USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=15 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 15 SER OG : rot 68:sc= 0.448 USER MOD Set 1.2: A 37 GLN : amide:sc= -0.0294 X(o=0.42,f=0.42) USER MOD Set 2.1: A 1 MET CE :methyl 153:sc= -0.243 (180deg=-1.49) USER MOD Set 2.2: A 3 GLN : amide:sc= 0 K(o=-0.24,f=-2.1) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -127:sc= -0.404 (180deg=-3.77!) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0564 USER MOD Single : A 19 ASN : amide:sc= -2.09! C(o=-2.1!,f=-6.4!) USER MOD Single : A 20 ASN : amide:sc= 0.585 K(o=0.58,f=-0.022) USER MOD Single : A 25 MET CE :methyl -146:sc= -2.55! (180deg=-4.18) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.149 X(o=-0.15,f=0.014) USER MOD Single : A 30 ASN : amide:sc= -0.386 K(o=-0.39,f=-1.1) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 49 THR OG1 : rot 120:sc= -0.0682 USER MOD Single : A 55 THR OG1 : rot -102:sc= 0.789 USER MOD Single : A 56 THR OG1 : rot -100:sc= 0.9 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 X(o=0,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.942 X(o=-0.94,f=-0.83!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0867 USER MOD Single : A 83 LYS NZ :NH3+ -150:sc= 0.158 (180deg=-0.154) USER MOD Single : A 84 GLN : amide:sc= -0.406 X(o=-0.41,f=0) USER MOD Single : A 85 GLN : amide:sc= -0.409 X(o=-0.41,f=-0.056) USER MOD Single : A 88 THR OG1 : rot 180:sc=-0.000806 USER MOD Single : A 91 GLN : amide:sc= -0.0347 X(o=-0.035,f=-0.52) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.617 0.762 -0.471 1.00 71.33 N ATOM 2 CA MET A 1 2.425 0.520 -1.661 1.00 22.53 C ATOM 3 C MET A 1 3.150 -0.819 -1.562 1.00 74.24 C ATOM 4 O MET A 1 3.607 -1.212 -0.489 1.00 44.11 O ATOM 5 CB MET A 1 3.440 1.649 -1.853 1.00 35.43 C ATOM 6 CG MET A 1 3.922 1.795 -3.287 1.00 21.33 C ATOM 7 SD MET A 1 5.434 2.769 -3.415 1.00 21.41 S ATOM 8 CE MET A 1 6.588 1.719 -2.535 1.00 3.44 C ATOM 0 H1 MET A 1 1.133 1.678 -0.560 1.00 71.33 H new ATOM 0 H2 MET A 1 0.910 0.005 -0.371 1.00 71.33 H new ATOM 0 H3 MET A 1 2.231 0.775 0.369 1.00 71.33 H new ATOM 0 HA MET A 1 1.758 0.490 -2.523 1.00 22.53 H new ATOM 0 HB2 MET A 1 2.991 2.589 -1.532 1.00 35.43 H new ATOM 0 HB3 MET A 1 4.299 1.469 -1.206 1.00 35.43 H new ATOM 0 HG2 MET A 1 4.095 0.806 -3.711 1.00 21.33 H new ATOM 0 HG3 MET A 1 3.140 2.265 -3.883 1.00 21.33 H new ATOM 0 HE1 MET A 1 7.597 1.895 -2.908 1.00 3.44 H new ATOM 0 HE2 MET A 1 6.549 1.948 -1.470 1.00 3.44 H new ATOM 0 HE3 MET A 1 6.321 0.674 -2.691 1.00 3.44 H new ATOM 18 N LYS A 2 3.250 -1.517 -2.689 1.00 1.41 N ATOM 19 CA LYS A 2 3.920 -2.811 -2.731 1.00 34.22 C ATOM 20 C LYS A 2 4.981 -2.840 -3.826 1.00 54.12 C ATOM 21 O LYS A 2 4.762 -3.401 -4.899 1.00 72.23 O ATOM 22 CB LYS A 2 2.900 -3.928 -2.964 1.00 60.43 C ATOM 23 CG LYS A 2 2.295 -4.477 -1.684 1.00 23.44 C ATOM 24 CD LYS A 2 3.312 -5.276 -0.884 1.00 53.45 C ATOM 25 CE LYS A 2 3.398 -6.714 -1.372 1.00 3.15 C ATOM 26 NZ LYS A 2 3.691 -7.660 -0.259 1.00 11.50 N ATOM 0 H LYS A 2 2.875 -1.207 -3.586 1.00 1.41 H new ATOM 0 HA LYS A 2 4.411 -2.969 -1.771 1.00 34.22 H new ATOM 0 HB2 LYS A 2 2.100 -3.551 -3.601 1.00 60.43 H new ATOM 0 HB3 LYS A 2 3.382 -4.742 -3.506 1.00 60.43 H new ATOM 0 HG2 LYS A 2 1.918 -3.654 -1.077 1.00 23.44 H new ATOM 0 HG3 LYS A 2 1.442 -5.111 -1.926 1.00 23.44 H new ATOM 0 HD2 LYS A 2 4.291 -4.804 -0.964 1.00 53.45 H new ATOM 0 HD3 LYS A 2 3.037 -5.264 0.171 1.00 53.45 H new ATOM 0 HE2 LYS A 2 2.458 -6.993 -1.848 1.00 3.15 H new ATOM 0 HE3 LYS A 2 4.176 -6.794 -2.131 1.00 3.15 H new ATOM 0 HZ1 LYS A 2 4.516 -8.242 -0.507 1.00 11.50 H new ATOM 0 HZ2 LYS A 2 3.894 -7.123 0.608 1.00 11.50 H new ATOM 0 HZ3 LYS A 2 2.868 -8.276 -0.101 1.00 11.50 H new ATOM 40 N GLN A 3 6.129 -2.233 -3.547 1.00 45.30 N ATOM 41 CA GLN A 3 7.224 -2.190 -4.509 1.00 61.14 C ATOM 42 C GLN A 3 7.580 -3.593 -4.991 1.00 51.44 C ATOM 43 O GLN A 3 8.054 -4.425 -4.218 1.00 11.44 O ATOM 44 CB GLN A 3 8.453 -1.525 -3.887 1.00 52.20 C ATOM 45 CG GLN A 3 9.424 -0.961 -4.912 1.00 11.03 C ATOM 46 CD GLN A 3 10.362 0.072 -4.320 1.00 0.42 C ATOM 47 OE1 GLN A 3 9.924 1.059 -3.728 1.00 35.14 O ATOM 48 NE2 GLN A 3 11.662 -0.149 -4.477 1.00 11.11 N ATOM 0 H GLN A 3 6.326 -1.764 -2.663 1.00 45.30 H new ATOM 0 HA GLN A 3 6.897 -1.602 -5.367 1.00 61.14 H new ATOM 0 HB2 GLN A 3 8.126 -0.721 -3.228 1.00 52.20 H new ATOM 0 HB3 GLN A 3 8.975 -2.253 -3.267 1.00 52.20 H new ATOM 0 HG2 GLN A 3 10.009 -1.775 -5.339 1.00 11.03 H new ATOM 0 HG3 GLN A 3 8.862 -0.510 -5.730 1.00 11.03 H new ATOM 0 HE21 GLN A 3 11.982 -0.980 -4.974 1.00 11.11 H new ATOM 0 HE22 GLN A 3 12.341 0.512 -4.100 1.00 11.11 H new ATOM 57 N VAL A 4 7.348 -3.849 -6.275 1.00 11.40 N ATOM 58 CA VAL A 4 7.645 -5.150 -6.861 1.00 33.43 C ATOM 59 C VAL A 4 8.657 -5.025 -7.994 1.00 21.33 C ATOM 60 O VAL A 4 8.459 -4.258 -8.936 1.00 52.25 O ATOM 61 CB VAL A 4 6.370 -5.828 -7.398 1.00 41.34 C ATOM 62 CG1 VAL A 4 6.706 -7.167 -8.037 1.00 53.44 C ATOM 63 CG2 VAL A 4 5.349 -6.000 -6.284 1.00 74.35 C ATOM 0 H VAL A 4 6.955 -3.172 -6.929 1.00 11.40 H new ATOM 0 HA VAL A 4 8.068 -5.765 -6.067 1.00 33.43 H new ATOM 0 HB VAL A 4 5.933 -5.187 -8.164 1.00 41.34 H new ATOM 0 HG11 VAL A 4 5.793 -7.631 -8.410 1.00 53.44 H new ATOM 0 HG12 VAL A 4 7.399 -7.012 -8.864 1.00 53.44 H new ATOM 0 HG13 VAL A 4 7.167 -7.819 -7.295 1.00 53.44 H new ATOM 0 HG21 VAL A 4 4.455 -6.480 -6.681 1.00 74.35 H new ATOM 0 HG22 VAL A 4 5.773 -6.620 -5.494 1.00 74.35 H new ATOM 0 HG23 VAL A 4 5.086 -5.023 -5.877 1.00 74.35 H new ATOM 73 N LEU A 5 9.743 -5.785 -7.896 1.00 12.42 N ATOM 74 CA LEU A 5 10.788 -5.760 -8.913 1.00 50.12 C ATOM 75 C LEU A 5 10.568 -6.860 -9.947 1.00 30.04 C ATOM 76 O LEU A 5 9.738 -7.749 -9.755 1.00 41.05 O ATOM 77 CB LEU A 5 12.163 -5.922 -8.264 1.00 23.23 C ATOM 78 CG LEU A 5 12.644 -4.749 -7.409 1.00 23.45 C ATOM 79 CD1 LEU A 5 14.065 -4.990 -6.923 1.00 22.31 C ATOM 80 CD2 LEU A 5 12.560 -3.448 -8.193 1.00 1.25 C ATOM 0 H LEU A 5 9.922 -6.426 -7.123 1.00 12.42 H new ATOM 0 HA LEU A 5 10.744 -4.796 -9.420 1.00 50.12 H new ATOM 0 HB2 LEU A 5 12.146 -6.816 -7.641 1.00 23.23 H new ATOM 0 HB3 LEU A 5 12.896 -6.096 -9.052 1.00 23.23 H new ATOM 0 HG LEU A 5 11.993 -4.668 -6.538 1.00 23.45 H new ATOM 0 HD11 LEU A 5 14.390 -4.145 -6.316 1.00 22.31 H new ATOM 0 HD12 LEU A 5 14.095 -5.900 -6.324 1.00 22.31 H new ATOM 0 HD13 LEU A 5 14.729 -5.098 -7.780 1.00 22.31 H new ATOM 0 HD21 LEU A 5 12.906 -2.624 -7.569 1.00 1.25 H new ATOM 0 HD22 LEU A 5 13.187 -3.518 -9.082 1.00 1.25 H new ATOM 0 HD23 LEU A 5 11.527 -3.269 -8.490 1.00 1.25 H new ATOM 92 N VAL A 6 11.319 -6.795 -11.042 1.00 12.03 N ATOM 93 CA VAL A 6 11.209 -7.787 -12.104 1.00 75.32 C ATOM 94 C VAL A 6 12.537 -7.963 -12.832 1.00 55.11 C ATOM 95 O VAL A 6 12.759 -7.375 -13.890 1.00 13.41 O ATOM 96 CB VAL A 6 10.123 -7.398 -13.126 1.00 5.44 C ATOM 97 CG1 VAL A 6 10.069 -8.410 -14.259 1.00 72.33 C ATOM 98 CG2 VAL A 6 8.769 -7.275 -12.443 1.00 64.33 C ATOM 0 H VAL A 6 12.010 -6.065 -11.216 1.00 12.03 H new ATOM 0 HA VAL A 6 10.931 -8.728 -11.630 1.00 75.32 H new ATOM 0 HB VAL A 6 10.379 -6.427 -13.551 1.00 5.44 H new ATOM 0 HG11 VAL A 6 9.296 -8.119 -14.971 1.00 72.33 H new ATOM 0 HG12 VAL A 6 11.034 -8.442 -14.764 1.00 72.33 H new ATOM 0 HG13 VAL A 6 9.838 -9.396 -13.856 1.00 72.33 H new ATOM 0 HG21 VAL A 6 8.014 -7.000 -13.179 1.00 64.33 H new ATOM 0 HG22 VAL A 6 8.502 -8.229 -11.989 1.00 64.33 H new ATOM 0 HG23 VAL A 6 8.819 -6.508 -11.671 1.00 64.33 H new ATOM 108 N ALA A 7 13.416 -8.777 -12.258 1.00 44.21 N ATOM 109 CA ALA A 7 14.722 -9.032 -12.853 1.00 62.44 C ATOM 110 C ALA A 7 14.645 -10.152 -13.886 1.00 22.12 C ATOM 111 O ALA A 7 14.940 -11.309 -13.584 1.00 33.14 O ATOM 112 CB ALA A 7 15.737 -9.377 -11.773 1.00 15.10 C ATOM 0 H ALA A 7 13.248 -9.271 -11.382 1.00 44.21 H new ATOM 0 HA ALA A 7 15.045 -8.124 -13.362 1.00 62.44 H new ATOM 0 HB1 ALA A 7 16.707 -9.565 -12.232 1.00 15.10 H new ATOM 0 HB2 ALA A 7 15.821 -8.545 -11.074 1.00 15.10 H new ATOM 0 HB3 ALA A 7 15.410 -10.269 -11.238 1.00 15.10 H new ATOM 118 N CYS A 8 14.247 -9.801 -15.104 1.00 24.15 N ATOM 119 CA CYS A 8 14.130 -10.778 -16.181 1.00 2.43 C ATOM 120 C CYS A 8 15.488 -11.389 -16.511 1.00 1.24 C ATOM 121 O CYS A 8 15.596 -12.588 -16.763 1.00 53.03 O ATOM 122 CB CYS A 8 13.535 -10.123 -17.428 1.00 44.23 C ATOM 123 SG CYS A 8 13.492 -11.201 -18.879 1.00 22.52 S ATOM 0 H CYS A 8 14.000 -8.848 -15.370 1.00 24.15 H new ATOM 0 HA CYS A 8 13.466 -11.575 -15.846 1.00 2.43 H new ATOM 0 HB2 CYS A 8 12.521 -9.794 -17.203 1.00 44.23 H new ATOM 0 HB3 CYS A 8 14.114 -9.231 -17.668 1.00 44.23 H new ATOM 0 HG CYS A 8 12.970 -10.559 -19.882 1.00 22.52 H new ATOM 196 N SER A 15 11.712 -7.128 -20.636 1.00 1.35 N ATOM 197 CA SER A 15 10.836 -7.489 -19.527 1.00 71.04 C ATOM 198 C SER A 15 9.583 -6.618 -19.519 1.00 70.53 C ATOM 199 O SER A 15 9.091 -6.227 -18.461 1.00 33.05 O ATOM 200 CB SER A 15 11.577 -7.348 -18.196 1.00 62.25 C ATOM 201 OG SER A 15 11.655 -5.991 -17.798 1.00 4.35 O ATOM 0 HA SER A 15 10.535 -8.528 -19.658 1.00 71.04 H new ATOM 0 HB2 SER A 15 11.064 -7.927 -17.428 1.00 62.25 H new ATOM 0 HB3 SER A 15 12.581 -7.761 -18.290 1.00 