USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 913 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 35 ASN : amide:sc= -0.92 K(o=-0.79,f=-15!) USER MOD Set 1.2: A 57 HIS : no HD1:sc= 0.13 K(o=-0.79,f=-8.5!) USER MOD Set 2.1: A 23 CYS SG : rot 140:sc= -0.328 USER MOD Set 2.2: A 26 CYS SG : rot -54:sc= -2.14 USER MOD Set 2.3: A 43 CYS SG : rot -129:sc= 1.44 USER MOD Set 2.4: A 46 CYS SG : rot 141:sc= -0.789 USER MOD Set 3.1: A 32 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 44 THR OG1 : rot -38:sc= 0.414 USER MOD Set 4.1: A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 76 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.0054) USER MOD Single : A 9 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.00182) USER MOD Single : A 14 MET CE :methyl -142:sc= -5.23! (180deg=-8.37!) USER MOD Single : A 15 THR OG1 : rot 1:sc= 0.181 USER MOD Single : A 19 HIS : no HE2:sc= -6.77! C(o=-6.8!,f=-9.8!) USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 22 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0124) USER MOD Single : A 28 GLN : amide:sc= -0.648 K(o=-0.65,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.134 USER MOD Single : A 36 MET CE :methyl -153:sc= -0.32 (180deg=-1.81!) USER MOD Single : A 37 THR OG1 : rot -170:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -58:sc= 1.16 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -1.03 K(o=-1,f=-8.6!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -23:sc= 1.02 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -160:sc= -3.05! USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.141 USER MOD Single : A 69 GLN : amide:sc= -0.55 K(o=-0.55,f=-1.9) USER MOD Single : A 70 GLN : amide:sc= -0.0774 K(o=-0.077,f=-0.82) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 80 ASN : amide:sc= -0.601! C(o=-0.6!,f=-10!) USER MOD Single : A 83 CYS SG : rot 180:sc= -1.58 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc= -0.352 X(o=-0.35,f=-0.61) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -0.0867 X(o=-0.087,f=0) USER MOD Single : A 114 LYS NZ :NH3+ -161:sc= -1.75! (180deg=-2.42!) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 3.424 -20.640 5.327 1.00 0.00 N ATOM 60 CA GLY A 7 3.358 -19.238 4.960 1.00 0.00 C ATOM 61 C GLY A 7 2.777 -18.376 6.063 1.00 0.00 C ATOM 62 O GLY A 7 3.407 -17.416 6.508 1.00 0.00 O ATOM 0 HA2 GLY A 7 4.359 -18.883 4.715 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.752 -19.129 4.061 1.00 0.00 H new ATOM 66 N LEU A 8 1.571 -18.716 6.504 1.00 0.00 N ATOM 67 CA LEU A 8 0.903 -17.965 7.561 1.00 0.00 C ATOM 68 C LEU A 8 1.876 -17.624 8.685 1.00 0.00 C ATOM 69 O LEU A 8 1.925 -16.487 9.155 1.00 0.00 O ATOM 70 CB LEU A 8 -0.275 -18.767 8.117 1.00 0.00 C ATOM 71 CG LEU A 8 -1.546 -18.771 7.267 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.526 -19.931 6.283 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.781 -18.842 8.153 1.00 0.00 C ATOM 0 H LEU A 8 1.036 -19.507 6.146 1.00 0.00 H new ATOM 0 HA LEU A 8 0.531 -17.034 7.132 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.048 -19.799 8.257 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.523 -18.374 9.103 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.584 -17.841 6.700 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.438 -19.918 5.687 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.662 -19.836 5.626 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.464 -20.871 6.830 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.676 -18.844 7.531 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.750 -19.755 8.747 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.803 -17.978 8.817 1.00 0.00 H new ATOM 85 N LYS A 9 2.652 -18.616 9.111 1.00 0.00 N ATOM 86 CA LYS A 9 3.627 -18.422 10.177 1.00 0.00 C ATOM 87 C LYS A 9 4.259 -17.036 10.090 1.00 0.00 C ATOM 88 O LYS A 9 4.485 -16.382 11.108 1.00 0.00 O ATOM 89 CB LYS A 9 4.715 -19.495 10.102 1.00 0.00 C ATOM 90 CG LYS A 9 5.438 -19.721 11.419 1.00 0.00 C ATOM 91 CD LYS A 9 6.617 -20.666 11.253 1.00 0.00 C ATOM 92 CE LYS A 9 6.978 -21.342 12.567 1.00 0.00 C ATOM 93 NZ LYS A 9 6.050 -22.461 12.888 1.00 0.00 N ATOM 0 H LYS A 9 2.624 -19.563 8.733 1.00 0.00 H new ATOM 0 HA LYS A 9 3.107 -18.506 11.131 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.266 -20.434 9.778 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.443 -19.210 9.342 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.788 -18.766 11.811 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.742 -20.131 12.151 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.376 -21.423 10.507 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.478 -20.113 10.878 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.999 -21.721 12.512 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.954 -20.608 13.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.023 -22.605 13.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.096 -22.230 12.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.382 -23.331 12.425 1.00 0.00 H new ATOM 107 N MET A 10 4.540 -16.594 8.869 1.00 0.00 N ATOM 108 CA MET A 10 5.143 -15.284 8.651 1.00 0.00 C ATOM 109 C MET A 10 4.101 -14.178 8.778 1.00 0.00 C ATOM 110 O MET A 10 4.365 -13.126 9.363 1.00 0.00 O ATOM 111 CB MET A 10 5.801 -15.225 7.271 1.00 0.00 C ATOM 112 CG MET A 10 7.125 -15.968 7.197 1.00 0.00 C ATOM 113 SD MET A 10 8.129 -15.460 5.787 1.00 0.00 S ATOM 114 CE MET A 10 9.505 -14.671 6.618 1.00 0.00 C ATOM 0 H MET A 10 4.360 -17.123 8.016 1.00 0.00 H new ATOM 0 HA MET A 10 5.905 -15.131 9.415 1.00 0.00 H new ATOM 0 HB2 MET A 10 5.117 -15.644 6.533 1.00 0.00 H new ATOM 0 HB3 MET A 10 5.963 -14.182 6.999 1.00 0.00 H new ATOM 0 HG2 MET A 10 7.685 -15.798 8.117 1.00 0.00 H new ATOM 0 HG3 MET A 10 6.933 -17.039 7.134 1.00 0.00 H new ATOM 0 HE1 MET A 10 10.215 -14.303 5.877 1.00 0.00 H new ATOM 0 HE2 MET A 10 9.139 -13.836 7.216 1.00 0.00 H new ATOM 0 HE3 MET A 10 10.000 -15.393 7.268 1.00 0.00 H new ATOM 124 N LEU A 11 2.917 -14.421 8.227 1.00 0.00 N ATOM 125 CA LEU A 11 1.834 -13.444 8.278 1.00 0.00 C ATOM 126 C LEU A 11 1.818 -12.720 9.620 1.00 0.00 C ATOM 127 O LEU A 11 1.701 -11.495 9.675 1.00 0.00 O ATOM 128 CB LEU A 11 0.489 -14.132 8.041 1.00 0.00 C ATOM 129 CG LEU A 11 -0.653 -13.230 7.573 1.00 0.00 C ATOM 130 CD1 LEU A 11 -0.164 -12.257 6.511 1.00 0.00 C ATOM 131 CD2 LEU A 11 -1.809 -14.065 7.042 1.00 0.00 C ATOM 0 H LEU A 11 2.682 -15.286 7.740 1.00 0.00 H new ATOM 0 HA LEU A 11 2.003 -12.709 7.491 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.631 -14.918 7.300 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.184 -14.619 8.967 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.009 -12.654 8.427 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.991 -11.623 6.190 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.630 -11.636 6.925 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.219 -12.814 5.656 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.613 -13.406 6.713 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.466 -14.667 6.200 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.177 -14.721 7.831 1.00 0.00 H new ATOM 143 N ARG A 12 1.938 -13.484 10.701 1.00 0.00 N ATOM 144 CA ARG A 12 1.939 -12.914 12.043 1.00 0.00 C ATOM 145 C ARG A 12 3.102 -11.944 12.222 1.00 0.00 C ATOM 146 O ARG A 12 2.916 -10.811 12.668 1.00 0.00 O ATOM 147 CB ARG A 12 2.022 -14.025 13.092 1.00 0.00 C ATOM 148 CG ARG A 12 1.868 -13.528 14.520 1.00 0.00 C ATOM 149 CD ARG A 12 2.535 -14.467 15.512 1.00 0.00 C ATOM 150 NE ARG A 12 1.884 -14.435 16.819 1.00 0.00 N ATOM 151 CZ ARG A 12 2.385 -15.015 17.904 1.00 0.00 C ATOM 152 NH1 ARG A 12 3.537 -15.669 17.838 1.00 0.00 N ATOM 153 NH2 ARG A 12 1.734 -14.942 19.058 1.00 0.00 N ATOM 0 H ARG A 12 2.036 -14.499 10.674 1.00 0.00 H new ATOM 0 HA ARG A 12 1.007 -12.365 12.177 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.247 -14.764 12.888 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.981 -14.534 12.995 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.305 -12.533 14.609 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.809 -13.434 14.762 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.512 -15.484 15.120 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.584 -14.192 15.623 1.00 0.00 H new ATOM 0 HE ARG A 12 0.996 -13.940 16.903 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.040 -15.727 16.953 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.920 -16.113 18.673 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.848 -14.440 19.113 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.120 -15.388 19.890 1.00 0.00 H new ATOM 167 N ASP A 13 4.301 -12.395 11.872 1.00 0.00 N ATOM 168 CA ASP A 13 5.496 -11.567 11.993 1.00 0.00 C ATOM 169 C ASP A 13 5.205 -10.130 11.570 1.00 0.00 C ATOM 170 O ASP A 13 5.675 -9.182 12.197 1.00 0.00 O ATOM 171 CB ASP A 13 6.630 -12.143 11.143 1.00 0.00 C ATOM 172 CG ASP A 13 6.873 -13.613 11.422 1.00 0.00 C ATOM 173 OD1 ASP A 13 5.887 -14.378 11.477 1.00 0.00 O ATOM 174 OD2 ASP A 13 8.049 -13.999 11.584 1.00 0.00 O ATOM 0 H ASP A 13 4.472 -13.330 11.502 1.00 0.00 H new ATOM 0 HA ASP A 13 5.803 -11.564 13.039 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.392 -12.011 10.087 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.545 -11.583 11.336 1.00 0.00 H new ATOM 179 N MET A 14 4.430 -9.978 10.502 1.00 0.00 N ATOM 180 CA MET A 14 4.077 -8.657 9.995 1.00 0.00 C ATOM 181 C MET A 14 3.085 -7.965 10.925 1.00 0.00 C ATOM 182 O MET A 14 3.289 -6.818 11.325 1.00 0.00 O ATOM 183 CB MET A 14 3.484 -8.768 8.589 1.00 0.00 C ATOM 184 CG MET A 14 4.477 -9.258 7.548 1.00 0.00 C ATOM 185 SD MET A 14 4.477 -11.054 7.380 1.00 0.00 S ATOM 186 CE MET A 14 3.636 -11.247 5.810 1.00 0.00 C ATOM 0 H MET A 14 4.034 -10.753 9.970 1.00 0.00 H new ATOM 0 HA MET A 14 4.986 -8.057 9.951 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.632 -9.448 8.615 1.00 0.00 H new ATOM 0 HB3 MET A 14 3.104 -7.792 8.286 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.240 -8.807 6.585 1.00 0.00 H new ATOM 0 HG3 MET A 14 5.478 -8.922 7.820 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.983 -12.118 5.852 1.00 0.00 H new ATOM 0 HE2 MET A 14 3.041 -10.357 5.604 1.00 0.00 H new ATOM 0 HE3 MET A 14 4.372 -11.383 5.017 1.00 0.00 H new ATOM 196 N THR A 15 2.010 -8.669 11.266 1.00 0.00 N ATOM 197 CA THR A 15 0.986 -8.122 12.147 1.00 0.00 C ATOM 198 C THR A 15 1.593 -7.635 13.458 1.00 0.00 C ATOM 199 O THR A 15 0.964 -6.884 14.203 1.00 0.00 O ATOM 200 CB THR A 15 -0.105 -9.165 12.456 1.00 0.00 C ATOM 201 OG1 THR A 15 0.486 -10.340 13.022 1.00 0.00 O ATOM 202 CG2 THR A 15 -0.872 -9.535 11.195 1.00 0.00 C ATOM 0 H THR A 15 1.826 -9.620 10.945 1.00 0.00 H new ATOM 0 HA THR A 15 0.535 -7.280 11.623 1.00 0.00 H new ATOM 0 HB THR A 15 -0.801 -8.728 13.172 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.454 -10.213 13.102 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.637 -10.273 11.438 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.345 -8.644 10.782 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.184 -9.954 10.460 1.00 0.00 H new ATOM 210 N GLY A 16 2.820 -8.066 13.734 1.00 0.00 N ATOM 211 CA GLY A 16 3.491 -7.662 14.956 1.00 0.00 C ATOM 212 C GLY A 16 4.185 -6.322 14.820 1.00 0.00 C ATOM 213 O GLY A 16 4.151 -5.500 15.738 1.00 0.00 O ATOM 0 H GLY A 16 3.361 -8.688 13.133 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.764 -7.610 15.766 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.223 -8.421 15.233 1.00 0.00 H new ATOM 217 N LEU A 17 4.819 -6.099 13.674 1.00 0.00 N ATOM 218 CA LEU A 17 5.526 -4.849 13.422 1.00 0.00 C ATOM 219 C LEU A 17 4.726 -3.656 13.936 1.00 0.00 C ATOM 220 O LEU A 17 3.500 -3.699 14.041 1.00 0.00 O ATOM 221 CB LEU A 17 5.799 -4.687 11.925 1.00 0.00 C ATOM 222 CG LEU A 17 6.798 -5.670 11.315 1.00 0.00 C ATOM 223 CD1 LEU A 17 6.753 -5.603 9.796 1.00 0.00 C ATOM 224 CD2 LEU A 17 8.204 -5.386 11.822 1.00 0.00 C ATOM 0 H LEU A 17 4.858 -6.768 12.905 1.00 0.00 H new ATOM 0 HA LEU A 17 6.475 -4.884 13.957 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.853 -4.783 11.391 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.163 -3.675 11.750 1.00 0.00 H new ATOM 0 HG LEU A 17 6.520 -6.678 11.622 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.471 -6.310 9.379 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.751 -5.857 9.450 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.005 -4.594 9.469 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.901 -6.096 11.377 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.492 -4.372 11.546 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.227 -5.487 12.907 1.00 0.00 H new ATOM 236 N PRO A 18 5.434 -2.565 14.263 1.00 0.00 N ATOM 237 CA PRO A 18 4.810 -1.339 14.770 1.00 0.00 C ATOM 238 C PRO A 18 4.003 -0.614 13.698 1.00 0.00 C ATOM 239 O PRO A 18 2.922 -0.090 13.969 1.00 0.00 O ATOM 240 CB PRO A 18 6.004 -0.487 15.207 1.00 0.00 C ATOM 241 CG PRO A 18 7.141 -0.975 14.377 1.00 0.00 C ATOM 242 CD PRO A 18 6.898 -2.444 14.164 1.00 0.00 C ATOM 0 HA PRO A 18 4.100 -1.545 15.571 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.817 0.573 15.038 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.209 -0.609 16.271 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.185 -0.445 13.426 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.093 -0.806 14.881 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.264 -2.775 13.192 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.403 -3.048 14.917 1.00 0.00 H new ATOM 250 N HIS A 19 4.534 -0.589 12.480 1.00 0.00 N ATOM 251 CA HIS A 19 3.861 0.071 11.366 1.00 0.00 C ATOM 252 C HIS A 19 2.655 -0.739 10.903 1.00 0.00 C ATOM 253 O HIS A 19 1.913 -0.314 10.018 1.00 0.00 O ATOM 254 CB HIS A 19 4.833 0.272 10.203 1.00 0.00 C ATOM 255 CG HIS A 19 5.719 -0.909 9.952 1.00 0.00 C ATOM 256 ND1 HIS A 19 6.904 -1.117 10.624 1.00 0.00 N ATOM 257 CD2 HIS A 19 5.586 -1.949 9.096 1.00 0.00 C ATOM 258 CE1 HIS A 19 7.463 -2.234 10.193 1.00 0.00 C ATOM 259 NE2 HIS A 19 6.682 -2.758 9.265 1.00 0.00 N ATOM 0 H HIS A 19 