USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 934 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 ASN : amide:sc= -0.0109 X(o=-1.4,f=-1.5) USER MOD Set 1.2: A 102 SER OG : rot 24:sc= -1.35 USER MOD Set 2.1: A 43 LYS NZ :NH3+ 169:sc= 1.23 (180deg=0) USER MOD Set 2.2: A 44 GLN : amide:sc= 0.664 K(o=1.9,f=-14!) USER MOD Single : A 1 GLY N :NH3+ 170:sc= 0 (180deg=-0.1) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.00437 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.772 K(o=-0.77,f=-3.4!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -162:sc=-0.00815 (180deg=-0.163) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.0713 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -7.1! C(o=-7.1!,f=-10!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -17.3! C(o=-17!,f=-19!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 CYS SG : rot 47:sc= -0.81 USER MOD Single : A 50 HIS : no HE2:sc= -1.23 K(o=-1.2,f=-3.7!) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.531 F(o=-3.5,f=-0.53) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -1.2 K(o=-1.2,f=-2.5!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot -160:sc= -0.688 USER MOD Single : A 61 SER OG : rot 54:sc= 1.03 USER MOD Single : A 63 THR OG1 : rot -89:sc= -5.73! USER MOD Single : A 74 HIS : no HD1:sc= -11.8! C(o=-12!,f=-14!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= 0.216 K(o=0.22,f=-1.9!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.17 USER MOD Single : A 94 ASN : amide:sc= -0.0504 X(o=-0.05,f=-0.24) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS :FLIP no HD1:sc= -21.1! C(o=-22!,f=-21!) USER MOD Single : A 101 ASN : amide:sc= -0.0303 K(o=-0.03,f=-3.1!) USER MOD Single : A 103 THR OG1 : rot 150:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -36.664 14.711 9.197 1.00 0.00 N ATOM 2 CA GLY A 1 -37.799 15.615 9.282 1.00 0.00 C ATOM 3 C GLY A 1 -37.344 17.074 9.215 1.00 0.00 C ATOM 4 O GLY A 1 -37.822 17.913 9.977 1.00 0.00 O ATOM 0 H1 GLY A 1 -36.975 13.742 9.413 1.00 0.00 H new ATOM 0 H2 GLY A 1 -36.267 14.741 8.236 1.00 0.00 H new ATOM 0 H3 GLY A 1 -35.937 15.002 9.881 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -38.494 15.409 8.468 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -38.338 15.441 10.213 1.00 0.00 H new ATOM 8 N ILE A 2 -36.424 17.332 8.297 1.00 0.00 N ATOM 9 CA ILE A 2 -35.899 18.675 8.120 1.00 0.00 C ATOM 10 C ILE A 2 -35.410 19.208 9.468 1.00 0.00 C ATOM 11 O ILE A 2 -35.963 20.170 9.998 1.00 0.00 O ATOM 12 CB ILE A 2 -36.938 19.572 7.445 1.00 0.00 C ATOM 13 CG1 ILE A 2 -37.093 19.215 5.965 1.00 0.00 C ATOM 14 CG2 ILE A 2 -36.599 21.051 7.645 1.00 0.00 C ATOM 15 CD1 ILE A 2 -35.741 19.244 5.250 1.00 0.00 C ATOM 0 H ILE A 2 -36.029 16.633 7.668 1.00 0.00 H new ATOM 0 HA ILE A 2 -35.039 18.663 7.450 1.00 0.00 H new ATOM 0 HB ILE A 2 -37.902 19.395 7.922 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -37.537 18.224 5.871 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -37.776 19.917 5.487 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -37.353 21.667 7.155 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -36.580 21.279 8.711 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -35.621 21.262 7.212 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -35.879 18.987 4.200 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -35.311 20.243 5.325 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -35.068 18.523 5.715 1.00 0.00 H new ATOM 27 N PRO A 3 -34.350 18.541 10.000 1.00 0.00 N ATOM 28 CA PRO A 3 -33.779 18.938 11.276 1.00 0.00 C ATOM 29 C PRO A 3 -32.949 20.215 11.132 1.00 0.00 C ATOM 30 O PRO A 3 -33.114 20.962 10.170 1.00 0.00 O ATOM 31 CB PRO A 3 -32.957 17.742 11.728 1.00 0.00 C ATOM 32 CG PRO A 3 -32.719 16.905 10.482 1.00 0.00 C ATOM 33 CD PRO A 3 -33.668 17.397 9.401 1.00 0.00 C ATOM 0 HA PRO A 3 -34.538 19.186 12.018 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -32.013 18.061 12.170 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -33.487 17.169 12.488 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -31.684 16.997 10.152 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -32.894 15.850 10.692 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -33.127 17.686 8.500 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -34.376 16.620 9.112 1.00 0.00 H new ATOM 41 N ASP A 4 -32.073 20.425 12.104 1.00 0.00 N ATOM 42 CA ASP A 4 -31.217 21.599 12.098 1.00 0.00 C ATOM 43 C ASP A 4 -30.163 21.450 10.999 1.00 0.00 C ATOM 44 O ASP A 4 -29.902 20.344 10.530 1.00 0.00 O ATOM 45 CB ASP A 4 -30.487 21.755 13.434 1.00 0.00 C ATOM 46 CG ASP A 4 -30.096 23.190 13.794 1.00 0.00 C ATOM 47 OD1 ASP A 4 -31.026 23.979 14.069 1.00 0.00 O ATOM 48 OD2 ASP A 4 -28.877 23.465 13.785 1.00 0.00 O ATOM 0 H ASP A 4 -31.938 19.802 12.900 1.00 0.00 H new ATOM 0 HA ASP A 4 -31.845 22.473 11.925 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -31.122 21.358 14.226 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -29.585 21.143 13.412 1.00 0.00 H new ATOM 53 N LEU A 5 -29.587 22.582 10.618 1.00 0.00 N ATOM 54 CA LEU A 5 -28.569 22.591 9.583 1.00 0.00 C ATOM 55 C LEU A 5 -29.236 22.426 8.216 1.00 0.00 C ATOM 56 O LEU A 5 -28.564 22.151 7.223 1.00 0.00 O ATOM 57 CB LEU A 5 -27.497 21.539 9.875 1.00 0.00 C ATOM 58 CG LEU A 5 -27.304 21.170 11.347 1.00 0.00 C ATOM 59 CD1 LEU A 5 -27.606 19.689 11.586 1.00 0.00 C ATOM 60 CD2 LEU A 5 -25.903 21.554 11.830 1.00 0.00 C ATOM 0 H LEU A 5 -29.807 23.498 11.008 1.00 0.00 H new ATOM 0 HA LEU A 5 -28.048 23.548 9.571 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -27.746 20.633 9.323 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -26.546 21.900 9.483 1.00 0.00 H new ATOM 0 HG LEU A 5 -28.017 21.744 11.939 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -27.461 19.454 12.640 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -28.638 19.478 11.306 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -26.934 19.079 10.982 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -25.792 21.281 12.879 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -25.156 21.026 11.237 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -25.761 22.629 11.718 1.00 0.00 H new ATOM 72 N VAL A 6 -30.549 22.601 8.209 1.00 0.00 N ATOM 73 CA VAL A 6 -31.314 22.475 6.980 1.00 0.00 C ATOM 74 C VAL A 6 -31.260 23.797 6.212 1.00 0.00 C ATOM 75 O VAL A 6 -31.432 23.820 4.994 1.00 0.00 O ATOM 76 CB VAL A 6 -32.742 22.026 7.296 1.00 0.00 C ATOM 77 CG1 VAL A 6 -33.685 22.333 6.131 1.00 0.00 C ATOM 78 CG2 VAL A 6 -32.782 20.539 7.656 1.00 0.00 C ATOM 0 H VAL A 6 -31.103 22.829 9.035 1.00 0.00 H new ATOM 0 HA VAL A 6 -30.880 21.708 6.338 1.00 0.00 H new ATOM 0 HB VAL A 6 -33.086 22.591 8.163 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -34.693 22.004 6.382 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -33.691 23.406 5.941 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -33.344 21.808 5.239 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -33.808 20.245 7.876 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -32.409 19.951 6.817 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -32.158 20.360 8.531 1.00 0.00 H new ATOM 88 N LYS A 7 -31.020 24.867 6.956 1.00 0.00 N ATOM 89 CA LYS A 7 -30.940 26.190 6.361 1.00 0.00 C ATOM 90 C LYS A 7 -29.578 26.360 5.685 1.00 0.00 C ATOM 91 O LYS A 7 -29.163 27.480 5.390 1.00 0.00 O ATOM 92 CB LYS A 7 -31.248 27.266 7.404 1.00 0.00 C ATOM 93 CG LYS A 7 -32.472 26.886 8.240 1.00 0.00 C ATOM 94 CD LYS A 7 -33.734 26.844 7.376 1.00 0.00 C ATOM 95 CE LYS A 7 -34.256 28.255 7.099 1.00 0.00 C ATOM 96 NZ LYS A 7 -34.793 28.348 5.723 1.00 0.00 N ATOM 0 H LYS A 7 -30.878 24.844 7.966 1.00 0.00 H new ATOM 0 HA LYS A 7 -31.697 26.305 5.585 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -30.386 27.402 8.057 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -31.425 28.220 6.906 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -32.312 25.913 8.704 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -32.603 27.606 9.047 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -33.517 26.341 6.434 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -34.504 26.260 7.879 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -35.035 28.508 7.818 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -33.452 28.979 7.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -35.143 29.312 5.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -34.040 28.127 5.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -35.574 27.671 5.609 1.00 0.00 H new ATOM 110 N GLY A 8 -28.920 25.232 5.459 1.00 0.00 N ATOM 111 CA GLY A 8 -27.614 25.242 4.824 1.00 0.00 C ATOM 112 C GLY A 8 -26.921 23.886 4.973 1.00 0.00 C ATOM 113 O GLY A 8 -25.909 23.774 5.663 1.00 0.00 O ATOM 0 H GLY A 8 -29.268 24.305 5.705 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -27.722 25.485 3.767 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -26.995 26.021 5.269 1.00 0.00 H new ATOM 117 N PRO A 9 -27.510 22.863 4.298 1.00 0.00 N ATOM 118 CA PRO A 9 -26.960 21.519 4.348 1.00 0.00 C ATOM 119 C PRO A 9 -25.700 21.409 3.487 1.00 0.00 C ATOM 120 O PRO A 9 -25.741 21.669 2.286 1.00 0.00 O ATOM 121 CB PRO A 9 -28.086 20.615 3.872 1.00 0.00 C ATOM 122 CG PRO A 9 -29.061 21.518 3.134 1.00 0.00 C ATOM 123 CD PRO A 9 -28.709 22.958 3.471 1.00 0.00 C ATOM 0 HA PRO A 9 -26.635 21.235 5.349 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -27.707 19.831 3.216 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -28.572 20.120 4.713 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -28.997 21.351 2.059 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -30.086 21.296 3.431 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -28.523 23.541 2.569 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -29.521 23.449 4.006 1.00 0.00 H new ATOM 131 N TRP A 10 -24.611 21.023 4.135 1.00 0.00 N ATOM 132 CA TRP A 10 -23.342 20.875 3.444 1.00 0.00 C ATOM 133 C TRP A 10 -23.341 19.515 2.742 1.00 0.00 C ATOM 134 O TRP A 10 -24.216 18.686 2.987 1.00 0.00 O ATOM 135 CB TRP A 10 -22.168 21.050 4.409 1.00 0.00 C ATOM 136 CG TRP A 10 -22.164 22.389 5.148 1.00 0.00 C ATOM 137 CD1 TRP A 10 -23.173 22.965 5.817 1.00 0.00 C ATOM 138 CD2 TRP A 10 -21.053 23.303 5.268 1.00 0.00 C ATOM 139 NE1 TRP A 10 -22.795 24.178 6.356 1.00 0.00 N ATOM 140 CE2 TRP A 10 -21.465 24.390 6.012 1.00 0.00 C ATOM 141 CE3 TRP A 10 -19.744 23.213 4.764 1.00 0.00 C ATOM 142 CZ2 TRP A 10 -20.628 25.470 6.319 1.00 0.00 C ATOM 143 CZ3 TRP A 10 -18.920 24.301 5.079 1.00 0.00 C ATOM 144 CH2 TRP A 10 -19.319 25.402 5.827 1.00 0.00 C ATOM 0 H TRP A 10 -24.581 20.808 5.132 1.00 0.00 H new ATOM 0 HA TRP A 10 -23.220 21.655 2.692 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -22.189 20.243 5.141 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -21.236 20.951 3.853 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -24.158 22.534 5.921 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -23.383 24.804 6.906 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -19.401 22.372 4.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -20.974 26.310 6.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -17.903 24.283 4.715 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -18.622 26.202 6.028 1.00 0.00 H new ATOM 155 N THR A 11 -22.349 19.329 1.883 1.00 0.00 N ATOM 156 CA THR A 11 -22.223 18.084 1.144 1.00 0.00 C ATOM 157 C THR A 11 -20.757 17.816 0.798 1.00 0.00 C ATOM 158 O THR A 11 -19.858 18.430 1.369 1.00 0.00 O ATOM 159 CB THR A 11 -23.132 18.169 -0.083 1.00 0.00 C ATOM 160 OG1 THR A 11 -22.434 19.036 -0.973 1.00 0.00 O ATOM 161 CG2 THR A 11 -24.441 18.907 0.207 1.00 0.00 C ATOM 0 H THR A 11 -21.625 20.019 1.682 1.00 0.00 H new ATOM 0 HA THR A 11 -22.543 17.233 1.745 1.00 0.00 H new ATOM 0 HB THR A 11 -23.354 17.163 -0.440 1.00 0.00 H new ATOM 0 HG1 THR A 11 -22.953 19.145 -1.797 1.00 0.00 H new ATOM 0 HG21 THR A 11 -25.049 18.939 -0.697 1.00 0.00 H new ATOM 0 HG22 THR A 11 -24.987 18.385 0.993 1.00 0.00 H new ATOM 0 HG23 THR A 11 -24.221 19.924 0.532 1.00 0.00 H new ATOM 169 N LYS A 12 -20.562 16.898 -0.138 1.00 0.00 N ATOM 170 CA LYS A 12 -19.221 16.541 -0.567 1.00 0.00 C ATOM 171 C LYS A 12 -18.508 17.790 -1.090 1.00 0.00 C ATOM 172 O LYS A 12 -17.297 17.933 -0.925 1.00 0.00 O ATOM 173 CB LYS A 12 -19.270 15.393 -1.577 1.00 0.00 C ATOM 174 CG LYS A 12 -17.860 14.922 -1.941 1.00 0.00 C ATOM 175 CD LYS A 12 -17.723 13.409 -1.755 1.00 0.00 C ATOM 176 CE LYS A 12 -18.061 12.665 -3.048 1.00 0.00 C ATOM 177 NZ LYS A 12 -17.573 11.269 -2.986 1.00 0.00 N ATOM 0 H LYS A 12 -21.310 16.391 -0.611 1.00 0.00 H new ATOM 0 HA LYS A 12 -18.638 16.170 0.275 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -19.839 14.562 -1.161 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -19.792 15.718 -2.477 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -17.640 15.186 -2.975 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.128 15.436 -1.318 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -16.706 13.167 -1.448 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -18.385 13.076 -0.956 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -19.139 12.673 -3.208 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -17.609 13.177 -3.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -17.811 10.778 -3.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -16.541 11.267 -2.