USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 643 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 72 ASN : amide:sc= -1.61 K(o=-1.6,f=-5.9!) USER MOD Set 1.2: A 82 THR OG1 : rot -130:sc=-0.00243 USER MOD Set 2.1: A 19 ASN : amide:sc= -5.04! K(o=-5.4!,f=-2.2) USER MOD Set 2.2: A 37 GLN : amide:sc= -0.384 K(o=-5.4,f=-2.2) USER MOD Set 3.1: A 3 GLN : amide:sc= 0 K(o=-0.22,f=0.52) USER MOD Set 3.2: A 49 THR OG1 : rot 180:sc= -0.22 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -108:sc= 0.0722 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -118:sc= -1.87 (180deg=-8!) USER MOD Single : A 8 CYS SG : rot -127:sc= 1.27 USER MOD Single : A 15 SER OG : rot 46:sc= 0.703 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.21) USER MOD Single : A 25 MET CE :methyl -165:sc= -0.899 (180deg=-2.03!) USER MOD Single : A 27 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0368) USER MOD Single : A 29 HIS : no HD1:sc= -0.0848 X(o=-0.085,f=0.011) USER MOD Single : A 30 ASN : amide:sc= -0.805 X(o=-0.81,f=-1) USER MOD Single : A 32 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0168) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 174:sc=-0.00194 (180deg=-0.0684) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 73:sc= 1.04 USER MOD Single : A 56 THR OG1 : rot -78:sc= 1.15 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.613 K(o=-0.61,f=-3.8!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.24 X(o=-0.24,f=-0.047) USER MOD Single : A 85 GLN : amide:sc= -0.377 X(o=-0.38,f=-0.09) USER MOD Single : A 88 THR OG1 : rot 72:sc= 1.3 USER MOD Single : A 91 GLN : amide:sc= -1.27 X(o=-1.3,f=-1.1) USER MOD Single : A 92 LYS NZ :NH3+ -170:sc=-0.00906 (180deg=-0.134) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.507 0.420 0.242 1.00 32.32 N ATOM 2 CA MET A 1 1.986 0.133 -1.105 1.00 72.20 C ATOM 3 C MET A 1 2.807 -1.153 -1.128 1.00 14.31 C ATOM 4 O MET A 1 3.316 -1.595 -0.098 1.00 3.41 O ATOM 5 CB MET A 1 2.827 1.298 -1.629 1.00 50.23 C ATOM 6 CG MET A 1 3.108 1.222 -3.121 1.00 62.12 C ATOM 7 SD MET A 1 3.861 2.729 -3.764 1.00 72.01 S ATOM 8 CE MET A 1 5.585 2.439 -3.375 1.00 70.24 C ATOM 0 H1 MET A 1 0.483 0.248 0.290 1.00 32.32 H new ATOM 0 H2 MET A 1 1.994 -0.197 0.923 1.00 32.32 H new ATOM 0 H3 MET A 1 1.702 1.415 0.475 1.00 32.32 H new ATOM 0 HA MET A 1 1.119 0.001 -1.752 1.00 72.20 H new ATOM 0 HB2 MET A 1 2.312 2.234 -1.412 1.00 50.23 H new ATOM 0 HB3 MET A 1 3.774 1.323 -1.090 1.00 50.23 H new ATOM 0 HG2 MET A 1 3.768 0.377 -3.320 1.00 62.12 H new ATOM 0 HG3 MET A 1 2.176 1.031 -3.653 1.00 62.12 H new ATOM 0 HE1 MET A 1 6.182 3.287 -3.712 1.00 70.24 H new ATOM 0 HE2 MET A 1 5.700 2.320 -2.298 1.00 70.24 H new ATOM 0 HE3 MET A 1 5.924 1.534 -3.878 1.00 70.24 H new ATOM 18 N LYS A 2 2.931 -1.749 -2.309 1.00 33.23 N ATOM 19 CA LYS A 2 3.690 -2.984 -2.467 1.00 2.23 C ATOM 20 C LYS A 2 4.647 -2.886 -3.651 1.00 20.14 C ATOM 21 O LYS A 2 4.279 -3.196 -4.784 1.00 4.35 O ATOM 22 CB LYS A 2 2.742 -4.169 -2.660 1.00 72.12 C ATOM 23 CG LYS A 2 2.386 -4.881 -1.367 1.00 23.15 C ATOM 24 CD LYS A 2 3.591 -5.589 -0.770 1.00 45.40 C ATOM 25 CE LYS A 2 4.115 -6.676 -1.696 1.00 54.45 C ATOM 26 NZ LYS A 2 5.211 -6.177 -2.573 1.00 31.55 N ATOM 0 H LYS A 2 2.515 -1.397 -3.171 1.00 33.23 H new ATOM 0 HA LYS A 2 4.275 -3.140 -1.561 1.00 2.23 H new ATOM 0 HB2 LYS A 2 1.826 -3.817 -3.135 1.00 72.12 H new ATOM 0 HB3 LYS A 2 3.201 -4.883 -3.343 1.00 72.12 H new ATOM 0 HG2 LYS A 2 1.994 -4.160 -0.650 1.00 23.15 H new ATOM 0 HG3 LYS A 2 1.594 -5.606 -1.556 1.00 23.15 H new ATOM 0 HD2 LYS A 2 4.381 -4.864 -0.575 1.00 45.40 H new ATOM 0 HD3 LYS A 2 3.318 -6.028 0.190 1.00 45.40 H new ATOM 0 HE2 LYS A 2 4.478 -7.515 -1.102 1.00 54.45 H new ATOM 0 HE3 LYS A 2 3.299 -7.052 -2.313 1.00 54.45 H new ATOM 0 HZ1 LYS A 2 4.919 -6.248 -3.569 1.00 31.55 H new ATOM 0 HZ2 LYS A 2 5.415 -5.184 -2.342 1.00 31.55 H new ATOM 0 HZ3 LYS A 2 6.065 -6.750 -2.421 1.00 31.55 H new ATOM 40 N GLN A 3 5.875 -2.456 -3.379 1.00 51.45 N ATOM 41 CA GLN A 3 6.884 -2.319 -4.423 1.00 53.43 C ATOM 42 C GLN A 3 7.421 -3.683 -4.843 1.00 41.33 C ATOM 43 O GLN A 3 7.946 -4.435 -4.022 1.00 1.51 O ATOM 44 CB GLN A 3 8.032 -1.432 -3.939 1.00 2.03 C ATOM 45 CG GLN A 3 9.104 -1.196 -4.990 1.00 62.14 C ATOM 46 CD GLN A 3 9.936 0.040 -4.709 1.00 71.31 C ATOM 47 OE1 GLN A 3 9.403 1.139 -4.556 1.00 50.21 O ATOM 48 NE2 GLN A 3 11.250 -0.134 -4.639 1.00 65.51 N ATOM 0 H GLN A 3 6.195 -2.197 -2.446 1.00 51.45 H new ATOM 0 HA GLN A 3 6.414 -1.852 -5.289 1.00 53.43 H new ATOM 0 HB2 GLN A 3 7.628 -0.471 -3.622 1.00 2.03 H new ATOM 0 HB3 GLN A 3 8.489 -1.890 -3.062 1.00 2.03 H new ATOM 0 HG2 GLN A 3 9.758 -2.066 -5.038 1.00 62.14 H new ATOM 0 HG3 GLN A 3 8.633 -1.097 -5.968 1.00 62.14 H new ATOM 0 HE21 GLN A 3 11.649 -1.063 -4.772 1.00 65.51 H new ATOM 0 HE22 GLN A 3 11.861 0.661 -4.452 1.00 65.51 H new ATOM 57 N VAL A 4 7.286 -3.997 -6.128 1.00 1.50 N ATOM 58 CA VAL A 4 7.759 -5.270 -6.658 1.00 33.14 C ATOM 59 C VAL A 4 8.750 -5.058 -7.797 1.00 15.24 C ATOM 60 O VAL A 4 8.590 -4.148 -8.611 1.00 45.42 O ATOM 61 CB VAL A 4 6.590 -6.136 -7.163 1.00 73.05 C ATOM 62 CG1 VAL A 4 7.106 -7.441 -7.749 1.00 22.41 C ATOM 63 CG2 VAL A 4 5.599 -6.401 -6.040 1.00 74.13 C ATOM 0 H VAL A 4 6.853 -3.387 -6.821 1.00 1.50 H new ATOM 0 HA VAL A 4 8.258 -5.788 -5.839 1.00 33.14 H new ATOM 0 HB VAL A 4 6.072 -5.591 -7.952 1.00 73.05 H new ATOM 0 HG11 VAL A 4 6.266 -8.039 -8.100 1.00 22.41 H new ATOM 0 HG12 VAL A 4 7.773 -7.226 -8.584 1.00 22.41 H new ATOM 0 HG13 VAL A 4 7.650 -7.994 -6.983 1.00 22.41 H new ATOM 0 HG21 VAL A 4 4.780 -7.014 -6.415 1.00 74.13 H new ATOM 0 HG22 VAL A 4 6.102 -6.925 -5.227 1.00 74.13 H new ATOM 0 HG23 VAL A 4 5.204 -5.454 -5.672 1.00 74.13 H new ATOM 73 N LEU A 5 9.773 -5.904 -7.849 1.00 15.44 N ATOM 74 CA LEU A 5 10.791 -5.810 -8.889 1.00 52.20 C ATOM 75 C LEU A 5 10.520 -6.811 -10.008 1.00 1.23 C ATOM 76 O LEU A 5 9.667 -7.688 -9.877 1.00 32.53 O ATOM 77 CB LEU A 5 12.179 -6.055 -8.295 1.00 40.40 C ATOM 78 CG LEU A 5 12.772 -4.906 -7.478 1.00 53.22 C ATOM 79 CD1 LEU A 5 13.942 -5.395 -6.640 1.00 20.35 C ATOM 80 CD2 LEU A 5 13.207 -3.770 -8.393 1.00 33.02 C ATOM 0 H LEU A 5 9.919 -6.663 -7.183 1.00 15.44 H new ATOM 0 HA LEU A 5 10.755 -4.805 -9.309 1.00 52.20 H new ATOM 0 HB2 LEU A 5 12.129 -6.939 -7.659 1.00 40.40 H new ATOM 0 HB3 LEU A 5 12.865 -6.287 -9.110 1.00 40.40 H new ATOM 0 HG LEU A 5 12.002 -4.529 -6.805 1.00 53.22 H new ATOM 0 HD11 LEU A 5 14.351 -4.564 -6.066 1.00 20.35 H new ATOM 0 HD12 LEU A 5 13.601 -6.174 -5.958 1.00 20.35 H new ATOM 0 HD13 LEU A 5 14.715 -5.799 -7.294 1.00 20.35 H new ATOM 0 HD21 LEU A 5 13.626 -2.961 -7.795 1.00 33.02 H new ATOM 0 HD22 LEU A 5 13.961 -4.134 -9.091 1.00 33.02 H new ATOM 0 HD23 LEU A 5 12.345 -3.401 -8.949 1.00 33.02 H new ATOM 92 N VAL A 6 11.254 -6.674 -11.108 1.00 20.15 N ATOM 93 CA VAL A 6 11.096 -7.568 -12.248 1.00 72.32 C ATOM 94 C VAL A 6 12.411 -7.738 -13.000 1.00 61.00 C ATOM 95 O VAL A 6 12.811 -6.870 -13.775 1.00 61.13 O ATOM 96 CB VAL A 6 10.023 -7.049 -13.224 1.00 31.12 C ATOM 97 CG1 VAL A 6 9.866 -8.000 -14.400 1.00 74.33 C ATOM 98 CG2 VAL A 6 8.697 -6.855 -12.503 1.00 62.52 C ATOM 0 H VAL A 6 11.964 -5.952 -11.233 1.00 20.15 H new ATOM 0 HA VAL A 6 10.780 -8.533 -11.852 1.00 72.32 H new ATOM 0 HB VAL A 6 10.345 -6.082 -13.611 1.00 31.12 H new ATOM 0 HG11 VAL A 6 9.104 -7.617 -15.079 1.00 74.33 H new ATOM 0 HG12 VAL A 6 10.815 -8.083 -14.930 1.00 74.33 H new ATOM 0 HG13 VAL A 6 9.566 -8.983 -14.036 1.00 74.33 H new ATOM 0 HG21 VAL A 6 7.950 -6.488 -13.207 1.00 62.52 H new ATOM 0 HG22 VAL A 6 8.367 -7.807 -12.087 1.00 62.52 H new ATOM 0 HG23 VAL A 6 8.823 -6.131 -11.698 1.00 62.52 H new ATOM 108 N ALA A 7 13.080 -8.863 -12.765 1.00 55.55 N ATOM 109 CA ALA A 7 14.349 -9.148 -13.422 1.00 40.24 C ATOM 110 C ALA A 7 14.254 -10.407 -14.277 1.00 22.43 C ATOM 111 O ALA A 7 14.346 -11.524 -13.765 1.00 71.12 O ATOM 112 CB ALA A 7 15.457 -9.290 -12.390 1.00 24.32 C ATOM 0 H ALA A 7 12.764 -9.591 -12.125 1.00 55.55 H new ATOM 0 HA ALA A 7 14.586 -8.312 -14.080 1.00 40.24 H new ATOM 0 HB1 ALA A 7 16.399 -9.503 -12.895 1.00 24.32 H new ATOM 0 HB2 ALA A 7 15.549 -8.362 -11.825 1.00 24.32 H new ATOM 0 HB3 ALA A 7 15.218 -10.107 -11.709 1.00 24.32 H new ATOM 118 N CYS A 8 14.070 -10.221 -15.579 1.00 14.22 N ATOM 119 CA CYS A 8 13.961 -11.343 -16.504 1.00 73.12 C ATOM 120 C CYS A 8 15.288 -12.086 -16.617 1.00 1.24 C ATOM 121 O CYS A 8 15.317 -13.307 -16.767 1.00 4.53 O ATOM 122 CB CYS A 8 13.518 -10.853 -17.884 1.00 4.45 C ATOM 123 SG CYS A 8 14.591 -9.582 -18.594 1.00 72.00 S ATOM 0 H CYS A 8 13.993 -9.304 -16.018 1.00 14.22 H new ATOM 0 HA CYS A 8 13.212 -12.032 -16.113 1.00 73.12 H new ATOM 0 HB2 CYS A 8 13.480 -11.703 -18.565 1.00 4.45 H new ATOM 0 HB3 CYS A 8 12.505 -10.458 -17.810 1.00 4.45 H new ATOM 0 HG CYS A 8 13.874 -8.558 -18.950 1.00 72.00 H new ATOM 196 N SER A 15 12.672 -7.077 -19.376 1.00 3.34 N ATOM 197 CA SER A 15 11.374 -7.529 -18.889 1.00 62.43 C ATOM 198 C SER A 15 10.291 -6.499 -19.194 1.00 34.52 C ATOM 199 O SER A 15 10.154 -5.498 -18.491 1.00 12.42 O ATOM 200 CB SER A 15 11.434 -7.794 -17.384 1.00 11.34 C ATOM 201 OG SER A 15 11.823 -6.629 -16.676 1.00 55.13 O ATOM 0 HA SER A 15 11.123 -8.457 -19.403 1.00 62.43 H new ATOM 0 HB2 SER A 15 10.459 -8.129 -17.031 1.00 11.34 H new ATOM 0 HB3 SER A 15 12.140 -8.599 -17.181 1.00 11.34 H new ATOM 0 HG SER A 15 11.319 -5.858 -17.012 1.00 55.13 H new ATOM 207 N THR A 16 9.521 -6.753 -20.248 1.00 21.22 N ATOM 208 CA THR A 16 8.450 -5.849 -20.648 1.00 23.23 C ATOM 209 C THR A 16 7.107 -6.570 -20.684 1.00 44.32 C ATOM 210 O THR A 16 6.123 -6.098 -20.115 1.00 32.30 O ATOM 211 CB THR A 16 8.725 -5.230 -22.031 1.00 3.52 C ATOM 212 OG1 THR A 16 10.117 -4.919 -22.161 1.00 21.14 O ATOM 213 CG2 THR A 16 7.898 -3.969 -22.233 1.00 43.21 C ATOM 0 H THR A 16 9.620 -7.578 -20.840 1.00 21.22 H new ATOM 0 HA THR A 16 8.413 -5.054 -19.903 1.00 23.23 H new ATOM 0 HB THR A 16 8.443 -5.957 -22.793 1.00 3.52 H new ATOM 0 HG1 THR A 16 10.284 -4.527 -23.044 1.00 21.14 H new ATOM 0 HG21 THR A 16 8.109 -3.549 -23.217 1.00 43.21 H new ATOM 0 HG22 THR A 16 6.838 -4.214 -22.162 1.00 43.21 H new ATOM 0 HG23 THR A 16 8.154 -3.239 -21.465 1.00 43.21 H new ATOM 221 N VAL A 17 7.074 -7.716 -21.357 1.00 11.31 N ATOM 222 CA VAL A 17 5.851 -8.503 -21.466 1.00 5.20 C ATOM 223 C VAL A 17 5.244 -8.768 -20.093 1.00 2.20 C ATOM 224 O VAL A 17 4.071 -8.480 -19.855 1.00 1.11 O ATOM 225 CB VAL A 17 6.111 -9.849 -22.169 1.00 2.53 C ATOM 226 CG1 VAL A 17 4.838 -10.679 -22.221 1.00 14.45 C ATOM 227 CG2 VAL A 17 6.666 -9.621 -23.567 1.00 1.33 C ATOM 0 H VAL A 17 7.880 -8.120 -21.835 1.00 11.31 H new ATOM 0 HA VAL A 17 5.151 -7.919 -22.063 1.00 5.20 H new ATOM 0 HB VAL A 17 6.853 -10.402 -21.594 1.00 2.53 H new ATOM 0 HG11 VAL A 17 5.041 -11.626 -22.721 1.00 14.45 H new ATOM 0 HG12 VAL A 17 4.488 -10.872 -21.207 1.00 14.45 H new ATOM 0 HG13 VAL A 17 4.071 -10.135 -22.772 1.00 14.45 H new ATOM 0 HG21 VAL A 17 6.844 -10.582 -24.049 1.00 1.33 H new ATOM 0 HG22 VAL A 17 5.949 -9.048 -24.154 1.00 1.33 H new ATOM 0 HG23 VAL A 17 7.604 -9.069 -23.501 1.00 1.33 H new ATOM 237 N VAL A 18 6.051 -9.318 -19.191 1.00 70.33 N ATOM 238 CA VAL A 18 5.594 -9.621 -17.840 1.00 60.13 C ATOM 239 C VAL A 18 4.939 -8.404 -17.196 1.00 23.41 C ATOM 240 O VAL A 18 3.740 -8.405 -16.922 1.00 50.41 O ATOM 241 CB VAL A 18 6.756 -10.098 -16.948 1.00 51.35 C ATOM 242 CG1 VAL A 18 6.267 -10.368 -15.534 1.00 30.52 C ATOM 243 CG2 VAL A 18 7.409 -11.337 -17.542 1.00 11.20 C ATOM 0 H VAL A 18 7.025 -9.563 -19.372 1.00 70.33 H new ATOM 0 HA VAL A 18 4.860 -10.422 -17.926 1.00 60.13 H new ATOM 0 HB VAL A 18 7.505 -9.308 -16.902 1.00 51.35 H new ATOM 0 HG11 VAL A 18 7.101 -10.704 -14.918 1.00 30.52 H new ATOM 0 HG12 VAL A 18 5.850 -9.453 -15.112 1.00 30.52 H new ATOM 0 HG13 VAL A 18 5.498 -11.141 -15.556 1.00 30.52 H new ATOM 0 HG21 VAL A 18 8.228 -11.660 -16.899 1.00 11.20 H new ATOM 0 HG22 VAL A 18 6.671 -12.136 -17.619 1.00 11.20 H new ATOM 0 HG23 VAL A 18 7.797 -11.104 -18.534 1.00 11.20 H new ATOM 253 N ASN A 19 5.736 -7.368 -16.957 1.00 11.31 N ATOM 254 CA ASN A 19 5.234 -6.143 -16.344 1.00 74.23 C ATOM 255 C ASN A 19 3.984 -5.647 -17.065 1.00 72.31 C ATOM 256 O ASN A 19 2.946 -5.419 -16.444 1.00 64.45 O ATOM 257 CB ASN A 19 6.312 -5.058 -16.365 1.00 63.30 C ATOM 258 CG ASN A 19 5.728 -3.661 -16.292 1.00 1.30 C ATOM 259 OD1 ASN A 19 6.076 -2.788 -17.088 1.00 20.23 O ATOM 260 ND2 ASN A 19 4.835 -3.442 -15.334 1.00 22.23 N ATOM 0 H ASN A 19 6.732 -7.352 -17.178 1.00 11.31 H new ATOM 0 HA ASN A 19 4.972 -6.365 -15.310 1.00 74.23 H new ATOM 0 HB2 ASN A 19 6.992 -5.209 -15.526 1.00 63.30 H new ATOM 0 HB3 ASN A 19 6.903 -5.155 -17.276 1.00 63.30 H new ATOM 0 HD21 ASN A 19 4.408 -2.521 -15.236 1.00 22.23 H new ATOM 0 HD22 ASN A 19 4.576 -4.195 -14.696 1.00 22.23 H new ATOM 267 N ASN A 20 4.091 -5.483 -18.380 1.00 25.13 N ATOM 268 CA ASN A 20 2.970 -5.014 -19.186 1.00 21.33 C ATOM 269 C ASN A 20 1.718 -5.842 -18.910 1.00 3.44 C ATOM 270 O ASN A 20 0.600 -5.331 -18.964 1.00 0.10 O ATOM 271 CB ASN A 20 3.321 -5.081 -20.673 1.00 63.04 C ATOM 272 CG ASN A 20 4.054 -3.842 -21.151 1.00 21.04 C ATOM 273 OD1 ASN A 20 3.609 -3.161 -22.074 1.00 54.03 O ATOM 274 ND2 ASN A 20 5.185 -3.545 -20.521 1.00 50.52 N ATOM 0 H ASN A 20 4.943 -5.668 -18.910 1.00 25.13 H new ATOM 0 HA ASN A 20 2.767 -3.978 -18.914 1.00 21.33 H new ATOM 0 HB2 ASN A 20 3.939 -5.960 -20.858 1.00 63.04 H new ATOM 0 HB3 ASN A 20 2.407 -5.206 -21.254 1.00 63.04 H new ATOM 0 HD21 ASN A 20 5.722 -2.723 -20.798 1.00 50.52 H new ATOM 0 HD22 ASN A 20 5.516 -4.139 -19.761 1.00 50.52 H new ATOM 281 N ALA A 21 1.915 -7.122 -18.613 1.00 4.12 N ATOM 282 CA ALA A 21 0.803 -8.019 -18.326 1.00 25.55 C ATOM 283 C ALA A 21 0.319 -7.852 -16.889 1.00 45.32 C ATOM 284 O ALA A 21 -0.881 -7.895 -16.620 1.00 73.01 O ATOM 285 CB ALA A 21 1.210 -9.463 -18.582 1.00 44.12 C ATOM 0 H ALA A 21 2.834 -7.561 -18.565 1.00 4.12 H new ATOM 0 HA ALA A 21 -0.020 -7.761 -18.992 1.00 25.55 H new ATOM 0 HB1 ALA A 21 0.370 -10.122 -18.364 1.00 44.12 H new ATOM 0 HB2 ALA A 21 1.501 -9.579 -19.626 1.00 44.12 H new ATOM 0 HB3 ALA A 21 2.052 -9.723 -17.940 1.00 44.12 H new ATOM 291 N ILE A 22 1.261 -7.661 -15.971 1.00 52.12 N ATOM 292 CA ILE A 22 0.929 -7.486 -14.563 1.00 22.34 C ATOM 293 C ILE A 22 0.211 -6.162 -14.327 1.00 33.11 C ATOM 294 O ILE A 22 -0.664 -6.064 -13.467 1.00 24.13 O ATOM 295 CB ILE A 22 2.188 -7.539 -13.677 1.00 62.10 C ATOM 296 CG1 ILE A 22 2.860 -8.909 -13.789 1.00 62.14 C ATOM 297 CG2 ILE A 22 1.831 -7.235 -12.230 1.00 32.53 C ATOM 298 CD1 ILE A 22 1.963 -10.057 -13.383 1.00 62.32 C ATOM 0 H ILE A 22 2.259 -7.624 -16.177 1.00 52.12 H new ATOM 0 HA ILE A 22 0.268 -8.308 -14.291 1.00 22.34 H new ATOM 0 HB ILE A 22 2.890 -6.781 -14.024 1.00 62.10 H new ATOM 0 HG12 ILE A 22 3.188 -9.061 -14.817 1.00 62.14 H new ATOM 0 HG13 ILE A 22 3.754 -8.918 -13.165 1.00 62.14 H new ATOM 0 HG21 ILE A 22 2.731 -7.276 -11.617 1.00 32.53 H new ATOM 0 HG22 ILE A 22 1.393 -6.239 -12.165 1.00 32.53 H new ATOM 0 HG23 ILE A 22 1.113 -7.972 -11.870 1.00 32.53 H new ATOM 0 HD11 ILE A 22 2.505 -10.997 -13.488 1.00 62.32 H new ATOM 0 HD12 ILE A 22 1.655 -9.929 -12.345 1.00 62.32 H new ATOM 0 HD13 ILE A 22 1.081 -10.074 -14.023 1.00 62.32 H new ATOM 310 N GLU A 23 0.585 -5.146 -15.099 1.00 21.44 N ATOM 311 CA GLU A 23 -0.025 -3.828 -14.974 1.00 1.21 C ATOM 312 C GLU A 23 -1.443 -3.829 -15.539 1.00 4.34 C ATOM 313 O GLU A 23 -2.316 -3.112 -15.051 1.00 22.02 O ATOM 314 CB GLU A 23 0.823 -2.779 -15.696 1.00 50.32 C ATOM 315 CG GLU A 23 0.920 -3.002 -17.196 1.00 30.00 C ATOM 316 CD GLU A 23 1.621 -1.864 -17.911 1.00 42.51 C ATOM 317 OE1 GLU A 23 1.371 -1.678 -19.120 1.00 54.41 O ATOM 318 OE2 GLU A 23 2.421 -1.158 -17.261 1.00 32.23 O ATOM 0 H GLU A 23 1.307 -5.211 -15.817 1.00 21.44 H new ATOM 0 HA GLU A 23 -0.075 -3.578 -13.914 1.00 1.21 H new ATOM 0 HB2 GLU A 23 0.400 -1.792 -15.511 1.00 50.32 H new ATOM 0 HB3 GLU A 23 1.827 -2.781 -15.271 1.00 50.32 H new ATOM 0 HG2 GLU A 23 1.456 -3.931 -17.387 1.00 30.00 H new ATOM 0 HG3 GLU A 23 -0.082 -3.122 -17.607 1.00 30.00 H new ATOM 325 N GLU A 24 -1.662 -4.638 -16.570 1.00 60.11 N ATOM 326 CA GLU A 24 -2.973 -4.731 -17.202 1.00 42.11 C ATOM 327 C GLU A 24 -3.984 -5.383 -16.264 1.00 71.50 C ATOM 328 O GLU A 24 -5.158 -5.016 -16.248 1.00 75.11 O ATOM 329 CB GLU A 24 -2.880 -5.529 -18.505 1.00 13.54 C ATOM 330 CG GLU A 24 -2.172 -4.785 -19.625 1.00 23.25 C ATOM 331 CD GLU A 24 -1.586 -5.719 -20.665 1.00 63.43 C ATOM 332 OE1 GLU A 24 -2.010 -6.893 -20.714 1.00 53.04 O ATOM 333 OE2 GLU A 24 -0.703 -5.278 -21.430 1.00 51.31 O ATOM 0 H GLU A 24 -0.949 -5.238 -16.985 1.00 60.11 H new ATOM 0 HA GLU A 24 -3.312 -3.720 -17.427 1.00 42.11 H new ATOM 0 HB2 GLU A 24 -2.354 -6.464 -18.312 1.00 13.54 H new ATOM 0 HB3 GLU A 24 -3.886 -5.791 -18.833 1.00 13.54 H new ATOM 0 HG2 GLU A 24 -2.876 -4.106 -20.107 1.00 23.25 H new ATOM 0 HG3 GLU A 24 -1.376 -4.172 -19.203 1.00 23.25 H new ATOM 340 N MET A 25 -3.519 -6.354 -15.484 1.00 44.13 N ATOM 341 CA MET A 25 -4.382 -7.058 -14.543 1.00 2.41 C ATOM 342 C MET A 25 -4.441 -6.324 -13.207 1.00 24.34 C ATOM 343 O MET A 25 -5.501 -6.221 -12.591 1.00 51.20 O ATOM 344 CB MET A 25 -3.883 -8.488 -14.331 1.00 65.24 C ATOM 345 CG MET A 25 -2.483 -8.563 -13.744 1.00 4.41 C ATOM 346 SD MET A 25 -1.753 -10.205 -13.894 1.00 2.52 S ATOM 347 CE MET A 25 -3.140 -11.236 -13.425 1.00 12.20 C ATOM 0 H MET A 25 -2.549 -6.671 -15.485 1.00 44.13 H new ATOM 0 HA MET A 25 -5.387 -7.091 -14.965 1.00 2.41 H new ATOM 0 HB2 MET A 25 -4.574 -9.011 -13.669 1.00 65.24 H new ATOM 0 HB3 MET A 25 -3.896 -9.014 -15.286 1.00 65.24 H new ATOM 0 HG2 MET A 25 -1.843 -7.838 -14.247 1.00 4.41 H new ATOM 0 HG3 MET A 25 -2.519 -8.280 -12.692 1.00 4.41 H new ATOM 0 HE1 MET A 25 -2.787 -12.245 -13.210 1.00 12.20 H new ATOM 0 HE2 MET A 25 -3.618 -10.821 -12.537 1.00 12.20 H new ATOM 0 HE3 MET A 25 -3.860 -11.270 -14.242 1.00 12.20 H new ATOM 357 N ALA A 26 -3.295 -5.818 -12.764 1.00 5.42 N ATOM 358 CA ALA A 26 -3.217 -5.093 -11.502 1.00 2.25 C ATOM 359 C ALA A 26 -4.246 -3.969 -11.450 1.00 11.14 C ATOM 360 O ALA A 26 -4.939 -3.793 -10.447 1.00 41.12 O ATOM 361 CB ALA A 26 -1.815 -4.537 -11.297 1.00 71.43 C ATOM 0 H ALA A 26 -2.408 -5.897 -13.261 1.00 5.42 H new ATOM 0 HA ALA A 26 -3.440 -5.792 -10.696 1.00 2.25 H new ATOM 