5.428 -1.018 12.239 1.00 0.00 H new ATOM 0 HA HIS A 19 3.511 1.044 11.710 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.265 0.488 9.298 1.00 0.00 H new ATOM 0 HB3 HIS A 19 5.454 1.145 10.406 1.00 0.00 H new ATOM 0 HD1 HIS A 19 7.290 -0.504 11.342 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.770 -2.112 8.408 1.00 0.00 H new ATOM 0 HE1 HIS A 19 8.398 -2.648 10.540 1.00 0.00 H new ATOM 267 N ASN A 20 2.466 -1.908 11.506 1.00 0.00 N ATOM 268 CA ASN A 20 1.351 -2.779 11.154 1.00 0.00 C ATOM 269 C ASN A 20 0.515 -3.117 12.384 1.00 0.00 C ATOM 270 O ASN A 20 0.010 -4.232 12.518 1.00 0.00 O ATOM 271 CB ASN A 20 1.866 -4.065 10.504 1.00 0.00 C ATOM 272 CG ASN A 20 2.488 -3.817 9.144 1.00 0.00 C ATOM 273 OD1 ASN A 20 2.219 -2.802 8.502 1.00 0.00 O ATOM 274 ND2 ASN A 20 3.324 -4.747 8.698 1.00 0.00 N ATOM 0 H ASN A 20 3.071 -2.274 12.241 1.00 0.00 H new ATOM 0 HA ASN A 20 0.719 -2.248 10.442 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.604 -4.529 11.158 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.042 -4.771 10.400 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.773 -4.636 7.789 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.518 -5.573 9.265 1.00 0.00 H new ATOM 281 N ARG A 21 0.372 -2.146 13.281 1.00 0.00 N ATOM 282 CA ARG A 21 -0.402 -2.340 14.501 1.00 0.00 C ATOM 283 C ARG A 21 -1.844 -1.880 14.309 1.00 0.00 C ATOM 284 O ARG A 21 -2.771 -2.449 14.885 1.00 0.00 O ATOM 285 CB ARG A 21 0.237 -1.577 15.663 1.00 0.00 C ATOM 286 CG ARG A 21 1.651 -2.034 15.986 1.00 0.00 C ATOM 287 CD ARG A 21 1.661 -3.428 16.593 1.00 0.00 C ATOM 288 NE ARG A 21 1.086 -3.445 17.935 1.00 0.00 N ATOM 289 CZ ARG A 21 0.625 -4.544 18.524 1.00 0.00 C ATOM 290 NH1 ARG A 21 0.672 -5.708 17.891 1.00 0.00 N ATOM 291 NH2 ARG A 21 0.117 -4.479 19.748 1.00 0.00 N ATOM 0 H ARG A 21 0.782 -1.217 13.185 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.406 -3.405 14.733 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.253 -0.514 15.423 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.386 -1.694 16.550 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.253 -2.027 15.077 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.112 -1.331 16.679 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.101 -4.107 15.950 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.685 -3.799 16.633 1.00 0.00 H new ATOM 0 HE ARG A 21 1.035 -2.565 18.449 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.062 -5.762 16.950 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.318 -6.550 18.345 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.080 -3.585 20.238 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.236 -5.323 20.199 1.00 0.00 H new ATOM 305 N LYS A 22 -2.026 -0.845 13.495 1.00 0.00 N ATOM 306 CA LYS A 22 -3.354 -0.307 13.225 1.00 0.00 C ATOM 307 C LYS A 22 -3.634 -0.276 11.726 1.00 0.00 C ATOM 308 O LYS A 22 -2.748 -0.540 10.913 1.00 0.00 O ATOM 309 CB LYS A 22 -3.485 1.101 13.809 1.00 0.00 C ATOM 310 CG LYS A 22 -3.055 1.200 15.262 1.00 0.00 C ATOM 311 CD LYS A 22 -2.523 2.585 15.593 1.00 0.00 C ATOM 312 CE LYS A 22 -2.194 2.716 17.072 1.00 0.00 C ATOM 313 NZ LYS A 22 -3.422 2.832 17.906 1.00 0.00 N ATOM 0 H LYS A 22 -1.269 -0.362 13.011 1.00 0.00 H new ATOM 0 HA LYS A 22 -4.087 -0.960 13.700 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.885 1.789 13.214 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.522 1.426 13.723 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.901 0.970 15.909 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.286 0.455 15.466 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.629 2.784 15.001 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.263 3.336 15.316 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.617 1.849 17.394 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.565 3.593 17.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.155 3.021 18.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.010 3.613 17.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.960 1.943 17.857 1.00 0.00 H new ATOM 327 N CYS A 23 -4.872 0.048 11.367 1.00 0.00 N ATOM 328 CA CYS A 23 -5.269 0.115 9.966 1.00 0.00 C ATOM 329 C CYS A 23 -4.424 1.136 9.209 1.00 0.00 C ATOM 330 O CYS A 23 -3.638 1.872 9.806 1.00 0.00 O ATOM 331 CB CYS A 23 -6.751 0.478 9.851 1.00 0.00 C ATOM 332 SG CYS A 23 -7.541 -0.099 8.314 1.00 0.00 S ATOM 0 H CYS A 23 -5.617 0.268 12.027 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.106 -0.867 9.521 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -7.285 0.055 10.702 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.855 1.561 9.916 1.00 0.00 H new ATOM 0 HG CYS A 23 -8.734 -0.542 8.579 1.00 0.00 H new ATOM 337 N PHE A 24 -4.592 1.174 7.891 1.00 0.00 N ATOM 338 CA PHE A 24 -3.845 2.103 7.052 1.00 0.00 C ATOM 339 C PHE A 24 -4.684 3.335 6.724 1.00 0.00 C ATOM 340 O PHE A 24 -4.149 4.395 6.398 1.00 0.00 O ATOM 341 CB PHE A 24 -3.404 1.414 5.759 1.00 0.00 C ATOM 342 CG PHE A 24 -2.581 2.294 4.861 1.00 0.00 C ATOM 343 CD1 PHE A 24 -1.201 2.329 4.980 1.00 0.00 C ATOM 344 CD2 PHE A 24 -3.188 3.085 3.899 1.00 0.00 C ATOM 345 CE1 PHE A 24 -0.442 3.138 4.155 1.00 0.00 C ATOM 346 CE2 PHE A 24 -2.434 3.896 3.072 1.00 0.00 C ATOM 347 CZ PHE A 24 -1.059 3.922 3.200 1.00 0.00 C ATOM 0 H PHE A 24 -5.239 0.572 7.381 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.962 2.423 7.605 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.827 0.524 6.010 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.288 1.079 5.216 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -0.713 1.718 5.725 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.263 3.068 3.794 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.633 3.157 4.257 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.919 4.509 2.327 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.467 4.554 2.554 1.00 0.00 H new ATOM 357 N ASP A 25 -6.001 3.187 6.813 1.00 0.00 N ATOM 358 CA ASP A 25 -6.915 4.287 6.527 1.00 0.00 C ATOM 359 C ASP A 25 -7.518 4.841 7.814 1.00 0.00 C ATOM 360 O ASP A 25 -7.331 6.012 8.146 1.00 0.00 O ATOM 361 CB ASP A 25 -8.028 3.822 5.586 1.00 0.00 C ATOM 362 CG ASP A 25 -7.537 2.821 4.559 1.00 0.00 C ATOM 363 OD1 ASP A 25 -6.493 3.085 3.925 1.00 0.00 O ATOM 364 OD2 ASP A 25 -8.195 1.774 4.390 1.00 0.00 O ATOM 0 H ASP A 25 -6.460 2.316 7.081 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.348 5.081 6.042 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.831 3.374 6.171 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.451 4.686 5.074 1.00 0.00 H new ATOM 369 N CYS A 26 -8.243 3.993 8.535 1.00 0.00 N ATOM 370 CA CYS A 26 -8.876 4.397 9.785 1.00 0.00 C ATOM 371 C CYS A 26 -7.931 4.189 10.964 1.00 0.00 C ATOM 372 O CYS A 26 -8.314 4.371 12.120 1.00 0.00 O ATOM 373 CB CYS A 26 -10.167 3.606 10.006 1.00 0.00 C ATOM 374 SG CYS A 26 -9.903 1.850 10.412 1.00 0.00 S ATOM 0 H CYS A 26 -8.407 3.020 8.275 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.115 5.458 9.716 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -10.733 4.073 10.812 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.779 3.672 9.107 1.00 0.00 H new ATOM 0 HG CYS A 26 -9.152 1.302 9.503 1.00 0.00 H new ATOM 379 N ASP A 27 -6.694 3.808 10.664 1.00 0.00 N ATOM 380 CA ASP A 27 -5.693 3.577 11.699 1.00 0.00 C ATOM 381 C ASP A 27 -6.308 2.871 12.903 1.00 0.00 C ATOM 382 O ASP A 27 -5.970 3.168 14.048 1.00 0.00 O ATOM 383 CB ASP A 27 -5.065 4.902 12.136 1.00 0.00 C ATOM 384 CG ASP A 27 -4.565 5.720 10.962 1.00 0.00 C ATOM 385 OD1 ASP A 27 -3.671 5.234 10.239 1.00 0.00 O ATOM 386 OD2 ASP A 27 -5.067 6.847 10.767 1.00 0.00 O ATOM 0 H ASP A 27 -6.361 3.653 9.713 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.917 2.935 11.282 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.800 5.483 12.693 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.236 4.702 12.815 1.00 0.00 H new ATOM 391 N GLN A 28 -7.214 1.936 12.635 1.00 0.00 N ATOM 392 CA GLN A 28 -7.878 1.188 13.696 1.00 0.00 C ATOM 393 C GLN A 28 -7.011 0.025 14.167 1.00 0.00 C ATOM 394 O GLN A 28 -6.603 -0.820 13.370 1.00 0.00 O ATOM 395 CB GLN A 28 -9.232 0.668 13.212 1.00 0.00 C ATOM 396 CG GLN A 28 -9.932 -0.232 14.218 1.00 0.00 C ATOM 397 CD GLN A 28 -10.565 0.545 15.355 1.00 0.00 C ATOM 398 OE1 GLN A 28 -11.578 1.220 15.173 1.00 0.00 O ATOM 399 NE2 GLN A 28 -9.969 0.453 16.538 1.00 0.00 N ATOM 0 H GLN A 28 -7.505 1.678 11.692 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.036 1.863 14.537 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.878 1.516 12.985 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -9.089 0.118 12.282 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -10.701 -0.812 13.707 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -9.213 -0.943 14.625 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.131 -0.118 16.644 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.350 0.954 17.341 1.00 0.00 H new ATOM 408 N ARG A 29 -6.734 -0.012 15.466 1.00 0.00 N ATOM 409 CA ARG A 29 -5.914 -1.071 16.043 1.00 0.00 C ATOM 410 C ARG A 29 -6.585 -2.431 15.873 1.00 0.00 C ATOM 411 O ARG A 29 -7.767 -2.593 16.174 1.00 0.00 O ATOM 412 CB ARG A 29 -5.659 -0.797 17.526 1.00 0.00 C ATOM 413 CG ARG A 29 -6.857 -0.206 18.251 1.00 0.00 C ATOM 414 CD ARG A 29 -6.798 -0.485 19.745 1.00 0.00 C ATOM 415 NE ARG A 29 -8.128 -0.549 20.343 1.00 0.00 N ATOM 416 CZ ARG A 29 -8.901 -1.629 20.304 1.00 0.00 C ATOM 417 NH1 ARG A 29 -8.477 -2.729 19.698 1.00 0.00 N ATOM 418 NH2 ARG A 29 -10.100 -1.609 20.871 1.00 0.00 N ATOM 0 H ARG A 29 -7.065 0.679 16.139 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.961 -1.087 15.515 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.372 -1.728 18.015 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.815 -0.114 17.621 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.891 0.870 18.082 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.776 -0.623 17.838 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.277 -1.427 19.917 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.217 0.295 20.237 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.484 0.281 20.817 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.556 -2.747 19.261 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.072 -3.557 19.669 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.429 -0.764 21.338 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.693 -2.439 20.840 1.00 0.00 H new ATOM 432 N GLY A 30 -5.822 -3.406 15.389 1.00 0.00 N ATOM 433 CA GLY A 30 -6.359 -4.739 15.188 1.00 0.00 C ATOM 434 C GLY A 30 -6.849 -4.958 13.770 1.00 0.00 C ATOM 435 O GLY A 30 -8.016 -5.273 13.535 1.00 0.00 O ATOM 0 H GLY A 30 -4.841 -3.296 15.132 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.591 -5.476 15.422 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.182 -4.905 15.883 1.00 0.00 H new ATOM 439 N PRO A 31 -5.944 -4.788 12.794 1.00 0.00 N ATOM 440 CA PRO A 31 -6.268 -4.963 11.375 1.00 0.00 C ATOM 441 C PRO A 31 -6.526 -6.422 11.016 1.00 0.00 C ATOM 442 O PRO A 31 -5.723 -7.302 11.328 1.00 0.00 O ATOM 443 CB PRO A 31 -5.016 -4.450 10.660 1.00 0.00 C ATOM 444 CG PRO A 31 -3.915 -4.627 11.649 1.00 0.00 C ATOM 445 CD PRO A 31 -4.536 -4.412 13.002 1.00 0.00 C ATOM 0 HA PRO A 31 -7.181 -4.436 11.097 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.823 -5.014 9.747 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.125 -3.404 10.372 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.479 -5.623 11.574 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.111 -3.913 11.470 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.063 -5.031 13.764 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.440 -3.376 13.328 1.00 0.00 H new ATOM 453 N THR A 32 -7.653 -6.674 10.357 1.00 0.00 N ATOM 454 CA THR A 32 -8.018 -8.027 9.955 1.00 0.00 C ATOM 455 C THR A 32 -8.118 -8.142 8.438 1.00 0.00 C ATOM 456 O THR A 32 -8.842 -8.990 7.917 1.00 0.00 O ATOM 457 CB THR A 32 -9.358 -8.456 10.581 1.00 0.00 C ATOM 458 OG1 THR A 32 -10.386 -7.525 10.225 1.00 0.00 O ATOM 459 CG2 THR A 32 -9.246 -8.541 12.096 1.00 0.00 C ATOM 0 H THR A 32 -8.329 -5.958 10.090 1.00 0.00 H new ATOM 0 HA THR A 32 -7.229 -8.688 10.315 1.00 0.00 H new ATOM 0 HB THR A 32 -9.613 -9.443 10.196 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.235 -7.806 10.626 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.205 -8.846 12.515 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.484 -9.273 12.364 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.969 -7.565 12.496 1.00 0.00 H new ATOM 467 N TYR A 33 -7.387 -7.284 7.735 1.00 0.00 N ATOM 468 CA TYR A 33 -7.396 -7.288 6.277 1.00 0.00 C ATOM 469 C TYR A 33 -6.059 -6.806 5.723 1.00 0.00 C ATOM 470 O TYR A 33 -5.256 -6.206 6.439 1.00 0.00 O ATOM 471 CB TYR A 33 -8.528 -6.405 5.750 1.00 0.00 C ATOM 472 CG TYR A 33 -9.846 -7.131 5.607 1.00 0.00 C ATOM 473 CD1 TYR A 33 -10.668 -7.342 6.707 1.00 0.00 C ATOM 474 CD2 TYR A 33 -10.269 -7.607 4.372 1.00 0.00 C ATOM 475 CE1 TYR A 33 -11.874 -8.005 6.581 1.00 0.00 C ATOM 476 CE2 TYR A 33 -11.473 -8.271 4.237 1.00 0.00 C ATOM 477 CZ TYR A 33 -12.272 -8.467 5.344 1.00 0.00 C ATOM 478 OH TYR A 33 -13.471 -9.129 5.214 1.00 0.00 O ATOM 0 H TYR A 33 -6.781 -6.577 8.151 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.559 -8.313 5.943 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -8.661 -5.558 6.423 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -8.239 -5.999 4.780 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.359 -6.982 7.677 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -9.646 -7.455 3.503 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.501 -8.160 7.446 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -11.787 -8.635 3.270 1.00 0.00 H new ATOM 0 HH TYR A 33 -13.602 -9.387 4.278 1.00 0.00 H new ATOM 488 N VAL A 34 -5.826 -7.071 4.442 1.00 0.00 N ATOM 489 CA VAL A 34 -4.588 -6.663 3.789 1.00 0.00 C ATOM 490 C VAL A 34 -4.810 -6.398 2.304 1.00 0.00 C ATOM 491 O VAL A 34 -5.287 -7.266 1.574 1.00 0.00 O ATOM 492 CB VAL A 34 -3.490 -7.731 3.950 1.00 0.00 C ATOM 493 CG1 VAL A 34 -2.873 -7.658 5.338 1.00 0.00 C ATOM 494 CG2 VAL A 34 -4.054 -9.118 3.680 1.00 0.00 C ATOM 0 H VAL A 34 -6.479 -7.567 3.835 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.263 -5.743 4.274 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.705 -7.534 3.220 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.099 -8.420 5.433 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.432 -6.673 5.489 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.645 -7.829 6.089 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.265 -9.861 3.798 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.858 -9.327 4.385 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.443 -9.161 2.663 1.00 0.00 H new ATOM 504 N ASN A 35 -4.462 -5.193 1.865 1.00 0.00 N ATOM 505 CA ASN A 35 -4.623 -4.814 0.466 1.00 0.00 C ATOM 506 C ASN A 35 -3.565 -5.484 -0.406 1.00 0.00 C ATOM 507 O ASN A 35 -2.376 -5.188 -0.294 1.00 0.00 O ATOM 508 CB ASN A 35 -4.536 -3.294 0.315 1.00 0.00 C ATOM 509 CG ASN A 35 -5.060 -2.814 -1.025 1.00 0.00 C ATOM 510 OD1 ASN A 35 -4.743 -3.385 -2.068 1.00 0.00 O ATOM 511 ND2 ASN A 35 -5.868 -1.760 -1.002 1.00 0.00 N ATOM 0 H ASN A 35 -4.067 -4.463 2.457 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.606 -5.150 0.136 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.104 -2.819 1.115 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.499 -2.979 0.430 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.252 -1.393 -1.873 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.104 -1.318 -0.114 1.00 0.00 H new ATOM 518 N MET A 36 -4.008 -6.388 -1.274 1.00 0.00 N ATOM 519 CA MET A 36 -3.099 -7.099 -2.166 1.00 0.00 C ATOM 520 C MET A 36 -2.594 -6.179 -3.273 1.00 0.00 C ATOM 521 O MET A 36 -1.508 -6.382 -3.817 1.00 0.00 O ATOM 522 CB MET A 36 -3.797 -8.315 -2.776 1.00 0.00 C ATOM 523 CG MET A 36 -3.692 -9.568 -1.921 1.00 0.00 C ATOM 524 SD MET A 36 -2.195 -10.516 -2.260 1.00 0.00 S ATOM 525 CE MET A 36 -1.383 -10.445 -0.665 1.00 0.00 C ATOM 0 H MET A 36 -4.989 -6.645 -1.379 1.00 0.00 H new ATOM 0 HA MET A 36 -2.244 -7.436 -1.580 1.00 0.00 H new ATOM 0 HB2 MET A 36 -4.850 -8.079 -2.933 1.00 0.00 H new ATOM 0 HB3 MET A 36 -3.366 -8.517 -3.757 1.00 0.00 H new ATOM 0 HG2 MET A 36 -3.709 -9.287 -0.868 1.00 0.00 H new ATOM 0 HG3 MET A 36 -4.564 -10.198 -2.097 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.305 -10.536 -0.801 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.609 -9.494 -0.184 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.740 -11.262 -0.038 1.00 0.00 H new ATOM 535 N THR A 37 -3.390 -5.166 -3.604 1.00 0.00 N ATOM 536 CA THR A 37 -3.024 -4.217 -4.647 1.00 0.00 C ATOM 537 C THR A 37 -1.928 -3.271 -4.171 1.00 0.00 C ATOM 538 O THR A 37 -0.861 -3.184 -4.780 1.00 0.00 O ATOM 539 CB THR A 37 -4.240 -3.387 -5.103 1.00 0.00 C ATOM 540 OG1 THR A 37 -5.223 -4.243 -5.696 1.00 0.00 O ATOM 541 CG2 THR A 37 -3.822 -2.319 -6.102 1.00 0.00 C ATOM 0 H THR A 37 -4.292 -4.983 -3.164 1.00 0.00 H new ATOM 0 HA THR A 37 -2.655 -4.801 -5.490 1.00 0.00 H new ATOM 0 HB THR A 37 -4.666 -2.897 -4.228 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.917 -3.698 -6.123 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.697 -1.746 -6.409 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.096 -1.652 -5.638 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.374 -2.793 -6.975 1.00 0.00 H new ATOM 549 N VAL A 38 -2.196 -2.564 -3.077 1.00 0.00 N ATOM 550 CA VAL A 38 -1.231 -1.626 -2.518 1.00 0.00 C ATOM 551 C VAL A 38 -0.194 -2.347 -1.664 1.00 0.00 C ATOM 552 O VAL A 38 0.943 -1.897 -1.538 1.00 0.00 O ATOM 553 CB VAL A 38 -1.926 -0.550 -1.661 1.00 0.00 C ATOM 554 CG1 VAL A 38 -0.980 0.609 -1.390 1.00 0.00 C ATOM 555 CG2 VAL A 38 -3.195 -0.064 -2.344 1.00 0.00 C ATOM 0 H VAL A 38 -3.074 -2.624 -2.561 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.733 -1.145 -3.360 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.202 -0.994 -0.705 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.488 1.359 -0.784 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.102 0.245 -0.857 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.671 1.055 -2.335 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.673 0.695 -1.725 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.945 0.364 -3.315 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.878 -0.902 -2.482 1.00 0.00 H new ATOM 565 N GLY A 39 -0.595 -3.473 -1.080 1.00 0.00 N ATOM 566 CA GLY A 39 0.311 -4.240 -0.246 1.00 0.00 C ATOM 567 C GLY A 39 0.391 -3.703 1.169 1.00 0.00 C ATOM 568 O GLY A 39 1.432 -3.798 1.819 1.00 0.00 O ATOM 0 H GLY A 39 -1.531 -3.867 -1.170 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.017 -5.279 -0.219 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.306 -4.231 -0.692 1.00 0.00 H new ATOM 572 N SER A 40 -0.712 -3.137 1.649 1.00 0.00 N ATOM 573 CA SER A 40 -0.762 -2.579 2.995 1.00 0.00 C ATOM 574 C SER A 40 -1.682 -3.402 3.891 1.00 0.00 C ATOM 575 O SER A 40 -2.259 -4.400 3.459 1.00 0.00 O ATOM 576 CB SER A 40 -1.240 -1.126 2.950 1.00 0.00 C ATOM 577 OG SER A 40 -2.645 -1.057 2.782 1.00 0.00 O ATOM 0 H SER A 40 -1.583 -3.053 1.125 1.00 0.00 H new ATOM 0 HA SER A 40 0.245 -2.610 3.412 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.955 -0.617 3.871 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.746 -0.603 2.131 1.00 0.00 H new ATOM 0 HG SER A 40 -2.926 -0.118 2.758 1.00 0.00 H new ATOM 583 N PHE A 41 -1.815 -2.975 5.143 1.00 0.00 N ATOM 584 CA PHE A 41 -2.665 -3.671 6.102 1.00 0.00 C ATOM 585 C PHE A 41 -3.888 -2.831 6.456 1.00 0.00 C ATOM 586 O PHE A 41 -3.770 -1.769 7.067 1.00 0.00 O ATOM 587 CB PHE A 41 -1.874 -4.002 7.370 1.00 0.00 C ATOM 588 CG PHE A 41 -0.852 -5.084 7.174 1.00 0.00 C ATOM 589 CD1 PHE A 41 0.183 -4.922 6.266 1.00 0.00 C ATOM 590 CD2 PHE A 41 -0.925 -6.264 7.896 1.00 0.00 C ATOM 591 CE1 PHE A 41 1.126 -5.915 6.084 1.00 0.00 C ATOM 592 CE2 PHE A 41 0.016 -7.261 7.718 1.00 0.00 C ATOM 593 CZ PHE A 41 1.042 -7.087 6.810 1.00 0.00 C ATOM 0 H PHE A 41 -1.345 -2.150 5.517 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.005 -4.599 5.642 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.373 -3.100 7.722 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.569 -4.307 8.153 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.253 -4.009 5.694 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.726 -6.407 8.606 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.928 -5.775 5.375 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.051 -8.175 8.289 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.777 -7.866 6.668 1.00 0.00 H new ATOM 603 N VAL A 42 -5.064 -3.314 6.067 1.00 0.00 N ATOM 604 CA VAL A 42 -6.310 -2.609 6.343 1.00 0.00 C ATOM 605 C VAL A 42 -7.260 -3.474 7.163 1.00 0.00 C ATOM 606 O VAL A 42 -6.936 -4.607 7.520 1.00 0.00 O ATOM 607 CB VAL A 42 -7.014 -2.184 5.041 1.00 0.00 C ATOM 608 CG1 VAL A 42 -6.186 -1.146 4.300 1.00 0.00 C ATOM 609 CG2 VAL A 42 -7.280 -3.395 4.159 1.00 0.00 C ATOM 0 H VAL A 42 -5.180 -4.191 5.559 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.050 -1.718 6.914 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.972 -1.733 5.298 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.700 -0.858 3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.053 -0.268 4.932 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.211 -1.567 4.053 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.778 -3.076 3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.335 -3.878 3.909 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.918 -4.100 4.692 1.00 0.00 H new ATOM 619 N CYS A 43 -8.437 -2.932 7.460 1.00 0.00 N ATOM 620 CA CYS A 43 -9.436 -3.653 8.239 1.00 0.00 C ATOM 621 C CYS A 43 -10.665 -3.966 7.390 1.00 0.00 C ATOM 622 O CYS A 43 -10.719 -3.630 6.206 1.00 0.00 O ATOM 623 CB CYS A 43 -9.846 -2.834 9.465 1.00 0.00 C ATOM 624 SG CYS A 43 -10.912 -1.407 9.084 1.00 0.00 S ATOM 0 H CYS A 43 -8.722 -1.996 7.173 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.994 -4.593 8.569 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.367 -3.486 10.166 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -8.947 -2.478 9.968 1.00 0.00 H new ATOM 0 HG CYS A 43 -10.415 -0.336 9.628 1.00 0.00 H new ATOM 629 N THR A 44 -11.652 -4.613 8.002 1.00 0.00 N ATOM 630 CA THR A 44 -12.879 -4.973 7.304 1.00 0.00 C ATOM 631 C THR A 44 -13.634 -3.732 6.843 1.00 0.00 C ATOM 632 O THR A 44 -13.969 -3.598 5.667 1.00 0.00 O ATOM 633 CB THR A 44 -13.805 -5.822 8.196 1.00 0.00 C ATOM 634 OG1 THR A 44 -13.026 -6.590 9.120 1.00 0.00 O ATOM 635 CG2 THR A 44 -14.664 -6.752 7.353 1.00 0.00 C ATOM 0 H THR A 44 -11.625 -4.898 8.981 1.00 0.00 H new ATOM 0 HA THR A 44 -12.586 -5.561 6.434 1.00 0.00 H new ATOM 0 HB THR A 44 -14.461 -5.148 8.747 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.213 -6.909 8.676 1.00 0.00 H new ATOM 0 HG21 THR A 44 -15.309 -7.341 8.004 1.00 0.00 H new ATOM 0 HG22 THR A 44 -15.277 -6.163 6.671 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.022 -7.419 6.778 1.00 0.00 H new ATOM 643 N SER A 45 -13.899 -2.825 7.779 1.00 0.00 N ATOM 644 CA SER A 45 -14.617 -1.595 7.469 1.00 0.00 C ATOM 645 C SER A 45 -14.064 -0.947 6.203 1.00 0.00 C ATOM 646 O SER A 45 -14.802 -0.686 5.252 1.00 0.00 O ATOM 647 CB SER A 45 -14.523 -0.615 8.640 1.00 0.00 C ATOM 648 OG SER A 45 -15.446 0.450 8.490 1.00 0.00 O ATOM 0 H SER A 45 -13.627 -2.920 8.758 1.00 0.00 H new ATOM 0 HA SER A 45 -15.664 -1.848 7.299 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.718 -1.141 9.575 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.511 -0.216 8.704 1.00 0.00 H new ATOM 0 HG SER A 45 -15.367 1.061 9.252 1.00 0.00 H new ATOM 654 N CYS A 46 -12.761 -0.689 6.199 1.00 0.00 N ATOM 655 CA CYS A 46 -12.107 -0.071 5.052 1.00 0.00 C ATOM 656 C CYS A 46 -12.075 -1.027 3.863 1.00 0.00 C ATOM 657 O CYS A 46 -12.042 -0.599 2.710 1.00 0.00 O ATOM 658 CB CYS A 46 -10.683 0.352 5.418 1.00 0.00 C ATOM 659 SG CYS A 46 -10.588 1.513 6.818 1.00 0.00 S ATOM 0 H CYS A 46 -12.137 -0.898 6.978 1.00 0.00 H new ATOM 0 HA CYS A 46 -12.681 0.812 4.770 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.102 -0.538 5.658 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -10.217 0.812 4.547 1.00 0.00 H new ATOM 0 HG CYS A 46 -9.563 1.215 7.560 1.00 0.00 H new ATOM 664 N SER A 47 -12.087 -2.324 4.154 1.00 0.00 N ATOM 665 CA SER A 47 -12.056 -3.342 3.110 1.00 0.00 C ATOM 666 C SER A 47 -13.105 -3.054 2.040 1.00 0.00 C ATOM 667 O SER A 47 -12.891 -3.319 0.858 1.00 0.00 O ATOM 668 CB SER A 47 -12.293 -4.728 3.712 1.00 0.00 C ATOM 669 OG SER A 47 -13.673 -5.051 3.722 1.00 0.00 O ATOM 0 H SER A 47 -12.118 -2.695 5.104 1.00 0.00 H new ATOM 0 HA SER A 47 -11.071 -3.320 2.644 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.746 -5.476 3.138 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.902 -4.758 4.729 1.00 0.00 H new ATOM 0 HG SER A 47 -14.163 -4.377 4.238 1.00 0.00 H new ATOM 675 N GLY A 48 -14.241 -2.509 2.465 1.00 0.00 N ATOM 676 CA GLY A 48 -15.307 -2.194 1.532 1.00 0.00 C ATOM 677 C GLY A 48 -15.104 -0.856 0.849 1.00 0.00 C ATOM 678 O GLY A 48 -15.528 -0.662 -0.290 1.00 0.00 O ATOM 0 H GLY A 48 -14.442 -2.280 3.438 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.368 -2.978 0.777 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -16.259 -2.187 2.062 1.00 0.00 H new ATOM 682 N SER A 49 -14.454 0.070 1.547 1.00 0.00 N ATOM 683 CA SER A 49 -14.199 1.398 1.002 1.00 0.00 C ATOM 684 C SER A 49 -13.173 1.336 -0.125 1.00 0.00 C ATOM 685 O SER A 49 -13.318 2.005 -1.149 1.00 0.00 O ATOM 686 CB SER A 49 -13.707 2.338 2.104 1.00 0.00 C ATOM 687 OG SER A 49 -13.320 3.593 1.570 1.00 0.00 O ATOM 0 H SER A 49 -14.095 -0.075 2.491 1.00 0.00 H new ATOM 0 HA SER A 49 -15.135 1.783 0.596 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.496 2.481 2.843 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.863 1.884 2.623 1.00 0.00 H new ATOM 0 HG SER A 49 -13.011 4.176 2.295 1.00 0.00 H new ATOM 693 N LEU A 50 -12.137 0.529 0.070 1.00 0.00 N ATOM 694 CA LEU A 50 -11.085 0.378 -0.929 1.00 0.00 C ATOM 695 C LEU A 50 -11.628 -0.275 -2.196 1.00 0.00 C ATOM 696 O LEU A 50 -11.360 0.184 -3.307 1.00 0.00 O ATOM 697 CB LEU A 50 -9.934 -0.457 -0.365 1.00 0.00 C ATOM 698 CG LEU A 50 -9.062 0.228 0.688 1.00 0.00 C ATOM 699 CD1 LEU A 50 -8.375 -0.806 1.566 1.00 0.00 C ATOM 700 CD2 LEU A 50 -8.034 1.132 0.022 1.00 0.00 C ATOM 0 H LEU A 50 -12.002 -0.032 0.911 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.714 1.371 -1.183 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.350 -1.365 0.071 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.295 -0.765 -1.193 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.703 0.843 1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.759 -0.300 2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.127 -1.413 2.070 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.746 -1.447 0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.422 1.612 0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.397 0.538 -0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.546 1.895 -0.564 1.00 0.00 H new ATOM 712 N ARG A 51 -12.395 -1.347 -2.022 1.00 0.00 N ATOM 713 CA ARG A 51 -12.977 -2.062 -3.152 1.00 0.00 C ATOM 714 C ARG A 51 -14.048 -1.218 -3.836 1.00 0.00 C ATOM 715 O ARG A 51 -14.467 -1.516 -4.953 1.00 0.00 O ATOM 716 CB ARG A 51 -13.578 -3.390 -2.687 1.00 0.00 C ATOM 717 CG ARG A 51 -14.749 -3.227 -1.732 1.00 0.00 C ATOM 718 CD ARG A 51 -15.071 -4.530 -1.018 1.00 0.00 C ATOM 719 NE ARG A 51 -16.457 -4.576 -0.560 1.00 0.00 N ATOM 720 CZ ARG A 51 -16.922 -5.488 0.286 1.00 0.00 C ATOM 721 NH1 ARG A 51 -16.115 -6.426 0.764 1.00 0.00 N ATOM 722 NH2 ARG A 51 -18.196 -5.464 0.655 1.00 0.00 N ATOM 0 H ARG A 51 -12.628 -1.739 -1.110 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.183 -2.262 -3.871 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -13.907 -3.955 -3.559 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -12.802 -3.980 -2.199 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -14.516 -2.456 -0.997 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -15.625 -2.887 -2.284 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -14.884 -5.367 -1.690 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -14.403 -4.650 -0.165 1.00 0.00 H new ATOM 0 HE ARG A 51 -17.104 -3.869 -0.909 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -15.135 -6.448 0.482 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -16.474 -7.125 1.414 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -18.820 -4.745 0.289 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -18.552 -6.165 1.305 1.00 0.00 H new ATOM 736 N GLY A 52 -14.487 -0.163 -3.156 1.00 0.00 N ATOM 737 CA GLY A 52 -15.506 0.707 -3.714 1.00 0.00 C ATOM 738 C GLY A 52 -14.960 1.622 -4.793 1.00 0.00 C ATOM 739 O GLY A 52 -15.688 2.028 -5.699 1.00 0.00 O ATOM 0 H GLY A 52 -14.155 0.105 -2.229 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -16.310 0.100 -4.130 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -15.941 1.310 -2.917 1.00 0.00 H new ATOM 743 N LEU A 53 -13.676 1.948 -4.696 1.00 0.00 N ATOM 744 CA LEU A 53 -13.033 2.822 -5.671 1.00 0.00 C ATOM 745 C LEU A 53 -13.074 2.205 -7.065 1.00 0.00 C ATOM 746 O LEU A 53 -13.656 1.141 -7.267 1.00 0.00 O ATOM 747 CB LEU A 53 -11.584 3.095 -5.263 1.00 0.00 C ATOM 748 CG LEU A 53 -11.373 3.605 -3.838 1.00 0.00 C ATOM 749 CD1 LEU A 53 -9.913 3.471 -3.434 1.00 0.00 C ATOM 750 CD2 LEU A 53 -11.831 5.051 -3.715 1.00 0.00 C ATOM 0 H LEU A 53 -13.060 1.620 -3.952 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.580 3.764 -5.695 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.013 2.175 -5.386 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.164 3.825 -5.955 1.00 0.00 H new ATOM 0 HG LEU A 53 -11.974 2.996 -3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -9.782 3.839 -2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.617 2.423 -3.482 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.292 4.055 -4.114 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.673 5.397 -2.694 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.258 5.674 -4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.891 5.119 -3.962 1.00 0.00 H new ATOM 762 N ASN A 54 -12.448 2.881 -8.024 1.00 0.00 N ATOM 763 CA ASN A 54 -12.411 2.398 -9.400 1.00 0.00 C ATOM 764 C ASN A 54 -11.076 2.732 -10.058 1.00 0.00 C ATOM 765 O ASN A 54 -10.691 3.895 -10.183 1.00 0.00 O ATOM 766 CB ASN A 54 -13.558 3.009 -10.208 1.00 0.00 C ATOM 767 CG ASN A 54 -13.465 2.679 -11.685 1.00 0.00 C ATOM 768 OD1 ASN A 54 -12.765 1.747 -12.081 1.00 0.00 O ATOM 769 ND2 ASN A 54 -14.171 3.445 -12.508 1.00 0.00 N ATOM 0 H ASN A 54 -11.960 3.764 -7.873 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.526 1.314 -9.382 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.508 2.646 -9.817 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.553 4.091 -10.079 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.147 3.272 -13.513 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.738 4.207 -12.135 1.00 0.00 H new ATOM 776 N PRO A 55 -10.352 1.689 -10.491 1.00 0.00 N ATOM 777 CA PRO A 55 -10.800 0.301 -10.347 1.00 0.00 C ATOM 778 C PRO A 55 -10.786 -0.166 -8.896 1.00 0.00 C ATOM 779 O PRO A 55 -10.068 0.371 -8.053 1.00 0.00 O ATOM 780 CB PRO A 55 -9.781 -0.488 -11.173 1.00 0.00 C ATOM 781 CG PRO A 55 -8.557 0.361 -11.174 1.00 0.00 C ATOM 782 CD PRO A 55 -9.040 1.785 -11.152 1.00 0.00 C ATOM 0 HA PRO A 55 -11.830 0.169 -10.677 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.585 -1.465 -10.732 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.143 -0.663 -12.186 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.933 0.147 -10.306 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.950 0.169 -12.058 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.358 2.432 -10.600 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.126 2.196 -12.158 1.00 0.00 H new ATOM 790 N PRO A 56 -11.598 -1.191 -8.595 1.00 0.00 N ATOM 791 CA PRO A 56 -11.696 -1.753 -7.245 1.00 0.00 C ATOM 792 C PRO A 56 -10.434 -2.506 -6.837 1.00 0.00 C ATOM 793 O PRO A 56 -9.938 -3.353 -7.580 1.00 0.00 O ATOM 794 CB PRO A 56 -12.883 -2.714 -7.346 1.00 0.00 C ATOM 795 CG PRO A 56 -12.944 -3.090 -8.786 1.00 0.00 C ATOM 796 CD PRO A 56 -12.483 -1.879 -9.550 1.00 0.00 C ATOM 0 HA PRO A 56 -11.821 -0.978 -6.489 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.738 -3.590 -6.714 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.808 -2.237 -7.022 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.305 -3.948 -8.993 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.957 -3.370 -9.074 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.953 -2.156 -10.461 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -13.321 -1.249 -9.848 1.00 0.00 H new ATOM 804 N HIS A 57 -9.919 -2.191 -5.652 1.00 0.00 N ATOM 805 CA HIS A 57 -8.715 -2.839 -5.146 1.00 0.00 C ATOM 806 C HIS A 57 -8.999 -4.287 -4.759 1.00 0.00 C ATOM 807 O HIS A 57 -10.108 -4.785 -4.952 1.00 0.00 O ATOM 808 CB HIS A 57 -8.168 -2.075 -3.940 1.00 0.00 C ATOM 809 CG HIS A 57 -7.673 -0.702 -4.275 1.00 0.00 C ATOM 810 ND1 HIS A 57 -6.829 0.016 -3.454 1.00 0.00 N ATOM 811 CD2 HIS A 57 -7.906 0.085 -5.351 1.00 0.00 C ATOM 812 CE1 HIS A 57 -6.566 1.185 -4.009 1.00 0.00 C ATOM 813 NE2 HIS A 57 -7.207 1.252 -5.162 1.00 0.00 N ATOM 0 H HIS A 57 -10.317 -1.491 -5.025 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.968 -2.833 -5.940 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -8.950 -1.996 -3.185 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.354 -2.648 -3.496 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.526 -0.159 -6.201 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.934 1.955 -3.591 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -7.186 2.042 -5.807 1.00 0.00 H new ATOM 821 N ARG A 58 -7.990 -4.958 -4.213 1.00 0.00 N ATOM 822 CA ARG A 58 -8.131 -6.349 -3.801 1.00 0.00 C ATOM 823 C ARG A 58 -7.814 -6.512 -2.317 1.00 0.00 C ATOM 824 O ARG A 58 -6.671 -6.344 -1.894 1.00 0.00 O ATOM 825 CB ARG A 58 -7.209 -7.245 -4.631 1.00 0.00 C ATOM 826 CG ARG A 58 -7.489 -8.729 -4.462 1.00 0.00 C ATOM 827 CD ARG A 58 -6.875 -9.544 -5.590 1.00 0.00 C ATOM 828 NE ARG A 58 -7.790 -9.690 -6.720 1.00 0.00 N ATOM 829 CZ ARG A 58 -7.652 -10.616 -7.662 1.00 0.00 C ATOM 830 NH1 ARG A 58 -6.643 -11.475 -7.610 1.00 0.00 N ATOM 831 NH2 ARG A 58 -8.526 -10.686 -8.658 1.00 0.00 N ATOM 0 H ARG A 58 -7.066 -4.560 -4.046 1.00 0.00 H new ATOM 0 HA ARG A 58 -9.166 -6.648 -3.969 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -7.312 -6.982 -5.684 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.174 -7.045 -4.352 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.089 -9.069 -3.507 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -8.566 -8.896 -4.435 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.957 -9.063 -5.927 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.600 -10.530 -5.217 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.578 -9.046 -6.789 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.970 -11.426 -6.845 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.540 -12.185 -8.335 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.304 -10.028 -8.701 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.419 -11.397 -9.381 1.00 0.00 H new ATOM 845 N VAL A 59 -8.836 -6.840 -1.532 1.00 0.00 N ATOM 846 CA VAL A 59 -8.667 -7.026 -0.096 1.00 0.00 C ATOM 847 C VAL A 59 -8.947 -8.469 0.308 1.00 0.00 C ATOM 848 O VAL A 59 -9.915 -9.077 -0.149 1.00 0.00 O ATOM 849 CB VAL A 59 -9.593 -6.091 0.704 1.00 0.00 C ATOM 850 CG1 VAL A 59 -8.899 -4.769 0.992 1.00 0.00 C ATOM 851 CG2 VAL A 59 -10.898 -5.866 -0.046 1.00 0.00 C ATOM 0 H VAL A 59 -9.789 -6.982 -1.867 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.630 -6.782 0.135 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.825 -6.566 1.657 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.569 -4.122 1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.995 -4.952 1.573 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.635 -4.284 0.052 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.541 -5.203 0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.687 -5.412 -1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.402 -6.821 -0.195 1.00 0.00 H new ATOM 861 N LYS A 60 -8.093 -9.013 1.168 1.00 0.00 N ATOM 862 CA LYS A 60 -8.248 -10.385 1.637 1.00 0.00 C ATOM 863 C LYS A 60 -8.024 -10.474 3.143 1.00 0.00 C ATOM 864 O LYS A 60 -6.985 -10.055 3.651 1.00 0.00 O ATOM 865 CB LYS A 60 -7.268 -11.308 0.909 1.00 0.00 C ATOM 866 CG LYS A 60 -7.735 -11.720 -0.476 1.00 0.00 C ATOM 867 CD LYS A 60 -6.606 -12.339 -1.284 1.00 0.00 C ATOM 868 CE LYS A 60 -6.516 -13.840 -1.054 1.00 0.00 C ATOM 869 NZ LYS A 60 -7.509 -14.588 -1.876 1.00 0.00 N ATOM 0 H LYS A 60 -7.286 -8.524 1.555 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.267 -10.704 1.420 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.304 -10.806 0.824 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.109 -12.203 1.511 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.554 -12.434 -0.387 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.126 -10.850 -1.003 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.764 -12.141 -2.344 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.661 -11.870 -1.010 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.511 -14.185 -1.296 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.682 -14.056 0.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -7.416 -15.607 -1.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.470 -14.277 -1.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.335 -14.402 -2.884 1.00 0.00 H new ATOM 883 N SER A 61 -9.005 -11.025 3.851 1.00 0.00 N ATOM 884 CA SER A 61 -8.916 -11.167 5.300 1.00 0.00 C ATOM 885 C SER A 61 -7.584 -11.793 5.703 1.00 0.00 C ATOM 886 O SER A 61 -6.968 -12.521 4.924 1.00 0.00 O ATOM 887 CB SER A 61 -10.073 -12.020 5.822 1.00 0.00 C ATOM 888 OG SER A 61 -11.319 -11.384 5.596 1.00 0.00 O ATOM 0 H SER A 61 -9.871 -11.380 3.445 1.00 0.00 H new ATOM 0 HA SER A 61 -8.979 -10.173 5.743 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.063 -12.992 5.329 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.942 -12.202 6.889 1.00 0.00 H new ATOM 0 HG SER A 61 -11.182 -10.418 5.507 1.00 0.00 H new ATOM 894 N ILE A 62 -7.148 -11.504 6.924 1.00 0.00 N ATOM 895 CA ILE A 62 -5.890 -12.039 7.431 1.00 0.00 C ATOM 896 C ILE A 62 -6.111 -13.357 8.167 1.00 0.00 C ATOM 897 O ILE A 62 -5.255 -14.242 8.146 1.00 0.00 O ATOM 898 CB ILE A 62 -5.197 -11.044 8.381 1.00 0.00 C ATOM 899 CG1 ILE A 62 -4.927 -9.722 7.661 1.00 0.00 C ATOM 900 CG2 ILE A 62 -3.902 -11.637 8.916 1.00 0.00 C ATOM 901 CD1 ILE A 62 -4.563 -8.589 8.594 1.00 0.00 C ATOM 0 H ILE A 62 -7.646 -10.903 7.580 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.248 -12.210 6.567 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.859 -10.848 9.224 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.118 -9.866 6.945 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.812 -9.441 7.090 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.424 -10.922 9.586 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.120 -12.555 9.461 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.233 -11.859 8.085 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.385 -7.683 8.014 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.381 -8.417 9.294 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.660 -8.849 9.147 1.00 0.00 H new ATOM 913 N SER A 63 -7.265 -13.481 8.815 1.00 0.00 N ATOM 914 CA SER A 63 -7.598 -14.690 9.558 1.00 0.00 C ATOM 915 C SER A 63 -8.582 -15.555 8.777 1.00 0.00 C ATOM 916 O SER A 63 -8.364 -16.753 8.595 1.00 0.00 O ATOM 917 CB SER A 63 -8.190 -14.329 10.922 1.00 0.00 C ATOM 918 OG SER A 63 -8.403 -15.488 11.709 1.00 0.00 O ATOM 0 H SER A 63 -7.985 -12.759 8.840 1.00 0.00 H new ATOM 0 HA SER A 63 -6.680 -15.259 9.707 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.518 -13.649 11.445 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.134 -13.801 10.784 1.00 0.00 H new ATOM 0 HG SER A 63 -8.780 -15.230 12.576 1.00 0.00 H new ATOM 924 N MET A 64 -9.665 -14.939 8.316 1.00 0.00 N ATOM 925 CA MET A 64 -10.683 -15.652 7.553 1.00 0.00 C ATOM 926 C MET A 64 -10.094 -16.232 6.271 1.00 0.00 C ATOM 927 O MET A 64 -10.387 -17.369 5.899 1.00 0.00 O ATOM 928 CB MET A 64 -11.846 -14.717 7.216 1.00 0.00 C ATOM 929 CG MET A 64 -12.781 -14.464 8.388 1.00 0.00 C ATOM 930 SD MET A 64 -13.857 -13.041 8.124 1.00 0.00 S ATOM 931 CE MET A 64 -15.064 -13.283 9.425 1.00 0.00 C ATOM 0 H MET A 64 -9.861 -13.948 8.457 1.00 0.00 H new ATOM 0 HA MET A 64 -11.053 -16.474 8.167 1.00 0.00 H new ATOM 0 HB2 MET A 64 -11.447 -13.764 6.868 1.00 0.00 H new ATOM 0 HB3 MET A 64 -12.417 -15.143 6.391 1.00 0.00 H new ATOM 0 HG2 MET A 64 -13.392 -15.350 8.558 1.00 0.00 H new ATOM 0 HG3 MET A 64 -12.191 -14.306 9.291 1.00 0.00 H new ATOM 0 HE1 MET A 64 -15.800 -12.480 9.392 1.00 0.00 H new ATOM 0 HE2 MET A 64 -15.565 -14.240 9.283 1.00 0.00 H new ATOM 0 HE3 MET A 64 -14.562 -13.276 10.393 1.00 0.00 H new ATOM 941 N THR A 65 -9.262 -15.443 5.597 1.00 0.00 N ATOM 942 CA THR A 65 -8.633 -15.878 4.356 1.00 0.00 C ATOM 943 C THR A 65 -7.147 -16.152 4.559 1.00 0.00 C ATOM 944 O THR A 65 -6.449 -15.386 5.224 1.00 0.00 O ATOM 945 CB THR A 65 -8.803 -14.827 3.243 1.00 0.00 C ATOM 946 OG1 THR A 65 -10.194 -14.589 3.001 1.00 0.00 O ATOM 947 CG2 THR A 65 -8.131 -15.287 1.958 1.00 0.00 C ATOM 0 H THR A 65 -9.008 -14.500 5.890 1.00 0.00 H new ATOM 0 HA THR A 65 -9.131 -16.800 4.055 1.00 0.00 H new ATOM 0 HB THR A 65 -8.329 -13.902 3.572 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.293 -13.918 2.293 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.264 -14.529 1.186 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.067 -15.439 2.138 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.580 -16.224 1.628 1.00 0.00 H new ATOM 955 N THR A 66 -6.668 -17.249 3.981 1.00 0.00 N ATOM 956 CA THR A 66 -5.265 -17.624 4.099 1.00 0.00 C ATOM 957 C THR A 66 -4.444 -17.049 2.951 1.00 0.00 C ATOM 