USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 587 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 31 THR OG1 : rot 33:sc= -2.45! USER MOD Set 1.2: A 37 GLN : amide:sc= 0.675 K(o=-1.8,f=-3.1) USER MOD Set 2.1: A 24 LYS NZ :NH3+ -126:sc= 0.0654 (180deg=-0.53) USER MOD Set 2.2: A 46 ASN : amide:sc= 0.0468 K(o=0.11,f=-2.5) USER MOD Single : A 1 LYS N :NH3+ -141:sc= -0.688 (180deg=-2.76!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot -27:sc= 0.338 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -174:sc= 1.23 USER MOD Single : A 16 SER OG : rot -21:sc= 0.527 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.318 K(o=-0.32,f=-7.5!) USER MOD Single : A 25 HIS : no HE2:sc= -2.4! C(o=-2.4!,f=-3.6!) USER MOD Single : A 27 LYS NZ :NH3+ -160:sc= 1.27 (180deg=1.12) USER MOD Single : A 30 ASN : amide:sc= -0.094 X(o=-0.094,f=0.39) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 148:sc= 2.37 (180deg=1.36) USER MOD Single : A 44 ASN : amide:sc= -0.443 X(o=-0.44,f=0) USER MOD Single : A 45 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.31) USER MOD Single : A 48 GLN : amide:sc=-0.00119 K(o=-0.0012,f=-0.96) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -151:sc= 1.14 (180deg=0.595) USER MOD Single : A 59 GLN : amide:sc=-0.00196 X(o=-0.002,f=-0.41) USER MOD Single : A 61 TYR OH : rot 30:sc= -0.311 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -17.361 -9.232 -6.339 1.00 50.44 N ATOM 2 CA LYS A 1 -17.301 -8.447 -5.113 1.00 74.42 C ATOM 3 C LYS A 1 -15.901 -7.876 -4.943 1.00 23.10 C ATOM 4 O LYS A 1 -14.934 -8.621 -4.813 1.00 34.02 O ATOM 5 CB LYS A 1 -17.668 -9.282 -3.843 1.00 51.24 C ATOM 6 CG LYS A 1 -19.125 -9.789 -3.711 1.00 71.44 C ATOM 7 CD LYS A 1 -19.502 -10.865 -4.726 1.00 71.34 C ATOM 8 CE LYS A 1 -20.930 -11.340 -4.505 1.00 73.52 C ATOM 9 NZ LYS A 1 -21.341 -12.357 -5.491 1.00 43.43 N ATOM 0 H1 LYS A 1 -18.275 -9.073 -6.809 1.00 50.44 H new ATOM 0 H2 LYS A 1 -16.590 -8.943 -6.975 1.00 50.44 H new ATOM 0 H3 LYS A 1 -17.260 -10.241 -6.110 1.00 50.44 H new ATOM 0 HA LYS A 1 -18.038 -7.649 -5.207 1.00 74.42 H new ATOM 0 HB2 LYS A 1 -17.007 -10.148 -3.809 1.00 51.24 H new ATOM 0 HB3 LYS A 1 -17.443 -8.675 -2.966 1.00 51.24 H new ATOM 0 HG2 LYS A 1 -19.272 -10.185 -2.706 1.00 71.44 H new ATOM 0 HG3 LYS A 1 -19.804 -8.944 -3.823 1.00 71.44 H new ATOM 0 HD2 LYS A 1 -19.398 -10.470 -5.737 1.00 71.34 H new ATOM 0 HD3 LYS A 1 -18.816 -11.708 -4.641 1.00 71.34 H new ATOM 0 HE2 LYS A 1 -21.022 -11.753 -3.501 1.00 73.52 H new ATOM 0 HE3 LYS A 1 -21.607 -10.488 -4.562 1.00 73.52 H new ATOM 0 HZ1 LYS A 1 -22.320 -12.650 -5.300 1.00 43.43 H new ATOM 0 HZ2 LYS A 1 -21.280 -11.957 -6.449 1.00 43.43 H new ATOM 0 HZ3 LYS A 1 -20.713 -13.183 -5.420 1.00 43.43 H new ATOM 23 N PRO A 2 -15.773 -6.536 -4.908 1.00 4.41 N ATOM 24 CA PRO A 2 -14.478 -5.852 -4.769 1.00 44.52 C ATOM 25 C PRO A 2 -14.063 -5.727 -3.299 1.00 0.33 C ATOM 26 O PRO A 2 -13.238 -4.883 -2.924 1.00 43.03 O ATOM 27 CB PRO A 2 -14.777 -4.478 -5.350 1.00 15.31 C ATOM 28 CG PRO A 2 -16.194 -4.225 -4.966 1.00 71.44 C ATOM 29 CD PRO A 2 -16.887 -5.563 -5.002 1.00 21.11 C ATOM 0 HA PRO A 2 -13.660 -6.380 -5.259 1.00 44.52 H new ATOM 0 HB2 PRO A 2 -14.111 -3.718 -4.941 1.00 15.31 H new ATOM 0 HB3 PRO A 2 -14.648 -4.466 -6.432 1.00 15.31 H new ATOM 0 HG2 PRO A 2 -16.254 -3.782 -3.972 1.00 71.44 H new ATOM 0 HG3 PRO A 2 -16.665 -3.525 -5.656 1.00 71.44 H new ATOM 0 HD2 PRO A 2 -17.587 -5.674 -4.174 1.00 21.11 H new ATOM 0 HD3 PRO A 2 -17.457 -5.694 -5.922 1.00 21.11 H new ATOM 37 N VAL A 3 -14.637 -6.570 -2.491 1.00 40.15 N ATOM 38 CA VAL A 3 -14.369 -6.604 -1.090 1.00 22.44 C ATOM 39 C VAL A 3 -13.278 -7.623 -0.836 1.00 44.53 C ATOM 40 O VAL A 3 -13.359 -8.761 -1.315 1.00 0.01 O ATOM 41 CB VAL A 3 -15.642 -7.002 -0.292 1.00 33.02 C ATOM 42 CG1 VAL A 3 -15.365 -7.044 1.202 1.00 1.04 C ATOM 43 CG2 VAL A 3 -16.792 -6.049 -0.594 1.00 72.14 C ATOM 0 H VAL A 3 -15.317 -7.265 -2.797 1.00 40.15 H new ATOM 0 HA VAL A 3 -14.056 -5.613 -0.761 1.00 22.44 H new ATOM 0 HB VAL A 3 -15.931 -8.004 -0.610 1.00 33.02 H new ATOM 0 HG11 VAL A 3 -16.274 -7.325 1.733 1.00 1.04 H new ATOM 0 HG12 VAL A 3 -14.584 -7.776 1.407 1.00 1.04 H new ATOM 0 HG13 VAL A 3 -15.038 -6.061 1.539 1.00 1.04 H new ATOM 0 HG21 VAL A 3 -17.672 -6.348 -0.024 1.00 72.14 H new ATOM 0 HG22 VAL A 3 -16.507 -5.035 -0.315 1.00 72.14 H new ATOM 0 HG23 VAL A 3 -17.022 -6.082 -1.659 1.00 72.14 H new ATOM 53 N SER A 4 -12.271 -7.226 -0.137 1.00 40.11 N ATOM 54 CA SER A 4 -11.210 -8.104 0.186 1.00 12.33 C ATOM 55 C SER A 4 -11.527 -8.738 1.541 1.00 43.45 C ATOM 56 O SER A 4 -11.302 -8.129 2.592 1.00 4.12 O ATOM 57 CB SER A 4 -9.874 -7.322 0.208 1.00 51.02 C ATOM 58 OG SER A 4 -8.749 -8.168 0.373 1.00 35.00 O ATOM 0 H SER A 4 -12.164 -6.279 0.226 1.00 40.11 H new ATOM 0 HA SER A 4 -11.105 -8.893 -0.559 1.00 12.33 H new ATOM 0 HB2 SER A 4 -9.770 -6.762 -0.722 1.00 51.02 H new ATOM 0 HB3 SER A 4 -9.897 -6.593 1.018 1.00 51.02 H new ATOM 0 HG SER A 4 -9.018 -8.980 0.851 1.00 35.00 H new ATOM 64 N LEU A 5 -12.114 -9.931 1.506 1.00 63.32 N ATOM 65 CA LEU A 5 -12.493 -10.624 2.720 1.00 10.23 C ATOM 66 C LEU A 5 -11.201 -11.050 3.399 1.00 33.43 C ATOM 67 O LEU A 5 -10.936 -10.682 4.549 1.00 5.03 O ATOM 68 CB LEU A 5 -13.438 -11.814 2.379 1.00 14.10 C ATOM 69 CG LEU A 5 -14.193 -12.515 3.539 1.00 24.25 C ATOM 70 CD1 LEU A 5 -15.196 -13.501 2.976 1.00 41.53 C ATOM 71 CD2 LEU A 5 -13.247 -13.245 4.480 1.00 54.02 C ATOM 0 H LEU A 5 -12.335 -10.433 0.646 1.00 63.32 H new ATOM 0 HA LEU A 5 -13.058 -9.990 3.404 1.00 10.23 H new ATOM 0 HB2 LEU A 5 -14.182 -11.453 1.669 1.00 14.10 H new ATOM 0 HB3 LEU A 5 -12.846 -12.570 1.864 1.00 14.10 H new ATOM 0 HG LEU A 5 -14.703 -11.740 4.111 1.00 24.25 H new ATOM 0 HD11 LEU A 5 -15.724 -13.991 3.794 1.00 41.53 H new ATOM 0 HD12 LEU A 5 -15.912 -12.972 2.347 1.00 41.53 H new ATOM 0 HD13 LEU A 5 -14.675 -14.250 2.381 1.00 41.53 H new ATOM 0 HD21 LEU A 5 -13.820 -13.720 5.276 1.00 54.02 H new ATOM 0 HD22 LEU A 5 -12.697 -14.005 3.925 1.00 54.02 H new ATOM 0 HD23 LEU A 5 -12.545 -12.533 4.914 1.00 54.02 H new ATOM 83 N SER A 6 -10.391 -11.799 2.685 1.00 4.44 N ATOM 84 CA SER A 6 -9.062 -12.079 3.127 1.00 35.35 C ATOM 85 C SER A 6 -8.242 -10.883 2.695 1.00 3.04 C ATOM 86 O SER A 6 -7.861 -10.772 1.523 1.00 35.25 O ATOM 87 CB SER A 6 -8.546 -13.368 2.495 1.00 52.14 C ATOM 88 OG SER A 6 -9.406 -14.453 2.818 1.00 5.44 O ATOM 0 H SER A 6 -10.640 -12.223 1.792 1.00 4.44 H new ATOM 0 HA SER A 6 -9.008 -12.230 4.205 1.00 35.35 H new ATOM 0 HB2 SER A 6 -8.486 -13.252 1.413 1.00 52.14 H new ATOM 0 HB3 SER A 6 -7.537 -13.577 2.850 1.00 52.14 H new ATOM 0 HG SER A 6 -9.066 -15.274 2.406 1.00 5.44 H new ATOM 94 N TYR A 7 -8.046 -9.964 3.630 1.00 23.40 N ATOM 95 CA TYR A 7 -7.504 -8.653 3.344 1.00 21.51 C ATOM 96 C TYR A 7 -6.140 -8.736 2.657 1.00 12.02 C ATOM 97 O TYR A 7 -5.139 -9.178 3.247 1.00 23.11 O ATOM 98 CB