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -18.024 10.779 -2.187 1.00 0.00 H new ATOM 191 N GLU A 13 -19.289 18.662 -1.709 1.00 0.00 N ATOM 192 CA GLU A 13 -18.748 19.894 -2.257 1.00 0.00 C ATOM 193 C GLU A 13 -17.903 20.616 -1.206 1.00 0.00 C ATOM 194 O GLU A 13 -16.675 20.604 -1.275 1.00 0.00 O ATOM 195 CB GLU A 13 -19.865 20.800 -2.779 1.00 0.00 C ATOM 196 CG GLU A 13 -19.426 21.537 -4.046 1.00 0.00 C ATOM 197 CD GLU A 13 -19.410 23.050 -3.823 1.00 0.00 C ATOM 198 OE1 GLU A 13 -20.510 23.603 -3.605 1.00 0.00 O ATOM 199 OE2 GLU A 13 -18.299 23.620 -3.874 1.00 0.00 O ATOM 0 H GLU A 13 -20.293 18.540 -1.843 1.00 0.00 H new ATOM 0 HA GLU A 13 -18.106 19.642 -3.101 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -20.753 20.204 -2.990 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -20.141 21.522 -2.011 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -18.433 21.199 -4.342 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -20.103 21.294 -4.865 1.00 0.00 H new ATOM 206 N GLU A 14 -18.594 21.229 -0.256 1.00 0.00 N ATOM 207 CA GLU A 14 -17.923 21.955 0.809 1.00 0.00 C ATOM 208 C GLU A 14 -16.849 21.077 1.455 1.00 0.00 C ATOM 209 O GLU A 14 -15.760 21.553 1.769 1.00 0.00 O ATOM 210 CB GLU A 14 -18.926 22.451 1.852 1.00 0.00 C ATOM 211 CG GLU A 14 -19.971 23.370 1.214 1.00 0.00 C ATOM 212 CD GLU A 14 -19.351 24.710 0.814 1.00 0.00 C ATOM 213 OE1 GLU A 14 -18.114 24.825 0.944 1.00 0.00 O ATOM 214 OE2 GLU A 14 -20.130 25.590 0.388 1.00 0.00 O ATOM 0 H GLU A 14 -19.613 21.238 -0.202 1.00 0.00 H new ATOM 0 HA GLU A 14 -17.438 22.830 0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -19.422 21.600 2.319 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -18.400 22.986 2.642 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.398 22.886 0.336 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -20.789 23.538 1.915 1.00 0.00 H new ATOM 221 N ASP A 15 -17.195 19.811 1.634 1.00 0.00 N ATOM 222 CA ASP A 15 -16.274 18.862 2.237 1.00 0.00 C ATOM 223 C ASP A 15 -15.043 18.713 1.341 1.00 0.00 C ATOM 224 O ASP A 15 -13.945 18.447 1.828 1.00 0.00 O ATOM 225 CB ASP A 15 -16.922 17.483 2.383 1.00 0.00 C ATOM 226 CG ASP A 15 -18.210 17.458 3.208 1.00 0.00 C ATOM 227 OD1 ASP A 15 -18.277 18.242 4.180 1.00 0.00 O ATOM 228 OD2 ASP A 15 -19.099 16.656 2.848 1.00 0.00 O ATOM 0 H ASP A 15 -18.100 19.420 1.372 1.00 0.00 H new ATOM 0 HA ASP A 15 -15.999 19.238 3.222 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -17.138 17.092 1.389 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -16.201 16.806 2.842 1.00 0.00 H new ATOM 233 N GLN A 16 -15.266 18.892 0.047 1.00 0.00 N ATOM 234 CA GLN A 16 -14.188 18.781 -0.921 1.00 0.00 C ATOM 235 C GLN A 16 -13.180 19.915 -0.725 1.00 0.00 C ATOM 236 O GLN A 16 -12.008 19.775 -1.071 1.00 0.00 O ATOM 237 CB GLN A 16 -14.734 18.773 -2.350 1.00 0.00 C ATOM 238 CG GLN A 16 -14.795 20.191 -2.921 1.00 0.00 C ATOM 239 CD GLN A 16 -13.666 20.427 -3.926 1.00 0.00 C ATOM 240 OE1 GLN A 16 -12.536 20.720 -3.571 1.00 0.00 O ATOM 241 NE2 GLN A 16 -14.033 20.285 -5.196 1.00 0.00 N ATOM 0 H GLN A 16 -16.178 19.113 -0.354 1.00 0.00 H new ATOM 0 HA GLN A 16 -13.675 17.833 -0.758 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -14.101 18.150 -2.982 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -15.730 18.330 -2.360 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -15.758 20.350 -3.406 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.723 20.916 -2.111 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.996 20.038 -5.424 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -13.351 20.423 -5.942 1.00 0.00 H new ATOM 250 N LYS A 17 -13.672 21.012 -0.169 1.00 0.00 N ATOM 251 CA LYS A 17 -12.829 22.169 0.077 1.00 0.00 C ATOM 252 C LYS A 17 -11.809 21.829 1.165 1.00 0.00 C ATOM 253 O LYS A 17 -10.607 22.006 0.971 1.00 0.00 O ATOM 254 CB LYS A 17 -13.684 23.397 0.398 1.00 0.00 C ATOM 255 CG LYS A 17 -12.972 24.685 -0.020 1.00 0.00 C ATOM 256 CD LYS A 17 -13.530 25.891 0.739 1.00 0.00 C ATOM 257 CE LYS A 17 -13.449 27.160 -0.111 1.00 0.00 C ATOM 258 NZ LYS A 17 -13.300 28.353 0.751 1.00 0.00 N ATOM 0 H LYS A 17 -14.644 21.124 0.118 1.00 0.00 H new ATOM 0 HA LYS A 17 -12.266 22.427 -0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -14.641 23.323 -0.118 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -13.899 23.426 1.466 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.903 24.593 0.172 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -13.091 24.839 -1.093 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -14.567 25.702 1.018 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.972 26.033 1.664 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.605 27.092 -0.797 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -14.348 27.254 -0.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.247 29.205 0.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -14.119 28.425 1.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.430 28.268 1.314 1.00 0.00 H new ATOM 272 N VAL A 18 -12.325 21.347 2.286 1.00 0.00 N ATOM 273 CA VAL A 18 -11.474 20.980 3.405 1.00 0.00 C ATOM 274 C VAL A 18 -10.331 20.095 2.902 1.00 0.00 C ATOM 275 O VAL A 18 -9.165 20.352 3.200 1.00 0.00 O ATOM 276 CB VAL A 18 -12.308 20.313 4.501 1.00 0.00 C ATOM 277 CG1 VAL A 18 -11.421 19.504 5.449 1.00 0.00 C ATOM 278 CG2 VAL A 18 -13.132 21.348 5.269 1.00 0.00 C ATOM 0 H VAL A 18 -13.322 21.202 2.443 1.00 0.00 H new ATOM 0 HA VAL A 18 -11.026 21.868 3.851 1.00 0.00 H new ATOM 0 HB VAL A 18 -13.002 19.622 4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -12.039 19.040 6.218 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.899 18.729 4.887 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.692 20.165 5.918 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.715 20.848 6.042 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.464 22.074 5.732 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -13.805 21.860 4.581 1.00 0.00 H new ATOM 288 N ILE A 19 -10.705 19.072 2.149 1.00 0.00 N ATOM 289 CA ILE A 19 -9.725 18.148 1.602 1.00 0.00 C ATOM 290 C ILE A 19 -8.723 18.923 0.744 1.00 0.00 C ATOM 291 O ILE A 19 -7.521 18.675 0.811 1.00 0.00 O ATOM 292 CB ILE A 19 -10.422 17.009 0.856 1.00 0.00 C ATOM 293 CG1 ILE A 19 -10.997 15.983 1.835 1.00 0.00 C ATOM 294 CG2 ILE A 19 -9.480 16.363 -0.163 1.00 0.00 C ATOM 295 CD1 ILE A 19 -11.528 16.667 3.096 1.00 0.00 C ATOM 0 H ILE A 19 -11.673 18.862 1.904 1.00 0.00 H new ATOM 0 HA ILE A 19 -9.159 17.674 2.404 1.00 0.00 H new ATOM 0 HB ILE A 19 -11.260 17.428 0.299 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -11.801 15.426 1.353 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -10.226 15.261 2.105 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.000 15.556 -0.679 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.160 17.111 -0.888 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.608 15.961 0.352 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.931 15.916 3.775 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -10.717 17.203 3.588 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -12.315 17.370 2.824 1.00 0.00 H new ATOM 307 N GLU A 20 -9.256 19.846 -0.044 1.00 0.00 N ATOM 308 CA GLU A 20 -8.424 20.658 -0.914 1.00 0.00 C ATOM 309 C GLU A 20 -7.701 21.736 -0.103 1.00 0.00 C ATOM 310 O GLU A 20 -6.787 22.388 -0.606 1.00 0.00 O ATOM 311 CB GLU A 20 -9.252 21.282 -2.040 1.00 0.00 C ATOM 312 CG GLU A 20 -9.378 20.322 -3.224 1.00 0.00 C ATOM 313 CD GLU A 20 -8.123 20.363 -4.099 1.00 0.00 C ATOM 314 OE1 GLU A 20 -7.171 19.629 -3.760 1.00 0.00 O ATOM 315 OE2 GLU A 20 -8.145 21.128 -5.087 1.00 0.00 O ATOM 0 H GLU A 20 -10.254 20.049 -0.097 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.675 20.013 -1.373 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -10.244 21.538 -1.668 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.785 22.211 -2.368 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.538 19.308 -2.859 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -10.251 20.587 -3.821 1.00 0.00 H new ATOM 322 N LEU A 21 -8.138 21.889 1.138 1.00 0.00 N ATOM 323 CA LEU A 21 -7.545 22.877 2.023 1.00 0.00 C ATOM 324 C LEU A 21 -6.283 22.290 2.661 1.00 0.00 C ATOM 325 O LEU A 21 -5.224 22.915 2.639 1.00 0.00 O ATOM 326 CB LEU A 21 -8.574 23.372 3.041 1.00 0.00 C ATOM 327 CG LEU A 21 -9.392 24.597 2.624 1.00 0.00 C ATOM 328 CD1 LEU A 21 -10.837 24.484 3.116 1.00 0.00 C ATOM 329 CD2 LEU A 21 -8.725 25.889 3.099 1.00 0.00 C ATOM 0 H LEU A 21 -8.896 21.346 1.552 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.239 23.758 1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -9.263 22.556 3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -8.054 23.606 3.970 1.00 0.00 H new ATOM 0 HG LEU A 21 -9.424 24.632 1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -11.397 25.367 2.807 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.298 23.594 2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -10.846 24.411 4.204 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.326 26.744 2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.642 25.878 4.186 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.730 25.967 2.660 1.00 0.00 H new ATOM 341 N VAL A 22 -6.439 21.097 3.215 1.00 0.00 N ATOM 342 CA VAL A 22 -5.326 20.419 3.858 1.00 0.00 C ATOM 343 C VAL A 22 -4.261 20.089 2.810 1.00 0.00 C ATOM 344 O VAL A 22 -3.079 19.983 3.133 1.00 0.00 O ATOM 345 CB VAL A 22 -5.828 19.184 4.609 1.00 0.00 C ATOM 346 CG1 VAL A 22 -4.778 18.682 5.602 1.00 0.00 C ATOM 347 CG2 VAL A 22 -7.155 19.474 5.314 1.00 0.00 C ATOM 0 H VAL A 22 -7.319 20.582 3.232 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.862 21.068 4.601 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.002 18.394 3.878 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.160 17.804 6.122 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.867 18.418 5.065 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.558 19.466 6.327 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.490 18.580 5.840 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.018 20.286 6.028 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.904 19.763 4.576 1.00 0.00 H new ATOM 357 N LYS A 23 -4.719 19.937 1.576 1.00 0.00 N ATOM 358 CA LYS A 23 -3.820 19.621 0.478 1.00 0.00 C ATOM 359 C LYS A 23 -3.022 20.872 0.103 1.00 0.00 C ATOM 360 O LYS A 23 -1.824 20.791 -0.162 1.00 0.00 O ATOM 361 CB LYS A 23 -4.596 19.013 -0.692 1.00 0.00 C ATOM 362 CG LYS A 23 -4.455 17.490 -0.710 1.00 0.00 C ATOM 363 CD LYS A 23 -3.713 17.023 -1.964 1.00 0.00 C ATOM 364 CE LYS A 23 -3.988 15.544 -2.245 1.00 0.00 C ATOM 365 NZ LYS A 23 -4.591 15.375 -3.586 1.00 0.00 N ATOM 0 H LYS A 23 -5.700 20.027 1.312 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.100 18.861 0.781 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.649 19.284 -0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.229 19.427 -1.631 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.917 17.160 0.179 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.442 17.029 -0.674 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.023 17.623 -2.819 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.642 17.180 -1.837 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.059 14.977 -2.183 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -4.658 15.142 -1.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.771 14.366 -3.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.488 15.900 -3.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.938 15.740 -4.309 1.00 0.00 H new ATOM 379 N LYS A 24 -3.719 21.999 0.092 1.00 0.00 N ATOM 380 CA LYS A 24 -3.090 23.264 -0.247 1.00 0.00 C ATOM 381 C LYS A 24 -2.363 23.812 0.983 1.00 0.00 C ATOM 382 O LYS A 24 -1.436 24.611 0.855 1.00 0.00 O ATOM 383 CB LYS A 24 -4.118 24.232 -0.836 1.00 0.00 C ATOM 384 CG LYS A 24 -3.458 25.200 -1.820 1.00 0.00 C ATOM 385 CD LYS A 24 -3.333 26.599 -1.214 1.00 0.00 C ATOM 386 CE LYS A 24 -4.631 27.389 -1.387 1.00 0.00 C ATOM 387 NZ LYS A 24 -4.787 27.828 -2.791 1.00 0.00 N ATOM 0 H LYS A 24 -4.713 22.062 0.312 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.339 23.121 -1.024 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.903 23.671 -1.343 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.596 24.793 -0.033 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.470 24.829 -2.093 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.045 25.248 -2.737 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.090 26.520 -0.154 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.511 27.134 -1.691 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.481 26.772 -1.096 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -4.626 28.256 -0.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.484 28.599 -2.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.872 28.166 -3.