958 O THR A 66 -4.989 -16.452 2.023 1.00 0.00 O ATOM 959 CB THR A 66 -5.093 -19.155 4.123 1.00 0.00 C ATOM 960 OG1 THR A 66 -3.704 -19.490 4.214 1.00 0.00 O ATOM 961 CG2 THR A 66 -5.691 -19.786 2.875 1.00 0.00 C ATOM 0 H THR A 66 -7.232 -17.893 3.426 1.00 0.00 H new ATOM 0 HA THR A 66 -4.905 -17.211 5.041 1.00 0.00 H new ATOM 0 HB THR A 66 -5.618 -19.544 4.995 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.570 -20.414 3.915 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.558 -20.867 2.914 1.00 0.00 H new ATOM 0 HG22 THR A 66 -6.755 -19.553 2.824 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.190 -19.391 1.992 1.00 0.00 H new ATOM 969 N PHE A 67 -3.130 -17.235 3.018 1.00 0.00 N ATOM 970 CA PHE A 67 -2.233 -16.734 1.983 1.00 0.00 C ATOM 971 C PHE A 67 -1.159 -17.765 1.648 1.00 0.00 C ATOM 972 O PHE A 67 -1.171 -18.882 2.167 1.00 0.00 O ATOM 973 CB PHE A 67 -1.577 -15.427 2.435 1.00 0.00 C ATOM 974 CG PHE A 67 -2.544 -14.286 2.566 1.00 0.00 C ATOM 975 CD1 PHE A 67 -3.054 -13.659 1.440 1.00 0.00 C ATOM 976 CD2 PHE A 67 -2.945 -13.839 3.815 1.00 0.00 C ATOM 977 CE1 PHE A 67 -3.943 -12.608 1.557 1.00 0.00 C ATOM 978 CE2 PHE A 67 -3.834 -12.788 3.939 1.00 0.00 C ATOM 979 CZ PHE A 67 -4.335 -12.173 2.808 1.00 0.00 C ATOM 0 H PHE A 67 -2.663 -17.729 3.778 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.823 -16.545 1.086 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.086 -15.589 3.395 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.800 -15.154 1.721 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.753 -13.996 0.459 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.558 -14.318 4.702 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.331 -12.127 0.671 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -4.136 -12.448 4.918 1.00 0.00 H new ATOM 0 HZ PHE A 67 -5.032 -11.353 2.902 1.00 0.00 H new ATOM 989 N THR A 68 -0.231 -17.383 0.777 1.00 0.00 N ATOM 990 CA THR A 68 0.849 -18.273 0.370 1.00 0.00 C ATOM 991 C THR A 68 2.196 -17.561 0.417 1.00 0.00 C ATOM 992 O THR A 68 2.262 -16.334 0.342 1.00 0.00 O ATOM 993 CB THR A 68 0.620 -18.822 -1.051 1.00 0.00 C ATOM 994 OG1 THR A 68 1.765 -19.568 -1.478 1.00 0.00 O ATOM 995 CG2 THR A 68 0.350 -17.690 -2.031 1.00 0.00 C ATOM 0 H THR A 68 -0.206 -16.462 0.339 1.00 0.00 H new ATOM 0 HA THR A 68 0.856 -19.104 1.075 1.00 0.00 H new ATOM 0 HB THR A 68 -0.251 -19.477 -1.028 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.611 -19.915 -2.381 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.191 -18.102 -3.028 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.539 -17.143 -1.719 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.204 -17.013 -2.050 1.00 0.00 H new ATOM 1003 N GLN A 69 3.267 -18.338 0.540 1.00 0.00 N ATOM 1004 CA GLN A 69 4.613 -17.780 0.596 1.00 0.00 C ATOM 1005 C GLN A 69 4.735 -16.560 -0.312 1.00 0.00 C ATOM 1006 O GLN A 69 5.068 -15.467 0.144 1.00 0.00 O ATOM 1007 CB GLN A 69 5.643 -18.836 0.193 1.00 0.00 C ATOM 1008 CG GLN A 69 7.047 -18.540 0.697 1.00 0.00 C ATOM 1009 CD GLN A 69 7.109 -18.408 2.206 1.00 0.00 C ATOM 1010 OE1 GLN A 69 6.218 -18.870 2.918 1.00 0.00 O ATOM 1011 NE2 GLN A 69 8.166 -17.774 2.701 1.00 0.00 N ATOM 0 H GLN A 69 3.229 -19.355 0.603 1.00 0.00 H new ATOM 0 HA GLN A 69 4.807 -17.467 1.622 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.325 -19.806 0.576 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.665 -18.914 -0.894 1.00 0.00 H new ATOM 0 HG2 GLN A 69 7.719 -19.337 0.378 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.406 -17.618 0.240 1.00 0.00 H new ATOM 0 HE21 GLN A 69 8.881 -17.407 2.073 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.263 -17.654 3.709 1.00 0.00 H new ATOM 1020 N GLN A 70 4.463 -16.757 -1.598 1.00 0.00 N ATOM 1021 CA GLN A 70 4.543 -15.673 -2.569 1.00 0.00 C ATOM 1022 C GLN A 70 3.910 -14.399 -2.018 1.00 0.00 C ATOM 1023 O GLN A 70 4.600 -13.412 -1.766 1.00 0.00 O ATOM 1024 CB GLN A 70 3.853 -16.076 -3.874 1.00 0.00 C ATOM 1025 CG GLN A 70 4.411 -17.349 -4.489 1.00 0.00 C ATOM 1026 CD GLN A 70 5.890 -17.244 -4.806 1.00 0.00 C ATOM 1027 OE1 GLN A 70 6.403 -16.158 -5.079 1.00 0.00 O ATOM 1028 NE2 GLN A 70 6.585 -18.375 -4.771 1.00 0.00 N ATOM 0 H GLN A 70 4.186 -17.656 -1.991 1.00 0.00 H new ATOM 0 HA GLN A 70 5.596 -15.476 -2.769 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.788 -16.210 -3.686 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.950 -15.262 -4.593 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.248 -18.181 -3.804 1.00 0.00 H new ATOM 0 HG3 GLN A 70 3.863 -17.577 -5.403 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.119 -19.253 -4.540 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.584 -18.366 -4.975 1.00 0.00 H new ATOM 1037 N GLU A 71 2.594 -14.430 -1.834 1.00 0.00 N ATOM 1038 CA GLU A 71 1.869 -13.277 -1.313 1.00 0.00 C ATOM 1039 C GLU A 71 2.579 -12.693 -0.095 1.00 0.00 C ATOM 1040 O GLU A 71 2.871 -11.498 -0.048 1.00 0.00 O ATOM 1041 CB GLU A 71 0.438 -13.671 -0.943 1.00 0.00 C ATOM 1042 CG GLU A 71 -0.370 -14.203 -2.115 1.00 0.00 C ATOM 1043 CD GLU A 71 -1.764 -14.641 -1.712 1.00 0.00 C ATOM 1044 OE1 GLU A 71 -1.878 -15.580 -0.897 1.00 0.00 O ATOM 1045 OE2 GLU A 71 -2.742 -14.046 -2.212 1.00 0.00 O ATOM 0 H GLU A 71 2.009 -15.240 -2.038 1.00 0.00 H new ATOM 0 HA GLU A 71 1.838 -12.516 -2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.470 -14.429 -0.161 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.072 -12.803 -0.525 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.443 -13.431 -2.881 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.157 -15.046 -2.562 1.00 0.00 H new ATOM 1052 N ILE A 72 2.851 -13.544 0.888 1.00 0.00 N ATOM 1053 CA ILE A 72 3.526 -13.113 2.106 1.00 0.00 C ATOM 1054 C ILE A 72 4.685 -12.174 1.789 1.00 0.00 C ATOM 1055 O ILE A 72 4.740 -11.051 2.290 1.00 0.00 O ATOM 1056 CB ILE A 72 4.059 -14.314 2.910 1.00 0.00 C ATOM 1057 CG1 ILE A 72 2.909 -15.245 3.299 1.00 0.00 C ATOM 1058 CG2 ILE A 72 4.802 -13.835 4.148 1.00 0.00 C ATOM 1059 CD1 ILE A 72 1.895 -14.602 4.219 1.00 0.00 C ATOM 0 H ILE A 72 2.614 -14.536 0.865 1.00 0.00 H new ATOM 0 HA ILE A 72 2.786 -12.584 2.706 1.00 0.00 H new ATOM 0 HB ILE A 72 4.757 -14.871 2.284 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.404 -15.583 2.394 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.318 -16.131 3.785 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.173 -14.695 4.706 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.642 -13.208 3.848 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.125 -13.258 4.778 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.109 -15.320 4.453 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.386 -14.289 5.140 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.458 -13.733 3.728 1.00 0.00 H new ATOM 1071 N GLU A 73 5.607 -12.641 0.953 1.00 0.00 N ATOM 1072 CA GLU A 73 6.764 -11.841 0.569 1.00 0.00 C ATOM 1073 C GLU A 73 6.328 -10.536 -0.092 1.00 0.00 C ATOM 1074 O GLU A 73 6.826 -9.461 0.244 1.00 0.00 O ATOM 1075 CB GLU A 73 7.664 -12.631 -0.383 1.00 0.00 C ATOM 1076 CG GLU A 73 8.695 -13.492 0.328 1.00 0.00 C ATOM 1077 CD GLU A 73 9.956 -13.689 -0.490 1.00 0.00 C ATOM 1078 OE1 GLU A 73 9.842 -14.056 -1.678 1.00 0.00 O ATOM 1079 OE2 GLU A 73 11.058 -13.474 0.058 1.00 0.00 O ATOM 0 H GLU A 73 5.575 -13.568 0.529 1.00 0.00 H new ATOM 0 HA GLU A 73 7.324 -11.601 1.473 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.043 -13.268 -1.012 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.179 -11.934 -1.045 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.953 -13.030 1.281 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.257 -14.464 0.553 1.00 0.00 H new ATOM 1086 N PHE A 74 5.396 -10.639 -1.033 1.00 0.00 N ATOM 1087 CA PHE A 74 4.894 -9.468 -1.743 1.00 0.00 C ATOM 1088 C PHE A 74 4.459 -8.383 -0.762 1.00 0.00 C ATOM 1089 O PHE A 74 4.655 -7.192 -1.008 1.00 0.00 O ATOM 1090 CB PHE A 74 3.721 -9.856 -2.645 1.00 0.00 C ATOM 1091 CG PHE A 74 2.930 -8.679 -3.140 1.00 0.00 C ATOM 1092 CD1 PHE A 74 2.007 -8.053 -2.319 1.00 0.00 C ATOM 1093 CD2 PHE A 74 3.111 -8.199 -4.427 1.00 0.00 C ATOM 1094 CE1 PHE A 74 1.278 -6.970 -2.772 1.00 0.00 C ATOM 1095 CE2 PHE A 74 2.385 -7.116 -4.886 1.00 0.00 C ATOM 1096 CZ PHE A 74 1.468 -6.500 -4.057 1.00 0.00 C ATOM 0 H PHE A 74 4.973 -11.521 -1.322 1.00 0.00 H new ATOM 0 HA PHE A 74 5.702 -9.074 -2.359 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.100 -10.414 -3.501 1.00 0.00 H new ATOM 0 HB3 PHE A 74 3.057 -10.525 -2.097 1.00 0.00 H new ATOM 0 HD1 PHE A 74 1.855 -8.415 -1.313 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.827 -8.676 -5.079 1.00 0.00 H new ATOM 0 HE1 PHE A 74 0.560 -6.491 -2.122 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.535 -6.752 -5.892 1.00 0.00 H new ATOM 0 HZ PHE A 74 0.901 -5.653 -4.413 1.00 0.00 H new ATOM 1106 N LEU A 75 3.866 -8.803 0.350 1.00 0.00 N ATOM 1107 CA LEU A 75 3.402 -7.868 1.370 1.00 0.00 C ATOM 1108 C LEU A 75 4.579 -7.241 2.110 1.00 0.00 C ATOM 1109 O LEU A 75 4.784 -6.029 2.052 1.00 0.00 O ATOM 1110 CB LEU A 75 2.482 -8.581 2.362 1.00 0.00 C ATOM 1111 CG LEU A 75 0.994 -8.589 2.012 1.00 0.00 C ATOM 1112 CD1 LEU A 75 0.263 -9.658 2.809 1.00 0.00 C ATOM 1113 CD2 LEU A 75 0.379 -7.220 2.265 1.00 0.00 C ATOM 0 H LEU A 75 3.695 -9.785 0.569 1.00 0.00 H new ATOM 0 HA LEU A 75 2.845 -7.074 0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.817 -9.614 2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.602 -8.113 3.339 1.00 0.00 H new ATOM 0 HG LEU A 75 0.892 -8.822 0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.795 -9.648 2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.685 -10.636 2.578 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.374 -9.457 3.875 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.681 -7.244 2.010 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.493 -6.959 3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.883 -6.475 1.649 1.00 0.00 H new ATOM 1125 N GLN A 76 5.348 -8.074 2.802 1.00 0.00 N ATOM 1126 CA GLN A 76 6.505 -7.600 3.552 1.00 0.00 C ATOM 1127 C GLN A 76 7.366 -6.675 2.698 1.00 0.00 C ATOM 1128 O GLN A 76 7.775 -5.603 3.143 1.00 0.00 O ATOM 1129 CB GLN A 76 7.341 -8.784 4.044 1.00 0.00 C ATOM 1130 CG GLN A 76 6.544 -9.800 4.846 1.00 0.00 C ATOM 1131 CD GLN A 76 7.427 -10.809 5.552 1.00 0.00 C ATOM 1132 OE1 GLN A 76 7.842 -10.598 6.692 1.00 0.00 O ATOM 1133 NE2 GLN A 76 7.721 -11.914 4.876 1.00 0.00 N ATOM 0 H GLN A 76 5.191 -9.080 2.859 1.00 0.00 H new ATOM 0 HA GLN A 76 6.143 -7.038 4.412 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.790 -9.283 3.185 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.160 -8.410 4.659 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.935 -9.278 5.583 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.859 -10.325 4.181 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.355 -12.048 3.933 1.00 0.00 H new ATOM 0 HE22 GLN A 76 8.312 -12.629 5.300 1.00 0.00 H new ATOM 1142 N LYS A 77 7.638 -7.097 1.468 1.00 0.00 N ATOM 1143 CA LYS A 77 8.449 -6.307 0.549 1.00 0.00 C ATOM 1144 C LYS A 77 7.980 -4.856 0.519 1.00 0.00 C ATOM 1145 O LYS A 77 8.783 -3.936 0.362 1.00 0.00 O ATOM 1146 CB LYS A 77 8.390 -6.903 -0.859 1.00 0.00 C ATOM 1147 CG LYS A 77 9.246 -8.146 -1.030 1.00 0.00 C ATOM 1148 CD LYS A 77 9.127 -8.716 -2.434 1.00 0.00 C ATOM 1149 CE LYS A 77 10.131 -8.077 -3.381 1.00 0.00 C ATOM 1150 NZ LYS A 77 9.708 -8.201 -4.804 1.00 0.00 N ATOM 0 H LYS A 77 7.308 -7.983 1.084 1.00 0.00 H new ATOM 0 HA LYS A 77 9.480 -6.330 0.903 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.355 -7.149 -1.097 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.712 -6.149 -1.577 1.00 0.00 H new ATOM 0 HG2 LYS A 77 10.288 -7.903 -0.822 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.944 -8.900 -0.303 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.287 -9.794 -2.405 1.00 0.00 H new ATOM 0 HD3 LYS A 77 8.117 -8.554 -2.809 1.00 0.00 H new ATOM 0 HE2 LYS A 77 10.249 -7.023 -3.128 1.00 0.00 H new ATOM 0 HE3 LYS A 77 11.105 -8.548 -3.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.418 -7.753 -5.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.619 -9.207 -5.