0 HB1 ALA A 26 -1.772 -3.998 -10.350 1.00 71.43 H new ATOM 0 HB2 ALA A 26 -1.097 -5.357 -11.281 1.00 71.43 H new ATOM 0 HB3 ALA A 26 -1.570 -3.857 -12.113 1.00 71.43 H new ATOM 367 N LYS A 27 -4.341 -3.209 -12.536 1.00 30.33 N ATOM 368 CA LYS A 27 -5.286 -2.102 -12.615 1.00 51.21 C ATOM 369 C LYS A 27 -6.716 -2.591 -12.408 1.00 0.33 C ATOM 370 O LYS A 27 -7.528 -1.912 -11.779 1.00 62.43 O ATOM 371 CB LYS A 27 -5.167 -1.399 -13.970 1.00 34.35 C ATOM 372 CG LYS A 27 -5.371 -2.326 -15.155 1.00 62.34 C ATOM 373 CD LYS A 27 -5.282 -1.574 -16.473 1.00 34.23 C ATOM 374 CE LYS A 27 -6.152 -2.218 -17.541 1.00 54.25 C ATOM 375 NZ LYS A 27 -7.598 -1.929 -17.328 1.00 63.50 N ATOM 0 H LYS A 27 -3.774 -3.340 -13.374 1.00 30.33 H new ATOM 0 HA LYS A 27 -5.045 -1.394 -11.822 1.00 51.21 H new ATOM 0 HB2 LYS A 27 -5.901 -0.594 -14.018 1.00 34.35 H new ATOM 0 HB3 LYS A 27 -4.182 -0.938 -14.045 1.00 34.35 H new ATOM 0 HG2 LYS A 27 -4.620 -3.116 -15.134 1.00 62.34 H new ATOM 0 HG3 LYS A 27 -6.344 -2.810 -15.076 1.00 62.34 H new ATOM 0 HD2 LYS A 27 -5.592 -0.540 -16.325 1.00 34.23 H new ATOM 0 HD3 LYS A 27 -4.246 -1.551 -16.811 1.00 34.23 H new ATOM 0 HE2 LYS A 27 -5.850 -1.854 -18.523 1.00 54.25 H new ATOM 0 HE3 LYS A 27 -5.993 -3.296 -17.537 1.00 54.25 H new ATOM 0 HZ1 LYS A 27 -8.140 -2.237 -18.160 1.00 63.50 H new ATOM 0 HZ2 LYS A 27 -7.934 -2.440 -16.487 1.00 63.50 H new ATOM 0 HZ3 LYS A 27 -7.731 -0.907 -17.188 1.00 63.50 H new ATOM 389 N GLU A 28 -7.016 -3.772 -12.939 1.00 3.02 N ATOM 390 CA GLU A 28 -8.348 -4.351 -12.810 1.00 40.43 C ATOM 391 C GLU A 28 -8.664 -4.671 -11.352 1.00 43.11 C ATOM 392 O GLU A 28 -9.779 -4.444 -10.882 1.00 74.55 O ATOM 393 CB GLU A 28 -8.461 -5.619 -13.659 1.00 14.04 C ATOM 394 CG GLU A 28 -9.861 -5.871 -14.193 1.00 52.52 C ATOM 395 CD GLU A 28 -10.030 -7.271 -14.751 1.00 1.51 C ATOM 396 OE1 GLU A 28 -10.443 -8.168 -13.988 1.00 32.05 O ATOM 397 OE2 GLU A 28 -9.748 -7.468 -15.952 1.00 34.04 O ATOM 0 H GLU A 28 -6.355 -4.346 -13.462 1.00 3.02 H new ATOM 0 HA GLU A 28 -9.071 -3.618 -13.167 1.00 40.43 H new ATOM 0 HB2 GLU A 28 -7.769 -5.547 -14.498 1.00 14.04 H new ATOM 0 HB3 GLU A 28 -8.150 -6.475 -13.061 1.00 14.04 H new ATOM 0 HG2 GLU A 28 -10.585 -5.713 -13.393 1.00 52.52 H new ATOM 0 HG3 GLU A 28 -10.084 -5.144 -14.973 1.00 52.52 H new ATOM 404 N HIS A 29 -7.673 -5.200 -10.641 1.00 12.13 N ATOM 405 CA HIS A 29 -7.844 -5.552 -9.236 1.00 14.14 C ATOM 406 C HIS A 29 -7.866 -4.302 -8.361 1.00 53.21 C ATOM 407 O HIS A 29 -8.469 -4.294 -7.289 1.00 2.44 O ATOM 408 CB HIS A 29 -6.723 -6.486 -8.782 1.00 25.33 C ATOM 409 CG HIS A 29 -6.800 -7.854 -9.388 1.00 42.41 C ATOM 410 ND1 HIS A 29 -7.648 -8.837 -8.923 1.00 5.54 N ATOM 411 CD2 HIS A 29 -6.130 -8.399 -10.430 1.00 60.11 C ATOM 412 CE1 HIS A 29 -7.495 -9.928 -9.651 1.00 25.01 C ATOM 413 NE2 HIS A 29 -6.580 -9.689 -10.573 1.00 44.20 N ATOM 0 H HIS A 29 -6.744 -5.394 -11.015 1.00 12.13 H new ATOM 0 HA HIS A 29 -8.800 -6.065 -9.130 1.00 14.14 H new ATOM 0 HB2 HIS A 29 -5.763 -6.038 -9.037 1.00 25.33 H new ATOM 0 HB3 HIS A 29 -6.754 -6.576 -7.696 1.00 25.33 H new ATOM 0 HD2 HIS A 29 -5.381 -7.911 -11.036 1.00 60.11 H new ATOM 0 HE1 HIS A 29 -8.028 -10.858 -9.516 1.00 25.01 H new ATOM 0 HE2 HIS A 29 -6.260 -10.354 -11.277 1.00 44.20 H new ATOM 421 N ASN A 30 -7.204 -3.248 -8.827 1.00 52.22 N ATOM 422 CA ASN A 30 -7.147 -1.993 -8.087 1.00 2.32 C ATOM 423 C ASN A 30 -6.382 -2.168 -6.778 1.00 54.31 C ATOM 424 O ASN A 30 -6.790 -1.654 -5.736 1.00 51.30 O ATOM 425 CB ASN A 30 -8.560 -1.480 -7.800 1.00 63.25 C ATOM 426 CG ASN A 30 -9.516 -1.749 -8.947 1.00 24.44 C ATOM 427 OD1 ASN A 30 -9.413 -1.140 -10.011 1.00 61.14 O ATOM 428 ND2 ASN A 30 -10.452 -2.666 -8.733 1.00 14.14 N ATOM 0 H ASN A 30 -6.700 -3.238 -9.714 1.00 52.22 H new ATOM 0 HA ASN A 30 -6.621 -1.262 -8.701 1.00 2.32 H new ATOM 0 HB2 ASN A 30 -8.939 -1.955 -6.895 1.00 63.25 H new ATOM 0 HB3 ASN A 30 -8.522 -0.408 -7.606 1.00 63.25 H new ATOM 0 HD21 ASN A 30 -11.123 -2.890 -9.467 1.00 14.14 H new ATOM 0 HD22 ASN A 30 -10.500 -3.146 -7.834 1.00 14.14 H new ATOM 435 N ILE A 31 -5.272 -2.895 -6.840 1.00 75.54 N ATOM 436 CA ILE A 31 -4.450 -3.137 -5.661 1.00 54.41 C ATOM 437 C ILE A 31 -3.269 -2.174 -5.608 1.00 40.14 C ATOM 438 O ILE A 31 -2.768 -1.731 -6.642 1.00 51.51 O ATOM 439 CB ILE A 31 -3.922 -4.583 -5.629 1.00 44.35 C ATOM 440 CG1 ILE A 31 -5.067 -5.573 -5.849 1.00 14.34 C ATOM 441 CG2 ILE A 31 -3.219 -4.861 -4.309 1.00 51.01 C ATOM 442 CD1 ILE A 31 -4.605 -7.001 -6.035 1.00 43.34 C ATOM 0 H ILE A 31 -4.921 -3.327 -7.695 1.00 75.54 H new ATOM 0 HA ILE A 31 -5.088 -2.974 -4.792 1.00 54.41 H new ATOM 0 HB ILE A 31 -3.200 -4.708 -6.436 1.00 44.35 H new ATOM 0 HG12 ILE A 31 -5.745 -5.527 -4.996 1.00 14.34 H new ATOM 0 HG13 ILE A 31 -5.637 -5.267 -6.726 1.00 14.34 H new ATOM 0 HG21 ILE A 31 -2.851 -5.887 -4.302 1.00 51.01 H new ATOM 0 HG22 ILE A 31 -2.381 -4.174 -4.192 1.00 51.01 H new ATOM 0 HG23 ILE A 31 -3.921 -4.721 -3.487 1.00 51.01 H new ATOM 0 HD11 ILE A 31 -5.470 -7.647 -6.186 1.00 43.34 H new ATOM 0 HD12 ILE A 31 -3.951 -7.061 -6.905 1.00 43.34 H new ATOM 0 HD13 ILE A 31 -4.060 -7.326 -5.148 1.00 43.34 H new ATOM 454 N LYS A 32 -2.826 -1.855 -4.397 1.00 33.12 N ATOM 455 CA LYS A 32 -1.701 -0.947 -4.207 1.00 71.42 C ATOM 456 C LYS A 32 -0.379 -1.653 -4.491 1.00 21.01 C ATOM 457 O LYS A 32 0.477 -1.766 -3.613 1.00 50.22 O ATOM 458 CB LYS A 32 -1.700 -0.394 -2.780 1.00 73.42 C ATOM 459 CG LYS A 32 -2.980 0.336 -2.410 1.00 63.31 C ATOM 460 CD LYS A 32 -3.197 0.353 -0.906 1.00 70.24 C ATOM 461 CE LYS A 32 -4.629 0.724 -0.554 1.00 54.23 C ATOM 462 NZ LYS A 32 -4.986 2.085 -1.044 1.00 22.25 N ATOM 0 H LYS A 32 -3.229 -2.212 -3.531 1.00 33.12 H new ATOM 0 HA LYS A 32 -1.810 -0.121 -4.910 1.00 71.42 H new ATOM 0 HB2 LYS A 32 -1.545 -1.216 -2.081 1.00 73.42 H new ATOM 0 HB3 LYS A 32 -0.857 0.287 -2.664 1.00 73.42 H new ATOM 0 HG2 LYS A 32 -2.938 1.359 -2.784 1.00 63.31 H new ATOM 0 HG3 LYS A 32 -3.828 -0.146 -2.896 1.00 63.31 H new ATOM 0 HD2 LYS A 32 -2.962 -0.628 -0.492 1.00 70.24 H new ATOM 0 HD3 LYS A 32 -2.512 1.065 -0.446 1.00 70.24 H new ATOM 0 HE2 LYS A 32 -5.311 -0.008 -0.987 1.00 54.23 H new ATOM 0 HE3 LYS A 32 -4.760 0.681 0.527 1.00 54.23 H new ATOM 0 HZ1 LYS A 32 -5.933 2.341 -0.698 1.00 22.25 H new ATOM 0 HZ2 LYS A 32 -4.290 2.774 -0.693 1.00 22.25 H new ATOM 0 HZ3 LYS A 32 -4.985 2.091 -2.084 1.00 22.25 H new ATOM 476 N VAL A 33 -0.218 -2.125 -5.723 1.00 22.50 N ATOM 477 CA VAL A 33 1.001 -2.818 -6.123 1.00 44.30 C ATOM 478 C VAL A 33 1.636 -2.154 -7.340 1.00 3.13 C ATOM 479 O VAL A 33 1.010 -2.036 -8.393 1.00 13.32 O ATOM 480 CB VAL A 33 0.726 -4.299 -6.445 1.00 41.41 C ATOM 481 CG1 VAL A 33 -0.367 -4.422 -7.496 1.00 22.42 C ATOM 482 CG2 VAL A 33 2.001 -4.989 -6.906 1.00 32.01 C ATOM 0 H VAL A 33 -0.916 -2.040 -6.461 1.00 22.50 H new ATOM 0 HA VAL A 33 1.689 -2.760 -5.280 1.00 44.30 H new ATOM 0 HB VAL A 33 0.381 -4.793 -5.537 1.00 41.41 H new ATOM 0 HG11 VAL A 33 -0.548 -5.475 -7.711 1.00 22.42 H new ATOM 0 HG12 VAL A 33 -1.284 -3.965 -7.123 1.00 22.42 H new ATOM 0 HG13 VAL A 33 -0.054 -3.914 -8.408 1.00 22.42 H new ATOM 0 HG21 VAL A 33 1.789 -6.035 -7.129 1.00 32.01 H new ATOM 0 HG22 VAL A 33 2.378 -4.496 -7.802 1.00 32.01 H new ATOM 0 HG23 VAL A 33 2.751 -4.932 -6.117 1.00 32.01 H new ATOM 492 N ASP A 34 2.884 -1.723 -7.188 1.00 15.53 N ATOM 493 CA ASP A 34 3.605 -1.071 -8.275 1.00 22.41 C ATOM 494 C ASP A 34 4.689 -1.988 -8.834 1.00 34.42 C ATOM 495 O ASP A 34 5.452 -2.593 -8.081 1.00 24.41 O ATOM 496 CB ASP A 34 4.229 0.238 -7.789 1.00 55.23 C ATOM 497 CG ASP A 34 3.247 1.393 -7.820 1.00 33.03 C ATOM 498 OD1 ASP A 34 3.282 2.176 -8.792 1.00 73.50 O ATOM 499 OD2 ASP A 34 2.444 1.515 -6.871 1.00 32.33 O ATOM 0 H ASP A 34 3.417 -1.813 -6.323 1.00 15.53 H new ATOM 0 HA ASP A 34 2.893 -0.852 -9.070 1.00 22.41 H new ATOM 0 HB2 ASP A 34 4.598 0.106 -6.772 1.00 55.23 H new ATOM 0 HB3 ASP A 34 5.090 0.480 -8.412 1.00 55.23 H new ATOM 504 N ILE A 35 4.748 -2.087 -10.158 1.00 2.25 N ATOM 505 CA ILE A 35 5.738 -2.930 -10.817 1.00 11.15 C ATOM 506 C ILE A 35 7.025 -2.158 -11.087 1.00 20.23 C ATOM 507 O ILE A 35 6.996 -0.961 -11.372 1.00 2.10 O ATOM 508 CB ILE A 35 5.202 -3.493 -12.146 1.00 32.52 C ATOM 509 CG1 ILE A 35 3.896 -4.255 -11.912 1.00 73.51 C ATOM 510 CG2 ILE A 35 6.240 -4.397 -12.795 1.00 14.10 C ATOM 511 CD1 ILE A 35 2.776 -3.834 -12.838 1.00 63.11 C ATOM 0 H ILE A 35 4.122 -1.594 -10.795 1.00 2.25 H new ATOM 0 HA ILE A 35 5.949 -3.758 -10.140 1.00 11.15 H new ATOM 0 HB ILE A 35 5.000 -2.661 -12.821 1.00 32.52 H new ATOM 0 HG12 ILE A 35 4.080 -5.322 -12.039 1.00 73.51 H new ATOM 0 HG13 ILE A 35 3.578 -4.107 -10.880 1.00 73.51 H new ATOM 0 HG21 ILE A 35 5.847 -4.787 -13.734 1.00 14.10 H new ATOM 0 HG22 ILE A 35 7.148 -3.826 -12.991 1.00 14.10 H new ATOM 0 HG23 ILE A 35 6.470 -5.226 -12.125 1.00 14.10 H new ATOM 0 HD11 ILE A 35 1.882 -4.416 -12.615 1.00 63.11 H new ATOM 0 HD12 ILE A 35 2.565 -2.774 -12.695 1.00 63.11 H new ATOM 0 HD13 ILE A 35 3.074 -4.008 -13.872 1.00 63.11 H new ATOM 523 N LYS A 36 8.154 -2.852 -10.997 1.00 24.32 N ATOM 524 CA LYS A 36 9.454 -2.235 -11.234 1.00 53.34 C ATOM 525 C LYS A 36 10.318 -3.114 -12.132 1.00 25.45 