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.115 27.029 -3.370 1.00 0.00 H new ATOM 401 N TYR A 25 -2.811 23.362 2.146 1.00 0.00 N ATOM 402 CA TYR A 25 -2.215 23.798 3.397 1.00 0.00 C ATOM 403 C TYR A 25 -1.005 22.934 3.758 1.00 0.00 C ATOM 404 O TYR A 25 0.100 23.446 3.927 1.00 0.00 O ATOM 405 CB TYR A 25 -3.295 23.614 4.465 1.00 0.00 C ATOM 406 CG TYR A 25 -4.313 24.755 4.523 1.00 0.00 C ATOM 407 CD1 TYR A 25 -4.554 25.522 3.401 1.00 0.00 C ATOM 408 CD2 TYR A 25 -4.991 25.016 5.696 1.00 0.00 C ATOM 409 CE1 TYR A 25 -5.513 26.596 3.455 1.00 0.00 C ATOM 410 CE2 TYR A 25 -5.950 26.090 5.750 1.00 0.00 C ATOM 411 CZ TYR A 25 -6.163 26.826 4.627 1.00 0.00 C ATOM 412 OH TYR A 25 -7.068 27.840 4.679 1.00 0.00 O ATOM 0 H TYR A 25 -3.580 22.700 2.248 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.874 24.830 3.321 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -3.823 22.679 4.276 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -2.816 23.518 5.439 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.024 25.317 2.483 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.803 24.415 6.574 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.711 27.204 2.585 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.487 26.305 6.662 1.00 0.00 H new ATOM 0 HH TYR A 25 -7.455 27.887 5.578 1.00 0.00 H new ATOM 422 N GLY A 26 -1.256 21.637 3.866 1.00 0.00 N ATOM 423 CA GLY A 26 -0.201 20.697 4.204 1.00 0.00 C ATOM 424 C GLY A 26 0.833 21.342 5.128 1.00 0.00 C ATOM 425 O GLY A 26 1.766 21.994 4.662 1.00 0.00 O ATOM 0 H GLY A 26 -2.174 21.216 3.725 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.631 19.821 4.689 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.287 20.349 3.293 1.00 0.00 H new ATOM 429 N THR A 27 0.633 21.138 6.422 1.00 0.00 N ATOM 430 CA THR A 27 1.536 21.692 7.416 1.00 0.00 C ATOM 431 C THR A 27 1.145 21.216 8.816 1.00 0.00 C ATOM 432 O THR A 27 1.948 20.595 9.512 1.00 0.00 O ATOM 433 CB THR A 27 1.527 23.214 7.267 1.00 0.00 C ATOM 434 OG1 THR A 27 2.049 23.688 8.506 1.00 0.00 O ATOM 435 CG2 THR A 27 0.110 23.789 7.215 1.00 0.00 C ATOM 0 H THR A 27 -0.142 20.596 6.805 1.00 0.00 H new ATOM 0 HA THR A 27 2.557 21.342 7.262 1.00 0.00 H new ATOM 0 HB THR A 27 2.065 23.493 6.361 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.079 24.667 8.495 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.161 24.873 7.109 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.423 23.366 6.364 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.418 23.539 8.135 1.00 0.00 H new ATOM 443 N LYS A 28 -0.088 21.524 9.188 1.00 0.00 N ATOM 444 CA LYS A 28 -0.596 21.136 10.493 1.00 0.00 C ATOM 445 C LYS A 28 -1.941 21.822 10.737 1.00 0.00 C ATOM 446 O LYS A 28 -2.174 22.374 11.812 1.00 0.00 O ATOM 447 CB LYS A 28 0.445 21.418 11.578 1.00 0.00 C ATOM 448 CG LYS A 28 0.824 20.135 12.322 1.00 0.00 C ATOM 449 CD LYS A 28 2.288 19.770 12.074 1.00 0.00 C ATOM 450 CE LYS A 28 2.401 18.473 11.271 1.00 0.00 C ATOM 451 NZ LYS A 28 3.341 17.537 11.928 1.00 0.00 N ATOM 0 H LYS A 28 -0.751 22.038 8.608 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.776 20.062 10.528 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.335 21.858 11.128 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.051 22.149 12.284 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.654 20.266 13.391 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.181 19.318 11.995 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.782 20.579 11.536 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.805 19.658 13.027 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.419 18.008 11.180 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.744 18.693 10.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.406 16.662 11.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.281 17.977 11.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.997 17.313 12.884 1.00 0.00 H new ATOM 465 N GLN A 29 -2.791 21.766 9.723 1.00 0.00 N ATOM 466 CA GLN A 29 -4.107 22.376 9.814 1.00 0.00 C ATOM 467 C GLN A 29 -5.194 21.299 9.791 1.00 0.00 C ATOM 468 O GLN A 29 -5.617 20.862 8.722 1.00 0.00 O ATOM 469 CB GLN A 29 -4.319 23.393 8.691 1.00 0.00 C ATOM 470 CG GLN A 29 -3.860 24.787 9.120 1.00 0.00 C ATOM 471 CD GLN A 29 -2.333 24.890 9.109 1.00 0.00 C ATOM 472 OE1 GLN A 29 -1.638 24.268 9.896 1.00 0.00 O ATOM 473 NE2 GLN A 29 -1.852 25.706 8.176 1.00 0.00 N ATOM 0 H GLN A 29 -2.594 21.307 8.833 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.173 22.911 10.761 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.767 23.081 7.804 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.373 23.422 8.416 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.283 25.535 8.450 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.235 25.006 10.120 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.490 26.196 7.549 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.845 25.842 8.087 1.00 0.00 H new ATOM 482 N TRP A 30 -5.614 20.902 10.983 1.00 0.00 N ATOM 483 CA TRP A 30 -6.643 19.885 11.113 1.00 0.00 C ATOM 484 C TRP A 30 -7.870 20.533 11.759 1.00 0.00 C ATOM 485 O TRP A 30 -8.911 19.894 11.901 1.00 0.00 O ATOM 486 CB TRP A 30 -6.124 18.677 11.895 1.00 0.00 C ATOM 487 CG TRP A 30 -5.491 17.594 11.019 1.00 0.00 C ATOM 488 CD1 TRP A 30 -4.200 17.241 10.947 1.00 0.00 C ATOM 489 CD2 TRP A 30 -6.178 16.731 10.088 1.00 0.00 C ATOM 490 NE1 TRP A 30 -4.005 16.218 10.041 1.00 0.00 N ATOM 491 CE2 TRP A 30 -5.246 15.898 9.503 1.00 0.00 C ATOM 492 CE3 TRP A 30 -7.541 16.656 9.753 1.00 0.00 C ATOM 493 CZ2 TRP A 30 -5.577 14.931 8.545 1.00 0.00 C ATOM 494 CZ3 TRP A 30 -7.855 15.685 8.794 1.00 0.00 C ATOM 495 CH2 TRP A 30 -6.929 14.839 8.195 1.00 0.00 C ATOM 0 H TRP A 30 -5.260 21.266 11.868 1.00 0.00 H new ATOM 0 HA TRP A 30 -6.928 19.498 10.135 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -5.388 19.017 12.623 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -6.949 18.239 12.457 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -3.411 17.699 11.525 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -3.114 15.778 9.809 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -8.287 17.296 10.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -4.829 14.291 8.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -8.889 15.587 8.499 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -7.251 14.114 7.463 1.00 0.00 H new ATOM 506 N THR A 31 -7.705 21.793 12.132 1.00 0.00 N ATOM 507 CA THR A 31 -8.786 22.535 12.760 1.00 0.00 C ATOM 508 C THR A 31 -9.651 23.218 11.698 1.00 0.00 C ATOM 509 O THR A 31 -10.878 23.185 11.776 1.00 0.00 O ATOM 510 CB THR A 31 -8.169 23.513 13.762 1.00 0.00 C ATOM 511 OG1 THR A 31 -8.878 23.262 14.972 1.00 0.00 O ATOM 512 CG2 THR A 31 -8.495 24.971 13.434 1.00 0.00 C ATOM 0 H THR A 31 -6.840 22.319 12.012 1.00 0.00 H new ATOM 0 HA THR A 31 -9.458 21.871 13.304 1.00 0.00 H new ATOM 0 HB THR A 31 -7.087 23.379 13.781 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.540 23.853 15.677 1.00 0.00 H new ATOM 0 HG21 THR A 31 -8.033 25.623 14.176 1.00 0.00 H new ATOM 0 HG22 THR A 31 -8.109 25.216 12.445 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.575 25.114 13.448 1.00 0.00 H new ATOM 520 N LEU A 32 -8.976 23.821 10.730 1.00 0.00 N ATOM 521 CA LEU A 32 -9.667 24.511 9.654 1.00 0.00 C ATOM 522 C LEU A 32 -10.673 23.557 9.006 1.00 0.00 C ATOM 523 O LEU A 32 -11.647 23.997 8.396 1.00 0.00 O ATOM 524 CB LEU A 32 -8.662 25.108 8.667 1.00 0.00 C ATOM 525 CG LEU A 32 -8.300 24.232 7.466 1.00 0.00 C ATOM 526 CD1 LEU A 32 -8.075 22.781 7.894 1.00 0.00 C ATOM 527 CD2 LEU A 32 -9.356 24.348 6.365 1.00 0.00 C ATOM 0 H LEU A 32 -7.958 23.846 10.669 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.234 25.356 10.045 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.064 26.051 8.296 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.746 25.343 9.209 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.360 24.594 7.050 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.819 22.180 7.022 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.260 22.737 8.617 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.985 22.391 8.349 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.075 23.716 5.523 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.323 24.027 6.753 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.424 25.384 6.034 1.00 0.00 H new ATOM 539 N ILE A 33 -10.402 22.269 9.159 1.00 0.00 N ATOM 540 CA ILE A 33 -11.271 21.250 8.596 1.00 0.00 C ATOM 541 C ILE A 33 -12.613 21.266 9.332 1.00 0.00 C ATOM 542 O ILE A 33 -13.669 21.294 8.703 1.00 0.00 O ATOM 543 CB ILE A 33 -10.578 19.886 8.612 1.00 0.00 C ATOM 544 CG1 ILE A 33 -9.489 19.812 7.540 1.00 0.00 C ATOM 545 CG2 ILE A 33 -11.595 18.752 8.476 1.00 0.00 C ATOM 546 CD1 ILE A 33 -8.102 20.013 8.152 1.00 0.00 C ATOM 0 H ILE A 33 -9.593 21.908 9.665 1.00 0.00 H new ATOM 0 HA ILE A 33 -11.479 21.464 7.548 1.00 0.00 H new ATOM 0 HB ILE A 33 -10.088 19.763 9.578 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -9.532 18.845 7.039 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -9.669 20.573 6.781 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -11.076 17.794 8.490 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -12.301 18.795 9.306 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -12.135 18.858 7.535 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.347 19.956 7.368 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.054 20.991 8.631 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -7.915 19.236 8.893 1.00 0.00 H new ATOM 558 N ALA A 34 -12.526 21.248 10.654 1.00 0.00 N ATOM 559 CA ALA A 34 -13.720 21.261 11.482 1.00 0.00 C ATOM 560 C ALA A 34 -14.113 22.709 11.781 1.00 0.00 C ATOM 561 O ALA A 34 -15.052 22.958 12.536 1.00 0.00 O ATOM 562 CB ALA A 34 -13.467 20.451 12.755 1.00 0.00 C ATOM 0 H ALA A 34 -11.648 21.225 11.172 1.00 0.00 H new ATOM 0 HA ALA A 34 -14.555 20.795 10.959 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.363 20.461 13.376 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -13.221 19.423 12.489 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.637 20.892 13.308 1.00 0.00 H new ATOM 568 N LYS A 35 -13.376 23.626 11.173 1.00 0.00 N ATOM 569 CA LYS A 35 -13.636 25.043 11.364 1.00 0.00 C ATOM 570 C LYS A 35 -14.184 25.636 10.065 1.00 0.00 C ATOM 571 O LYS A 35 -14.781 26.712 10.073 1.00 0.00 O ATOM 572 CB LYS A 35 -12.383 25.752 11.883 1.00 0.00 C ATOM 573 CG LYS A 35 -12.755 26.946 12.765 1.00 0.00 C ATOM 574 CD LYS A 35 -12.516 28.266 12.028 1.00 0.00 C ATOM 575 CE LYS A 35 -11.048 28.688 12.121 1.00 0.00 C ATOM 576 NZ LYS A 35 -10.519 29.021 10.780 1.00 0.00 N ATOM 0 H LYS A 35 -12.598 23.416 10.547 1.00 0.00 H new ATOM 0 HA LYS A 35 -14.398 25.191 12.129 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.773 25.051 12.452 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.778 26.091 11.042 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -13.802 26.874 13.059 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -12.165 26.924 13.681 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.802 28.159 10.982 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -13.149 29.044 12.454 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.952 29.550 12.781 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.459 27.883 12.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.522 29.305 10.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.593 28.188 10.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.070 29.804 10.374 1.00 0.00 H new ATOM 590 N HIS A 36 -13.963 24.909 8.980 1.00 0.00 N ATOM 591 CA HIS A 36 -14.428 25.350 7.676 1.00 0.00 C ATOM 592 C HIS A 36 -15.849 24.836 7.436 1.00 0.00 C ATOM 593 O HIS A 36 -16.698 25.563 6.923 1.00 0.00 O ATOM 594 CB HIS A 36 -13.450 24.925 6.578 1.00 0.00 C ATOM 595 CG HIS A 36 -12.225 25.802 6.474 1.00 0.00 C ATOM 596 ND1 HIS A 36 -11.737 26.267 5.265 1.00 0.00 N ATOM 597 CD2 HIS A 36 -11.396 26.292 7.439 1.00 0.00 C ATOM 598 CE1 HIS A 36 -10.662 27.003 5.504 1.00 0.00 C ATOM 599 NE2 HIS A 36 -10.451 27.017 6.852 1.00 0.00 N ATOM 0 H HIS A 36 -13.468 24.017 8.977 1.00 0.00 H new ATOM 0 HA HIS A 36 -14.464 26.439 7.648 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -13.135 23.898 6.764 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -13.970 24.930 5.620 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -11.492 26.120 8.501 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -10.058 27.504 4.762 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -9.693 27.504 7.330 1.00 0.00 H new ATOM 607 N LEU A 37 -16.063 23.586 7.820 1.00 0.00 N ATOM 608 CA LEU A 37 -17.367 22.965 7.653 1.00 0.00 C ATOM 609 C LEU A 37 -18.035 22.818 9.022 1.00 0.00 C ATOM 610 O LEU A 37 -17.805 21.837 9.727 1.00 0.00 O ATOM 611 CB LEU A 37 -17.239 21.648 6.886 1.00 0.00 C ATOM 612 CG LEU A 37 -16.091 21.567 5.878 1.00 0.00 C ATOM 613 CD1 LEU A 37 -15.846 20.122 5.440 1.00 0.00 C ATOM 614 CD2 LEU A 37 -16.343 22.493 4.686 1.00 0.00 C ATOM 0 H LEU A 37 -15.356 22.987 8.246 1.00 0.00 H new ATOM 0 HA LEU A 37 -18.016 23.597 7.047 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -17.120 20.840 7.608 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -18.174 21.467 6.357 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.181 21.913 6.368 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.025 20.093 4.724 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -15.590 19.517 6.310 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -16.748 19.725 4.974 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -15.513 22.417 3.984 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -17.267 22.201 4.188 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -16.429 23.522 5.036 1.00 0.00 H new ATOM 626 N LYS A 38 -18.850 23.808 9.356 1.00 0.00 N ATOM 627 CA LYS A 38 -19.553 23.801 10.627 1.00 0.00 C ATOM 628 C LYS A 38 -20.803 22.927 10.509 1.00 0.00 C ATOM 629 O LYS A 38 -20.918 22.123 9.585 1.00 0.00 O ATOM 630 CB LYS A 38 -19.845 25.231 11.087 1.00 0.00 C ATOM 631 CG LYS A 38 -19.181 25.520 12.435 1.00 0.00 C ATOM 632 CD LYS A 38 -17.691 25.820 12.260 1.00 0.00 C ATOM 633 CE LYS A 38 -17.196 26.786 13.338 1.00 0.00 C ATOM 634 NZ LYS A 38 -16.502 26.047 14.416 1.00 0.00 N ATOM 0 H LYS A 38 -19.039 24.620 8.768 1.00 0.00 H new ATOM 0 HA LYS A 38 -18.928 23.362 11.404 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -19.483 25.938 10.340 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -20.922 25.378 11.169 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -19.673 26.368 12.912 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -19.308 24.664 13.098 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -17.121 24.892 12.309 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -17.516 26.250 11.274 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -16.519 27.517 12.896 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -18.038 27.340 13.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.172 26.717 15.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -17.158 25.366 14.