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.790 -7.730 -4.936 1.00 0.00 H new ATOM 1164 N HIS A 78 6.674 -4.658 0.671 1.00 0.00 N ATOM 1165 CA HIS A 78 6.098 -3.318 0.664 1.00 0.00 C ATOM 1166 C HIS A 78 5.720 -2.881 2.075 1.00 0.00 C ATOM 1167 O HIS A 78 6.402 -2.058 2.685 1.00 0.00 O ATOM 1168 CB HIS A 78 4.868 -3.274 -0.243 1.00 0.00 C ATOM 1169 CG HIS A 78 5.201 -3.170 -1.700 1.00 0.00 C ATOM 1170 ND1 HIS A 78 5.413 -4.271 -2.504 1.00 0.00 N ATOM 1171 CD2 HIS A 78 5.356 -2.088 -2.498 1.00 0.00 C ATOM 1172 CE1 HIS A 78 5.686 -3.869 -3.732 1.00 0.00 C ATOM 1173 NE2 HIS A 78 5.658 -2.549 -3.755 1.00 0.00 N ATOM 0 H HIS A 78 5.995 -5.408 0.800 1.00 0.00 H new ATOM 0 HA HIS A 78 6.849 -2.629 0.279 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.273 -4.172 -0.078 1.00 0.00 H new ATOM 0 HB3 HIS A 78 4.248 -2.424 0.041 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.260 -1.054 -2.201 1.00 0.00 H new ATOM 0 HE1 HIS A 78 5.896 -4.511 -4.575 1.00 0.00 H new ATOM 0 HE2 HIS A 78 5.832 -1.967 -4.574 1.00 0.00 H new ATOM 1181 N GLY A 79 4.628 -3.438 2.590 1.00 0.00 N ATOM 1182 CA GLY A 79 4.177 -3.092 3.925 1.00 0.00 C ATOM 1183 C GLY A 79 3.963 -1.602 4.098 1.00 0.00 C ATOM 1184 O GLY A 79 4.456 -0.801 3.304 1.00 0.00 O ATOM 0 H GLY A 79 4.048 -4.123 2.106 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.245 -3.617 4.137 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.911 -3.437 4.654 1.00 0.00 H new ATOM 1188 N ASN A 80 3.224 -1.228 5.137 1.00 0.00 N ATOM 1189 CA ASN A 80 2.944 0.177 5.410 1.00 0.00 C ATOM 1190 C ASN A 80 4.237 0.959 5.620 1.00 0.00 C ATOM 1191 O ASN A 80 4.240 2.189 5.598 1.00 0.00 O ATOM 1192 CB ASN A 80 2.048 0.310 6.642 1.00 0.00 C ATOM 1193 CG ASN A 80 0.868 -0.641 6.605 1.00 0.00 C ATOM 1194 OD1 ASN A 80 0.834 -1.574 5.802 1.00 0.00 O ATOM 1195 ND2 ASN A 80 -0.108 -0.408 7.475 1.00 0.00 N ATOM 0 H ASN A 80 2.808 -1.878 5.804 1.00 0.00 H new ATOM 0 HA ASN A 80 2.426 0.593 4.546 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.637 0.118 7.539 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.683 1.335 6.713 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -0.928 -1.014 7.496 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.038 0.377 8.122 1.00 0.00 H new ATOM 1202 N GLU A 81 5.333 0.235 5.825 1.00 0.00 N ATOM 1203 CA GLU A 81 6.632 0.862 6.040 1.00 0.00 C ATOM 1204 C GLU A 81 6.930 1.886 4.949 1.00 0.00 C ATOM 1205 O GLU A 81 7.058 3.080 5.221 1.00 0.00 O ATOM 1206 CB GLU A 81 7.735 -0.198 6.073 1.00 0.00 C ATOM 1207 CG GLU A 81 9.117 0.369 6.353 1.00 0.00 C ATOM 1208 CD GLU A 81 10.055 -0.654 6.964 1.00 0.00 C ATOM 1209 OE1 GLU A 81 10.403 -1.630 6.266 1.00 0.00 O ATOM 1210 OE2 GLU A 81 10.441 -0.479 8.138 1.00 0.00 O ATOM 0 H GLU A 81 5.347 -0.785 5.847 1.00 0.00 H new ATOM 0 HA GLU A 81 6.603 1.377 7.000 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.494 -0.938 6.836 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.753 -0.721 5.117 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.548 0.742 5.424 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.026 1.221 7.027 1.00 0.00 H new ATOM 1217 N VAL A 82 7.038 1.411 3.712 1.00 0.00 N ATOM 1218 CA VAL A 82 7.320 2.284 2.579 1.00 0.00 C ATOM 1219 C VAL A 82 6.031 2.743 1.905 1.00 0.00 C ATOM 1220 O VAL A 82 5.908 3.899 1.500 1.00 0.00 O ATOM 1221 CB VAL A 82 8.210 1.582 1.537 1.00 0.00 C ATOM 1222 CG1 VAL A 82 9.560 1.226 2.140 1.00 0.00 C ATOM 1223 CG2 VAL A 82 7.516 0.342 0.994 1.00 0.00 C ATOM 0 H VAL A 82 6.934 0.426 3.469 1.00 0.00 H new ATOM 0 HA VAL A 82 7.850 3.152 2.972 1.00 0.00 H new ATOM 0 HB VAL A 82 8.380 2.269 0.708 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.175 0.731 1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.059 2.135 2.476 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.415 0.557 2.988 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.159 -0.142 0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.315 -0.350 1.812 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.576 0.628 0.522 1.00 0.00 H new ATOM 1233 N CYS A 83 5.074 1.830 1.790 1.00 0.00 N ATOM 1234 CA CYS A 83 3.793 2.140 1.164 1.00 0.00 C ATOM 1235 C CYS A 83 3.295 3.515 1.597 1.00 0.00 C ATOM 1236 O CYS A 83 3.240 4.448 0.796 1.00 0.00 O ATOM 1237 CB CYS A 83 2.756 1.073 1.520 1.00 0.00 C ATOM 1238 SG CYS A 83 2.743 -0.347 0.401 1.00 0.00 S ATOM 0 H CYS A 83 5.160 0.869 2.122 1.00 0.00 H new ATOM 0 HA CYS A 83 3.937 2.150 0.084 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.946 0.721 2.534 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.766 1.530 1.521 1.00 0.00 H new ATOM 0 HG CYS A 83 1.835 -1.194 0.786 1.00 0.00 H new ATOM 1244 N LYS A 84 2.932 3.633 2.870 1.00 0.00 N ATOM 1245 CA LYS A 84 2.438 4.894 3.411 1.00 0.00 C ATOM 1246 C LYS A 84 3.228 6.073 2.852 1.00 0.00 C ATOM 1247 O LYS A 84 2.695 6.885 2.097 1.00 0.00 O ATOM 1248 CB LYS A 84 2.526 4.886 4.939 1.00 0.00 C ATOM 1249 CG LYS A 84 1.739 6.005 5.599 1.00 0.00 C ATOM 1250 CD LYS A 84 1.201 5.583 6.956 1.00 0.00 C ATOM 1251 CE LYS A 84 0.824 6.787 7.805 1.00 0.00 C ATOM 1252 NZ LYS A 84 1.959 7.244 8.653 1.00 0.00 N ATOM 0 H LYS A 84 2.971 2.870 3.546 1.00 0.00 H new ATOM 0 HA LYS A 84 1.395 5.005 3.113 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.161 3.928 5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.572 4.965 5.235 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.378 6.880 5.716 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.911 6.299 4.954 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.328 4.945 6.820 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.952 4.989 7.478 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.503 7.603 7.157 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.024 6.532 8.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.662 8.066 9.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.249 6.474 9.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.760 7.511 8.046 1.00 0.00 H new ATOM 1266 N GLN A 85 4.500 6.158 3.227 1.00 0.00 N ATOM 1267 CA GLN A 85 5.363 7.237 2.762 1.00 0.00 C ATOM 1268 C GLN A 85 5.181 7.473 1.266 1.00 0.00 C ATOM 1269 O GLN A 85 4.968 8.603 0.827 1.00 0.00 O ATOM 1270 CB GLN A 85 6.827 6.915 3.065 1.00 0.00 C ATOM 1271 CG GLN A 85 7.255 7.297 4.473 1.00 0.00 C ATOM 1272 CD GLN A 85 8.700 6.941 4.761 1.00 0.00 C ATOM 1273 OE1 GLN A 85 9.621 7.633 4.325 1.00 0.00 O ATOM 1274 NE2 GLN A 85 8.907 5.857 5.500 1.00 0.00 N ATOM 0 H GLN A 85 4.956 5.493 3.851 1.00 0.00 H new ATOM 0 HA GLN A 85 5.082 8.147 3.292 1.00 0.00 H new ATOM 0 HB2 GLN A 85 6.993 5.847 2.921 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.461 7.436 2.348 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.114 8.369 4.613 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.610 6.794 5.194 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.114 5.313 5.841 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.859 5.569 5.727 1.00 0.00 H new ATOM 1283 N ILE A 86 5.268 6.399 0.488 1.00 0.00 N ATOM 1284 CA ILE A 86 5.113 6.489 -0.958 1.00 0.00 C ATOM 1285 C ILE A 86 3.826 7.219 -1.328 1.00 0.00 C ATOM 1286 O ILE A 86 3.743 7.861 -2.376 1.00 0.00 O ATOM 1287 CB ILE A 86 5.105 5.095 -1.612 1.00 0.00 C ATOM 1288 CG1 ILE A 86 6.513 4.496 -1.605 1.00 0.00 C ATOM 1289 CG2 ILE A 86 4.566 5.179 -3.032 1.00 0.00 C ATOM 1290 CD1 ILE A 86 6.543 3.019 -1.928 1.00 0.00 C ATOM 0 H ILE A 86 5.445 5.456 0.835 1.00 0.00 H new ATOM 0 HA ILE A 86 5.968 7.052 -1.332 1.00 0.00 H new ATOM 0 HB ILE A 86 4.450 4.443 -1.034 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.130 5.030 -2.328 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.962 4.654 -0.624 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.567 4.186 -3.481 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.548 5.568 -3.012 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.197 5.844 -3.622 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.573 2.662 -1.905 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.953 2.473 -1.191 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.124 2.855 -2.921 1.00 0.00 H new ATOM 1302 N TRP A 87 2.825 7.118 -0.461 1.00 0.00 N ATOM 1303 CA TRP A 87 1.542 7.771 -0.696 1.00 0.00 C ATOM 1304 C TRP A 87 1.490 9.132 -0.012 1.00 0.00 C ATOM 1305 O TRP A 87 0.611 9.947 -0.295 1.00 0.00 O ATOM 1306 CB TRP A 87 0.398 6.889 -0.191 1.00 0.00 C ATOM 1307 CG TRP A 87 0.258 5.605 -0.952 1.00 0.00 C ATOM 1308 CD1 TRP A 87 0.640 4.361 -0.537 1.00 0.00 C ATOM 1309 CD2 TRP A 87 -0.303 5.440 -2.259 1.00 0.00 C ATOM 1310 NE1 TRP A 87 0.351 3.433 -1.508 1.00 0.00 N ATOM 1311 CE2 TRP A 87 -0.229 4.069 -2.574 1.00 0.00 C ATOM 1312 CE3 TRP A 87 -0.862 6.316 -3.193 1.00 0.00 C ATOM 1313 CZ2 TRP A 87 -0.692 3.558 -3.783 1.00 0.00 C ATOM 1314 CZ3 TRP A 87 -1.321 5.807 -4.392 1.00 0.00 C ATOM 1315 CH2 TRP A 87 -1.234 4.438 -4.679 1.00 0.00 C ATOM 0 H TRP A 87 2.877 6.591 0.411 1.00 0.00 H new ATOM 0 HA TRP A 87 1.430 7.921 -1.770 1.00 0.00 H new ATOM 0 HB2 TRP A 87 0.561 6.663 0.863 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -0.537 7.446 -0.257 1.00 0.00 H new ATOM 0 HD1 TRP A 87 1.101 4.140 0.414 1.00 0.00 H new ATOM 0 HE1 TRP A 87 0.538 2.432 -1.445 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -0.934 7.373 -2.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -0.626 2.503 -4.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -1.754 6.476 -5.121 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.602 4.071 -5.626 1.00 0.00 H new ATOM 1326 N LEU A 88 2.437 9.374 0.887 1.00 0.00 N ATOM 1327 CA LEU A 88 2.500 10.639 1.612 1.00 0.00 C ATOM 1328 C LEU A 88 3.753 11.422 1.233 1.00 0.00 C ATOM 1329 O LEU A 88 4.170 12.330 1.950 1.00 0.00 O ATOM 1330 CB LEU A 88 2.478 10.387 3.120 1.00 0.00 C ATOM 1331 CG LEU A 88 1.561 9.261 3.600 1.00 0.00 C ATOM 1332 CD1 LEU A 88 1.118 9.508 5.033 1.00 0.00 C ATOM 1333 CD2 LEU A 88 0.354 9.129 2.682 1.00 0.00 C ATOM 0 H LEU A 88 3.172 8.711 1.132 1.00 0.00 H new ATOM 0 HA LEU A 88 1.627 11.231 1.337 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.494 10.164 3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.179 11.309 3.618 1.00 0.00 H new ATOM 0 HG LEU A 88 2.120 8.325 3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.466 8.697 5.357 1.00 0.00 H new ATOM 0 HD12 LEU A 88 1.993 9.552 5.682 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.577 10.453 5.089 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.288 8.323 3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.205 10.064 2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.690 8.905 1.670 1.00 0.00 H new ATOM 1345 N GLY A 89 4.349 11.064 0.099 1.00 0.00 N ATOM 1346 CA GLY A 89 5.547 11.744 -0.356 1.00 0.00 C ATOM 1347 C GLY A 89 5.448 13.250 -0.215 1.00 0.00 C ATOM 1348 O GLY A 89 6.339 13.889 0.345 1.00 0.00 O ATOM 0 H GLY A 89 4.023 10.315 -0.512 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.404 11.384 0.214 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.730 11.491 -1.400 1.00 0.00 H new ATOM 1352 N LEU A 90 4.362 13.820 -0.726 1.00 0.00 N ATOM 1353 CA LEU A 90 4.150 15.262 -0.656 1.00 0.00 C ATOM 1354 C LEU A 90 3.522 15.656 0.677 1.00 0.00 C ATOM 1355 O LEU A 90 3.929 16.636 1.301 1.00 0.00 O ATOM 1356 CB LEU A 90 3.256 15.722 -1.809 1.00 0.00 C ATOM 1357 CG LEU A 90 3.975 16.104 -3.104 1.00 0.00 C ATOM 1358 CD1 LEU A 90 2.972 16.518 -4.169 1.00 0.00 C ATOM 1359 CD2 LEU A 90 4.976 17.221 -2.848 1.00 0.00 C ATOM 0 H LEU A 90 3.615 13.306 -1.193 1.00 0.00 H new ATOM 0 HA LEU A 90 5.120 15.752 -0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.546 14.925 -2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.676 16.581 -1.472 1.00 0.00 H new ATOM 0 HG LEU A 90 4.519 15.232 -3.466 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.502 16.786 -5.083 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.294 15.689 -4.372 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.400 17.376 -3.816 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.478 17.480 -3.780 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.454 18.096 -2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.714 16.888 -2.118 1.00 0.00 H new ATOM 1371 N PHE A 91 2.530 14.884 1.109 1.00 0.00 N ATOM 1372 CA PHE A 91 1.846 15.152 2.369 1.00 0.00 C ATOM 1373 C PHE A 91 2.816 15.712 3.406 1.00 0.00 C ATOM 1374 O PHE A 91 3.891 15.155 3.630 1.00 0.00 O ATOM 1375 CB PHE A 91 1.195 13.874 2.902 1.00 0.00 C ATOM 1376 CG PHE A 91 -0.047 14.125 3.709 1.00 0.00 C ATOM 1377 CD1 PHE A 91 0.040 14.477 5.047 1.00 0.00 C ATOM 1378 CD2 PHE A 91 -1.300 14.011 3.130 1.00 0.00 C ATOM 1379 CE1 PHE A 91 -1.100 14.708 5.792 1.00 0.00 C ATOM 1380 CE2 PHE A 91 -2.445 14.241 3.871 1.00 0.00 C ATOM 1381 CZ PHE A 91 -2.344 14.591 5.203 1.00 0.00 C ATOM 0 H PHE A 91 2.182 14.068 0.605 1.00 0.00 H new ATOM 0 HA PHE A 91 1.071 15.896 2.182 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.948 13.224 2.062 1.00 0.00 H new ATOM 0 HB3 PHE A 91 1.917 13.338 3.518 1.00 0.00 H new ATOM 0 HD1 PHE A 91 1.010 14.572 5.512 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -1.384 13.739 2.088 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -1.019 14.980 6.834 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.416 14.147 3.409 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.236 14.773 5.783 1.00 0.00 H new ATOM 1490 N PRO A 99 -7.676 13.501 8.376 1.00 0.00 N ATOM 1491 CA PRO A 99 -9.118 13.496 8.638 1.00 0.00 C ATOM 1492 C PRO A 99 -9.486 12.634 9.842 1.00 0.00 C ATOM 1493 O PRO A 99 -8.613 12.180 10.582 1.00 0.00 O ATOM 1494 CB PRO A 99 -9.709 12.904 7.356 1.00 0.00 C ATOM 1495 CG PRO A 99 -8.613 12.076 6.781 1.00 0.00 C ATOM 1496 CD PRO A 99 -7.332 12.776 7.142 1.00 0.00 C ATOM 0 HA PRO A 99 -9.492 14.492 8.876 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.591 12.300 7.569 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -10.018 13.687 6.664 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -8.633 11.065 7.188 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -8.718 11.987 5.700 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.519 12.068 7.305 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.009 13.456 6.353 1.00 0.00 H new ATOM 1504 N ASP A 100 -10.782 12.413 10.031 1.00 0.00 N ATOM 1505 CA ASP A 100 -11.265 11.604 11.144 1.00 0.00 C ATOM 1506 C ASP A 100 -11.460 10.153 10.717 1.00 0.00 C ATOM 1507 O ASP A 100 -11.599 9.858 9.530 1.00 0.00 O ATOM 1508 CB ASP A 100 -12.579 12.172 11.683 1.00 0.00 C ATOM 1509 CG ASP A 100 -13.394 12.864 10.608 1.00 0.00 C ATOM 1510 OD1 ASP A 100 -12.930 13.901 10.088 1.00 0.00 O ATOM 1511 OD2 ASP A 100 -14.495 12.371 10.287 1.00 0.00 O ATOM 0 H ASP A 100 -11.517 12.783 9.428 1.00 0.00 H new ATOM 0 HA ASP A 100 -10.515 11.633 11.934 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.168 11.366 12.119 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -12.364 12.879 12.484 1.00 0.00 H new ATOM 1516 N PHE A 101 -11.468 9.250 11.692 1.00 0.00 N ATOM 1517 CA PHE A 101 -11.644 7.829 11.417 1.00 0.00 C ATOM 1518 C PHE A 101 -12.990 7.337 11.940 1.00 0.00 C ATOM 1519 O PHE A 101 -13.549 6.366 11.429 1.00 0.00 O ATOM 1520 CB PHE A 101 -10.511 7.021 12.053 1.00 0.00 C ATOM 1521 CG PHE A 101 -9.157 7.648 11.880 1.00 0.00 C ATOM 1522 CD1 PHE A 101 -8.698 8.000 10.621 1.00 0.00 C ATOM 1523 CD2 PHE A 101 -8.343 7.885 12.976 1.00 0.00 C ATOM 1524 CE1 PHE A 101 -7.453 8.577 10.458 1.00 0.00 C ATOM 1525 CE2 PHE A 101 -7.098 8.463 12.819 1.00 0.00 C ATOM 1526 CZ PHE A 101 -6.651 8.808 11.558 1.00 0.00 C ATOM 0 H PHE A 101 -11.355 9.477 12.680 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.620 7.688 10.336 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -10.714 6.901 13.117 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.498 6.022 11.617 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.321 7.821 9.757 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.686 7.615 13.964 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -7.108 8.847 9.471 