 N GLU A 143 -8.220 -1.134 8.915 1.00 0.22 N ATOM 2235 CA GLU A 143 -9.258 -0.493 8.115 1.00 0.21 C ATOM 2236 C GLU A 143 -8.987 1.006 8.088 1.00 0.21 C ATOM 2237 O GLU A 143 -8.818 1.624 9.139 1.00 0.27 O ATOM 2238 CB GLU A 143 -10.650 -0.763 8.695 1.00 0.28 C ATOM 2239 CG GLU A 143 -11.020 -2.236 8.745 1.00 0.34 C ATOM 2240 CD GLU A 143 -12.491 -2.450 9.047 1.00 0.54 C ATOM 2241 OE1 GLU A 143 -13.031 -1.764 9.945 1.00 0.87 O ATOM 2242 OE2 GLU A 143 -13.121 -3.304 8.387 1.00 0.88 O ATOM 0 H GLU A 143 -8.490 -1.331 9.879 1.00 0.22 H new ATOM 0 HA GLU A 143 -9.237 -0.902 7.105 1.00 0.21 H new ATOM 0 HB2 GLU A 143 -10.699 -0.352 9.703 1.00 0.28 H new ATOM 0 HB3 GLU A 143 -11.391 -0.232 8.098 1.00 0.28 H new ATOM 0 HG2 GLU A 143 -10.776 -2.702 7.791 1.00 0.34 H new ATOM 0 HG3 GLU A 143 -10.419 -2.734 9.506 1.00 0.34 H new ATOM 2249 N THR A 144 -8.948 1.596 6.905 1.00 0.24 N ATOM 2250 CA THR A 144 -8.656 3.012 6.792 1.00 0.27 C ATOM 2251 C THR A 144 -9.645 3.734 5.886 1.00 0.26 C ATOM 2252 O THR A 144 -10.517 3.117 5.270 1.00 0.28 O ATOM 2253 CB THR A 144 -7.229 3.245 6.252 1.00 0.36 C ATOM 2254 OG1 THR A 144 -7.107 2.697 4.934 1.00 0.43 O ATOM 2255 CG2 THR A 144 -6.187 2.611 7.166 1.00 0.36 C ATOM 0 H THR A 144 -9.113 1.120 6.018 1.00 0.24 H new ATOM 0 HA THR A 144 -8.742 3.420 7.799 1.00 0.27 H new ATOM 0 HB THR A 144 -7.053 4.320 6.219 1.00 0.36 H new ATOM 0 HG1 THR A 144 -6.259 2.987 4.536 1.00 0.43 H new ATOM 0 HG21 THR A 144 -5.191 2.790 6.762 1.00 0.36 H new ATOM 0 HG22 THR A 144 -6.260 3.051 8.161 1.00 0.36 H new ATOM 0 HG23 THR A 144 -6.364 1.537 7.230 1.00 0.36 H new ATOM 2263 N SER A 145 -9.501 5.047 5.826 1.00 0.25 N ATOM 2264 CA SER A 145 -10.342 5.888 4.995 1.00 0.26 C ATOM 2265 C SER A 145 -9.551 7.114 4.566 1.00 0.26 C ATOM 2266 O SER A 145 -8.871 7.734 5.380 1.00 0.30 O ATOM 2267 CB SER A 145 -11.611 6.312 5.747 1.00 0.27 C ATOM 2268 OG SER A 145 -12.183 7.476 5.169 1.00 0.33 O ATOM 0 H SER A 145 -8.795 5.560 6.354 1.00 0.25 H new ATOM 0 HA SER A 145 -10.649 5.322 4.116 1.00 0.26 H new ATOM 0 HB2 SER A 145 -12.337 5.499 5.729 1.00 0.27 H new ATOM 0 HB3 SER A 145 -11.371 6.502 6.793 1.00 0.27 H new ATOM 0 HG SER A 145 -12.909 7.218 4.563 1.00 0.33 H new ATOM 2274 N ALA A 146 -9.623 7.457 3.293 1.00 0.33 N ATOM 2275 CA ALA A 146 -8.910 8.618 2.790 1.00 0.34 C ATOM 2276 C ALA A 146 -9.697 9.890 3.077 1.00 0.29 C ATOM 2277 O ALA A 146 -9.213 10.999 2.861 1.00 0.32 O ATOM 2278 CB ALA A 146 -8.641 8.470 1.302 1.00 0.45 C ATOM 0 H ALA A 146 -10.165 6.952 2.592 1.00 0.33 H new ATOM 0 HA ALA A 146 -7.951 8.689 3.303 1.00 0.34 H new ATOM 0 HB1 ALA A 146 -8.106 9.348 0.940 1.00 0.45 H new ATOM 0 HB2 ALA A 146 -8.037 7.580 1.128 1.00 0.45 H new ATOM 0 HB3 ALA A 146 -9.587 8.376 0.769 1.00 0.45 H new ATOM 2284 N LYS A 147 -10.911 9.721 3.581 1.00 0.33 N ATOM 2285 CA LYS A 147 -11.768 10.853 3.893 1.00 0.40 C ATOM 2286 C LYS A 147 -11.573 11.302 5.340 1.00 0.40 C ATOM 2287 O LYS A 147 -11.392 12.491 5.614 1.00 0.52 O ATOM 2288 CB LYS A 147 -13.231 10.474 3.639 1.00 0.50 C ATOM 2289 CG LYS A 147 -14.178 11.662 3.571 1.00 0.75 C ATOM 2290 CD LYS A 147 -15.558 11.249 3.087 1.00 1.10 C ATOM 2291 CE LYS A 147 -16.539 12.405 3.158 1.00 1.04 C ATOM 2292 NZ LYS A 147 -17.850 12.055 2.556 1.00 1.32 N ATOM 0 H LYS A 147 -11.324 8.810 3.782 1.00 0.33 H new ATOM 0 HA LYS A 147 -11.497 11.688 3.247 1.00 0.40 H new ATOM 0 HB2 LYS A 147 -13.294 9.919 2.703 1.00 0.50 H new ATOM 0 HB3 LYS A 147 -13.564 9.803 4.431 1.00 0.50 H new ATOM 0 HG2 LYS A 147 -14.259 12.120 4.557 1.00 0.75 H new ATOM 0 HG3 LYS A 147 -13.768 12.418 2.901 1.00 0.75 H new ATOM 0 HD2 LYS A 147 -15.492 10.888 