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -15.687 25.538 14.019 1.00 0.00 H new ATOM 648 N GLY A 39 -21.709 23.113 11.458 1.00 0.00 N ATOM 649 CA GLY A 39 -22.946 22.351 11.471 1.00 0.00 C ATOM 650 C GLY A 39 -22.716 20.941 12.019 1.00 0.00 C ATOM 651 O GLY A 39 -23.409 20.508 12.938 1.00 0.00 O ATOM 0 H GLY A 39 -21.611 23.780 12.223 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -23.688 22.866 12.082 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -23.351 22.291 10.461 1.00 0.00 H new ATOM 655 N ARG A 40 -21.741 20.265 11.431 1.00 0.00 N ATOM 656 CA ARG A 40 -21.411 18.913 11.848 1.00 0.00 C ATOM 657 C ARG A 40 -19.902 18.776 12.060 1.00 0.00 C ATOM 658 O ARG A 40 -19.144 19.699 11.765 1.00 0.00 O ATOM 659 CB ARG A 40 -21.867 17.888 10.808 1.00 0.00 C ATOM 660 CG ARG A 40 -23.188 17.236 11.223 1.00 0.00 C ATOM 661 CD ARG A 40 -24.283 17.510 10.190 1.00 0.00 C ATOM 662 NE ARG A 40 -24.485 16.317 9.338 1.00 0.00 N ATOM 663 CZ ARG A 40 -25.247 15.270 9.680 1.00 0.00 C ATOM 664 NH1 ARG A 40 -25.883 15.261 10.859 1.00 0.00 N ATOM 665 NH2 ARG A 40 -25.372 14.231 8.843 1.00 0.00 N ATOM 0 H ARG A 40 -21.168 20.628 10.669 1.00 0.00 H new ATOM 0 HA ARG A 40 -21.933 18.719 12.785 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -21.986 18.375 9.840 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -21.101 17.122 10.687 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -23.048 16.161 11.333 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -23.497 17.619 12.196 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -25.214 17.769 10.695 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -24.007 18.365 9.573 1.00 0.00 H new ATOM 0 HE ARG A 40 -24.014 16.290 8.433 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -25.787 16.052 11.496 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -26.463 14.464 11.119 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -24.887 14.238 7.946 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -25.952 13.433 9.103 1.00 0.00 H new ATOM 679 N LEU A 41 -19.510 17.617 12.570 1.00 0.00 N ATOM 680 CA LEU A 41 -18.105 17.348 12.825 1.00 0.00 C ATOM 681 C LEU A 41 -17.345 17.328 11.498 1.00 0.00 C ATOM 682 O LEU A 41 -17.916 17.005 10.457 1.00 0.00 O ATOM 683 CB LEU A 41 -17.946 16.066 13.645 1.00 0.00 C ATOM 684 CG LEU A 41 -17.898 16.243 15.164 1.00 0.00 C ATOM 685 CD1 LEU A 41 -16.552 16.819 15.608 1.00 0.00 C ATOM 686 CD2 LEU A 41 -19.073 17.092 15.655 1.00 0.00 C ATOM 0 H LEU A 41 -20.141 16.854 12.813 1.00 0.00 H new ATOM 0 HA LEU A 41 -17.668 18.142 13.430 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -18.773 15.399 13.403 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -17.030 15.567 13.328 1.00 0.00 H new ATOM 0 HG LEU A 41 -17.995 15.260 15.624 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -16.545 16.934 16.692 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -15.751 16.143 15.310 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -16.400 17.791 15.139 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -19.015 17.202 16.738 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -19.032 18.076 15.187 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -20.011 16.604 15.390 1.00 0.00 H new ATOM 698 N GLY A 42 -16.070 17.677 11.578 1.00 0.00 N ATOM 699 CA GLY A 42 -15.226 17.703 10.395 1.00 0.00 C ATOM 700 C GLY A 42 -15.441 16.452 9.540 1.00 0.00 C ATOM 701 O GLY A 42 -14.964 15.372 9.884 1.00 0.00 O ATOM 0 H GLY A 42 -15.600 17.944 12.443 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -15.447 18.593 9.806 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -14.179 17.769 10.692 1.00 0.00 H new ATOM 705 N LYS A 43 -16.160 16.640 8.444 1.00 0.00 N ATOM 706 CA LYS A 43 -16.444 15.541 7.537 1.00 0.00 C ATOM 707 C LYS A 43 -15.203 14.656 7.411 1.00 0.00 C ATOM 708 O LYS A 43 -14.320 14.930 6.599 1.00 0.00 O ATOM 709 CB LYS A 43 -16.960 16.071 6.198 1.00 0.00 C ATOM 710 CG LYS A 43 -18.094 15.194 5.662 1.00 0.00 C ATOM 711 CD LYS A 43 -17.549 13.889 5.077 1.00 0.00 C ATOM 712 CE LYS A 43 -18.682 13.020 4.527 1.00 0.00 C ATOM 713 NZ LYS A 43 -18.155 11.719 4.059 1.00 0.00 N ATOM 0 H LYS A 43 -16.555 17.538 8.163 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.243 14.915 7.935 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -17.314 17.095 6.320 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -16.145 16.099 5.475 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -18.797 14.971 6.465 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -18.647 15.737 4.896 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -16.838 14.112 4.282 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -17.005 13.340 5.846 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -19.433 12.858 5.300 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -19.178 13.536 3.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -18.947 11.074 3.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -17.602 11.861 3.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -17.545 11.307 4.794 1.00 0.00 H new ATOM 727 N GLN A 44 -15.174 13.612 8.227 1.00 0.00 N ATOM 728 CA GLN A 44 -14.055 12.685 8.217 1.00 0.00 C ATOM 729 C GLN A 44 -12.766 13.404 8.618 1.00 0.00 C ATOM 730 O GLN A 44 -12.441 14.456 8.069 1.00 0.00 O ATOM 731 CB GLN A 44 -13.908 12.019 6.848 1.00 0.00 C ATOM 732 CG GLN A 44 -14.171 10.514 6.939 1.00 0.00 C ATOM 733 CD GLN A 44 -15.536 10.159 6.347 1.00 0.00 C ATOM 734 OE1 GLN A 44 -16.236 10.991 5.793 1.00 0.00 O ATOM 735 NE2 GLN A 44 -15.875 8.882 6.495 1.00 0.00 N ATOM 0 H GLN A 44 -15.908 13.388 8.899 1.00 0.00 H new ATOM 0 HA GLN A 44 -14.252 11.900 8.947 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -14.605 12.472 6.143 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -12.904 12.194 6.461 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.388 9.972 6.408 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -14.129 10.196 7.981 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -15.242 8.238 6.969 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -16.768 8.546 6.134 1.00 0.00 H new ATOM 744 N CYS A 45 -12.067 12.809 9.573 1.00 0.00 N ATOM 745 CA CYS A 45 -10.820 13.380 10.055 1.00 0.00 C ATOM 746 C CYS A 45 -9.722 12.323 9.914 1.00 0.00 C ATOM 747 O CYS A 45 -9.647 11.391 10.714 1.00 0.00 O ATOM 748 CB CYS A 45 -10.947 13.883 11.494 1.00 0.00 C ATOM 749 SG CYS A 45 -9.304 14.377 12.132 1.00 0.00 S ATOM 0 H CYS A 45 -12.340 11.937 10.026 1.00 0.00 H new ATOM 0 HA CYS A 45 -10.561 14.253 9.456 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -11.631 14.731 11.533 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.371 13.102 12.125 1.00 0.00 H new ATOM 0 HG CYS A 45 -8.699 15.114 11.248 1.00 0.00 H new ATOM 755 N ARG A 46 -8.898 12.504 8.893 1.00 0.00 N ATOM 756 CA ARG A 46 -7.808 11.579 8.638 1.00 0.00 C ATOM 757 C ARG A 46 -8.358 10.210 8.232 1.00 0.00 C ATOM 758 O ARG A 46 -8.549 9.338 9.078 1.00 0.00 O ATOM 759 CB ARG A 46 -6.921 11.418 9.874 1.00 0.00 C ATOM 760 CG ARG A 46 -6.428 12.777 10.376 1.00 0.00 C ATOM 761 CD ARG A 46 -6.216 12.758 11.891 1.00 0.00 C ATOM 762 NE ARG A 46 -5.297 13.849 12.287 1.00 0.00 N ATOM 763 CZ ARG A 46 -5.204 14.338 13.531 1.00 0.00 C ATOM 764 NH1 ARG A 46 -5.973 13.837 14.507 1.00 0.00 N ATOM 765 NH2 ARG A 46 -4.342 15.329 13.798 1.00 0.00 N ATOM 0 H ARG A 46 -8.964 13.278 8.232 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.208 11.989 7.826 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.479 10.915 10.664 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.068 10.784 9.634 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.494 13.036 9.878 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.152 13.549 10.116 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.172 12.873 12.402 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.805 11.796 12.197 1.00 0.00 H new ATOM 0 HE ARG A 46 -4.697 14.254 11.568 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.629 13.083 14.303 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -5.902 14.209 15.454 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -3.757 15.710 13.054 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.271 15.702 14.745 1.00 0.00 H new ATOM 779 N GLU A 47 -8.596 10.064 6.937 1.00 0.00 N ATOM 780 CA GLU A 47 -9.120 8.816 6.409 1.00 0.00 C ATOM 781 C GLU A 47 -9.080 8.828 4.879 1.00 0.00 C ATOM 782 O GLU A 47 -9.935 8.231 4.227 1.00 0.00 O ATOM 783 CB GLU A 47 -10.540 8.558 6.918 1.00 0.00 C ATOM 784 CG GLU A 47 -10.602 7.268 7.738 1.00 0.00 C ATOM 785 CD GLU A 47 -11.972 6.599 7.604 1.00 0.00 C ATOM 786 OE1 GLU A 47 -12.976 7.326 7.763 1.00 0.00 O ATOM 787 OE2 GLU A 47 -11.984 5.376 7.346 1.00 0.00 O ATOM 0 H GLU A 47 -8.436 10.789 6.238 1.00 0.00 H new ATOM 0 HA GLU A 47 -8.489 8.001 6.763 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.869 9.398 7.529 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.226 8.490 6.074 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.824 6.582 7.403 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.402 7.489 8.786 1.00 0.00 H new ATOM 794 N ARG A 48 -8.078 9.516 4.351 1.00 0.00 N ATOM 795 CA ARG A 48 -7.916 9.614 2.910 1.00 0.00 C ATOM 796 C ARG A 48 -6.588 10.294 2.571 1.00 0.00 C ATOM 797 O ARG A 48 -6.469 10.952 1.539 1.00 0.00 O ATOM 798 CB ARG A 48 -9.062 10.407 2.280 1.00 0.00 C ATOM 799 CG ARG A 48 -9.733 9.607 1.161 1.00 0.00 C ATOM 800 CD ARG A 48 -8.847 9.558 -0.085 1.00 0.00 C ATOM 801 NE ARG A 48 -9.683 9.395 -1.295 1.00 0.00 N ATOM 802 CZ ARG A 48 -9.193 9.230 -2.531 1.00 0.00 C ATOM 803 NH1 ARG A 48 -7.868 9.205 -2.728 1.00 0.00 N ATOM 804 NH2 ARG A 48 -10.028 9.090 -3.570 1.00 0.00 N ATOM 0 H ARG A 48 -7.371 10.011 4.895 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.924 8.602 2.505 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -9.798 10.658 3.044 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.682 11.348 1.882 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -9.938 8.594 1.506 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -10.693 10.059 0.911 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -8.259 10.473 -0.160 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -8.141 8.731 -0.007 1.00 0.00 H new ATOM 0 HE ARG A 48 -10.696 9.409 -1.181 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -7.233 9.312 -1.937 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.495 9.079 -3.669 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -11.037 9.109 -3.420 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.655 8.964 -4.511 1.00 0.00 H new ATOM 818 N TRP A 49 -5.622 10.110 3.460 1.00 0.00 N ATOM 819 CA TRP A 49 -4.307 10.697 3.268 1.00 0.00 C ATOM 820 C TRP A 49 -3.423 10.272 4.442 1.00 0.00 C ATOM 821 O TRP A 49 -2.598 9.371 4.308 1.00 0.00 O ATOM 822 CB TRP A 49 -4.402 12.216 3.111 1.00 0.00 C ATOM 823 CG TRP A 49 -5.567 12.849 3.874 1.00 0.00 C ATOM 824 CD1 TRP A 49 -6.298 12.310 4.859 1.00 0.00 C ATOM 825 CD2 TRP A 49 -6.110 14.171 3.673 1.00 0.00 C ATOM 826 NE1 TRP A 49 -7.268 13.184 5.306 1.00 0.00 N ATOM 827 CE2 TRP A 49 -7.150 14.352 4.562 1.00 0.00 C ATOM 828 CE3 TRP A 49 -5.734 15.181 2.770 1.00 0.00 C ATOM 829 CZ2 TRP A 49 -7.900 15.532 4.635 1.00 0.00 C ATOM 830 CZ3 TRP A 49 -6.493 16.355 2.855 1.00 0.00 C ATOM 831 CH2 TRP A 49 -7.543 16.552 3.744 1.00 0.00 C ATOM 0 H TRP A 49 -5.724 9.563 4.315 1.00 0.00 H new ATOM 0 HA TRP A 49 -3.855 10.336 2.344 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -3.470 12.665 3.454 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -4.501 12.456 2.052 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -6.147 11.316 5.254 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -7.947 13.006 6.046 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.924 15.061 2.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -8.710 15.649 5.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -6.245 17.163 2.183 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -8.082 17.488 3.748 1.00 0.00 H new ATOM 842 N HIS A 50 -3.627 10.942 5.567 1.00 0.00 N ATOM 843 CA HIS A 50 -2.859 10.645 6.764 1.00 0.00 C ATOM 844 C HIS A 50 -2.688 9.131 6.902 1.00 0.00 C ATOM 845 O HIS A 50 -1.654 8.659 7.372 1.00 0.00 O ATOM 846 CB HIS A 50 -3.503 11.284 7.996 1.00 0.00 C ATOM 847 CG HIS A 50 -2.696 11.127 9.263 1.00 0.00 C ATOM 848 ND1 HIS A 50 -2.207 9.906 9.694 1.00 0.00 N ATOM 849 CD2 HIS A 50 -2.298 12.049 10.186 1.00 0.00 C ATOM 850 CE1 HIS A 50 -1.546 10.097 10.826 1.00 0.00 C ATOM 851 NE2 HIS A 50 -1.605 11.425 11.130 1.00 0.00 N ATOM 0 H HIS A 50 -4.313 11.689 5.675 1.00 0.00 H new ATOM 0 HA HIS A 50 -1.864 11.082 6.679 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -3.655 12.346 7.804 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -4.488 10.843 8.148 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -2.334 9.011 9.221 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.511 13.107 10.154 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -1.048 9.335 11.406 1.00 0.00 H new ATOM 859 N ASN A 51 -3.720 8.411 6.484 1.00 0.00 N ATOM 860 CA ASN A 51 -3.697 6.960 6.555 1.00 0.00 C ATOM 861 C ASN A 51 -3.670 6.385 5.138 1.00 0.00 C ATOM 862 O ASN A 51 -4.509 5.559 4.783 1.00 0.00 O ATOM 863 CB ASN A 51 -4.945 6.424 7.259 1.00 0.00 C ATOM 864 CG ASN A 51 -5.383 7.360 8.388 1.00 0.00 C ATOM 865 OD1 ASN A 51 -5.999 8.461 7.969 1.00 0.00 O flip ATOM 866 ND2 ASN A 51 -5.176 7.098 9.561 1.00 0.00 N flip ATOM 0 H ASN A 51 -4.576 8.806 6.095 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.811 6.663 7.116 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -5.755 6.315 6.538 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -4.741 5.432 7.663 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.697 6.234 9.814 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.482 7.743 10.289 1.00 0.00 H new ATOM 873 N HIS A 52 -2.696 6.845 4.366 1.00 0.00 N ATOM 874 CA HIS A 52 -2.549 6.386 2.995 1.00 0.00 C ATOM 875 C HIS A 52 -1.162 5.766 2.808 1.00 0.00 C ATOM 876 O HIS A 52 -1.027 4.545 2.747 1.00 0.00 O ATOM 877 CB HIS A 52 -2.829 7.522 2.009 1.00 0.00 C ATOM 878 CG HIS A 52 -3.454 7.069 0.712 1.00 0.00 C ATOM 879 ND1 HIS A 52 -2.732 6.928 -0.460 1.00 0.00 N ATOM 880 CD2 HIS A 52 -4.741 6.726 0.415 1.00 0.00 C ATOM 881 CE1 HIS A 52 -3.556 6.519 -1.413 1.00 0.00 C ATOM 882 NE2 HIS A 52 -4.801 6.395 -0.869 1.00 0.00 N ATOM 0 H HIS A 52 -2.002 7.530 4.664 1.00 0.00 H new ATOM 0 HA HIS A 52 -3.287 5.611 2.785 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -3.489 8.248 2.484 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.894 8.037 1.789 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -5.570 6.724 1.107 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -3.289 6.319 -2.440 