TYR A 7 -7.481 -7.812 4.613 1.00 11.11 C ATOM 99 CG TYR A 7 -7.477 -6.329 4.368 1.00 34.41 C ATOM 100 CD1 TYR A 7 -8.579 -5.725 3.773 1.00 22.53 C ATOM 101 CD2 TYR A 7 -6.407 -5.531 4.726 1.00 43.41 C ATOM 102 CE1 TYR A 7 -8.618 -4.376 3.546 1.00 24.34 C ATOM 103 CE2 TYR A 7 -6.442 -4.165 4.506 1.00 33.32 C ATOM 104 CZ TYR A 7 -7.553 -3.597 3.912 1.00 41.01 C ATOM 105 OH TYR A 7 -7.597 -2.236 3.691 1.00 23.03 O ATOM 0 H TYR A 7 -8.262 -10.114 4.616 1.00 23.40 H new ATOM 0 HA TYR A 7 -8.158 -8.152 2.630 1.00 21.51 H new ATOM 0 HB2 TYR A 7 -8.350 -8.066 5.220 1.00 11.11 H new ATOM 0 HB3 TYR A 7 -6.597 -8.076 5.194 1.00 11.11 H new ATOM 0 HD1 TYR A 7 -9.423 -6.334 3.484 1.00 22.53 H new ATOM 0 HD2 TYR A 7 -5.535 -5.977 5.182 1.00 43.41 H new ATOM 0 HE1 TYR A 7 -9.484 -3.928 3.081 1.00 24.34 H new ATOM 0 HE2 TYR A 7 -5.606 -3.546 4.797 1.00 33.32 H new ATOM 0 HH TYR A 7 -6.728 -1.840 3.912 1.00 23.03 H new ATOM 115 N ARG A 8 -6.151 -8.340 1.392 1.00 33.34 N ATOM 116 CA ARG A 8 -5.022 -8.417 0.478 1.00 42.40 C ATOM 117 C ARG A 8 -3.806 -7.624 0.976 1.00 25.21 C ATOM 118 O ARG A 8 -2.797 -8.205 1.393 1.00 1.10 O ATOM 119 CB ARG A 8 -5.472 -7.885 -0.905 1.00 22.11 C ATOM 120 CG ARG A 8 -4.483 -8.067 -2.068 1.00 30.22 C ATOM 121 CD ARG A 8 -4.323 -9.533 -2.477 1.00 41.14 C ATOM 122 NE ARG A 8 -3.680 -10.362 -1.448 1.00 30.22 N ATOM 123 CZ ARG A 8 -4.180 -11.509 -0.954 1.00 54.21 C ATOM 124 NH1 ARG A 8 -5.377 -11.946 -1.340 1.00 62.52 N ATOM 125 NH2 ARG A 8 -3.477 -12.207 -0.079 1.00 34.55 N ATOM 0 H ARG A 8 -6.982 -7.940 0.957 1.00 33.34 H new ATOM 0 HA ARG A 8 -4.709 -9.459 0.410 1.00 42.40 H new ATOM 0 HB2 ARG A 8 -6.406 -8.378 -1.172 1.00 22.11 H new ATOM 0 HB3 ARG A 8 -5.690 -6.822 -0.806 1.00 22.11 H new ATOM 0 HG2 ARG A 8 -4.826 -7.489 -2.926 1.00 30.22 H new ATOM 0 HG3 ARG A 8 -3.511 -7.665 -1.781 1.00 30.22 H new ATOM 0 HD2 ARG A 8 -5.305 -9.948 -2.705 1.00 41.14 H new ATOM 0 HD3 ARG A 8 -3.735 -9.584 -3.393 1.00 41.14 H new ATOM 0 HE ARG A 8 -2.784 -10.043 -1.079 1.00 30.22 H new ATOM 0 HH11 ARG A 8 -5.922 -11.410 -2.015 1.00 62.52 H new ATOM 0 HH12 ARG A 8 -5.749 -12.817 -0.961 1.00 62.52 H new ATOM 0 HH21 ARG A 8 -2.560 -11.875 0.219 1.00 34.55 H new ATOM 0 HH22 ARG A 8 -3.852 -13.077 0.298 1.00 34.55 H new ATOM 139 N CYS A 9 -3.917 -6.324 0.951 1.00 