C ATOM 526 O LYS A 36 10.207 -4.340 -12.107 1.00 54.31 O ATOM 527 CB LYS A 36 10.171 -1.981 -9.907 1.00 1.33 C ATOM 528 CG LYS A 36 11.059 -0.748 -9.921 1.00 73.30 C ATOM 529 CD LYS A 36 10.592 0.287 -8.911 1.00 22.40 C ATOM 530 CE LYS A 36 11.672 1.321 -8.634 1.00 0.40 C ATOM 531 NZ LYS A 36 11.750 2.344 -9.714 1.00 24.03 N ATOM 0 H LYS A 36 8.195 -3.844 -10.761 1.00 24.32 H new ATOM 0 HA LYS A 36 9.290 -1.283 -11.738 1.00 53.34 H new ATOM 0 HB2 LYS A 36 9.428 -1.874 -9.117 1.00 1.33 H new ATOM 0 HB3 LYS A 36 10.777 -2.852 -9.659 1.00 1.33 H new ATOM 0 HG2 LYS A 36 12.087 -1.036 -9.699 1.00 73.30 H new ATOM 0 HG3 LYS A 36 11.059 -0.310 -10.919 1.00 73.30 H new ATOM 0 HD2 LYS A 36 9.698 0.785 -9.285 1.00 22.40 H new ATOM 0 HD3 LYS A 36 10.315 -0.210 -7.981 1.00 22.40 H new ATOM 0 HE2 LYS A 36 11.469 1.812 -7.682 1.00 0.40 H new ATOM 0 HE3 LYS A 36 12.636 0.822 -8.536 1.00 0.40 H new ATOM 0 HZ1 LYS A 36 12.498 3.031 -9.488 1.00 24.03 H new ATOM 0 HZ2 LYS A 36 11.969 1.879 -10.618 1.00 24.03 H new ATOM 0 HZ3 LYS A 36 10.838 2.838 -9.791 1.00 24.03 H new ATOM 545 N GLN A 37 11.180 -2.481 -12.920 1.00 44.04 N ATOM 546 CA GLN A 37 12.064 -3.207 -13.824 1.00 63.52 C ATOM 547 C GLN A 37 13.525 -2.872 -13.543 1.00 63.21 C ATOM 548 O GLN A 37 13.933 -1.713 -13.627 1.00 23.41 O ATOM 549 CB GLN A 37 11.724 -2.878 -15.279 1.00 31.13 C ATOM 550 CG GLN A 37 10.244 -3.006 -15.601 1.00 52.10 C ATOM 551 CD GLN A 37 9.910 -2.539 -17.004 1.00 14.31 C ATOM 552 OE1 GLN A 37 10.722 -2.660 -17.921 1.00 70.32 O ATOM 553 NE2 GLN A 37 8.708 -2.000 -17.178 1.00 63.35 N ATOM 0 H GLN A 37 11.285 -1.467 -12.951 1.00 44.04 H new ATOM 0 HA GLN A 37 11.916 -4.274 -13.656 1.00 63.52 H new ATOM 0 HB2 GLN A 37 12.049 -1.861 -15.498 1.00 31.13 H new ATOM 0 HB3 GLN A 37 12.289 -3.541 -15.934 1.00 31.13 H new ATOM 0 HG2 GLN A 37 9.940 -4.046 -15.486 1.00 52.10 H new ATOM 0 HG3 GLN A 37 9.668 -2.424 -14.882 1.00 52.10 H new ATOM 0 HE21 GLN A 37 8.066 -1.919 -16.389 1.00 63.35 H new ATOM 0 HE22 GLN A 37 8.427 -1.667 -18.100 1.00 63.35 H new ATOM 562 N ILE A 38 14.308 -3.893 -13.209 1.00 53.12 N ATOM 563 CA ILE A 38 15.723 -3.706 -12.917 1.00 3.34 C ATOM 564 C ILE A 38 16.548 -4.889 -13.412 1.00 1.13 C ATOM 565 O ILE A 38 16.001 -5.908 -13.835 1.00 5.25 O ATOM 566 CB ILE A 38 15.966 -3.521 -11.407 1.00 45.20 C ATOM 567 CG1 ILE A 38 15.938 -4.874 -10.694 1.00 73.31 C ATOM 568 CG2 ILE A 38 14.927 -2.582 -10.814 1.00 52.42 C ATOM 569 CD1 ILE A 38 14.641 -5.629 -10.883 1.00 35.22 C ATOM 0 H ILE A 38 13.986 -4.858 -13.134 1.00 53.12 H new ATOM 0 HA ILE A 38 16.037 -2.803 -13.441 1.00 3.34 H new ATOM 0 HB ILE A 38 16.951 -3.077 -11.265 1.00 45.20 H new ATOM 0 HG12 ILE A 38 16.762 -5.486 -11.061 1.00 73.31 H new ATOM 0 HG13 ILE A 38 16.106 -4.718 -9.628 1.00 73.31 H new ATOM 0 HG21 ILE A 38 15.112 -2.462 -9.747 1.00 52.42 H new ATOM 0 HG22 ILE A 38 14.991 -1.611 -11.305 1.00 52.42 H new ATOM 0 HG23 ILE A 38 13.931 -2.999 -10.965 1.00 52.42 H new ATOM 0 HD11 ILE A 38 14.692 -6.579 -10.350 1.00 35.22 H new ATOM 0 HD12 ILE A 38 13.815 -5.037 -10.490 1.00 35.22 H new ATOM 0 HD13 ILE A 38 14.481 -5.817 -11.945 1.00 35.22 H new ATOM 581 N LYS A 39 17.868 -4.748 -13.355 1.00 41.20 N ATOM 582 CA LYS A 39 18.771 -5.805 -13.794 1.00 73.44 C ATOM 583 C LYS A 39 18.972 -6.841 -12.693 1.00 22.20 C ATOM 584 O LYS A 39 18.700 -6.576 -11.522 1.00 4.14 O ATOM 585 CB LYS A 39 20.121 -5.214 -14.206 1.00 13.31 C ATOM 586 CG LYS A 39 20.246 -4.965 -15.699 1.00 62.41 C ATOM 587 CD LYS A 39 19.697 -3.602 -16.086 1.00 21.51 C ATOM 588 CE LYS A 39 19.987 -3.278 -17.543 1.00 72.04 C ATOM 589 NZ LYS A 39 19.357 -4.262 -18.467 1.00 34.05 N ATOM 0 H LYS A 39 18.337 -3.911 -13.009 1.00 41.20 H new ATOM 0 HA LYS A 39 18.320 -6.298 -14.655 1.00 73.44 H new ATOM 0 HB2 LYS A 39 20.274 -4.274 -13.675 1.00 13.31 H new ATOM 0 HB3 LYS A 39 20.916 -5.891 -13.891 1.00 13.31 H new ATOM 0 HG2 LYS A 39 21.293 -5.033 -15.994 1.00 62.41 H new ATOM 0 HG3 LYS A 39 19.710 -5.742 -16.244 1.00 62.41 H new ATOM 0 HD2 LYS A 39 18.621 -3.580 -15.914 1.00 21.51 H new ATOM 0 HD3 LYS A 39 20.137 -2.836 -15.447 1.00 21.51 H new ATOM 0 HE2 LYS A 39 19.620 -2.278 -17.773 1.00 72.04 H new ATOM 0 HE3 LYS A 39 21.065 -3.267 -17.705 1.00 72.04 H new ATOM 0 HZ1 LYS A 39 19.492 -3.951 -19.450 1.00 34.05 H new ATOM 0 HZ2 LYS A 39 19.799 -5.194 -18.335 1.00 34.05 H new ATOM 0 HZ3 LYS A 39 18.340 -4.329 -18.262 1.00 34.05 H new ATOM 603 N ILE A 40 19.451 -8.020 -13.076 1.00 50.10 N ATOM 604 CA ILE A 40 19.691 -9.094 -12.120 1.00 1.40 C ATOM 605 C ILE A 40 20.587 -8.624 -10.979 1.00 12.41 C ATOM 606 O ILE A 40 20.404 -9.020 -9.827 1.00 44.32 O ATOM 607 CB ILE A 40 20.340 -10.316 -12.797 1.00 14.42 C ATOM 608 CG1 ILE A 40 20.579 -11.426 -11.772 1.00 71.31 C ATOM 609 CG2 ILE A 40 21.645 -9.918 -13.469 1.00 50.34 C ATOM 610 CD1 ILE A 40 19.311 -11.927 -11.117 1.00 30.41 C ATOM 0 H ILE A 40 19.680 -8.256 -14.042 1.00 50.10 H new ATOM 0 HA ILE A 40 18.719 -9.384 -11.720 1.00 1.40 H new ATOM 0 HB ILE A 40 19.661 -10.693 -13.562 1.00 14.42 H new ATOM 0 HG12 ILE A 40 21.079 -12.261 -12.263 1.00 71.31 H new ATOM 0 HG13 ILE A 40 21.256 -11.058 -11.001 1.00 71.31 H new ATOM 0 HG21 ILE A 40 22.092 -10.792 -13.943 1.00 50.34 H new ATOM 0 HG22 ILE A 40 21.448 -9.157 -14.224 1.00 50.34 H new ATOM 0 HG23 ILE A 40 22.332 -9.519 -12.722 1.00 50.34 H new ATOM 0 HD11 ILE A 40 19.557 -12.713 -10.402 1.00 30.41 H new ATOM 0 HD12 ILE A 40 18.820 -11.104 -10.597 1.00 30.41 H new ATOM 0 HD13 ILE A 40 18.641 -12.326 -11.879 1.00 30.41 H new ATOM 622 N THR A 41 21.556 -7.774 -11.306 1.00 12.02 N ATOM 623 CA THR A 41 22.480 -7.249 -10.309 1.00 41.41 C ATOM 624 C THR A 41 22.008 -5.900 -9.778 1.00 35.23 C ATOM 625 O THR A 41 22.815 -5.069 -9.365 1.00 10.33 O ATOM 626 CB THR A 41 23.899 -7.091 -10.887 1.00 23.13 C ATOM 627 OG1 THR A 41 23.930 -6.006 -11.821 1.00 64.51 O ATOM 628 CG2 THR A 41 24.349 -8.372 -11.573 1.00 42.25 C ATOM 0 H THR A 41 21.721 -7.435 -12.254 1.00 12.02 H new ATOM 0 HA THR A 41 22.506 -7.970 -9.492 1.00 41.41 H new ATOM 0 HB THR A 41 24.582 -6.880 -10.064 1.00 23.13 H new ATOM 0 HG1 THR A 41 24.836 -5.911 -12.182 1.00 64.51 H new ATOM 0 HG21 THR A 41 25.354 -8.237 -11.973 1.00 42.25 H new ATOM 0 HG22 THR A 41 24.353 -9.189 -10.852 1.00 42.25 H new ATOM 0 HG23 THR A 41 23.663 -8.609 -12.386 1.00 42.25 H new ATOM 636 N GLU A 42 20.695 -5.691 -9.791 1.00 33.21 N ATOM 637 CA GLU A 42 20.116 -4.442 -9.310 1.00 31.33 C ATOM 638 C GLU A 42 19.157 -4.698 -8.150 1.00 62.03 C ATOM 639 O GLU A 42 18.910 -3.816 -7.328 1.00 50.42 O ATOM 640 CB GLU A 42 19.382 -3.724 -10.444 1.00 72.20 C ATOM 641 CG GLU A 42 19.135 -2.250 -10.172 1.00 12.11 C ATOM 642 CD GLU A 42 20.420 -1.450 -10.082 1.00 51.14 C ATOM 643 OE1 GLU A 42 21.453 -1.927 -10.596 1.00 42.32 O ATOM 644 OE2 GLU A 42 20.391 -0.346 -9.498 1.00 64.34 O ATOM 0 H GLU A 42 20.013 -6.370 -10.129 1.00 33.21 H new ATOM 0 HA GLU A 42 20.928 -3.808 -8.954 1.00 31.33 H new ATOM 0 HB2 GLU A 42 19.962 -3.823 -11.361 1.00 72.20 H new ATOM 0 HB3 GLU A 42 18.426 -4.218 -10.617 1.00 72.20 H new ATOM 0 HG2 GLU A 42 18.510 -1.838 -10.964 1.00 12.11 H new ATOM 0 HG3 GLU A 42 18.580 -2.144 -9.240 1.00 12.11 H new ATOM 651 N VAL A 43 18.619 -5.912 -8.092 1.00 24.23 N ATOM 652 CA VAL A 43 17.688 -6.286 -7.034 1.00 3.43 C ATOM 653 C VAL A 43 18.393 -6.366 -5.684 1.00 41.43 C ATOM 654 O VAL A 43 17.765 -6.231 -4.635 1.00 40.51 O ATOM 655 CB VAL A 43 17.015 -7.639 -7.330 1.00 64.11 C ATOM 656 CG1 VAL A 43 18.063 -8.722 -7.540 1.00 50.32 C ATOM 657 CG2 VAL A 43 16.063 -8.018 -6.206 1.00 4.13 C ATOM 0 H VAL A 43 18.812 -6.653 -8.765 1.00 24.23 H new ATOM 0 HA VAL A 43 16.924 -5.509 -6.996 1.00 3.43 H new ATOM 0 HB VAL A 43 16.436 -7.544 -8.249 1.00 64.11 H new ATOM 0 HG11 VAL A 43 17.569 -9.671 -7.748 1.00 50.32 H new ATOM 0 HG12 VAL A 43 18.701 -8.453 -8.382 1.00 50.32 H new ATOM 0 HG13 VAL A 43 18.671 -8.819 -6.641 1.00 50.32 H new ATOM 0 HG21 VAL A 43 15.596 -8.977 -6.432 1.00 4.13 H new ATOM 0 HG22 VAL A 43 16.617 -8.096 -5.271 1.00 4.13 H new ATOM 0 HG23 VAL A 43 15.292 -7.253 -6.109 1.00 4.13 H new ATOM 667 N GLY A 44 19.704 -6.586 -5.719 1.00 51.03 N ATOM 668 CA GLY A 44 20.473 -6.680 -4.493 1.00 4.25 C ATOM 669 C GLY A 44 20.142 -5.571 -3.514 1.00 0.40 C ATOM 670 O GLY A 44 19.595 -5.807 -2.437 1.00 20.14 O ATOM 0 H GLY A 44 20.247 -6.701 -6.575 1.00 51.03 H new ATOM 0 HA2 GLY A 44 20.284 -7.645 -4.022 1.00 4.25 H new ATOM 0 HA3 GLY A 44 21.536 -6.645 -4.731 1.00 4.25 H new ATOM 674 N PRO A 45 20.479 -4.327 -3.887 1.00 55.01 N ATOM 675 CA PRO A 45 20.224 -3.152 -3.048 1.00 33.53 C ATOM 676 C PRO A 45 18.738 -2.825 -2.945 1.00 0.13 C ATOM 677 O PRO A 45 18.307 -2.134 -2.021 1.00 24.21 O ATOM 678 CB PRO A 45 20.970 -2.030 -3.773 1.00 11.32 C ATOM 679 CG PRO A 45 21.031 -2.472 -5.194 1.00 50.22 C ATOM 680 CD PRO A 45 21.133 -3.972 -5.157 1.00 41.43 C ATOM 0 HA PRO A 45 20.553 -3.306 -2.020 1.00 33.53 H new ATOM 0 HB2 PRO A 45 20.446 -1.079 -3.676 1.00 11.32 H new ATOM 0 HB3 PRO A 45 21.968 -1.887 -3.360 1.00 11.32 H new ATOM 0 HG2 PRO A 45 20.143 -2.155 -5.740 1.00 50.22 H new ATOM 0 HG3 PRO A 45 21.890 -2.035 -5.702 1.00 50.22 H new ATOM 0 HD2 PRO A 45 20.631 -4.430 -6.009 1.00 41.43 H new ATOM 0 HD3 PRO A 45 22.171 -4.305 -5.182 1.00 41.43 H new ATOM 688 N TYR A 46 17.959 -3.325 -3.898 1.00 4.23 N ATOM 689 CA TYR A 46 16.522 -3.083 -3.915 1.00 34.30 C ATOM 690 C TYR A 46 15.775 -4.189 -3.176 1.00 35.30 C ATOM 691 O TYR A 46 14.676 -4.581 -3.569 1.00 44.24 O ATOM 692 CB TYR A 46 16.017 -2.986 -5.356 1.00 32.14 C ATOM 693 CG TYR A 46 16.340 -1.668 -6.023 1.00 31.42 C ATOM 694 CD1 TYR A 46 16.097 -0.462 -5.377 1.00 22.43 C ATOM 695 CD2 TYR A 46 16.887 -1.629 -7.299 1.00 52.04 C ATOM 696 CE1 TYR A 46 16.390 0.744 -5.983 1.00 1.25 C ATOM 697 CE2 TYR A 46 17.184 -0.427 -7.912 1.00 63.33 C ATOM 698 CZ TYR A 46 16.934 0.756 -7.250 1.00 51.50 C ATOM 699 OH TYR A 46 17.227 1.956 -7.858 1.00 25.32 O ATOM 0 H TYR A 46 18.299 -3.900 -4.669 1.00 4.23 H new ATOM 0 HA TYR A 46 16.332 -2.138 -3.406 1.00 34.30 H new ATOM 0 HB2 TYR A 46 16.453 -3.796 -5.940 1.00 32.14 H new ATOM 0 HB3 TYR A 46 14.937 -3.133 -5.364 1.00 32.14 H new ATOM 0 HD1 TYR A 46 15.672 -0.468 -4.384 1.00 22.43 H new ATOM 0 HD2 TYR A 46 17.084 -2.554 -7.821 1.00 52.04 H new ATOM 0 HE1 TYR A 46 16.194 1.673 -5.467 1.00 1.25 H new ATOM 0 HE2 TYR A 46 17.610 -0.414 -8.904 1.00 63.33 H new ATOM 0 HH TYR A 46 17.605 1.789 -8.747 1.00 25.32 H new ATOM 709 N GLU A 47 16.379 -4.688 -2.102 1.00 44.22 N ATOM 710 CA GLU A 47 15.772 -5.749 -1.308 1.00 12.24 C ATOM 711 C GLU A 47 14.888 -5.167 -0.208 1.00 71.11 C ATOM 712 O GLU A 47 13.841 -5.725 0.121 1.00 12.53 O ATOM 713 CB GLU A 47 16.854 -6.638 -0.691 1.00 12.55 C ATOM 714 CG GLU A 47 17.258 -7.807 -1.573 1.00 54.40 C ATOM 715 CD GLU A 47 17.899 -8.935 -0.789 1.00 33.20 C ATOM 716 OE1 GLU A 47 18.413 -9.881 -1.422 1.00 1.31 O ATOM 717 OE2 GLU A 47 17.886 -8.872 0.458 1.00 31.23 O ATOM 0 H GLU A 47 17.288 -4.374 -1.762 1.00 44.22 H new ATOM 0 HA GLU A 47 15.150 -6.352 -1.969 1.00 12.24 H new ATOM 0 HB2 GLU A 47 17.735 -6.031 -0.481 1.00 12.55 H new ATOM 0 HB3 GLU A 47 16.496 -7.022 0.264 1.00 12.55 H new ATOM 0 HG2 GLU A 47 16.378 -8.186 -2.094 1.00 54.40 H new ATOM 0 HG3 GLU A 47 17.954 -7.458 -2.336 1.00 54.40 H new ATOM 724 N ASP A 48 15.318 -4.044 0.356 1.00 52.21 N ATOM 725 CA ASP A 48 14.566 -3.385 1.418 1.00 23.20 C ATOM 726 C ASP A 48 13.301 -2.735 0.866 1.00 23.21 C ATOM 727 O ASP A 48 12.188 -3.089 1.255 1.00 54.11 O ATOM 728 CB ASP A 48 15.435 -2.333 2.110 1.00 71.51 C ATOM 729 CG ASP A 48 16.378 -2.941 3.129 1.00 22.23 C ATOM 730 OD1 ASP A 48 17.475 -3.385 2.731 1.00 21.21 O ATOM 731 OD2 ASP A 48 16.019 -2.974 4.325 1.00 2.52 O ATOM 0 H ASP A 48 16.183 -3.571 0.096 1.00 52.21 H new ATOM 0 HA ASP A 48 14.275 -4.142 2.147 1.00 23.20 H new ATOM 0 HB2 ASP A 48 16.014 -1.794 1.360 1.00 71.51 H new ATOM 0 HB3 ASP A 48 14.793 -1.603 2.603 1.00 71.51 H new ATOM 736 N THR A 49 13.480 -1.781 -0.042 1.00 62.24 N ATOM 737 CA THR A 49 12.354 -1.080 -0.646 1.00 43.02 C ATOM 738 C THR A 49 11.387 -2.057 -1.304 1.00 33.21 C ATOM 739 O THR A 49 10.184 -2.021 -1.048 1.00 33.44 O ATOM 740 CB THR A 49 12.827 -0.058 -1.697 1.00 2.21 C ATOM 741 OG1 THR A 49 13.471 -0.734 -2.783 1.00 10.31 O ATOM 742 CG2 THR A 49 13.786 0.949 -1.079 1.00 63.34 C ATOM 0 H THR A 49 14.394 -1.476 -0.375 1.00 62.24 H new ATOM 0 HA THR A 49 11.842 -0.552 0.159 1.00 43.02 H new ATOM 0 HB THR A 49 11.954 0.477 -2.070 1.00 2.21 H new ATOM 0 HG1 THR A 49 13.767 -0.077 -3.447 1.00 10.31 H new ATOM 0 HG21 THR A 49 14.107 1.661 -1.840 1.00 63.34 H new ATOM 0 HG22 THR A 49 13.283 1.482 -0.272 1.00 63.34 H new ATOM 0 HG23 THR A 49 14.656 0.426 -0.681 1.00 63.34 H new ATOM 750 N ALA A 50 11.920 -2.930 -2.153 1.00 1.14 N ATOM 751 CA ALA A 50 11.103 -3.919 -2.845 1.00 44.10 C ATOM 752 C ALA A 50 10.814 -5.117 -1.948 1.00 20.35 C ATOM 753 O ALA A 50 11.731 -5.805 -1.499 1.00 65.13 O ATOM 754 CB ALA A 50 11.792 -4.370 -4.125 1.00 2.53 C ATOM 0 H ALA A 50 12.914 -2.972 -2.378 1.00 1.14 H new ATOM 0 HA ALA A 50 10.152 -3.453 -3.102 1.00 44.10 H new ATOM 0 HB1 ALA A 50 11.171 -5.109 -4.632 1.00 2.53 H new ATOM 0 HB2 ALA A 50 11.942 -3.511 -4.780 1.00 2.53 H new ATOM 0 HB3 ALA A 50 12.757 -4.814 -3.882 1.00 2.53 H new ATOM 760 N ASP A 51 9.534 -5.361 -1.689 1.00 21.13 N ATOM 761 CA ASP A 51 9.124 -6.477 -0.845 1.00 31.25 C ATOM 762 C ASP A 51 9.035 -7.767 -1.654 1.00 63.12 C ATOM 763 O ASP A 51 9.594 -8.795 -1.268 1.00 12.20 O ATOM 764 CB ASP A 51 7.775 -6.179 -0.188 1.00 1.01 C ATOM 765 CG ASP A 51 7.191 -7.391 0.510 1.00 15.04 C ATOM 766 OD1 ASP A 51 7.968 -8.296 0.878 1.00 4.35 O ATOM 767 OD2 ASP A 51 5.955 -7.435 0.688 1.00 30.31 O ATOM 0 H ASP A 51 8.763 -4.801 -2.052 1.00 21.13 H new ATOM 0 HA ASP A 51 9.877 -6.608 -0.068 1.00 31.25 H new ATOM 0 HB2 ASP A 51 7.896 -5.371 0.534 1.00 1.01 H new ATOM 0 HB3 ASP A 51 7.075 -5.827 -0.946 1.00 1.01 H new ATOM 772 N LEU A 52 8.329 -7.707 -2.778 1.00 4.31 N ATOM 773 CA LEU A 52 8.166 -8.870 -3.642 1.00 63.45 C ATOM 774 C LEU A 52 9.138 -8.817 -4.817 1.00 2.21 C ATOM 775 O LEU A 52 9.449 -7.741 -5.331 1.00 31.40 O ATOM 776 CB LEU A 52 6.729 -8.949 -4.159 1.00 34.32 C ATOM 777 CG LEU A 52 6.093 -10.340 -4.164 1.00 52.15 C ATOM 778 CD1 LEU A 52 6.834 -11.262 -5.120 1.00 40.23 C ATOM 779 CD2 LEU A 52 6.078 -10.925 -2.760 1.00 32.31 C ATOM 0 H LEU A 52 7.860 -6.865 -3.112 1.00 4.31 H new ATOM 0 HA LEU A 52 8.384 -9.761 -3.054 1.00 63.45 H new ATOM 0 HB2 LEU A 52 6.109 -8.290 -3.551 1.00 34.32 H new ATOM 0 HB3 LEU A 52 6.708 -8.558 -5.176 1.00 34.32 H new ATOM 0 HG LEU A 52 5.063 -10.246 -4.507 1.00 52.15 H new ATOM 0 HD11 LEU A 52 6.368 -12.247 -5.110 1.00 40.23 H new ATOM 0 HD12 LEU A 52 6.792 -10.850 -6.128 1.00 40.23 H new ATOM 0 HD13 LEU A 52 7.874 -11.350 -4.807 1.00 40.23 H new ATOM 0 HD21 LEU A 52 5.622 -11.915 -2.783 1.00 32.31 H new ATOM 0 HD22 LEU A 52 7.099 -11.005 -2.388 1.00 32.31 H new ATOM 0 HD23 LEU A 52 5.502 -10.275 -2.101 1.00 32.31 H new ATOM 791 N LEU A 53 9.614 -9.983 -5.238 1.00 74.52 N ATOM 792 CA LEU A 53 10.549 -10.070 -6.354 1.00 71.44 C ATOM 793 C LEU A 53 10.175 -11.215 -7.291 1.00 14.04 C ATOM 794 O LEU A 53 9.674 -12.251 -6.853 1.00 24.14 O ATOM 795 CB LEU A 53 11.975 -10.266 -5.836 1.00 51.44 C ATOM 796 CG LEU A 53 13.000 -10.753 -6.861 1.00 3.31 C ATOM 797 CD1 LEU A 53 13.168 -9.732 -7.975 1.00 52.34 C ATOM 798 CD2 LEU A 53 14.336 -11.033 -6.187 1.00 34.20 C ATOM 0 H LEU A 53 9.368 -10.882 -4.823 1.00 74.52 H new ATOM 0 HA LEU A 53 10.496 -9.136 -6.913 1.00 71.44 H new ATOM 0 HB2 LEU A 53 12.324 -9.319 -5.424 1.00 51.44 H new ATOM 0 HB3 LEU A 53 11.946 -10.980 -5.013 1.00 51.44 H new ATOM 0 HG LEU A 53 12.634 -11.682 -7.299 1.00 3.31 H new ATOM 0 HD11 LEU A 53 13.901 -10.096 -8.695 1.00 52.34 H new ATOM 0 HD12 LEU A 53 12.212 -9.580 -8.476 1.00 52.34 H new ATOM 0 HD13 LEU A 53 13.511 -8.787 -7.554 1.00 52.34 H new ATOM 0 HD21 LEU A 53 15.054 -11.379 -6.931 1.00 34.20 H new ATOM 0 HD22 LEU A 53 14.707 -10.120 -5.722 1.00 34.20 H new ATOM 0 HD23 LEU A 53 14.205 -11.801 -5.425 1.00 34.20 H new ATOM 810 N VAL A 54 10.422 -11.021 -8.582 1.00 62.42 N ATOM 811 CA VAL A 54 10.115 -12.039 -9.580 1.00 55.55 C ATOM 812 C VAL A 54 11.181 -12.081 -10.669 1.00 40.40 C ATOM 813 O VAL A 54 11.422 -11.088 -11.358 1.00 34.24 O ATOM 814 CB VAL A 54 8.741 -11.788 -10.232 1.00 24.32 C ATOM 815 CG1 VAL A 54 8.348 -12.962 -11.116 1.00 40.43 C ATOM 816 CG2 VAL A 54 7.685 -11.535 -9.167 1.00 21.33 C ATOM 0 H VAL A 54 10.834 -10.169 -8.962 1.00 62.42 H new ATOM 0 HA VAL A 54 10.094 -12.997 -9.060 1.00 55.55 H new ATOM 0 HB VAL A 54 8.812 -10.899 -10.859 1.00 24.32 H new ATOM 0 HG11 VAL A 54 7.375 -12.767 -11.568 1.00 40.43 H new ATOM 0 HG12 VAL A 54 9.093 -13.092 -11.901 1.00 40.43 H new ATOM 0 HG13 VAL A 54 8.293 -13.869 -10.514 1.00 40.43 H new ATOM 0 HG21 VAL A 54 6.721 -11.360 -9.645 1.00 21.33 H new ATOM 0 HG22 VAL A 54 7.613 -12.404 -8.512 1.00 21.33 H new ATOM 0 HG23 VAL A 54 7.963 -10.660 -8.579 1.00 21.33 H new ATOM 826 N THR A 55 11.819 -13.237 -10.821 1.00 20.14 N ATOM 827 CA THR A 55 12.861 -13.409 -11.825 1.00 72.40 C ATOM 828 C THR A 55 12.888 -14.841 -12.349 1.00 2.40 C ATOM 829 O THR A 55 12.381 -15.759 -11.704 1.00 62.22 O ATOM 830 CB THR A 55 14.250 -13.055 -11.261 1.00 15.34 C ATOM 831 OG1 THR A 55 15.266 -13.394 -12.211 1.00 13.41 O ATOM 832 CG2 THR A 55 14.506 -13.789 -9.953 1.00 52.31 C ATOM 0 H THR A 55 11.632 -14.069 -10.261 1.00 20.14 H new ATOM 0 HA THR A 55 12.626 -12.729 -12.644 1.00 72.40 H new ATOM 0 HB THR A 55 14.277 -11.982 -11.069 1.00 15.34 H new ATOM 0 HG1 THR A 55 15.248 -12.753 -12.952 1.00 13.41 H new ATOM 0 HG21 THR A 55 15.493 -13.523 -9.574 1.00 52.31 H new ATOM 0 HG22 THR A 55 13.748 -13.506 -9.223 1.00 52.31 H new ATOM 0 HG23 THR A 55 14.461 -14.864 -10.124 1.00 52.31 H new ATOM 840 N THR A 56 13.484 -15.025 -13.523 1.00 42.00 N ATOM 841 CA THR A 56 13.577 -16.345 -14.134 1.00 3.20 C ATOM 842 C THR A 56 14.957 -16.956 -13.915 1.00 55.11 C ATOM 843 O THR A 56 15.082 -18.154 -13.662 1.00 41.32 O ATOM 844 CB THR A 56 13.289 -16.286 -15.646 1.00 15.31 C ATOM 845 OG1 THR A 56 14.399 -15.699 -16.334 1.00 54.40 O ATOM 846 CG2 THR A 56 12.029 -15.480 -15.925 1.00 73.11 C ATOM 0 H THR A 56 13.910 -14.276 -14.070 1.00 42.00 H new ATOM 0 HA THR A 56 12.825 -16.970 -13.652 1.00 3.20 H new ATOM 0 