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -5.640 6.097 -1.367 1.00 0.00 H new ATOM 890 N LEU A 53 -0.167 6.637 2.721 1.00 0.00 N ATOM 891 CA LEU A 53 1.204 6.191 2.542 1.00 0.00 C ATOM 892 C LEU A 53 1.306 5.375 1.252 1.00 0.00 C ATOM 893 O LEU A 53 0.314 4.816 0.787 1.00 0.00 O ATOM 894 CB LEU A 53 1.690 5.441 3.784 1.00 0.00 C ATOM 895 CG LEU A 53 2.339 6.297 4.873 1.00 0.00 C ATOM 896 CD1 LEU A 53 1.286 6.856 5.831 1.00 0.00 C ATOM 897 CD2 LEU A 53 3.427 5.513 5.611 1.00 0.00 C ATOM 0 H LEU A 53 -0.283 7.649 2.771 1.00 0.00 H new ATOM 0 HA LEU A 53 1.871 7.046 2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.842 4.914 4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.408 4.684 3.469 1.00 0.00 H new ATOM 0 HG LEU A 53 2.824 7.148 4.395 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.774 7.461 6.595 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.580 7.474 5.276 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.752 6.033 6.306 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.872 6.144 6.380 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.988 4.630 6.076 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.197 5.205 4.904 1.00 0.00 H new ATOM 909 N ASN A 54 2.514 5.332 0.710 1.00 0.00 N ATOM 910 CA ASN A 54 2.758 4.594 -0.517 1.00 0.00 C ATOM 911 C ASN A 54 4.159 4.926 -1.037 1.00 0.00 C ATOM 912 O ASN A 54 4.304 5.555 -2.084 1.00 0.00 O ATOM 913 CB ASN A 54 1.749 4.978 -1.601 1.00 0.00 C ATOM 914 CG ASN A 54 2.159 4.406 -2.960 1.00 0.00 C ATOM 915 OD1 ASN A 54 2.911 3.451 -3.059 1.00 0.00 O ATOM 916 ND2 ASN A 54 1.625 5.043 -3.998 1.00 0.00 N ATOM 0 H ASN A 54 3.335 5.797 1.098 1.00 0.00 H new ATOM 0 HA ASN A 54 2.663 3.531 -0.295 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.760 4.608 -1.330 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.676 6.064 -1.667 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.838 4.738 -4.948 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.002 5.836 -3.844 1.00 0.00 H new ATOM 923 N PRO A 55 5.181 4.476 -0.261 1.00 0.00 N ATOM 924 CA PRO A 55 6.565 4.718 -0.632 1.00 0.00 C ATOM 925 C PRO A 55 6.992 3.806 -1.783 1.00 0.00 C ATOM 926 O PRO A 55 6.152 3.317 -2.537 1.00 0.00 O ATOM 927 CB PRO A 55 7.361 4.480 0.641 1.00 0.00 C ATOM 928 CG PRO A 55 6.456 3.667 1.552 1.00 0.00 C ATOM 929 CD PRO A 55 5.047 3.728 0.986 1.00 0.00 C ATOM 0 HA PRO A 55 6.729 5.729 -1.006 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.286 3.943 0.429 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.640 5.424 1.109 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.800 2.634 1.609 1.00 0.00 H new ATOM 0 HG3 PRO A 55 6.477 4.066 2.566 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.648 2.729 0.808 1.00 0.00 H new ATOM 0 HD3 PRO A 55 4.365 4.226 1.675 1.00 0.00 H new ATOM 937 N GLU A 56 8.297 3.604 -1.883 1.00 0.00 N ATOM 938 CA GLU A 56 8.846 2.758 -2.930 1.00 0.00 C ATOM 939 C GLU A 56 9.912 1.824 -2.354 1.00 0.00 C ATOM 940 O GLU A 56 10.039 1.697 -1.137 1.00 0.00 O ATOM 941 CB GLU A 56 9.415 3.601 -4.073 1.00 0.00 C ATOM 942 CG GLU A 56 8.806 3.189 -5.414 1.00 0.00 C ATOM 943 CD GLU A 56 9.818 3.352 -6.550 1.00 0.00 C ATOM 944 OE1 GLU A 56 10.542 4.371 -6.523 1.00 0.00 O ATOM 945 OE2 GLU A 56 9.845 2.455 -7.419 1.00 0.00 O ATOM 0 H GLU A 56 8.991 4.011 -1.256 1.00 0.00 H new ATOM 0 HA GLU A 56 8.040 2.148 -3.338 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.213 4.656 -3.887 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.498 3.485 -4.111 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.475 2.152 -5.364 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.924 3.796 -5.618 1.00 0.00 H new ATOM 952 N VAL A 57 10.650 1.193 -3.255 1.00 0.00 N ATOM 953 CA VAL A 57 11.700 0.274 -2.852 1.00 0.00 C ATOM 954 C VAL A 57 12.896 1.072 -2.328 1.00 0.00 C ATOM 955 O VAL A 57 12.896 1.517 -1.182 1.00 0.00 O ATOM 956 CB VAL A 57 12.062 -0.651 -4.016 1.00 0.00 C ATOM 957 CG1 VAL A 57 13.329 -1.452 -3.707 1.00 0.00 C ATOM 958 CG2 VAL A 57 10.896 -1.580 -4.360 1.00 0.00 C ATOM 0 H VAL A 57 10.541 1.300 -4.264 1.00 0.00 H new ATOM 0 HA VAL A 57 11.356 -0.367 -2.041 1.00 0.00 H new ATOM 0 HB VAL A 57 12.264 -0.029 -4.888 1.00 0.00 H new ATOM 0 HG11 VAL A 57 13.564 -2.101 -4.551 1.00 0.00 H new ATOM 0 HG12 VAL A 57 14.159 -0.767 -3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 57 13.168 -2.059 -2.816 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.179 -2.227 -5.190 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.649 -2.191 -3.492 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.028 -0.985 -4.643 1.00 0.00 H new ATOM 968 N LYS A 58 13.887 1.228 -3.194 1.00 0.00 N ATOM 969 CA LYS A 58 15.087 1.964 -2.833 1.00 0.00 C ATOM 970 C LYS A 58 15.478 2.890 -3.987 1.00 0.00 C ATOM 971 O LYS A 58 14.711 3.069 -4.931 1.00 0.00 O ATOM 972 CB LYS A 58 16.200 1.002 -2.412 1.00 0.00 C ATOM 973 CG LYS A 58 16.194 0.787 -0.897 1.00 0.00 C ATOM 974 CD LYS A 58 16.652 2.048 -0.162 1.00 0.00 C ATOM 975 CE LYS A 58 15.469 2.757 0.500 1.00 0.00 C ATOM 976 NZ LYS A 58 15.872 3.330 1.804 1.00 0.00 N ATOM 0 H LYS A 58 13.883 0.857 -4.144 1.00 0.00 H new ATOM 0 HA LYS A 58 14.900 2.596 -1.965 1.00 0.00 H new ATOM 0 HB2 LYS A 58 16.071 0.046 -2.919 1.00 0.00 H new ATOM 0 HB3 LYS A 58 17.166 1.399 -2.723 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.191 0.515 -0.569 1.00 0.00 H new ATOM 0 HG3 LYS A 58 16.850 -0.045 -0.642 1.00 0.00 H new ATOM 0 HD2 LYS A 58 17.392 1.784 0.594 1.00 0.00 H new ATOM 0 HD3 LYS A 58 17.140 2.725 -0.863 1.00 0.00 H new ATOM 0 HE2 LYS A 58 15.100 3.548 -0.153 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.649 2.053 0.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.057 3.808 2.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.203 2.569 2.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 16.639 4.017 1.659 1.00 0.00 H new ATOM 990 N LYS A 59 16.672 3.453 -3.872 1.00 0.00 N ATOM 991 CA LYS A 59 17.175 4.356 -4.894 1.00 0.00 C ATOM 992 C LYS A 59 17.444 3.568 -6.177 1.00 0.00 C ATOM 993 O LYS A 59 18.420 2.824 -6.259 1.00 0.00 O ATOM 994 CB LYS A 59 18.392 5.125 -4.377 1.00 0.00 C ATOM 995 CG LYS A 59 18.067 6.609 -4.196 1.00 0.00 C ATOM 996 CD LYS A 59 18.655 7.143 -2.888 1.00 0.00 C ATOM 997 CE LYS A 59 19.114 8.594 -3.045 1.00 0.00 C ATOM 998 NZ LYS A 59 18.066 9.524 -2.569 1.00 0.00 N ATOM 0 H LYS A 59 17.306 3.302 -3.087 1.00 0.00 H new ATOM 0 HA LYS A 59 16.428 5.112 -5.135 1.00 0.00 H new ATOM 0 HB2 LYS A 59 18.717 4.702 -3.427 1.00 0.00 H new ATOM 0 HB3 LYS A 59 19.221 5.013 -5.076 1.00 0.00 H new ATOM 0 HG2 LYS A 59 18.465 7.177 -5.037 1.00 0.00 H new ATOM 0 HG3 LYS A 59 16.986 6.751 -4.198 1.00 0.00 H new ATOM 0 HD2 LYS A 59 17.909 7.078 -2.096 1.00 0.00 H new ATOM 0 HD3 LYS A 59 19.498 6.522 -2.584 1.00 0.00 H new ATOM 0 HE2 LYS A 59 20.033 8.754 -2.482 1.00 0.00 H new ATOM 0 HE3 LYS A 59 19.342 8.798 -4.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 18.394 10.504 -2.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 17.198 9.383 -3.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 17.868 9.340 -1.565 1.00 0.00 H new ATOM 1012 N SER A 60 16.561 3.757 -7.146 1.00 0.00 N ATOM 1013 CA SER A 60 16.691 3.073 -8.422 1.00 0.00 C ATOM 1014 C SER A 60 15.445 3.315 -9.275 1.00 0.00 C ATOM 1015 O SER A 60 15.336 4.342 -9.944 1.00 0.00 O ATOM 1016 CB SER A 60 16.914 1.572 -8.221 1.00 0.00 C ATOM 1017 OG SER A 60 16.418 1.122 -6.963 1.00 0.00 O ATOM 0 H SER A 60 15.752 4.374 -7.074 1.00 0.00 H new ATOM 0 HA SER A 60 17.561 3.477 -8.940 1.00 0.00 H new ATOM 0 HB2 SER A 60 16.421 1.022 -9.023 1.00 0.00 H new ATOM 0 HB3 SER A 60 17.979 1.351 -8.291 1.00 0.00 H new ATOM 0 HG SER A 60 16.842 0.270 -6.730 1.00 0.00 H new ATOM 1023 N SER A 61 14.536 2.353 -9.225 1.00 0.00 N ATOM 1024 CA SER A 61 13.301 2.449 -9.985 1.00 0.00 C ATOM 1025 C SER A 61 12.644 1.071 -10.092 1.00 0.00 C ATOM 1026 O SER A 61 12.097 0.720 -11.136 1.00 0.00 O ATOM 1027 CB SER A 61 13.557 3.025 -11.379 1.00 0.00 C ATOM 1028 OG SER A 61 13.410 4.442 -11.406 1.00 0.00 O ATOM 0 H SER A 61 14.630 1.503 -8.670 1.00 0.00 H new ATOM 0 HA SER A 61 12.627 3.126 -9.460 1.00 0.00 H new ATOM 0 HB2 SER A 61 14.563 2.759 -11.702 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.864 2.575 -12.090 1.00 0.00 H new ATOM 0 HG SER A 61 13.984 4.844 -10.721 1.00 0.00 H new ATOM 1034 N TRP A 62 12.721 0.328 -8.998 1.00 0.00 N ATOM 1035 CA TRP A 62 12.140 -1.004 -8.956 1.00 0.00 C ATOM 1036 C TRP A 62 10.822 -0.921 -8.184 1.00 0.00 C ATOM 1037 O TRP A 62 10.328 0.171 -7.908 1.00 0.00 O ATOM 1038 CB TRP A 62 13.122 -2.011 -8.356 1.00 0.00 C ATOM 1039 CG TRP A 62 14.442 -2.127 -9.122 1.00 0.00 C ATOM 1040 CD1 TRP A 62 15.590 -1.476 -8.889 1.00 0.00 C ATOM 1041 CD2 TRP A 62 14.704 -2.974 -10.260 1.00 0.00 C ATOM 1042 NE1 TRP A 62 16.569 -1.841 -9.791 1.00 0.00 N ATOM 1043 CE2 TRP A 62 16.013 -2.780 -10.651 1.00 0.00 C ATOM 1044 CE3 TRP A 62 13.862 -3.874 -10.938 1.00 0.00 C ATOM 1045 CZ2 TRP A 62 16.598 -3.451 -11.732 1.00 0.00 C ATOM 1046 CZ3 TRP A 62 14.462 -4.536 -12.016 1.00 0.00 C ATOM 1047 CH2 TRP A 62 15.778 -4.352 -12.422 1.00 0.00 C ATOM 0 H TRP A 62 13.177 0.622 -8.134 1.00 0.00 H new ATOM 0 HA TRP A 62 11.931 -1.366 -9.963 1.00 0.00 H new ATOM 0 HB2 TRP A 62 13.336 -1.725 -7.326 1.00 0.00 H new ATOM 0 HB3 TRP A 62 12.646 -2.991 -8.322 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.731 -0.757 -8.096 1.00 0.00 H new ATOM 0 HE1 TRP A 62 17.525 -1.487 -9.821 1.00 0.00 H new ATOM 0 HE3 TRP A 62 12.835 -4.041 -10.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.626 -3.283 -12.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 13.859 -5.239 -12.571 1.00 0.00 H new ATOM 0 HH2 TRP A 62 16.167 -4.902 -13.266 1.00 0.00 H new ATOM 1058 N THR A 63 10.289 -2.089 -7.858 1.00 0.00 N ATOM 1059 CA THR A 63 9.038 -2.162 -7.123 1.00 0.00 C ATOM 1060 C THR A 63 9.015 -3.406 -6.232 1.00 0.00 C ATOM 1061 O THR A 63 10.050 -4.031 -6.006 1.00 0.00 O ATOM 1062 CB THR A 63 7.892 -2.119 -8.136 1.00 0.00 C ATOM 1063 OG1 THR A 63 8.469 -2.629 -9.335 1.00 0.00 O ATOM 1064 CG2 THR A 63 7.483 -0.690 -8.497 1.00 0.00 C ATOM 0 H THR A 63 10.701 -2.993 -8.090 1.00 0.00 H new ATOM 0 HA THR A 63 8.926 -1.314 -6.447 1.00 0.00 H new ATOM 0 HB THR A 63 7.031 -2.652 -7.732 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.863 -1.892 -9.848 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.667 -0.717 -9.219 1.00 0.00 H new ATOM 0 HG22 THR A 63 7.156 -0.167 -7.598 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.335 -0.167 -8.932 1.00 0.00 H new ATOM 1072 N GLU A 64 7.823 -3.727 -5.749 1.00 0.00 N ATOM 1073 CA GLU A 64 7.652 -4.884 -4.888 1.00 0.00 C ATOM 1074 C GLU A 64 7.650 -6.169 -5.719 1.00 0.00 C ATOM 1075 O GLU A 64 8.670 -6.849 -5.819 1.00 0.00 O ATOM 1076 CB GLU A 64 6.371 -4.765 -4.059 1.00 0.00 C ATOM 1077 CG GLU A 64 6.637 -4.033 -2.742 1.00 0.00 C ATOM 1078 CD GLU A 64 6.538 -4.991 -1.553 1.00 0.00 C ATOM 1079 OE1 GLU A 64 5.698 -5.913 -1.635 1.00 0.00 O ATOM 1080 OE2 GLU A 64 7.304 -4.779 -0.588 1.00 0.00 O ATOM 0 H GLU A 64 6.967 -3.206 -5.938 1.00 0.00 H new ATOM 0 HA GLU A 64 8.492 -4.924 -4.195 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.612 -4.230 -4.630 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.973 -5.759 -3.853 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.628 -3.580 -2.767 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.919 -3.222 -2.621 1.00 0.00 H new ATOM 1087 N GLU A 65 6.493 -6.462 -6.293 1.00 0.00 N ATOM 1088 CA GLU A 65 6.345 -7.653 -7.112 1.00 0.00 C ATOM 1089 C GLU A 65 7.530 -7.789 -8.071 1.00 0.00 C ATOM 1090 O GLU A 65 7.888 -8.897 -8.467 1.00 0.00 O ATOM 1091 CB GLU A 65 5.020 -7.631 -7.878 1.00 0.00 C ATOM 1092 CG GLU A 65 4.596 -6.197 -8.199 1.00 0.00 C ATOM 1093 CD GLU A 65 4.026 -6.098 -9.615 1.00 0.00 C ATOM 1094 OE1 GLU A 65 2.822 -6.396 -9.765 1.00 0.00 O ATOM 1095 OE2 GLU A 65 4.808 -5.725 -10.517 1.00 0.00 O ATOM 0 H GLU A 65 5.649 -5.895 -6.207 1.00 0.00 H new ATOM 0 HA GLU A 65 6.333 -8.522 -6.455 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.121 -8.200 -8.802 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.246 -8.119 -7.286 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.849 -5.865 -7.478 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.452 -5.530 -8.100 1.00 0.00 H new ATOM 1102 N GLU A 66 8.105 -6.646 -8.415 1.00 0.00 N ATOM 1103 CA GLU A 66 9.242 -6.624 -9.319 1.00 0.00 C ATOM 1104 C GLU A 66 10.480 -7.203 -8.631 1.00 0.00 C ATOM 1105 O GLU A 66 11.266 -7.914 -9.254 1.00 0.00 O ATOM 1106 CB GLU A 66 9.511 -5.206 -9.828 1.00 0.00 C ATOM 1107 CG GLU A 66 8.433 -4.766 -10.820 1.00 0.00 C ATOM 1108 CD GLU A 66 8.964 -3.685 -11.764 1.00 0.00 C ATOM 1109 OE1 GLU A 66 10.205 -3.597 -11.884 1.00 0.00 O ATOM 1110 OE2 GLU A 66 8.118 -2.972 -12.344 1.00 0.00 O ATOM 0 H GLU A 66 7.805 -5.729 -8.084 1.00 0.00 H new ATOM 0 HA GLU A 66 9.006 -7.246 -10.182 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.541 -4.513 -8.987 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.489 -5.167 -10.307 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.094 -5.625 -11.399 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.567 -4.386 -10.277 1.00 0.00 H new ATOM 1117 N ASP A 67 10.614 -6.876 -7.353 1.00 0.00 N ATOM 1118 CA ASP A 67 11.742 -7.355 -6.573 1.00 0.00 C ATOM 1119 C ASP A 67 11.642 -8.874 -6.418 1.00 0.00 C ATOM 1120 O ASP A 67 12.609 -9.592 -6.666 1.00 0.00 O ATOM 1121 CB ASP A 67 11.747 -6.736 -5.174 1.00 0.00 C ATOM 1122 CG ASP A 67 13.136 -6.484 -4.583 1.00 0.00 C ATOM 1123 OD1 ASP A 67 14.016 -6.059 -5.362 1.00 0.00 O ATOM 1124 OD2 ASP A 67 13.286 -6.723 -3.365 1.00 0.00 O ATOM 0 H ASP A 67 9.960 -6.285 -6.839 1.00 0.00 H new ATOM 0 HA ASP A 67 12.656 -7.073 -7.095 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.207 -5.790 -5.210 1.00 0.00 H new ATOM 0 HB3 ASP A 67 11.196 -7.392 -4.501 1.00 0.00 H new ATOM 1129 N ARG A 68 10.463 -9.318 -6.007 1.00 0.00 N ATOM 1130 CA ARG A 68 10.224 -10.738 -5.816 1.00 0.00 C ATOM 1131 C ARG A 68 10.565 -11.511 -7.091 1.00 0.00 C ATOM 1132 O ARG A 68 