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.474 8.645 13.682 1.00 0.00 H new ATOM 0 HZ PHE A 101 -5.677 9.257 11.433 1.00 0.00 H new ATOM 1536 N ARG A 102 -13.505 8.013 12.962 1.00 0.00 N ATOM 1537 CA ARG A 102 -14.784 7.643 13.556 1.00 0.00 C ATOM 1538 C ARG A 102 -15.868 7.535 12.488 1.00 0.00 C ATOM 1539 O ARG A 102 -16.856 6.821 12.662 1.00 0.00 O ATOM 1540 CB ARG A 102 -15.195 8.670 14.613 1.00 0.00 C ATOM 1541 CG ARG A 102 -14.506 8.474 15.953 1.00 0.00 C ATOM 1542 CD ARG A 102 -13.021 8.790 15.868 1.00 0.00 C ATOM 1543 NE ARG A 102 -12.492 9.280 17.138 1.00 0.00 N ATOM 1544 CZ ARG A 102 -12.738 10.495 17.616 1.00 0.00 C ATOM 1545 NH1 ARG A 102 -13.501 11.338 16.934 1.00 0.00 N ATOM 1546 NH2 ARG A 102 -12.220 10.868 18.780 1.00 0.00 N ATOM 0 H ARG A 102 -13.056 8.820 13.396 1.00 0.00 H new ATOM 0 HA ARG A 102 -14.668 6.669 14.031 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -14.971 9.670 14.242 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -16.274 8.618 14.758 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -14.973 9.115 16.701 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -14.642 7.445 16.286 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -12.476 7.894 15.570 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -12.853 9.538 15.093 1.00 0.00 H new ATOM 0 HE ARG A 102 -11.902 8.656 17.688 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -13.901 11.054 16.040 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -13.688 12.270 17.304 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -11.633 10.222 19.308 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -12.409 11.801 19.147 1.00 0.00 H new ATOM 1560 N ASP A 103 -15.677 8.249 11.384 1.00 0.00 N ATOM 1561 CA ASP A 103 -16.638 8.233 10.287 1.00 0.00 C ATOM 1562 C ASP A 103 -16.013 7.644 9.026 1.00 0.00 C ATOM 1563 O ASP A 103 -15.079 8.201 8.448 1.00 0.00 O ATOM 1564 CB ASP A 103 -17.147 9.648 10.006 1.00 0.00 C ATOM 1565 CG ASP A 103 -18.021 10.181 11.124 1.00 0.00 C ATOM 1566 OD1 ASP A 103 -17.568 10.172 12.287 1.00 0.00 O ATOM 1567 OD2 ASP A 103 -19.160 10.605 10.835 1.00 0.00 O ATOM 0 H ASP A 103 -14.865 8.846 11.225 1.00 0.00 H new ATOM 0 HA ASP A 103 -17.479 7.605 10.582 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -16.297 10.315 9.864 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -17.713 9.649 9.074 1.00 0.00 H new ATOM 1572 N PRO A 104 -16.539 6.490 8.588 1.00 0.00 N ATOM 1573 CA PRO A 104 -16.048 5.800 7.391 1.00 0.00 C ATOM 1574 C PRO A 104 -16.384 6.554 6.109 1.00 0.00 C ATOM 1575 O PRO A 104 -15.992 6.143 5.017 1.00 0.00 O ATOM 1576 CB PRO A 104 -16.781 4.457 7.431 1.00 0.00 C ATOM 1577 CG PRO A 104 -18.021 4.725 8.211 1.00 0.00 C ATOM 1578 CD PRO A 104 -17.653 5.771 9.227 1.00 0.00 C ATOM 0 HA PRO A 104 -14.962 5.708 7.389 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -17.014 4.103 6.427 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -16.173 3.688 7.907 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -18.822 5.077 7.561 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -18.380 3.818 8.697 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -18.490 6.436 9.441 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -17.352 5.323 10.174 1.00 0.00 H new ATOM 1586 N GLN A 105 -17.111 7.657 6.250 1.00 0.00 N ATOM 1587 CA GLN A 105 -17.499 8.467 5.101 1.00 0.00 C ATOM 1588 C GLN A 105 -16.430 9.506 4.781 1.00 0.00 C ATOM 1589 O GLN A 105 -16.107 9.743 3.617 1.00 0.00 O ATOM 1590 CB GLN A 105 -18.837 9.160 5.368 1.00 0.00 C ATOM 1591 CG GLN A 105 -19.617 9.485 4.104 1.00 0.00 C ATOM 1592 CD GLN A 105 -19.938 8.251 3.284 1.00 0.00 C ATOM 1593 OE1 GLN A 105 -20.272 7.199 3.829 1.00 0.00 O ATOM 1594 NE2 GLN A 105 -19.840 8.374 1.965 1.00 0.00 N ATOM 0 H GLN A 105 -17.443 8.010 7.147 1.00 0.00 H new ATOM 0 HA GLN A 105 -17.605 7.806 4.241 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -19.447 8.521 6.007 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -18.655 10.082 5.920 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -20.545 9.989 4.374 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -19.041 10.182 3.495 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -19.560 9.265 1.555 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -20.045 7.577 1.362 1.00 0.00 H new ATOM 1603 N LYS A 106 -15.883 10.126 5.822 1.00 0.00 N ATOM 1604 CA LYS A 106 -14.849 11.139 5.653 1.00 0.00 C ATOM 1605 C LYS A 106 -13.525 10.503 5.245 1.00 0.00 C ATOM 1606 O LYS A 106 -12.720 11.115 4.543 1.00 0.00 O ATOM 1607 CB LYS A 106 -14.668 11.933 6.949 1.00 0.00 C ATOM 1608 CG LYS A 106 -15.879 12.770 7.324 1.00 0.00 C ATOM 1609 CD LYS A 106 -15.476 14.032 8.069 1.00 0.00 C ATOM 1610 CE LYS A 106 -16.549 14.463 9.056 1.00 0.00 C ATOM 1611 NZ LYS A 106 -17.777 14.945 8.366 1.00 0.00 N ATOM 0 H LYS A 106 -16.140 9.944 6.792 1.00 0.00 H new ATOM 0 HA LYS A 106 -15.165 11.816 4.860 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -14.450 11.241 7.762 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.802 12.587 6.846 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -16.430 13.039 6.423 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -16.553 12.179 7.945 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -14.540 13.859 8.600 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -15.294 14.835 7.355 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -16.803 13.625 9.705 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -16.157 15.254 9.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -18.484 15.229 9.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -17.540 15.761 7.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -18.166 14.182 7.776 1.00 0.00 H new ATOM 1625 N VAL A 107 -13.305 9.269 5.688 1.00 0.00 N ATOM 1626 CA VAL A 107 -12.079 8.548 5.366 1.00 0.00 C ATOM 1627 C VAL A 107 -12.039 8.161 3.892 1.00 0.00 C ATOM 1628 O VAL A 107 -11.008 8.291 3.232 1.00 0.00 O ATOM 1629 CB VAL A 107 -11.934 7.277 6.224 1.00 0.00 C ATOM 1630 CG1 VAL A 107 -10.782 6.421 5.720 1.00 0.00 C ATOM 1631 CG2 VAL A 107 -11.737 7.641 7.688 1.00 0.00 C ATOM 0 H VAL A 107 -13.960 8.748 6.271 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.250 9.221 5.584 1.00 0.00 H new ATOM 0 HB VAL A 107 -12.852 6.696 6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -10.695 5.528 6.338 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -10.970 6.130 4.686 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -9.855 6.991 5.774 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -11.636 6.731 8.279 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -10.836 8.244 7.795 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -12.598 8.209 8.041 1.00 0.00 H new ATOM 1641 N LYS A 108 -13.169 7.685 3.381 1.00 0.00 N ATOM 1642 CA LYS A 108 -13.267 7.280 1.984 1.00 0.00 C ATOM 1643 C LYS A 108 -12.948 8.448 1.055 1.00 0.00 C ATOM 1644 O LYS A 108 -12.044 8.363 0.226 1.00 0.00 O ATOM 1645 CB LYS A 108 -14.668 6.744 1.683 1.00 0.00 C ATOM 1646 CG LYS A 108 -14.933 6.530 0.203 1.00 0.00 C ATOM 1647 CD LYS A 108 -16.010 5.483 -0.025 1.00 0.00 C ATOM 1648 CE LYS A 108 -16.446 5.440 -1.482 1.00 0.00 C ATOM 1649 NZ LYS A 108 -17.523 4.436 -1.709 1.00 0.00 N ATOM 0 H LYS A 108 -14.031 7.570 3.914 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.537 6.489 1.810 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -14.807 5.799 2.209 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.407 7.441 2.079 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -15.238 7.472 -0.253 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -14.012 6.220 -0.291 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -15.636 4.504 0.273 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -16.871 5.701 0.607 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -16.799 6.426 -1.785 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -15.588 5.201 -2.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -17.792 4.437 -2.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -17.178 3.491 -1.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -18.351 4.678 -1.128 1.00 0.00 H new ATOM 1663 N GLU A 109 -13.697 9.537 1.203 1.00 0.00 N ATOM 1664 CA GLU A 109 -13.492 10.721 0.377 1.00 0.00 C ATOM 1665 C GLU A 109 -12.020 11.123 0.357 1.00 0.00 C ATOM 1666 O GLU A 109 -11.495 11.547 -0.672 1.00 0.00 O ATOM 1667 CB GLU A 109 -14.343 11.883 0.893 1.00 0.00 C ATOM 1668 CG GLU A 109 -14.012 12.293 2.318 1.00 0.00 C ATOM 1669 CD GLU A 109 -14.525 13.679 2.661 1.00 0.00 C ATOM 1670 OE1 GLU A 109 -14.677 14.500 1.732 1.00 0.00 O ATOM 1671 OE2 GLU A 109 -14.773 13.942 3.856 1.00 0.00 O ATOM 0 H GLU A 109 -14.450 9.623 1.886 1.00 0.00 H new ATOM 0 HA GLU A 109 -13.798 10.480 -0.641 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -14.207 12.742 0.236 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -15.395 11.604 0.839 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -14.443 11.569 3.010 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -12.931 12.265 2.459 1.00 0.00 H new ATOM 1678 N PHE A 110 -11.361 10.987 1.503 1.00 0.00 N ATOM 1679 CA PHE A 110 -9.950 11.337 1.619 1.00 0.00 C ATOM 1680 C PHE A 110 -9.076 10.322 0.888 1.00 0.00 C ATOM 1681 O PHE A 110 -8.160 10.691 0.151 1.00 0.00 O ATOM 1682 CB PHE A 110 -9.541 11.413 3.091 1.00 0.00 C ATOM 1683 CG PHE A 110 -8.054 11.390 3.302 1.00 0.00 C ATOM 1684 CD1 PHE A 110 -7.332 10.222 3.117 1.00 0.00 C ATOM 1685 CD2 PHE A 110 -7.378 12.537 3.687 1.00 0.00 C ATOM 1686 CE1 PHE A 110 -5.964 10.198 3.309 1.00 0.00 C ATOM 1687 CE2 PHE A 110 -6.010 12.519 3.881 1.00 0.00 C ATOM 1688 CZ PHE A 110 -5.302 11.348 3.693 1.00 0.00 C ATOM 0 H PHE A 110 -11.781 10.637 2.364 1.00 0.00 H new ATOM 0 HA PHE A 110 -9.805 12.314 1.158 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -9.948 12.326 3.526 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -9.989 10.577 3.628 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.845 9.319 2.819 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.927 13.455 3.837 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -5.413 9.281 3.159 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -5.495 13.420 4.179 1.00 0.00 H new ATOM 0 HZ PHE A 110 -4.233 11.332 3.846 1.00 0.00 H new ATOM 1698 N LEU A 111 -9.364 9.042 1.098 1.00 0.00 N ATOM 1699 CA LEU A 111 -8.605 7.972 0.461 1.00 0.00 C ATOM 1700 C LEU A 111 -8.549 8.170 -1.051 1.00 0.00 C ATOM 1701 O LEU A 111 -7.562 7.819 -1.696 1.00 0.00 O ATOM 1702 CB LEU A 111 -9.228 6.614 0.786 1.00 0.00 C ATOM 1703 CG LEU A 111 -8.767 5.959 2.089 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -9.573 4.700 2.368 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -7.280 5.640 2.028 1.00 0.00 C ATOM 0 H LEU A 111 -10.118 8.720 1.705 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.588 8.000 0.851 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.311 6.734 0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.013 5.932 -0.036 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.935 6.661 2.906 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -9.231 4.248 3.299 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -10.629 4.956 2.455 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.438 3.993 1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -6.969 5.175 2.963 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -7.088 4.956 1.201 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -6.716 6.560 1.876 1.00 0.00 H new ATOM 1717 N GLN A 112 -9.616 8.735 -1.608 1.00 0.00 N ATOM 1718 CA GLN A 112 -9.687 8.981 -3.044 1.00 0.00 C ATOM 1719 C GLN A 112 -8.647 10.012 -3.472 1.00 0.00 C ATOM 1720 O GLN A 112 -8.004 9.863 -4.510 1.00 0.00 O ATOM 1721 CB GLN A 112 -11.087 9.459 -3.432 1.00 0.00 C ATOM 1722 CG GLN A 112 -12.192 8.494 -3.033 1.00 0.00 C ATOM 1723 CD GLN A 112 -13.536 8.870 -3.625 1.00 0.00 C ATOM 1724 OE1 GLN A 112 -14.019 9.987 -3.438 1.00 0.00 O ATOM 1725 NE2 GLN A 112 -14.149 7.936 -4.343 1.00 0.00 N ATOM 0 H GLN A 112 -10.442 9.031 -1.088 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.475 8.044 -3.559 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.274 10.426 -2.965 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -11.123 9.614 -4.510 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -11.925 7.488 -3.357 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -12.272 8.468 -1.946 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -13.712 7.023 -4.472 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -15.057 8.131 -4.765 1.00 0.00 H new ATOM 1734 N GLU A 113 -8.490 11.056 -2.665 1.00 0.00 N ATOM 1735 CA GLU A 113 -7.529 12.112 -2.962 1.00 0.00 C ATOM 1736 C GLU A 113 -6.104 11.566 -2.967 1.00 0.00 C ATOM 1737 O GLU A 113 -5.178 12.218 -3.450 1.00 0.00 O ATOM 1738 CB GLU A 113 -7.650 13.245 -1.941 1.00 0.00 C ATOM 1739 CG GLU A 113 -9.043 13.846 -1.860 1.00 0.00 C ATOM 1740 CD GLU A 113 -9.034 15.275 -1.352 1.00 0.00 C ATOM 1741 OE1 GLU A 113 -8.464 16.145 -2.044 1.00 0.00 O ATOM 1742 OE2 GLU A 113 -9.595 15.522 -0.265 1.00 0.00 O ATOM 0 H GLU A 113 -9.015 11.193 -1.801 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.753 12.503 -3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.368 12.868 -0.958 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.939 14.031 -2.197 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.504 13.818 -2.847 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.661 13.235 -1.202 1.00 0.00 H new ATOM 1749 N LYS A 114 -5.936 10.365 -2.424 1.00 0.00 N ATOM 1750 CA LYS A 114 -4.625 9.729 -2.364 1.00 0.00 C ATOM 1751 C LYS A 114 -4.529 8.586 -3.370 1.00 0.00 C ATOM 1752 O LYS A 114 -3.440 8.239 -3.827 1.00 0.00 O ATOM 1753 CB LYS A 114 -4.354 9.204 -0.952 1.00 0.00 C ATOM 1754 CG LYS A 114 -3.113 8.333 -0.855 1.00 0.00 C ATOM 1755 CD LYS A 114 -3.119 7.493 0.411 1.00 0.00 C ATOM 1756 CE LYS A 114 -2.454 8.223 1.567 1.00 0.00 C ATOM 1757 NZ LYS A 114 -2.297 7.346 2.760 1.00 0.00 N ATOM 0 H LYS A 114 -6.692 9.812 -2.019 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.874 10.477 -2.617 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.248 10.050 -0.273 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.217 8.631 -0.615 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.057 7.680 -1.726 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.223 8.963 -0.871 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -4.146 7.244 0.679 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.601 6.552 0.227 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.476 8.587 1.252 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -3.048 9.097 1.