HB THR A 56 13.138 -17.304 -16.005 1.00 15.31 H new ATOM 0 HG1 THR A 56 14.371 -14.725 -16.228 1.00 54.40 H new ATOM 0 HG21 THR A 56 11.845 -15.452 -16.999 1.00 73.11 H new ATOM 0 HG22 THR A 56 11.181 -15.946 -15.424 1.00 73.11 H new ATOM 0 HG23 THR A 56 12.157 -14.464 -15.552 1.00 73.11 H new ATOM 854 N ALA A 57 15.989 -16.125 -14.013 1.00 61.14 N ATOM 855 CA ALA A 57 17.360 -16.584 -13.823 1.00 55.22 C ATOM 856 C ALA A 57 17.538 -17.227 -12.452 1.00 50.20 C ATOM 857 O ALA A 57 16.592 -17.314 -11.669 1.00 44.42 O ATOM 858 CB ALA A 57 18.332 -15.427 -13.996 1.00 43.33 C ATOM 0 H ALA A 57 15.902 -15.131 -14.223 1.00 61.14 H new ATOM 0 HA ALA A 57 17.573 -17.339 -14.580 1.00 55.22 H new ATOM 0 HB1 ALA A 57 19.352 -15.784 -13.851 1.00 43.33 H new ATOM 0 HB2 ALA A 57 18.231 -15.014 -15.000 1.00 43.33 H new ATOM 0 HB3 ALA A 57 18.111 -14.653 -13.261 1.00 43.33 H new ATOM 954 N TYR A 63 18.139 -13.604 -0.174 1.00 22.20 N ATOM 955 CA TYR A 63 16.965 -12.754 -0.331 1.00 4.41 C ATOM 956 C TYR A 63 16.147 -12.712 0.956 1.00 75.43 C ATOM 957 O TYR A 63 16.083 -13.693 1.697 1.00 0.05 O ATOM 958 CB TYR A 63 16.097 -13.255 -1.486 1.00 32.23 C ATOM 959 CG TYR A 63 16.858 -13.444 -2.778 1.00 61.23 C ATOM 960 CD1 TYR A 63 17.075 -14.714 -3.300 1.00 40.42 C ATOM 961 CD2 TYR A 63 17.361 -12.354 -3.477 1.00 43.12 C ATOM 962 CE1 TYR A 63 17.771 -14.891 -4.481 1.00 34.34 C ATOM 963 CE2 TYR A 63 18.057 -12.522 -4.659 1.00 34.11 C ATOM 964 CZ TYR A 63 18.259 -13.793 -5.156 1.00 51.53 C ATOM 965 OH TYR A 63 18.952 -13.964 -6.332 1.00 64.34 O ATOM 0 HA TYR A 63 17.307 -11.744 -0.555 1.00 4.41 H new ATOM 0 HB2 TYR A 63 15.640 -14.203 -1.201 1.00 32.23 H new ATOM 0 HB3 TYR A 63 15.285 -12.547 -1.653 1.00 32.23 H new ATOM 0 HD1 TYR A 63 16.693 -15.577 -2.774 1.00 40.42 H new ATOM 0 HD2 TYR A 63 17.205 -11.358 -3.090 1.00 43.12 H new ATOM 0 HE1 TYR A 63 17.932 -15.885 -4.873 1.00 34.34 H new ATOM 0 HE2 TYR A 63 18.440 -11.664 -5.190 1.00 34.11 H new ATOM 0 HH TYR A 63 19.226 -13.090 -6.680 1.00 64.34 H new ATOM 975 N LYS A 64 15.520 -11.570 1.214 1.00 53.42 N ATOM 976 CA LYS A 64 14.702 -11.398 2.409 1.00 42.22 C ATOM 977 C LYS A 64 13.220 -11.355 2.052 1.00 13.33 C ATOM 978 O LYS A 64 12.467 -10.537 2.582 1.00 21.25 O ATOM 979 CB LYS A 64 15.099 -10.115 3.143 1.00 54.11 C ATOM 980 CG LYS A 64 16.468 -10.186 3.796 1.00 62.12 C ATOM 981 CD LYS A 64 16.388 -10.766 5.198 1.00 1.20 C ATOM 982 CE LYS A 64 16.455 -12.285 5.178 1.00 70.24 C ATOM 983 NZ LYS A 64 16.966 -12.835 6.464 1.00 62.24 N ATOM 0 H LYS A 64 15.563 -10.748 0.611 1.00 53.42 H new ATOM 0 HA LYS A 64 14.875 -12.252 3.064 1.00 42.22 H new ATOM 0 HB2 LYS A 64 15.085 -9.284 2.438 1.00 54.11 H new ATOM 0 HB3 LYS A 64 14.352 -9.898 3.907 1.00 54.11 H new ATOM 0 HG2 LYS A 64 17.132 -10.798 3.186 1.00 62.12 H new ATOM 0 HG3 LYS A 64 16.904 -9.188 3.839 1.00 62.12 H new ATOM 0 HD2 LYS A 64 17.205 -10.373 5.803 1.00 1.20 H new ATOM 0 HD3 LYS A 64 15.459 -10.448 5.672 1.00 1.20 H new ATOM 0 HE2 LYS A 64 15.463 -12.690 4.979 1.00 70.24 H new ATOM 0 HE3 LYS A 64 17.101 -12.609 4.362 1.00 70.24 H new ATOM 0 HZ1 LYS A 64 16.997 -13.873 6.410 1.00 62.24 H new ATOM 0 HZ2 LYS A 64 17.923 -12.469 6.642 1.00 62.24 H new ATOM 0 HZ3 LYS A 64 16.336 -12.547 7.240 1.00 62.24 H new ATOM 997 N PHE A 65 12.806 -12.240 1.152 1.00 23.51 N ATOM 998 CA PHE A 65 11.413 -12.304 0.725 1.00 3.53 C ATOM 999 C PHE A 65 11.147 -13.573 -0.078 1.00 25.41 C ATOM 1000 O PHE A 65 12.057 -14.185 -0.639 1.00 32.32 O ATOM 1001 CB PHE A 65 11.058 -11.073 -0.112 1.00 61.22 C ATOM 1002 CG PHE A 65 12.138 -10.672 -1.076 1.00 0.01 C ATOM 1003 CD1 PHE A 65 12.761 -9.440 -0.965 1.00 5.35 C ATOM 1004 CD2 PHE A 65 12.529 -11.527 -2.094 1.00 23.04 C ATOM 1005 CE1 PHE A 65 13.756 -9.067 -1.849 1.00 71.45 C ATOM 1006 CE2 PHE A 65 13.523 -11.160 -2.981 1.00 63.51 C ATOM 1007 CZ PHE A 65 14.136 -9.929 -2.860 1.00 5.33 C ATOM 0 H PHE A 65 13.416 -12.924 0.704 1.00 23.51 H new ATOM 0 HA PHE A 65 10.786 -12.323 1.617 1.00 3.53 H new ATOM 0 HB2 PHE A 65 10.142 -11.273 -0.668 1.00 61.22 H new ATOM 0 HB3 PHE A 65 10.849 -10.237 0.556 1.00 61.22 H new ATOM 0 HD1 PHE A 65 12.466 -8.762 -0.178 1.00 5.35 H new ATOM 0 HD2 PHE A 65 12.052 -12.491 -2.195 1.00 23.04 H new ATOM 0 HE1 PHE A 65 14.235 -8.104 -1.750 1.00 71.45 H new ATOM 0 HE2 PHE A 65 13.820 -11.836 -3.769 1.00 63.51 H new ATOM 0 HZ PHE A 65 14.911 -9.640 -3.554 1.00 5.33 H new ATOM 1017 N PRO A 66 9.871 -13.981 -0.135 1.00 13.52 N ATOM 1018 CA PRO A 66 9.454 -15.181 -0.866 1.00 44.20 C ATOM 1019 C PRO A 66 9.569 -15.008 -2.377 1.00 22.23 C ATOM 1020 O PRO A 66 8.587 -14.705 -3.054 1.00 34.14 O ATOM 1021 CB PRO A 66 7.989 -15.355 -0.458 1.00 5.25 C ATOM 1022 CG PRO A 66 7.536 -13.986 -0.083 1.00 34.32 C ATOM 1023 CD PRO A 66 8.735 -13.300 0.510 1.00 41.00 C ATOM 0 HA PRO A 66 10.081 -16.041 -0.629 1.00 44.20 H new ATOM 0 HB2 PRO A 66 7.395 -15.758 -1.278 1.00 5.25 H new ATOM 0 HB3 PRO A 66 7.890 -16.048 0.378 1.00 5.25 H new ATOM 0 HG2 PRO A 66 7.168 -13.444 -0.955 1.00 34.32 H new ATOM 0 HG3 PRO A 66 6.717 -14.029 0.635 1.00 34.32 H new ATOM 0 HD2 PRO A 66 8.733 -12.231 0.296 1.00 41.00 H new ATOM 0 HD3 PRO A 66 8.765 -13.408 1.594 1.00 41.00 H new ATOM 1031 N VAL A 67 10.775 -15.204 -2.900 1.00 44.42 N ATOM 1032 CA VAL A 67 11.018 -15.071 -4.332 1.00 22.13 C ATOM 1033 C VAL A 67 10.101 -15.989 -5.132 1.00 23.31 C ATOM 1034 O VAL A 67 9.745 -17.077 -4.677 1.00 43.14 O ATOM 1035 CB VAL A 67 12.483 -15.392 -4.685 1.00 12.34 C ATOM 1036 CG1 VAL A 67 12.740 -15.152 -6.164 1.00 64.15 C ATOM 1037 CG2 VAL A 67 13.430 -14.564 -3.829 1.00 50.23 C ATOM 0 H VAL A 67 11.599 -15.455 -2.354 1.00 44.42 H new ATOM 0 HA VAL A 67 10.808 -14.034 -4.594 1.00 22.13 H new ATOM 0 HB VAL A 67 12.667 -16.446 -4.475 1.00 12.34 H new ATOM 0 HG11 VAL A 67 13.780 -15.384 -6.395 1.00 64.15 H new ATOM 0 HG12 VAL A 67 12.085 -15.792 -6.756 1.00 64.15 H new ATOM 0 HG13 VAL A 67 12.539 -14.108 -6.403 1.00 64.15 H new ATOM 0 HG21 VAL A 67 14.461 -14.803 -4.091 1.00 50.23 H new ATOM 0 HG22 VAL A 67 13.247 -13.504 -4.005 1.00 50.23 H new ATOM 0 HG23 VAL A 67 13.261 -14.791 -2.776 1.00 50.23 H new ATOM 1047 N ILE A 68 9.723 -15.544 -6.325 1.00 60.54 N ATOM 1048 CA ILE A 68 8.849 -16.327 -7.190 1.00 33.31 C ATOM 1049 C ILE A 68 9.403 -16.403 -8.609 1.00 32.24 C ATOM 1050 O ILE A 68 9.583 -15.382 -9.271 1.00 34.22 O ATOM 1051 CB ILE A 68 7.427 -15.736 -7.237 1.00 23.11 C ATOM 1052 CG1 ILE A 68 6.817 -15.707 -5.834 1.00 72.43 C ATOM 1053 CG2 ILE A 68 6.551 -16.540 -8.186 1.00 14.32 C ATOM 1054 CD1 ILE A 68 5.928 -14.509 -5.587 1.00 1.44 C ATOM 0 H ILE A 68 10.008 -14.646 -6.715 1.00 60.54 H new ATOM 0 HA ILE A 68 8.803 -17.330 -6.767 1.00 33.31 H new ATOM 0 HB ILE A 68 7.486 -14.713 -7.608 1.00 23.11 H new ATOM 0 HG12 ILE A 68 6.238 -16.617 -5.680 1.00 72.43 H new ATOM 0 HG13 ILE A 68 7.620 -15.711 -5.097 1.00 72.43 H new ATOM 0 HG21 ILE A 68 5.549 -16.110 -8.209 1.00 14.32 H new ATOM 0 HG22 ILE A 68 6.980 -16.513 -9.188 1.00 14.32 H new ATOM 0 HG23 ILE A 68 6.495 -17.573 -7.843 1.00 14.32 H new ATOM 0 HD11 ILE A 68 5.530 -14.554 -4.573 1.00 1.44 H new ATOM 0 HD12 ILE A 68 6.508 -13.594 -5.709 1.00 1.44 H new ATOM 0 HD13 ILE A 68 5.104 -14.514 -6.300 1.00 1.44 H new ATOM 1066 N ASN A 69 9.670 -17.621 -9.069 1.00 50.13 N ATOM 1067 CA ASN A 69 10.203 -17.831 -10.411 1.00 14.33 C ATOM 1068 C ASN A 69 9.208 -17.365 -11.470 1.00 20.22 C ATOM 1069 O ASN A 69 8.008 -17.614 -11.361 1.00 71.41 O ATOM 1070 CB ASN A 69 10.537 -19.308 -10.624 1.00 22.43 C ATOM 1071 CG ASN A 69 9.304 -20.191 -10.593 1.00 2.32 C ATOM 1072 OD1 ASN A 69 8.348 -19.915 -9.868 1.00 51.22 O ATOM 1073 ND2 ASN A 69 9.321 -21.259 -11.381 1.00 64.13 N ATOM 0 H ASN A 69 9.526 -18.477 -8.533 1.00 50.13 H new ATOM 0 HA ASN A 69 11.115 -17.242 -10.510 1.00 14.33 H new ATOM 0 HB2 ASN A 69 11.043 -19.429 -11.582 1.00 22.43 H new ATOM 0 HB3 ASN A 69 11.234 -19.635 -9.852 1.00 22.43 H new ATOM 0 HD21 ASN A 69 8.520 -21.890 -11.402 1.00 64.13 H new ATOM 0 HD22 ASN A 69 10.135 -21.449 -11.965 1.00 64.13 H new ATOM 1080 N ALA A 70 9.717 -16.688 -12.494 1.00 75.12 N ATOM 1081 CA ALA A 70 8.874 -16.190 -13.574 1.00 70.03 C ATOM 1082 C ALA A 70 8.848 -17.167 -14.745 1.00 14.10 C ATOM 1083 O ALA A 70 8.782 -16.759 -15.905 1.00 11.13 O ATOM 1084 CB ALA A 70 9.360 -14.824 -14.035 1.00 54.23 C ATOM 0 H ALA A 70 10.708 -16.472 -12.598 1.00 75.12 H new ATOM 0 HA ALA A 70 7.857 -16.093 -13.193 1.00 70.03 H new ATOM 0 HB1 ALA A 70 8.722 -14.464 -14.842 1.00 54.23 H new ATOM 0 HB2 ALA A 70 9.321 -14.123 -13.201 1.00 54.23 H new ATOM 0 HB3 ALA A 70 10.386 -14.905 -14.393 1.00 54.23 H new ATOM 1090 N ARG A 71 8.900 -18.458 -14.434 1.00 11.23 N ATOM 1091 CA ARG A 71 8.884 -19.493 -15.461 1.00 10.44 C ATOM 1092 C ARG A 71 7.592 -19.435 -16.270 1.00 71.13 C ATOM 1093 O ARG A 71 7.587 -19.707 -17.470 1.00 42.00 O ATOM 1094 CB ARG A 71 9.038 -20.875 -14.824 1.00 64.11 C ATOM 1095 CG ARG A 71 10.473 -21.222 -14.463 1.00 24.41 C ATOM 1096 CD ARG A 71 11.320 -21.454 -15.705 1.00 1.33 C ATOM 1097 NE ARG A 71 10.850 -22.596 -16.483 1.00 34.51 N ATOM 1098 CZ ARG A 71 11.505 -23.096 -17.525 1.00 52.30 C ATOM 1099 NH1 ARG A 71 12.652 -22.556 -17.911 1.00 