11.466 -12.348 -7.092 1.00 0.00 O ATOM 1133 CB ARG A 68 8.764 -11.005 -5.441 1.00 0.00 C ATOM 1134 CG ARG A 68 8.391 -10.284 -4.144 1.00 0.00 C ATOM 1135 CD ARG A 68 8.818 -11.098 -2.921 1.00 0.00 C ATOM 1136 NE ARG A 68 8.144 -12.416 -2.931 1.00 0.00 N ATOM 1137 CZ ARG A 68 8.312 -13.352 -1.987 1.00 0.00 C ATOM 1138 NH1 ARG A 68 9.132 -13.121 -0.952 1.00 0.00 N ATOM 1139 NH2 ARG A 68 7.660 -14.519 -2.077 1.00 0.00 N ATOM 0 H ARG A 68 9.663 -8.719 -5.801 1.00 0.00 H new ATOM 0 HA ARG A 68 10.865 -11.075 -5.001 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.111 -10.672 -6.247 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.605 -12.077 -5.324 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.869 -9.305 -4.118 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.315 -10.115 -4.115 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.900 -11.233 -2.923 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.566 -10.558 -2.008 1.00 0.00 H new ATOM 0 HE ARG A 68 7.513 -12.625 -3.704 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.628 -12.233 -0.883 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.260 -13.834 -0.234 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.036 -14.695 -2.864 1.00 0.00 H new ATOM 0 HH22 ARG A 68 7.788 -15.231 -1.358 1.00 0.00 H new ATOM 1153 N ILE A 69 9.827 -11.202 -8.147 1.00 0.00 N ATOM 1154 CA ILE A 69 10.040 -11.857 -9.427 1.00 0.00 C ATOM 1155 C ILE A 69 11.539 -12.077 -9.639 1.00 0.00 C ATOM 1156 O ILE A 69 11.963 -13.171 -10.010 1.00 0.00 O ATOM 1157 CB ILE A 69 9.369 -11.066 -10.552 1.00 0.00 C ATOM 1158 CG1 ILE A 69 7.850 -11.040 -10.375 1.00 0.00 C ATOM 1159 CG2 ILE A 69 9.777 -11.609 -11.923 1.00 0.00 C ATOM 1160 CD1 ILE A 69 7.218 -9.932 -11.219 1.00 0.00 C ATOM 0 H ILE A 69 9.081 -10.507 -8.143 1.00 0.00 H new ATOM 0 HA ILE A 69 9.569 -12.840 -9.435 1.00 0.00 H new ATOM 0 HB ILE A 69 9.717 -10.034 -10.498 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.430 -12.004 -10.662 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.605 -10.886 -9.324 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.286 -11.029 -12.705 1.00 0.00 H new ATOM 0 HG22 ILE A 69 10.858 -11.531 -12.038 1.00 0.00 H new ATOM 0 HG23 ILE A 69 9.478 -12.654 -12.004 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.138 -9.936 -11.074 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.622 -8.967 -10.913 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.444 -10.103 -12.272 1.00 0.00 H new ATOM 1172 N ILE A 70 12.300 -11.021 -9.394 1.00 0.00 N ATOM 1173 CA ILE A 70 13.743 -11.085 -9.553 1.00 0.00 C ATOM 1174 C ILE A 70 14.298 -12.214 -8.683 1.00 0.00 C ATOM 1175 O ILE A 70 14.748 -13.236 -9.198 1.00 0.00 O ATOM 1176 CB ILE A 70 14.375 -9.721 -9.268 1.00 0.00 C ATOM 1177 CG1 ILE A 70 13.682 -8.617 -10.070 1.00 0.00 C ATOM 1178 CG2 ILE A 70 15.884 -9.752 -9.520 1.00 0.00 C ATOM 1179 CD1 ILE A 70 14.563 -8.147 -11.229 1.00 0.00 C ATOM 0 H ILE A 70 11.945 -10.116 -9.086 1.00 0.00 H new ATOM 0 HA ILE A 70 14.002 -11.321 -10.585 1.00 0.00 H new ATOM 0 HB ILE A 70 14.230 -9.491 -8.212 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.732 -8.985 -10.457 1.00 0.00 H new ATOM 0 HG13 ILE A 70 13.455 -7.775 -9.416 1.00 0.00 H new ATOM 0 HG21 ILE A 70 16.308 -8.770 -9.310 1.00 0.00 H new ATOM 0 HG22 ILE A 70 16.346 -10.494 -8.869 1.00 0.00 H new ATOM 0 HG23 ILE A 70 16.074 -10.014 -10.561 1.00 0.00 H new ATOM 0 HD11 ILE A 70 14.048 -7.362 -11.783 1.00 0.00 H new ATOM 0 HD12 ILE A 70 15.502 -7.757 -10.837 1.00 0.00 H new ATOM 0 HD13 ILE A 70 14.768 -8.986 -11.894 1.00 0.00 H new ATOM 1191 N PHE A 71 14.248 -11.991 -7.378 1.00 0.00 N ATOM 1192 CA PHE A 71 14.740 -12.977 -6.431 1.00 0.00 C ATOM 1193 C PHE A 71 14.190 -14.368 -6.751 1.00 0.00 C ATOM 1194 O PHE A 71 14.774 -15.376 -6.359 1.00 0.00 O ATOM 1195 CB PHE A 71 14.247 -12.553 -5.046 1.00 0.00 C ATOM 1196 CG PHE A 71 14.317 -13.661 -3.994 1.00 0.00 C ATOM 1197 CD1 PHE A 71 13.406 -14.671 -4.008 1.00 0.00 C ATOM 1198 CD2 PHE A 71 15.290 -13.637 -3.044 1.00 0.00 C ATOM 1199 CE1 PHE A 71 13.471 -15.700 -3.031 1.00 0.00 C ATOM 1200 CE2 PHE A 71 15.355 -14.666 -2.068 1.00 0.00 C ATOM 1201 CZ PHE A 71 14.444 -15.675 -2.082 1.00 0.00 C ATOM 0 H PHE A 71 13.874 -11.142 -6.954 1.00 0.00 H new ATOM 0 HA PHE A 71 15.828 -13.026 -6.478 1.00 0.00 H new ATOM 0 HB2 PHE A 71 14.840 -11.704 -4.705 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.216 -12.209 -5.128 1.00 0.00 H new ATOM 0 HD1 PHE A 71 12.633 -14.691 -4.762 1.00 0.00 H new ATOM 0 HD2 PHE A 71 16.013 -12.835 -3.032 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.748 -16.502 -3.042 1.00 0.00 H new ATOM 0 HE2 PHE A 71 16.128 -14.647 -1.314 1.00 0.00 H new ATOM 0 HZ PHE A 71 14.493 -16.457 -1.339 1.00 0.00 H new ATOM 1211 N GLU A 72 13.071 -14.377 -7.462 1.00 0.00 N ATOM 1212 CA GLU A 72 12.435 -15.628 -7.839 1.00 0.00 C ATOM 1213 C GLU A 72 13.189 -16.277 -9.002 1.00 0.00 C ATOM 1214 O GLU A 72 13.587 -17.438 -8.917 1.00 0.00 O ATOM 1215 CB GLU A 72 10.963 -15.409 -8.195 1.00 0.00 C ATOM 1216 CG GLU A 72 10.612 -16.089 -9.519 1.00 0.00 C ATOM 1217 CD GLU A 72 9.097 -16.125 -9.733 1.00 0.00 C ATOM 1218 OE1 GLU A 72 8.482 -15.044 -9.613 1.00 0.00 O ATOM 1219 OE2 GLU A 72 8.589 -17.233 -10.011 1.00 0.00 O ATOM 0 H GLU A 72 12.589 -13.538 -7.786 1.00 0.00 H new ATOM 0 HA GLU A 72 12.472 -16.304 -6.985 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.330 -15.804 -7.400 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.757 -14.341 -8.265 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.087 -15.556 -10.343 1.00 0.00 H new ATOM 0 HG3 GLU A 72 11.008 -17.104 -9.526 1.00 0.00 H new ATOM 1226 N ALA A 73 13.363 -15.500 -10.060 1.00 0.00 N ATOM 1227 CA ALA A 73 14.062 -15.984 -11.238 1.00 0.00 C ATOM 1228 C ALA A 73 15.517 -16.287 -10.874 1.00 0.00 C ATOM 1229 O ALA A 73 16.153 -17.136 -11.496 1.00 0.00 O ATOM 1230 CB ALA A 73 13.945 -14.953 -12.362 1.00 0.00 C ATOM 0 H ALA A 73 13.032 -14.538 -10.126 1.00 0.00 H new ATOM 0 HA ALA A 73 13.612 -16.910 -11.597 1.00 0.00 H new ATOM 0 HB1 ALA A 73 14.470 -15.317 -13.245 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.894 -14.796 -12.603 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.388 -14.011 -12.039 1.00 0.00 H new ATOM 1236 N HIS A 74 16.001 -15.575 -9.867 1.00 0.00 N ATOM 1237 CA HIS A 74 17.369 -15.756 -9.412 1.00 0.00 C ATOM 1238 C HIS A 74 17.487 -17.081 -8.656 1.00 0.00 C ATOM 1239 O HIS A 74 18.591 -17.578 -8.435 1.00 0.00 O ATOM 1240 CB HIS A 74 17.830 -14.557 -8.582 1.00 0.00 C ATOM 1241 CG HIS A 74 19.324 -14.343 -8.587 1.00 0.00 C ATOM 1242 ND1 HIS A 74 20.149 -14.788 -7.569 1.00 0.00 N ATOM 1243 CD2 HIS A 74 20.133 -13.728 -9.497 1.00 0.00 C ATOM 1244 CE1 HIS A 74 21.396 -14.451 -7.863 1.00 0.00 C ATOM 1245 NE2 HIS A 74 21.384 -13.793 -9.058 1.00 0.00 N ATOM 0 H HIS A 74 15.470 -14.872 -9.353 1.00 0.00 H new ATOM 0 HA HIS A 74 18.038 -15.807 -10.271 1.00 0.00 H new ATOM 0 HB2 HIS A 74 17.344 -13.658 -8.960 1.00 0.00 H new ATOM 0 HB3 HIS A 74 17.496 -14.691 -7.553 1.00 0.00 H new ATOM 0 HD2 HIS A 74 19.810 -13.266 -10.419 1.00 0.00 H new ATOM 0 HE1 HIS A 74 22.269 -14.660 -7.262 1.00 0.00 H new ATOM 0 HE2 HIS A 74 22.202 -13.414 -9.535 1.00 0.00 H new ATOM 1253 N LYS A 75 16.335 -17.616 -8.280 1.00 0.00 N ATOM 1254 CA LYS A 75 16.295 -18.873 -7.553 1.00 0.00 C ATOM 1255 C LYS A 75 15.872 -19.994 -8.505 1.00 0.00 C ATOM 1256 O LYS A 75 15.483 -21.074 -8.063 1.00 0.00 O ATOM 1257 CB LYS A 75 15.404 -18.749 -6.315 1.00 0.00 C ATOM 1258 CG LYS A 75 14.031 -19.377 -6.563 1.00 0.00 C ATOM 1259 CD LYS A 75 12.999 -18.849 -5.564 1.00 0.00 C ATOM 1260 CE LYS A 75 12.553 -19.953 -4.602 1.00 0.00 C ATOM 1261 NZ LYS A 75 13.154 -19.749 -3.265 1.00 0.00 N ATOM 0 H LYS A 75 15.422 -17.202 -8.465 1.00 0.00 H new ATOM 0 HA LYS A 75 17.287 -19.128 -7.179 1.00 0.00 H new ATOM 0 HB2 LYS A 75 15.884 -19.238 -5.467 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.285 -17.698 -6.052 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.705 -19.157 -7.579 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.102 -20.461 -6.479 1.00 0.00 H new ATOM 0 HD2 LYS A 75 13.425 -18.020 -4.999 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.135 -18.458 -6.101 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.466 -19.957 -4.522 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.847 -20.926 -4.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.841 -20.506 -2.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.191 -19.768 -3.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.853 -18.829 -2.886 1.00 0.00 H new ATOM 1275 N VAL A 76 15.963 -19.699 -9.793 1.00 0.00 N ATOM 1276 CA VAL A 76 15.595 -20.668 -10.811 1.00 0.00 C ATOM 1277 C VAL A 76 16.760 -20.843 -11.788 1.00 0.00 C ATOM 1278 O VAL A 76 17.069 -21.961 -12.197 1.00 0.00 O ATOM 1279 CB VAL A 76 14.298 -20.238 -11.499 1.00 0.00 C ATOM 1280 CG1 VAL A 76 13.676 -21.402 -12.274 1.00 0.00 C ATOM 1281 CG2 VAL A 76 13.306 -19.661 -10.487 1.00 0.00 C ATOM 0 H VAL A 76 16.286 -18.802 -10.155 1.00 0.00 H new ATOM 0 HA VAL A 76 15.401 -21.641 -10.359 1.00 0.00 H new ATOM 0 HB VAL A 76 14.543 -19.452 -12.214 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.755 -21.069 -12.753 1.00 0.00 H new ATOM 0 HG12 VAL A 76 14.376 -21.748 -13.034 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.453 -22.218 -11.587 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.393 -19.363 -11.002 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.070 -20.416 -9.737 1.00 0.00 H new ATOM 0 HG23 VAL A 76 13.748 -18.792 -10.000 1.00 0.00 H new ATOM 1291 N LEU A 77 17.375 -19.721 -12.132 1.00 0.00 N ATOM 1292 CA LEU A 77 18.499 -19.736 -13.053 1.00 0.00 C ATOM 1293 C LEU A 77 19.777 -19.369 -12.297 1.00 0.00 C ATOM 1294 O LEU A 77 20.591 -20.238 -11.988 1.00 0.00 O ATOM 1295 CB LEU A 77 18.217 -18.836 -14.257 1.00 0.00 C ATOM 1296 CG LEU A 77 16.744 -18.649 -14.625 1.00 0.00 C ATOM 1297 CD1 LEU A 77 16.276 -17.227 -14.311 1.00 0.00 C ATOM 1298 CD2 LEU A 77 16.491 -19.026 -16.086 1.00 0.00 C ATOM 0 H LEU A 77 17.116 -18.796 -11.790 1.00 0.00 H new ATOM 0 HA LEU A 77 18.645 -20.737 -13.460 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.649 -17.855 -14.061 1.00 0.00 H new ATOM 0 HB3 LEU A 77 18.738 -19.247 -15.122 1.00 0.00 H new ATOM 0 HG LEU A 77 16.151 -19.326 -14.011 1.00 0.00 H new ATOM 0 HD11 LEU A 77 15.226 -17.121 -14.582 1.00 0.00 H new ATOM 0 HD12 LEU A 77 16.397 -17.031 -13.246 1.00 0.00 H new ATOM 0 HD13 LEU A 77 16.871 -16.514 -14.881 1.00 0.00 H new ATOM 0 HD21 LEU A 77 15.436 -18.884 -16.321 1.00 0.00 H new ATOM 0 HD22 LEU A 77 17.096 -18.393 -16.735 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.760 -20.070 -16.244 1.00 0.00 H new ATOM 1310 N GLY A 78 19.914 -18.081 -12.021 1.00 0.00 N ATOM 1311 CA GLY A 78 21.080 -17.588 -11.306 1.00 0.00 C ATOM 1312 C GLY A 78 21.340 -16.116 -11.632 1.00 0.00 C ATOM 1313 O GLY A 78 20.500 -15.259 -11.363 1.00 0.00 O ATOM 0 H GLY A 78 19.237 -17.363 -12.279 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.930 -17.706 -10.233 1.00 0.00 H new ATOM 0 HA3 GLY A 78 21.953 -18.183 -11.573 1.00 0.00 H new ATOM 1317 N ASN A 79 22.509 -15.868 -12.206 1.00 0.00 N ATOM 1318 CA ASN A 79 22.891 -14.514 -12.571 1.00 0.00 C ATOM 1319 C ASN A 79 22.434 -14.229 -14.003 1.00 0.00 C ATOM 1320 O ASN A 79 22.935 -13.307 -14.646 1.00 0.00 O ATOM 1321 CB ASN A 79 24.409 -14.336 -12.514 1.00 0.00 C ATOM 1322 CG ASN A 79 25.109 -15.673 -12.256 1.00 0.00 C ATOM 1323 OD1 ASN A 79 25.024 -16.608 -13.035 1.00 0.00 O ATOM 1324 ND2 ASN A 79 25.802 -15.710 -11.122 1.00 0.00 N ATOM 0 H ASN A 79 23.204 -16.582 -12.427 1.00 0.00 H new ATOM 0 HA ASN A 79 22.421 -13.829 -11.865 1.00 0.00 H new ATOM 0 HB2 ASN A 79 24.764 -13.911 -13.453 1.00 0.00 H new ATOM 0 HB3 ASN A 79 24.666 -13.629 -11.726 1.00 0.00 H new ATOM 0 HD21 ASN A 79 26.305 -16.558 -10.859 1.00 0.00 H new ATOM 0 HD22 ASN A 79 25.831 -14.891 -10.515 1.00 0.00 H new ATOM 1331 N ARG A 80 21.489 -15.037 -14.461 1.00 0.00 N ATOM 1332 CA ARG A 80 20.960 -14.883 -15.806 1.00 0.00 C ATOM 1333 C ARG A 80 20.102 -13.619 -15.896 1.00 0.00 C ATOM 1334 O ARG A 80 18.928 -13.687 -16.258 1.00 0.00 O ATOM 1335 CB ARG A 80 20.117 -16.094 -16.208 1.00 0.00 C ATOM 1336 CG ARG A 80 20.952 -17.108 -16.992 1.00 0.00 C ATOM 1337 CD ARG A 80 21.202 -18.370 -16.165 1.00 0.00 C ATOM 1338 NE ARG A 80 21.000 -19.573 -17.003 1.00 0.00 N ATOM 1339 CZ ARG A 80 21.483 -20.787 -16.704 1.00 0.00 C ATOM 1340 NH1 ARG A 80 22.199 -20.966 -15.586 1.00 0.00 N ATOM 1341 NH2 ARG A 80 21.250 -21.821 -17.524 1.00 0.00 N ATOM 0 H ARG A 80 21.076 -15.800 -13.925 1.00 0.00 H new ATOM 0 HA ARG A 80 21.806 -14.802 -16.489 1.00 0.00 H new ATOM 0 HB2 ARG A 80 19.706 -16.568 -15.316 1.00 0.00 H new ATOM 0 HB3 ARG A 80 19.272 -15.768 -16.814 1.00 0.00 H new ATOM 0 HG2 ARG A 80 20.437 -17.371 -17.916 1.00 0.00 H new ATOM 0 HG3 ARG A 80 21.904 -16.659 -17.274 1.00 0.00 H new ATOM 0 HD2 ARG A 80 22.217 -18.359 -15.768 1.00 0.00 H new ATOM 0 HD3 ARG A 80 20.526 -18.394 -15.310 1.00 0.00 H new ATOM 0 HE ARG A 80 20.459 -19.472 -17.862 1.00 0.00 H new ATOM 0 HH11 ARG A 80 22.376 -20.179 -14.962 1.00 0.00 H new ATOM 0 HH12 ARG A 80 22.567 -21.890 -15.358 1.00 0.00 H new ATOM 0 HH21 ARG A 80 20.705 -21.684 -18.375 1.00 0.00 H new ATOM 0 HH22 ARG A 80 21.617 -22.745 -17.297 1.00 0.00 H new ATOM 1355 N TRP A 81 20.720 -12.497 -15.561 1.00 0.00 N ATOM 1356 CA TRP A 81 20.027 -11.220 -15.601 1.00 0.00 C ATOM 1357 C TRP A 81 19.383 -11.074 -16.981 1.00 0.00 C ATOM 1358 O TRP A 81 18.305 -10.496 -17.108 1.00 0.00 O ATOM 1359 CB TRP A 81 20.977 -10.070 -15.259 1.00 0.00 C ATOM 1360 CG TRP A 81 22.017 -10.418 -14.192 1.00 0.00 C ATOM 1361 CD1 TRP A 81 23.347 -10.497 -14.331 1.00 0.00 C ATOM 1362 CD2 TRP A 81 21.756 -10.731 -12.808 1.00 0.00 C ATOM 1363 NE1 TRP A 81 23.961 -10.837 -13.143 1.00 0.00 N ATOM 1364 CE2 TRP A 81 22.963 -10.984 -12.187 1.00 0.00 C ATOM 1365 CE3 TRP A 81 20.542 -10.799 -12.103 1.00 0.00 C ATOM 1366 CZ2 TRP A 81 23.072 -11.322 -10.833 1.00 0.00 C ATOM 1367 CZ3 TRP A 81 20.668 -11.138 -10.751 1.00 0.00 C ATOM 1368 CH2 TRP A 81 21.875 -11.396 -10.111 1.00 0.00 C ATOM 0 H TRP A 81 21.693 -12.445 -15.260 1.00 0.00 H new ATOM 0 HA TRP A 81 19.242 -11.183 -14.846 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.493 -9.757 -16.166 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.391 -9.218 -14.916 1.00 0.00 H new ATOM 0 HD1 TRP A 81 23.873 -10.317 -15.257 1.00 0.00 H new ATOM 0 HE1 TRP A 81 24.963 -10.958 -12.994 1.00 0.00 H new ATOM 0 HE3 TRP A 81 19.587 -10.605 -12.