31.43 N ATOM 140 CA CYS A 9 -2.822 -5.451 1.307 1.00 54.32 C ATOM 141 C CYS A 9 -3.401 -4.294 2.108 1.00 53.24 C ATOM 142 O CYS A 9 -4.614 -4.083 2.034 1.00 71.13 O ATOM 143 CB CYS A 9 -2.156 -4.929 0.015 1.00 53.50 C ATOM 144 SG CYS A 9 -1.617 -6.241 -1.145 1.00 12.41 S ATOM 0 H CYS A 9 -4.771 -5.834 0.683 1.00 31.43 H new ATOM 0 HA CYS A 9 -2.071 -5.976 1.898 1.00 54.32 H new ATOM 0 HB2 CYS A 9 -2.857 -4.272 -0.500 1.00 53.50 H new ATOM 0 HB3 CYS A 9 -1.291 -4.323 0.286 1.00 53.50 H new ATOM 149 N PRO A 10 -2.557 -3.545 2.902 1.00 42.31 N ATOM 150 CA PRO A 10 -3.007 -2.398 3.730 1.00 50.11 C ATOM 151 C PRO A 10 -4.021 -1.501 3.011 1.00 43.54 C ATOM 152 O PRO A 10 -5.111 -1.253 3.517 1.00 72.14 O ATOM 153 CB PRO A 10 -1.711 -1.640 3.988 1.00 61.11 C ATOM 154 CG PRO A 10 -0.677 -2.709 4.062 1.00 45.34 C ATOM 155 CD PRO A 10 -1.097 -3.778 3.074 1.00 54.22 C ATOM 0 HA PRO A 10 -3.525 -2.724 4.632 1.00 50.11 H new ATOM 0 HB2 PRO A 10 -1.497 -0.932 3.187 1.00 61.11 H new ATOM 0 HB3 PRO A 10 -1.761 -1.068 4.915 1.00 61.11 H new ATOM 0 HG2 PRO A 10 0.308 -2.315 3.812 1.00 45.34 H new ATOM 0 HG3 PRO A 10 -0.611 -3.117 5.071 1.00 45.34 H new ATOM 0 HD2 PRO A 10 -0.562 -3.682 2.129 1.00 54.22 H new ATOM 0 HD3 PRO A 10 -0.893 -4.778 3.456 1.00 54.22 H new ATOM 163 N CYS A 11 -3.674 -1.041 1.842 1.00 4.23 N ATOM 164 CA CYS A 11 -4.587 -0.247 1.058 1.00 4.20 C ATOM 165 C CYS A 11 -4.919 -0.981 -0.220 1.00 40.21 C ATOM 166 O CYS A 11 -4.067 -1.681 -0.779 1.00 44.12 O ATOM 167 CB CYS A 11 -4.013 1.146 0.766 1.00 75.14 C ATOM 168 SG CYS A 11 -3.711 2.151 2.263 1.00 30.51 S ATOM 0 H CYS A 11 -2.765 -1.201 1.408 1.00 4.23 H new ATOM 0 HA CYS A 11 -5.502 -0.097 1.630 1.00 4.20 H new ATOM 0 HB2 CYS A 11 -3.076 1.035 0.220 1.00 75.14 H new ATOM 0 HB3 CYS A 11 -4.701 1.682 0.113 1.00 75.14 H new ATOM 173 N ARG A 12 -6.151 -0.856 -0.651 1.00 52.23 N ATOM 174 CA ARG A 12 -6.622 -1.496 -1.862 1.00 62.14 C ATOM 175 C ARG A 12 -6.370 -0.555 -3.030 1.00 12.13 C ATOM 176 O ARG A 12 -6.059 -0.978 -4.143 1.00 12.03 O ATOM 177 CB ARG A 12 -8.126 -1.783 -1.733 1.00 12.35 C ATOM 178 CG ARG A 12 -8.763 -2.527 -2.906 1.00 5.13 C ATOM 179 CD ARG A 12 -8.219 -3.942 -3.054 1.00 11.22 C ATOM 180 NE ARG A 12 -8.907 -4.674 -4.125 1.00 52.24 N ATOM 181 CZ ARG A 12 -9.058 -6.004 -4.189 1.00 