USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=16 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= -0.238 K(o=-0.53,f=-2.1!) USER MOD Set 1.2: A 82 THR OG1 : rot -110:sc= -0.29 USER MOD Set 2.1: A 8 CYS SG : rot 180:sc= 0.986 USER MOD Set 2.2: A 56 THR OG1 : rot -120:sc= 1.22 USER MOD Set 3.1: A 3 GLN : amide:sc= -0.308 X(o=0.57,f=0.81) USER MOD Set 3.2: A 49 THR OG1 : rot -98:sc= 0.875 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -176:sc= -0.191 (180deg=-0.237) USER MOD Single : A 15 SER OG : rot -31:sc= 0.321 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -3.09! C(o=-3.1!,f=-5.5!) USER MOD Single : A 20 ASN : amide:sc= 0.315 X(o=0.31,f=-0.018) USER MOD Single : A 25 MET CE :methyl -177:sc= -0.925 (180deg=-0.932) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.0687 X(o=-0.069,f=0.003) USER MOD Single : A 30 ASN : amide:sc= -0.77 X(o=-0.77,f=-1.1) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -159:sc= -0.109 (180deg=-0.662) USER MOD Single : A 37 GLN : amide:sc= -1.11 K(o=-1.1,f=-0.2) USER MOD Single : A 39 LYS NZ :NH3+ -136:sc= -0.0706 (180deg=-0.424) 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 100:sc= 1.12 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -159:sc= -0.0943 (180deg=-0.598) USER MOD Single : A 69 ASN : amide:sc= -2.31 K(o=-2.3,f=-5.1!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -0.0754 X(o=-0.075,f=-0.054) USER MOD Single : A 85 GLN : amide:sc= -0.0113 X(o=-0.011,f=-0.034) USER MOD Single : A 88 THR OG1 : rot 63:sc= 1.23 USER MOD Single : A 91 GLN : amide:sc= -0.363 K(o=-0.36,f=-1.2!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.582 0.384 -0.155 1.00 2.34 N ATOM 2 CA MET A 1 2.023 0.168 -1.528 1.00 12.11 C ATOM 3 C MET A 1 2.924 -1.059 -1.623 1.00 32.11 C ATOM 4 O MET A 1 3.926 -1.163 -0.915 1.00 34.11 O ATOM 5 CB MET A 1 2.764 1.401 -2.048 1.00 62.04 C ATOM 6 CG MET A 1 1.872 2.374 -2.802 1.00 74.41 C ATOM 7 SD MET A 1 2.809 3.534 -3.815 1.00 13.43 S ATOM 8 CE MET A 1 2.438 5.080 -2.989 1.00 30.02 C ATOM 0 H1 MET A 1 0.970 1.224 -0.115 1.00 2.34 H new ATOM 0 H2 MET A 1 1.050 -0.447 0.174 1.00 2.34 H new ATOM 0 H3 MET A 1 2.410 0.529 0.457 1.00 2.34 H new ATOM 0 HA MET A 1 1.140 -0.003 -2.144 1.00 12.11 H new ATOM 0 HB2 MET A 1 3.224 1.920 -1.207 1.00 62.04 H new ATOM 0 HB3 MET A 1 3.572 1.079 -2.704 1.00 62.04 H new ATOM 0 HG2 MET A 1 1.186 1.814 -3.438 1.00 74.41 H new ATOM 0 HG3 MET A 1 1.263 2.930 -2.089 1.00 74.41 H new ATOM 0 HE1 MET A 1 2.947 5.897 -3.500 1.00 30.02 H new ATOM 0 HE2 MET A 1 1.362 5.254 -3.009 1.00 30.02 H new ATOM 0 HE3 MET A 1 2.779 5.031 -1.955 1.00 30.02 H new ATOM 18 N LYS A 2 2.561 -1.987 -2.502 1.00 21.20 N ATOM 19 CA LYS A 2 3.337 -3.207 -2.691 1.00 35.41 C ATOM 20 C LYS A 2 4.429 -3.002 -3.735 1.00 50.43 C ATOM 21 O LYS A 2 4.158 -2.994 -4.936 1.00 21.22 O ATOM 22 CB LYS A 2 2.421 -4.358 -3.115 1.00 54.44 C ATOM 23 CG LYS A 2 1.264 -4.598 -2.161 1.00 13.20 C ATOM 24 CD LYS A 2 1.753 -4.876 -0.750 1.00 25.32 C ATOM 25 CE LYS A 2 2.554 -6.168 -0.683 1.00 4.35 C ATOM 26 NZ LYS A 2 2.621 -6.707 0.704 1.00 71.42 N ATOM 0 H LYS A 2 1.734 -1.917 -3.095 1.00 21.20 H new ATOM 0 HA LYS A 2 3.810 -3.457 -1.741 1.00 35.41 H new ATOM 0 HB2 LYS A 2 2.024 -4.148 -4.108 1.00 54.44 H new ATOM 0 HB3 LYS A 2 3.011 -5.271 -3.194 1.00 54.44 H new ATOM 0 HG2 LYS A 2 0.609 -3.726 -2.155 1.00 13.20 H new ATOM 0 HG3 LYS A 2 0.669 -5.441 -2.514 1.00 13.20 H new ATOM 0 HD2 LYS A 2 2.370 -4.046 -0.407 1.00 25.32 H new ATOM 0 HD3 LYS A 2 0.900 -4.940 -0.074 1.00 25.32 H new ATOM 0 HE2 LYS A 2 2.101 -6.911 -1.340 1.00 4.35 H new ATOM 0 HE3 LYS A 2 3.564 -5.989 -1.052 1.00 4.35 H new ATOM 0 HZ1 LYS A 2 3.231 -7.549 0.720 1.00 71.42 H new ATOM 0 HZ2 LYS A 2 3.014 -5.983 1.339 1.00 71.42 H new ATOM 0 HZ3 LYS A 2 1.665 -6.965 1.023 1.00 71.42 H new ATOM 40 N GLN A 3 5.663 -2.836 -3.270 1.00 31.32 N ATOM 41 CA GLN A 3 6.795 -2.631 -4.165 1.00 25.41 C ATOM 42 C GLN A 3 7.276 -3.957 -4.747 1.00 4.35 C ATOM 43 O GLN A 3 7.836 -4.792 -4.036 1.00 3.31 O ATOM 44 CB GLN A 3 7.941 -1.941 -3.423 1.00 31.04 C ATOM 45 CG GLN A 3 9.158 -1.674 -4.294 1.00 75.32 C ATOM 46 CD GLN A 3 10.224 -0.869 -3.578 1.00 33.34 C ATOM 47 OE1 GLN A 3 10.001 0.282 -3.202 1.00 41.12 O ATOM 48 NE2 GLN A 3 11.391 -1.472 -3.383 1.00 73.44 N ATOM 0 H GLN A 3 5.904 -2.840 -2.279 1.00 31.32 H new ATOM 0 HA GLN A 3 6.466 -1.993 -4.985 1.00 25.41 H new ATOM 0 HB2 GLN A 3 7.582 -0.996 -3.016 1.00 31.04 H new ATOM 0 HB3 GLN A 3 8.239 -2.560 -2.577 1.00 31.04 H new ATOM 0 HG2 GLN A 3 9.583 -2.624 -4.619 1.00 75.32 H new ATOM 0 HG3 GLN A 3 8.847 -1.140 -5.192 1.00 75.32 H new ATOM 0 HE21 GLN A 3 11.533 -2.427 -3.711 1.00 73.44 H new ATOM 0 HE22 GLN A 3 12.146 -0.980 -2.905 1.00 73.44 H new ATOM 57 N VAL A 4 7.054 -4.144 -6.044 1.00 10.33 N ATOM 58 CA VAL A 4 7.465 -5.367 -6.721 1.00 63.43 C ATOM 59 C VAL A 4 8.404 -5.063 -7.883 1.00 61.13 C ATOM 60 O VAL A 4 8.133 -4.183 -8.701 1.00 74.13 O ATOM 61 CB VAL A 4 6.250 -6.152 -7.250 1.00 32.13 C ATOM 62 CG1 VAL A 4 6.701 -7.410 -7.977 1.00 12.51 C ATOM 63 CG2 VAL A 4 5.302 -6.496 -6.111 1.00 21.05 C ATOM 0 H VAL A 4 6.592 -3.463 -6.647 1.00 10.33 H new ATOM 0 HA VAL A 4 7.988 -5.976 -5.984 1.00 63.43 H new ATOM 0 HB VAL A 4 5.715 -5.523 -7.961 1.00 32.13 H new ATOM 0 HG11 VAL A 4 5.829 -7.951 -8.343 1.00 12.51 H new ATOM 0 HG12 VAL A 4 7.337 -7.136 -8.818 1.00 12.51 H new ATOM 0 HG13 VAL A 4 7.261 -8.046 -7.291 1.00 12.51 H new ATOM 0 HG21 VAL A 4 4.449 -7.050 -6.502 1.00 21.05 H new ATOM 0 HG22 VAL A 4 5.825 -7.106 -5.374 1.00 21.05 H new ATOM 0 HG23 VAL A 4 4.952 -5.578 -5.639 1.00 21.05 H new ATOM 73 N LEU A 5 9.510 -5.797 -7.951 1.00 14.41 N ATOM 74 CA LEU A 5 10.490 -5.606 -9.014 1.00 23.20 C ATOM 75 C LEU A 5 10.564 -6.836 -9.914 1.00 15.42 C ATOM 76 O LEU A 5 9.896 -7.840 -9.666 1.00 52.23 O ATOM 77 CB LEU A 5 11.868 -5.314 -8.417 1.00 42.14 C ATOM 78 CG LEU A 5 11.979 -4.044 -7.574 1.00 15.55 C ATOM 79 CD1 LEU A 5 11.775 -4.362 -6.100 1.00 43.14 C ATOM 80 CD2 LEU A 5 13.326 -3.372 -7.795 1.00 12.41 C ATOM 0 H LEU A 5 9.750 -6.529 -7.283 1.00 14.41 H new ATOM 0 HA LEU A 5 10.174 -4.755 -9.618 1.00 23.20 H new ATOM 0 HB2 LEU A 5 12.161 -6.163 -7.799 1.00 42.14 H new ATOM 0 HB3 LEU A 5 12.589 -5.249 -9.232 1.00 42.14 H new ATOM 0 HG LEU A 5 11.196 -3.354 -7.888 1.00 15.55 H new ATOM 0 HD11 LEU A 5 11.858 -3.446 -5.515 1.00 43.14 H new ATOM 0 HD12 LEU A 5 10.786 -4.797 -5.955 1.00 43.14 H new ATOM 0 HD13 LEU A 5 12.535 -5.071 -5.772 1.00 43.14 H new ATOM 0 HD21 LEU A 5 13.387 -2.470 -7.187 1.00 12.41 H new ATOM 0 HD22 LEU A 5 14.125 -4.056 -7.510 1.00 12.41 H new ATOM 0 HD23 LEU A 5 13.433 -3.108 -8.847 1.00 12.41 H new ATOM 92 N VAL A 6 11.381 -6.750 -10.959 1.00 21.25 N ATOM 93 CA VAL A 6 11.545 -7.857 -11.894 1.00 14.33 C ATOM 94 C VAL A 6 12.955 -7.883 -12.473 1.00 32.14 C ATOM 95 O VAL A 6 13.298 -7.076 -13.336 1.00 14.23 O ATOM 96 CB VAL A 6 10.529 -7.770 -13.049 1.00 21.45 C ATOM 97 CG1 VAL A 6 10.715 -8.934 -14.011 1.00 54.50 C ATOM 98 CG2 VAL A 6 9.108 -7.738 -12.506 1.00 41.34 C ATOM 0 H VAL A 6 11.940 -5.925 -11.179 1.00 21.25 H new ATOM 0 HA VAL A 6 11.369 -8.775 -11.333 1.00 14.33 H new ATOM 0 HB VAL A 6 10.705 -6.845 -13.597 1.00 21.45 H new ATOM 0 HG11 VAL A 6 9.989 -8.857 -14.820 1.00 54.50 H new ATOM 0 HG12 VAL A 6 11.723 -8.907 -14.424 1.00 54.50 H new ATOM 0 HG13 VAL A 6 10.566 -9.873 -13.479 1.00 54.50 H new ATOM 0 HG21 VAL A 6 8.403 -7.676 -13.335 1.00 41.34 H new ATOM 0 HG22 VAL A 6 8.917 -8.646 -11.934 1.00 41.34 H new ATOM 0 HG23 VAL A 6 8.985 -6.869 -11.860 1.00 41.34 H new ATOM 108 N ALA A 7 13.768 -8.817 -11.992 1.00 25.34 N ATOM 109 CA ALA A 7 15.141 -8.951 -12.463 1.00 23.00 C ATOM 110 C ALA A 7 15.314 -10.214 -13.301 1.00 14.44 C ATOM 111 O ALA A 7 15.455 -11.312 -12.762 1.00 63.44 O ATOM 112 CB ALA A 7 16.105 -8.961 -11.286 1.00 0.24 C ATOM 0 H ALA A 7 13.500 -9.492 -11.276 1.00 25.34 H new ATOM 0 HA ALA A 7 15.366 -8.093 -13.096 1.00 23.00 H new ATOM 0 HB1 ALA A 7 17.126 -9.062 -11.653 1.00 0.24 H new ATOM 0 HB2 ALA A 7 16.010 -8.029 -10.730 1.00 0.24 H new ATOM 0 HB3 ALA A 7 15.871 -9.800 -10.631 1.00 0.24 H new ATOM 118 N CYS A 8 15.300 -10.050 -14.619 1.00 13.24 N ATOM 119 CA CYS A 8 15.453 -11.178 -15.531 1.00 10.41 C ATOM 120 C CYS A 8 16.803 -11.125 -16.238 1.00 62.03 C ATOM 121 O CYS A 8 17.047 -10.251 -17.069 1.00 10.44 O ATOM 122 CB CYS A 8 14.323 -11.184 -16.562 1.00 4.41 C ATOM 123 SG CYS A 8 14.412 -12.547 -17.746 1.00 32.31 S ATOM 0 H CYS A 8 15.184 -9.147 -15.080 1.00 13.24 H new ATOM 0 HA CYS A 8 15.405 -12.096 -14.946 1.00 10.41 H new ATOM 0 HB2 CYS A 8 13.368 -11.233 -16.039 1.00 4.41 H new ATOM 0 HB3 CYS A 8 14.339 -10.241 -17.108 1.00 4.41 H new ATOM 0 HG CYS A 8 13.414 -12.468 -18.575 1.00 32.31 H new ATOM 196 N SER A 15 11.692 -8.178 -20.676 1.00 1.12 N ATOM 197 CA SER A 15 10.859 -7.931 -19.504 1.00 64.05 C ATOM 198 C SER A 15 9.716 -6.979 -19.842 1.00 33.32 C ATOM 199 O SER A 15 9.329 -6.140 -19.027 1.00 73.44 O ATOM 200 CB SER A 15 11.702 -7.351 -18.367 1.00 32.23 C ATOM 201 OG SER A 15 12.601 -6.368 -18.848 1.00 43.31 O ATOM 0 HA SER A 15 10.434 -8.882 -19.183 1.00 64.05 H new ATOM 0 HB2 SER A 15 11.048 -6.912 -17.613 1.00 32.23 H new ATOM 0 HB3 SER A 15 12.260 -8.151 -17.879 1.00 32.23 H new ATOM 0 HG SER A 15 12.869 -6.590 -19.764 1.00 43.31 H new ATOM 207 N THR A 16 9.178 -7.115 -21.050 1.00 34.31 N ATOM 208 CA THR A 16 8.079 -6.268 -21.497 1.00 63.12 C ATOM 209 C THR A 16 6.737 -6.966 -21.313 1.00 55.13 C ATOM 210 O THR A 16 5.858 -6.467 -20.610 1.00 33.52 O ATOM 211 CB THR A 16 8.241 -5.873 -22.977 1.00 63.23 C ATOM 212 OG1 THR A 16 9.631 -5.781 -23.311 1.00 31.44 O ATOM 213 CG2 THR A 16 7.558 -4.544 -23.261 1.00 32.14 C ATOM 0 H THR A 16 9.486 -7.804 -21.736 1.00 34.31 H new ATOM 0 HA THR A 16 8.104 -5.368 -20.883 1.00 63.12 H new ATOM 0 HB THR A 16 7.771 -6.643 -23.588 1.00 63.23 H new ATOM 0 HG1 THR A 16 9.725 -5.531 -24.254 1.00 31.44 H new ATOM 0 HG21 THR A 16 7.686 -4.286 -24.312 1.00 32.14 H new ATOM 0 HG22 THR A 16 6.495 -4.625 -23.034 1.00 32.14 H new ATOM 0 HG23 THR A 16 8.003 -3.766 -22.640 1.00 32.14 H new ATOM 221 N VAL A 17 6.584 -8.123 -21.950 1.00 11.14 N ATOM 222 CA VAL A 17 5.348 -8.891 -21.854 1.00 40.45 C ATOM 223 C VAL A 17 4.942 -9.101 -20.400 1.00 42.40 C ATOM 224 O VAL A 17 3.771 -8.969 -20.046 1.00 15.42 O ATOM 225 CB VAL A 17 5.485 -10.263 -22.541 1.00 2.51 C ATOM 226 CG1 VAL A 17 4.206 -11.070 -22.381 1.00 61.02 C ATOM 227 CG2 VAL A 17 5.836 -10.090 -24.011 1.00 2.40 C ATOM 0 H VAL A 17 7.301 -8.549 -22.538 1.00 11.14 H new ATOM 0 HA VAL A 17 4.577 -8.313 -22.363 1.00 40.45 H new ATOM 0 HB VAL A 17 6.295 -10.812 -22.060 1.00 2.51 H new ATOM 0 HG11 VAL A 17 4.321 -12.036 -22.873 1.00 61.02 H new ATOM 0 HG12 VAL A 17 4.003 -11.224 -21.321 1.00 61.02 H new ATOM 0 HG13 VAL A 17 3.375 -10.529 -22.834 1.00 61.02 H new ATOM 0 HG21 VAL A 17 5.929 -11.069 -24.481 1.00 2.40 H new ATOM 0 HG22 VAL A 17 5.050 -9.522 -24.508 1.00 2.40 H new ATOM 0 HG23 VAL A 17 6.781 -9.554 -24.099 1.00 2.40 H new ATOM 237 N VAL A 18 5.919 -9.428 -19.560 1.00 60.11 N ATOM 238 CA VAL A 18 5.664 -9.655 -18.143 1.00 24.04 C ATOM 239 C VAL A 18 5.051 -8.421 -17.490 1.00 20.30 C ATOM 240 O VAL A 18 3.895 -8.439 -17.070 1.00 30.02 O ATOM 241 CB VAL A 18 6.957 -10.030 -17.393 1.00 52.31 C ATOM 242 CG1 VAL A 18 6.653 -10.370 -15.942 1.00 62.41 C ATOM 243 CG2 VAL A 18 7.657 -11.189 -18.086 1.00 42.32 C ATOM 0 H VAL A 18 6.894 -9.542 -19.837 1.00 60.11 H new ATOM 0 HA VAL A 18 4.960 -10.485 -18.077 1.00 24.04 H new ATOM 0 HB VAL A 18 7.627 -9.170 -17.407 1.00 52.31 H new ATOM 0 HG11 VAL A 18 7.578 -10.632 -15.428 1.00 62.41 H new ATOM 0 HG12 VAL A 18 6.199 -9.508 -15.454 1.00 62.41 H new ATOM 0 HG13 VAL A 18 5.964 -11.214 -15.903 1.00 62.41 H new ATOM 0 HG21 VAL A 18 8.568 -11.441 -17.543 1.00 42.32 H new ATOM 0 HG22 VAL A 18 6.995 -12.055 -18.105 1.00 42.32 H new ATOM 0 HG23 VAL A 18 7.910 -10.903 -19.107 1.00 42.32 H new ATOM 253 N ASN A 19 5.834 -7.350 -17.409 1.00 71.32 N ATOM 254 CA ASN A 19 5.368 -6.106 -16.807 1.00 73.44 C ATOM 255 C ASN A 19 4.036 -5.675 -17.413 1.00 53.34 C ATOM 256 O ASN A 19 3.114 -5.286 -16.698 1.00 34.32 O ATOM 257 CB ASN A 19 6.409 -5.002 -16.997 1.00 42.25 C ATOM 258 CG ASN A 19 5.853 -3.624 -16.692 1.00 63.31 C ATOM 259 OD1 ASN A 19 5.268 -3.400 -15.632 1.00 42.24 O ATOM 260 ND2 ASN A 19 6.034 -2.694 -17.622 1.00 41.12 N ATOM 0 H ASN A 19 6.794 -7.319 -17.753 1.00 71.32 H new ATOM 0 HA ASN A 19 5.223 -6.279 -15.741 1.00 73.44 H new ATOM 0 HB2 ASN A 19 7.264 -5.197 -16.350 1.00 42.25 H new ATOM 0 HB3 ASN A 19 6.775 -5.024 -18.024 1.00 42.25 H new ATOM 0 HD21 ASN A 19 5.682 -1.748 -17.473 1.00 41.12 H new ATOM 0 HD22 ASN A 19 6.525 -2.925 -18.486 1.00 41.12 H new ATOM 267 N ASN A 20 3.943 -5.746 -18.737 1.00 63.44 N ATOM 268 CA ASN A 20 2.724 -5.363 -19.440 1.00 63.13 C ATOM 269 C ASN A 20 1.552 -6.241 -19.013 1.00 55.55 C ATOM 270 O ASN A 20 0.414 -5.778 -18.933 1.00 1.33 O ATOM 271 CB ASN A 20 2.929 -5.467 -20.953 1.00 42.40 C ATOM 272 CG ASN A 20 3.482 -4.187 -21.550 1.00 63.25 C ATOM 273 OD1 ASN A 20 2.763 -3.434 -22.207 1.00 1.11 O ATOM 274 ND2 ASN A 20 4.767 -3.936 -21.325 1.00 73.22 N ATOM 0 H ASN A 20 4.697 -6.065 -19.345 1.00 63.44 H new ATOM 0 HA ASN A 20 2.494 -4.329 -19.181 1.00 63.13 H new ATOM 0 HB2 ASN A 20 3.611 -6.290 -21.169 1.00 42.40 H new ATOM 0 HB3 ASN A 20 1.979 -5.707 -21.430 1.00 42.40 H new ATOM 0 HD21 ASN A 20 5.195 -3.091 -21.703 1.00 73.22 H new ATOM 0 HD22 ASN A 20 5.325 -4.588 -20.775 1.00 73.22 H new ATOM 281 N ALA A 21 1.837 -7.509 -18.741 1.00 24.51 N ATOM 282 CA ALA A 21 0.808 -8.451 -18.320 1.00 34.13 C ATOM 283 C ALA A 21 0.399 -8.206 -16.871 1.00 70.11 C ATOM 284 O ALA A 21 -0.788 -8.208 -16.543 1.00 2.05 O ATOM 285 CB ALA A 21 1.295 -9.881 -18.498 1.00 24.32 C ATOM 0 H ALA A 21 2.773 -7.908 -18.805 1.00 24.51 H new ATOM 0 HA ALA A 21 -0.069 -8.297 -18.949 1.00 34.13 H new ATOM 0 HB1 ALA A 21 0.516 -10.573 -18.179 1.00 24.32 H new ATOM 0 HB2 ALA A 21 1.530 -10.057 -19.548 1.00 24.32 H new ATOM 0 HB3 ALA A 21 2.189 -10.039 -17.895 1.00 24.32 H new ATOM 291 N ILE A 22 1.388 -7.996 -16.010 1.00 25.44 N ATOM 292 CA ILE A 22 1.131 -7.750 -14.596 1.00 53.43 C ATOM 293 C ILE A 22 0.418 -6.417 -14.392 1.00 75.30 C ATOM 294 O ILE A 22 -0.620 -6.353 -13.733 1.00 42.44 O ATOM 295 CB ILE A 22 2.435 -7.752 -13.777 1.00 41.35 C ATOM 296 CG1 ILE A 22 3.157 -9.092 -13.931 1.00 44.34 C ATOM 297 CG2 ILE A 22 2.141 -7.468 -12.312 1.00 50.51 C ATOM 298 CD1 ILE A 22 2.319 -10.281 -13.518 1.00 2.01 C ATOM 0 H ILE A 22 2.375 -7.991 -16.266 1.00 25.44 H new ATOM 0 HA ILE A 22 0.491 -8.560 -14.246 1.00 53.43 H new ATOM 0 HB ILE A 22 3.086 -6.964 -14.156 1.00 41.35 H new ATOM 0 HG12 ILE A 22 3.460 -9.215 -14.971 1.00 44.34 H new ATOM 0 HG13 ILE A 22 4.068 -9.075 -13.333 1.00 44.34 H new ATOM 0 HG21 ILE A 22 3.073 -7.473 -11.746 1.00 50.51 H new ATOM 0 HG22 ILE A 22 1.665 -6.492 -12.219 1.00 50.51 H new ATOM 0 HG23 ILE A 22 1.474 -8.236 -11.919 1.00 50.51 H new ATOM 0 HD11 ILE A 22 2.895 -11.197 -13.654 1.00 2.01 H new ATOM 0 HD12 ILE A 22 2.038 -10.181 -12.470 1.00 2.01 H new ATOM 0 HD13 ILE A 22 1.420 -10.323 -14.132 1.00 2.01 H new ATOM 310 N GLU A 23 0.981 -5.357 -14.963 1.00 74.11 N ATOM 311 CA GLU A 23 0.397 -4.026 -14.844 1.00 61.10 C ATOM 312 C GLU A 23 -1.079 -4.043 -15.230 1.00 12.32 C ATOM 313 O GLU A 23 -1.885 -3.301 -14.670 1.00 15.03 O ATOM 314 CB GLU A 23 1.155 -3.032 -15.726 1.00 50.14 C ATOM 315 CG GLU A 23 0.898 -3.218 -17.212 1.00 60.13 C ATOM 316 CD GLU A 23 1.580 -2.161 -18.059 1.00 64.52 C ATOM 317 OE1 GLU A 23 0.915 -1.597 -18.953 1.00 33.33 O ATOM 318 OE2 GLU A 23 2.779 -1.899 -17.829 1.00 63.02 O ATOM 0 H GLU A 23 1.840 -5.394 -15.512 1.00 74.11 H new ATOM 0 HA GLU A 23 0.479 -3.713 -13.803 1.00 61.10 H new ATOM 0 HB2 GLU A 23 0.873 -2.018 -15.441 1.00 50.14 H new ATOM 0 HB3 GLU A 23 2.224 -3.131 -15.535 1.00 50.14 H new ATOM 0 HG2 GLU A 23 1.248 -4.204 -17.517 1.00 60.13 H new ATOM 0 HG3 GLU A 23 -0.176 -3.190 -17.398 1.00 60.13 H new ATOM 325 N GLU A 24 -1.424 -4.894 -16.191 1.00 11.01 N ATOM 326 CA GLU A 24 -2.803 -5.006 -16.653 1.00 2.05 C ATOM 327 C GLU A 24 -3.668 -5.716 -15.615 1.00 62.44 C ATOM 328 O GLU A 24 -4.838 -5.381 -15.433 1.00 4.23 O ATOM 329 CB GLU A 24 -2.859 -5.760 -17.983 1.00 21.45 C ATOM 330 CG GLU A 24 -4.240 -5.775 -18.616 1.00 61.02 C ATOM 331 CD GLU A 24 -4.523 -4.525 -19.426 1.00 72.05 C ATOM 332 OE1 GLU A 24 -4.301 -3.414 -18.900 1.00 34.52 O ATOM 333 OE2 GLU A 24 -4.967 -4.657 -20.586 1.00 44.12 O ATOM 0 H GLU A 24 -0.768 -5.516 -16.665 1.00 11.01 H new ATOM 0 HA GLU A 24 -3.194 -3.999 -16.799 1.00 2.05 H new ATOM 0 HB2 GLU A 24 -2.154 -5.305 -18.679 1.00 21.45 H new ATOM 0 HB3 GLU A 24 -2.531 -6.787 -17.823 1.00 21.45 H new ATOM 0 HG2 GLU A 24 -4.331 -6.649 -19.260 1.00 61.02 H new ATOM 0 HG3 GLU A 24 -4.993 -5.875 -17.834 1.00 61.02 H new ATOM 340 N MET A 25 -3.083 -6.700 -14.940 1.00 31.14 N ATOM 341 CA MET A 25 -3.800 -7.458 -13.920 1.00 42.23 C ATOM 342 C MET A 25 -4.027 -6.611 -12.672 1.00 43.43 C ATOM 343 O MET A 25 -5.151 -6.496 -12.185 1.00 23.14 O ATOM 344 CB MET A 25 -3.024 -8.725 -13.557 1.00 22.14 C ATOM 345 CG MET A 25 -3.207 -9.857 -14.554 1.00 72.41 C ATOM 346 SD MET A 25 -4.522 -10.996 -14.079 1.00 0.15 S ATOM 347 CE MET A 25 -3.583 -12.260 -13.226 1.00 22.42 C ATOM 0 H MET A 25 -2.116 -6.991 -15.080 1.00 31.14 H new ATOM 0 HA MET A 25 -4.771 -7.740 -14.327 1.00 42.23 H new ATOM 0 HB2 MET A 25 -1.964 -8.483 -13.485 1.00 22.14 H new ATOM 0 HB3 MET A 25 -3.341 -9.065 -12.571 1.00 22.14 H new ATOM 0 HG2 MET A 25 -3.431 -9.439 -15.535 1.00 72.41 H new ATOM 0 HG3 MET A 25 -2.271 -10.408 -14.648 1.00 72.41 H new ATOM 0 HE1 MET A 25 -4.251 -13.064 -12.918 1.00 22.42 H new ATOM 0 HE2 MET A 25 -2.819 -12.659 -13.894 1.00 22.42 H new ATOM 0 HE3 MET A 25 -3.106 -11.828 -12.346 1.00 22.42 H new ATOM 357 N ALA A 26 -2.952 -6.019 -12.160 1.00 71.54 N ATOM 358 CA ALA A 26 -3.035 -5.182 -10.970 1.00 51.35 C ATOM 359 C ALA A 26 -4.126 -4.127 -11.117 1.00 13.32 C ATOM 360 O ALA A 26 -4.842 -3.822 -10.163 1.00 35.43 O ATOM 361 CB ALA A 26 -1.693 -4.521 -10.696 1.00 5.42 C ATOM 0 H ALA A 26 -2.014 -6.104 -12.551 1.00 71.54 H new ATOM 0 HA ALA A 26 -3.293 -5.819 -10.124 1.00 51.35 H new ATOM 0 HB1 ALA A 26 -1.769 -3.899 -9.804 1.00 5.42 H new ATOM 0 HB2 ALA A 26 -0.935 -5.288 -10.539 1.00 5.42 H new ATOM 0 HB3 ALA A 26 -1.412 -3.902 -11.548 1.00 5.42 H new ATOM 367 N LYS A 27 -4.248 -3.571 -12.317 1.00 42.54 N ATOM 368 CA LYS A 27 -5.252 -2.549 -12.590 1.00 31.20 C ATOM 369 C LYS A 27 -6.659 -3.097 -12.372 1.00 63.50 C ATOM 370 O LYS A 27 -7.483 -2.469 -11.709 1.00 52.02 O ATOM 371 CB LYS A 27 -5.110 -2.035 -14.024 1.00 73.24 C ATOM 372 CG LYS A 27 -4.076 -0.933 -14.176 1.00 62.42 C ATOM 373 CD LYS A 27 -4.587 0.390 -13.633 1.00 54.42 C ATOM 374 CE LYS A 27 -5.403 1.142 -14.674 1.00 41.01 C ATOM 375 NZ LYS A 27 -5.712 2.532 -14.238 1.00 53.04 N ATOM 0 H LYS A 27 -3.663 -3.811 -13.118 1.00 42.54 H new ATOM 0 HA LYS A 27 -5.091 -1.723 -11.897 1.00 31.20 H new ATOM 0 HB2 LYS A 27 -4.840 -2.867 -14.674 1.00 73.24 H new ATOM 0 HB3 LYS A 27 -6.076 -1.664 -14.365 1.00 73.24 H new ATOM 0 HG2 LYS A 27 -3.163 -1.214 -13.651 1.00 62.42 H new ATOM 0 HG3 LYS A 27 -3.816 -0.819 -15.228 1.00 62.42 H new ATOM 0 HD2 LYS A 27 -5.200 0.210 -12.750 1.00 54.42 H new ATOM 0 HD3 LYS A 27 -3.744 1.004 -13.316 1.00 54.42 H new ATOM 0 HE2 LYS A 27 -4.854 1.170 -15.615 1.00 41.01 H new ATOM 0 HE3 LYS A 27 -6.333 0.606 -14.864 1.00 41.01 H new ATOM 0 HZ1 LYS A 27 -6.269 3.011 -14.974 1.00 53.04 H new ATOM 0 HZ2 LYS A 27 -6.258 2.505 -13.353 1.00 53.04 H new ATOM 0 HZ3 LYS A 27 -4.825 3.052 -14.082 1.00 53.04 H new ATOM 389 N GLU A 28 -6.924 -4.273 -12.933 1.00 34.11 N ATOM 390 CA GLU A 28 -8.232 -4.905 -12.798 1.00 44.03 C ATOM 391 C GLU A 28 -8.646 -4.990 -11.332 1.00 54.12 C ATOM 392 O GLU A 28 -9.823 -4.845 -10.999 1.00 30.22 O ATOM 393 CB GLU A 28 -8.212 -6.305 -13.416 1.00 53.31 C ATOM 394 CG GLU A 28 -9.560 -6.750 -13.958 1.00 13.42 C ATOM 395 CD GLU A 28 -9.682 -8.258 -14.052 1.00 71.13 C ATOM 396 OE1 GLU A 28 -9.262 -8.949 -13.101 1.00 1.44 O ATOM 397 OE2 GLU A 28 -10.198 -8.748 -15.079 1.00 12.22 O ATOM 0 H GLU A 28 -6.252 -4.807 -13.484 1.00 34.11 H new ATOM 0 HA GLU A 28 -8.961 -4.292 -13.328 1.00 44.03 H new ATOM 0 HB2 GLU A 28 -7.480 -6.326 -14.224 1.00 53.31 H new ATOM 0 HB3 GLU A 28 -7.878 -7.020 -12.664 1.00 53.31 H new ATOM 0 HG2 GLU A 28 -10.351 -6.365 -13.315 1.00 13.42 H new ATOM 0 HG3 GLU A 28 -9.712 -6.315 -14.946 1.00 13.42 H new ATOM 404 N HIS A 29 -7.671 -5.226 -10.460 1.00 74.21 N ATOM 405 CA HIS A 29 -7.934 -5.331 -9.029 1.00 52.32 C ATOM 406 C HIS A 29 -7.956 -3.951 -8.379 1.00 13.23 C ATOM 407 O HIS A 29 -8.585 -3.754 -7.340 1.00 21.03 O ATOM 408 CB HIS A 29 -6.877 -6.207 -8.358 1.00 25.14 C ATOM 409 CG HIS A 29 -6.940 -7.645 -8.771 1.00 64.22 C ATOM 410 ND1 HIS A 29 -7.780 -8.563 -8.177 1.00 52.14 N ATOM 411 CD2 HIS A 29 -6.261 -8.322 -9.727 1.00 53.03 C ATOM 412 CE1 HIS A 29 -7.615 -9.742 -8.749 1.00 70.31 C ATOM 413 NE2 HIS A 29 -6.699 -9.623 -9.693 1.00 71.12 N ATOM 0 H HIS A 29 -6.692 -5.348 -10.719 1.00 74.21 H new ATOM 0 HA HIS A 29 -8.913 -5.791 -8.897 1.00 52.32 H new ATOM 0 HB2 HIS A 29 -5.888 -5.813 -8.593 1.00 25.14 H new ATOM 0 HB3 HIS A 29 -6.997 -6.143 -7.277 1.00 25.14 H new ATOM 0 HD2 HIS A 29 -5.514 -7.915 -10.392 1.00 53.03 H new ATOM 0 HE1 HIS A 29 -8.140 -10.649 -8.489 1.00 70.31 H new ATOM 0 HE2 HIS A 29 -6.370 -10.375 -10.298 1.00 71.12 H new ATOM 421 N ASN A 30 -7.265 -2.999 -8.997 1.00 70.15 N ATOM 422 CA ASN A 30 -7.204 -1.638 -8.478 1.00 14.24 C ATOM 423 C ASN A 30 -6.464 -1.597 -7.144 1.00 61.14 C ATOM 424 O ASN A 30 -6.966 -1.053 -6.161 1.00 1.54 O ATOM 425 CB ASN A 30 -8.616 -1.071 -8.308 1.00 25.34 C ATOM 426 CG ASN A 30 -9.544 -1.484 -9.434 1.00 2.14 C ATOM 427 OD1 ASN A 30 -9.417 -1.010 -10.563 1.00 25.51 O ATOM 428 ND2 ASN A 30 -10.484 -2.371 -9.130 1.00 13.22 N ATOM 0 H ASN A 30 -6.739 -3.145 -9.859 1.00 70.15 H new ATOM 0 HA ASN A 30 -6.657 -1.026 -9.196 1.00 14.24 H new ATOM 0 HB2 ASN A 30 -9.029 -1.410 -7.358 1.00 25.34 H new ATOM 0 HB3 ASN A 30 -8.565 0.017 -8.263 1.00 25.34 H new ATOM 0 HD21 ASN A 30 -11.138 -2.686 -9.846 1.00 13.22 H new ATOM 0 HD22 ASN A 30 -10.552 -2.737 -8.180 1.00 13.22 H new ATOM 435 N ILE A 31 -5.268 -2.176 -7.120 1.00 52.11 N ATOM 436 CA ILE A 31 -4.458 -2.204 -5.909 1.00 31.23 C ATOM 437 C ILE A 31 -3.202 -1.354 -6.067 1.00 54.32 C ATOM 438 O ILE A 31 -2.657 -1.230 -7.164 1.00 25.41 O ATOM 439 CB ILE A 31 -4.048 -3.642 -5.539 1.00 44.13 C ATOM 440 CG1 ILE A 31 -5.278 -4.550 -5.491 1.00 22.25 C ATOM 441 CG2 ILE A 31 -3.317 -3.658 -4.205 1.00 13.22 C ATOM 442 CD1 ILE A 31 -4.940 -6.020 -5.374 1.00 45.03 C ATOM 0 H ILE A 31 -4.839 -2.632 -7.925 1.00 52.11 H new ATOM 0 HA ILE A 31 -5.073 -1.793 -5.109 1.00 31.23 H new ATOM 0 HB ILE A 31 -3.371 -4.020 -6.305 1.00 44.13 H new ATOM 0 HG12 ILE A 31 -5.901 -4.260 -4.645 1.00 22.25 H new ATOM 0 HG13 ILE A 31 -5.871 -4.392 -6.392 1.00 22.25 H new ATOM 0 HG21 ILE A 31 -3.034 -4.681 -3.957 1.00 13.22 H new ATOM 0 HG22 ILE A 31 -2.422 -3.040 -4.273 1.00 13.22 H new ATOM 0 HG23 ILE A 31 -3.971 -3.264 -3.427 1.00 13.22 H new ATOM 0 HD11 ILE A 31 -5.860 -6.604 -5.345 1.00 45.03 H new ATOM 0 HD12 ILE A 31 -4.343 -6.326 -6.233 1.00 45.03 H new ATOM 0 HD13 ILE A 31 -4.373 -6.191 -4.459 1.00 45.03 H new ATOM 454 N LYS A 32 -2.747 -0.769 -4.964 1.00 72.31 N ATOM 455 CA LYS A 32 -1.553 0.068 -4.978 1.00 34.31 C ATOM 456 C LYS A 32 -0.294 -0.783 -5.113 1.00 53.51 C ATOM 457 O LYS A 32 0.443 -0.976 -4.146 1.00 73.52 O ATOM 458 CB LYS A 32 -1.480 0.908 -3.701 1.00 23.32 C ATOM 459 CG LYS A 32 -2.800 1.556 -3.322 1.00 31.20 C ATOM 460 CD LYS A 32 -2.643 2.488 -2.133 1.00 4.52 C ATOM 461 CE LYS A 32 -2.576 1.716 -0.824 1.00 1.50 C ATOM 462 NZ LYS A 32 -2.795 2.601 0.354 1.00 54.24 N ATOM 0 H LYS A 32 -3.187 -0.859 -4.048 1.00 72.31 H new ATOM 0 HA LYS A 32 -1.615 0.733 -5.840 1.00 34.31 H new ATOM 0 HB2 LYS A 32 -1.146 0.275 -2.879 1.00 23.32 H new ATOM 0 HB3 LYS A 32 -0.727 1.686 -3.830 1.00 23.32 H new ATOM 0 HG2 LYS A 32 -3.190 2.114 -4.173 1.00 31.20 H new ATOM 0 HG3 LYS A 32 -3.531 0.783 -3.085 1.00 31.20 H new ATOM 0 HD2 LYS A 32 -1.737 3.083 -2.253 1.00 4.52 H new ATOM 0 HD3 LYS A 32 -3.480 3.185 -2.103 1.00 4.52 H new ATOM 0 HE2 LYS A 32 -3.327 0.926 -0.829 1.00 1.50 H new ATOM 0 HE3 LYS A 32 -1.604 1.231 -0.738 1.00 1.50 H new ATOM 0 HZ1 LYS A 32 -2.742 2.037 1.226 1.00 54.24 H new ATOM 0 HZ2 LYS A 32 -2.063 3.340 0.374 1.00 54.24 H new ATOM 0 HZ3 LYS A 32 -3.733 3.045 0.285 1.00 54.24 H new ATOM 476 N VAL A 33 -0.053 -1.287 -6.319 1.00 44.41 N ATOM 477 CA VAL A 33 1.119 -2.114 -6.581 1.00 50.13 C ATOM 478 C VAL A 33 2.154 -1.356 -7.405 1.00 53.12 C ATOM 479 O VAL A 33 1.880 -0.934 -8.529 1.00 34.01 O ATOM 480 CB VAL A 33 0.737 -3.409 -7.323 1.00 2.15 C ATOM 481 CG1 VAL A 33 1.925 -4.357 -7.387 1.00 73.24 C ATOM 482 CG2 VAL A 33 -0.453 -4.077 -6.650 1.00 5.55 C ATOM 0 H VAL A 33 -0.653 -1.137 -7.130 1.00 44.41 H new ATOM 0 HA VAL A 33 1.548 -2.371 -5.612 1.00 50.13 H new ATOM 0 HB VAL A 33 0.451 -3.153 -8.343 1.00 2.15 H new ATOM 0 HG11 VAL A 33 1.637 -5.266 -7.914 1.00 73.24 H new ATOM 0 HG12 VAL A 33 2.747 -3.875 -7.917 1.00 73.24 H new ATOM 0 HG13 VAL A 33 2.244 -4.610 -6.376 1.00 73.24 H new ATOM 0 HG21 VAL A 33 -0.709 -4.990 -7.187 1.00 5.55 H new ATOM 0 HG22 VAL A 33 -0.198 -4.322 -5.619 1.00 5.55 H new ATOM 0 HG23 VAL A 33 -1.306 -3.398 -6.661 1.00 5.55 H new ATOM 492 N ASP A 34 3.344 -1.187 -6.840 1.00 13.25 N ATOM 493 CA ASP A 34 4.422 -0.481 -7.522 1.00 54.43 C ATOM 494 C ASP A 34 5.262 -1.445 -8.354 1.00 11.13 C ATOM 495 O ASP A 34 6.027 -2.243 -7.811 1.00 75.33 O ATOM 496 CB ASP A 34 5.308 0.244 -6.508 1.00 60.12 C ATOM 497 CG ASP A 34 6.656 0.628 -7.087 1.00 74.32 C ATOM 498 OD1 ASP A 34 7.635 -0.111 -6.852 1.00 0.23 O ATOM 499 OD2 ASP A 34 6.731 1.666 -7.776 1.00 54.14 O ATOM 0 H ASP A 34 3.587 -1.530 -5.910 1.00 13.25 H new ATOM 0 HA ASP A 34 3.975 0.254 -8.192 1.00 54.43 H new ATOM 0 HB2 ASP A 34 4.797 1.141 -6.159 1.00 60.12 H new ATOM 0 HB3 ASP A 34 5.458 -0.396 -5.638 1.00 60.12 H new ATOM 504 N ILE A 35 5.114 -1.366 -9.672 1.00 14.43 N ATOM 505 CA ILE A 35 5.859 -2.231 -10.577 1.00 71.22 C ATOM 506 C ILE A 35 7.193 -1.602 -10.966 1.00 33.34 C ATOM 507 O ILE A 35 7.239 -0.482 -11.475 1.00 21.23 O ATOM 508 CB ILE A 35 5.055 -2.534 -11.856 1.00 2.33 C ATOM 509 CG1 ILE A 35 3.726 -3.204 -11.502 1.00 62.51 C ATOM 510 CG2 ILE A 35 5.866 -3.414 -12.795 1.00 32.31 C ATOM 511 CD1 ILE A 35 2.805 -3.384 -12.689 1.00 3.34 C ATOM 0 H ILE A 35 4.485 -0.711 -10.137 1.00 14.43 H new ATOM 0 HA ILE A 35 6.042 -3.163 -10.043 1.00 71.22 H new ATOM 0 HB ILE A 35 4.841 -1.594 -12.365 1.00 2.33 H new ATOM 0 HG12 ILE A 35 3.927 -4.179 -11.057 1.00 62.51 H new ATOM 0 HG13 ILE A 35 3.218 -2.607 -10.745 1.00 62.51 H new ATOM 0 HG21 ILE A 35 5.285 -3.619 -13.694 1.00 32.31 H new ATOM 0 HG22 ILE A 35 6.788 -2.901 -13.068 1.00 32.31 H new ATOM 0 HG23 ILE A 35 6.107 -4.353 -12.296 1.00 32.31 H new ATOM 0 HD11 ILE A 35 1.882 -3.865 -12.364 1.00 3.34 H new ATOM 0 HD12 ILE A 35 2.574 -2.410 -13.121 1.00 3.34 H new ATOM 0 HD13 ILE A 35 3.294 -4.007 -13.438 1.00 3.34 H new ATOM 523 N LYS A 36 8.277 -2.331 -10.723 1.00 71.15 N ATOM 524 CA LYS A 36 9.613 -1.848 -11.050 1.00 41.42 C ATOM 525 C LYS A 36 10.349 -2.843 -11.941 1.00 62.02 C ATOM 526 O LYS A 36 9.958 -4.005 -12.043 1.00 32.32 O ATOM 527 CB LYS A 36 10.416 -1.602 -9.771 1.00 11.43 C ATOM 528 CG LYS A 36 11.194 -0.297 -9.782 1.00 33.10 C ATOM 529 CD LYS A 36 11.887 -0.050 -8.453 1.00 3.12 C ATOM 530 CE LYS A 36 10.907 0.429 -7.393 1.00 51.11 C ATOM 531 NZ LYS A 36 10.234 1.696 -7.792 1.00 41.22 N ATOM 0 H LYS A 36 8.256 -3.259 -10.300 1.00 71.15 H new ATOM 0 HA LYS A 36 9.509 -0.909 -11.593 1.00 41.42 H new ATOM 0 HB2 LYS A 36 9.736 -1.602 -8.919 1.00 11.43 H new ATOM 0 HB3 LYS A 36 11.111 -2.428 -9.624 1.00 11.43 H new ATOM 0 HG2 LYS A 36 11.935 -0.321 -10.581 1.00 33.10 H new ATOM 0 HG3 LYS A 36 10.517 0.529 -10.000 1.00 33.10 H new ATOM 0 HD2 LYS A 36 12.368 -0.968 -8.116 1.00 3.12 H new ATOM 0 HD3 LYS A 36 12.674 0.693 -8.584 1.00 3.12 H new ATOM 0 HE2 LYS A 36 10.156 -0.342 -7.218 1.00 51.11 H new ATOM 0 HE3 LYS A 36 11.435 0.579 -6.451 1.00 51.11 H new ATOM 0 HZ1 LYS A 36 9.864 2.174 -6.946 1.00 41.22 H new ATOM 0 HZ2 LYS A 36 10.918 2.317 -8.269 1.00 41.22 H new ATOM 0 HZ3 LYS A 36 9.449 1.483 -8.440 1.00 41.22 H new ATOM 545 N GLN A 37 11.417 -2.379 -12.583 1.00 33.21 N ATOM 546 CA GLN A 37 12.207 -3.230 -13.464 1.00 62.24 C ATOM 547 C GLN A 37 13.683 -2.849 -13.410 1.00 12.21 C ATOM 548 O GLN A 37 14.088 -1.819 -13.949 1.00 53.43 O ATOM 549 CB GLN A 37 11.694 -3.127 -14.902 1.00 24.41 C ATOM 550 CG GLN A 37 10.180 -3.194 -15.014 1.00 32.42 C ATOM 551 CD GLN A 37 9.695 -3.093 -16.447 1.00 4.33 C ATOM 552 OE1 GLN A 37 9.601 -2.000 -17.006 1.00 53.11 O ATOM 553 NE2 GLN A 37 9.386 -4.235 -17.050 1.00 13.44 N ATOM 0 H GLN A 37 11.754 -1.419 -12.509 1.00 33.21 H new ATOM 0 HA GLN A 37 12.104 -4.260 -13.121 1.00 62.24 H new ATOM 0 HB2 GLN A 37 12.041 -2.189 -15.336 1.00 24.41 H new ATOM 0 HB3 GLN A 37 12.130 -3.933 -15.493 1.00 24.41 H new ATOM 0 HG2 GLN A 37 9.829 -4.131 -14.581 1.00 32.42 H new ATOM 0 HG3 GLN A 37 9.740 -2.387 -14.428 1.00 32.42 H new ATOM 0 HE21 GLN A 37 9.479 -5.118 -16.548 1.00 13.44 H new ATOM 0 HE22 GLN A 37 9.056 -4.229 -18.015 1.00 13.44 H new ATOM 562 N ILE A 38 14.481 -3.685 -12.755 1.00 62.34 N ATOM 563 CA ILE A 38 15.912 -3.435 -12.631 1.00 72.55 C ATOM 564 C ILE A 38 16.707 -4.732 -12.736 1.00 64.23 C ATOM 565 O ILE A 38 16.136 -5.819 -12.822 1.00 71.31 O ATOM 566 CB ILE A 38 16.249 -2.746 -11.296 1.00 44.24 C ATOM 567 CG1 ILE A 38 16.386 -3.784 -10.181 1.00 65.42 C ATOM 568 CG2 ILE A 38 15.181 -1.721 -10.945 1.00 4.02 C ATOM 569 CD1 ILE A 38 15.182 -4.689 -10.047 1.00 30.50 C ATOM 0 H ILE A 38 14.161 -4.541 -12.302 1.00 62.34 H new ATOM 0 HA ILE A 38 16.190 -2.774 -13.452 1.00 72.55 H new ATOM 0 HB ILE A 38 17.202 -2.227 -11.402 1.00 44.24 H new ATOM 0 HG12 ILE A 38 17.270 -4.394 -10.370 1.00 65.42 H new ATOM 0 HG13 ILE A 38 16.551 -3.269 -9.234 1.00 65.42 H new ATOM 0 HG21 ILE A 38 15.433 -1.242 -9.999 1.00 4.02 H new ATOM 0 HG22 ILE A 38 15.128 -0.967 -11.730 1.00 4.02 H new ATOM 0 HG23 ILE A 38 14.215 -2.218 -10.854 1.00 4.02 H new ATOM 0 HD11 ILE A 38 15.349 -5.399 -9.237 1.00 30.50 H new ATOM 0 HD12 ILE A 38 14.299 -4.089 -9.827 1.00 30.50 H new ATOM 0 HD13 ILE A 38 15.029 -5.232 -10.980 1.00 30.50 H new ATOM 581 N LYS A 39 18.030 -4.610 -12.727 1.00 65.41 N ATOM 582 CA LYS A 39 18.907 -5.772 -12.818 1.00 31.21 C ATOM 583 C LYS A 39 19.382 -6.204 -11.434 1.00 65.45 C ATOM 584 O LYS A 39 19.283 -5.447 -10.469 1.00 52.51 O ATOM 585 CB LYS A 39 20.112 -5.460 -13.708 1.00 54.44 C ATOM 586 CG LYS A 39 19.841 -5.659 -15.190 1.00 10.24 C ATOM 587 CD LYS A 39 21.117 -5.971 -15.953 1.00 23.34 C ATOM 588 CE LYS A 39 20.830 -6.296 -17.410 1.00 71.44 C ATOM 589 NZ LYS A 39 19.919 -7.466 -17.549 1.00 21.44 N ATOM 0 H LYS A 39 18.519 -3.718 -12.658 1.00 65.41 H new ATOM 0 HA LYS A 39 18.339 -6.590 -13.261 1.00 31.21 H new ATOM 0 HB2 LYS A 39 20.421 -4.428 -13.539 1.00 54.44 H new ATOM 0 HB3 LYS A 39 20.947 -6.095 -13.411 1.00 54.44 H new ATOM 0 HG2 LYS A 39 19.128 -6.472 -15.324 1.00 10.24 H new ATOM 0 HG3 LYS A 39 19.381 -4.760 -15.601 1.00 10.24 H new ATOM 0 HD2 LYS A 39 21.794 -5.119 -15.896 1.00 23.34 H new ATOM 0 HD3 LYS A 39 21.625 -6.814 -15.485 1.00 23.34 H new ATOM 0 HE2 LYS A 39 20.383 -5.428 -17.894 1.00 71.44 H new ATOM 0 HE3 LYS A 39 21.767 -6.502 -17.927 1.00 71.44 H new ATOM 0 HZ1 LYS A 39 20.275 -8.096 -18.296 1.00 21.44 H new ATOM 0 HZ2 LYS A 39 19.880 -7.985 -16.648 1.00 21.44 H new ATOM 0 HZ3 LYS A 39 18.965 -7.136 -17.800 1.00 21.44 H new ATOM 603 N ILE A 40 19.900 -7.425 -11.346 1.00 42.15 N ATOM 604 CA ILE A 40 20.393 -7.956 -10.082 1.00 3.54 C ATOM 605 C ILE A 40 21.406 -7.009 -9.446 1.00 62.30 C ATOM 606 O ILE A 40 21.537 -6.952 -8.223 1.00 4.12 O ATOM 607 CB ILE A 40 21.046 -9.338 -10.267 1.00 74.33 C ATOM 608 CG1 ILE A 40 19.974 -10.403 -10.512 1.00 44.02 C ATOM 609 CG2 ILE A 40 21.886 -9.695 -9.050 1.00 63.05 C ATOM 610 CD1 ILE A 40 19.469 -10.435 -11.938 1.00 24.33 C ATOM 0 H ILE A 40 19.989 -8.065 -12.136 1.00 42.15 H new ATOM 0 HA ILE A 40 19.529 -8.057 -9.425 1.00 3.54 H new ATOM 0 HB ILE A 40 21.701 -9.300 -11.137 1.00 74.33 H new ATOM 0 HG12 ILE A 40 20.381 -11.382 -10.257 1.00 44.02 H new ATOM 0 HG13 ILE A 40 19.134 -10.222 -9.841 1.00 44.02 H new ATOM 0 HG21 ILE A 40 22.341 -10.675 -9.196 1.00 63.05 H new ATOM 0 HG22 ILE A 40 22.668 -8.948 -8.916 1.00 63.05 H new ATOM 0 HG23 ILE A 40 21.251 -9.718 -8.164 1.00 63.05 H new ATOM 0 HD11 ILE A 40 18.712 -11.213 -12.039 1.00 24.33 H new ATOM 0 HD12 ILE A 40 19.032 -9.469 -12.191 1.00 24.33 H new ATOM 0 HD13 ILE A 40 20.298 -10.646 -12.613 1.00 24.33 H new ATOM 622 N THR A 41 22.121 -6.266 -10.285 1.00 51.40 N ATOM 623 CA THR A 41 23.122 -5.321 -9.806 1.00 52.21 C ATOM 624 C THR A 41 22.470 -4.038 -9.301 1.00 63.43 C ATOM 625 O THR A 41 23.004 -3.367 -8.419 1.00 52.31 O ATOM 626 CB THR A 41 24.135 -4.968 -10.911 1.00 42.31 C ATOM 627 OG1 THR A 41 25.216 -4.208 -10.360 1.00 4.33 O ATOM 628 CG2 THR A 41 23.467 -4.175 -12.024 1.00 44.25 C ATOM 0 H THR A 41 22.025 -6.301 -11.300 1.00 51.40 H new ATOM 0 HA THR A 41 23.647 -5.807 -8.983 1.00 52.21 H new ATOM 0 HB THR A 41 24.521 -5.897 -11.330 1.00 42.31 H new ATOM 0 HG1 THR A 41 25.856 -3.989 -11.069 1.00 4.33 H new ATOM 0 HG21 THR A 41 24.202 -3.937 -12.793 1.00 44.25 H new ATOM 0 HG22 THR A 41 22.663 -4.768 -12.461 1.00 44.25 H new ATOM 0 HG23 THR A 41 23.056 -3.251 -11.617 1.00 44.25 H new ATOM 636 N GLU A 42 21.314 -3.705 -9.866 1.00 70.33 N ATOM 637 CA GLU A 42 20.590 -2.502 -9.472 1.00 64.31 C ATOM 638 C GLU A 42 19.432 -2.845 -8.539 1.00 62.05 C ATOM 639 O GLU A 42 18.422 -2.142 -8.502 1.00 21.35 O ATOM 640 CB GLU A 42 20.065 -1.769 -10.708 1.00 12.44 C ATOM 641 CG GLU A 42 19.769 -0.299 -10.462 1.00 54.44 C ATOM 642 CD GLU A 42 20.994 0.478 -10.022 1.00 45.04 C ATOM 643 OE1 GLU A 42 21.995 0.481 -10.769 1.00 42.12 O ATOM 644 OE2 GLU A 42 20.952 1.083 -8.931 1.00 3.14 O ATOM 0 H GLU A 42 20.859 -4.251 -10.598 1.00 70.33 H new ATOM 0 HA GLU A 42 21.282 -1.850 -8.939 1.00 64.31 H new ATOM 0 HB2 GLU A 42 20.798 -1.854 -11.510 1.00 12.44 H new ATOM 0 HB3 GLU A 42 19.156 -2.261 -11.054 1.00 12.44 H new ATOM 0 HG2 GLU A 42 19.370 0.145 -11.374 1.00 54.44 H new ATOM 0 HG3 GLU A 42 18.995 -0.211 -9.700 1.00 54.44 H new ATOM 651 N VAL A 43 19.586 -3.931 -7.788 1.00 43.05 N ATOM 652 CA VAL A 43 18.555 -4.368 -6.855 1.00 54.23 C ATOM 653 C VAL A 43 19.071 -4.358 -5.421 1.00 62.00 C ATOM 654 O VAL A 43 18.534 -5.043 -4.552 1.00 13.02 O ATOM 655 CB VAL A 43 18.050 -5.782 -7.198 1.00 63.21 C ATOM 656 CG1 VAL A 43 19.061 -6.831 -6.758 1.00 14.20 C ATOM 657 CG2 VAL A 43 16.694 -6.034 -6.556 1.00 43.03 C ATOM 0 H VAL A 43 20.415 -4.524 -7.808 1.00 43.05 H new ATOM 0 HA VAL A 43 17.728 -3.664 -6.945 1.00 54.23 H new ATOM 0 HB VAL A 43 17.933 -5.855 -8.279 1.00 63.21 H new ATOM 0 HG11 VAL A 43 18.687 -7.824 -7.008 1.00 14.20 H new ATOM 0 HG12 VAL A 43 20.008 -6.660 -7.269 1.00 14.20 H new ATOM 0 HG13 VAL A 43 19.212 -6.761 -5.681 1.00 14.20 H new ATOM 0 HG21 VAL A 43 16.353 -7.038 -6.809 1.00 43.03 H new ATOM 0 HG22 VAL A 43 16.781 -5.943 -5.473 1.00 43.03 H new ATOM 0 HG23 VAL A 43 15.975 -5.302 -6.925 1.00 43.03 H new ATOM 667 N GLY A 44 20.119 -3.575 -5.180 1.00 73.32 N ATOM 668 CA GLY A 44 20.691 -3.490 -3.849 1.00 72.22 C ATOM 669 C GLY A 44 19.687 -3.018 -2.816 1.00 4.21 C ATOM 670 O GLY A 44 19.292 -3.762 -1.918 1.00 55.43 O ATOM 0 H GLY A 44 20.582 -2.998 -5.883 1.00 73.32 H new ATOM 0 HA2 GLY A 44 21.074 -4.468 -3.558 1.00 72.22 H new ATOM 0 HA3 GLY A 44 21.540 -2.807 -3.865 1.00 72.22 H new ATOM 674 N PRO A 45 19.261 -1.752 -2.935 1.00 50.31 N ATOM 675 CA PRO A 45 18.293 -1.152 -2.012 1.00 21.12 C ATOM 676 C PRO A 45 16.896 -1.741 -2.174 1.00 31.25 C ATOM 677 O PRO A 45 16.060 -1.636 -1.276 1.00 55.31 O ATOM 678 CB PRO A 45 18.298 0.328 -2.404 1.00 62.51 C ATOM 679 CG PRO A 45 18.731 0.340 -3.829 1.00 43.04 C ATOM 680 CD PRO A 45 19.691 -0.808 -3.981 1.00 35.11 C ATOM 0 HA PRO A 45 18.558 -1.332 -0.970 1.00 21.12 H new ATOM 0 HB2 PRO A 45 17.309 0.772 -2.287 1.00 62.51 H new ATOM 0 HB3 PRO A 45 18.981 0.901 -1.778 1.00 62.51 H new ATOM 0 HG2 PRO A 45 17.877 0.226 -4.497 1.00 43.04 H new ATOM 0 HG3 PRO A 45 19.210 1.285 -4.083 1.00 43.04 H new ATOM 0 HD2 PRO A 45 19.631 -1.254 -4.974 1.00 35.11 H new ATOM 0 HD3 PRO A 45 20.724 -0.490 -3.836 1.00 35.11 H new ATOM 