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 24.028 -11.515 -10.370 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 19.764 -11.204 -10.164 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.889 -11.652 -9.062 1.00 0.00 H new ATOM 1379 N ALA A 82 20.072 -11.608 -17.979 1.00 0.00 N ATOM 1380 CA ALA A 82 19.580 -11.544 -19.345 1.00 0.00 C ATOM 1381 C ALA A 82 18.260 -12.310 -19.444 1.00 0.00 C ATOM 1382 O ALA A 82 17.424 -12.007 -20.294 1.00 0.00 O ATOM 1383 CB ALA A 82 20.645 -12.092 -20.297 1.00 0.00 C ATOM 0 H ALA A 82 20.966 -12.086 -17.869 1.00 0.00 H new ATOM 0 HA ALA A 82 19.384 -10.512 -19.634 1.00 0.00 H new ATOM 0 HB1 ALA A 82 20.276 -12.044 -21.322 1.00 0.00 H new ATOM 0 HB2 ALA A 82 21.553 -11.495 -20.210 1.00 0.00 H new ATOM 0 HB3 ALA A 82 20.866 -13.128 -20.039 1.00 0.00 H new ATOM 1389 N GLU A 83 18.113 -13.288 -18.562 1.00 0.00 N ATOM 1390 CA GLU A 83 16.908 -14.100 -18.539 1.00 0.00 C ATOM 1391 C GLU A 83 16.092 -13.803 -17.279 1.00 0.00 C ATOM 1392 O GLU A 83 14.964 -14.274 -17.141 1.00 0.00 O ATOM 1393 CB GLU A 83 17.248 -15.589 -18.634 1.00 0.00 C ATOM 1394 CG GLU A 83 18.447 -15.819 -19.556 1.00 0.00 C ATOM 1395 CD GLU A 83 18.132 -15.378 -20.986 1.00 0.00 C ATOM 1396 OE1 GLU A 83 17.220 -15.992 -21.581 1.00 0.00 O ATOM 1397 OE2 GLU A 83 18.810 -14.437 -21.453 1.00 0.00 O ATOM 0 H GLU A 83 18.808 -13.536 -17.858 1.00 0.00 H new ATOM 0 HA GLU A 83 16.303 -13.843 -19.409 1.00 0.00 H new ATOM 0 HB2 GLU A 83 17.468 -15.980 -17.641 1.00 0.00 H new ATOM 0 HB3 GLU A 83 16.385 -16.140 -19.009 1.00 0.00 H new ATOM 0 HG2 GLU A 83 19.309 -15.266 -19.183 1.00 0.00 H new ATOM 0 HG3 GLU A 83 18.719 -16.875 -19.549 1.00 0.00 H new ATOM 1404 N ILE A 84 16.694 -13.024 -16.392 1.00 0.00 N ATOM 1405 CA ILE A 84 16.037 -12.660 -15.149 1.00 0.00 C ATOM 1406 C ILE A 84 15.067 -11.506 -15.409 1.00 0.00 C ATOM 1407 O ILE A 84 13.957 -11.492 -14.879 1.00 0.00 O ATOM 1408 CB ILE A 84 17.073 -12.359 -14.064 1.00 0.00 C ATOM 1409 CG1 ILE A 84 16.854 -13.244 -12.835 1.00 0.00 C ATOM 1410 CG2 ILE A 84 17.076 -10.871 -13.706 1.00 0.00 C ATOM 1411 CD1 ILE A 84 17.601 -14.572 -12.975 1.00 0.00 C ATOM 0 H ILE A 84 17.630 -12.635 -16.510 1.00 0.00 H new ATOM 0 HA ILE A 84 15.447 -13.495 -14.772 1.00 0.00 H new ATOM 0 HB ILE A 84 18.060 -12.597 -14.460 1.00 0.00 H new ATOM 0 HG12 ILE A 84 17.197 -12.722 -11.941 1.00 0.00 H new ATOM 0 HG13 ILE A 84 15.789 -13.434 -12.704 1.00 0.00 H new ATOM 0 HG21 ILE A 84 17.821 -10.684 -12.933 1.00 0.00 H new ATOM 0 HG22 ILE A 84 17.318 -10.284 -14.592 1.00 0.00 H new ATOM 0 HG23 ILE A 84 16.091 -10.583 -13.338 1.00 0.00 H new ATOM 0 HD11 ILE A 84 17.428 -15.182 -12.088 1.00 0.00 H new ATOM 0 HD12 ILE A 84 17.239 -15.102 -13.856 1.00 0.00 H new ATOM 0 HD13 ILE A 84 18.669 -14.380 -13.081 1.00 0.00 H new ATOM 1423 N ALA A 85 15.521 -10.566 -16.225 1.00 0.00 N ATOM 1424 CA ALA A 85 14.706 -9.410 -16.562 1.00 0.00 C ATOM 1425 C ALA A 85 13.553 -9.851 -17.465 1.00 0.00 C ATOM 1426 O ALA A 85 12.583 -9.116 -17.642 1.00 0.00 O ATOM 1427 CB ALA A 85 15.583 -8.341 -17.216 1.00 0.00 C ATOM 0 H ALA A 85 16.442 -10.581 -16.663 1.00 0.00 H new ATOM 0 HA ALA A 85 14.272 -8.971 -15.664 1.00 0.00 H new ATOM 0 HB1 ALA A 85 14.972 -7.474 -17.469 1.00 0.00 H new ATOM 0 HB2 ALA A 85 16.369 -8.041 -16.523 1.00 0.00 H new ATOM 0 HB3 ALA A 85 16.033 -8.745 -18.123 1.00 0.00 H new ATOM 1433 N LYS A 86 13.696 -11.049 -18.012 1.00 0.00 N ATOM 1434 CA LYS A 86 12.678 -11.596 -18.893 1.00 0.00 C ATOM 1435 C LYS A 86 11.352 -11.692 -18.135 1.00 0.00 C ATOM 1436 O LYS A 86 10.287 -11.480 -18.713 1.00 0.00 O ATOM 1437 CB LYS A 86 13.144 -12.927 -19.488 1.00 0.00 C ATOM 1438 CG LYS A 86 13.974 -12.701 -20.754 1.00 0.00 C ATOM 1439 CD LYS A 86 13.091 -12.740 -22.003 1.00 0.00 C ATOM 1440 CE LYS A 86 13.015 -14.156 -22.577 1.00 0.00 C ATOM 1441 NZ LYS A 86 13.785 -14.246 -23.838 1.00 0.00 N ATOM 0 H LYS A 86 14.502 -11.656 -17.862 1.00 0.00 H new ATOM 0 HA LYS A 86 12.513 -10.933 -19.743 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.737 -13.471 -18.752 1.00 0.00 H new ATOM 0 HB3 LYS A 86 12.279 -13.548 -19.722 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.482 -11.738 -20.693 1.00 0.00 H new ATOM 0 HG3 LYS A 86 14.748 -13.465 -20.827 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.089 -12.390 -21.755 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.489 -12.060 -22.756 1.00 0.00 H new ATOM 0 HE2 LYS A 86 13.407 -14.870 -21.853 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.975 -14.426 -22.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.723 -15.214 -24.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.393 -13.579 -24.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 14.781 -14.009 -23.654 1.00 0.00 H new ATOM 1455 N LEU A 87 11.461 -12.011 -16.854 1.00 0.00 N ATOM 1456 CA LEU A 87 10.284 -12.137 -16.011 1.00 0.00 C ATOM 1457 C LEU A 87 9.738 -10.743 -15.694 1.00 0.00 C ATOM 1458 O LEU A 87 8.675 -10.612 -15.089 1.00 0.00 O ATOM 1459 CB LEU A 87 10.602 -12.970 -14.768 1.00 0.00 C ATOM 1460 CG LEU A 87 10.741 -14.478 -14.989 1.00 0.00 C ATOM 1461 CD1 LEU A 87 12.181 -14.849 -15.351 1.00 0.00 C ATOM 1462 CD2 LEU A 87 10.236 -15.259 -13.775 1.00 0.00 C ATOM 0 H LEU A 87 12.346 -12.186 -16.379 1.00 0.00 H new ATOM 0 HA LEU A 87 9.496 -12.677 -16.535 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.531 -12.599 -14.334 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.817 -12.802 -14.031 1.00 0.00 H new ATOM 0 HG LEU A 87 10.114 -14.758 -15.835 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.252 -15.926 -15.503 1.00 0.00 H new ATOM 0 HD12 LEU A 87 12.470 -14.334 -16.267 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.848 -14.552 -14.542 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.346 -16.328 -13.958 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.817 -14.980 -12.896 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.185 -15.027 -13.604 1.00 0.00 H new ATOM 1474 N LEU A 88 10.489 -9.738 -16.118 1.00 0.00 N ATOM 1475 CA LEU A 88 10.093 -8.359 -15.886 1.00 0.00 C ATOM 1476 C LEU A 88 9.864 -7.666 -17.231 1.00 0.00 C ATOM 1477 O LEU A 88 10.369 -8.115 -18.259 1.00 0.00 O ATOM 1478 CB LEU A 88 11.116 -7.650 -14.996 1.00 0.00 C ATOM 1479 CG LEU A 88 11.146 -8.088 -13.530 1.00 0.00 C ATOM 1480 CD1 LEU A 88 12.063 -9.298 -13.338 1.00 0.00 C ATOM 1481 CD2 LEU A 88 11.537 -6.923 -12.618 1.00 0.00 C ATOM 0 H LEU A 88 11.369 -9.850 -16.621 1.00 0.00 H new ATOM 0 HA LEU A 88 9.150 -8.320 -15.341 1.00 0.00 H new ATOM 0 HB2 LEU A 88 12.108 -7.805 -15.421 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.918 -6.579 -15.031 1.00 0.00 H new ATOM 0 HG LEU A 88 10.140 -8.397 -13.245 1.00 0.00 H new ATOM 0 HD11 LEU A 88 12.066 -9.589 -12.288 1.00 0.00 H new ATOM 0 HD12 LEU A 88 11.701 -10.129 -13.943 1.00 0.00 H new ATOM 0 HD13 LEU A 88 13.076 -9.039 -13.646 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.551 -7.261 -11.582 1.00 0.00 H new ATOM 0 HD22 LEU A 88 12.527 -6.561 -12.895 1.00 0.00 H new ATOM 0 HD23 LEU A 88 10.812 -6.116 -12.727 1.00 0.00 H new ATOM 1493 N PRO A 89 9.082 -6.554 -17.179 1.00 0.00 N ATOM 1494 CA PRO A 89 8.780 -5.795 -18.381 1.00 0.00 C ATOM 1495 C PRO A 89 9.988 -4.967 -18.825 1.00 0.00 C ATOM 1496 O PRO A 89 10.129 -3.810 -18.433 1.00 0.00 O ATOM 1497 CB PRO A 89 7.577 -4.942 -18.015 1.00 0.00 C ATOM 1498 CG PRO A 89 7.537 -4.907 -16.496 1.00 0.00 C ATOM 1499 CD PRO A 89 8.467 -5.993 -15.980 1.00 0.00 C ATOM 0 HA PRO A 89 8.554 -6.433 -19.236 1.00 0.00 H new ATOM 0 HB2 PRO A 89 7.671 -3.937 -18.426 1.00 0.00 H new ATOM 0 HB3 PRO A 89 6.659 -5.367 -18.420 1.00 0.00 H new ATOM 0 HG2 PRO A 89 7.850 -3.930 -16.128 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.521 -5.072 -16.137 1.00 0.00 H new ATOM 0 HD2 PRO A 89 9.218 -5.583 -15.304 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.918 -6.753 -15.424 1.00 0.00 H new ATOM 1507 N GLY A 90 10.828 -5.593 -19.636 1.00 0.00 N ATOM 1508 CA GLY A 90 12.019 -4.928 -20.137 1.00 0.00 C ATOM 1509 C GLY A 90 12.841 -4.337 -18.989 1.00 0.00 C ATOM 1510 O GLY A 90 12.477 -3.304 -18.429 1.00 0.00 O ATOM 0 H GLY A 90 10.708 -6.553 -19.959 1.00 0.00 H new ATOM 0 HA2 GLY A 90 12.628 -5.638 -20.697 1.00 0.00 H new ATOM 0 HA3 GLY A 90 11.734 -4.136 -20.830 1.00 0.00 H new ATOM 1514 N ARG A 91 13.933 -5.017 -18.673 1.00 0.00 N ATOM 1515 CA ARG A 91 14.808 -4.572 -17.603 1.00 0.00 C ATOM 1516 C ARG A 91 16.254 -4.981 -17.895 1.00 0.00 C ATOM 1517 O ARG A 91 17.079 -5.050 -16.986 1.00 0.00 O ATOM 1518 CB ARG A 91 14.380 -5.164 -16.259 1.00 0.00 C ATOM 1519 CG ARG A 91 13.188 -4.400 -15.678 1.00 0.00 C ATOM 1520 CD ARG A 91 13.622 -3.036 -15.138 1.00 0.00 C ATOM 1521 NE ARG A 91 12.448 -2.303 -14.613 1.00 0.00 N ATOM 1522 CZ ARG A 91 11.606 -1.592 -15.375 1.00 0.00 C ATOM 1523 NH1 ARG A 91 11.801 -1.514 -16.698 1.00 0.00 N ATOM 1524 NH2 ARG A 91 10.567 -0.959 -14.813 1.00 0.00 N ATOM 0 H ARG A 91 14.232 -5.873 -19.140 1.00 0.00 H new ATOM 0 HA ARG A 91 14.738 -3.486 -17.548 1.00 0.00 H new ATOM 0 HB2 ARG A 91 14.116 -6.214 -16.387 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.215 -5.129 -15.559 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.428 -4.265 -16.447 1.00 0.00 H new ATOM 0 HG3 ARG A 91 12.732 -4.984 -14.878 1.00 0.00 H new ATOM 0 HD2 ARG A 91 14.362 -3.167 -14.349 1.00 0.00 H new ATOM 0 HD3 ARG A 91 14.099 -2.457 -15.929 1.00 0.00 H new ATOM 0 HE ARG A 91 12.269 -2.342 -13.610 1.00 0.00 H new ATOM 0 HH11 ARG A 91 12.591 -1.996 -17.126 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.159 -0.972 -17.277 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.418 -1.019 -13.806 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.926 -0.418 -15.393 1.00 0.00 H new ATOM 1538 N THR A 92 16.516 -5.242 -19.168 1.00 0.00 N ATOM 1539 CA THR A 92 17.847 -5.642 -19.591 1.00 0.00 C ATOM 1540 C THR A 92 18.494 -6.540 -18.535 1.00 0.00 C ATOM 1541 O THR A 92 17.798 -7.202 -17.767 1.00 0.00 O ATOM 1542 CB THR A 92 18.650 -4.374 -19.885 1.00 0.00 C ATOM 1543 OG1 THR A 92 18.929 -3.832 -18.597 1.00 0.00 O ATOM 1544 CG2 THR A 92 17.810 -3.294 -20.570 1.00 0.00 C ATOM 0 H THR A 92 15.829 -5.184 -19.920 1.00 0.00 H new ATOM 0 HA THR A 92 17.810 -6.239 -20.502 1.00 0.00 H new ATOM 0 HB THR A 92 19.504 -4.624 -20.515 1.00 0.00 H new ATOM 0 HG1 THR A 92 19.449 -3.007 -18.695 1.00 0.00 H new ATOM 0 HG21 THR A 92 18.428 -2.416 -20.756 1.00 0.00 H new ATOM 0 HG22 THR A 92 17.428 -3.676 -21.517 1.00 0.00 H new ATOM 0 HG23 THR A 92 16.974 -3.020 -19.926 1.00 0.00 H new ATOM 1552 N ASP A 93 19.819 -6.535 -18.532 1.00 0.00 N ATOM 1553 CA ASP A 93 20.569 -7.341 -17.584 1.00 0.00 C ATOM 1554 C ASP A 93 21.354 -6.421 -16.647 1.00 0.00 C ATOM 1555 O ASP A 93 21.487 -6.707 -15.458 1.00 0.00 O ATOM 1556 CB ASP A 93 21.568 -8.249 -18.302 1.00 0.00 C ATOM 1557 CG ASP A 93 22.153 -7.674 -19.593 1.00 0.00 C ATOM 1558 OD1 ASP A 93 21.451 -7.763 -20.624 1.00 0.00 O ATOM 1559 OD2 ASP A 93 23.289 -7.157 -19.521 1.00 0.00 O ATOM 0 H ASP A 93 20.393 -5.985 -19.172 1.00 0.00 H new ATOM 0 HA ASP A 93 19.860 -7.954 -17.028 1.00 0.00 H new ATOM 0 HB2 ASP A 93 22.387 -8.475 -17.619 1.00 0.00 H new ATOM 0 HB3 ASP A 93 21.076 -9.194 -18.533 1.00 0.00 H new ATOM 1564 N ASN A 94 21.854 -5.335 -17.219 1.00 0.00 N ATOM 1565 CA ASN A 94 22.622 -4.371 -16.450 1.00 0.00 C ATOM 1566 C ASN A 94 21.708 -3.698 -15.424 1.00 0.00 C ATOM 1567 O ASN A 94 22.184 -3.043 -14.498 1.00 0.00 O ATOM 1568 CB ASN A 94 23.201 -3.281 -17.354 1.00 0.00 C ATOM 1569 CG ASN A 94 24.729 -3.347 -17.382 1.00 0.00 C ATOM 1570 OD1 ASN A 94 25.389 -3.499 -16.367 1.00 0.00 O ATOM 1571 ND2 ASN A 94 25.254 -3.223 -18.598 1.00 0.00 N ATOM 0 H ASN A 94 21.742 -5.102 -18.206 1.00 0.00 H new ATOM 0 HA ASN A 94 23.437 -4.904 -15.960 1.00 0.00 H new ATOM 0 HB2 ASN A 94 22.810 -3.396 -18.365 1.00 0.00 H new ATOM 0 HB3 ASN A 94 22.882 -2.301 -16.998 1.00 0.00 H new ATOM 0 HD21 ASN A 94 26.266 -3.253 -18.722 1.00 0.00 H new ATOM 0 HD22 ASN A 94 24.645 -3.098 -19.406 1.00 0.00 H new ATOM 1578 N ALA A 95 20.411 -3.884 -15.623 1.00 0.00 N ATOM 1579 CA ALA A 95 19.426 -3.303 -14.726 1.00 0.00 C ATOM 1580 C ALA A 95 19.307 -4.173 -13.474 1.00 0.00 C ATOM 1581 O ALA A 95 19.708 -3.761 -12.387 1.00 0.00 O ATOM 1582 CB ALA A 95 18.093 -3.153 -15.462 1.00 0.00 C ATOM 0 H ALA A 95 20.020 -4.428 -16.392 1.00 0.00 H new ATOM 0 HA ALA A 95 19.736 -2.308 -14.407 1.00 0.00 H new ATOM 0 HB1 ALA A 95 17.353 -2.717 -14.790 1.00 0.00 H new ATOM 0 HB2 ALA A 95 18.226 -2.502 -16.326 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.749 -4.132 -15.795 1.00 0.00 H new ATOM 1588 N VAL A 96 18.753 -5.361 -13.668 1.00 0.00 N ATOM 1589 CA VAL A 96 18.575 -6.293 -12.567 1.00 0.00 C ATOM 1590 C VAL A 96 19.936 -6.597 -11.938 1.00 0.00 C ATOM 1591 O VAL A 96 20.118 -6.428 -10.733 1.00 0.00 O ATOM 1592 CB VAL A 96 17.849 -7.547 -13.056 1.00 0.00 C ATOM 1593 CG1 VAL A 96 17.610 -8.526 -11.904 1.00 0.00 C ATOM 1594 CG2 VAL A 96 16.534 -7.185 -13.750 1.00 0.00 C ATOM 0 H VAL A 96 18.421 -5.700 -14.571 1.00 0.00 H new ATOM 0 HA VAL A 96 17.949 -5.853 -11.791 1.00 0.00 H new ATOM 0 HB VAL A 96 18.489 -8.040 -13.788 1.00 0.00 H new ATOM 0 HG11 VAL A 96 17.092 -9.409 -12.278 1.00 0.00 H new ATOM 0 HG12 VAL A 96 18.567 -8.822 -11.473 1.00 0.00 H new ATOM 0 HG13 VAL A 96 17.001 -8.045 -11.139 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.038 -8.095 -14.088 1.00 0.00 H new ATOM 0 HG22 VAL A 96 15.886 -6.658 -13.050 1.00 0.00 H new ATOM 0 HG23 VAL A 96 16.740 -6.544 -14.607 1.00 0.00 H new ATOM 1604 N LYS A 97 20.857 -7.039 -12.781 1.00 0.00 N ATOM 1605 CA LYS A 97 22.196 -7.368 -12.323 1.00 0.00 C ATOM 1606 C LYS A 97 22.635 -6.348 -11.270 1.00 0.00 C ATOM 1607 O LYS A 97 22.869 -6.702 -10.116 1.00 0.00 O ATOM 1608 CB LYS A 97 23.156 -7.481 -13.508 1.00 0.00 C ATOM 1609 CG LYS A 97 24.566 -7.845 -13.040 1.00 0.00 C ATOM 1610 CD LYS A 97 25.494 -8.091 -14.231 1.00 0.00 C ATOM 1611 CE LYS A 97 25.868 -6.775 -14.916 1.00 0.00 C ATOM 1612 NZ LYS A 97 27.329 -6.553 -14.848 1.00 0.00 N ATOM 0 H LYS A 97 20.702 -7.177 -13.780 1.00 0.00 H new ATOM 0 HA LYS A 97 22.204 -8.346 -11.843 1.00 0.00 H new ATOM 0 HB2 LYS A 97 22.793 -8.238 -14.203 1.00 0.00 H new ATOM 0 HB3 LYS A 97 23.182 -6.536 -14.051 1.00 0.00 H new ATOM 0 HG2 LYS A 97 24.967 -7.041 -12.423 1.00 0.00 H new ATOM 0 HG3 LYS A 97 24.526 -8.737 -12.415 1.00 0.00 H new ATOM 0 HD2 LYS A 97 26.397 -8.599 -13.894 1.00 0.00 H new ATOM 0 HD3 LYS A 97 25.005 -8.752 -14.947 1.00 0.00 H new ATOM 0 HE2 LYS A 97 25.545 -6.795 -15.957 1.00 0.00 H new ATOM 0 HE3 LYS A 97 25.346 -5.947 -14.