44.35 N ATOM 1100 NH2 ARG A 71 11.012 -24.138 -18.183 1.00 3.34 N ATOM 0 H ARG A 71 8.954 -18.812 -13.479 1.00 11.23 H new ATOM 0 HA ARG A 71 9.723 -19.315 -16.134 1.00 10.44 H new ATOM 0 HB2 ARG A 71 8.424 -20.922 -13.924 1.00 64.11 H new ATOM 0 HB3 ARG A 71 8.653 -21.628 -15.512 1.00 64.11 H new ATOM 0 HG2 ARG A 71 10.906 -20.415 -13.872 1.00 24.41 H new ATOM 0 HG3 ARG A 71 10.486 -22.116 -13.840 1.00 24.41 H new ATOM 0 HD2 ARG A 71 11.303 -20.560 -16.328 1.00 1.33 H new ATOM 0 HD3 ARG A 71 12.357 -21.618 -15.411 1.00 1.33 H new ATOM 0 HE ARG A 71 9.970 -23.034 -16.212 1.00 34.51 H new ATOM 0 HH11 ARG A 71 13.033 -21.755 -17.408 1.00 44.35 H new ATOM 0 HH12 ARG A 71 13.153 -22.941 -18.711 1.00 44.35 H new ATOM 0 HH21 ARG A 71 10.129 -24.556 -17.889 1.00 3.34 H new ATOM 0 HH22 ARG A 71 11.516 -24.521 -18.983 1.00 3.34 H new ATOM 1114 N ASN A 72 6.498 -19.080 -15.605 1.00 12.24 N ATOM 1115 CA ASN A 72 5.199 -18.988 -16.262 1.00 42.31 C ATOM 1116 C ASN A 72 5.220 -17.930 -17.361 1.00 14.51 C ATOM 1117 O ASN A 72 4.513 -18.045 -18.363 1.00 21.44 O ATOM 1118 CB ASN A 72 4.109 -18.657 -15.240 1.00 63.24 C ATOM 1119 CG ASN A 72 2.720 -18.990 -15.749 1.00 70.10 C ATOM 1120 OD1 ASN A 72 2.288 -18.483 -16.784 1.00 71.34 O ATOM 1121 ND2 ASN A 72 2.013 -19.846 -15.021 1.00 31.24 N ATOM 0 H ASN A 72 6.485 -18.851 -14.611 1.00 12.24 H new ATOM 0 HA ASN A 72 4.980 -19.954 -16.716 1.00 42.31 H new ATOM 0 HB2 ASN A 72 4.298 -19.209 -14.319 1.00 63.24 H new ATOM 0 HB3 ASN A 72 4.158 -17.597 -14.991 1.00 63.24 H new ATOM 0 HD21 ASN A 72 1.071 -20.108 -15.313 1.00 31.24 H new ATOM 0 HD22 ASN A 72 2.411 -20.242 -14.170 1.00 31.24 H new ATOM 1128 N PHE A 73 6.035 -16.898 -17.166 1.00 73.14 N ATOM 1129 CA PHE A 73 6.147 -15.819 -18.140 1.00 45.43 C ATOM 1130 C PHE A 73 7.219 -16.134 -19.180 1.00 0.21 C ATOM 1131 O PHE A 73 8.046 -15.284 -19.513 1.00 51.15 O ATOM 1132 CB PHE A 73 6.476 -14.500 -17.436 1.00 60.43 C ATOM 1133 CG PHE A 73 5.385 -14.021 -16.521 1.00 64.34 C ATOM 1134 CD1 PHE A 73 5.154 -14.651 -15.309 1.00 12.40 C ATOM 1135 CD2 PHE A 73 4.591 -12.942 -16.874 1.00 63.03 C ATOM 1136 CE1 PHE A 73 4.151 -14.212 -14.465 1.00 22.15 C ATOM 1137 CE2 PHE A 73 3.588 -12.499 -16.034 1.00 14.22 C ATOM 1138 CZ PHE A 73 3.366 -13.135 -14.828 1.00 65.31 C ATOM 0 H PHE A 73 6.627 -16.787 -16.343 1.00 73.14 H new ATOM 0 HA PHE A 73 5.188 -15.722 -18.650 1.00 45.43 H new ATOM 0 HB2 PHE A 73 7.394 -14.623 -16.861 1.00 60.43 H new ATOM 0 HB3 PHE A 73 6.671 -13.735 -18.188 1.00 60.43 H new ATOM 0 HD1 PHE A 73 5.764 -15.494 -15.020 1.00 12.40 H new ATOM 0 HD2 PHE A 73 4.758 -12.442 -17.816 1.00 63.03 H new ATOM 0 HE1 PHE A 73 3.981 -14.711 -13.522 1.00 22.15 H new ATOM 0 HE2 PHE A 73 2.977 -11.655 -16.320 1.00 14.22 H new ATOM 0 HZ PHE A 73 2.581 -12.791 -14.171 1.00 65.31 H new ATOM 1148 N LEU A 74 7.199 -17.361 -19.688 1.00 54.11 N ATOM 1149 CA LEU A 74 8.168 -17.790 -20.690 1.00 23.30 C ATOM 1150 C LEU A 74 7.477 -18.127 -22.007 1.00 42.25 C ATOM 1151 O LEU A 74 8.027 -17.900 -23.086 1.00 22.22 O ATOM 1152 CB LEU A 74 8.948 -19.005 -20.185 1.00 64.42 C ATOM 1153 CG LEU A 74 10.378 -19.150 -20.709 1.00 31.03 C ATOM 1154 CD1 LEU A 74 10.377 -19.349 -22.216 1.00 74.04 C ATOM 1155 CD2 LEU A 74 11.210 -17.934 -20.330 1.00 41.41 C ATOM 0 H LEU A 74 6.522 -18.077 -19.422 1.00 54.11 H new ATOM 0 HA LEU A 74 8.861 -16.967 -20.865 1.00 23.30 H new ATOM 0 HB2 LEU A 74 8.984 -18.962 -19.096 1.00 64.42 H new ATOM 0 HB3 LEU A 74 8.392 -19.904 -20.450 1.00 64.42 H new ATOM 0 HG LEU A 74 10.826 -20.030 -20.248 1.00 31.03 H new ATOM 0 HD11 LEU A 74 11.403 -19.450 -22.570 1.00 74.04 H new ATOM 0 HD12 LEU A 74 9.817 -20.251 -22.464 1.00 74.04 H new ATOM 0 HD13 LEU A 74 9.910 -18.489 -22.696 1.00 74.04 H new ATOM 0 HD21 LEU A 74 12.224 -18.054 -20.711 1.00 41.41 H new ATOM 0 HD22 LEU A 74 10.764 -17.039 -20.763 1.00 41.41 H new ATOM 0 HD23 LEU A 74 11.239 -17.837 -19.245 1.00 41.41 H new ATOM 1207 N GLY A 78 -0.822 -18.078 -18.932 1.00 12.13 N ATOM 1208 CA GLY A 78 -0.730 -18.754 -17.651 1.00 64.31 C ATOM 1209 C GLY A 78 -0.405 -17.804 -16.516 1.00 13.04 C ATOM 1210 O GLY A 78 -0.165 -18.234 -15.387 1.00 61.11 O ATOM 0 HA2 GLY A 78 -1.674 -19.257 -17.441 1.00 64.31 H new ATOM 0 HA3 GLY A 78 0.037 -19.526 -17.705 1.00 64.31 H new ATOM 1214 N ILE A 79 -0.397 -16.509 -16.814 1.00 21.21 N ATOM 1215 CA ILE A 79 -0.099 -15.496 -15.809 1.00 62.21 C ATOM 1216 C ILE A 79 -1.111 -15.538 -14.669 1.00 50.03 C ATOM 1217 O ILE A 79 -0.739 -15.546 -13.496 1.00 60.35 O ATOM 1218 CB ILE A 79 -0.089 -14.083 -16.420 1.00 50.35 C ATOM 1219 CG1 ILE A 79 0.945 -13.997 -17.545 1.00 3.33 C ATOM 1220 CG2 ILE A 79 0.199 -13.044 -15.347 1.00 44.54 C ATOM 1221 CD1 ILE A 79 0.960 -12.659 -18.251 1.00 60.33 C ATOM 0 H ILE A 79 -0.593 -16.137 -17.743 1.00 21.21 H new ATOM 0 HA ILE A 79 0.894 -15.721 -15.419 1.00 62.21 H new ATOM 0 HB ILE A 79 -1.073 -13.878 -16.841 1.00 50.35 H new ATOM 0 HG12 ILE A 79 1.935 -14.193 -17.133 1.00 3.33 H new ATOM 0 HG13 ILE A 79 0.743 -14.781 -18.274 1.00 3.33 H new ATOM 0 HG21 ILE A 79 0.203 -12.050 -15.795 1.00 44.54 H new ATOM 0 HG22 ILE A 79 -0.571 -13.092 -14.577 1.00 44.54 H new ATOM 0 HG23 ILE A 79 1.172 -13.244 -14.899 1.00 44.54 H new ATOM 0 HD11 ILE A 79 1.716 -12.670 -19.036 1.00 60.33 H new ATOM 0 HD12 ILE A 79 -0.018 -12.470 -18.693 1.00 60.33 H new ATOM 0 HD13 ILE A 79 1.193 -11.872 -17.534 1.00 60.33 H new ATOM 1233 N GLU A 80 -2.392 -15.566 -15.023 1.00 51.24 N ATOM 1234 CA GLU A 80 -3.458 -15.608 -14.029 1.00 41.02 C ATOM 1235 C GLU A 80 -3.234 -16.748 -13.040 1.00 10.35 C ATOM 1236 O GLU A 80 -3.533 -16.620 -11.853 1.00 0.12 O ATOM 1237 CB GLU A 80 -4.817 -15.771 -14.713 1.00 31.12 C ATOM 1238 CG GLU A 80 -4.943 -17.053 -15.519 1.00 40.11 C ATOM 1239 CD GLU A 80 -6.270 -17.157 -16.246 1.00 3.01 C ATOM 1240 OE1 GLU A 80 -7.319 -16.981 -15.592 1.00 31.32 O ATOM 1241 OE2 GLU A 80 -6.259 -17.414 -17.468 1.00 21.23 O ATOM 0 H GLU A 80 -2.717 -15.560 -15.990 1.00 51.24 H new ATOM 0 HA GLU A 80 -3.446 -14.666 -13.480 1.00 41.02 H new ATOM 0 HB2 GLU A 80 -5.600 -15.750 -13.955 1.00 31.12 H new ATOM 0 HB3 GLU A 80 -4.987 -14.919 -15.372 1.00 31.12 H new ATOM 0 HG2 GLU A 80 -4.131 -17.103 -16.244 1.00 40.11 H new ATOM 0 HG3 GLU A 80 -4.829 -17.909 -14.854 1.00 40.11 H new ATOM 1248 N GLU A 81 -2.707 -17.862 -13.538 1.00 44.50 N ATOM 1249 CA GLU A 81 -2.444 -19.024 -12.698 1.00 32.11 C ATOM 1250 C GLU A 81 -1.454 -18.681 -11.589 1.00 23.52 C ATOM 1251 O GLU A 81 -1.811 -18.640 -10.411 1.00 75.51 O ATOM 1252 CB GLU A 81 -1.902 -20.179 -13.542 1.00 63.22 C ATOM 1253 CG GLU A 81 -1.893 -21.513 -12.815 1.00 33.21 C ATOM 1254 CD GLU A 81 -3.233 -22.220 -12.878 1.00 32.42 C ATOM 1255 OE1 GLU A 81 -3.552 -22.974 -11.934 1.00 50.35 O ATOM 1256 OE2 GLU A 81 -3.963 -22.020 -13.871 1.00 51.32 O ATOM 0 H GLU A 81 -2.454 -17.984 -14.519 1.00 44.50 H new ATOM 0 HA GLU A 81 -3.385 -19.329 -12.240 1.00 32.11 H new ATOM 0 HB2 GLU A 81 -2.505 -20.271 -14.446 1.00 63.22 H new ATOM 0 HB3 GLU A 81 -0.887 -19.941 -13.859 1.00 63.22 H new ATOM 0 HG2 GLU A 81 -1.127 -22.155 -13.250 1.00 33.21 H new ATOM 0 HG3 GLU A 81 -1.620 -21.353 -11.772 1.00 33.21 H new ATOM 1263 N THR A 82 -0.205 -18.436 -11.973 1.00 61.25 N ATOM 1264 CA THR A 82 0.838 -18.099 -11.013 1.00 44.03 C ATOM 1265 C THR A 82 0.451 -16.878 -10.186 1.00 72.44 C ATOM 1266 O THR A 82 0.766 -16.794 -8.999 1.00 74.31 O ATOM 1267 CB THR A 82 2.181 -17.824 -11.716 1.00 40.52 C ATOM 1268 OG1 THR A 82 2.603 -18.985 -12.439 1.00 21.41 O ATOM 1269 CG2 THR A 82 3.250 -17.432 -10.707 1.00 52.20 C ATOM 0 H THR A 82 0.109 -18.465 -12.943 1.00 61.25 H new ATOM 0 HA THR A 82 0.951 -18.960 -10.354 1.00 44.03 H new ATOM 0 HB THR A 82 2.039 -16.996 -12.411 1.00 40.52 H new ATOM 0 HG1 THR A 82 3.534 -19.191 -12.212 1.00 21.41 H new ATOM 0 HG21 THR A 82 4.189 -17.243 -11.227 1.00 52.20 H new ATOM 0 HG22 THR A 82 2.939 -16.530 -10.179 1.00 52.20 H new ATOM 0 HG23 THR A 82 3.389 -18.242 -9.991 1.00 52.20 H new ATOM 1277 N LYS A 83 -0.235 -15.934 -10.821 1.00 10.55 N ATOM 1278 CA LYS A 83 -0.668 -14.717 -10.143 1.00 72.04 C ATOM 1279 C LYS A 83 -1.412 -15.048 -8.853 1.00 42.33 C ATOM 1280 O LYS A 83 -1.320 -14.315 -7.869 1.00 22.12 O ATOM 1281 CB LYS A 83 -1.567 -13.889 -11.064 1.00 42.54 C ATOM 1282 CG LYS A 83 -1.847 -12.490 -10.543 1.00 51.43 C ATOM 1283 CD LYS A 83 -0.698 -11.542 -10.845 1.00 13.23 C ATOM 1284 CE LYS A 83 -1.079 -10.097 -10.562 1.00 54.44 C ATOM 1285 NZ LYS A 83 -0.950 -9.761 -9.117 1.00 74.22 N ATOM 0 H LYS A 83 -0.503 -15.988 -11.804 1.00 10.55 H new ATOM 0 HA LYS A 83 0.219 -14.136 -9.891 1.00 72.04 H new ATOM 0 HB2 LYS A 83 -1.098 -13.815 -12.045 1.00 42.54 H new ATOM 0 HB3 LYS A 83 -2.513 -14.413 -11.201 1.00 42.54 H new ATOM 0 HG2 LYS A 83 -2.763 -12.109 -10.995 1.00 51.43 H new ATOM 0 HG3 LYS A 83 -2.015 -12.528 -9.467 1.00 51.43 H new ATOM 0 HD2 LYS A 83 0.169 -11.816 -10.243 1.00 13.23 H new ATOM 0 HD3 LYS A 83 -0.405 -11.644 -11.890 1.00 13.23 H new ATOM 0 HE2 LYS A 83 -0.443 -9.433 -11.147 1.00 54.44 H new ATOM 0 HE3 LYS A 83 -2.105 -9.922 -10.885 1.00 54.44 H new ATOM 0 HZ1 LYS A 83 -1.219 -8.768 -8.966 1.00 74.22 H new ATOM 0 HZ2 LYS A 83 -1.576 -10.377 -8.560 1.00 74.22 H new ATOM 0 HZ3 LYS A 83 0.035 -9.903 -8.814 1.00 74.22 H new ATOM 1299 N GLN A 84 -2.146 -16.155 -8.866 1.00 72.42 N ATOM 1300 CA GLN A 84 -2.904 -16.582 -7.696 1.00 73.41 C ATOM 1301 C GLN A 84 -1.991 -16.749 -6.486 1.00 44.44 C ATOM 1302 O GLN A 84 -2.390 -16.478 -5.354 1.00 61.12 O ATOM 1303 CB GLN A 84 -3.632 -17.897 -7.985 1.00 44.42 C ATOM 1304 CG GLN A 84 -4.739 -17.765 -9.019 1.00 3.25 C ATOM 1305 CD GLN A 84 -6.108 -17.604 -8.389 1.00 54.11 C ATOM 1306 OE1 GLN A 84 -6.836 -16.658 -8.692 1.00 12.24 O ATOM 1307 NE2 GLN A 84 -6.468 -18.530 -7.508 1.00 3.13 N ATOM 0 H GLN A 84 -2.232 -16.773 -9.673 1.00 72.42 H new ATOM 0 HA GLN A 84 -3.639 -15.809 -7.470 1.00 73.41 H new ATOM 0 HB2 GLN A 84 -2.908 -18.635 -8.332 1.00 44.42 H new ATOM 0 HB3 GLN A 84 -4.057 -18.279 -7.057 1.00 44.42 H new ATOM 0 HG2 GLN A 84 -4.534 -16.906 -9.658 1.00 3.25 H new ATOM 0 HG3 GLN A 84 -4.739 -18.647 -9.660 1.00 3.25 H new ATOM 0 HE21 GLN A 84 -5.833 -19.297 -7.286 1.00 3.13 H new ATOM 0 HE22 GLN A 84 -7.379 -18.474 -7.053 1.00 3.13 H new ATOM 1316 N GLN A 85 -0.764 -17.195 -6.735 1.00 23.34 N ATOM 1317 CA GLN A 85 0.206 -17.398 -5.665 1.00 31.44 C ATOM 1318 C GLN A 85 0.696 -16.063 -5.114 1.00 21.43 C ATOM 1319 O GLN A 85 0.716 -15.851 -3.901 1.00 34.21 O ATOM 1320 CB GLN A 85 1.392 -18.221 -6.172 1.00 12.23 C ATOM 1321 CG GLN A 85 0.984 -19.486 -6.909 1.00 31.12 C ATOM 1322 CD GLN A 85 -0.144 -20.226 -6.217 1.00 60.45 C ATOM 1323 OE1 GLN A 85 0.031 -20.767 -5.125 1.00 33.00 O ATOM 1324 NE2 GLN A 85 -1.310 -20.255 -6.852 1.00 13.23 N ATOM 0 H GLN A 85 -0.418 -17.423 -7.667 1.00 23.34 H new ATOM 0 HA GLN A 85 -0.287 -17.943 -4.860 1.00 31.44 H new ATOM 0 HB2 GLN A 85 1.995 -17.602 -6.836 1.00 12.23 H new ATOM 0 HB3 GLN A 85 2.024 -18.491 -5.326 1.00 12.23 H new ATOM 0 HG2 GLN A 85 0.677 -19.228 -7.923 1.00 31.12 H new ATOM 0 HG3 GLN A 85 1.847 -20.146 -6.996 1.00 31.12 H new ATOM 0 HE21 GLN A 85 -1.410 -19.793 -7.756 1.00 13.23 H new ATOM 0 HE22 GLN A 85 -2.105 -20.739 -6.436 1.00 13.23 H new ATOM 1333 N ILE A 86 1.091 -15.168 -6.012 1.00 4.41 N ATOM 1334 CA ILE A 86 1.581 -13.853 -5.615 1.00 31.31 C ATOM 1335 C ILE A 86 0.488 -13.045 -4.923 1.00 71.54 C ATOM 1336 O ILE A 86 0.701 -12.485 -3.848 1.00 5.52 O ATOM 1337 CB ILE A 86 2.103 -13.058 -6.826 1.00 3.12 C ATOM 1338 CG1 ILE A 86 3.233 -13.824 -7.518 1.00 10.53 C ATOM 1339 CG2 ILE A 86 2.579 -11.680 -6.389 1.00 65.52 C ATOM 1340 CD1 ILE A 86 2.788 -14.566 -8.758 1.00 44.24 C ATOM 0 H ILE A 86 1.082 -15.329 -7.019 1.00 4.41 H new ATOM 0 HA ILE A 86 2.403 -14.019 -4.918 1.00 31.31 H new ATOM 0 HB ILE A 86 1.287 -12.930 -7.538 1.00 3.12 H new ATOM 0 HG12 ILE A 86 4.024 -13.124 -7.787 1.00 10.53 H new ATOM 0 HG13 ILE A 86 3.664 -14.536 -6.813 1.00 10.53 H new ATOM 0 HG21 ILE A 86 2.945 -11.130 -7.256 1.00 65.52 H new ATOM 0 HG22 ILE A 86 1.750 -11.135 -5.937 1.00 65.52 H new ATOM 0 HG23 ILE A 86 3.383 -11.787 -5.661 1.00 65.52 H new ATOM 0 HD11 ILE A 86 3.640 -15.086 -9.196 1.00 44.24 H new ATOM 0 HD12 ILE A 86 2.018 -15.291 -8.492 1.00 44.24 H new ATOM 0 HD13 ILE A 86 2.384 -13.857 -9.481 1.00 44.24 H new ATOM 1352 N LEU A 87 -0.684 -12.991 -5.547 1.00 30.54 N ATOM 1353 CA LEU A 87 -1.813 -12.254 -4.990 1.00 40.44 C ATOM 1354 C LEU A 87 -2.078 -12.670 -3.547 1.00 43.11 C ATOM 1355 O LEU A 87 -2.454 -11.848 -2.711 1.00 1.22 O ATOM 1356 CB LEU A 87 -3.065 -12.484 -5.838 1.00 35.33 C ATOM 1357 CG LEU A 87 -4.309 -11.696 -5.426 1.00 12.13 C ATOM 1358 CD1 LEU A 87 -4.198 -10.249 -5.879 1.00 51.41 C ATOM 1359 CD2 LEU A 87 -5.563 -12.341 -5.997 1.00 72.13 C ATOM 0 H LEU A 87 -0.877 -13.448 -6.438 1.00 30.54 H new ATOM 0 HA LEU A 87 -1.563 -11.193 -5.001 1.00 40.44 H new ATOM 0 HB2 LEU A 87 -2.829 -12.236 -6.873 1.00 35.33 H new ATOM 0 HB3 LEU A 87 -3.307 -13.546 -5.812 1.00 35.33 H new ATOM 0 HG LEU A 87 -4.381 -11.710 -4.338 1.00 12.13 H new ATOM 0 HD11 LEU A 87 -5.092 -9.704 -5.577 1.00 51.41 H new ATOM 0 HD12 LEU A 87 -3.321 -9.791 -5.421 1.00 51.41 H new ATOM 0 HD13 LEU A 87 -4.101 -10.214 -6.964 1.00 51.41 H new ATOM 0 HD21 LEU A 87 -6.438 -11.767 -5.693 1.00 72.13 H new ATOM 0 HD22 LEU A 87 -5.500 -12.358 -7.085 1.00 72.13 H new ATOM 0 HD23 LEU A 87 -5.651 -13.361 -5.622 1.00 72.13 H new ATOM 1371 N THR A 88 -1.877 -13.952 -3.260 1.00 61.51 N ATOM 1372 CA THR A 88 -2.093 -14.478 -1.918 1.00 63.20 C ATOM 1373 C THR A 88 -1.358 -13.643 -0.876 1.00 22.23 C ATOM 1374 O THR A 88 -1.808 -13.519 0.262 1.00 15.44 O ATOM 1375 CB THR A 88 -1.628 -15.943 -1.807 1.00 0.51 C ATOM 1376 OG1 THR A 88 -2.309 -16.748 -2.776 1.00 12.44 O ATOM 1377 CG2 THR A 88 -1.890 -16.489 -0.412 1.00 2.05 C ATOM 0 H THR A 88 -1.565 -14.646 -3.939 1.00 61.51 H new ATOM 0 HA THR A 88 -3.165 -14.430 -1.728 1.00 63.20 H new ATOM 0 HB THR A 88 -0.555 -15.976 -1.997 1.00 0.51 H new ATOM 0 HG1 THR A 88 -1.965 -16.544 -3.671 1.00 12.44 H new ATOM 0 HG21 THR A 88 -1.554 -17.524 -0.357 1.00 2.05 H new ATOM 0 HG22 THR A 88 -1.347 -15.892 0.320 1.00 2.05 H new ATOM 0 HG23 THR A 88 -2.958 -16.443 -0.198 1.00 2.05 H new ATOM 1385 N GLU A 89 -0.225 -13.073 -1.273 1.00 5.22 N ATOM 1386 CA GLU A 89 0.572 -12.249 -0.371 1.00 23.30 C ATOM 1387 C GLU A 89 0.275 -10.767 -0.582 1.00 30.53 C ATOM 1388 O GLU A 89 0.172 -10.001 0.377 1.00 45.42 O ATOM 1389 CB GLU A 89 2.064 -12.517 -0.584 1.00 53.20 C ATOM 1390 CG GLU A 89 2.448 -13.978 -0.427 1.00 64.41 C ATOM 1391 CD GLU A 89 3.760 -14.160 0.312 1.00 71.31 C ATOM 1392 OE1 GLU A 89 4.689 -14.760 -0.267 1.00 25.32 O ATOM 1393 OE2 GLU A 89 3.856 -13.702 1.470 1.00 42.13 O ATOM 0 H GLU A 89 0.162 -13.166 -2.212 1.00 5.22 H new ATOM 0 HA GLU A 89 0.305 -12.513 0.652 1.00 23.30 H new ATOM 0 HB2 GLU A 89 2.346 -12.181 -1.582 1.00 53.20 H new ATOM 0 HB3 GLU A 89 2.637 -11.921 0.127 1.00 53.20 H new ATOM 0 HG2 GLU A 89 1.657 -14.502 0.110 1.00 64.41 H new ATOM 0 HG3 GLU A 89 2.523 -14.438 -1.412 1.00 64.41 H new ATOM 1400 N LEU A 90 0.138 -10.371 -1.842 1.00 62.22 N ATOM 1401 CA LEU A 90 -0.147 -8.981 -2.181 1.00 21.05 C ATOM 1402 C LEU A 90 -1.340 -8.461 -1.386 1.00 13.24 C ATOM 1403 O LEU A 90 -1.187 -7.627 -0.493 1.00 72.32 O ATOM 1404 CB LEU A 90 -0.420 -8.846 -3.680 1.00 32.15 C ATOM 1405 CG LEU A 90 0.775 -9.082 -4.604 1.00 31.34 C ATOM 1406 CD1 LEU A 90 0.381 -8.854 -6.055 1.00 0.44 C ATOM 1407 CD2 LEU A 90 1.936 -8.178 -4.215 1.00 70.54 C ATOM 0 H LEU A 90 0.220 -10.993 -2.646 1.00 62.22 H new ATOM 0 HA LEU A 90 0.727 -8.383 -1.923 1.00 21.05 H new ATOM 0 HB2 LEU A 90 -1.207 -9.550 -3.950 1.00 32.15 H new ATOM 0 HB3 LEU A 90 -0.808 -7.845 -3.870 1.00 32.15 H new ATOM 0 HG LEU A 90 1.096 -10.118 -4.495 1.00 31.34 H new ATOM 0 HD11 LEU A 90 1.244 -9.027 -6.698 1.00 0.44 H new ATOM 0 HD12 LEU A 90 -0.418 -9.543 -6.328 1.00 0.44 H new ATOM 0 HD13 LEU A 90 0.034 -7.828 -6.181 1.00 0.44 H new ATOM 0 HD21 LEU A 90 2.778 -8.359 -4.883 1.00 70.54 H new ATOM 0 HD22 LEU A 90 1.628 -7.135 -4.294 1.00 70.54 H new ATOM 0 HD23 LEU A 90 2.235 -8.391 -3.189 1.00 70.54 H new ATOM 1419 N GLN A 91 -2.527 -8.960 -1.715 1.00 31.32 N ATOM 1420 CA GLN A 91 -3.746 -8.547 -1.030 1.00 51.50 C ATOM 1421 C GLN A 91 -4.115 -9.536 0.070 1.00 73.41 C ATOM 1422 O GLN A 91 -5.292 -9.738 0.369 1.00 75.31 O ATOM 1423 CB GLN A 91 -4.899 -8.421 -2.027 1.00 50.15 C ATOM 1424 CG GLN A 91 -5.227 -9.720 -2.745 1.00 62.23 C ATOM 1425 CD GLN A 91 -6.373 -10.472 -2.097 1.00 42.24 C ATOM 1426 OE1 GLN A 91 -7.520 -10.026 -2.131 1.00 33.24 O ATOM 1427 NE2 GLN A 91 -6.068 -11.619 -1.503 1.00 63.41 N ATOM 0 H GLN A 91 -2.670 -9.651 -2.452 1.00 31.32 H new ATOM 0 HA GLN A 91 -3.563 -7.575 -0.572 1.00 51.50 H new ATOM 0 HB2 GLN A 91 -5.787 -8.072 -1.500 1.00 50.15 H new ATOM 0 HB3 GLN A 91 -4.648 -7.660 -2.766 1.00 50.15 H new ATOM 0 HG2 GLN A 91 -5.481 -9.503 -3.783 1.00 62.23 H new ATOM 0 HG3 GLN A 91 -4.342 -10.356 -2.759 1.00 62.23 H new ATOM 0 HE21 GLN A 91 -5.103 -11.951 -1.499 1.00 63.41 H new ATOM 0 HE22 GLN A 91 -6.798 -12.169 -1.050 1.00 63.41 H new ATOM 1436 N LYS A 92 -3.102 -10.152 0.669 1.00 21.14 N ATOM 1437 CA LYS A 92 -3.319 -11.121 1.737 1.00 5.14 C ATOM 1438 C LYS A 92 -4.242 -10.551 2.810 1.00 63.33 C ATOM 1439 O LYS A 92 -4.176 -9.365 3.133 1.00 53.14 O ATOM 1440 CB LYS A 92 -1.983 -11.528 2.363 1.00 3.03 C ATOM 1441 CG LYS A 92 -1.399 -10.475 3.290 1.00 70.25 C ATOM 1442 CD LYS A 92 0.091 -10.684 3.502 1.00 40.30 C ATOM 1443 CE LYS A 92 0.379 -12.032 4.145 1.00 41.31 C ATOM 1444 NZ LYS A 92 -0.206 -12.131 5.510 1.00 34.35 N ATOM 0 H LYS A 92 -2.122 -9.997 0.433 1.00 21.14 H new ATOM 0 HA LYS A 92 -3.794 -12.001 1.304 1.00 5.14 H new ATOM 0 HB2 LYS A 92 -2.120 -12.455 2.920 1.00 3.03 H new ATOM 0 HB3 LYS A 92 -1.267 -11.737 1.568 1.00 3.03 H new ATOM 0 HG2 LYS A 92 -1.572 -9.484 2.871 1.00 70.25 H new ATOM 0 HG3 LYS A 92 -1.913 -10.509 4.251 1.00 70.25 H new ATOM 0 HD2 LYS A 92 0.608 -10.618 2.545 1.00 40.30 H new ATOM 0 HD3 LYS A 92 0.485 -9.887 4.133 1.00 40.30 H new ATOM 0 HE2 LYS A 92 -0.025 -12.827 3.518 1.00 41.31 H new ATOM 0 HE3 LYS A 92 1.457 -12.186 4.200 1.00 41.31 H new ATOM 0 HZ1 LYS A 92 0.151 -12.988 5.979 1.00 34.35 H new ATOM 0 HZ2 LYS A 92 0.064 -11.294 6.065 1.00 34.35 H new ATOM 0 HZ3 LYS A 92 -1.243 -12.180 5.441 1.00 34.35 H new