2.061 1.00 1.10 H new ATOM 0 HD3 LYS A 147 -15.925 10.421 3.693 1.00 1.10 H new ATOM 0 HE2 LYS A 147 -16.683 12.696 4.199 1.00 1.04 H new ATOM 0 HE3 LYS A 147 -16.121 13.269 2.641 1.00 1.04 H new ATOM 0 HZ1 LYS A 147 -18.492 12.870 2.624 1.00 1.32 H new ATOM 0 HZ2 LYS A 147 -17.716 11.802 1.556 1.00 1.32 H new ATOM 0 HZ3 LYS A 147 -18.261 11.247 3.065 1.00 1.32 H new ATOM 2306 N THR A 148 -11.599 10.354 6.263 1.00 0.37 N ATOM 2307 CA THR A 148 -11.431 10.665 7.673 1.00 0.41 C ATOM 2308 C THR A 148 -9.971 10.515 8.100 1.00 0.42 C ATOM 2309 O THR A 148 -9.568 11.033 9.144 1.00 0.49 O ATOM 2310 CB THR A 148 -12.309 9.743 8.539 1.00 0.43 C ATOM 2311 OG1 THR A 148 -12.048 8.372 8.200 1.00 0.40 O ATOM 2312 CG2 THR A 148 -13.785 10.051 8.330 1.00 0.52 C ATOM 0 H THR A 148 -11.735 9.363 6.061 1.00 0.37 H new ATOM 0 HA THR A 148 -11.737 11.701 7.819 1.00 0.41 H new ATOM 0 HB THR A 148 -12.065 9.915 9.587 1.00 0.43 H new ATOM 0 HG1 THR A 148 -12.606 7.786 8.753 1.00 0.40 H new ATOM 0 HG21 THR A 148 -14.387 9.388 8.952 1.00 0.52 H new ATOM 0 HG22 THR A 148 -13.983 11.087 8.607 1.00 0.52 H new ATOM 0 HG23 THR A 148 -14.043 9.900 7.282 1.00 0.52 H new ATOM 2320 N ARG A 149 -9.196 9.802 7.277 1.00 0.39 N ATOM 2321 CA ARG A 149 -7.777 9.542 7.538 1.00 0.46 C ATOM 2322 C ARG A 149 -7.605 8.639 8.757 1.00 0.48 C ATOM 2323 O ARG A 149 -6.545 8.612 9.382 1.00 0.66 O ATOM 2324 CB ARG A 149 -6.983 10.840 7.714 1.00 0.54 C ATOM 2325 CG ARG A 149 -6.111 11.174 6.514 1.00 0.98 C ATOM 2326 CD ARG A 149 -5.204 12.361 6.789 1.00 0.93 C ATOM 2327 NE ARG A 149 -4.031 11.995 7.587 1.00 1.19 N ATOM 2328 CZ ARG A 149 -3.002 12.815 7.797 1.00 1.06 C ATOM 2329 NH1 ARG A 149 -3.004 14.028 7.267 1.00 1.53 N ATOM 2330 NH2 ARG A 149 -1.978 12.411 8.536 1.00 1.39 N ATOM 0 H ARG A 149 -9.536 9.388 6.409 1.00 0.39 H new ATOM 0 HA ARG A 149 -7.377 9.027 6.665 1.00 0.46 H new ATOM 0 HB2 ARG A 149 -7.677 11.662 7.891 1.00 0.54 H new ATOM 0 HB3 ARG A 149 -6.354 10.757 8.600 1.00 0.54 H new ATOM 0 HG2 ARG A 149 -5.505 10.307 6.252 1.00 0.98 H new ATOM 0 HG3 ARG A 149 -6.744 11.392 5.654 1.00 0.98 H new ATOM 0 HD2 ARG A 149 -4.876 12.791 5.843 1.00 0.93 H new ATOM 0 HD3 ARG A 149 -5.769 13.133 7.311 1.00 0.93 H new ATOM 0 HE ARG A 149 -4.001 11.064 8.003 1.00 1.19 H new ATOM 0 HH11 ARG A 149 -3.793 14.335 6.698 1.00 1.53 H new ATOM 0 HH12 ARG A 149 -2.216 14.656 7.428 1.00 1.53 H new ATOM 0 HH21 ARG A 149 -1.980 11.475 8.942 1.00 1.39 H new ATOM 0 HH22 ARG A 149 -1.189 13.036 8.699 1.00 1.39 H new ATOM 2344 N GLN A 150 -8.646 7.881 9.067 1.00 0.40 N ATOM 2345 CA GLN A 150 -8.623 6.970 10.202 1.00 0.42 C ATOM 2346 C GLN A 150 -7.712 5.773 9.929 1.00 0.42 C ATOM 2347 O GLN A 150 -7.912 5.042 8.955 1.00 0.51 O ATOM 2348 CB GLN A 150 -10.042 6.487 10.524 1.00 0.48 C ATOM 2349 CG GLN A 150 -10.087 5.270 11.438 1.00 0.52 C ATOM 2350 CD GLN A 150 -11.505 4.775 11.696 1.00 0.69 C ATOM 2351 OE1 GLN A 150 -12.455 5.558 11.736 1.00 0.87 O ATOM 2352 NE2 GLN A 150 -11.661 3.471 11.867 1.00 0.87 N ATOM 0 H GLN A 150 -9.522 7.879 8.545 1.00 0.40 H new ATOM 0 HA GLN A 150 -8.227 7.512 11.061 1.00 0.42 H new ATOM 0 HB2 GLN A 150 -10.595 7.301 10.992 1.00 0.48 H new ATOM 0 HB3 GLN A 150 -10.554 6.248 9.592 1.00 0.48 H new ATOM 0 HG2 GLN A 150 -9.502 4.465 10.993 1.00 0.52 H new ATOM 0 HG3 GLN A 150 -9.615 5.518 12.389 1.00 0.52 H new ATOM 0 HE21 GLN A 150 -10.852 2.851 11.828 1.00 0.87 H new ATOM 0 HE22 GLN A 150 -12.590 3.087 12.038 1.00 0.87 H new ATOM 2361 N GLY A 151 -6.685 5.619 10.766 1.00 0.42 N ATOM 2362 CA GLY A 151 -5.764 4.500 10.642 1.00 0.51 C ATOM 2363 C GLY A 151 -4.723 4.675 9.554 1.00 0.45 C ATOM 2364 O