688 N TYR A 46 16.650 -2.362 -3.322 1.00 10.40 N ATOM 689 CA TYR A 46 15.353 -2.966 -3.602 1.00 31.13 C ATOM 690 C TYR A 46 15.345 -4.442 -3.216 1.00 21.13 C ATOM 691 O TYR A 46 14.734 -5.268 -3.892 1.00 54.15 O ATOM 692 CB TYR A 46 15.004 -2.813 -5.083 1.00 42.01 C ATOM 693 CG TYR A 46 15.033 -1.381 -5.567 1.00 40.21 C ATOM 694 CD1 TYR A 46 14.262 -0.403 -4.950 1.00 43.11 C ATOM 695 CD2 TYR A 46 15.830 -1.006 -6.642 1.00 11.55 C ATOM 696 CE1 TYR A 46 14.285 0.907 -5.389 1.00 73.22 C ATOM 697 CE2 TYR A 46 15.860 0.302 -7.086 1.00 73.13 C ATOM 698 CZ TYR A 46 15.085 1.254 -6.457 1.00 44.32 C ATOM 699 OH TYR A 46 15.111 2.558 -6.898 1.00 63.53 O ATOM 0 H TYR A 46 17.332 -2.460 -4.074 1.00 10.40 H new ATOM 0 HA TYR A 46 14.603 -2.448 -3.004 1.00 31.13 H new ATOM 0 HB2 TYR A 46 15.704 -3.402 -5.675 1.00 42.01 H new ATOM 0 HB3 TYR A 46 14.011 -3.227 -5.258 1.00 42.01 H new ATOM 0 HD1 TYR A 46 13.634 -0.671 -4.113 1.00 43.11 H new ATOM 0 HD2 TYR A 46 16.436 -1.749 -7.139 1.00 11.55 H new ATOM 0 HE1 TYR A 46 13.680 1.655 -4.898 1.00 73.22 H new ATOM 0 HE2 TYR A 46 16.487 0.578 -7.921 1.00 73.13 H new ATOM 0 HH TYR A 46 15.726 2.634 -7.657 1.00 63.53 H new ATOM 709 N GLU A 47 16.029 -4.765 -2.122 1.00 52.33 N ATOM 710 CA GLU A 47 16.101 -6.141 -1.646 1.00 1.13 C ATOM 711 C GLU A 47 15.233 -6.334 -0.406 1.00 14.42 C ATOM 712 O GLU A 47 14.445 -7.277 -0.327 1.00 3.23 O ATOM 713 CB GLU A 47 17.550 -6.520 -1.331 1.00 13.21 C ATOM 714 CG GLU A 47 18.302 -7.091 -2.521 1.00 51.12 C ATOM 715 CD GLU A 47 18.823 -8.491 -2.264 1.00 62.55 C ATOM 716 OE1 GLU A 47 19.911 -8.618 -1.664 1.00 62.15 O ATOM 717 OE2 GLU A 47 18.144 -9.460 -2.663 1.00 60.44 O ATOM 0 H GLU A 47 16.540 -4.093 -1.550 1.00 52.33 H new ATOM 0 HA GLU A 47 15.726 -6.792 -2.436 1.00 1.13 H new ATOM 0 HB2 GLU A 47 18.077 -5.637 -0.968 1.00 13.21 H new ATOM 0 HB3 GLU A 47 17.558 -7.251 -0.522 1.00 13.21 H new ATOM 0 HG2 GLU A 47 17.643 -7.106 -3.389 1.00 51.12 H new ATOM 0 HG3 GLU A 47 19.138 -6.436 -2.766 1.00 51.12 H new ATOM 724 N ASP A 48 15.383 -5.434 0.560 1.00 54.32 N ATOM 725 CA ASP A 48 14.612 -5.503 1.796 1.00 24.32 C ATOM 726 C ASP A 48 13.368 -4.625 1.711 1.00 2.45 C ATOM 727 O ASP A 48 12.314 -4.969 2.246 1.00 75.00 O ATOM 728 CB ASP A 48 15.475 -5.074 2.984 1.00 31.42 C ATOM 729 CG ASP A 48 16.519 -6.112 3.346 1.00 64.01 C ATOM 730 OD1 ASP A 48 17.522 -6.227 2.609 1.00 34.34 O ATOM 731 OD2 ASP A 48 16.335 -6.808 4.366 1.00 61.21 O ATOM 0 H ASP A 48 16.031 -4.648 0.511 1.00 54.32 H new ATOM 0 HA ASP A 48 14.295 -6.536 1.941 1.00 24.32 H new ATOM 0 HB2 ASP A 48 15.970 -4.132 2.748 1.00 31.42 H new ATOM 0 HB3 ASP A 48 14.835 -4.891 3.847 1.00 31.42 H new ATOM 736 N THR A 49 13.498 -3.486 1.037 1.00 64.41 N ATOM 737 CA THR A 49 12.386 -2.557 0.884 1.00 22.10 C ATOM 738 C THR A 49 11.236 -3.198 0.116 1.00 51.10 C ATOM 739 O THR A 49 10.088 -3.166 0.558 1.00 51.51 O ATOM 740 CB THR A 49 12.823 -1.273 0.154 1.00 4.13 C ATOM 741 OG1 THR A 49 13.400 -1.603 -1.114 1.00 45.51 O ATOM 742 CG2 THR A 49 13.829 -0.493 0.987 1.00 1.24 C ATOM 0 H THR A 49 14.363 -3.185 0.588 1.00 64.41 H new ATOM 0 HA THR A 49 12.050 -2.299 1.888 1.00 22.10 H new ATOM 0 HB THR A 49 11.942 -0.650 0.001 1.00 4.13 H new ATOM 0 HG1 THR A 49 14.377 -1.611 -1.037 1.00 45.51 H new ATOM 0 HG21 THR A 49 14.123 0.410 0.451 1.00 1.24 H new ATOM 0 HG22 THR A 49 13.377 -0.218 1.940 1.00 1.24 H new ATOM 0 HG23 THR A 49 14.709 -1.111 1.167 1.00 1.24 H new ATOM 750 N ALA A 50 11.552 -3.780 -1.036 1.00 74.50 N ATOM 751 CA ALA A 50 10.544 -4.431 -1.864 1.00 61.52 C ATOM 752 C ALA A 50 9.721 -5.423 -1.049 1.00 72.12 C ATOM 753 O ALA A 50 10.062 -5.739 0.091 1.00 40.32 O ATOM 754 CB ALA A 50 11.203 -5.133 -3.043 1.00 54.51 C ATOM 0 H ALA A 50 12.498 -3.814 -1.417 1.00 74.50 H new ATOM 0 HA ALA A 50 9.869 -3.663 -2.242 1.00 61.52 H new ATOM 0 HB1 ALA A 50 10.439 -5.615 -3.653 1.00 54.51 H new ATOM 0 HB2 ALA A 50 11.742 -4.403 -3.647 1.00 54.51 H new ATOM 0 HB3 ALA A 50 11.901 -5.885 -2.675 1.00 54.51 H new ATOM 760 N ASP A 51 8.636 -5.910 -1.640 1.00 73.55 N ATOM 761 CA ASP A 51 7.763 -6.867 -0.969 1.00 64.10 C ATOM 762 C ASP A 51 7.788 -8.217 -1.680 1.00 0.33 C ATOM 763 O ASP A 51 7.715 -9.268 -1.042 1.00 4.25 O ATOM 764 CB ASP A 51 6.332 -6.332 -0.913 1.00 74.21 C ATOM 765 CG ASP A 51 5.619 -6.719 0.368 1.00 52.12 C ATOM 766 OD1 ASP A 51 5.391 -5.828 1.213 1.00 51.43 O ATOM 767 OD2 ASP A 51 5.288 -7.913 0.525 1.00 10.50 O ATOM 0 H ASP A 51 8.339 -5.658 -2.583 1.00 73.55 H new ATOM 0 HA ASP A 51 8.130 -7.006 0.048 1.00 64.10 H new ATOM 0 HB2 ASP A 51 6.350 -5.246 -1.002 1.00 74.21 H new ATOM 0 HB3 ASP A 51 5.771 -6.713 -1.767 1.00 74.21 H new ATOM 772 N LEU A 52 7.890 -8.181 -3.004 1.00 13.53 N ATOM 773 CA LEU A 52 7.923 -9.401 -3.802 1.00 52.01 C ATOM 774 C LEU A 52 8.721 -9.191 -5.085 1.00 24.24 C ATOM 775 O LEU A 52 8.524 -8.206 -5.797 1.00 62.14 O ATOM 776 CB LEU A 52 6.501 -9.851 -4.141 1.00 54.32 C ATOM 777 CG LEU A 52 6.275 -11.361 -4.220 1.00 62.15 C ATOM 778 CD1 LEU A 52 7.110 -11.967 -5.338 1.00 34.40 C ATOM 779 CD2 LEU A 52 6.604 -12.020 -2.889 1.00 3.01 C ATOM 0 H LEU A 52 7.951 -7.320 -3.547 1.00 13.53 H new ATOM 0 HA LEU A 52 8.413 -10.177 -3.214 1.00 52.01 H new ATOM 0 HB2 LEU A 52 5.824 -9.441 -3.392 1.00 54.32 H new ATOM 0 HB3 LEU A 52 6.221 -9.411 -5.098 1.00 54.32 H new ATOM 0 HG LEU A 52 5.223 -11.541 -4.441 1.00 62.15 H new ATOM 0 HD11 LEU A 52 6.937 -13.042 -5.380 1.00 34.40 H new ATOM 0 HD12 LEU A 52 6.826 -11.517 -6.289 1.00 34.40 H new ATOM 0 HD13 LEU A 52 8.166 -11.777 -5.147 1.00 34.40 H new ATOM 0 HD21 LEU A 52 6.437 -13.095 -2.964 1.00 3.01 H new ATOM 0 HD22 LEU A 52 7.648 -11.831 -2.638 1.00 3.01 H new ATOM 0 HD23 LEU A 52 5.963 -11.607 -2.110 1.00 3.01 H new ATOM 791 N LEU A 53 9.622 -10.124 -5.374 1.00 31.02 N ATOM 792 CA LEU A 53 10.449 -10.043 -6.572 1.00 65.14 C ATOM 793 C LEU A 53 10.092 -11.152 -7.557 1.00 21.12 C ATOM 794 O LEU A 53 9.735 -12.260 -7.157 1.00 23.41 O ATOM 795 CB LEU A 53 11.931 -10.133 -6.201 1.00 35.34 C ATOM 796 CG LEU A 53 12.921 -10.051 -7.363 1.00 34.51 C ATOM 797 CD1 LEU A 53 12.645 -8.821 -8.213 1.00 61.01 C ATOM 798 CD2 LEU A 53 14.351 -10.035 -6.845 1.00 3.53 C ATOM 0 H LEU A 53 9.798 -10.945 -4.795 1.00 31.02 H new ATOM 0 HA LEU A 53 10.258 -9.082 -7.050 1.00 65.14 H new ATOM 0 HB2 LEU A 53 12.158 -9.331 -5.499 1.00 35.34 H new ATOM 0 HB3 LEU A 53 12.097 -11.073 -5.675 1.00 35.34 H new ATOM 0 HG LEU A 53 12.793 -10.935 -7.988 1.00 34.51 H new ATOM 0 HD11 LEU A 53 13.359 -8.779 -9.035 1.00 61.01 H new ATOM 0 HD12 LEU A 53 11.633 -8.875 -8.614 1.00 61.01 H new ATOM 0 HD13 LEU A 53 12.745 -7.925 -7.600 1.00 61.01 H new ATOM 0 HD21 LEU A 53 15.042 -9.976 -7.686 1.00 3.53 H new ATOM 0 HD22 LEU A 53 14.494 -9.170 -6.197 1.00 3.53 H new ATOM 0 HD23 LEU A 53 14.544 -10.947 -6.280 1.00 3.53 H new ATOM 810 N VAL A 54 10.192 -10.846 -8.847 1.00 23.54 N ATOM 811 CA VAL A 54 9.883 -11.818 -9.889 1.00 20.12 C ATOM 812 C VAL A 54 11.040 -11.957 -10.871 1.00 62.15 C ATOM 813 O VAL A 54 11.274 -11.079 -11.702 1.00 54.53 O ATOM 814 CB VAL A 54 8.611 -11.425 -10.663 1.00 51.10 C ATOM 815 CG1 VAL A 54 8.324 -12.432 -11.766 1.00 63.13 C ATOM 816 CG2 VAL A 54 7.426 -11.308 -9.716 1.00 2.40 C ATOM 0 H VAL A 54 10.484 -9.933 -9.195 1.00 23.54 H new ATOM 0 HA VAL A 54 9.716 -12.773 -9.392 1.00 20.12 H new ATOM 0 HB VAL A 54 8.775 -10.452 -11.126 1.00 51.10 H new ATOM 0 HG11 VAL A 54 7.422 -12.137 -12.302 1.00 63.13 H new ATOM 0 HG12 VAL A 54 9.164 -12.461 -12.459 1.00 63.13 H new ATOM 0 HG13 VAL A 54 8.180 -13.420 -11.328 1.00 63.13 H new ATOM 0 HG21 VAL A 54 6.536 -11.030 -10.280 1.00 2.40 H new ATOM 0 HG22 VAL A 54 7.258 -12.265 -9.223 1.00 2.40 H new ATOM 0 HG23 VAL A 54 7.634 -10.545 -8.966 1.00 2.40 H new ATOM 826 N THR A 55 11.764 -13.068 -10.772 1.00 72.00 N ATOM 827 CA THR A 55 12.898 -13.323 -11.651 1.00 52.13 C ATOM 828 C THR A 55 12.797 -14.702 -12.293 1.00 53.33 C ATOM 829 O THR A 55 12.162 -15.607 -11.750 1.00 42.30 O ATOM 830 CB THR A 55 14.233 -13.220 -10.890 1.00 60.12 C ATOM 831 OG1 THR A 55 15.305 -13.691 -11.715 1.00 54.43 O ATOM 832 CG2 THR A 55 14.185 -14.028 -9.602 1.00 64.23 C ATOM 0 H THR A 55 11.584 -13.806 -10.091 1.00 72.00 H new ATOM 0 HA THR A 55 12.872 -12.560 -12.429 1.00 52.13 H new ATOM 0 HB THR A 55 14.402 -12.173 -10.638 1.00 60.12 H new ATOM 0 HG1 THR A 55 15.775 -12.926 -12.109 1.00 54.43 H new ATOM 0 HG21 THR A 55 15.139 -13.940 -9.082 1.00 64.23 H new ATOM 0 HG22 THR A 55 13.387 -13.648 -8.964 1.00 64.23 H new ATOM 0 HG23 THR A 55 13.995 -15.075 -9.836 1.00 64.23 H new ATOM 840 N THR A 56 13.427 -14.857 -13.454 1.00 20.04 N ATOM 841 CA THR A 56 13.408 -16.126 -14.170 1.00 53.11 C ATOM 842 C THR A 56 14.718 -16.883 -13.983 1.00 53.25 C ATOM 843 O THR A 56 14.729 -18.110 -13.893 1.00 12.05 O ATOM 844 CB THR A 56 13.159 -15.917 -15.676 1.00 34.22 C ATOM 845 OG1 THR A 56 14.316 -15.337 -16.288 1.00 32.20 O ATOM 846 CG2 THR A 56 11.953 -15.018 -15.905 1.00 70.33 C ATOM 0 H THR A 56 13.957 -14.119 -13.918 1.00 20.04 H new ATOM 0 HA THR A 56 12.590 -16.713 -13.752 1.00 53.11 H new ATOM 0 HB THR A 56 12.959 -16.889 -16.127 1.00 34.22 H new ATOM 0 HG1 THR A 56 14.077 -14.474 -16.686 1.00 32.20 H new ATOM 0 HG21 THR A 56 11.797 -14.885 -16.975 1.00 70.33 H new ATOM 0 HG22 THR A 56 11.068 -15.477 -15.463 1.00 70.33 H new ATOM 0 HG23 THR A 56 12.129 -14.048 -15.440 1.00 70.33 H new ATOM 854 N ALA A 57 15.820 -16.143 -13.927 1.00 2.14 N ATOM 855 CA ALA A 57 17.136 -16.745 -13.748 1.00 13.21 C ATOM 856 C ALA A 57 17.280 -17.345 -12.354 1.00 31.15 C ATOM 857 O ALA A 57 16.304 -17.457 -11.612 1.00 2.01 O ATOM 858 CB ALA A 57 18.226 -15.713 -13.996 1.00 22.12 C ATOM 0 H ALA A 57 15.828 -15.126 -14.003 1.00 2.14 H new ATOM 0 HA ALA A 57 17.242 -17.551 -14.474 1.00 13.21 H new ATOM 0 HB1 ALA A 57 19.203 -16.176 -13.859 1.00 22.12 H new ATOM 0 HB2 ALA A 57 18.144 -15.334 -15.015 1.00 22.12 H new ATOM 0 HB3 ALA A 57 18.113 -14.888 -13.292 1.00 22.12 H new ATOM 954 N TYR A 63 18.501 -13.995 -1.677 1.00 1.40 N ATOM 955 CA TYR A 63 17.254 -13.239 -1.678 1.00 41.10 C ATOM 956 C TYR A 63 16.577 -13.303 -0.312 1.00 60.14 C ATOM 957 O TYR A 63 16.413 -14.379 0.263 1.00 25.14 O ATOM 958 CB TYR A 63 16.309 -13.776 -2.754 1.00 52.11 C ATOM 959 CG TYR A 63 16.756 -13.463 -4.164 1.00 42.20 C ATOM 960 CD1 TYR A 63 16.775 -14.449 -5.143 1.00 13.11 C ATOM 961 CD2 TYR A 63 17.161 -12.182 -4.517 1.00 41.43 C ATOM 962 CE1 TYR A 63 17.183 -14.168 -6.432 1.00 43.23 C ATOM 963 CE2 TYR A 63 17.570 -11.891 -5.804 1.00 72.15 C ATOM 964 CZ TYR A 63 17.579 -12.887 -6.758 1.00 64.43 C ATOM 965 OH TYR A 63 17.987 -12.602 -8.041 1.00 62.42 O ATOM 0 HA TYR A 63 17.490 -12.198 -1.898 1.00 41.10 H new ATOM 0 HB2 TYR A 63 16.220 -14.857 -2.641 1.00 52.11 H new ATOM 0 HB3 TYR A 63 15.316 -13.357 -2.595 1.00 52.11 H new ATOM 0 HD1 TYR A 63 16.465 -15.453 -4.891 1.00 13.11 H new ATOM 0 HD2 TYR A 63 17.156 -11.400 -3.772 1.00 41.43 H new ATOM 0 HE1 TYR A 63 17.192 -14.946 -7.181 1.00 43.23 H new ATOM 0 HE2 TYR A 63 17.881 -10.889 -6.062 1.00 72.15 H new ATOM 0 HH TYR A 63 18.231 -11.655 -8.104 1.00 62.42 H new ATOM 975 N LYS A 64 16.184 -12.142 0.201 1.00 61.21 N ATOM 976 CA LYS A 64 15.522 -12.063 1.498 1.00 65.32 C ATOM 977 C LYS A 64 14.006 -12.036 1.334 1.00 2.43 C ATOM 978 O LYS A 64 13.302 -11.366 2.091 1.00 64.30 O ATOM 979 CB LYS A 64 15.987 -10.818 2.256 1.00 42.55 C ATOM 980 CG LYS A 64 17.490 -10.760 2.468 1.00 41.05 C ATOM 981 CD LYS A 64 17.951 -11.797 3.478 1.00 71.22 C ATOM 982 CE LYS A 64 17.488 -11.450 4.884 1.00 10.53 C ATOM 983 NZ LYS A 64 17.981 -10.112 5.316 1.00 60.32 N ATOM 0 H LYS A 64 16.313 -11.242 -0.262 1.00 61.21 H new ATOM 0 HA LYS A 64 15.792 -12.950 2.071 1.00 65.32 H new ATOM 0 HB2 LYS A 64 15.671 -9.930 1.708 1.00 42.55 H new ATOM 0 HB3 LYS A 64 15.490 -10.787 3.226 1.00 42.55 H new ATOM 0 HG2 LYS A 64 17.999 -10.924 1.518 1.00 41.05 H new ATOM 0 HG3 LYS A 64 17.772 -9.765 2.812 1.00 41.05 H new ATOM 0 HD2 LYS A 64 17.564 -12.777 3.198 1.00 71.22 H new ATOM 0 HD3 LYS A 64 19.039 -11.867 3.459 1.00 71.22 H new ATOM 0 HE2 LYS A 64 16.399 -11.465 4.922 1.00 10.53 H new ATOM 0 HE3 LYS A 64 17.842 -12.210 5.581 1.00 10.53 H new ATOM 0 HZ1 LYS A 64 17.963 -10.054 6.354 1.00 60.32 H new ATOM 0 HZ2 LYS A 64 18.955 -9.975 4.978 1.00 60.32 H new ATOM 0 HZ3 LYS A 64 17.369 -9.371 4.918 1.00 60.32 H new ATOM 997 N PHE A 65 13.509 -12.768 0.343 1.00 40.30 N ATOM 998 CA PHE A 65 12.076 -12.827 0.081 1.00 72.21 C ATOM 999 C PHE A 65 11.730 -14.038 -0.781 1.00 43.13 C ATOM 1000 O PHE A 65 12.574 -14.589 -1.488 1.00 61.33 O ATOM 1001 CB PHE A 65 11.609 -11.545 -0.610 1.00 55.44 C ATOM 1002 CG PHE A 65 12.568 -11.041 -1.651 1.00 13.34 C ATOM 1003 CD1 PHE A 65 13.171 -9.801 -1.513 1.00 70.02 C ATOM 1004 CD2 PHE A 65 12.866 -11.807 -2.766 1.00 53.42 C ATOM 1005 CE1 PHE A 65 14.054 -9.334 -2.468 1.00 64.44 C ATOM 1006 CE2 PHE A 65 13.749 -11.346 -3.724 1.00 54.53 C ATOM 1007 CZ PHE A 65 14.343 -10.107 -3.576 1.00 33.41 C ATOM 0 H PHE A 65 14.077 -13.329 -0.292 1.00 40.30 H new ATOM 0 HA PHE A 65 11.561 -12.924 1.037 1.00 72.21 H new ATOM 0 HB2 PHE A 65 10.641 -11.725 -1.077 1.00 55.44 H new ATOM 0 HB3 PHE A 65 11.461 -10.770 0.142 1.00 55.44 H new ATOM 0 HD1 PHE A 65 12.948 -9.192 -0.649 1.00 70.02 H new ATOM 0 HD2 PHE A 65 12.403 -12.775 -2.888 1.00 53.42 H new ATOM 0 HE1 PHE A 65 14.518 -8.366 -2.348 1.00 64.44 H new ATOM 0 HE2 PHE A 65 13.975 -11.954 -4.588 1.00 54.53 H new ATOM 0 HZ PHE A 65 15.031 -9.744 -4.325 1.00 33.41 H new ATOM 1017 N PRO A 66 10.459 -14.463 -0.722 1.00 44.50 N ATOM 1018 CA PRO A 66 9.972 -15.612 -1.490 1.00 42.14 C ATOM 1019 C PRO A 66 9.909 -15.324 -2.987 1.00 23.44 C ATOM 1020 O PRO A 66 8.846 -15.018 -3.526 1.00 31.10 O ATOM 1021 CB PRO A 66 8.566 -15.843 -0.931 1.00 3.53 C ATOM 1022 CG PRO A 66 8.146 -14.514 -0.402 1.00 63.45 C ATOM 1023 CD PRO A 66 9.400 -13.853 0.099 1.00 1.03 C ATOM 0 HA PRO A 66 10.631 -16.475 -1.394 1.00 42.14 H new ATOM 0 HB2 PRO A 66 7.885 -16.194 -1.706 1.00 3.53 H new ATOM 0 HB3 PRO A 66 8.571 -16.598 -0.145 1.00 3.53 H new ATOM 0 HG2 PRO A 66 7.674 -13.915 -1.181 1.00 63.45 H new ATOM 0 HG3 PRO A 66 7.417 -14.626 0.400 1.00 63.45 H new ATOM 0 HD2 PRO A 66 9.364 -12.771 -0.031 1.00 1.03 H new ATOM 0 HD3 PRO A 66 9.557 -14.041 1.161 1.00 1.03 H new ATOM 1031 N VAL A 67 11.055 -15.425 -3.653 1.00 22.33 N ATOM 1032 CA VAL A 67 11.130 -15.178 -5.088 1.00 12.44 C ATOM 1033 C VAL A 67 10.084 -15.992 -5.841 1.00 11.31 C ATOM 1034 O VAL A 67 9.781 -17.127 -5.471 1.00 4.51 O ATOM 1035 CB VAL A 67 12.526 -15.516 -5.644 1.00 11.33 C ATOM 1036 CG1 VAL A 67 12.570 -15.292 -7.148 1.00 22.24 C ATOM 1037 CG2 VAL A 67 13.593 -14.689 -4.942 1.00 31.32 C ATOM 0 H VAL A 67 11.944 -15.676 -3.221 1.00 22.33 H new ATOM 0 HA VAL A 67 10.936 -14.116 -5.237 1.00 12.44 H new ATOM 0 HB VAL A 67 12.730 -16.569 -5.452 1.00 11.33 H new ATOM 0 HG11 VAL A 67 13.564 -15.536 -7.523 1.00 22.24 H new ATOM 0 HG12 VAL A 67 11.832 -15.931 -7.633 1.00 22.24 H new ATOM 0 HG13 VAL A 67 12.346 -14.248 -7.367 1.00 22.24 H new ATOM 0 HG21 VAL A 67 14.573 -14.940 -5.347 1.00 31.32 H new ATOM 0 HG22 VAL A 67 13.395 -13.629 -5.102 1.00 31.32 H new ATOM 0 HG23 VAL A 67 13.576 -14.904 -3.874 1.00 31.32 H new ATOM 1047 N ILE A 68 9.535 -15.405 -6.899 1.00 44.04 N ATOM 1048 CA ILE A 68 8.524 -16.077 -7.706 1.00 42.21 C ATOM 1049 C ILE A 68 8.982 -16.221 -9.153 1.00 40.35 C ATOM 1050 O ILE A 68 9.104 -15.234 -9.877 1.00 43.34 O ATOM 1051 CB ILE A 68 7.185 -15.318 -7.676 1.00 54.33 C ATOM 1052 CG1 ILE A 68 6.668 -15.206 -6.240 1.00 63.42 C ATOM 1053 CG2 ILE A 68 6.161 -16.015 -8.560 1.00 41.53 C ATOM 1054 CD1 ILE A 68 6.343 -16.542 -5.610 1.00 25.44 C ATOM 0 H ILE A 68 9.773 -14.466 -7.217 1.00 44.04 H new ATOM 0 HA ILE A 68 8.381 -17.067 -7.273 1.00 42.21 H new ATOM 0 HB ILE A 68 7.347 -14.312 -8.063 1.00 54.33 H new ATOM 0 HG12 ILE A 68 7.416 -14.699 -5.631 1.00 63.42 H new ATOM 0 HG13 ILE A 68 5.774 -14.582 -6.232 1.00 63.42 H new ATOM 0 HG21 ILE A 68 5.220 -15.467 -8.528 1.00 41.53 H new ATOM 0 HG22 ILE A 68 6.528 -16.047 -9.586 1.00 41.53 H new ATOM 0 HG23 ILE A 68 6.001 -17.031 -8.200 1.00 41.53 H new ATOM 0 HD11 ILE A 68 5.982 -16.387 -4.593 1.00 25.44 H new ATOM 0 HD12 ILE A 68 5.572 -17.043 -6.196 1.00 25.44 H new ATOM 0 HD13 ILE A 68 7.240 -17.161 -5.586 1.00 25.44 H new ATOM 1066 N ASN A 69 9.232 -17.458 -9.569 1.00 62.20 N ATOM 1067 CA ASN A 69 9.675 -17.732 -10.931 1.00 64.12 C ATOM 1068 C ASN A 69 8.583 -17.387 -11.939 1.00 12.25 C ATOM 1069 O ASN A 69 7.439 -17.820 -11.802 1.00 0.43 O ATOM 1070 CB ASN A 69 10.071 -19.203 -11.075 1.00 33.20 C ATOM 1071 CG ASN A 69 11.202 -19.404 -12.065 1.00 1.33 C ATOM 1072 OD1 ASN A 69 11.491 -18.527 -12.880 1.00 25.44 O ATOM 1073 ND2 ASN A 69 11.848 -20.562 -11.998 1.00 71.11 N ATOM 0 H ASN A 69 9.135 -18.287 -8.982 1.00 62.20 H new ATOM 0 HA ASN A 69 10.544 -17.107 -11.136 1.00 64.12 H new ATOM 0 HB2 ASN A 69 10.370 -19.593 -10.102 1.00 33.20 H new ATOM 0 HB3 ASN A 69 9.204 -19.780 -11.396 1.00 33.20 H new ATOM 0 HD21 ASN A 69 12.618 -20.754 -12.638 1.00 71.11 H new ATOM 0 HD22 ASN A 69 11.574 -21.260 -11.306 1.00 71.11 H new ATOM 1080 N ALA A 70 8.944 -16.605 -12.950 1.00 43.25 N ATOM 1081 CA ALA A 70 7.996 -16.203 -13.982 1.00 63.53 C ATOM 1082 C ALA A 70 8.259 -16.946 -15.288 1.00 40.01 C ATOM 1083 O ALA A 70 8.088 -16.391 -16.374 1.00 33.43 O ATOM 1084 CB ALA A 70 8.064 -14.700 -14.205 1.00 52.11 C ATOM 0 H ALA A 70 9.887 -16.237 -13.077 1.00 43.25 H new ATOM 0 HA ALA A 70 6.994 -16.463 -13.641 1.00 63.53 H new ATOM 0 HB1 ALA A 70 7.351 -14.414 -14.978 1.00 52.11 H new ATOM 0 HB2 ALA A 70 7.820 -14.183 -13.277 1.00 52.11 H new ATOM 0 HB3 ALA A 70 9.070 -14.424 -14.520 1.00 52.11 H new ATOM 1090 N ARG A 71 8.676 -18.203 -15.175 1.00 44.31 N ATOM 1091 CA ARG A 71 8.965 -19.020 -16.347 1.00 73.23 C ATOM 1092 C ARG A 71 7.743 -19.117 -17.256 1.00 61.14 C ATOM 1093 O ARG A 71 7.869 -19.153 -18.480 1.00 12.24 O ATOM 1094 CB ARG A 71 9.409 -20.421 -15.922 1.00 4.22 C ATOM 1095 CG ARG A 71 10.834 -20.473 -15.394 1.00 72.41 C ATOM 1096 CD ARG A 71 11.539 -21.752 -15.820 1.00 52.21 C ATOM 1097 NE ARG A 71 11.184 -22.883 -14.967 1.00 52.21 N ATOM 1098 CZ ARG A 71 11.916 -23.987 -14.868 1.00 52.12 C ATOM 1099 NH1 ARG A 71 13.037 -24.107 -15.565 1.00 61.53 N ATOM 1100 NH2 ARG A 71 11.527 -24.973 -14.070 1.00 