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -2.149 7.933 3.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -3.155 6.771 2.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -1.477 6.720 2.625 1.00 0.00 H new ATOM 1771 N TYR A 115 -5.675 8.006 -3.711 1.00 0.00 N ATOM 1772 CA TYR A 115 -5.719 6.902 -4.662 1.00 0.00 C ATOM 1773 C TYR A 115 -6.264 7.365 -6.009 1.00 0.00 C ATOM 1774 O TYR A 115 -5.636 7.161 -7.048 1.00 0.00 O ATOM 1775 CB TYR A 115 -6.582 5.764 -4.114 1.00 0.00 C ATOM 1776 CG TYR A 115 -5.901 4.953 -3.035 1.00 0.00 C ATOM 1777 CD1 TYR A 115 -4.593 4.512 -3.192 1.00 0.00 C ATOM 1778 CD2 TYR A 115 -6.565 4.628 -1.859 1.00 0.00 C ATOM 1779 CE1 TYR A 115 -3.967 3.769 -2.209 1.00 0.00 C ATOM 1780 CE2 TYR A 115 -5.947 3.887 -0.870 1.00 0.00 C ATOM 1781 CZ TYR A 115 -4.648 3.460 -1.050 1.00 0.00 C ATOM 1782 OH TYR A 115 -4.027 2.722 -0.068 1.00 0.00 O ATOM 0 H TYR A 115 -6.585 8.282 -3.343 1.00 0.00 H new ATOM 0 HA TYR A 115 -4.701 6.540 -4.807 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -7.507 6.181 -3.715 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -6.859 5.102 -4.934 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -4.056 4.754 -4.097 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.582 4.960 -1.715 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -2.950 3.432 -2.348 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -6.478 3.644 0.038 1.00 0.00 H new ATOM 0 HH TYR A 115 -4.643 2.593 0.683 1.00 0.00 H new ATOM 1792 N GLU A 116 -7.437 7.991 -5.983 1.00 0.00 N ATOM 1793 CA GLU A 116 -8.067 8.483 -7.202 1.00 0.00 C ATOM 1794 C GLU A 116 -7.314 9.690 -7.755 1.00 0.00 C ATOM 1795 O GLU A 116 -6.832 9.670 -8.887 1.00 0.00 O ATOM 1796 CB GLU A 116 -9.526 8.858 -6.933 1.00 0.00 C ATOM 1797 CG GLU A 116 -10.497 7.706 -7.130 1.00 0.00 C ATOM 1798 CD GLU A 116 -11.875 8.172 -7.559 1.00 0.00 C ATOM 1799 OE1 GLU A 116 -11.966 8.923 -8.552 1.00 0.00 O ATOM 1800 OE2 GLU A 116 -12.863 7.784 -6.900 1.00 0.00 O ATOM 0 H GLU A 116 -7.969 8.169 -5.131 1.00 0.00 H new ATOM 0 HA GLU A 116 -8.035 7.685 -7.944 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.615 9.226 -5.911 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.809 9.678 -7.593 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -10.098 7.024 -7.881 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.581 7.143 -6.200 1.00 0.00 H new ATOM 1807 N LYS A 117 -7.217 10.740 -6.946 1.00 0.00 N ATOM 1808 CA LYS A 117 -6.523 11.956 -7.352 1.00 0.00 C ATOM 1809 C LYS A 117 -5.011 11.783 -7.239 1.00 0.00 C ATOM 1810 O LYS A 117 -4.245 12.488 -7.896 1.00 0.00 O ATOM 1811 CB LYS A 117 -6.977 13.138 -6.491 1.00 0.00 C ATOM 1812 CG LYS A 117 -8.474 13.168 -6.241 1.00 0.00 C ATOM 1813 CD LYS A 117 -9.211 13.896 -7.352 1.00 0.00 C ATOM 1814 CE LYS A 117 -10.696 14.024 -7.046 1.00 0.00 C ATOM 1815 NZ LYS A 117 -11.424 12.747 -7.288 1.00 0.00 N ATOM 0 H LYS A 117 -7.610 10.773 -6.005 1.00 0.00 H new ATOM 0 HA LYS A 117 -6.772 12.156 -8.394 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -6.458 13.100 -5.533 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -6.680 14.067 -6.978 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -8.851 12.148 -6.161 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -8.675 13.658 -5.288 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -8.780 14.888 -7.487 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -9.077 13.359 -8.291 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -10.828 14.326 -6.007 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -11.128 14.811 -7.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -12.432 12.875 -7.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -11.319 12.471 -8.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -11.029 12.002 -6.680 1.00 0.00 H new ATOM 1829 N LYS A 118 -4.589 10.840 -6.404 1.00 0.00 N ATOM 1830 CA LYS A 118 -3.169 10.572 -6.207 1.00 0.00 C ATOM 1831 C LYS A 118 -2.414 11.854 -5.872 1.00 0.00 C ATOM 1832 O LYS A 118 -1.224 11.979 -6.162 1.00 0.00 O ATOM 1833 CB LYS A 118 -2.572 9.929 -7.461 1.00 0.00 C ATOM 1834 CG LYS A 118 -2.645 8.412 -7.460 1.00 0.00 C ATOM 1835 CD LYS A 118 -2.109 7.827 -8.757 1.00 0.00 C ATOM 1836 CE LYS A 118 -2.319 6.322 -8.818 1.00 0.00 C ATOM 1837 NZ LYS A 118 -2.253 5.809 -10.214 1.00 0.00 N ATOM 0 H LYS A 118 -5.210 10.248 -5.852 1.00 0.00 H new ATOM 0 HA LYS A 118 -3.068 9.883 -5.369 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -3.095 10.309 -8.338 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.530 10.234 -7.555 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -2.073 8.020 -6.619 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -3.679 8.097 -7.317 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.607 8.300 -9.604 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -1.046 8.051 -8.847 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -1.561 5.825 -8.212 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -3.288 6.073 -8.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -2.401 4.780 -10.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -2.992 6.264 -10.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -1.320 6.024 -10.619 1.00 0.00 H new ATOM 1851 N ARG A 119 -3.113 12.804 -5.259 1.00 0.00 N ATOM 1852 CA ARG A 119 -2.508 14.076 -4.885 1.00 0.00 C ATOM 1853 C ARG A 119 -1.056 13.883 -4.458 1.00 0.00 C ATOM 1854 O ARG A 119 -0.135 14.346 -5.131 1.00 0.00 O ATOM 1855 CB ARG A 119 -3.302 14.728 -3.751 1.00 0.00 C ATOM 1856 CG ARG A 119 -3.227 16.246 -3.749 1.00 0.00 C ATOM 1857 CD ARG A 119 -4.465 16.865 -3.119 1.00 0.00 C ATOM 1858 NE ARG A 119 -4.227 18.237 -2.678 1.00 0.00 N ATOM 1859 CZ ARG A 119 -4.179 19.276 -3.504 1.00 0.00 C ATOM 1860 NH1 ARG A 119 -4.352 19.100 -4.807 1.00 0.00 N ATOM 1861 NH2 ARG A 119 -3.959 20.494 -3.027 1.00 0.00 N ATOM 0 H ARG A 119 -4.099 12.716 -5.011 1.00 0.00 H new ATOM 0 HA ARG A 119 -2.528 14.730 -5.757 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.346 14.424 -3.829 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -2.931 14.353 -2.797 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -2.340 16.567 -3.202 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -3.119 16.607 -4.772 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -5.283 16.853 -3.839 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -4.780 16.260 -2.269 1.00 0.00 H new ATOM 0 HE ARG A 119 -4.090 18.406 -1.682 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -4.522 18.165 -5.177 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -4.315 19.900 -5.439 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -3.827 20.633 -2.025 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -3.922 21.291 -3.662 1.00 0.00 H new ATOM 1875 N TRP A 120 -0.861 13.198 -3.337 1.00 0.00 N ATOM 1876 CA TRP A 120 0.479 12.945 -2.821 1.00 0.00 C ATOM 1877 C TRP A 120 0.983 11.575 -3.263 1.00 0.00 C ATOM 1878 O TRP A 120 1.343 10.738 -2.434 1.00 0.00 O ATOM 1879 CB TRP A 120 0.485 13.035 -1.294 1.00 0.00 C ATOM 1880 CG TRP A 120 -0.432 14.093 -0.758 1.00 0.00 C ATOM 1881 CD1 TRP A 120 -0.126 15.404 -0.529 1.00 0.00 C ATOM 1882 CD2 TRP A 120 -1.804 13.927 -0.383 1.00 0.00 C ATOM 1883 NE1 TRP A 120 -1.225 16.064 -0.034 1.00 0.00 N ATOM 1884 CE2 TRP A 120 -2.267 15.180 0.064 1.00 0.00 C ATOM 1885 CE3 TRP A 120 -2.686 12.844 -0.383 1.00 0.00 C ATOM 1886 CZ2 TRP A 120 -3.573 15.376 0.507 1.00 0.00 C ATOM 1887 CZ3 TRP A 120 -3.981 13.040 0.057 1.00 0.00 C ATOM 1888 CH2 TRP A 120 -4.415 14.298 0.496 1.00 0.00 C ATOM 0 H TRP A 120 -1.613 12.808 -2.769 1.00 0.00 H new ATOM 0 HA TRP A 120 1.147 13.705 -3.226 1.00 0.00 H new ATOM 0 HB2 TRP A 120 0.196 12.069 -0.879 1.00 0.00 H new ATOM 0 HB3 TRP A 120 1.500 13.237 -0.953 1.00 0.00 H new ATOM 0 HD1 TRP A 120 0.838 15.856 -0.710 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -1.259 17.051 0.219 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -2.362 11.871 -0.721 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -3.909 16.345 0.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -4.671 12.209 0.063 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -5.434 14.419 0.832 1.00 0.00 H new ATOM 1899 N TYR A 121 1.007 11.353 -4.572 1.00 0.00 N ATOM 1900 CA TYR A 121 1.465 10.083 -5.124 1.00 0.00 C ATOM 1901 C TYR A 121 2.921 10.176 -5.569 1.00 0.00 C ATOM 1902 O TYR A 121 3.220 10.678 -6.652 1.00 0.00 O ATOM 1903 CB TYR A 121 0.584 9.668 -6.304 1.00 0.00 C ATOM 1904 CG TYR A 121 1.149 8.518 -7.106 1.00 0.00 C ATOM 1905 CD1 TYR A 121 1.598 7.362 -6.478 1.00 0.00 C ATOM 1906 CD2 TYR A 121 1.232 8.586 -8.491 1.00 0.00 C ATOM 1907 CE1 TYR A 121 2.116 6.309 -7.207 1.00 0.00 C ATOM 1908 CE2 TYR A 121 1.747 7.537 -9.228 1.00 0.00 C ATOM 1909 CZ TYR A 121 2.188 6.401 -8.582 1.00 0.00 C ATOM 1910 OH TYR A 121 2.701 5.353 -9.311 1.00 0.00 O ATOM 0 H TYR A 121 0.715 12.036 -5.271 1.00 0.00 H new ATOM 0 HA TYR A 121 1.391 9.328 -4.341 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -0.402 9.390 -5.931 1.00 0.00 H new ATOM 0 HB3 TYR A 121 0.445 10.526 -6.962 1.00 0.00 H new ATOM 0 HD1 TYR A 121 1.541 7.286 -5.402 1.00 0.00 H new ATOM 0 HD2 TYR A 121 0.888 9.474 -9.000 1.00 0.00 H new ATOM 0 HE1 TYR A 121 2.463 5.419 -6.704 1.00 0.00 H new ATOM 0 HE2 TYR A 121 1.804 7.606 -10.304 1.00 0.00 H new ATOM 0 HH TYR A 121 2.680 5.577 -10.265 1.00 0.00 H new ATOM 1920 N VAL A 122 3.823 9.687 -4.724 1.00 0.00 N ATOM 1921 CA VAL A 122 5.249 9.713 -5.030 1.00 0.00 C ATOM 1922 C VAL A 122 5.852 8.315 -4.956 1.00 0.00 C ATOM 1923 O VAL A 122 6.158 7.800 -3.880 1.00 0.00 O ATOM 1924 CB VAL A 122 6.013 10.641 -4.067 1.00 0.00 C ATOM 1925 CG1 VAL A 122 7.514 10.512 -4.279 1.00 0.00 C ATOM 1926 CG2 VAL A 122 5.562 12.083 -4.247 1.00 0.00 C ATOM 0 H VAL A 122 3.592 9.268 -3.823 1.00 0.00 H new ATOM 0 HA VAL A 122 5.348 10.095 -6.046 1.00 0.00 H new ATOM 0 HB VAL A 122 5.788 10.339 -3.044 1.00 0.00 H new ATOM 0 HG11 VAL A 122 8.037 11.175 -3.590 1.00 0.00 H new ATOM 0 HG12 VAL A 122 7.820 9.482 -4.095 1.00 0.00 H new ATOM 0 HG13 VAL A 122 7.762 10.786 -5.305 1.00 0.00 H new ATOM 0 HG21 VAL A 122 6.112 12.725 -3.559 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.756 12.400 -5.272 1.00 0.00 H new ATOM 0 HG23 VAL A 122 4.495 12.159 -4.039 1.00 0.00 H new ATOM 1936 N PRO A 123 6.028 7.684 -6.126 1.00 0.00 N ATOM 1937 CA PRO A 123 6.596 6.336 -6.222 1.00 0.00 C ATOM 1938 C PRO A 123 8.080 6.307 -5.871 1.00 0.00 C ATOM 1939 O PRO A 123 8.780 7.318 -5.944 1.00 0.00 O ATOM 1940 CB PRO A 123 6.387 5.965 -7.692 1.00 0.00 C ATOM 1941 CG PRO A 123 6.323 7.271 -8.406 1.00 0.00 C ATOM 1942 CD PRO A 123 5.685 8.237 -7.447 1.00 0.00 C ATOM 0 HA PRO A 123 6.124 5.645 -5.524 1.00 0.00 H new ATOM 0 HB2 PRO A 123 7.205 5.349 -8.065 1.00 0.00 H new ATOM 0 HB3 PRO A 123 5.469 5.393 -7.830 1.00 0.00 H new ATOM 0 HG2 PRO A 123 7.319 7.607 -8.694 1.00 0.00 H new ATOM 0 HG3 PRO A 123 5.738 7.187 -9.322 1.00 0.00 H new ATOM 0 HD2 PRO A 123 6.076 9.246 -7.574 1.00 0.00 H new ATOM 0 HD3 PRO A 123 4.606 8.293 -7.591 1.00 0.00 H new ATOM 1950 N PRO A 124 8.574 5.122 -5.483 1.00 0.00 N ATOM 1951 CA PRO A 124 9.981 4.933 -5.114 1.00 0.00 C ATOM 1952 C PRO A 124 10.914 5.039 -6.316 1.00 0.00 C ATOM 1953 O PRO A 124 11.989 5.630 -6.227 1.00 0.00 O ATOM 1954 CB PRO A 124 10.009 3.516 -4.538 1.00 0.00 C ATOM 1955 CG PRO A 124 8.855 2.824 -5.177 1.00 0.00 C ATOM 1956 CD PRO A 124 7.798 3.875 -5.373 1.00 0.00 C ATOM 0 HA PRO A 124 10.327 5.697 -4.418 1.00 0.00 H new ATOM 0 HB2 PRO A 124 10.949 3.014 -4.768 1.00 0.00 H new ATOM 0 HB3 PRO A 124 9.912 3.528 -3.452 1.00 0.00 H new ATOM 0 HG2 PRO A 124 9.145 2.380 -6.129 1.00 0.00 H new ATOM 0 HG3 PRO A 124 8.488 2.014 -4.546 1.00 0.00 H new ATOM 0 HD2 PRO A 124 7.207 3.689 -6.270 1.00 0.00 H new ATOM 0 HD3 PRO A 124 7.103 3.907 -4.534 1.00 0.00 H new ATOM 1964 N GLU A 125 10.494 4.462 -7.438 1.00 0.00 N ATOM 1965 CA GLU A 125 11.294 4.492 -8.657 1.00 0.00 C ATOM 1966 C GLU A 125 12.009 5.832 -8.805 1.00 0.00 C ATOM 1967 O GLU A 125 13.109 5.902 -9.354 1.00 0.00 O ATOM 1968 CB GLU A 125 10.410 4.235 -9.879 1.00 0.00 C ATOM 1969 CG GLU A 125 9.366 5.313 -10.113 1.00 0.00 C ATOM 1970 CD GLU A 125 8.140 4.791 -10.838 1.00 0.00 C ATOM 1971 OE1 GLU A 125 8.140 4.804 -12.087 1.00 0.00 O ATOM 1972 OE2 GLU A 125 7.182 4.370 -10.157 1.00 0.00 O ATOM 0 H GLU A 125 9.606 3.969 -7.528 1.00 0.00 H new ATOM 0 HA GLU A 125 12.045 3.705 -8.589 1.00 0.00 H new ATOM 0 HB2 GLU A 125 11.042 4.155 -10.764 1.00 0.00 H new ATOM 0 HB3 GLU A 125 9.908 3.275 -9.758 1.00 0.00 H new ATOM 0 HG2 GLU A 125 9.064 5.735 -9.155 1.00 0.00 H new ATOM 0 HG3 GLU A 125 9.809 6.123 -10.693 1.00 0.00 H new ATOM 1979 N GLN A 126 11.376 6.892 -8.314 1.00 0.00 N ATOM 1980 CA GLN A 126 11.951 8.230 -8.393 1.00 0.00 C ATOM 1981 C GLN A 126 12.631 8.608 -7.081 1.00 0.00 C ATOM 1982 O GLN A 126 13.730 9.163 -7.078 1.00 0.00 O ATOM 1983 CB GLN A 126 10.868 9.254 -8.734 1.00 0.00 C ATOM 1984 CG GLN A 126 10.164 8.980 -10.053 1.00 0.00 C ATOM 1985 CD GLN A 126 9.280 10.129 -10.493 1.00 0.00 C ATOM 1986 OE1 GLN A 126 9.032 11.064 -9.731 1.00 0.00 O ATOM 1987 NE2 GLN A 126 8.797 10.066 -11.729 1.00 0.00 N ATOM 0 H GLN A 126 10.465 6.851 -7.857 1.00 0.00 H new ATOM 0 HA GLN A 126 12.702 8.230 -9.183 1.00 0.00 H new ATOM 0 HB2 GLN A 126 10.128 9.268 -7.933 1.00 0.00 H new ATOM 0 HB3 GLN A 126 11.317 10.247 -8.771 1.00 0.00 H new ATOM 0 HG2 GLN A 126 10.909 8.784 -10.824 1.00 0.00 H new ATOM 0 HG3 GLN A 126 9.560 8.078 -9.957 1.00 0.00 H new ATOM 0 HE21 GLN A 126 9.028 9.273 -12.327 1.00 0.00 H new ATOM 0 HE22 GLN A 126 8.195 10.811 -12.080 1.00 0.00 H new