GLY A 151 -3.789 3.880 9.464 1.00 0.42 O ATOM 0 H GLY A 151 -6.474 6.256 11.534 1.00 0.42 H new ATOM 0 HA2 GLY A 151 -5.257 4.353 11.596 1.00 0.51 H new ATOM 0 HA3 GLY A 151 -6.335 3.593 10.442 1.00 0.51 H new ATOM 2368 N VAL A 152 -4.871 5.709 8.735 1.00 0.49 N ATOM 2369 CA VAL A 152 -3.938 5.956 7.635 1.00 0.50 C ATOM 2370 C VAL A 152 -2.518 6.172 8.155 1.00 0.39 C ATOM 2371 O VAL A 152 -1.567 5.555 7.665 1.00 0.41 O ATOM 2372 CB VAL A 152 -4.379 7.168 6.790 1.00 0.61 C ATOM 2373 CG1 VAL A 152 -3.370 7.459 5.688 1.00 0.74 C ATOM 2374 CG2 VAL A 152 -5.761 6.918 6.206 1.00 0.67 C ATOM 0 H VAL A 152 -5.626 6.391 8.809 1.00 0.49 H new ATOM 0 HA VAL A 152 -3.945 5.070 7.000 1.00 0.50 H new ATOM 0 HB VAL A 152 -4.425 8.044 7.436 1.00 0.61 H new ATOM 0 HG11 VAL A 152 -3.704 8.318 5.106 1.00 0.74 H new ATOM 0 HG12 VAL A 152 -2.399 7.677 6.132 1.00 0.74 H new ATOM 0 HG13 VAL A 152 -3.284 6.590 5.035 1.00 0.74 H new ATOM 0 HG21 VAL A 152 -6.065 7.779 5.610 1.00 0.67 H new ATOM 0 HG22 VAL A 152 -5.734 6.031 5.574 1.00 0.67 H new ATOM 0 HG23 VAL A 152 -6.476 6.765 7.015 1.00 0.67 H new ATOM 2384 N ASP A 153 -2.384 7.039 9.151 1.00 0.37 N ATOM 2385 CA ASP A 153 -1.085 7.329 9.753 1.00 0.38 C ATOM 2386 C ASP A 153 -0.454 6.048 10.281 1.00 0.32 C ATOM 2387 O ASP A 153 0.709 5.753 10.008 1.00 0.33 O ATOM 2388 CB ASP A 153 -1.232 8.329 10.904 1.00 0.51 C ATOM 2389 CG ASP A 153 -1.444 9.760 10.442 1.00 0.87 C ATOM 2390 OD1 ASP A 153 -2.398 10.015 9.674 1.00 1.62 O ATOM 2391 OD2 ASP A 153 -0.667 10.644 10.863 1.00 1.24 O ATOM 0 H ASP A 153 -3.161 7.556 9.562 1.00 0.37 H new ATOM 0 HA ASP A 153 -0.445 7.763 8.984 1.00 0.38 H new ATOM 0 HB2 ASP A 153 -2.073 8.029 11.529 1.00 0.51 H new ATOM 0 HB3 ASP A 153 -0.339 8.286 11.528 1.00 0.51 H new ATOM 2396 N ASP A 154 -1.247 5.286 11.022 1.00 0.31 N ATOM 2397 CA ASP A 154 -0.787 4.037 11.615 1.00 0.32 C ATOM 2398 C ASP A 154 -0.371 3.031 10.550 1.00 0.31 C ATOM 2399 O ASP A 154 0.699 2.439 10.644 1.00 0.34 O ATOM 2400 CB ASP A 154 -1.878 3.435 12.502 1.00 0.38 C ATOM 2401 CG ASP A 154 -1.920 4.075 13.876 1.00 0.71 C ATOM 2402 OD1 ASP A 154 -2.310 5.259 13.976 1.00 0.99 O ATOM 2403 OD2 ASP A 154 -1.560 3.399 14.866 1.00 1.00 O ATOM 0 H ASP A 154 -2.220 5.513 11.228 1.00 0.31 H new ATOM 0 HA ASP A 154 0.088 4.265 12.224 1.00 0.32 H new ATOM 0 HB2 ASP A 154 -2.846 3.557 12.017 1.00 0.38 H new ATOM 0 HB3 ASP A 154 -1.707 2.364 12.608 1.00 0.38 H new ATOM 2408 N ALA A 155 -1.210 2.854 9.535 1.00 0.30 N ATOM 2409 CA ALA A 155 -0.932 1.907 8.453 1.00 0.32 C ATOM 2410 C ALA A 155 0.425 2.175 7.802 1.00 0.29 C ATOM 2411 O ALA A 155 1.245 1.265 7.659 1.00 0.31 O ATOM 2412 CB ALA A 155 -2.036 1.955 7.403 1.00 0.37 C ATOM 0 H ALA A 155 -2.093 3.355 9.436 1.00 0.30 H new ATOM 0 HA ALA A 155 -0.901 0.910 8.892 1.00 0.32 H new ATOM 0 HB1 ALA A 155 -1.812 1.245 6.607 1.00 0.37 H new ATOM 0 HB2 ALA A 155 -2.989 1.695 7.864 1.00 0.37 H new ATOM 0 HB3 ALA A 155 -2.098 2.960 6.986 1.00 0.37 H new ATOM 2418 N PHE A 156 0.661 3.424 7.427 1.00 0.28 N ATOM 2419 CA PHE A 156 1.914 3.808 6.784 1.00 0.30 C ATOM 2420 C PHE A 156 3.111 3.584 7.707 1.00 0.29 C ATOM 2421 O PHE A 156 4.147 3.072 7.278 1.00 0.33 O ATOM 2422 CB PHE A 156 1.853 5.272 6.347 1.00 0.36 C ATOM 2423 CG PHE A 156 1.181 5.482 5.017 1.00 0.55 C ATOM 2424 CD1 PHE A 156 1.820 5.134 3.840 1.00 1.21 C ATOM 2425 CD2 PHE A 156 -0.088 6.031 4.945 1.00 0.92 C ATOM 2426 CE1 PHE A 156 1.208 5.331 2.615 1.00 1.46 C ATOM 2427 CE2 PHE A 156 -0.706 6.229 3.724 1.00 1.05 C ATOM 2428 CZ PHE A 156 -0.060 5.880 2.559 1.00 1.11 C ATOM 0 H PHE A 156 0.002 4.191 7.556 1.00 0.28 H new ATOM 0 HA PHE A 156 2.047 3.175 