62.25 H new ATOM 0 HG SER A 15 10.760 -5.667 -17.565 1.00 4.35 H new ATOM 207 N THR A 16 9.071 -6.318 -20.709 1.00 32.31 N ATOM 208 CA THR A 16 7.877 -5.493 -20.841 1.00 35.53 C ATOM 209 C THR A 16 6.617 -6.352 -20.883 1.00 4.33 C ATOM 210 O THR A 16 5.584 -5.984 -20.323 1.00 25.22 O ATOM 211 CB THR A 16 7.933 -4.622 -22.110 1.00 32.32 C ATOM 212 OG1 THR A 16 9.100 -4.945 -22.874 1.00 52.02 O ATOM 213 CG2 THR A 16 7.948 -3.144 -21.751 1.00 70.01 C ATOM 0 H THR A 16 9.465 -6.634 -21.595 1.00 32.31 H new ATOM 0 HA THR A 16 7.843 -4.844 -19.966 1.00 35.53 H new ATOM 0 HB THR A 16 7.042 -4.826 -22.704 1.00 32.32 H new ATOM 0 HG1 THR A 16 9.128 -4.388 -23.680 1.00 52.02 H new ATOM 0 HG21 THR A 16 7.988 -2.548 -22.663 1.00 70.01 H new ATOM 0 HG22 THR A 16 7.044 -2.896 -21.194 1.00 70.01 H new ATOM 0 HG23 THR A 16 8.823 -2.927 -21.138 1.00 70.01 H new ATOM 221 N VAL A 17 6.710 -7.498 -21.549 1.00 40.05 N ATOM 222 CA VAL A 17 5.578 -8.410 -21.663 1.00 22.12 C ATOM 223 C VAL A 17 4.994 -8.733 -20.292 1.00 74.34 C ATOM 224 O VAL A 17 3.782 -8.892 -20.144 1.00 72.11 O ATOM 225 CB VAL A 17 5.983 -9.723 -22.359 1.00 20.13 C ATOM 226 CG1 VAL A 17 4.806 -10.686 -22.409 1.00 44.32 C ATOM 227 CG2 VAL A 17 6.514 -9.443 -23.757 1.00 34.14 C ATOM 0 H VAL A 17 7.558 -7.817 -22.018 1.00 40.05 H new ATOM 0 HA VAL A 17 4.824 -7.906 -22.267 1.00 22.12 H new ATOM 0 HB VAL A 17 6.779 -10.191 -21.780 1.00 20.13 H new ATOM 0 HG11 VAL A 17 5.111 -11.608 -22.904 1.00 44.32 H new ATOM 0 HG12 VAL A 17 4.476 -10.911 -21.395 1.00 44.32 H new ATOM 0 HG13 VAL A 17 3.986 -10.230 -22.964 1.00 44.32 H new ATOM 0 HG21 VAL A 17 6.795 -10.382 -24.234 1.00 34.14 H new ATOM 0 HG22 VAL A 17 5.741 -8.953 -24.349 1.00 34.14 H new ATOM 0 HG23 VAL A 17 7.387 -8.793 -23.691 1.00 34.14 H new ATOM 237 N VAL A 18 5.863 -8.829 -19.292 1.00 23.14 N ATOM 238 CA VAL A 18 5.434 -9.132 -17.932 1.00 15.13 C ATOM 239 C VAL A 18 4.689 -7.953 -17.315 1.00 42.22 C ATOM 240 O VAL A 18 3.504 -8.050 -17.001 1.00 53.25 O ATOM 241 CB VAL A 18 6.630 -9.496 -17.033 1.00 22.11 C ATOM 242 CG1 VAL A 18 6.150 -9.949 -15.662 1.00 45.43 C ATOM 243 CG2 VAL A 18 7.482 -10.571 -17.691 1.00 21.25 C ATOM 0 H VAL A 18 6.869 -8.701 -19.398 1.00 23.14 H new ATOM 0 HA VAL A 18 4.764 -9.989 -17.996 1.00 15.13 H new ATOM 0 HB VAL A 18 7.246 -8.607 -16.899 1.00 22.11 H new ATOM 0 HG11 VAL A 18 7.009 -10.202 -15.041 1.00 45.43 H new ATOM 0 HG12 VAL A 18 5.585 -9.145 -15.190 1.00 45.43 H new ATOM 0 HG13 VAL A 18 5.511 -10.825 -15.771 1.00 45.43 H new ATOM 0 HG21 VAL A 18 8.323 -10.816 -17.042 1.00 21.25 H new ATOM 0 HG22 VAL A 18 6.878 -11.463 -17.856 1.00 21.25 H new ATOM 0 HG23 VAL A 18 7.856 -10.204 -18.647 1.00 21.25 H new ATOM 253 N ASN A 19 5.394 -6.839 -17.145 1.00 0.11 N ATOM 254 CA ASN A 19 4.800 -5.640 -16.565 1.00 51.45 C ATOM 255 C ASN A 19 3.506 -5.271 -17.285 1.00 61.34 C ATOM 256 O ASN A 19 2.507 -4.934 -16.653 1.00 15.32 O ATOM 257 CB ASN A 19 5.786 -4.472 -16.636 1.00 10.14 C ATOM 258 CG ASN A 19 5.118 -3.135 -16.377 1.00 23.13 C ATOM 259 OD1 ASN A 19 4.428 -2.958 -15.373 1.00 53.41 O ATOM 260 ND2 ASN A 19 5.322 -2.187 -17.284 1.00 12.23 N ATOM 0 H ASN A 19 6.377 -6.742 -17.401 1.00 0.11 H new ATOM 0 HA ASN A 19 4.568 -5.849 -15.521 1.00 51.45 H new ATOM 0 HB2 ASN A 19 6.580 -4.626 -15.906 1.00 10.14 H new ATOM 0 HB3 ASN A 19 6.256 -4.456 -17.619 1.00 10.14 H new ATOM 0 HD21 ASN A 19 4.899 -1.267 -17.164 1.00 12.23 H new ATOM 0 HD22 ASN A 19 5.902 -2.379 -18.101 1.00 12.23 H new ATOM 267 N ASN A 20 3.534 -5.340 -18.612 1.00 53.54 N ATOM 268 CA ASN A 20 2.363 -5.013 -19.419 1.00 22.30 C ATOM 269 C ASN A 20 1.193 -5.930 -19.075 1.00 62.14 C ATOM 270 O ASN A 20 0.031 -5.542 -19.196 1.00 25.34 O ATOM 271 CB ASN A 20 2.696 -5.129 -20.908 1.00 11.40 C ATOM 272 CG ASN A 20 3.299 -3.854 -21.466 1.00 55.12 C ATOM 273 OD1 ASN A 20 2.666 -3.146 -22.250 1.00 73.41 O ATOM 274 ND2 ASN A 20 4.528 -3.555 -21.064 1.00 23.34 N ATOM 0 H ASN A 20 4.354 -5.619 -19.151 1.00 53.54 H new ATOM 0 HA ASN A 20 2.074 -3.986 -19.197 1.00 22.30 H new ATOM 0 HB2 ASN A 20 3.393 -5.954 -21.059 1.00 11.40 H new ATOM 0 HB3 ASN A 20 1.790 -5.372 -21.462 1.00 11.40 H new ATOM 0 HD21 ASN A 20 4.985 -2.710 -21.406 1.00 23.34 H new ATOM 0 HD22 ASN A 20 5.016 -4.171 -20.413 1.00 23.34 H new ATOM 281 N ALA A 21 1.509 -7.148 -18.647 1.00 12.24 N ATOM 282 CA ALA A 21 0.484 -8.119 -18.283 1.00 4.11 C ATOM 283 C ALA A 21 0.040 -7.933 -16.836 1.00 5.30 C ATOM 284 O ALA A 21 -1.146 -8.032 -16.524 1.00 34.15 O ATOM 285 CB ALA A 21 0.998 -9.534 -18.502 1.00 32.45 C ATOM 0 H ALA A 21 2.466 -7.486 -18.544 1.00 12.24 H new ATOM 0 HA ALA A 21 -0.382 -7.955 -18.924 1.00 4.11 H new ATOM 0 HB1 ALA A 21 0.223 -10.249 -18.226 1.00 32.45 H new ATOM 0 HB2 ALA A 21 1.259 -9.668 -19.552 1.00 32.45 H new ATOM 0 HB3 ALA A 21 1.881 -9.700 -17.885 1.00 32.45 H new ATOM 291 N ILE A 22 1.000 -7.663 -15.958 1.00 23.14 N ATOM 292 CA ILE A 22 0.707 -7.463 -14.544 1.00 1.11 C ATOM 293 C ILE A 22 -0.075 -6.173 -14.322 1.00 53.00 C ATOM 294 O ILE A 22 -0.973 -6.117 -13.482 1.00 60.13 O ATOM 295 CB ILE A 22 1.996 -7.419 -13.702 1.00 61.52 C ATOM 296 CG1 ILE A 22 2.781 -8.723 -13.863 1.00 74.23 C ATOM 297 CG2 ILE A 22 1.665 -7.172 -12.238 1.00 53.22 C ATOM 298 CD1 ILE A 22 1.985 -9.956 -13.495 1.00 63.35 C ATOM 0 H ILE A 22 1.987 -7.578 -16.201 1.00 23.14 H new ATOM 0 HA ILE A 22 0.103 -8.312 -14.224 1.00 1.11 H new ATOM 0 HB ILE A 22 2.616 -6.596 -14.058 1.00 61.52 H new ATOM 0 HG12 ILE A 22 3.115 -8.811 -14.897 1.00 74.23 H new ATOM 0 HG13 ILE A 22 3.675 -8.679 -13.241 1.00 74.23 H new ATOM 0 HG21 ILE A 22 2.586 -7.144 -11.656 1.00 53.22 H new ATOM 0 HG22 ILE A 22 1.144 -6.220 -12.138 1.00 53.22 H new ATOM 0 HG23 ILE A 22 1.027 -7.975 -11.869 1.00 53.22 H new ATOM 0 HD11 ILE A 22 2.603 -10.843 -13.633 1.00 63.35 H new ATOM 0 HD12 ILE A 22 1.673 -9.890 -12.453 1.00 63.35 H new ATOM 0 HD13 ILE A 22 1.104 -10.025 -14.134 1.00 63.35 H new ATOM 310 N GLU A 23 0.271 -5.139 -15.082 1.00 41.13 N ATOM 311 CA GLU A 23 -0.400 -3.849 -14.969 1.00 32.42 C ATOM 312 C GLU A 23 -1.851 -3.949 -15.431 1.00 51.20 C ATOM 313 O GLU A 23 -2.734 -3.291 -14.881 1.00 71.44 O ATOM 314 CB GLU A 23 0.337 -2.791 -15.792 1.00 24.30 C ATOM 315 CG GLU A 23 0.236 -3.007 -17.292 1.00 73.55 C ATOM 316 CD GLU A 23 -0.827 -2.138 -17.936 1.00 44.15 C ATOM 317 OE1 GLU A 23 -0.718 -1.868 -19.151 1.00 24.42 O ATOM 318 OE2 GLU A 23 -1.768 -1.727 -17.225 1.00 65.22 O ATOM 0 H GLU A 23 1.012 -5.169 -15.782 1.00 41.13 H new ATOM 0 HA GLU A 23 -0.390 -3.554 -13.920 1.00 32.42 H new ATOM 0 HB2 GLU A 23 -0.065 -1.808 -15.547 1.00 24.30 H new ATOM 0 HB3 GLU A 23 1.388 -2.786 -15.504 1.00 24.30 H new ATOM 0 HG2 GLU A 23 1.201 -2.795 -17.752 1.00 73.55 H new ATOM 0 HG3 GLU A 23 0.012 -4.055 -17.490 1.00 73.55 H new ATOM 325 N GLU A 24 -2.088 -4.775 -16.445 1.00 62.21 N ATOM 326 CA GLU A 24 -3.431 -4.959 -16.982 1.00 61.40 C ATOM 327 C GLU A 24 -4.351 -5.590 -15.941 1.00 33.01 C ATOM 328 O GLU A 24 -5.485 -5.151 -15.752 1.00 53.34 O ATOM 329 CB GLU A 24 -3.387 -5.834 -18.237 1.00 31.23 C ATOM 330 CG GLU A 24 -4.741 -6.010 -18.904 1.00 1.50 C ATOM 331 CD GLU A 24 -4.724 -7.069 -19.988 1.00 62.34 C ATOM 332 OE1 GLU A 24 -4.342 -8.220 -19.687 1.00 3.51 O ATOM 333 OE2 GLU A 24 -5.092 -6.749 -21.138 1.00 1.03 O ATOM 0 H GLU A 24 -1.368 -5.327 -16.911 1.00 62.21 H new ATOM 0 HA GLU A 24 -3.827 -3.978 -17.245 1.00 61.40 H new ATOM 0 HB2 GLU A 24 -2.693 -5.393 -18.953 1.00 31.23 H new ATOM 0 HB3 GLU A 24 -2.992 -6.815 -17.972 1.00 31.23 H new ATOM 0 HG2 GLU A 24 -5.481 -6.279 -18.150 1.00 1.50 H new ATOM 0 HG3 GLU A 24 -5.056 -5.060 -19.335 1.00 1.50 H new ATOM 340 N MET A 25 -3.854 -6.623 -15.268 1.00 52.05 N ATOM 341 CA MET A 25 -4.631 -7.314 -14.246 1.00 72.00 C ATOM 342 C MET A 25 -4.678 -6.501 -12.956 1.00 41.34 C ATOM 343 O MET A 25 -5.723 -6.396 -12.315 1.00 61.30 O ATOM 344 CB MET A 25 -4.036 -8.696 -13.970 1.00 21.01 C ATOM 345 CG MET A 25 -2.592 -8.652 -13.498 1.00 23.34 C ATOM 346 SD MET A 25 -1.836 -10.288 -13.421 1.00 51.44 S ATOM 347 CE MET A 25 -1.979 -10.806 -15.130 1.00 24.42 C ATOM 0 H MET A 25 -2.917 -7.000 -15.412 1.00 52.05 H new ATOM 0 HA MET A 25 -5.649 -7.432 -14.617 1.00 72.00 H new ATOM 0 HB2 MET A 25 -4.641 -9.199 -13.216 1.00 21.01 H new ATOM 0 HB3 MET A 25 -4.095 -9.296 -14.878 1.00 21.01 H new ATOM 0 HG2 MET A 25 -2.013 -8.020 -14.171 1.00 23.34 H new ATOM 0 HG3 MET A 25 -2.550 -8.190 -12.512 1.00 23.34 H new ATOM 0 HE1 MET A 25 -2.145 -11.882 -15.171 1.00 24.42 H new ATOM 0 HE2 MET A 25 -2.819 -10.291 -15.597 1.00 24.42 H new ATOM 0 HE3 MET A 25 -1.061 -10.560 -15.663 1.00 24.42 H new ATOM 357 N ALA A 26 -3.539 -5.927 -12.582 1.00 40.14 N ATOM 358 CA ALA A 26 -3.451 -5.122 -11.370 1.00 52.24 C ATOM 359 C ALA A 26 -4.490 -4.005 -11.377 1.00 24.12 C ATOM 360 O ALA A 26 -5.096 -3.701 -10.349 1.00 45.52 O ATOM 361 CB ALA A 26 -2.052 -4.543 -11.221 1.00 61.24 C ATOM 0 H ALA A 26 -2.664 -6.005 -13.101 1.00 40.14 H new ATOM 0 HA ALA A 26 -3.657 -5.769 -10.518 1.00 52.24 H new ATOM 0 HB1 ALA A 26 -2.001 -3.944 -10.312 1.00 61.24 H new ATOM 0 HB2 ALA A 26 -1.327 -5.355 -11.162 1.00 61.24 H new ATOM 0 HB3 ALA A 26 -1.825 -3.915 -12.082 1.00 61.24 H new ATOM 367 N LYS A 27 -4.690 -3.397 -12.541 1.00 13.21 N ATOM 368 CA LYS A 27 -5.656 -2.314 -12.682 1.00 50.51 C ATOM 369 C LYS A 27 -7.064 -2.792 -12.344 1.00 72.42 C ATOM 370 O LYS A 27 -7.844 -2.068 -11.726 1.00 25.31 O ATOM 371 CB LYS A 27 -5.624 -1.756 -14.107 1.00 64.41 C ATOM 372 CG LYS A 27 -4.418 -0.876 -14.389 1.00 14.14 C ATOM 373 CD LYS A 27 -4.626 0.536 -13.868 1.00 3.43 C ATOM 374 CE LYS A 27 -3.372 1.381 -14.033 1.00 3.11 C ATOM 375 NZ LYS A 27 -3.129 1.742 -15.457 1.00 75.43 N ATOM 0 H LYS A 27 -4.196 -3.636 -13.401 1.00 13.21 H new ATOM 0 HA LYS A 27 -5.382 -1.524 -11.983 1.00 50.51 H new ATOM 0 HB2 LYS A 27 -5.631 -2.586 -14.813 1.00 64.41 H new ATOM 0 HB3 LYS A 27 -6.533 -1.180 -14.283 1.00 64.41 H new ATOM 0 HG2 LYS A 27 -3.533 -1.310 -13.924 1.00 14.14 H new ATOM 0 HG3 LYS A 27 -4.232 -0.845 -15.462 1.00 14.14 H new ATOM 0 HD2 LYS A 27 -5.454 1.003 -14.401 1.00 3.43 H new ATOM 0 HD3 LYS A 27 -4.905 0.499 -12.815 1.00 3.43 H new ATOM 0 HE2 LYS A 27 -3.466 2.290 -13.439 1.00 3.11 H new ATOM 0 HE3 LYS A 27 -2.512 0.834 -13.645 1.00 3.11 H new ATOM 0 HZ1 LYS A 27 -2.266 2.318 -15.527 1.00 75.43 H new ATOM 0 HZ2 LYS A 27 -3.014 0.875 -16.020 1.00 75.43 H new ATOM 0 HZ3 LYS A 27 -3.938 2.286 -15.820 1.00 75.43 H new ATOM 389 N GLU A 28 -7.382 -4.017 -12.753 1.00 12.11 N ATOM 390 CA GLU A 28 -8.697 -4.591 -12.492 1.00 22.31 C ATOM 391 C GLU A 28 -8.888 -4.858 -11.002 1.00 10.34 C ATOM 392 O GLU A 28 -9.984 -4.691 -10.465 1.00 60.13 O ATOM 393 CB GLU A 28 -8.876 -5.890 -13.281 1.00 30.25 C ATOM 394 CG GLU A 28 -10.323 -6.196 -13.630 1.00 1.43 C ATOM 395 CD GLU A 28 -10.464 -7.418 -14.516 1.00 2.11 C ATOM 396 OE1 GLU A 28 -9.443 -7.862 -15.082 1.00 11.02 O ATOM 397 OE2 GLU A 28 -11.596 -7.930 -14.643 1.00 24.50 O ATOM 0 H GLU A 28 -6.748 -4.630 -13.266 1.00 12.11 H new ATOM 0 HA GLU A 28 -9.450 -3.872 -12.814 1.00 22.31 H new ATOM 0 HB2 GLU A 28 -8.294 -5.830 -14.201 1.00 30.25 H new ATOM 0 HB3 GLU A 28 -8.469 -6.717 -12.700 1.00 30.25 H new ATOM 0 HG2 GLU A 28 -10.889 -6.351 -12.712 1.00 1.43 H new ATOM 0 HG3 GLU A 28 -10.761 -5.334 -14.134 1.00 1.43 H new ATOM 404 N HIS A 29 -7.814 -5.273 -10.338 1.00 63.21 N ATOM 405 CA HIS A 29 -7.862 -5.563 -8.909 1.00 73.24 C ATOM 406 C HIS A 29 -7.839 -4.275 -8.093 1.00 13.25 C ATOM 407 O HIS A 29 -8.389 -4.216 -6.993 1.00 44.23 O ATOM 408 CB HIS A 29 -6.688 -6.456 -8.508 1.00 44.05 C ATOM 409 CG HIS A 29 -6.755 -7.833 -9.093 1.00 33.30 C ATOM 410 ND1 HIS A 29 -7.637 -8.797 -8.649 1.00 44.44 N ATOM 411 CD2 HIS A 29 -6.046 -8.406 -10.093 1.00 62.50 C ATOM 412 CE1 HIS A 29 -7.465 -9.903 -9.350 1.00 60.31 C ATOM 413 NE2 HIS A 29 -6.506 -9.693 -10.233 1.00 44.22 N ATOM 0 H HIS A 29 -6.900 -5.416 -10.767 1.00 63.21 H new ATOM 0 HA HIS A 29 -8.794 -6.088 -8.701 1.00 73.24 H new ATOM 0 HB2 HIS A 29 -5.758 -5.982 -8.822 1.00 44.05 H new ATOM 0 HB3 HIS A 29 -6.656 -6.533 -7.421 1.00 44.05 H new ATOM 0 HD2 HIS A 29 -5.264 -7.939 -10.673 1.00 62.50 H new ATOM 0 HE1 HIS A 29 -8.016 -10.823 -9.223 1.00 60.31 H new ATOM 0 HE2 HIS A 29 -6.163 -10.375 -10.909 1.00 44.22 H new ATOM 421 N ASN A 30 -7.199 -3.245 -8.638 1.00 32.43 N ATOM 422 CA ASN A 30 -7.104 -1.958 -7.959 1.00 24.35 C ATOM 423 C ASN A 30 -6.279 -2.078 -6.680 1.00 52.33 C ATOM 424 O ASN A 30 -6.637 -1.517 -5.644 1.00 54.12 O ATOM 425 CB ASN A 30 -8.500 -1.426 -7.630 1.00 71.43 C ATOM 426 CG ASN A 30 -9.459 -1.560 -8.798 1.00 21.34 C ATOM 427 OD1 ASN A 30 -9.277 -0.931 -9.840 1.00 62.41 O ATOM 428 ND2 ASN A 30 -10.487 -2.383 -8.627 1.00 14.22 N ATOM 0 H ASN A 30 -6.739 -3.277 -9.548 1.00 32.43 H new ATOM 0 HA ASN A 30 -6.605 -1.258 -8.629 1.00 24.35 H new ATOM 0 HB2 ASN A 30 -8.899 -1.966 -6.772 1.00 71.43 H new ATOM 0 HB3 ASN A 30 -8.428 -0.378 -7.341 1.00 71.43 H new ATOM 0 HD21 ASN A 30 -11.166 -2.514 -9.377 1.00 14.22 H new ATOM 0 HD22 ASN A 30 -10.598 -2.884 -7.746 1.00 14.22 H new ATOM 435 N ILE A 31 -5.174 -2.811 -6.762 1.00 12.11 N ATOM 436 CA ILE A 31 -4.298 -3.002 -5.613 1.00 33.25 C ATOM 437 C ILE A 31 -3.141 -2.009 -5.632 1.00 33.12 C ATOM 438 O ILE A 31 -2.689 -1.586 -6.696 1.00 14.51 O ATOM 439 CB ILE A 31 -3.731 -4.433 -5.569 1.00 70.30 C ATOM 440 CG1 ILE A 31 -4.860 -5.457 -5.708 1.00 65.12 C ATOM 441 CG2 ILE A 31 -2.961 -4.659 -4.277 1.00 5.43 C ATOM 442 CD1 ILE A 31 -4.370 -6.883 -5.837 1.00 2.53 C ATOM 0 H ILE A 31 -4.864 -3.282 -7.612 1.00 12.11 H new ATOM 0 HA ILE A 31 -4.904 -2.833 -4.723 1.00 33.25 H new ATOM 0 HB ILE A 31 -3.044 -4.561 -6.406 1.00 70.30 H new ATOM 0 HG12 ILE A 31 -5.515 -5.384 -4.840 1.00 65.12 H new ATOM 0 HG13 ILE A 31 -5.461 -5.207 -6.583 1.00 65.12 H new ATOM 0 HG21 ILE A 31 -2.567 -5.675 -4.261 1.00 5.43 H new ATOM 0 HG22 ILE A 31 -2.136 -3.949 -4.216 1.00 5.43 H new ATOM 0 HG23 ILE A 31 -3.627 -4.515 -3.426 1.00 5.43 H new ATOM 0 HD11 ILE A 31 -5.224 -7.554 -5.932 1.00 2.53 H new ATOM 0 HD12 ILE A 31 -3.739 -6.972 -6.721 1.00 2.53 H new ATOM 0 HD13 ILE A 31 -3.794 -7.151 -4.951 1.00 2.53 H new ATOM 454 N LYS A 32 -2.664 -1.642 -4.447 1.00 72.03 N ATOM 455 CA LYS A 32 -1.557 -0.701 -4.326 1.00 51.01 C ATOM 456 C LYS A 32 -0.228 -1.381 -4.640 1.00 12.11 C ATOM 457 O LYS A 32 0.655 -1.465 -3.786 1.00 53.41 O ATOM 458 CB LYS A 32 -1.518 -0.107 -2.916 1.00 43.13 C ATOM 459 CG LYS A 32 -2.879 0.328 -2.401 1.00 42.24 C ATOM 460 CD LYS A 32 -2.763 1.497 -1.437 1.00 64.20 C ATOM 461 CE LYS A 32 -2.436 2.791 -2.166 1.00 72.04 C ATOM 462 NZ LYS A 32 -1.893 3.826 -1.244 1.00 31.15 N ATOM 0 H LYS A 32 -3.027 -1.982 -3.557 1.00 72.03 H new ATOM 0 HA LYS A 32 -1.714 0.101 -5.047 1.00 51.01 H new ATOM 0 HB2 LYS A 32 -1.099 -0.845 -2.232 1.00 43.13 H new ATOM 0 HB3 LYS A 32 -0.846 0.751 -2.911 1.00 43.13 H new ATOM 0 HG2 LYS A 32 -3.514 0.610 -3.241 1.00 42.24 H new ATOM 0 HG3 LYS A 32 -3.365 -0.510 -1.901 1.00 42.24 H new ATOM 0 HD2 LYS A 32 -3.699 1.613 -0.890 1.00 64.20 H new ATOM 0 HD3 LYS A 32 -1.987 1.287 -0.701 1.00 64.20 H new ATOM 0 HE2 LYS A 32 -1.710 2.590 -2.954 1.00 72.04 H new ATOM 0 HE3 LYS A 32 -3.335 3.172 -2.650 1.00 72.04 H new ATOM 0 HZ1 LYS A 32 -1.683 4.692 -1.780 1.00 31.15 H new ATOM 0 HZ2 LYS A 32 -2.595 4.037 -0.506 1.00 31.15 H new ATOM 0 HZ3 LYS A 32 -1.021 3.473 -0.801 1.00 31.15 H new ATOM 476 N VAL A 33 -0.092 -1.864 -5.871 1.00 20.33 N ATOM 477 CA VAL A 33 1.130 -2.534 -6.298 1.00 23.51 C ATOM 478 C VAL A 33 1.960 -1.636 -7.208 1.00 24.11 C ATOM 479 O VAL A 33 1.449 -1.073 -8.176 1.00 14.34 O ATOM 480 CB VAL A 33 0.820 -3.850 -7.037 1.00 43.43 C ATOM 481 CG1 VAL A 33 0.468 -4.949 -6.047 1.00 11.11 C ATOM 482 CG2 VAL A 33 -0.304 -3.644 -8.041 1.00 15.24 C ATOM 0 H VAL A 33 -0.813 -1.804 -6.590 1.00 20.33 H new ATOM 0 HA VAL A 33 1.700 -2.758 -5.396 1.00 23.51 H new ATOM 0 HB VAL A 33 1.712 -4.159 -7.583 1.00 43.43 H new ATOM 0 HG11 VAL A 33 0.252 -5.870 -6.588 1.00 11.11 H new ATOM 0 HG12 VAL A 33 1.308 -5.113 -5.371 1.00 11.11 H new ATOM 0 HG13 VAL A 33 -0.409 -4.653 -5.471 1.00 11.11 H new ATOM 0 HG21 VAL A 33 -0.510 -4.583 -8.554 1.00 15.24 H new ATOM 0 HG22 VAL A 33 -1.201 -3.311 -7.519 1.00 15.24 H new ATOM 0 HG23 VAL A 33 -0.007 -2.890 -8.770 1.00 15.24 H new ATOM 492 N ASP A 34 3.244 -1.507 -6.891 1.00 60.14 N ATOM 493 CA ASP A 34 4.147 -0.678 -7.682 1.00 32.05 C ATOM 494 C ASP A 34 5.075 -1.542 -8.530 1.00 1.51 C ATOM 495 O ASP A 34 6.187 -1.868 -8.114 1.00 43.12 O ATOM 496 CB ASP A 34 4.970 0.231 -6.768 1.00 14.54 C ATOM 497 CG ASP A 34 5.392 1.515 -7.456 1.00 20.51 C ATOM 498 OD1 ASP A 34 6.560 1.922 -7.285 1.00 52.03 O ATOM 499 OD2 ASP A 34 4.554 2.112 -8.164 1.00 65.34 O ATOM 0 H ASP A 34 3.683 -1.965 -6.092 1.00 60.14 H new ATOM 0 HA ASP A 34 3.545 -0.061 -8.349 1.00 32.05 H new ATOM 0 HB2 ASP A 34 4.386 0.473 -5.880 1.00 14.54 H new ATOM 0 HB3 ASP A 34 5.857 -0.305 -6.430 1.00 14.54 H new ATOM 504 N ILE A 35 4.610 -1.909 -9.719 1.00 43.33 N ATOM 505 CA ILE A 35 5.399 -2.734 -10.625 1.00 61.25 C ATOM 506 C ILE A 35 6.696 -2.035 -11.018 1.00 0.20 C ATOM 507 O ILE A 35 6.732 -0.815 -11.181 1.00 61.04 O ATOM 508 CB ILE A 35 4.610 -3.081 -11.902 1.00 32.54 C ATOM 509 CG1 ILE A 35 3.321 -3.825 -11.544 1.00 23.10 C ATOM 510 CG2 ILE A 35 5.466 -3.916 -12.843 1.00 15.11 C ATOM 511 CD1 ILE A 35 2.259 -3.743 -12.618 1.00 32.55 C ATOM 0 H ILE A 35 3.691 -1.648 -10.077 1.00 43.33 H new ATOM 0 HA ILE A 35 5.633 -3.654 -10.090 1.00 61.25 H new ATOM 0 HB ILE A 35 4.344 -2.154 -12.411 1.00 32.54 H new ATOM 0 HG12 ILE A 35 3.556 -4.873 -11.356 1.00 23.10 H new ATOM 0 HG13 ILE A 35 2.921 -3.416 -10.616 1.00 23.10 H new ATOM 0 HG21 ILE A 35 4.895 -4.153 -13.741 1.00 15.11 H new ATOM 0 HG22 ILE A 35 6.358 -3.354 -13.119 1.00 15.11 H new ATOM 0 HG23 ILE A 35 5.759 -4.840 -12.345 1.00 15.11 H new ATOM 0 HD11 ILE A 35 1.374 -4.292 -12.297 1.00 32.55 H new ATOM 0 HD12 ILE A 35 1.996 -2.699 -12.791 1.00 32.55 H new ATOM 0 HD13 ILE A 35 2.641 -4.178 -13.541 1.00 32.55 H new ATOM 523 N LYS A 36 7.760 -2.816 -11.170 1.00 3.33 N ATOM 524 CA LYS A 36 9.060 -2.273 -11.546 1.00 63.44 C ATOM 525 C LYS A 36 9.901 -3.325 -12.263 1.00 45.10 C ATOM 526 O LYS A 36 9.448 -4.447 -12.488 1.00 1.40 O ATOM 527 CB LYS A 36 9.803 -1.768 -10.308 1.00 4.12 C ATOM 528 CG LYS A 36 9.886 -0.254 -10.224 1.00 12.43 C ATOM 529 CD LYS A 36 11.302 0.242 -10.462 1.00 24.13 C ATOM 530 CE LYS A 36 12.062 0.409 -9.154 1.00 75.22 C ATOM 531 NZ LYS A 36 12.984 1.577 -9.193 1.00 55.55 N ATOM 0 H LYS A 36 7.748 -3.827 -11.039 1.00 3.33 H new ATOM 0 HA LYS A 36 8.894 -1.438 -12.227 1.00 63.44 H new ATOM 0 HB2 LYS A 36 9.304 -2.146 -9.416 1.00 4.12 H new ATOM 0 HB3 LYS A 36 10.812 -2.179 -10.307 1.00 4.12 H new ATOM 0 HG2 LYS A 36 9.216 0.189 -10.961 1.00 12.43 H new ATOM 0 HG3 LYS A 36 9.544 0.076 -9.243 1.00 12.43 H new ATOM 0 HD2 LYS A 36 11.832 -0.461 -11.105 1.00 24.13 H new ATOM 0 HD3 LYS A 36 11.271 1.195 -10.990 1.00 24.13 H new ATOM 0 HE2 LYS A 36 11.353 0.533 -8.336 1.00 75.22 H new ATOM 0 HE3 LYS A 36 12.632 -0.497 -8.947 1.00 75.22 H new ATOM 0 HZ1 LYS A 36 13.483 1.656 -8.284 1.00 55.55 H new ATOM 0 HZ2 LYS A 36 13.677 1.447 -9.958 1.00 55.55 H new ATOM 0 HZ3 LYS A 36 12.438 2.445 -9.365 1.00 55.55 H new ATOM 545 N GLN A 37 11.128 -2.954 -12.617 1.00 72.42 N ATOM 546 CA GLN A 37 12.032 -3.867 -13.307 1.00 55.04 C ATOM 547 C GLN A 37 13.467 -3.356 -13.253 1.00 44.34 C ATOM 548 O GLN A 37 13.735 -2.195 -13.567 1.00 63.50 O ATOM 549 CB GLN A 37 11.596 -4.046 -14.763 1.00 32.22 C ATOM 550 CG GLN A 37 11.145 -2.755 -15.426 1.00 51.12 C ATOM 551 CD GLN A 37 11.228 -2.816 -16.939 1.00 12.03 C ATOM 552 OE1 GLN A 37 12.253 -2.477 -17.530 1.00 2.50 O ATOM 553 NE2 GLN A 37 10.146 -3.251 -17.574 1.00 52.40 N ATOM 0 H GLN A 37 11.518 -2.029 -12.438 1.00 72.42 H new ATOM 0 HA GLN A 37 11.990 -4.832 -12.801 1.00 55.04 H new ATOM 0 HB2 GLN A 37 12.425 -4.467 -15.333 1.00 32.22 H new ATOM 0 HB3 GLN A 37 10.781 -4.769 -14.803 1.00 32.22 H new ATOM 0 HG2 GLN A 37 10.118 -2.539 -15.131 1.00 51.12 H new ATOM 0 HG3 GLN A 37 11.761 -1.931 -15.065 1.00 51.12 H new ATOM 0 HE21 GLN A 37 9.318 -3.522 -17.044 1.00 52.40 H new ATOM 0 HE22 GLN A 37 10.143 -3.314 -18.592 1.00 52.40 H new ATOM 562 N ILE A 38 14.386 -4.228 -12.854 1.00 22.33 N ATOM 563 CA ILE A 38 15.795 -3.865 -12.759 1.00 55.45 C ATOM 564 C ILE A 38 16.692 -5.037 -13.142 1.00 53.22 C ATOM 565 O ILE A 38 16.211 -6.093 -13.553 1.00 31.22 O ATOM 566 CB ILE A 38 16.161 -3.395 -11.339 1.00 51.33 C ATOM 567 CG1 ILE A 38 16.312 -4.596 -10.404 1.00 64.22 C ATOM 568 CG2 ILE A 38 15.106 -2.435 -10.810 1.00 53.35 C ATOM 569 CD1 ILE A 38 15.059 -5.436 -10.292 1.00 24.22 C ATOM 0 H ILE A 38 14.180 -5.192 -12.591 1.00 22.33 H new ATOM 0 HA ILE A 38 15.957 -3.044 -13.457 1.00 55.45 H new ATOM 0 HB ILE A 38 17.115 -2.869 -11.381 1.00 51.33 H new ATOM 0 HG12 ILE A 38 17.129 -5.223 -10.760 1.00 64.22 H new ATOM 0 HG13 ILE A 38 16.592 -4.241 -9.412 1.00 64.22 H new ATOM 0 HG21 ILE A 38 15.379 -2.112 -9.805 1.00 53.35 H new ATOM 0 HG22 ILE A 38 15.043 -1.567 -11.466 1.00 53.35 H new ATOM 0 HG23 ILE A 38 14.139 -2.938 -10.779 1.00 53.35 H new ATOM 0 HD11 ILE A 38 15.239 -6.269 -9.613 1.00 24.22 H new ATOM 0 HD12 ILE A 38 14.244 -4.824 -9.907 1.00 24.22 H new ATOM 0 HD13 ILE A 38 14.790 -5.821 -11.276 1.00 24.22 H new ATOM 581 N LYS A 39 17.999 -4.844 -13.003 1.00 40.14 N ATOM 582 CA LYS A 39 18.966 -5.885 -13.331 1.00 74.31 C ATOM 583 C LYS A 39 19.266 -6.752 -12.112 1.00 44.42 C ATOM 584 O LYS A 39 19.058 -6.331 -10.974 1.00 4.22 O ATOM 585 CB LYS A 39 20.260 -5.261 -13.858 1.00 74.13 C ATOM 586 CG LYS A 39 20.747 -5.878 -15.158 1.00 52.51 C ATOM 587 CD LYS A 39 21.996 -5.182 -15.671 1.00 44.13 C ATOM 588 CE LYS A 39 21.675 -4.227 -16.811 1.00 33.22 C ATOM 589 NZ LYS A 39 22.870 -3.448 -17.235 1.00 43.55 N ATOM 0 H LYS A 39 18.413 -3.975 -12.665 1.00 40.14 H new ATOM 0 HA LYS A 39 18.533 -6.517 -14.107 1.00 74.31 H new ATOM 0 HB2 LYS A 39 20.103 -4.193 -14.009 1.00 74.13 H new ATOM 0 HB3 LYS A 39 21.038 -5.366 -13.102 1.00 74.13 H new ATOM 0 HG2 LYS A 39 20.956 -6.936 -15.004 1.00 52.51 H new ATOM 0 HG3 LYS A 39 19.960 -5.815 -15.909 1.00 52.51 H new ATOM 0 HD2 LYS A 39 22.468 -4.632 -14.857 1.00 44.13 H new ATOM 0 HD3 LYS A 39 22.715 -5.927 -16.011 1.00 44.13 H new ATOM 0 HE2 LYS A 39 21.290 -4.792 -17.660 1.00 33.22 H new ATOM 0 HE3 LYS A 39 20.887 -3.542 -16.500 1.00 33.22 H new ATOM 0 HZ1 LYS A 39 22.610 -2.809 -18.013 1.00 43.55 H new ATOM 0 HZ2 LYS A 39 23.223 -2.889 -16.432 1.00 43.55 H new ATOM 0 HZ3 LYS A 39 23.613 -4.100 -17.556 1.00 43.55 H new ATOM 603 N ILE A 40 19.758 -7.961 -12.359 1.00 34.34 N ATOM 604 CA ILE A 40 20.089 -8.885 -11.281 1.00 2.45 C ATOM 605 C ILE A 40 20.995 -8.222 -10.248 1.00 50.12 C ATOM 606 O ILE A 40 20.984 -8.584 -9.071 1.00 71.53 O ATOM 607 CB ILE A 40 20.782 -10.151 -11.817 1.00 60.12 C ATOM 608 CG1 ILE A 40 20.905 -11.200 -10.710 1.00 12.32 C ATOM 609 CG2 ILE A 40 22.152 -9.806 -12.382 1.00 70.40 C ATOM 610 CD1 ILE A 40 19.571 -11.668 -10.170 1.00 64.05 C ATOM 0 H ILE A 40 19.936 -8.324 -13.296 1.00 34.34 H new ATOM 0 HA ILE A 40 19.148 -9.168 -10.808 1.00 2.45 H new ATOM 0 HB ILE A 40 20.174 -10.568 -12.620 1.00 60.12 H new ATOM 0 HG12 ILE A 40 21.454 -12.060 -11.094 1.00 12.32 H new ATOM 0 HG13 ILE A 40 21.494 -10.786 -9.892 1.00 12.32 H new ATOM 0 HG21 ILE A 40 22.629 -10.711 -12.757 1.00 70.40 H new ATOM 0 HG22 ILE A 40 22.040 -9.091 -13.197 1.00 70.40 H new ATOM 0 HG23 ILE A 40 22.769 -9.369 -11.597 1.00 70.40 H new ATOM 0 HD11 ILE A 40 19.735 -12.411 -9.389 1.00 64.05 H new ATOM 0 HD12 ILE A 40 19.028 -10.819 -9.755 1.00 64.05 H new ATOM 0 HD13 ILE A 40 18.988 -12.112 -10.976 1.00 64.05 H new ATOM 622 N THR A 41 21.779 -7.246 -10.696 1.00 71.02 N ATOM 623 CA THR A 41 22.691 -6.531 -9.812 1.00 73.30 C ATOM 624 C THR A 41 21.983 -5.381 -9.106 1.00 11.41 C ATOM 625 O THR A 41 22.322 -5.032 -7.975 1.00 74.54 O ATOM 626 CB THR A 41 23.903 -5.977 -10.584 1.00 52.02 C ATOM 627 OG1 THR A 41 23.458 -5.206 -11.706 1.00 62.21 O ATOM 628 CG2 THR A 41 24.802 -7.107 -11.063 1.00 2.41 C ATOM 0 H THR A 41 21.800 -6.933 -11.666 1.00 71.02 H new ATOM 0 HA THR A 41 23.040 -7.249 -9.070 1.00 73.30 H new ATOM 0 HB THR A 41 24.475 -5.340 -9.910 1.00 52.02 H new ATOM 0 HG1 THR A 41 24.234 -4.856 -12.191 1.00 62.21 H new ATOM 0 HG21 THR A 41 25.651 -6.691 -11.606 1.00 2.41 H new ATOM 0 HG22 THR A 41 25.162 -7.674 -10.205 1.00 2.41 H new ATOM 0 HG23 THR A 41 24.238 -7.766 -11.722 1.00 2.41 H new ATOM 636 N GLU A 42 20.998 -4.795 -9.780 1.00 2.20 N ATOM 637 CA GLU A 42 20.243 -3.683 -9.215 1.00 50.52 C ATOM 638 C GLU A 42 19.320 -4.163 -8.099 1.00 2.32 C ATOM 639 O GLU A 42 19.003 -3.414 -7.175 1.00 5.45 O ATOM 640 CB GLU A 42 19.424 -2.987 -10.305 1.00 62.41 C ATOM 641 CG GLU A 42 20.274 -2.283 -11.349 1.00 43.00 C ATOM 642 CD GLU A 42 20.896 -1.002 -10.828 1.00 11.15 C ATOM 643 OE1 GLU A 42 22.114 -1.004 -10.552 1.00 1.21 O ATOM 644 OE2 GLU A 42 20.165 0.002 -10.695 1.00 20.32 O ATOM 0 H GLU A 42 20.705 -5.072 -10.717 1.00 2.20 H new ATOM 0 HA GLU A 42 20.954 -2.972 -8.794 1.00 50.52 H new ATOM 0 HB2 GLU A 42 18.793 -3.725 -10.800 1.00 62.41 H new ATOM 0 HB3 GLU A 42 18.759 -2.260 -9.839 1.00 62.41 H new ATOM 0 HG2 GLU A 42 21.064 -2.956 -11.683 1.00 43.00 H new ATOM 0 HG3 GLU A 42 19.659 -2.056 -12.220 1.00 43.00 H new ATOM 651 N VAL A 43 18.891 -5.417 -8.192 1.00 24.40 N ATOM 652 CA VAL A 43 18.005 -5.999 -7.191 1.00 4.03 C ATOM 653 C VAL A 43 18.744 -6.243 -5.879 1.00 75.43 C ATOM 654 O VAL A 43 18.125 -6.425 -4.831 1.00 44.42 O ATOM 655 CB VAL A 43 17.399 -7.327 -7.681 1.00 62.21 C ATOM 656 CG1 VAL A 43 18.456 -8.421 -7.702 1.00 32.24 C ATOM 657 CG2 VAL A 43 16.221 -7.729 -6.807 1.00 74.35 C ATOM 0 H VAL A 43 19.143 -6.050 -8.951 1.00 24.40 H new ATOM 0 HA VAL A 43 17.201 -5.282 -7.024 1.00 4.03 H new ATOM 0 HB VAL A 43 17.036 -7.187 -8.699 1.00 62.21 H new ATOM 0 HG11 VAL A 43 18.009 -9.352 -8.051 1.00 32.24 H new ATOM 0 HG12 VAL A 43 19.265 -8.133 -8.373 1.00 32.24 H new ATOM 0 HG13 VAL A 43 18.852 -8.563 -6.697 1.00 32.24 H new ATOM 0 HG21 VAL A 43 15.805 -8.670 -7.168 1.00 74.35 H new ATOM 0 HG22 VAL A 43 16.557 -7.852 -5.777 1.00 74.35 H new ATOM 0 HG23 VAL A 43 15.456 -6.954 -6.849 1.00 74.35 H new ATOM 667 N GLY A 44 20.072 -6.247 -5.946 1.00 14.54 N ATOM 668 CA GLY A 44 20.873 -6.469 -4.756 1.00 61.35 C ATOM 669 C GLY A 44 20.421 -5.620 -3.585 1.00 71.21 C ATOM 670 O GLY A 44 19.923 -6.127 -2.579 1.00 51.44 O ATOM 0 H GLY A 44 20.607 -6.101 -6.802 1.00 14.54 H new ATOM 0 HA2 GLY A 44 20.821 -7.522 -4.479 1.00 61.35 H new ATOM 0 HA3 GLY A 44 21.917 -6.249 -4.979 1.00 61.35 H new ATOM 674 N PRO A 45 20.595 -4.296 -3.707 1.00 4.11 N ATOM 675 CA PRO A 45 20.209 -3.347 -2.659 1.00 1.24 C ATOM 676 C PRO A 45 18.696 -3.233 -2.509 1.00 10.50 C ATOM 677 O PRO A 45 18.197 -2.771 -1.482 1.00 40.24 O ATOM 678 CB PRO A 45 20.800 -2.021 -3.145 1.00 60.10 C ATOM 679 CG PRO A 45 20.895 -2.169 -4.624 1.00 40.14 C ATOM 680 CD PRO A 45 21.183 -3.623 -4.878 1.00 13.03 C ATOM 0 HA PRO A 45 20.569 -3.655 -1.678 1.00 1.24 H new ATOM 0 HB2 PRO A 45 20.163 -1.180 -2.871 1.00 60.10 H new ATOM 0 HB3 PRO A 45 21.779 -1.838 -2.702 1.00 60.10 H new ATOM 0 HG2 PRO A 45 19.966 -1.865 -5.107 1.00 40.14 H new ATOM 0 HG3 PRO A 45 21.686 -1.538 -5.029 1.00 40.14 H new ATOM 0 HD2 PRO A 45 20.730 -3.966 -5.808 1.00 13.03 H new ATOM 0 HD3 PRO A 45 22.253 -3.813 -4.956 1.00 13.03 H new ATOM 688 N TYR A 46 17.971 -3.656 -3.538 1.00 51.12 N ATOM 689 CA TYR A 46 16.514 -3.599 -3.522 1.00 30.13 C ATOM 690 C TYR A 46 15.924 -4.906 -3.002 1.00 73.41 C ATOM 691 O TYR A 46 14.893 -5.371 -3.489 1.00 4.13 O ATOM 692 CB TYR A 46 15.978 -3.306 -4.924 1.00 61.41 C ATOM 693 CG TYR A 46 16.141 -1.864 -5.346 1.00 3.53 C ATOM 694 CD1 TYR A 46 15.755 -0.826 -4.506 1.00 21.12 C ATOM 695 CD2 TYR A 46 16.680 -1.538 -6.584 1.00 4.51 C ATOM 696 CE1 TYR A 46 15.902 0.494 -4.887 1.00 35.32 C ATOM 697 CE2 TYR A 46 16.832 -0.221 -6.973 1.00 10.33 C ATOM 698 CZ TYR A 46 16.441 0.791 -6.121 1.00 11.31 C ATOM 699 OH TYR A 46 16.589 2.104 -6.505 1.00 51.31 O ATOM 0 H TYR A 46 18.368 -4.042 -4.394 1.00 51.12 H new ATOM 0 HA TYR A 46 16.215 -2.794 -2.851 1.00 30.13 H new ATOM 0 HB2 TYR A 46 16.492 -3.946 -5.641 1.00 61.41 H new ATOM 0 HB3 TYR A 46 14.921 -3.570 -4.962 1.00 61.41 H new ATOM 0 HD1 TYR A 46 15.333 -1.055 -3.539 1.00 21.12 H new ATOM 0 HD2 TYR A 46 16.986 -2.328 -7.254 1.00 4.51 H new ATOM 0 HE1 TYR A 46 15.597 1.288 -4.222 1.00 35.32 H new ATOM 0 HE2 TYR A 46 17.254 0.015 -7.939 1.00 10.33 H new ATOM 0 HH TYR A 46 16.984 2.140 -7.401 1.00 51.31 H new ATOM 709 N GLU A 47 16.585 -5.494 -2.010 1.00 2.23 N ATOM 710 CA GLU A 47 16.126 -6.748 -1.424 1.00 4.34 C ATOM 711 C GLU A 47 15.245 -6.488 -0.205 1.00 73.44 C ATOM 712 O GLU A 47 14.278 -7.210 0.039 1.00 31.33 O ATOM 713 CB GLU A 47 17.321 -7.618 -1.027 1.00 13.25 C ATOM 714 CG GLU A 47 17.855 -8.473 -2.163 1.00 44.10 C ATOM 715 CD GLU A 47 19.144 -9.185 -1.801 1.00 20.43 C ATOM 716 OE1 GLU A 47 19.537 -10.112 -2.540 1.00 42.35 O ATOM 717 OE2 GLU A 47 19.759 -8.817 -0.778 1.00 72.41 O ATOM 0 H GLU A 47 17.440 -5.122 -1.595 1.00 2.23 H new ATOM 0 HA GLU A 47 15.535 -7.275 -2.173 1.00 4.34 H new ATOM 0 HB2 GLU A 47 18.121 -6.976 -0.660 1.00 13.25 H new ATOM 0 HB3 GLU A 47 17.029 -8.267 -0.201 1.00 13.25 H new ATOM 0 HG2 GLU A 47 17.103 -9.211 -2.442 1.00 44.10 H new ATOM 0 HG3 GLU A 47 18.025 -7.844 -3.037 1.00 44.10 H new ATOM 724 N ASP A 48 15.586 -5.454 0.555 1.00 52.12 N ATOM 725 CA ASP A 48 14.826 -5.098 1.748 1.00 71.05 C ATOM 726 C ASP A 48 13.581 -4.296 1.380 1.00 64.22 C ATOM 727 O ASP A 48 12.466 -4.648 1.765 1.00 11.15 O ATOM 728 CB ASP A 48 15.698 -4.295 2.713 1.00 4.33 C ATOM 729 CG ASP A 48 15.186 -4.350 4.139 1.00 10.20 C ATOM 730 OD1 ASP A 48 14.059 -4.847 4.346 1.00 20.10 O ATOM 731 OD2 ASP A 48 15.912 -3.897 5.048 1.00 41.50 O ATOM 0 H ASP A 48 16.384 -4.847 0.367 1.00 52.12 H new ATOM 0 HA ASP A 48 14.511 -6.020 2.237 1.00 71.05 H new ATOM 0 HB2 ASP A 48 16.718 -4.678 2.681 1.00 4.33 H new ATOM 0 HB3 ASP A 48 15.737 -3.257 2.384 1.00 4.33 H new ATOM 736 N THR A 49 13.780 -3.215 0.632 1.00 74.12 N ATOM 737 CA THR A 49 12.675 -2.362 0.214 1.00 55.23 C ATOM 738 C THR A 49 11.605 -3.166 -0.516 1.00 14.20 C ATOM 739 O THR A 49 10.458 -3.236 -0.074 1.00 43.00 O ATOM 740 CB THR A 49 13.160 -1.223 -0.703 1.00 73.34 C ATOM 741 OG1 THR A 49 13.944 -1.758 -1.776 1.00 33.24 O ATOM 742 CG2 THR A 49 13.984 -0.212 0.079 1.00 22.20 C ATOM 0 H THR A 49 14.696 -2.910 0.304 1.00 74.12 H new ATOM 0 HA THR A 49 12.248 -1.932 1.120 1.00 55.23 H new ATOM 0 HB THR A 49 12.285 -0.717 -1.110 1.00 73.34 H new ATOM 0 HG1 THR A 49 13.524 -1.532 -2.632 1.00 33.24 H new ATOM 0 HG21 THR A 49 14.315 0.583 -0.590 1.00 22.20 H new ATOM 0 HG22 THR A 49 13.375 0.215 0.876 1.00 22.20 H new ATOM 0 HG23 THR A 49 14.853 -0.708 0.512 1.00 22.20 H new ATOM 750 N ALA A 50 11.987 -3.772 -1.635 1.00 51.23 N ATOM 751 CA ALA A 50 11.060 -4.573 -2.425 1.00 23.52 C ATOM 752 C ALA A 50 10.412 -5.660 -1.574 1.00 33.03 C ATOM 753 O ALA A 50 11.081 -6.324 -0.782 1.00 62.11 O ATOM 754 CB ALA A 50 11.779 -5.191 -3.615 1.00 72.31 C ATOM 0 H ALA A 50 12.932 -3.724 -2.015 1.00 51.23 H new ATOM 0 HA ALA A 50 10.271 -3.916 -2.792 1.00 23.52 H new ATOM 0 HB1 ALA A 50 11.075 -5.787 -4.196 1.00 72.31 H new ATOM 0 HB2 ALA A 50 12.190 -4.400 -4.243 1.00 72.31 H new ATOM 0 HB3 ALA A 50 12.588 -5.830 -3.260 1.00 72.31 H new ATOM 760 N ASP A 51 9.106 -5.835 -1.741 1.00 73.33 N ATOM 761 CA ASP A 51 8.367 -6.842 -0.988 1.00 75.04 C ATOM 762 C ASP A 51 8.220 -8.127 -1.798 1.00 11.23 C ATOM 763 O ASP A 51 8.275 -9.228 -1.249 1.00 64.43 O ATOM 764 CB ASP A 51 6.987 -6.308 -0.601 1.00 34.53 C ATOM 765 CG ASP A 51 6.495 -6.877 0.716 1.00 71.12 C ATOM 766 OD1 ASP A 51 5.808 -6.145 1.458 1.00 12.01 O ATOM 767 OD2 ASP A 51 6.798 -8.054 1.004 1.00 32.03 O ATOM 0 H ASP A 51 8.537 -5.293 -2.391 1.00 73.33 H new ATOM 0 HA ASP A 51 8.929 -7.068 -0.081 1.00 75.04 H new ATOM 0 HB2 ASP A 51 7.028 -5.221 -0.531 1.00 34.53 H new ATOM 0 HB3 ASP A 51 6.273 -6.551 -1.388 1.00 34.53 H new ATOM 772 N LEU A 52 8.031 -7.979 -3.104 1.00 44.42 N ATOM 773 CA LEU A 52 7.875 -9.127 -3.990 1.00 25.20 C ATOM 774 C LEU A 52 8.770 -8.993 -5.218 1.00 72.03 C ATOM 775 O LEU A 52 8.802 -7.945 -5.864 1.00 43.24 O ATOM 776 CB LEU A 52 6.415 -9.269 -4.422 1.00 12.34 C ATOM 777 CG LEU A 52 5.979 -10.665 -4.867 1.00 72.00 C ATOM 778 CD1 LEU A 52 6.682 -11.057 -6.157 1.00 74.34 C ATOM 779 CD2 LEU A 52 6.259 -11.685 -3.773 1.00 71.44 C ATOM 0 H LEU A 52 7.982 -7.075 -3.573 1.00 44.42 H new ATOM 0 HA LEU A 52 8.173 -10.021 -3.442 1.00 25.20 H new ATOM 0 HB2 LEU A 52 5.780 -8.959 -3.592 1.00 12.34 H new ATOM 0 HB3 LEU A 52 6.230 -8.574 -5.241 1.00 12.34 H new ATOM 0 HG LEU A 52 4.905 -10.648 -5.053 1.00 72.00 H new ATOM 0 HD11 LEU A 52 6.360 -12.054 -6.459 1.00 74.34 H new ATOM 0 HD12 LEU A 52 6.431 -10.342 -6.940 1.00 74.34 H new ATOM 0 HD13 LEU A 52 7.760 -11.057 -5.998 1.00 74.34 H new ATOM 0 HD21 LEU A 52 5.942 -12.673 -4.107 1.00 71.44 H new ATOM 0 HD22 LEU A 52 7.327 -11.701 -3.555 1.00 71.44 H new ATOM 0 HD23 LEU A 52 5.709 -11.413 -2.872 1.00 71.44 H new ATOM 791 N LEU A 53 9.493 -10.061 -5.537 1.00 32.04 N ATOM 792 CA LEU A 53 10.387 -10.064 -6.690 1.00 14.04 C ATOM 793 C LEU A 53 10.158 -11.301 -7.553 1.00 10.24 C ATOM 794 O LEU A 53 10.100 -12.422 -7.047 1.00 1.33 O ATOM 795 CB LEU A 53 11.845 -10.011 -6.230 1.00 35.33 C ATOM 796 CG LEU A 53 12.897 -10.297 -7.301 1.00 41.45 C ATOM 797 CD1 LEU A 53 12.843 -9.243 -8.397 1.00 1.24 C ATOM 798 CD2 LEU A 53 14.286 -10.355 -6.683 1.00 2.33 C ATOM 0 H LEU A 53 9.478 -10.936 -5.013 1.00 32.04 H new ATOM 0 HA LEU A 53 10.170 -9.180 -7.290 1.00 14.04 H new ATOM 0 HB2 LEU A 53 12.038 -9.022 -5.814 1.00 35.33 H new ATOM 0 HB3 LEU A 53 11.976 -10.728 -5.420 1.00 35.33 H new ATOM 0 HG LEU A 53 12.679 -11.267 -7.747 1.00 41.45 H new ATOM 0 HD11 LEU A 53 13.599 -9.463 -9.151 1.00 1.24 H new ATOM 0 HD12 LEU A 53 11.856 -9.250 -8.860 1.00 1.24 H new ATOM 0 HD13 LEU A 53 13.035 -8.260 -7.966 1.00 1.24 H new ATOM 0 HD21 LEU A 53 15.022 -10.560 -7.461 1.00 2.33 H new ATOM 0 HD22 LEU A 53 14.514 -9.400 -6.210 1.00 2.33 H new ATOM 0 HD23 LEU A 53 14.319 -11.147 -5.935 1.00 2.33 H new ATOM 810 N VAL A 54 10.031 -11.089 -8.859 1.00 33.42 N ATOM 811 CA VAL A 54 9.812 -12.187 -9.793 1.00 70.21 C ATOM 812 C VAL A 54 10.880 -12.204 -10.881 1.00 53.31 C ATOM 813 O VAL A 54 11.006 -11.256 -11.658 1.00 24.34 O ATOM 814 CB VAL A 54 8.423 -12.094 -10.453 1.00 65.22 C ATOM 815 CG1 VAL A 54 8.142 -13.338 -11.283 1.00 1.33 C ATOM 816 CG2 VAL A 54 7.345 -11.891 -9.399 1.00 65.22 C ATOM 0 H VAL A 54 10.076 -10.168 -9.294 1.00 33.42 H new ATOM 0 HA VAL A 54 9.871 -13.110 -9.216 1.00 70.21 H new ATOM 0 HB VAL A 54 8.413 -11.232 -11.120 1.00 65.22 H new ATOM 0 HG11 VAL A 54 7.157 -13.255 -11.742 1.00 1.33 H new ATOM 0 HG12 VAL A 54 8.898 -13.434 -12.062 1.00 1.33 H new ATOM 0 HG13 VAL A 54 8.170 -14.218 -10.640 1.00 1.33 H new ATOM 0 HG21 VAL A 54 6.370 -11.827 -9.883 1.00 65.22 H new ATOM 0 HG22 VAL A 54 7.352 -12.732 -8.705 1.00 65.22 H new ATOM 0 HG23 VAL A 54 7.540 -10.968 -8.853 1.00 65.22 H new ATOM 826 N THR A 55 11.647 -13.288 -10.933 1.00 4.01 N ATOM 827 CA THR A 55 12.705 -13.429 -11.925 1.00 44.33 C ATOM 828 C THR A 55 12.490 -14.667 -12.787 1.00 73.41 C ATOM 829 O THR A 55 12.138 -15.734 -12.283 1.00 30.53 O ATOM 830 CB THR A 55 14.092 -13.515 -11.260 1.00 31.21 C ATOM 831 OG1 THR A 55 15.079 -13.882 -12.230 1.00 71.42 O ATOM 832 CG2 THR A 55 14.086 -14.530 -10.126 1.00 52.43 C ATOM 0 H THR A 55 11.555 -14.082 -10.299 1.00 4.01 H new ATOM 0 HA THR A 55 12.667 -12.540 -12.555 1.00 44.33 H new ATOM 0 HB THR A 55 14.335 -12.535 -10.849 1.00 31.21 H new ATOM 0 HG1 THR A 55 15.299 -14.832 -12.129 1.00 71.42 H new ATOM 0 HG21 THR A 55 15.076 -14.574 -9.671 1.00 52.43 H new ATOM 0 HG22 THR A 55 13.354 -14.232 -9.375 1.00 52.43 H new ATOM 0 HG23 THR A 55 13.823 -15.512 -10.518 1.00 52.43 H new ATOM 840 N THR A 56 12.703 -14.520 -14.091 1.00 63.20 N ATOM 841 CA THR A 56 12.532 -15.627 -15.023 1.00 72.23 C ATOM 842 C THR A 56 13.476 -16.777 -14.691 1.00 74.20 C ATOM 843 O THR A 56 13.084 -17.943 -14.725 1.00 63.42 O ATOM 844 CB THR A 56 12.777 -15.181 -16.477 1.00 0.50 C ATOM 845 OG1 THR A 56 14.163 -14.875 -16.668 1.00 53.53 O ATOM 846 CG2 THR A 56 11.932 -13.963 -16.819 1.00 13.12 C ATOM 0 H THR A 56 12.994 -13.644 -14.525 1.00 63.20 H new ATOM 0 HA THR A 56 11.501 -15.966 -14.923 1.00 72.23 H new ATOM 0 HB THR A 56 12.491 -15.999 -17.138 1.00 0.50 H new ATOM 0 HG1 THR A 56 14.293 -13.905 -16.622 1.00 53.53 H new ATOM 0 HG21 THR A 56 12.122 -13.666 -17.851 1.00 13.12 H new ATOM 0 HG22 THR A 56 10.876 -14.207 -16.700 1.00 13.12 H new ATOM 0 HG23 THR A 56 12.191 -13.141 -16.152 1.00 13.12 H new ATOM 854 N ALA A 57 14.720 -16.441 -14.369 1.00 4.21 N ATOM 855 CA ALA A 57 15.719 -17.446 -14.028 1.00 3.14 C ATOM 856 C ALA A 57 15.832 -17.617 -12.516 1.00 74.25 C ATOM 857 O ALA A 57 15.566 -16.687 -11.756 1.00 5.13 O ATOM 858 CB ALA A 57 17.070 -17.071 -14.620 1.00 15.50 C ATOM 0 H ALA A 57 15.061 -15.480 -14.337 1.00 4.21 H new ATOM 0 HA ALA A 57 15.400 -18.398 -14.453 1.00 3.14 H new ATOM 0 HB1 ALA A 57 17.806 -17.831 -14.357 1.00 15.50 H new ATOM 0 HB2 ALA A 57 16.987 -17.007 -15.705 1.00 15.50 H new ATOM 0 HB3 ALA A 57 17.386 -16.107 -14.223 1.00 15.50 H new ATOM 954 N TYR A 63 17.591 -13.326 0.183 1.00 71.14 N ATOM 955 CA TYR A 63 16.501 -12.404 -0.113 1.00 34.22 C ATOM 956 C TYR A 63 15.575 -12.251 1.090 1.00 22.55 C ATOM 957 O TYR A 63 15.457 -13.156 1.918 1.00 45.15 O ATOM 958 CB TYR A 63 15.704 -12.894 -1.324 1.00 5.04 C ATOM 959 CG TYR A 63 16.541 -13.060 -2.572 1.00 5.41 C ATOM 960 CD1 TYR A 63 17.019 -14.308 -2.951 1.00 21.32 C ATOM 961 CD2 TYR A 63 16.856 -11.968 -3.372 1.00 15.13 C ATOM 962 CE1 TYR A 63 17.785 -14.465 -4.090 1.00 52.51 C ATOM 963 CE2 TYR A 63 17.619 -12.115 -4.513 1.00 42.03 C ATOM 964 CZ TYR A 63 18.082 -13.365 -4.868 1.00 73.02 C ATOM 965 OH TYR A 63 18.844 -13.515 -6.004 1.00 30.51 O ATOM 0 HA TYR A 63 16.935 -11.431 -0.342 1.00 34.22 H new ATOM 0 HB2 TYR A 63 15.238 -13.848 -1.080 1.00 5.04 H new ATOM 0 HB3 TYR A 63 14.898 -12.189 -1.528 1.00 5.04 H new ATOM 0 HD1 TYR A 63 16.788 -15.171 -2.344 1.00 21.32 H new ATOM 0 HD2 TYR A 63 16.498 -10.987 -3.096 1.00 15.13 H new ATOM 0 HE1 TYR A 63 18.149 -15.443 -4.370 1.00 52.51 H new ATOM 0 HE2 TYR A 63 17.852 -11.256 -5.125 1.00 42.03 H new ATOM 0 HH TYR A 63 18.960 -12.644 -6.438 1.00 30.51 H new ATOM 975 N LYS A 64 14.919 -11.100 1.181 1.00 11.33 N ATOM 976 CA LYS A 64 14.002 -10.826 2.281 1.00 15.00 C ATOM 977 C LYS A 64 12.552 -10.917 1.816 1.00 72.23 C ATOM 978 O LYS A 64 11.701 -10.139 2.247 1.00 52.12 O ATOM 979 CB LYS A 64 14.274 -9.438 2.866 1.00 30.43 C ATOM 980 CG LYS A 64 15.481 -9.393 3.787 1.00 42.01 C ATOM 981 CD LYS A 64 15.202 -10.090 5.108 1.00 71.43 C ATOM 982 CE LYS A 64 15.835 -9.348 6.275 1.00 54.13 C ATOM 983 NZ LYS A 64 15.810 -10.156 7.525 1.00 34.03 N ATOM 0 H LYS A 64 15.005 -10.341 0.505 1.00 11.33 H new ATOM 0 HA LYS A 64 14.166 -11.578 3.053 1.00 15.00 H new ATOM 0 HB2 LYS A 64 14.424 -8.732 2.050 1.00 30.43 H new ATOM 0 HB3 LYS A 64 13.394 -9.106 3.417 1.00 30.43 H new ATOM 0 HG2 LYS A 64 16.331 -9.867 3.297 1.00 42.01 H new ATOM 0 HG3 LYS A 64 15.759 -8.356 3.974 1.00 42.01 H new ATOM 0 HD2 LYS A 64 14.125 -10.162 5.262 1.00 71.43 H new ATOM 0 HD3 LYS A 64 15.587 -11.109 5.071 1.00 71.43 H new ATOM 0 HE2 LYS A 64 16.866 -9.094 6.028 1.00 54.13 H new ATOM 0 HE3 LYS A 64 15.306 -8.409 6.439 1.00 54.13 H new ATOM 0 HZ1 LYS A 64 16.250 -9.615 8.297 1.00 34.03 H new ATOM 0 HZ2 LYS A 64 14.825 -10.377 7.776 1.00 34.03 H new ATOM 0 HZ3 LYS A 64 16.337 -11.040 7.377 1.00 34.03 H new ATOM 997 N PHE A 65 12.277 -11.873 0.935 1.00 70.44 N ATOM 998 CA PHE A 65 10.930 -12.067 0.411 1.00 14.44 C ATOM 999 C PHE A 65 10.820 -13.394 -0.333 1.00 64.01 C ATOM 1000 O PHE A 65 11.813 -13.962 -0.789 1.00 73.35 O ATOM 1001 CB PHE A 65 10.551 -10.914 -0.521 1.00 4.43 C ATOM 1002 CG PHE A 65 11.672 -10.479 -1.422 1.00 33.02 C ATOM 1003 CD1 PHE A 65 12.191 -9.197 -1.335 1.00 74.34 C ATOM 1004 CD2 PHE A 65 12.206 -11.352 -2.356 1.00 34.43 C ATOM 1005 CE1 PHE A 65 13.222 -8.794 -2.163 1.00 32.31 C ATOM 1006 CE2 PHE A 65 13.237 -10.955 -3.185 1.00 60.25 C ATOM 1007 CZ PHE A 65 13.745 -9.674 -3.090 1.00 31.31 C ATOM 0 H PHE A 65 12.970 -12.526 0.569 1.00 70.44 H new ATOM 0 HA PHE A 65 10.240 -12.086 1.254 1.00 14.44 H new ATOM 0 HB2 PHE A 65 9.700 -11.216 -1.132 1.00 4.43 H new ATOM 0 HB3 PHE A 65 10.227 -10.064 0.079 1.00 4.43 H new ATOM 0 HD1 PHE A 65 11.785 -8.505 -0.612 1.00 74.34 H new ATOM 0 HD2 PHE A 65 11.812 -12.354 -2.437 1.00 34.43 H new ATOM 0 HE1 PHE A 65 13.618 -7.792 -2.085 1.00 32.31 H new ATOM 0 HE2 PHE A 65 13.646 -11.646 -3.907 1.00 60.25 H new ATOM 0 HZ PHE A 65 14.549 -9.361 -3.739 1.00 31.31 H new ATOM 1017 N PRO A 66 9.585 -13.901 -0.459 1.00 22.42 N ATOM 1018 CA PRO A 66 9.316 -15.168 -1.147 1.00 13.52 C ATOM 1019 C PRO A 66 9.533 -15.067 -2.653 1.00 5.24 C ATOM 1020 O PRO A 66 8.585 -14.884 -3.416 1.00 44.13 O ATOM 1021 CB PRO A 66 7.840 -15.433 -0.836 1.00 44.24 C ATOM 1022 CG PRO A 66 7.260 -14.086 -0.577 1.00 12.33 C ATOM 1023 CD PRO A 66 8.356 -13.278 0.061 1.00 44.04 C ATOM 0 HA PRO A 66 9.985 -15.962 -0.816 1.00 13.52 H new ATOM 0 HB2 PRO A 66 7.341 -15.925 -1.671 1.00 44.24 H new ATOM 0 HB3 PRO A 66 7.729 -16.085 0.030 1.00 44.24 H new ATOM 0 HG2 PRO A 66 6.922 -13.622 -1.504 1.00 12.33 H new ATOM 0 HG3 PRO A 66 6.393 -14.154 0.080 1.00 12.33 H new ATOM 0 HD2 PRO A 66 8.292 -12.225 -0.214 1.00 44.04 H new ATOM 0 HD3 PRO A 66 8.310 -13.327 1.149 1.00 44.04 H new ATOM 1031 N VAL A 67 10.788 -15.188 -3.074 1.00 5.21 N ATOM 1032 CA VAL A 67 11.131 -15.112 -4.489 1.00 55.12 C ATOM 1033 C VAL A 67 10.291 -16.084 -5.310 1.00 61.33 C ATOM 1034 O VAL A 67 9.992 -17.192 -4.864 1.00 24.33 O ATOM 1035 CB VAL A 67 12.622 -15.415 -4.723 1.00 45.30 C ATOM 1036 CG1 VAL A 67 12.966 -15.297 -6.200 1.00 4.40 C ATOM 1037 CG2 VAL A 67 13.491 -14.485 -3.889 1.00 23.51 C ATOM 0 H VAL A 67 11.584 -15.339 -2.455 1.00 5.21 H new ATOM 0 HA VAL A 67 10.921 -14.092 -4.811 1.00 55.12 H new ATOM 0 HB VAL A 67 12.820 -16.440 -4.409 1.00 45.30 H new ATOM 0 HG11 VAL A 67 14.024 -15.515 -6.346 1.00 4.40 H new ATOM 0 HG12 VAL A 67 12.368 -16.007 -6.771 1.00 4.40 H new ATOM 0 HG13 VAL A 67 12.753 -14.285 -6.543 1.00 4.40 H new ATOM 0 HG21 VAL A 67 14.542 -14.713 -4.066 1.00 23.51 H new ATOM 0 HG22 VAL A 67 13.291 -13.451 -4.170 1.00 23.51 H new ATOM 0 HG23 VAL A 67 13.263 -14.624 -2.832 1.00 23.51 H new ATOM 1047 N ILE A 68 9.914 -15.662 -6.513 1.00 21.55 N ATOM 1048 CA ILE A 68 9.110 -16.497 -7.397 1.00 3.11 C ATOM 1049 C ILE A 68 9.708 -16.548 -8.799 1.00 3.53 C ATOM 1050 O ILE A 68 10.246 -15.557 -9.291 1.00 41.31 O ATOM 1051 CB ILE A 68 7.660 -15.987 -7.488 1.00 11.12 C ATOM 1052 CG1 ILE A 68 7.089 -15.756 -6.087 1.00 74.42 C ATOM 1053 CG2 ILE A 68 6.799 -16.974 -8.261 1.00 72.31 C ATOM 1054 CD1 ILE A 68 6.962 -17.023 -5.270 1.00 65.11 C ATOM 0 H ILE A 68 10.152 -14.748 -6.897 1.00 21.55 H new ATOM 0 HA ILE A 68 9.108 -17.499 -6.969 1.00 3.11 H new ATOM 0 HB ILE A 68 7.657 -15.037 -8.022 1.00 11.12 H new ATOM 0 HG12 ILE A 68 7.729 -15.052 -5.554 1.00 74.42 H new ATOM 0 HG13 ILE A 68 6.107 -15.290 -6.176 1.00 74.42 H new ATOM 0 HG21 ILE A 68 5.777 -16.599 -8.317 1.00 72.31 H new ATOM 0 HG22 ILE A 68 7.197 -17.093 -9.269 1.00 72.31 H new ATOM 0 HG23 ILE A 68 6.805 -17.938 -7.752 1.00 72.31 H new ATOM 0 HD11 ILE A 68 6.551 -16.784 -4.289 1.00 65.11 H new ATOM 0 HD12 ILE A 68 6.299 -17.721 -5.781 1.00 65.11 H new ATOM 0 HD13 ILE A 68 7.945 -17.479 -5.150 1.00 65.11 H new ATOM 1066 N ASN A 69 9.609 -17.709 -9.437 1.00 74.01 N ATOM 1067 CA ASN A 69 10.139 -17.889 -10.784 1.00 13.12 C ATOM 1068 C ASN A 69 9.136 -17.413 -11.831 1.00 5.20 C ATOM 1069 O ASN A 69 7.937 -17.659 -11.714 1.00 34.52 O ATOM 1070 CB ASN A 69 10.486 -19.359 -11.025 1.00 71.34 C ATOM 1071 CG ASN A 69 11.856 -19.726 -10.488 1.00 41.55 C ATOM 1072 OD1 ASN A 69 12.024 -19.958 -9.291 1.00 70.53 O ATOM 1073 ND2 ASN A 69 12.844 -19.778 -11.374 1.00 50.34 N ATOM 0 H ASN A 69 9.167 -18.540 -9.043 1.00 74.01 H new ATOM 0 HA ASN A 69 11.045 -17.289 -10.875 1.00 13.12 H new ATOM 0 HB2 ASN A 69 9.733 -19.989 -10.552 1.00 71.34 H new ATOM 0 HB3 ASN A 69 10.450 -19.567 -12.094 1.00 71.34 H new ATOM 0 HD21 ASN A 69 13.788 -20.018 -11.072 1.00 50.34 H new ATOM 0 HD22 ASN A 69 12.659 -19.578 -12.357 1.00 50.34 H new ATOM 1080 N ALA A 70 9.638 -16.730 -12.855 1.00 2.33 N ATOM 1081 CA ALA A 70 8.788 -16.221 -13.924 1.00 31.41 C ATOM 1082 C ALA A 70 8.976 -17.027 -15.205 1.00 31.01 C ATOM 1083 O ALA A 70 8.918 -16.481 -16.307 1.00 32.12 O ATOM 1084 CB ALA A 70 9.080 -14.750 -14.176 1.00 41.40 C ATOM 0 H ALA A 70 10.629 -16.517 -12.966 1.00 2.33 H new ATOM 0 HA ALA A 70 7.750 -16.325 -13.609 1.00 31.41 H new ATOM 0 HB1 ALA A 70 8.438 -14.384 -14.977 1.00 41.40 H new ATOM 0 HB2 ALA A 70 8.888 -14.180 -13.267 1.00 41.40 H new ATOM 0 HB3 ALA A 70 10.124 -14.631 -14.465 1.00 41.40 H new ATOM 1090 N ARG A 71 9.202 -18.328 -15.052 1.00 41.35 N ATOM 1091 CA ARG A 71 9.401 -19.208 -16.198 1.00 13.04 C ATOM 1092 C ARG A 71 8.120 -19.331 -17.018 1.00 13.25 C ATOM 1093 O ARG A 71 8.162 -19.423 -18.243 1.00 64.25 O ATOM 1094 CB ARG A 71 9.855 -20.592 -15.731 1.00 61.21 C ATOM 1095 CG ARG A 71 11.228 -20.595 -15.080 1.00 24.12 C ATOM 1096 CD ARG A 71 12.336 -20.701 -16.116 1.00 42.42 C ATOM 1097 NE ARG A 71 12.288 -21.967 -16.842 1.00 54.23 N ATOM 1098 CZ ARG A 71 13.213 -22.349 -17.715 1.00 21.50 C ATOM 1099 NH1 ARG A 71 14.254 -21.568 -17.968 1.00 53.12 N ATOM 1100 NH2 ARG A 71 13.099 -23.517 -18.336 1.00 11.50 N ATOM 