73.13 N ATOM 0 H ARG A 71 8.821 -18.677 -14.284 1.00 44.31 H new ATOM 0 HA ARG A 71 9.773 -18.543 -16.901 1.00 73.23 H new ATOM 0 HB2 ARG A 71 8.731 -20.790 -15.152 1.00 4.22 H new ATOM 0 HB3 ARG A 71 9.321 -21.095 -16.774 1.00 4.22 H new ATOM 0 HG2 ARG A 71 11.391 -19.610 -15.760 1.00 72.41 H new ATOM 0 HG3 ARG A 71 10.823 -20.407 -14.306 1.00 72.41 H new ATOM 0 HD2 ARG A 71 11.280 -21.982 -16.853 1.00 52.21 H new ATOM 0 HD3 ARG A 71 12.618 -21.599 -15.789 1.00 52.21 H new ATOM 0 HE ARG A 71 10.327 -22.822 -14.417 1.00 52.21 H new ATOM 0 HH11 ARG A 71 13.339 -23.351 -16.179 1.00 61.53 H new ATOM 0 HH12 ARG A 71 13.597 -24.956 -15.487 1.00 61.53 H new ATOM 0 HH21 ARG A 71 10.665 -24.884 -13.532 1.00 73.13 H new ATOM 0 HH22 ARG A 71 12.090 -25.820 -13.995 1.00 73.13 H new ATOM 1114 N ASN A 72 6.562 -19.160 -16.649 1.00 13.30 N ATOM 1115 CA ASN A 72 5.317 -19.254 -17.404 1.00 2.44 C ATOM 1116 C ASN A 72 5.181 -18.086 -18.376 1.00 1.22 C ATOM 1117 O ASN A 72 4.750 -18.260 -19.516 1.00 20.12 O ATOM 1118 CB ASN A 72 4.120 -19.281 -16.451 1.00 71.23 C ATOM 1119 CG ASN A 72 4.142 -18.133 -15.461 1.00 25.12 C ATOM 1120 OD1 ASN A 72 5.040 -18.039 -14.623 1.00 53.11 O ATOM 1121 ND2 ASN A 72 3.152 -17.253 -15.552 1.00 60.34 N ATOM 0 H ASN A 72 6.440 -19.131 -15.637 1.00 13.30 H new ATOM 0 HA ASN A 72 5.338 -20.181 -17.978 1.00 2.44 H new ATOM 0 HB2 ASN A 72 3.197 -19.240 -17.030 1.00 71.23 H new ATOM 0 HB3 ASN A 72 4.113 -20.226 -15.907 1.00 71.23 H new ATOM 0 HD21 ASN A 72 3.114 -16.460 -14.912 1.00 60.34 H new ATOM 0 HD22 ASN A 72 2.429 -17.370 -16.262 1.00 60.34 H new ATOM 1128 N PHE A 73 5.552 -16.895 -17.917 1.00 63.03 N ATOM 1129 CA PHE A 73 5.472 -15.698 -18.746 1.00 14.32 C ATOM 1130 C PHE A 73 6.223 -15.894 -20.060 1.00 15.24 C ATOM 1131 O PHE A 73 5.813 -15.385 -21.104 1.00 71.21 O ATOM 1132 CB PHE A 73 6.041 -14.493 -17.995 1.00 4.44 C ATOM 1133 CG PHE A 73 5.159 -14.009 -16.880 1.00 15.20 C ATOM 1134 CD1 PHE A 73 5.138 -14.665 -15.660 1.00 22.11 C ATOM 1135 CD2 PHE A 73 4.348 -12.898 -17.053 1.00 24.04 C ATOM 1136 CE1 PHE A 73 4.327 -14.222 -14.632 1.00 21.40 C ATOM 1137 CE2 PHE A 73 3.536 -12.450 -16.028 1.00 72.42 C ATOM 1138 CZ PHE A 73 3.524 -13.114 -14.817 1.00 21.11 C ATOM 0 H PHE A 73 5.911 -16.733 -16.976 1.00 63.03 H new ATOM 0 HA PHE A 73 4.422 -15.513 -18.973 1.00 14.32 H new ATOM 0 HB2 PHE A 73 7.017 -14.757 -17.587 1.00 4.44 H new ATOM 0 HB3 PHE A 73 6.201 -13.678 -18.701 1.00 4.44 H new ATOM 0 HD1 PHE A 73 5.763 -15.533 -15.510 1.00 22.11 H new ATOM 0 HD2 PHE A 73 4.351 -12.377 -17.999 1.00 24.04 H new ATOM 0 HE1 PHE A 73 4.321 -14.742 -13.685 1.00 21.40 H new ATOM 0 HE2 PHE A 73 2.911 -11.581 -16.174 1.00 72.42 H new ATOM 0 HZ PHE A 73 2.888 -12.767 -14.016 1.00 21.11 H new ATOM 1148 N LEU A 74 7.324 -16.634 -20.000 1.00 0.15 N ATOM 1149 CA LEU A 74 8.134 -16.898 -21.184 1.00 0.22 C ATOM 1150 C LEU A 74 7.647 -18.148 -21.909 1.00 21.21 C ATOM 1151 O LEU A 74 7.690 -18.224 -23.137 1.00 43.14 O ATOM 1152 CB LEU A 74 9.604 -17.060 -20.794 1.00 63.24 C ATOM 1153 CG LEU A 74 10.426 -15.772 -20.721 1.00 75.44 C ATOM 1154 CD1 LEU A 74 10.473 -15.092 -22.080 1.00 51.35 C ATOM 1155 CD2 LEU A 74 9.851 -14.832 -19.672 1.00 30.33 C ATOM 0 H LEU A 74 7.677 -17.062 -19.144 1.00 0.15 H new ATOM 0 HA LEU A 74 8.035 -16.048 -21.859 1.00 0.22 H new ATOM 0 HB2 LEU A 74 9.649 -17.551 -19.822 1.00 63.24 H new ATOM 0 HB3 LEU A 74 10.078 -17.729 -21.512 1.00 63.24 H new ATOM 0 HG LEU A 74 11.445 -16.029 -20.431 1.00 75.44 H new ATOM 0 HD11 LEU A 74 11.062 -14.178 -22.009 1.00 51.35 H new ATOM 0 HD12 LEU A 74 10.931 -15.763 -22.807 1.00 51.35 H new ATOM 0 HD13 LEU A 74 9.460 -14.847 -22.400 1.00 51.35 H new ATOM 0 HD21 LEU A 74 10.448 -13.921 -19.634 1.00 30.33 H new ATOM 0 HD22 LEU A 74 8.823 -14.581 -19.933 1.00 30.33 H new ATOM 0 HD23 LEU A 74 9.870 -15.319 -18.697 1.00 30.33 H new ATOM 1207 N GLY A 78 0.265 -18.827 -18.447 1.00 13.23 N ATOM 1208 CA GLY A 78 -0.604 -19.079 -17.312 1.00 22.13 C ATOM 1209 C GLY A 78 -0.376 -18.098 -16.178 1.00 75.54 C ATOM 1210 O GLY A 78 -0.296 -18.493 -15.015 1.00 2.23 O ATOM 0 HA2 GLY A 78 -1.644 -19.022 -17.634 1.00 22.13 H new ATOM 0 HA3 GLY A 78 -0.438 -20.094 -16.950 1.00 22.13 H new ATOM 1214 N ILE A 79 -0.271 -16.818 -16.518 1.00 73.20 N ATOM 1215 CA ILE A 79 -0.051 -15.779 -15.520 1.00 32.22 C ATOM 1216 C ILE A 79 -1.151 -15.790 -14.464 1.00 11.44 C ATOM 1217 O ILE A 79 -0.900 -15.520 -13.290 1.00 23.44 O ATOM 1218 CB ILE A 79 0.012 -14.382 -16.165 1.00 73.45 C ATOM 1219 CG1 ILE A 79 1.094 -14.344 -17.246 1.00 24.31 C ATOM 1220 CG2 ILE A 79 0.274 -13.321 -15.107 1.00 61.14 C ATOM 1221 CD1 ILE A 79 1.106 -13.060 -18.044 1.00 43.35 C ATOM 0 H ILE A 79 -0.335 -16.476 -17.477 1.00 73.20 H new ATOM 0 HA ILE A 79 0.907 -15.994 -15.046 1.00 32.22 H new ATOM 0 HB ILE A 79 -0.950 -14.170 -16.633 1.00 73.45 H new ATOM 0 HG12 ILE A 79 2.069 -14.480 -16.778 1.00 24.31 H new ATOM 0 HG13 ILE A 79 0.947 -15.183 -17.926 1.00 24.31 H new ATOM 0 HG21 ILE A 79 0.316 -12.339 -15.579 1.00 61.14 H new ATOM 0 HG22 ILE A 79 -0.529 -13.336 -14.370 1.00 61.14 H new ATOM 0 HG23 ILE A 79 1.223 -13.527 -14.613 1.00 61.14 H new ATOM 0 HD11 ILE A 79 1.898 -13.104 -18.792 1.00 43.35 H new ATOM 0 HD12 ILE A 79 0.145 -12.932 -18.541 1.00 43.35 H new ATOM 0 HD13 ILE A 79 1.284 -12.218 -17.375 1.00 43.35 H new ATOM 1233 N GLU A 80 -2.370 -16.104 -14.890 1.00 34.11 N ATOM 1234 CA GLU A 80 -3.509 -16.151 -13.980 1.00 3.33 C ATOM 1235 C GLU A 80 -3.214 -17.053 -12.785 1.00 65.21 C ATOM 1236 O GLU A 80 -3.658 -16.787 -11.669 1.00 2.10 O ATOM 1237 CB GLU A 80 -4.756 -16.648 -14.713 1.00 32.22 C ATOM 1238 CG GLU A 80 -5.506 -15.552 -15.451 1.00 62.23 C ATOM 1239 CD GLU A 80 -6.969 -15.887 -15.663 1.00 75.21 C ATOM 1240 OE1 GLU A 80 -7.392 -15.987 -16.834 1.00 35.34 O ATOM 1241 OE2 GLU A 80 -7.692 -16.050 -14.657 1.00 42.42 O ATOM 0 H GLU A 80 -2.595 -16.330 -15.859 1.00 34.11 H new ATOM 0 HA GLU A 80 -3.691 -15.140 -13.614 1.00 3.33 H new ATOM 0 HB2 GLU A 80 -4.465 -17.420 -15.425 1.00 32.22 H new ATOM 0 HB3 GLU A 80 -5.428 -17.115 -13.993 1.00 32.22 H new ATOM 0 HG2 GLU A 80 -5.428 -14.622 -14.889 1.00 62.23 H new ATOM 0 HG3 GLU A 80 -5.033 -15.381 -16.418 1.00 62.23 H new ATOM 1248 N GLU A 81 -2.461 -18.122 -13.030 1.00 14.33 N ATOM 1249 CA GLU A 81 -2.108 -19.064 -11.975 1.00 33.25 C ATOM 1250 C GLU A 81 -1.056 -18.469 -11.044 1.00 23.35 C ATOM 1251 O GLU A 81 -1.215 -18.475 -9.822 1.00 61.13 O ATOM 1252 CB GLU A 81 -1.590 -20.371 -12.579 1.00 50.45 C ATOM 1253 CG GLU A 81 -1.908 -21.598 -11.742 1.00 12.43 C ATOM 1254 CD GLU A 81 -3.393 -21.903 -11.695 1.00 2.14 C ATOM 1255 OE1 GLU A 81 -3.948 -21.974 -10.578 1.00 51.51 O ATOM 1256 OE2 GLU A 81 -3.999 -22.071 -12.773 1.00 60.41 O ATOM 0 H GLU A 81 -2.085 -18.356 -13.949 1.00 14.33 H new ATOM 0 HA GLU A 81 -3.006 -19.272 -11.394 1.00 33.25 H new ATOM 0 HB2 GLU A 81 -2.021 -20.498 -13.572 1.00 50.45 H new ATOM 0 HB3 GLU A 81 -0.510 -20.299 -12.707 1.00 50.45 H new ATOM 0 HG2 GLU A 81 -1.377 -22.458 -12.149 1.00 12.43 H new ATOM 0 HG3 GLU A 81 -1.540 -21.447 -10.727 1.00 12.43 H new ATOM 1263 N THR A 82 0.022 -17.956 -11.629 1.00 71.02 N ATOM 1264 CA THR A 82 1.102 -17.359 -10.854 1.00 11.11 C ATOM 1265 C THR A 82 0.610 -16.151 -10.065 1.00 53.23 C ATOM 1266 O THR A 82 0.695 -16.121 -8.837 1.00 45.34 O ATOM 1267 CB THR A 82 2.270 -16.925 -11.759 1.00 62.43 C ATOM 1268 OG1 THR A 82 2.258 -17.686 -12.972 1.00 42.15 O ATOM 1269 CG2 THR A 82 3.603 -17.113 -11.050 1.00 71.22 C ATOM 0 H THR A 82 0.170 -17.942 -12.638 1.00 71.02 H new ATOM 0 HA THR A 82 1.453 -18.124 -10.161 1.00 11.11 H new ATOM 0 HB THR A 82 2.147 -15.867 -11.992 1.00 62.43 H new ATOM 0 HG1 THR A 82 3.021 -18.301 -12.980 1.00 42.15 H new ATOM 0 HG21 THR A 82 4.413 -16.800 -11.709 1.00 71.22 H new ATOM 0 HG22 THR A 82 3.620 -16.510 -10.142 1.00 71.22 H new ATOM 0 HG23 THR A 82 3.732 -18.164 -10.791 1.00 71.22 H new ATOM 1277 N LYS A 83 0.093 -15.155 -10.778 1.00 31.51 N ATOM 1278 CA LYS A 83 -0.416 -13.944 -10.145 1.00 64.40 C ATOM 1279 C LYS A 83 -1.408 -14.285 -9.037 1.00 44.34 C ATOM 1280 O LYS A 83 -1.480 -13.592 -8.023 1.00 3.21 O ATOM 1281 CB LYS A 83 -1.086 -13.044 -11.185 1.00 45.51 C ATOM 1282 CG LYS A 83 -0.145 -12.022 -11.800 1.00 53.44 C ATOM 1283 CD LYS A 83 0.256 -10.956 -10.794 1.00 52.12 C ATOM 1284 CE LYS A 83 -0.891 -9.997 -10.511 1.00 24.21 C ATOM 1285 NZ LYS A 83 -0.851 -9.483 -9.114 1.00 34.43 N ATOM 0 H LYS A 83 0.016 -15.163 -11.795 1.00 31.51 H new ATOM 0 HA LYS A 83 0.427 -13.413 -9.703 1.00 64.40 H new ATOM 0 HB2 LYS A 83 -1.502 -13.666 -11.978 1.00 45.51 H new ATOM 0 HB3 LYS A 83 -1.921 -12.522 -10.718 1.00 45.51 H new ATOM 0 HG2 LYS A 83 0.747 -12.526 -12.173 1.00 53.44 H new ATOM 0 HG3 LYS A 83 -0.627 -11.552 -12.657 1.00 53.44 H new ATOM 0 HD2 LYS A 83 0.572 -11.431 -9.865 1.00 52.12 H new ATOM 0 HD3 LYS A 83 1.112 -10.399 -11.174 1.00 52.12 H new ATOM 0 HE2 LYS A 83 -0.845 -9.160 -11.208 1.00 24.21 H new ATOM 0 HE3 LYS A 83 -1.840 -10.504 -10.684 1.00 24.21 H new ATOM 0 HZ1 LYS A 83 -1.648 -8.833 -8.960 1.00 34.43 H new ATOM 0 HZ2 LYS A 83 -0.920 -10.280 -8.449 1.00 34.43 H new ATOM 0 HZ3 LYS A 83 0.044 -8.977 -8.956 1.00 34.43 H new ATOM 1299 N GLN A 84 -2.168 -15.356 -9.239 1.00 54.31 N ATOM 1300 CA GLN A 84 -3.155 -15.787 -8.256 1.00 72.21 C ATOM 1301 C GLN A 84 -2.503 -16.026 -6.898 1.00 42.34 C ATOM 1302 O GLN A 84 -3.102 -15.761 -5.857 1.00 35.22 O ATOM 1303 CB GLN A 84 -3.855 -17.062 -8.730 1.00 65.32 C ATOM 1304 CG GLN A 84 -5.264 -16.826 -9.249 1.00 30.45 C ATOM 1305 CD GLN A 84 -5.833 -18.036 -9.964 1.00 1.12 C ATOM 1306 OE1 GLN A 84 -6.320 -17.933 -11.090 1.00 65.43 O ATOM 1307 NE2 GLN A 84 -5.774 -19.191 -9.312 1.00 34.31 N ATOM 0 H GLN A 84 -2.120 -15.941 -10.073 1.00 54.31 H new ATOM 0 HA GLN A 84 -3.894 -14.993 -8.149 1.00 72.21 H new ATOM 0 HB2 GLN A 84 -3.259 -17.522 -9.518 1.00 65.32 H new ATOM 0 HB3 GLN A 84 -3.895 -17.773 -7.905 1.00 65.32 H new ATOM 0 HG2 GLN A 84 -5.915 -16.562 -8.415 1.00 30.45 H new ATOM 0 HG3 GLN A 84 -5.258 -15.975 -9.931 1.00 30.45 H new ATOM 0 HE21 GLN A 84 -5.361 -19.230 -8.380 1.00 34.31 H new ATOM 0 HE22 GLN A 84 -6.141 -20.039 -9.743 1.00 34.31 H new ATOM 1316 N GLN A 85 -1.272 -16.527 -6.919 1.00 31.23 N ATOM 1317 CA GLN A 85 -0.539 -16.802 -5.688 1.00 74.13 C ATOM 1318 C GLN A 85 0.098 -15.530 -5.138 1.00 72.34 C ATOM 1319 O GLN A 85 -0.075 -15.195 -3.966 1.00 41.03 O ATOM 1320 CB GLN A 85 0.537 -17.860 -5.937 1.00 22.04 C ATOM 1321 CG GLN A 85 0.042 -19.057 -6.731 1.00 72.45 C ATOM 1322 CD GLN A 85 -1.172 -19.713 -6.103 1.00 63.40 C ATOM 1323 OE1 GLN A 85 -1.211 -19.944 -4.894 1.00 62.21 O ATOM 1324 NE2 GLN A 85 -2.171 -20.018 -6.922 1.00 53.25 N ATOM 0 H GLN A 85 -0.762 -16.751 -7.773 1.00 31.23 H new ATOM 0 HA GLN A 85 -1.246 -17.180 -4.950 1.00 74.13 H new ATOM 0 HB2 GLN A 85 1.370 -17.401 -6.470 1.00 22.04 H new ATOM 0 HB3 GLN A 85 0.924 -18.205 -4.978 1.00 22.04 H new ATOM 0 HG2 GLN A 85 -0.205 -18.739 -7.744 1.00 72.45 H new ATOM 0 HG3 GLN A 85 0.844 -19.790 -6.814 1.00 72.45 H new ATOM 0 HE21 GLN A 85 -2.096 -19.809 -7.917 1.00 53.25 H new ATOM 0 HE22 GLN A 85 -3.013 -20.462 -6.556 1.00 53.25 H new ATOM 1333 N ILE A 86 0.835 -14.827 -5.992 1.00 33.13 N ATOM 1334 CA ILE A 86 1.497 -13.592 -5.591 1.00 32.03 C ATOM 1335 C ILE A 86 0.496 -12.590 -5.026 1.00 53.34 C ATOM 1336 O ILE A 86 0.795 -11.864 -4.077 1.00 72.10 O ATOM 1337 CB ILE A 86 2.244 -12.945 -6.772 1.00 10.23 C ATOM 1338 CG1 ILE A 86 3.346 -13.877 -7.279 1.00 71.30 C ATOM 1339 CG2 ILE A 86 2.828 -11.602 -6.357 1.00 73.44 C ATOM 1340 CD1 ILE A 86 3.086 -14.422 -8.666 1.00 55.31 C ATOM 0 H ILE A 86 0.988 -15.092 -6.965 1.00 33.13 H new ATOM 0 HA ILE A 86 2.218 -13.857 -4.817 1.00 32.03 H new ATOM 0 HB ILE A 86 1.535 -12.777 -7.583 1.00 10.23 H new ATOM 0 HG12 ILE A 86 4.294 -13.338 -7.281 1.00 71.30 H new ATOM 0 HG13 ILE A 86 3.454 -14.710 -6.584 1.00 71.30 H new ATOM 0 HG21 ILE A 86 3.353 -11.157 -7.202 1.00 73.44 H new ATOM 0 HG22 ILE A 86 2.024 -10.938 -6.039 1.00 73.44 H new ATOM 0 HG23 ILE A 86 3.526 -11.748 -5.532 1.00 73.44 H new ATOM 0 HD11 ILE A 86 3.908 -15.075 -8.960 1.00 55.31 H new ATOM 0 HD12 ILE A 86 2.155 -14.989 -8.666 1.00 55.31 H new ATOM 0 HD13 ILE A 86 3.008 -13.596 -9.373 1.00 55.31 H new ATOM 1352 N LEU A 87 -0.695 -12.556 -5.615 1.00 44.31 N ATOM 1353 CA LEU A 87 -1.742 -11.643 -5.170 1.00 75.41 C ATOM 1354 C LEU A 87 -2.283 -12.059 -3.806 1.00 75.40 C ATOM 1355 O LEU A 87 -2.676 -11.217 -2.998 1.00 32.11 O ATOM 1356 CB LEU A 87 -2.880 -11.604 -6.192 1.00 61.33 C ATOM 1357 CG LEU A 87 -4.101 -10.770 -5.806 1.00 14.24 C ATOM 1358 CD1 LEU A 87 -3.903 -9.316 -6.205 1.00 42.00 C ATOM 1359 CD2 LEU A 87 -5.359 -11.335 -6.450 1.00 0.12 C ATOM 0 H LEU A 87 -0.959 -13.150 -6.401 1.00 44.31 H new ATOM 0 HA LEU A 87 -1.308 -10.647 -5.080 1.00 75.41 H new ATOM 0 HB2 LEU A 87 -2.484 -11.219 -7.132 1.00 61.33 H new ATOM 0 HB3 LEU A 87 -3.208 -12.626 -6.380 1.00 61.33 H new ATOM 0 HG LEU A 87 -4.219 -10.815 -4.723 1.00 14.24 H new ATOM 0 HD11 LEU A 87 -4.783 -8.738 -5.922 1.00 42.00 H new ATOM 0 HD12 LEU A 87 -3.026 -8.915 -5.696 1.00 42.00 H new ATOM 0 HD13 LEU A 87 -3.758 -9.251 -7.283 1.00 42.00 H new ATOM 0 HD21 LEU A 87 -6.218 -10.728 -6.164 1.00 0.12 H new ATOM 0 HD22 LEU A 87 -5.250 -11.321 -7.534 1.00 0.12 H new ATOM 0 HD23 LEU A 87 -5.511 -12.361 -6.114 1.00 0.12 H new ATOM 1371 N THR A 88 -2.300 -13.365 -3.554 1.00 45.23 N ATOM 1372 CA THR A 88 -2.791 -13.893 -2.288 1.00 41.00 C ATOM 1373 C THR A 88 -1.953 -13.388 -1.119 1.00 43.13 C ATOM 1374 O THR A 88 -2.434 -13.303 0.010 1.00 51.21 O ATOM 1375 CB THR A 88 -2.785 -15.433 -2.282 1.00 23.34 C ATOM 1376 OG1 THR A 88 -3.634 -15.931 -3.321 1.00 72.03 O ATOM 1377 CG2 THR A 88 -3.252 -15.971 -0.937 1.00 42.33 C ATOM 0 H THR A 88 -1.979 -14.076 -4.211 1.00 45.23 H new ATOM 0 HA THR A 88 -3.816 -13.540 -2.175 1.00 41.00 H new ATOM 0 HB THR A 88 -1.763 -15.770 -2.456 1.00 23.34 H new ATOM 0 HG1 THR A 88 -3.282 -15.653 -4.192 1.00 72.03 H new ATOM 0 HG21 THR A 88 -3.239 -17.061 -0.957 1.00 42.33 H new ATOM 0 HG22 THR A 88 -2.586 -15.615 -0.151 1.00 42.33 H new ATOM 0 HG23 THR A 88 -4.266 -15.623 -0.738 1.00 42.33 H new ATOM 1385 N GLU A 89 -0.697 -13.053 -1.399 1.00 23.54 N ATOM 1386 CA GLU A 89 0.208 -12.557 -0.369 1.00 11.45 C ATOM 1387 C GLU A 89 0.361 -11.041 -0.464 1.00 22.31 C ATOM 1388 O GLU A 89 0.493 -10.354 0.550 1.00 72.11 O ATOM 1389 CB GLU A 89 1.577 -13.228 -0.494 1.00 43.41 C ATOM 1390 CG GLU A 89 2.143 -13.198 -1.904 1.00 52.41 C ATOM 1391 CD GLU A 89 3.546 -13.767 -1.982 1.00 41.11 C ATOM 1392 OE1 GLU A 89 4.166 -13.966 -0.917 1.00 4.41 O ATOM 1393 OE2 GLU A 89 4.024 -14.014 -3.109 1.00 55.15 O ATOM 0 H GLU A 89 -0.284 -13.116 -2.329 1.00 23.54 H new ATOM 0 HA GLU A 89 -0.220 -12.802 0.603 1.00 11.45 H new ATOM 0 HB2 GLU A 89 2.277 -12.734 0.180 1.00 43.41 H new ATOM 0 HB3 GLU A 89 1.496 -14.264 -0.166 1.00 43.41 H new ATOM 0 HG2 GLU A 89 1.488 -13.764 -2.566 1.00 52.41 H new ATOM 0 HG3 GLU A 89 2.151 -12.170 -2.266 1.00 52.41 H new ATOM 1400 N LEU A 90 0.344 -10.527 -1.689 1.00 12.15 N ATOM 1401 CA LEU A 90 0.481 -9.093 -1.918 1.00 43.21 C ATOM 1402 C LEU A 90 -0.496 -8.306 -1.050 1.00 25.32 C ATOM 1403 O LEU A 90 -0.094 -7.634 -0.101 1.00 4.03 O ATOM 1404 CB LEU A 90 0.245 -8.768 -3.394 1.00 43.31 C ATOM 1405 CG LEU A 90 1.472 -8.848 -4.303 1.00 50.44 C ATOM 1406 CD1 LEU A 90 1.087 -8.557 -5.746 1.00 20.42 C ATOM 1407 CD2 LEU A 90 2.549 -7.881 -3.832 1.00 60.42 C ATOM 0 H LEU A 90 0.237 -11.082 -2.538 1.00 12.15 H new ATOM 0 HA LEU A 90 1.495 -8.802 -1.645 1.00 43.21 H new ATOM 0 HB2 LEU A 90 -0.513 -9.450 -3.779 1.00 43.31 H new ATOM 0 HB3 LEU A 90 -0.168 -7.762 -3.462 1.00 43.31 H new ATOM 0 HG LEU A 90 1.873 -9.860 -4.252 1.00 50.44 H new ATOM 0 HD11 LEU A 90 1.973 -8.618 -6.378 1.00 20.42 H new ATOM 0 HD12 LEU A 90 0.351 -9.288 -6.081 1.00 20.42 H new ATOM 0 HD13 LEU A 90 0.661 -7.556 -5.814 1.00 20.42 H new ATOM 0 HD21 LEU A 90 3.415 -7.952 -4.491 1.00 60.42 H new ATOM 0 HD22 LEU A 90 2.159 -6.863 -3.853 1.00 60.42 H new ATOM 0 HD23 LEU A 90 2.846 -8.135 -2.814 1.00 60.42 H new ATOM 1419 N GLN A 91 -1.779 -8.398 -1.381 1.00 15.30 N ATOM 1420 CA GLN A 91 -2.813 -7.695 -0.630 1.00 34.50 C ATOM 1421 C GLN A 91 -3.168 -8.452 0.646 1.00 73.12 C ATOM 1422 O GLN A 91 -3.433 -7.848 1.686 1.00 62.14 O ATOM 1423 CB GLN A 91 -4.063 -7.511 -1.492 1.00 74.22 C ATOM 1424 CG GLN A 91 -4.533 -8.791 -2.164 1.00 72.31 C ATOM 1425 CD GLN A 91 -5.925 -9.203 -1.727 1.00 53.34 C ATOM 1426 OE1 GLN A 91 -6.759 -8.359 -1.394 1.00 64.54 O ATOM 1427 NE2 GLN A 91 -6.185 -10.505 -1.727 1.00 11.15 N ATOM 0 H GLN A 91 -2.128 -8.952 -2.163 1.00 15.30 H new ATOM 0 HA GLN A 91 -2.424 -6.715 -0.354 1.00 34.50 H new ATOM 0 HB2 GLN A 91 -4.868 -7.120 -0.870 1.00 74.22 H new ATOM 0 HB3 GLN A 91 -3.859 -6.762 -2.258 1.00 74.22 H new ATOM 0 HG2 GLN A 91 -4.521 -8.654 -3.245 1.00 72.31 H new ATOM 0 HG3 GLN A 91 -3.832 -9.594 -1.937 1.00 72.31 H new ATOM 0 HE21 GLN A 91 -5.464 -11.169 -2.010 1.00 11.15 H new ATOM 0 HE22 GLN A 91 -7.105 -10.841 -1.444 1.00 11.15 H new ATOM 1436 N LYS A 92 -3.173 -9.778 0.560 1.00 44.04 N ATOM 1437 CA LYS A 92 -3.494 -10.619 1.707 1.00 40.24 C ATOM 1438 C LYS A 92 -2.296 -11.473 2.107 1.00 21.55 C ATOM 1439 O LYS A 92 -2.082 -11.744 3.289 1.00 5.35 O ATOM 1440 CB LYS A 92 -4.691 -11.517 1.387 1.00 62.30 C ATOM 1441 CG LYS A 92 -5.550 -11.839 2.597 1.00 31.33 C ATOM 1442 CD LYS A 92 -5.240 -13.220 3.150 1.00 23.22 C ATOM 1443 CE LYS A 92 -5.757 -14.317 2.233 1.00 75.24 C ATOM 1444 NZ LYS A 92 -6.242 -15.498 2.999 1.00 32.50 N ATOM 0 H LYS A 92 -2.958 -10.294 -0.293 1.00 44.04 H new ATOM 0 HA LYS A 92 -3.749 -9.969 2.544 1.00 40.24 H new ATOM 0 HB2 LYS A 92 -5.309 -11.030 0.633 1.00 62.30 H new ATOM 0 HB3 LYS A 92 -4.330 -12.448 0.950 1.00 62.30 H new ATOM 0 HG2 LYS A 92 -5.384 -11.090 3.372 1.00 31.33 H new ATOM 0 HG3 LYS A 92 -6.603 -11.785 2.321 1.00 31.33 H new ATOM 0 HD2 LYS A 92 -4.163 -13.329 3.277 1.00 23.22 H new ATOM 0 HD3 LYS A 92 -5.690 -13.327 4.137 1.00 23.22 H new ATOM 0 HE2 LYS A 92 -6.568 -13.925 1.619 1.00 75.24 H new ATOM 0 HE3 LYS A 92 -4.963 -14.626 1.553 1.00 75.24 H new ATOM 0 HZ1 LYS A 92 -6.586 -16.223 2.338 1.00 32.50 H new ATOM 0 HZ2 LYS A 92 -5.462 -15.888 3.566 1.00 32.50 H new ATOM 0 HZ3 LYS A 92 -7.017 -15.209 3.629 1.00 32.50 H new