5.907 1.00 0.30 H new ATOM 0 HB2 PHE A 156 1.322 5.846 7.106 1.00 0.36 H new ATOM 0 HB3 PHE A 156 2.867 5.669 6.298 1.00 0.36 H new ATOM 0 HD1 PHE A 156 2.810 4.703 3.878 1.00 1.21 H new ATOM 0 HD2 PHE A 156 -0.602 6.308 5.854 1.00 0.92 H new ATOM 0 HE1 PHE A 156 1.720 5.057 1.704 1.00 1.46 H new ATOM 0 HE2 PHE A 156 -1.696 6.658 3.684 1.00 1.05 H new ATOM 0 HZ PHE A 156 -0.542 6.035 1.605 1.00 1.11 H new ATOM 2438 N TYR A 157 2.962 3.946 8.976 1.00 0.29 N ATOM 2439 CA TYR A 157 4.045 3.793 9.947 1.00 0.34 C ATOM 2440 C TYR A 157 4.295 2.319 10.269 1.00 0.32 C ATOM 2441 O TYR A 157 5.438 1.910 10.479 1.00 0.35 O ATOM 2442 CB TYR A 157 3.742 4.577 11.231 1.00 0.43 C ATOM 2443 CG TYR A 157 3.644 6.077 11.024 1.00 0.47 C ATOM 2444 CD1 TYR A 157 4.181 6.682 9.892 1.00 0.86 C ATOM 2445 CD2 TYR A 157 3.006 6.888 11.957 1.00 0.88 C ATOM 2446 CE1 TYR A 157 4.085 8.044 9.696 1.00 0.98 C ATOM 2447 CE2 TYR A 157 2.909 8.254 11.766 1.00 0.98 C ATOM 2448 CZ TYR A 157 3.448 8.825 10.633 1.00 0.79 C ATOM 2449 OH TYR A 157 3.351 10.183 10.437 1.00 0.99 O ATOM 0 H TYR A 157 2.105 4.347 9.358 1.00 0.29 H new ATOM 0 HA TYR A 157 4.951 4.201 9.499 1.00 0.34 H new ATOM 0 HB2 TYR A 157 2.804 4.216 11.653 1.00 0.43 H new ATOM 0 HB3 TYR A 157 4.522 4.371 11.964 1.00 0.43 H new ATOM 0 HD1 TYR A 157 4.682 6.074 9.153 1.00 0.86 H new ATOM 0 HD2 TYR A 157 2.580 6.444 12.844 1.00 0.88 H new ATOM 0 HE1 TYR A 157 4.508 8.496 8.811 1.00 0.98 H new ATOM 0 HE2 TYR A 157 2.413 8.871 12.501 1.00 0.98 H new ATOM 0 HH TYR A 157 2.872 10.589 11.189 1.00 0.99 H new ATOM 2459 N THR A 158 3.227 1.526 10.301 1.00 0.29 N ATOM 2460 CA THR A 158 3.347 0.099 10.582 1.00 0.28 C ATOM 2461 C THR A 158 4.149 -0.593 9.480 1.00 0.25 C ATOM 2462 O THR A 158 4.981 -1.456 9.754 1.00 0.29 O ATOM 2463 CB THR A 158 1.963 -0.577 10.727 1.00 0.29 C ATOM 2464 OG1 THR A 158 1.182 0.115 11.711 1.00 0.30 O ATOM 2465 CG2 THR A 158 2.101 -2.040 11.134 1.00 0.34 C ATOM 0 H THR A 158 2.273 1.846 10.136 1.00 0.29 H new ATOM 0 HA THR A 158 3.871 -0.003 11.532 1.00 0.28 H new ATOM 0 HB THR A 158 1.466 -0.532 9.758 1.00 0.29 H new ATOM 0 HG1 THR A 158 0.786 0.916 11.310 1.00 0.30 H new ATOM 0 HG21 THR A 158 1.111 -2.487 11.228 1.00 0.34 H new ATOM 0 HG22 THR A 158 2.671 -2.577 10.375 1.00 0.34 H new ATOM 0 HG23 THR A 158 2.620 -2.104 12.090 1.00 0.34 H new ATOM 2473 N LEU A 159 3.914 -0.181 8.236 1.00 0.23 N ATOM 2474 CA LEU A 159 4.618 -0.750 7.092 1.00 0.23 C ATOM 2475 C LEU A 159 6.120 -0.496 7.211 1.00 0.22 C ATOM 2476 O LEU A 159 6.936 -1.355 6.869 1.00 0.21 O ATOM 2477 CB LEU A 159 4.074 -0.167 5.779 1.00 0.25 C ATOM 2478 CG LEU A 159 4.654 -0.772 4.495 1.00 0.28 C ATOM 2479 CD1 LEU A 159 4.547 -2.291 4.513 1.00 0.40 C ATOM 2480 CD2 LEU A 159 3.929 -0.216 3.280 1.00 0.42 C ATOM 0 H LEU A 159 3.240 0.546 7.996 1.00 0.23 H new ATOM 0 HA LEU A 159 4.450 -1.827 7.084 1.00 0.23 H new ATOM 0 HB2 LEU A 159 2.992 -0.298 5.765 1.00 0.25 H new ATOM 0 HB3 LEU A 159 4.265 0.906 5.772 1.00 0.25 H new ATOM 0 HG LEU A 159 5.708 -0.502 4.438 1.00 0.28 H new ATOM 0 HD11 LEU A 159 4.965 -2.696 3.592 1.00 0.40 H new ATOM 0 HD12 LEU A 159 5.100 -2.685 5.366 1.00 0.40 H new ATOM 0 HD13 LEU A 159 3.499 -2.581 4.594 1.00 0.40 H new ATOM 0 HD21 LEU A 159 4.349 -0.653 2.374 1.00 0.42 H new ATOM 0 HD22 LEU A 159 2.869 -0.463 3.344 1.00 0.42 H new ATOM 0 HD23 LEU A 159 4.048 0.867 3.250 1.00 0.42 H new ATOM 2492 N VAL A 160 6.484 0.678 7.723 1.00 0.26 N ATOM 2493 CA VAL A 160 7.890 1.026 7.904 1.00 0.29 C ATOM 2494 C VAL A 160 8.528 0.084 8.918 1.00 0.27 C ATOM 2495 O VAL A 160 9.673 -0.345 8.761 1.00 0.28 O ATOM 2496 CB VAL A 160 8.071 2.487 8.378 1.00 