0 H ARG A 71 9.252 -18.796 -14.147 1.00 41.35 H new ATOM 0 HA ARG A 71 10.175 -18.772 -16.829 1.00 13.04 H new ATOM 0 HB2 ARG A 71 9.125 -20.984 -15.023 1.00 61.21 H new ATOM 0 HB3 ARG A 71 9.866 -21.269 -16.585 1.00 61.21 H new ATOM 0 HG2 ARG A 71 11.358 -19.682 -14.499 1.00 24.12 H new ATOM 0 HG3 ARG A 71 11.299 -21.430 -14.383 1.00 24.12 H new ATOM 0 HD2 ARG A 71 12.252 -19.875 -16.822 1.00 42.42 H new ATOM 0 HD3 ARG A 71 13.303 -20.602 -15.623 1.00 42.42 H new ATOM 0 HE ARG A 71 11.501 -22.592 -16.669 1.00 54.23 H new ATOM 0 HH11 ARG A 71 14.346 -20.671 -17.492 1.00 53.12 H new ATOM 0 HH12 ARG A 71 14.963 -21.864 -18.639 1.00 53.12 H new ATOM 0 HH21 ARG A 71 12.301 -24.122 -18.143 1.00 11.50 H new ATOM 0 HH22 ARG A 71 13.810 -23.810 -19.006 1.00 11.50 H new ATOM 1114 N ASN A 72 6.982 -19.332 -16.331 1.00 53.50 N ATOM 1115 CA ASN A 72 5.688 -19.444 -16.996 1.00 23.25 C ATOM 1116 C ASN A 72 5.490 -18.309 -17.995 1.00 15.20 C ATOM 1117 O ASN A 72 4.893 -18.498 -19.055 1.00 40.13 O ATOM 1118 CB ASN A 72 4.559 -19.434 -15.964 1.00 13.14 C ATOM 1119 CG ASN A 72 3.236 -19.887 -16.550 1.00 54.42 C ATOM 1120 OD1 ASN A 72 3.093 -20.010 -17.767 1.00 21.23 O ATOM 1121 ND2 ASN A 72 2.259 -20.136 -15.685 1.00 65.10 N ATOM 0 H ASN A 72 6.929 -19.257 -15.315 1.00 53.50 H new ATOM 0 HA ASN A 72 5.666 -20.389 -17.539 1.00 23.25 H new ATOM 0 HB2 ASN A 72 4.826 -20.084 -15.131 1.00 13.14 H new ATOM 0 HB3 ASN A 72 4.449 -18.428 -15.560 1.00 13.14 H new ATOM 0 HD21 ASN A 72 1.346 -20.442 -16.021 1.00 65.10 H new ATOM 0 HD22 ASN A 72 2.422 -20.021 -14.685 1.00 65.10 H new ATOM 1128 N PHE A 73 5.994 -17.129 -17.650 1.00 12.24 N ATOM 1129 CA PHE A 73 5.872 -15.962 -18.516 1.00 33.11 C ATOM 1130 C PHE A 73 6.603 -16.186 -19.836 1.00 45.10 C ATOM 1131 O PHE A 73 6.158 -15.732 -20.891 1.00 32.11 O ATOM 1132 CB PHE A 73 6.428 -14.720 -17.816 1.00 34.32 C ATOM 1133 CG PHE A 73 5.486 -14.130 -16.806 1.00 10.35 C ATOM 1134 CD1 PHE A 73 5.192 -14.808 -15.634 1.00 15.02 C ATOM 1135 CD2 PHE A 73 4.895 -12.896 -17.028 1.00 32.40 C ATOM 1136 CE1 PHE A 73 4.326 -14.267 -14.702 1.00 33.21 C ATOM 1137 CE2 PHE A 73 4.029 -12.350 -16.100 1.00 33.54 C ATOM 1138 CZ PHE A 73 3.743 -13.037 -14.936 1.00 32.23 C ATOM 0 H PHE A 73 6.491 -16.955 -16.776 1.00 12.24 H new ATOM 0 HA PHE A 73 4.814 -15.807 -18.728 1.00 33.11 H new ATOM 0 HB2 PHE A 73 7.363 -14.980 -17.320 1.00 34.32 H new ATOM 0 HB3 PHE A 73 6.664 -13.965 -18.566 1.00 34.32 H new ATOM 0 HD1 PHE A 73 5.645 -15.770 -15.446 1.00 15.02 H new ATOM 0 HD2 PHE A 73 5.114 -12.355 -17.937 1.00 32.40 H new ATOM 0 HE1 PHE A 73 4.106 -14.805 -13.792 1.00 33.21 H new ATOM 0 HE2 PHE A 73 3.576 -11.387 -16.284 1.00 33.54 H new ATOM 0 HZ PHE A 73 3.065 -12.613 -14.210 1.00 32.23 H new ATOM 1148 N LEU A 74 7.729 -16.888 -19.770 1.00 4.34 N ATOM 1149 CA LEU A 74 8.525 -17.172 -20.959 1.00 32.31 C ATOM 1150 C LEU A 74 7.999 -18.407 -21.683 1.00 72.42 C ATOM 1151 O LEU A 74 8.022 -18.477 -22.912 1.00 64.45 O ATOM 1152 CB LEU A 74 9.992 -17.377 -20.578 1.00 42.43 C ATOM 1153 CG LEU A 74 11.023 -16.955 -21.626 1.00 55.14 C ATOM 1154 CD1 LEU A 74 11.361 -15.479 -21.479 1.00 75.43 C ATOM 1155 CD2 LEU A 74 12.279 -17.806 -21.512 1.00 10.32 C ATOM 0 H LEU A 74 8.111 -17.271 -18.905 1.00 4.34 H new ATOM 0 HA LEU A 74 8.447 -16.318 -21.631 1.00 32.31 H new ATOM 0 HB2 LEU A 74 10.189 -16.823 -19.660 1.00 42.43 H new ATOM 0 HB3 LEU A 74 10.144 -18.433 -20.352 1.00 42.43 H new ATOM 0 HG LEU A 74 10.592 -17.111 -22.615 1.00 55.14 H new ATOM 0 HD11 LEU A 74 12.096 -15.197 -22.233 1.00 75.43 H new ATOM 0 HD12 LEU A 74 10.458 -14.884 -21.612 1.00 75.43 H new ATOM 0 HD13 LEU A 74 11.772 -15.297 -20.486 1.00 75.43 H new ATOM 0 HD21 LEU A 74 13.001 -17.492 -22.265 1.00 10.32 H new ATOM 0 HD22 LEU A 74 12.713 -17.683 -20.520 1.00 10.32 H new ATOM 0 HD23 LEU A 74 12.024 -18.854 -21.669 1.00 10.32 H new ATOM 1207 N GLY A 78 0.670 -18.699 -18.520 1.00 2.13 N ATOM 1208 CA GLY A 78 -0.260 -18.883 -17.421 1.00 23.51 C ATOM 1209 C GLY A 78 0.004 -17.931 -16.272 1.00 3.12 C ATOM 1210 O GLY A 78 0.121 -18.353 -15.121 1.00 65.52 O ATOM 0 HA2 GLY A 78 -1.278 -18.738 -17.782 1.00 23.51 H new ATOM 0 HA3 GLY A 78 -0.193 -19.910 -17.061 1.00 23.51 H new ATOM 1214 N ILE A 79 0.100 -16.643 -16.583 1.00 52.32 N ATOM 1215 CA ILE A 79 0.352 -15.628 -15.567 1.00 63.44 C ATOM 1216 C ILE A 79 -0.627 -15.758 -14.406 1.00 54.40 C ATOM 1217 O ILE A 79 -0.275 -15.508 -13.254 1.00 11.51 O ATOM 1218 CB ILE A 79 0.252 -14.208 -16.153 1.00 40.43 C ATOM 1219 CG1 ILE A 79 1.246 -14.035 -17.304 1.00 21.44 C ATOM 1220 CG2 ILE A 79 0.502 -13.169 -15.070 1.00 61.10 C ATOM 1221 CD1 ILE A 79 1.077 -12.736 -18.059 1.00 4.55 C ATOM 0 H ILE A 79 0.007 -16.277 -17.531 1.00 52.32 H new ATOM 0 HA ILE A 79 1.366 -15.791 -15.203 1.00 63.44 H new ATOM 0 HB ILE A 79 -0.755 -14.063 -16.543 1.00 40.43 H new ATOM 0 HG12 ILE A 79 2.260 -14.086 -16.908 1.00 21.44 H new ATOM 0 HG13 ILE A 79 1.133 -14.867 -17.999 1.00 21.44 H new ATOM 0 HG21 ILE A 79 0.428 -12.170 -15.500 1.00 61.10 H new ATOM 0 HG22 ILE A 79 -0.241 -13.280 -14.281 1.00 61.10 H new ATOM 0 HG23 ILE A 79 1.499 -13.311 -14.653 1.00 61.10 H new ATOM 0 HD11 ILE A 79 1.815 -12.682 -18.860 1.00 4.55 H new ATOM 0 HD12 ILE A 79 0.075 -12.691 -18.485 1.00 4.55 H new ATOM 0 HD13 ILE A 79 1.220 -11.898 -17.377 1.00 4.55 H new ATOM 1233 N GLU A 80 -1.858 -16.151 -14.718 1.00 72.41 N ATOM 1234 CA GLU A 80 -2.889 -16.315 -13.699 1.00 45.14 C ATOM 1235 C GLU A 80 -2.496 -17.396 -12.697 1.00 22.40 C ATOM 1236 O GLU A 80 -2.793 -17.291 -11.507 1.00 64.15 O ATOM 1237 CB GLU A 80 -4.228 -16.669 -14.349 1.00 40.51 C ATOM 1238 CG GLU A 80 -5.023 -15.456 -14.803 1.00 13.13 C ATOM 1239 CD GLU A 80 -6.446 -15.805 -15.196 1.00 4.00 C ATOM 1240 OE1 GLU A 80 -6.686 -16.970 -15.576 1.00 74.03 O ATOM 1241 OE2 GLU A 80 -7.317 -14.914 -15.124 1.00 14.01 O ATOM 0 H GLU A 80 -2.166 -16.362 -15.667 1.00 72.41 H new ATOM 0 HA GLU A 80 -2.991 -15.370 -13.166 1.00 45.14 H new ATOM 0 HB2 GLU A 80 -4.046 -17.316 -15.207 1.00 40.51 H new ATOM 0 HB3 GLU A 80 -4.827 -17.241 -13.640 1.00 40.51 H new ATOM 0 HG2 GLU A 80 -5.042 -14.718 -14.001 1.00 13.13 H new ATOM 0 HG3 GLU A 80 -4.519 -14.992 -15.651 1.00 13.13 H new ATOM 1248 N GLU A 81 -1.827 -18.435 -13.188 1.00 32.33 N ATOM 1249 CA GLU A 81 -1.395 -19.537 -12.335 1.00 53.32 C ATOM 1250 C GLU A 81 -0.430 -19.046 -11.260 1.00 65.23 C ATOM 1251 O GLU A 81 -0.651 -19.255 -10.067 1.00 75.11 O ATOM 1252 CB GLU A 81 -0.730 -20.630 -13.174 1.00 43.41 C ATOM 1253 CG GLU A 81 -0.843 -22.018 -12.566 1.00 55.53 C ATOM 1254 CD GLU A 81 -0.059 -23.059 -13.340 1.00 74.44 C ATOM 1255 OE1 GLU A 81 -0.245 -24.264 -13.067 1.00 65.04 O ATOM 1256 OE2 GLU A 81 0.739 -22.671 -14.218 1.00 40.32 O ATOM 0 H GLU A 81 -1.573 -18.537 -14.171 1.00 32.33 H new ATOM 0 HA GLU A 81 -2.276 -19.952 -11.845 1.00 53.32 H new ATOM 0 HB2 GLU A 81 -1.181 -20.639 -14.166 1.00 43.41 H new ATOM 0 HB3 GLU A 81 0.324 -20.385 -13.305 1.00 43.41 H new ATOM 0 HG2 GLU A 81 -0.485 -21.990 -11.537 1.00 55.53 H new ATOM 0 HG3 GLU A 81 -1.892 -22.311 -12.531 1.00 55.53 H new ATOM 1263 N THR A 82 0.645 -18.393 -11.692 1.00 12.31 N ATOM 1264 CA THR A 82 1.646 -17.874 -10.768 1.00 51.25 C ATOM 1265 C THR A 82 1.092 -16.710 -9.955 1.00 2.15 C ATOM 1266 O THR A 82 1.175 -16.702 -8.726 1.00 63.42 O ATOM 1267 CB THR A 82 2.910 -17.408 -11.514 1.00 65.15 C ATOM 1268 OG1 THR A 82 2.939 -17.973 -12.830 1.00 41.20 O ATOM 1269 CG2 THR A 82 4.166 -17.812 -10.756 1.00 72.22 C ATOM 0 H THR A 82 0.844 -18.211 -12.676 1.00 12.31 H new ATOM 0 HA THR A 82 1.910 -18.691 -10.096 1.00 51.25 H new ATOM 0 HB THR A 82 2.882 -16.321 -11.586 1.00 65.15 H new ATOM 0 HG1 THR A 82 3.745 -17.670 -13.298 1.00 41.20 H new ATOM 0 HG21 THR A 82 5.046 -17.472 -11.302 1.00 72.22 H new ATOM 0 HG22 THR A 82 4.155 -17.357 -9.766 1.00 72.22 H new ATOM 0 HG23 THR A 82 4.198 -18.897 -10.656 1.00 72.22 H new ATOM 1277 N LYS A 83 0.526 -15.727 -10.646 1.00 40.22 N ATOM 1278 CA LYS A 83 -0.044 -14.557 -9.988 1.00 30.30 C ATOM 1279 C LYS A 83 -1.040 -14.971 -8.910 1.00 32.44 C ATOM 1280 O LYS A 83 -1.185 -14.293 -7.893 1.00 61.01 O ATOM 1281 CB LYS A 83 -0.733 -13.654 -11.014 1.00 22.33 C ATOM 1282 CG LYS A 83 -0.914 -12.223 -10.540 1.00 4.35 C ATOM 1283 CD LYS A 83 0.324 -11.384 -10.813 1.00 31.35 C ATOM 1284 CE LYS A 83 0.347 -10.129 -9.954 1.00 51.34 C ATOM 1285 NZ LYS A 83 -0.930 -9.368 -10.050 1.00 20.33 N ATOM 0 H LYS A 83 0.450 -15.717 -11.663 1.00 40.22 H new ATOM 0 HA LYS A 83 0.768 -14.005 -9.515 1.00 30.30 H new ATOM 0 HB2 LYS A 83 -0.149 -13.652 -11.934 1.00 22.33 H new ATOM 0 HB3 LYS A 83 -1.709 -14.074 -11.257 1.00 22.33 H new ATOM 0 HG2 LYS A 83 -1.774 -11.779 -11.042 1.00 4.35 H new ATOM 0 HG3 LYS A 83 -1.130 -12.217 -9.472 1.00 4.35 H new ATOM 0 HD2 LYS A 83 1.217 -11.977 -10.617 1.00 31.35 H new ATOM 0 HD3 LYS A 83 0.351 -11.106 -11.867 1.00 31.35 H new ATOM 0 HE2 LYS A 83 0.529 -10.403 -8.915 1.00 51.34 H new ATOM 0 HE3 LYS A 83 1.174 -9.491 -10.265 1.00 51.34 H new ATOM 0 HZ1 LYS A 83 -0.741 -8.355 -9.912 1.00 20.33 H new ATOM 0 HZ2 LYS A 83 -1.353 -9.516 -10.988 1.00 20.33 H new ATOM 0 HZ3 LYS A 83 -1.588 -9.701 -9.317 1.00 20.33 H new ATOM 1299 N GLN A 84 -1.723 -16.089 -9.138 1.00 44.24 N ATOM 1300 CA GLN A 84 -2.704 -16.593 -8.185 1.00 51.41 C ATOM 1301 C GLN A 84 -2.081 -16.770 -6.804 1.00 41.24 C ATOM 1302 O GLN A 84 -2.750 -16.601 -5.786 1.00 32.35 O ATOM 1303 CB GLN A 84 -3.282 -17.923 -8.671 1.00 54.32 C ATOM 1304 CG GLN A 84 -4.699 -17.809 -9.211 1.00 62.24 C ATOM 1305 CD GLN A 84 -5.337 -19.161 -9.464 1.00 40.22 C ATOM 1306 OE1 GLN A 84 -6.460 -19.421 -9.031 1.00 41.20 O ATOM 1307 NE2 GLN A 84 -4.623 -20.031 -10.169 1.00 42.51 N ATOM 0 H GLN A 84 -1.615 -16.662 -9.975 1.00 44.24 H new ATOM 0 HA GLN A 84 -3.508 -15.861 -8.109 1.00 51.41 H new ATOM 0 HB2 GLN A 84 -2.636 -18.327 -9.451 1.00 54.32 H new ATOM 0 HB3 GLN A 84 -3.272 -18.637 -7.847 1.00 54.32 H new ATOM 0 HG2 GLN A 84 -5.310 -17.250 -8.502 1.00 62.24 H new ATOM 0 HG3 GLN A 84 -4.685 -17.238 -10.140 1.00 62.24 H new ATOM 0 HE21 GLN A 84 -3.696 -19.774 -10.509 1.00 42.51 H new ATOM 0 HE22 GLN A 84 -5.001 -20.956 -10.371 1.00 42.51 H new ATOM 1316 N GLN A 85 -0.797 -17.111 -6.780 1.00 4.33 N ATOM 1317 CA GLN A 85 -0.084 -17.312 -5.523 1.00 51.34 C ATOM 1318 C GLN A 85 0.582 -16.019 -5.063 1.00 20.44 C ATOM 1319 O GLN A 85 0.410 -15.595 -3.920 1.00 11.42 O ATOM 1320 CB GLN A 85 0.966 -18.413 -5.679 1.00 33.34 C ATOM 1321 CG GLN A 85 0.457 -19.639 -6.420 1.00 55.22 C ATOM 1322 CD GLN A 85 -0.850 -20.161 -5.857 1.00 14.25 C ATOM 1323 OE1 GLN A 85 -0.980 -20.369 -4.650 1.00 32.41 O ATOM 1324 NE2 GLN A 85 -1.828 -20.375 -6.729 1.00 53.31 N ATOM 0 H GLN A 85 -0.229 -17.254 -7.615 1.00 4.33 H new ATOM 0 HA GLN A 85 -0.808 -17.615 -4.767 1.00 51.34 H new ATOM 0 HB2 GLN A 85 1.828 -18.009 -6.211 1.00 33.34 H new ATOM 0 HB3 GLN A 85 1.314 -18.714 -4.691 1.00 33.34 H new ATOM 0 HG2 GLN A 85 0.322 -19.392 -7.473 1.00 55.22 H new ATOM 0 HG3 GLN A 85 1.209 -20.426 -6.371 1.00 55.22 H new ATOM 0 HE21 GLN A 85 -1.677 -20.189 -7.720 1.00 53.31 H new ATOM 0 HE22 GLN A 85 -2.730 -20.725 -6.407 1.00 53.31 H new ATOM 1333 N ILE A 86 1.343 -15.400 -5.959 1.00 14.44 N ATOM 1334 CA ILE A 86 2.034 -14.156 -5.643 1.00 53.45 C ATOM 1335 C ILE A 86 1.058 -13.097 -5.140 1.00 42.05 C ATOM 1336 O ILE A 86 1.397 -12.283 -4.280 1.00 20.41 O ATOM 1337 CB ILE A 86 2.786 -13.604 -6.869 1.00 0.53 C ATOM 1338 CG1 ILE A 86 3.862 -14.592 -7.322 1.00 21.31 C ATOM 1339 CG2 ILE A 86 3.404 -12.251 -6.546 1.00 33.21 C ATOM 1340 CD1 ILE A 86 3.742 -14.991 -8.776 1.00 63.30 C ATOM 0 H ILE A 86 1.497 -15.739 -6.909 1.00 14.44 H new ATOM 0 HA ILE A 86 2.754 -14.385 -4.857 1.00 53.45 H new ATOM 0 HB ILE A 86 2.074 -13.472 -7.684 1.00 0.53 H new ATOM 0 HG12 ILE A 86 4.844 -14.149 -7.155 1.00 21.31 H new ATOM 0 HG13 ILE A 86 3.806 -15.487 -6.702 1.00 21.31 H new ATOM 0 HG21 ILE A 86 3.932 -11.874 -7.422 1.00 33.21 H new ATOM 0 HG22 ILE A 86 2.618 -11.550 -6.266 1.00 33.21 H new ATOM 0 HG23 ILE A 86 4.105 -12.359 -5.719 1.00 33.21 H new ATOM 0 HD11 ILE A 86 4.537 -15.693 -9.028 1.00 63.30 H new ATOM 0 HD12 ILE A 86 2.774 -15.463 -8.945 1.00 63.30 H new ATOM 0 HD13 ILE A 86 3.828 -14.105 -9.405 1.00 63.30 H new ATOM 1352 N LEU A 87 -0.155 -13.114 -5.681 1.00 51.02 N ATOM 1353 CA LEU A 87 -1.182 -12.156 -5.286 1.00 73.42 C ATOM 1354 C LEU A 87 -1.691 -12.453 -3.879 1.00 5.41 C ATOM 1355 O LEU A 87 -2.203 -11.568 -3.193 1.00 14.14 O ATOM 1356 CB LEU A 87 -2.346 -12.189 -6.278 1.00 51.34 C ATOM 1357 CG LEU A 87 -3.608 -11.434 -5.858 1.00 21.43 C ATOM 1358 CD1 LEU A 87 -3.363 -9.934 -5.875 1.00 12.43 C ATOM 1359 CD2 LEU A 87 -4.774 -11.797 -6.766 1.00 2.00 C ATOM 0 H LEU A 87 -0.452 -13.780 -6.394 1.00 51.02 H new ATOM 0 HA LEU A 87 -0.737 -11.161 -5.290 1.00 73.42 H new ATOM 0 HB2 LEU A 87 -2.000 -11.779 -7.227 1.00 51.34 H new ATOM 0 HB3 LEU A 87 -2.613 -13.230 -6.459 1.00 51.34 H new ATOM 0 HG LEU A 87 -3.862 -11.728 -4.840 1.00 21.43 H new ATOM 0 HD11 LEU A 87 -4.272 -9.413 -5.573 1.00 12.43 H new ATOM 0 HD12 LEU A 87 -2.558 -9.689 -5.182 1.00 12.43 H new ATOM 0 HD13 LEU A 87 -3.083 -9.622 -6.881 1.00 12.43 H new ATOM 0 HD21 LEU A 87 -5.663 -11.250 -6.452 1.00 2.00 H new ATOM 0 HD22 LEU A 87 -4.530 -11.533 -7.795 1.00 2.00 H new ATOM 0 HD23 LEU A 87 -4.965 -12.868 -6.702 1.00 2.00 H new ATOM 1371 N THR A 88 -1.543 -13.703 -3.453 1.00 20.42 N ATOM 1372 CA THR A 88 -1.986 -14.116 -2.127 1.00 63.52 C ATOM 1373 C THR A 88 -1.451 -13.178 -1.052 1.00 12.33 C ATOM 1374 O THR A 88 -2.111 -12.938 -0.041 1.00 52.34 O ATOM 1375 CB THR A 88 -1.536 -15.554 -1.807 1.00 64.54 C ATOM 1376 OG1 THR A 88 -2.008 -16.452 -2.818 1.00 42.14 O ATOM 1377 CG2 THR A 88 -2.057 -15.995 -0.448 1.00 4.23 C ATOM 0 H THR A 88 -1.120 -14.447 -4.007 1.00 20.42 H new ATOM 0 HA THR A 88 -3.075 -14.076 -2.131 1.00 63.52 H new ATOM 0 HB THR A 88 -0.446 -15.573 -1.784 1.00 64.54 H new ATOM 0 HG1 THR A 88 -1.716 -17.364 -2.608 1.00 42.14 H new ATOM 0 HG21 THR A 88 -1.726 -17.013 -0.245 1.00 4.23 H new ATOM 0 HG22 THR A 88 -1.672 -15.328 0.323 1.00 4.23 H new ATOM 0 HG23 THR A 88 -3.146 -15.960 -0.447 1.00 4.23 H new ATOM 1385 N GLU A 89 -0.252 -12.649 -1.276 1.00 72.34 N ATOM 1386 CA GLU A 89 0.370 -11.736 -0.325 1.00 21.42 C ATOM 1387 C GLU A 89 0.027 -10.287 -0.657 1.00 34.11 C ATOM 1388 O GLU A 89 -0.093 -9.445 0.234 1.00 31.44 O ATOM 1389 CB GLU A 89 1.889 -11.924 -0.322 1.00 34.40 C ATOM 1390 CG GLU A 89 2.517 -11.825 -1.702 1.00 12.52 C ATOM 1391 CD GLU A 89 4.016 -11.603 -1.646 1.00 12.43 C ATOM 1392 OE1 GLU A 89 4.450 -10.442 -1.797 1.00 44.20 O ATOM 1393 OE2 GLU A 89 4.754 -12.591 -1.450 1.00 43.30 O ATOM 0 H GLU A 89 0.308 -12.837 -2.108 1.00 72.34 H new ATOM 0 HA GLU A 89 -0.020 -11.965 0.667 1.00 21.42 H new ATOM 0 HB2 GLU A 89 2.338 -11.173 0.327 1.00 34.40 H new ATOM 0 HB3 GLU A 89 2.125 -12.898 0.107 1.00 34.40 H new ATOM 0 HG2 GLU A 89 2.309 -12.739 -2.258 1.00 12.52 H new ATOM 0 HG3 GLU A 89 2.052 -11.006 -2.251 1.00 12.52 H new ATOM 1400 N LEU A 90 -0.130 -10.003 -1.945 1.00 40.11 N ATOM 1401 CA LEU A 90 -0.459 -8.655 -2.397 1.00 32.42 C ATOM 1402 C LEU A 90 -1.660 -8.104 -1.635 1.00 74.13 C ATOM 1403 O LEU A 90 -1.722 -6.913 -1.334 1.00 3.43 O ATOM 1404 CB LEU A 90 -0.750 -8.656 -3.899 1.00 23.44 C ATOM 1405 CG LEU A 90 0.430 -8.319 -4.811 1.00 2.13 C ATOM 1406 CD1 LEU A 90 1.650 -9.146 -4.434 1.00 54.10 C ATOM 1407 CD2 LEU A 90 0.059 -8.546 -6.269 1.00 21.21 C ATOM 0 H LEU A 90 -0.035 -10.688 -2.695 1.00 40.11 H new ATOM 0 HA LEU A 90 0.399 -8.012 -2.200 1.00 32.42 H new ATOM 0 HB2 LEU A 90 -1.127 -9.641 -4.175 1.00 23.44 H new ATOM 0 HB3 LEU A 90 -1.550 -7.942 -4.094 1.00 23.44 H new ATOM 0 HG LEU A 90 0.677 -7.265 -4.680 1.00 2.13 H new ATOM 0 HD11 LEU A 90 2.480 -8.892 -5.094 1.00 54.10 H new ATOM 0 HD12 LEU A 90 1.929 -8.933 -3.402 1.00 54.10 H new ATOM 0 HD13 LEU A 90 1.417 -10.206 -4.535 1.00 54.10 H new ATOM 0 HD21 LEU A 90 0.911 -8.301 -6.904 1.00 21.21 H new ATOM 0 HD22 LEU A 90 -0.215 -9.591 -6.416 1.00 21.21 H new ATOM 0 HD23 LEU A 90 -0.785 -7.909 -6.533 1.00 21.21 H new ATOM 1419 N GLN A 91 -2.611 -8.980 -1.326 1.00 53.33 N ATOM 1420 CA GLN A 91 -3.810 -8.580 -0.598 1.00 62.03 C ATOM 1421 C GLN A 91 -3.894 -9.295 0.746 1.00 31.21 C ATOM 1422 O GLN A 91 -4.241 -8.692 1.762 1.00 70.02 O ATOM 1423 CB GLN A 91 -5.060 -8.880 -1.428 1.00 4.51 C ATOM 1424 CG GLN A 91 -4.962 -10.166 -2.232 1.00 34.24 C ATOM 1425 CD GLN A 91 -6.263 -10.944 -2.247 1.00 33.30 C ATOM 1426 OE1 GLN A 91 -7.347 -10.367 -2.155 1.00 2.42 O ATOM 1427 NE2 GLN A 91 -6.163 -12.263 -2.364 1.00 32.30 N ATOM 0 H GLN A 91 -2.575 -9.970 -1.568 1.00 53.33 H new ATOM 0 HA GLN A 91 -3.753 -7.507 -0.415 1.00 62.03 H new ATOM 0 HB2 GLN A 91 -5.921 -8.942 -0.763 1.00 4.51 H new ATOM 0 HB3 GLN A 91 -5.242 -8.049 -2.109 1.00 4.51 H new ATOM 0 HG2 GLN A 91 -4.673 -9.929 -3.256 1.00 34.24 H new ATOM 0 HG3 GLN A 91 -4.173 -10.792 -1.815 1.00 34.24 H new ATOM 0 HE21 GLN A 91 -5.244 -12.700 -2.438 1.00 32.30 H new ATOM 0 HE22 GLN A 91 -7.005 -12.839 -2.380 1.00 32.30 H new ATOM 1436 N LYS A 92 -3.575 -10.585 0.745 1.00 2.05 N ATOM 1437 CA LYS A 92 -3.613 -11.384 1.965 1.00 51.33 C ATOM 1438 C LYS A 92 -4.940 -11.200 2.694 1.00 11.12 C ATOM 1439 O LYS A 92 -5.131 -11.716 3.796 1.00 44.32 O ATOM 1440 CB LYS A 92 -2.454 -10.999 2.887 1.00 32.34 C ATOM 1441 CG LYS A 92 -1.786 -12.190 3.553 1.00 40.21 C ATOM 1442 CD LYS A 92 -2.254 -12.362 4.988 1.00 13.22 C ATOM 1443 CE LYS A 92 -1.560 -13.534 5.665 1.00 44.35 C ATOM 1444 NZ LYS A 92 -2.319 -14.020 6.850 1.00 51.23 N ATOM 0 H LYS A 92 -3.287 -11.100 -0.087 1.00 2.05 H new ATOM 0 HA LYS A 92 -3.514 -12.433 1.686 1.00 51.33 H new ATOM 0 HB2 LYS A 92 -1.709 -10.450 2.311 1.00 32.34 H new ATOM 0 HB3 LYS A 92 -2.823 -10.322 3.658 1.00 32.34 H new ATOM 0 HG2 LYS A 92 -2.006 -13.095 2.987 1.00 40.21 H new ATOM 0 HG3 LYS A 92 -0.704 -12.058 3.536 1.00 40.21 H new ATOM 0 HD2 LYS A 92 -2.056 -11.448 5.548 1.00 13.22 H new ATOM 0 HD3 LYS A 92 -3.333 -12.518 5.004 1.00 13.22 H new ATOM 0 HE2 LYS A 92 -1.443 -14.348 4.950 1.00 44.35 H new ATOM 0 HE3 LYS A 92 -0.559 -13.234 5.973 1.00 44.35 H new ATOM 0 HZ1 LYS A 92 -1.813 -14.819 7.283 1.00 51.23 H new ATOM 0 HZ2 LYS A 92 -2.409 -13.251 7.544 1.00 51.23 H new ATOM 0 HZ3 LYS A 92 -3.266 -14.331 6.552 1.00 51.23 H new