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 27.566 -5.656 -15.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 27.628 -6.513 -13.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 27.821 -7.334 -15.326 1.00 0.00 H new ATOM 1626 N ASN A 98 22.734 -5.101 -11.707 1.00 0.00 N ATOM 1627 CA ASN A 98 23.140 -4.026 -10.817 1.00 0.00 C ATOM 1628 C ASN A 98 22.206 -3.991 -9.606 1.00 0.00 C ATOM 1629 O ASN A 98 22.662 -4.008 -8.464 1.00 0.00 O ATOM 1630 CB ASN A 98 23.057 -2.669 -11.518 1.00 0.00 C ATOM 1631 CG ASN A 98 24.019 -1.663 -10.882 1.00 0.00 C ATOM 1632 OD1 ASN A 98 23.834 -1.210 -9.765 1.00 0.00 O ATOM 1633 ND2 ASN A 98 25.053 -1.341 -11.654 1.00 0.00 N ATOM 0 H ASN A 98 22.540 -4.811 -12.665 1.00 0.00 H new ATOM 0 HA ASN A 98 24.170 -4.212 -10.513 1.00 0.00 H new ATOM 0 HB2 ASN A 98 23.295 -2.787 -12.575 1.00 0.00 H new ATOM 0 HB3 ASN A 98 22.037 -2.288 -11.461 1.00 0.00 H new ATOM 0 HD21 ASN A 98 25.752 -0.677 -11.320 1.00 0.00 H new ATOM 0 HD22 ASN A 98 25.147 -1.758 -12.580 1.00 0.00 H new ATOM 1640 N HIS A 99 20.914 -3.943 -9.898 1.00 0.00 N ATOM 1641 CA HIS A 99 19.911 -3.905 -8.847 1.00 0.00 C ATOM 1642 C HIS A 99 20.240 -4.957 -7.786 1.00 0.00 C ATOM 1643 O HIS A 99 19.853 -4.816 -6.626 1.00 0.00 O ATOM 1644 CB HIS A 99 18.506 -4.070 -9.430 1.00 0.00 C ATOM 1645 CG HIS A 99 17.402 -3.996 -8.403 1.00 0.00 C ATOM 1646 ND1 HIS A 99 16.174 -4.589 -8.370 1.00 0.00 N flip ATOM 1647 CD2 HIS A 99 17.501 -3.239 -7.249 1.00 0.00 C flip ATOM 1648 CE1 HIS A 99 15.558 -4.217 -7.255 1.00 0.00 C flip ATOM 1649 NE2 HIS A 99 16.379 -3.379 -6.559 1.00 0.00 N flip ATOM 0 H HIS A 99 20.539 -3.930 -10.847 1.00 0.00 H new ATOM 0 HA HIS A 99 19.926 -2.930 -8.360 1.00 0.00 H new ATOM 0 HB2 HIS A 99 18.342 -3.297 -10.181 1.00 0.00 H new ATOM 0 HB3 HIS A 99 18.447 -5.030 -9.943 1.00 0.00 H new ATOM 0 HD2 HIS A 99 18.349 -2.636 -6.960 1.00 0.00 H new ATOM 0 HE1 HIS A 99 14.570 -4.527 -6.949 1.00 0.00 H new ATOM 0 HE2 HIS A 99 16.166 -2.938 -5.664 1.00 0.00 H new ATOM 1657 N TRP A 100 20.949 -5.988 -8.220 1.00 0.00 N ATOM 1658 CA TRP A 100 21.335 -7.063 -7.322 1.00 0.00 C ATOM 1659 C TRP A 100 22.277 -6.482 -6.266 1.00 0.00 C ATOM 1660 O TRP A 100 21.922 -6.397 -5.091 1.00 0.00 O ATOM 1661 CB TRP A 100 21.951 -8.230 -8.096 1.00 0.00 C ATOM 1662 CG TRP A 100 21.691 -9.600 -7.467 1.00 0.00 C ATOM 1663 CD1 TRP A 100 22.582 -10.560 -7.184 1.00 0.00 C ATOM 1664 CD2 TRP A 100 20.414 -10.127 -7.051 1.00 0.00 C ATOM 1665 NE1 TRP A 100 21.975 -11.663 -6.619 1.00 0.00 N ATOM 1666 CE2 TRP A 100 20.614 -11.392 -6.536 1.00 0.00 C ATOM 1667 CE3 TRP A 100 19.131 -9.555 -7.110 1.00 0.00 C ATOM 1668 CZ2 TRP A 100 19.578 -12.190 -6.039 1.00 0.00 C ATOM 1669 CZ3 TRP A 100 18.105 -10.366 -6.609 1.00 0.00 C ATOM 1670 CH2 TRP A 100 18.291 -11.641 -6.087 1.00 0.00 C ATOM 0 H TRP A 100 21.267 -6.102 -9.183 1.00 0.00 H new ATOM 0 HA TRP A 100 20.461 -7.477 -6.819 1.00 0.00 H new ATOM 0 HB2 TRP A 100 21.556 -8.227 -9.112 1.00 0.00 H new ATOM 0 HB3 TRP A 100 23.027 -8.075 -8.172 1.00 0.00 H new ATOM 0 HD1 TRP A 100 23.642 -10.480 -7.374 1.00 0.00 H new ATOM 0 HE1 TRP A 100 22.440 -12.520 -6.318 1.00 0.00 H new ATOM 0 HE3 TRP A 100 18.951 -8.568 -7.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 19.761 -13.177 -5.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 17.099 -9.974 -6.630 1.00 0.00 H new ATOM 0 HH2 TRP A 100 17.446 -12.205 -5.720 1.00 0.00 H new ATOM 1681 N ASN A 101 23.460 -6.097 -6.722 1.00 0.00 N ATOM 1682 CA ASN A 101 24.456 -5.526 -5.831 1.00 0.00 C ATOM 1683 C ASN A 101 23.987 -4.146 -5.366 1.00 0.00 C ATOM 1684 O ASN A 101 24.649 -3.504 -4.552 1.00 0.00 O ATOM 1685 CB ASN A 101 25.798 -5.354 -6.544 1.00 0.00 C ATOM 1686 CG ASN A 101 26.463 -6.709 -6.798 1.00 0.00 C ATOM 1687 OD1 ASN A 101 26.875 -7.407 -5.886 1.00 0.00 O ATOM 1688 ND2 ASN A 101 26.543 -7.040 -8.083 1.00 0.00 N ATOM 0 H ASN A 101 23.751 -6.169 -7.697 1.00 0.00 H new ATOM 0 HA ASN A 101 24.581 -6.203 -4.986 1.00 0.00 H new ATOM 0 HB2 ASN A 101 25.647 -4.836 -7.491 1.00 0.00 H new ATOM 0 HB3 ASN A 101 26.457 -4.729 -5.941 1.00 0.00 H new ATOM 0 HD21 ASN A 101 26.970 -7.925 -8.356 1.00 0.00 H new ATOM 0 HD22 ASN A 101 26.178 -6.409 -8.796 1.00 0.00 H new ATOM 1695 N SER A 102 22.850 -3.730 -5.904 1.00 0.00 N ATOM 1696 CA SER A 102 22.285 -2.438 -5.554 1.00 0.00 C ATOM 1697 C SER A 102 21.708 -2.485 -4.138 1.00 0.00 C ATOM 1698 O SER A 102 22.350 -2.040 -3.187 1.00 0.00 O ATOM 1699 CB SER A 102 21.204 -2.021 -6.553 1.00 0.00 C ATOM 1700 OG SER A 102 21.729 -1.853 -7.868 1.00 0.00 O ATOM 0 H SER A 102 22.305 -4.265 -6.580 1.00 0.00 H new ATOM 0 HA SER A 102 23.082 -1.695 -5.590 1.00 0.00 H new ATOM 0 HB2 SER A 102 20.416 -2.774 -6.570 1.00 0.00 H new ATOM 0 HB3 SER A 102 20.746 -1.088 -6.223 1.00 0.00 H new ATOM 0 HG SER A 102 22.552 -2.378 -7.961 1.00 0.00 H new ATOM 1706 N THR A 103 20.504 -3.029 -4.041 1.00 0.00 N ATOM 1707 CA THR A 103 19.834 -3.139 -2.756 1.00 0.00 C ATOM 1708 C THR A 103 19.461 -4.596 -2.473 1.00 0.00 C ATOM 1709 O THR A 103 19.109 -4.943 -1.347 1.00 0.00 O ATOM 1710 CB THR A 103 18.629 -2.196 -2.768 1.00 0.00 C ATOM 1711 OG1 THR A 103 19.172 -0.935 -2.385 1.00 0.00 O ATOM 1712 CG2 THR A 103 17.622 -2.519 -1.663 1.00 0.00 C ATOM 0 H THR A 103 19.975 -3.398 -4.831 1.00 0.00 H new ATOM 0 HA THR A 103 20.492 -2.839 -1.940 1.00 0.00 H new ATOM 0 HB THR A 103 18.134 -2.252 -3.738 1.00 0.00 H new ATOM 0 HG1 THR A 103 18.654 -0.215 -2.802 1.00 0.00 H new ATOM 0 HG21 THR A 103 16.787 -1.821 -1.716 1.00 0.00 H new ATOM 0 HG22 THR A 103 17.253 -3.536 -1.793 1.00 0.00 H new ATOM 0 HG23 THR A 103 18.107 -2.431 -0.691 1.00 0.00 H new ATOM 1720 N ILE A 104 19.553 -5.410 -3.515 1.00 0.00 N ATOM 1721 CA ILE A 104 19.230 -6.821 -3.392 1.00 0.00 C ATOM 1722 C ILE A 104 20.495 -7.599 -3.025 1.00 0.00 C ATOM 1723 O ILE A 104 20.646 -8.760 -3.404 1.00 0.00 O ATOM 1724 CB ILE A 104 18.544 -7.327 -4.663 1.00 0.00 C ATOM 1725 CG1 ILE A 104 17.640 -6.248 -5.264 1.00 0.00 C ATOM 1726 CG2 ILE A 104 17.784 -8.628 -4.396 1.00 0.00 C ATOM 1727 CD1 ILE A 104 17.183 -6.638 -6.671 1.00 0.00 C ATOM 0 H ILE A 104 19.846 -5.119 -4.448 1.00 0.00 H new ATOM 0 HA ILE A 104 18.513 -6.979 -2.586 1.00 0.00 H new ATOM 0 HB ILE A 104 19.314 -7.550 -5.401 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.771 -6.099 -4.624 1.00 0.00 H new ATOM 0 HG13 ILE A 104 18.175 -5.299 -5.301 1.00 0.00 H new ATOM 0 HG21 ILE A 104 17.306 -8.965 -5.316 1.00 0.00 H new ATOM 0 HG22 ILE A 104 18.480 -9.391 -4.048 1.00 0.00 H new ATOM 0 HG23 ILE A 104 17.024 -8.455 -3.634 1.00 0.00 H new ATOM 0 HD11 ILE A 104 16.542 -5.855 -7.076 1.00 0.00 H new ATOM 0 HD12 ILE A 104 18.054 -6.763 -7.315 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.627 -7.575 -6.626 1.00 0.00 H new ATOM 1739 N LYS A 105 21.372 -6.929 -2.292 1.00 0.00 N ATOM 1740 CA LYS A 105 22.619 -7.543 -1.870 1.00 0.00 C ATOM 1741 C LYS A 105 23.022 -6.982 -0.504 1.00 0.00 C ATOM 1742 O LYS A 105 23.243 -5.780 -0.364 1.00 0.00 O ATOM 1743 CB LYS A 105 23.692 -7.372 -2.946 1.00 0.00 C ATOM 1744 CG LYS A 105 23.464 -8.341 -4.108 1.00 0.00 C ATOM 1745 CD LYS A 105 23.745 -9.783 -3.681 1.00 0.00 C ATOM 1746 CE LYS A 105 25.223 -9.974 -3.335 1.00 0.00 C ATOM 1747 NZ LYS A 105 25.542 -11.413 -3.197 1.00 0.00 N ATOM 0 H LYS A 105 21.243 -5.967 -1.980 1.00 0.00 H new ATOM 0 HA LYS A 105 22.492 -8.619 -1.748 1.00 0.00 H new ATOM 0 HB2 LYS A 105 23.681 -6.347 -3.316 1.00 0.00 H new ATOM 0 HB3 LYS A 105 24.677 -7.544 -2.513 1.00 0.00 H new ATOM 0 HG2 LYS A 105 22.436 -8.256 -4.461 1.00 0.00 H new ATOM 0 HG3 LYS A 105 24.111 -8.072 -4.943 1.00 0.00 H new ATOM 0 HD2 LYS A 105 23.130 -10.037 -2.818 1.00 0.00 H new ATOM 0 HD3 LYS A 105 23.465 -10.465 -4.484 1.00 0.00 H new ATOM 0 HE2 LYS A 105 25.845 -9.531 -4.113 1.00 0.00 H new ATOM 0 HE3 LYS A 105 25.455 -9.453 -2.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 26.549 -11.524 -2.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 24.962 -11.826 -2.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 25.339 -11.901 -4.093 1.00 0.00 H new ATOM 1761 N ARG A 106 23.105 -7.879 0.467 1.00 0.00 N ATOM 1762 CA ARG A 106 23.478 -7.489 1.816 1.00 0.00 C ATOM 1763 C ARG A 106 24.987 -7.253 1.903 1.00 0.00 C ATOM 1764 O ARG A 106 25.434 -6.114 2.029 1.00 0.00 O ATOM 1765 CB ARG A 106 23.077 -8.562 2.831 1.00 0.00 C ATOM 1766 CG ARG A 106 21.609 -8.414 3.234 1.00 0.00 C ATOM 1767 CD ARG A 106 20.797 -9.637 2.803 1.00 0.00 C ATOM 1768 NE ARG A 106 20.495 -9.561 1.357 1.00 0.00 N ATOM 1769 CZ ARG A 106 19.454 -8.894 0.840 1.00 0.00 C ATOM 1770 NH1 ARG A 106 18.608 -8.241 1.650 1.00 0.00 N ATOM 1771 NH2 ARG A 106 19.258 -8.879 -0.485 1.00 0.00 N ATOM 0 H ARG A 106 22.920 -8.875 0.347 1.00 0.00 H new ATOM 0 HA ARG A 106 22.948 -6.566 2.052 1.00 0.00 H new ATOM 0 HB2 ARG A 106 23.243 -9.551 2.404 1.00 0.00 H new ATOM 0 HB3 ARG A 106 23.710 -8.486 3.715 1.00 0.00 H new ATOM 0 HG2 ARG A 106 21.536 -8.286 4.314 1.00 0.00 H new ATOM 0 HG3 ARG A 106 21.191 -7.516 2.778 1.00 0.00 H new ATOM 0 HD2 ARG A 106 21.355 -10.548 3.019 1.00 0.00 H new ATOM 0 HD3 ARG A 106 19.870 -9.688 3.374 1.00 0.00 H new ATOM 0 HE ARG A 106 21.119 -10.047 0.713 1.00 0.00 H new ATOM 0 HH11 ARG A 106 18.757 -8.252 2.659 1.00 0.00 H new ATOM 0 HH12 ARG A 106 17.815 -7.733 1.257 1.00 0.00 H new ATOM 0 HH21 ARG A 106 19.901 -9.376 -1.101 1.00 0.00 H new ATOM 0 HH22 ARG A 106 18.465 -8.371 -0.878 1.00 0.00 H new ATOM 1785 N LYS A 107 25.730 -8.347 1.831 1.00 0.00 N ATOM 1786 CA LYS A 107 27.179 -8.274 1.900 1.00 0.00 C ATOM 1787 C LYS A 107 27.713 -7.617 0.625 1.00 0.00 C ATOM 1788 O LYS A 107 28.222 -8.300 -0.263 1.00 0.00 O ATOM 1789 CB LYS A 107 27.774 -9.656 2.175 1.00 0.00 C ATOM 1790 CG LYS A 107 29.197 -9.762 1.622 1.00 0.00 C ATOM 1791 CD LYS A 107 30.110 -10.507 2.597 1.00 0.00 C ATOM 1792 CE LYS A 107 31.580 -10.166 2.340 1.00 0.00 C ATOM 1793 NZ LYS A 107 32.460 -11.212 2.907 1.00 0.00 N ATOM 0 H LYS A 107 25.355 -9.290 1.725 1.00 0.00 H new ATOM 0 HA LYS A 107 27.489 -7.648 2.737 1.00 0.00 H new ATOM 0 HB2 LYS A 107 27.782 -9.845 3.248 1.00 0.00 H new ATOM 0 HB3 LYS A 107 27.146 -10.423 1.721 1.00 0.00 H new ATOM 0 HG2 LYS A 107 29.181 -10.282 0.664 1.00 0.00 H new ATOM 0 HG3 LYS A 107 29.594 -8.764 1.437 1.00 0.00 H new ATOM 0 HD2 LYS A 107 29.846 -10.245 3.621 1.00 0.00 H new ATOM 0 HD3 LYS A 107 29.959 -11.582 2.494 1.00 0.00 H new ATOM 0 HE2 LYS A 107 31.757 -10.075 1.268 1.00 0.00 H new ATOM 0 HE3 LYS A 107 31.819 -9.200 2.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 33.454 -10.966 2.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 32.303 -11.279 3.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 32.243 -12.127 2.463 1.00 0.00 H new ATOM 1807 N VAL A 108 27.579 -6.300 0.576 1.00 0.00 N ATOM 1808 CA VAL A 108 28.042 -5.544 -0.576 1.00 0.00 C ATOM 1809 C VAL A 108 28.459 -4.142 -0.125 1.00 0.00 C ATOM 1810 O VAL A 108 29.557 -3.686 -0.440 1.00 0.00 O ATOM 1811 CB VAL A 108 26.962 -5.527 -1.659 1.00 0.00 C ATOM 1812 CG1 VAL A 108 26.436 -4.109 -1.887 1.00 0.00 C ATOM 1813 CG2 VAL A 108 27.485 -6.134 -2.963 1.00 0.00 C ATOM 0 H VAL A 108 27.157 -5.737 1.315 1.00 0.00 H new ATOM 0 HA VAL A 108 28.918 -6.018 -1.018 1.00 0.00 H new ATOM 0 HB VAL A 108 26.130 -6.141 -1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 108 25.669 -4.125 -2.662 1.00 0.00 H new ATOM 0 HG12 VAL A 108 26.007 -3.727 -0.961 1.00 0.00 H new ATOM 0 HG13 VAL A 108 27.256 -3.463 -2.201 1.00 0.00 H new ATOM 0 HG21 VAL A 108 26.698 -6.110 -3.717 1.00 0.00 H new ATOM 0 HG22 VAL A 108 28.342 -5.559 -3.314 1.00 0.00 H new ATOM 0 HG23 VAL A 108 27.788 -7.166 -2.788 1.00 0.00 H new ATOM 1823 N ASP A 109 27.559 -3.498 0.604 1.00 0.00 N ATOM 1824 CA ASP A 109 27.819 -2.157 1.100 1.00 0.00 C ATOM 1825 C ASP A 109 28.573 -1.360 0.033 1.00 0.00 C ATOM 1826 O ASP A 109 29.761 -1.080 0.186 1.00 0.00 O ATOM 1827 CB ASP A 109 28.685 -2.195 2.361 1.00 0.00 C ATOM 1828 CG ASP A 109 29.337 -0.863 2.738 1.00 0.00 C ATOM 1829 OD1 ASP A 109 28.612 0.154 2.701 1.00 0.00 O ATOM 1830 OD2 ASP A 109 30.545 -0.893 3.056 1.00 0.00 O ATOM 0 H ASP A 109 26.649 -3.880 0.863 1.00 0.00 H new ATOM 0 HA ASP A 109 26.861 -1.692 1.333 1.00 0.00 H new ATOM 0 HB2 ASP A 109 28.070 -2.530 3.196 1.00 0.00 H new ATOM 0 HB3 ASP A 109 29.469 -2.940 2.223 1.00 0.00 H new ATOM 1835 N THR A 110 27.851 -1.017 -1.024 1.00 0.00 N ATOM 1836 CA THR A 110 28.437 -0.258 -2.115 1.00 0.00 C ATOM 1837 C THR A 110 29.542 -1.069 -2.796 1.00 0.00 C ATOM 1838 O THR A 110 29.678 -2.267 -2.552 1.00 0.00 O ATOM 1839 CB THR A 110 28.922 1.080 -1.554 1.00 0.00 C ATOM 1840 OG1 THR A 110 27.796 1.942 -1.691 1.00 0.00 O ATOM 1841 CG2 THR A 110 29.997 1.727 -2.430 1.00 0.00 C ATOM 0 H THR A 110 26.866 -1.251 -1.148 1.00 0.00 H new ATOM 0 HA THR A 110 27.702 -0.052 -2.893 1.00 0.00 H new ATOM 0 HB THR A 110 29.315 0.931 -0.548 1.00 0.00 H new ATOM 0 HG1 THR A 110 28.022 2.832 -1.349 1.00 0.00 H new ATOM 0 HG21 THR A 110 30.306 2.674 -1.987 1.00 0.00 H new ATOM 0 HG22 THR A 110 30.857 1.062 -2.501 1.00 0.00 H new ATOM 0 HG23 THR A 110 29.594 1.907 -3.427 1.00 0.00 H new TER 1849 THR A 110