0.37 C ATOM 2497 CG1 VAL A 160 9.542 2.886 8.359 1.00 0.55 C ATOM 2498 CG2 VAL A 160 7.246 3.437 7.524 1.00 0.34 C ATOM 0 H VAL A 160 5.828 1.401 8.018 1.00 0.26 H new ATOM 0 HA VAL A 160 8.379 0.925 6.935 1.00 0.29 H new ATOM 0 HB VAL A 160 7.714 2.555 9.406 1.00 0.37 H new ATOM 0 HG11 VAL A 160 9.644 3.917 8.696 1.00 0.55 H new ATOM 0 HG12 VAL A 160 10.106 2.230 9.023 1.00 0.55 H new ATOM 0 HG13 VAL A 160 9.930 2.796 7.344 1.00 0.55 H new ATOM 0 HG21 VAL A 160 7.389 4.459 7.875 1.00 0.34 H new ATOM 0 HG22 VAL A 160 7.566 3.363 6.485 1.00 0.34 H new ATOM 0 HG23 VAL A 160 6.192 3.171 7.599 1.00 0.34 H new ATOM 2508 N ARG A 161 7.765 -0.255 9.953 1.00 0.26 N ATOM 2509 CA ARG A 161 8.241 -1.160 10.987 1.00 0.28 C ATOM 2510 C ARG A 161 8.351 -2.578 10.434 1.00 0.23 C ATOM 2511 O ARG A 161 9.250 -3.335 10.806 1.00 0.23 O ATOM 2512 CB ARG A 161 7.313 -1.125 12.200 1.00 0.37 C ATOM 2513 CG ARG A 161 7.223 0.251 12.837 1.00 0.51 C ATOM 2514 CD ARG A 161 6.863 0.168 14.310 1.00 0.61 C ATOM 2515 NE ARG A 161 7.112 1.432 14.995 1.00 0.64 N ATOM 2516 CZ ARG A 161 6.163 2.242 15.447 1.00 0.76 C ATOM 2517 NH1 ARG A 161 4.880 1.934 15.303 1.00 0.82 N ATOM 2518 NH2 ARG A 161 6.509 3.376 16.036 1.00 0.90 N ATOM 0 H ARG A 161 6.814 0.085 10.095 1.00 0.26 H new ATOM 0 HA ARG A 161 9.231 -0.834 11.307 1.00 0.28 H new ATOM 0 HB2 ARG A 161 6.316 -1.446 11.898 1.00 0.37 H new ATOM 0 HB3 ARG A 161 7.666 -1.841 12.942 1.00 0.37 H new ATOM 0 HG2 ARG A 161 8.177 0.767 12.724 1.00 0.51 H new ATOM 0 HG3 ARG A 161 6.475 0.846 12.313 1.00 0.51 H new ATOM 0 HD2 ARG A 161 5.812 -0.102 14.414 1.00 0.61 H new ATOM 0 HD3 ARG A 161 7.444 -0.624 14.783 1.00 0.61 H new ATOM 0 HE ARG A 161 8.082 1.712 15.136 1.00 0.64 H new ATOM 0 HH11 ARG A 161 4.613 1.065 14.840 1.00 0.82 H new ATOM 0 HH12 ARG A 161 4.161 2.566 15.655 1.00 0.82 H new ATOM 0 HH21 ARG A 161 7.495 3.618 16.138 1.00 0.90 H new ATOM 0 HH22 ARG A 161 5.790 4.008 16.388 1.00 0.90 H new ATOM 2532 N GLU A 162 7.438 -2.919 9.531 1.00 0.22 N ATOM 2533 CA GLU A 162 7.429 -4.227 8.889 1.00 0.22 C ATOM 2534 C GLU A 162 8.734 -4.445 8.135 1.00 0.21 C ATOM 2535 O GLU A 162 9.309 -5.534 8.158 1.00 0.25 O ATOM 2536 CB GLU A 162 6.244 -4.337 7.925 1.00 0.25 C ATOM 2537 CG GLU A 162 4.917 -4.595 8.619 1.00 0.31 C ATOM 2538 CD GLU A 162 4.917 -5.890 9.402 1.00 0.52 C ATOM 2539 OE1 GLU A 162 5.390 -6.911 8.863 1.00 0.73 O ATOM 2540 OE2 GLU A 162 4.460 -5.893 10.563 1.00 0.68 O ATOM 0 H GLU A 162 6.687 -2.300 9.225 1.00 0.22 H new ATOM 0 HA GLU A 162 7.329 -4.994 9.657 1.00 0.22 H new ATOM 0 HB2 GLU A 162 6.169 -3.415 7.348 1.00 0.25 H new ATOM 0 HB3 GLU A 162 6.436 -5.142 7.216 1.00 0.25 H new ATOM 0 HG2 GLU A 162 4.695 -3.767 9.292 1.00 0.31 H new ATOM 0 HG3 GLU A 162 4.121 -4.623 7.875 1.00 0.31 H new ATOM 2547 N ILE A 163 9.199 -3.387 7.478 1.00 0.20 N ATOM 2548 CA ILE A 163 10.446 -3.440 6.726 1.00 0.23 C ATOM 2549 C ILE A 163 11.630 -3.592 7.676 1.00 0.22 C ATOM 2550 O ILE A 163 12.515 -4.417 7.457 1.00 0.22 O ATOM 2551 CB ILE A 163 10.645 -2.172 5.864 1.00 0.29 C ATOM 2552 CG1 ILE A 163 9.466 -1.989 4.908 1.00 0.27 C ATOM 2553 CG2 ILE A 163 11.957 -2.249 5.090 1.00 0.42 C ATOM 2554 CD1 ILE A 163 9.407 -0.618 4.277 1.00 0.31 C ATOM 0 H ILE A 163 8.730 -2.482 7.452 1.00 0.20 H new ATOM 0 HA ILE A 163 10.390 -4.303 6.063 1.00 0.23 H new ATOM 0 HB ILE A 163 10.691 -1.307 6.526 1.00 0.29 H new ATOM 0 HG12 ILE A 163 9.528 -2.740 4.120 1.00 0.27 H new ATOM 0 HG13 ILE A 163 8.538 -2.171 5.450 1.00 0.27 H new ATOM 0 HG21 ILE A 163 12.079 -1.347 4.490 1.00 0.42 H new ATOM 0 HG22 ILE A 163 12.788 -2.333 5.790 1.00 0.42 H new ATOM 0 HG23 ILE A 163 11.943 -3.121 4.436 1.00 0.42 H new ATOM 0 HD11 ILE A 163 8.546 -0.561 3.611 1.00 0.31 H new ATOM 0 HD12 ILE A 163 9.314 0.138 5.057 1.00 0.31 H new ATOM 0 HD13 ILE A 163 10.319 -0.440 3.707 1.00 0.31 H new ATOM 2566 N ARG A 164 11.616 -2.801 8.746 1.00 0.22 N ATOM 2567 CA ARG A 164 12.679 -2.829 9.750 1.00 0.23 C ATOM 2568 C ARG A 164 12.890 -4.240 10.284 1.00 0.23 C ATOM 2569 O ARG A 164 14.027 -4.683 10.449 1.00 0.25 O ATOM 2570 CB ARG A 164 12.342 -1.898 10.910 1.00 0.26 C ATOM 2571 CG ARG A 164 12.583 -0.429 10.618 1.00 0.33 C ATOM 2572 CD ARG A 164 12.040 0.431 11.742 1.00 0.42 C ATOM 2573 NE ARG A 164 12.479 1.824 11.666 1.00 0.55 N ATOM 2574 CZ ARG A 164 11.951 2.802 12.404 1.00 0.66 C ATOM 2575 NH1 ARG A 164 10.972 2.521 13.260 1.00 0.69 N ATOM 2576 NH2 ARG A 164 12.409 4.045 12.301 1.00 0.87 N ATOM 0 H ARG A 164 10.875 -2.128 8.942 1.00 0.22 H new ATOM 0 HA ARG A 164 13.597 -2.492 9.268 1.00 0.23 H new ATOM 0 HB2 ARG A 164 11.295 -2.036 11.180 1.00 0.26 H new ATOM 0 HB3 ARG A 164 12.936 -2.187 11.777 1.00 0.26 H new ATOM 0 HG2 ARG A 164 13.651 -0.247 10.496 1.00 0.33 H new ATOM 0 HG3 ARG A 164 12.103 -0.155 9.678 1.00 0.33 H new ATOM 0 HD2 ARG A 164 10.951 0.399 11.722 1.00 0.42 H new ATOM 0 HD3 ARG A 164 12.354 0.010 12.697 1.00 0.42 H new ATOM 0 HE ARG A 164 13.228 2.060 11.015 1.00 0.55 H new ATOM 0 HH11 ARG A 164 10.631 1.564 13.348 1.00 0.69 H new ATOM 0 HH12 ARG A 164 10.563 3.263 13.828 1.00 0.69 H new ATOM 0 HH21 ARG A 164 13.169 4.257 11.655 1.00 0.87 H new ATOM 0 HH22 ARG A 164 12.000 4.788 12.868 1.00 0.87 H new ATOM 2590 N LYS A 165 11.782 -4.938 10.532 1.00 0.27 N ATOM 2591 CA LYS A 165 11.828 -6.307 11.041 1.00 0.32 C ATOM 2592 C LYS A 165 12.496 -7.242 10.042 1.00 0.31 C ATOM 2593 O LYS A 165 13.226 -8.149 10.427 1.00 0.33 O ATOM 2594 CB LYS A 165 10.421 -6.812 11.366 1.00 0.43 C ATOM 2595 CG LYS A 165 9.859 -6.232 12.651 1.00 0.87 C ATOM 2596 CD LYS A 165 8.507 -6.829 12.999 1.00 0.97 C ATOM 2597 CE LYS A 165 7.479 -6.559 11.914 1.00 0.74 C ATOM 2598 NZ LYS A 165 6.118 -6.985 12.324 1.00 0.80 N ATOM 0 H LYS A 165 10.839 -4.576 10.388 1.00 0.27 H new ATOM 0 HA LYS A 165 12.420 -6.299 11.956 1.00 0.32 H new ATOM 0 HB2 LYS A 165 9.753 -6.564 10.541 1.00 0.43 H new ATOM 0 HB3 LYS A 165 10.441 -7.899 11.444 1.00 0.43 H new ATOM 0 HG2 LYS A 165 10.557 -6.415 13.468 1.00 0.87 H new ATOM 0 HG3 LYS A 165 9.763 -5.151 12.550 1.00 0.87 H new ATOM 0 HD2 LYS A 165 8.610 -7.904 13.143 1.00 0.97 H new ATOM 0 HD3 LYS A 165 8.157 -6.413 13.944 1.00 0.97 H new ATOM 0 HE2 LYS A 165 7.471 -5.495 11.678 1.00 0.74 H new ATOM 0 HE3 LYS A 165 7.765 -7.085 11.003 1.00 0.74 H new ATOM 0 HZ1 LYS A 165 5.410 -6.390 11.848 1.00 0.80 H new ATOM 0 HZ2 LYS A 165 5.971 -7.979 12.058 1.00 0.80 H new ATOM 0 HZ3 LYS A 165 6.018 -6.884 13.354 1.00 0.80 H new ATOM 2612 N HIS A 166 12.251 -7.011 8.757 1.00 0.31 N ATOM 2613 CA HIS A 166 12.847 -7.829 7.705 1.00 0.32 C ATOM 2614 C HIS A 166 14.350 -7.568 7.614 1.00 0.29 C ATOM 2615 O HIS A 166 15.122 -8.429 7.192 1.00 0.34 O ATOM 2616 CB HIS A 166 12.170 -7.534 6.360 1.00 0.37 C ATOM 2617 CG HIS A 166 12.686 -8.352 5.211 1.00 0.46 C ATOM 2618 ND1 HIS A 166 12.123 -9.549 4.820 1.00 0.60 N ATOM 2619 CD2 HIS A 166 13.719 -8.133 4.360 1.00 0.54 C ATOM 2620 CE1 HIS A 166 12.787 -10.029 3.785 1.00 0.71 C ATOM 2621 NE2 HIS A 166 13.758 -9.187 3.487 1.00 0.67 N ATOM 0 H HIS A 166 11.644 -6.265 8.418 1.00 0.31 H new ATOM 0 HA HIS A 166 12.694 -8.880 7.950 1.00 0.32 H new ATOM 0 HB2 HIS A 166 11.099 -7.708 6.461 1.00 0.37 H new ATOM 0 HB3 HIS A 166 12.301 -6.478 6.125 1.00 0.37 H new ATOM 0 HD1 HIS A 166 11.319 -9.994 5.262 1.00 0.60 H new ATOM 0 HD2 HIS A 166 14.387 -7.284 4.369 1.00 0.54 H new ATOM 0 HE1 HIS A 166 12.572 -10.954 3.270 1.00 0.71 H new ATOM 2630 N LYS A 167 14.757 -6.378 8.026 1.00 0.27 N ATOM 2631 CA LYS A 167 16.159 -5.991 7.990 1.00 0.30 C ATOM 2632 C LYS A 167 16.901 -6.518 9.216 1.00 0.29 C ATOM 2633 O LYS A 167 18.068 -6.903 9.122 1.00 0.40 O ATOM 2634 CB LYS A 167 16.283 -4.472 7.914 1.00 0.37 C ATOM 2635 CG LYS A 167 15.602 -3.870 6.696 1.00 0.45 C ATOM 2636 CD LYS A 167 15.697 -2.352 6.685 1.00 0.62 C ATOM 2637 CE LYS A 167 17.118 -1.881 6.416 1.00 1.11 C ATOM 2638 NZ LYS A 167 17.198 -0.399 6.318 1.00 0.97 N ATOM 0 H LYS A 167 14.132 -5.659 8.391 1.00 0.27 H new ATOM 0 HA LYS A 167 16.612 -6.430 7.101 1.00 0.30 H new ATOM 0 HB2 LYS A 167 15.853 -4.034 8.815 1.00 0.37 H new ATOM 0 HB3 LYS A 167 17.339 -4.201 7.901 1.00 0.37 H new ATOM 0 HG2 LYS A 167 16.059 -4.269 5.790 1.00 0.45 H new ATOM 0 HG3 LYS A 167 14.554 -4.168 6.682 1.00 0.45 H new ATOM 0 HD2 LYS A 167 15.030 -1.951 5.922 1.00 0.62 H new ATOM 0 HD3 LYS A 167 15.358 -1.959 7.644 1.00 0.62 H new ATOM 0 HE2 LYS A 167 17.774 -2.229 7.214 1.00 1.11 H new ATOM 0 HE3 LYS A 167 17.480 -2.327 5.489 1.00 1.11 H new ATOM 0 HZ1 LYS A 167 18.182 -0.116 6.134 1.00 0.97 H new ATOM 0 HZ2 LYS A 167 16.592 -0.069 5.540 1.00 0.97 H new ATOM 0 HZ3 LYS A 167 16.877 0.026 7.211 1.00 0.97 H new ATOM 2652 N GLU A 168 16.213 -6.554 10.352 1.00 0.26 N ATOM 2653 CA GLU A 168 16.810 -7.035 11.595 1.00 0.29 C ATOM 2654 C GLU A 168 16.470 -8.505 11.819 1.00 0.33 C ATOM 2655 O GLU A 168 16.611 -9.026 12.930 1.00 0.47 O ATOM 2656 CB GLU A 168 16.331 -6.202 12.789 1.00 0.35 C ATOM 2657 CG GLU A 168 14.826 -6.265 13.024 1.00 0.42 C ATOM 2658 CD GLU A 168 14.416 -5.686 14.362 1.00 0.63 C ATOM 2659 OE1 GLU A 168 14.498 -6.410 15.378 1.00 0.94 O ATOM 2660 OE2 GLU A 168 14.009 -4.505 14.410 1.00 1.12 O ATOM 0 H GLU A 168 15.241 -6.256 10.439 1.00 0.26 H new ATOM 0 HA GLU A 168 17.892 -6.931 11.509 1.00 0.29 H new ATOM 0 HB2 GLU A 168 16.844 -6.545 13.688 1.00 0.35 H new ATOM 0 HB3 GLU A 168 16.621 -5.163 12.634 1.00 0.35 H new ATOM 0 HG2 GLU A 168 14.316 -5.724 12.227 1.00 0.42 H new ATOM 0 HG3 GLU A 168 14.497 -7.303 12.966 1.00 0.42 H new ATOM 2667 N LYS A 169 16.028 -9.162 10.756 1.00 0.34 N ATOM 2668 CA LYS A 169 15.661 -10.569 10.817 1.00 0.41 C ATOM 2669 C LYS A 169 16.907 -11.443 10.770 1.00 0.59 C ATOM 2670 O LYS A 169 17.736 -11.241 9.858 1.00 0.72 O ATOM 2671 CB LYS A 169 14.725 -10.934 9.662 1.00 0.43 C ATOM 2672 CG LYS A 169 13.539 -11.787 10.088 1.00 0.69 C ATOM 2673 CD LYS A 169 12.618 -12.101 8.916 1.00 0.81 C ATOM 2674 CE LYS A 169 11.411 -12.917 9.364 1.00 1.07 C ATOM 2675 NZ LYS A 169 10.203 -12.071 9.553 1.00 1.47 N ATOM 2676 OXT LYS A 169 17.052 -12.322 11.642 1.00 0.82 O ATOM 0 H LYS A 169 15.914 -8.739 9.835 1.00 0.34 H new ATOM 0 HA LYS A 169 15.139 -10.745 11.758 1.00 0.41 H new ATOM 0 HB2 LYS A 169 14.356 -10.018 9.200 1.00 0.43 H new ATOM 0 HB3 LYS A 169 15.292 -11.469 8.900 1.00 0.43 H new ATOM 0 HG2 LYS A 169 13.899 -12.718 10.526 1.00 0.69 H new ATOM 0 HG3 LYS A 169 12.976 -11.266 10.863 1.00 0.69 H new ATOM 0 HD2 LYS A 169 12.281 -11.172 8.456 1.00 0.81 H new ATOM 0 HD3 LYS A 169 13.170 -12.652 8.154 1.00 0.81 H new ATOM 0 HE2 LYS A 169 11.200 -13.689 8.623 1.00 1.07 H new ATOM 0 HE3 LYS A 169 11.645 -13.427 10.298 1.00 1.07 H new ATOM 0 HZ1 LYS A 169 9.791 -12.259 10.489 1.00 1.47 H new ATOM 0 HZ2 LYS A 169 10.468 -11.068 9.486 1.00 1.47 H new ATOM 0 HZ3 LYS A 169 9.504 -12.294 8.816 1.00 1.47 H new TER 2690 LYS A 169 HETATM 2691 PB GDP A 201 -6.675 5.330 -7.240 1.00 0.41 P HETATM 2692 O1B GDP A 201 -6.919 5.851 -8.603 1.00 0.45 O HETATM 2693 O2B GDP A 201 -7.170 3.980 -6.891 1.00 0.53 O HETATM 2694 O3B GDP A 201 -5.091 5.377 -6.963 1.00 0.37 O HETATM 2695 O3A GDP A 201 -7.232 6.383 -6.158 1.00 0.46 O HETATM 2696 PA GDP A 201 -7.495 7.917 -6.563 1.00 0.42 P HETATM 2697 O1A GDP A 201 -7.306 8.064 -8.023 1.00 0.42 O HETATM 2698 O2A GDP A 201 -6.689 8.767 -5.658 1.00 0.45 O HETATM 2699 O5' GDP A 201 -9.055 8.103 -6.209 1.00 0.44 O HETATM 2700 C5' GDP A 201 -10.053 7.799 -7.185 1.00 0.50 C HETATM 2701 C4' GDP A 201 -11.438 8.160 -6.644 1.00 0.48 C HETATM 2702 O4' GDP A 201 -11.647 7.486 -5.392 1.00 0.46 O HETATM 2703 C3' GDP A 201 -11.500 9.648 -6.326 1.00 0.43 C HETATM 2704 O3' GDP A 201 -12.858 10.113 -6.348 1.00 0.47 O HETATM 2705 C2' GDP A 201 -10.956 9.645 -4.913 1.00 0.34 C HETATM 2706 O2' GDP A 201 -11.266 10.874 -4.236 1.00 0.33 O HETATM 2707 C1' GDP A 201 -11.788 8.499 -4.378 1.00 0.36 C HETATM 2708 N9 GDP A 201 -11.343 8.030 -3.046 1.00 0.31 N HETATM 2709 C8 GDP A 201 -10.140 7.535 -2.764 1.00 0.29 C HETATM 2710 N7 GDP A 201 -10.158 7.124 -1.498 1.00 0.28 N HETATM 2711 C5 GDP A 201 -11.363 7.377 -0.997 1.00 0.28 C HETATM 2712 C6 GDP A 201 -11.859 7.178 0.220 1.00 0.31 C HETATM 2713 O6 GDP A 201 -11.195 6.616 1.088 1.00 0.34 O HETATM 2714 N1 GDP A 201 -13.165 7.589 0.506 1.00 0.38 N HETATM 2715 C2 GDP A 201 -13.908 8.198 -0.509 1.00 0.42 C HETATM 2716 N2 GDP A 201 -15.129 8.666 -0.265 1.00 0.54 N HETATM 2717 N3 GDP A 201 -13.351 8.355 -1.717 1.00 0.38 N HETATM 2718 C4 GDP A 201 -12.095 7.948 -1.952 1.00 0.31 C HETATM 0 HO3' GDP A 201 -12.875 11.063 -6.589 1.00 0.47 H new HETATM 0 HO2' GDP A 201 -11.024 10.796 -3.290 1.00 0.33 H new HETATM 0 HN22 GDP A 201 -15.664 9.109 -1.012 1.00 0.54 H new HETATM 0 HN21 GDP A 201 -15.530 8.582 0.669 1.00 0.54 H new HETATM 0 H5'' GDP A 201 -9.856 8.352 -8.103 1.00 0.50 H new HETATM 0 HN1 GDP A 201 -13.566 7.448 1.433 1.00 0.38 H new HETATM 0 H8 GDP A 201 -9.292 7.477 -3.447 1.00 0.29 H new HETATM 0 H5' GDP A 201 -10.016 6.739 -7.437 1.00 0.50 H new HETATM 0 H4' GDP A 201 -12.179 7.879 -7.393 1.00 0.48 H new HETATM 0 H3' GDP A 201 -10.963 10.292 -7.023 1.00 0.43 H new HETATM 0 H2' GDP A 201 -9.875 9.549 -4.809 1.00 0.34 H new HETATM 0 H1' GDP A 201 -12.825 8.787 -4.205 1.00 0.36 H new HETATM 2731 MG MG A 202 -2.435 6.776 -7.726 1.00 0.45 MG HETATM 2732 C5 QPD A 203 10.523 1.184 -5.235 1.00 0.58 C HETATM 2733 O2 QPD A 203 8.714 6.233 -10.852 1.00 1.67 O HETATM 2734 C16 QPD A 203 9.380 2.712 -14.696 1.00 1.69 C HETATM 2735 C14 QPD A 203 9.904 3.851 -12.640 1.00 0.73 C HETATM 2736 C8 QPD A 203 10.532 3.762 -8.723 1.00 0.50 C HETATM 2737 C4 QPD A 203 10.752 1.948 -6.375 1.00 0.55 C HETATM 2738 N1 QPD A 203 9.057 4.882 -5.902 1.00 0.28 N HETATM 2739 C3 QPD A 203 10.287 4.067 -7.452 1.00 0.44 C HETATM 2740 O1 QPD A 203 10.695 2.594 -9.077 1.00 0.68 O HETATM 2741 C2 QPD A 203 9.566 5.130 -7.107 1.00 0.36 C HETATM 2742 C7 QPD A 203 9.201 2.990 -4.403 1.00 0.37 C HETATM 2743 C12 QPD A 203 8.505 5.055 -11.137 1.00 1.47 C HETATM 2744 C18 QPD A 203 11.096 4.400 -14.661 1.00 1.59 C HETATM 2745 C6 QPD A 203 9.731 1.718 -4.226 1.00 0.50 C HETATM 2746 C11 QPD A 203 9.662 4.065 -11.290 1.00 0.91 C HETATM 2747 C15 QPD A 203 9.158 2.909 -13.336 1.00 1.28 C HETATM 2748 C17 QPD A 203 10.352 3.453 -15.358 1.00 1.84 C HETATM 2749 C19 QPD A 203 10.870 4.601 -13.305 1.00 0.95 C HETATM 2750 C4A QPD A 203 10.215 3.159 -6.484 1.00 0.40 C HETATM 2751 C7A QPD A 203 9.454 3.673 -5.518 1.00 0.29 C HETATM 2752 N9 QPD A 203 10.645 4.815 -9.540 1.00 0.60 N HETATM 2753 N10 QPD A 203 10.853 4.613 -10.625 1.00 0.74 N HETATM 2754 N13 QPD A 203 7.291 4.543 -11.340 1.00 2.26 N