60.11 C ATOM 182 NH1 ARG A 12 -8.591 -6.785 -3.218 1.00 33.32 N ATOM 183 NH2 ARG A 12 -9.698 -6.543 -5.217 1.00 53.05 N ATOM 0 H ARG A 12 -6.862 -0.304 -0.170 1.00 52.23 H new ATOM 0 HA ARG A 12 -6.097 -2.437 -2.026 1.00 62.14 H new ATOM 0 HB2 ARG A 12 -8.289 -2.365 -0.826 1.00 12.35 H new ATOM 0 HB3 ARG A 12 -8.648 -0.835 -1.602 1.00 12.35 H new ATOM 0 HG2 ARG A 12 -9.843 -2.568 -2.765 1.00 5.13 H new ATOM 0 HG3 ARG A 12 -8.583 -1.972 -3.827 1.00 5.13 H new ATOM 0 HD2 ARG A 12 -7.151 -3.902 -3.267 1.00 11.22 H new ATOM 0 HD3 ARG A 12 -8.336 -4.478 -2.112 1.00 11.22 H new ATOM 0 HE ARG A 12 -9.304 -4.123 -4.886 1.00 52.24 H new ATOM 0 HH11 ARG A 12 -8.114 -6.372 -2.417 1.00 33.32 H new ATOM 0 HH12 ARG A 12 -8.710 -7.796 -3.275 1.00 33.32 H new ATOM 0 HH21 ARG A 12 -10.073 -5.946 -5.954 1.00 53.05 H new ATOM 0 HH22 ARG A 12 -9.816 -7.555 -5.271 1.00 53.05 H new ATOM 197 N PHE A 13 -6.494 0.722 -2.755 1.00 32.43 N ATOM 198 CA PHE A 13 -6.293 1.749 -3.737 1.00 63.41 C ATOM 199 C PHE A 13 -5.406 2.821 -3.152 1.00 40.11 C ATOM 200 O PHE A 13 -5.309 2.960 -1.922 1.00 4.15 O ATOM 201 CB PHE A 13 -7.636 2.378 -4.158 1.00 41.14 C ATOM 202 CG PHE A 13 -8.624 1.417 -4.756 1.00 41.33 C ATOM 203 CD1 PHE A 13 -8.433 0.911 -6.031 1.00 41.03 C ATOM 204 CD2 PHE A 13 -9.751 1.031 -4.049 1.00 41.51 C ATOM 205 CE1 PHE A 13 -9.342 0.037 -6.589 1.00 25.13 C ATOM 206 CE2 PHE A 13 -10.665 0.156 -4.600 1.00 23.03 C ATOM 207 CZ PHE A 13 -10.460 -0.342 -5.872 1.00 24.24 C ATOM 0 H PHE A 13 -6.740 1.076 -1.831 1.00 32.43 H new ATOM 0 HA PHE A 13 -5.827 1.306 -4.617 1.00 63.41 H new ATOM 0 HB2 PHE A 13 -8.090 2.847 -3.285 1.00 41.14 H new ATOM 0 HB3 PHE A 13 -7.439 3.170 -4.880 1.00 41.14 H new ATOM 0 HD1 PHE A 13 -7.561 1.205 -6.596 1.00 41.03 H new ATOM 0 HD2 PHE A 13 -9.916 1.419 -3.055 1.00 41.51 H new ATOM 0 HE1 PHE A 13 -9.180 -0.350 -7.584 1.00 25.13 H new ATOM 0 HE2 PHE A 13 -11.539 -0.139 -4.038 1.00 23.03 H new ATOM 0 HZ PHE A 13 -11.173 -1.027 -6.306 1.00 24.24 H new ATOM 217 N PHE A 14 -4.754 3.552 -4.000 1.00 72.23 N ATOM 218 CA PHE A 14 -3.941 4.648 -3.573 1.00 74.21 C ATOM 219 C PHE A 14 -4.725 5.918 -3.740 1.00 60.54 C ATOM 220 O PHE A 14 -5.545 6.021 -4.663 1.00 12.43 O ATOM 221 CB PHE A 14 -2.647 4.745 -4.377 1.00 24.21 C ATOM 222 CG PHE A 14 -1.770 3.533 -4.300 1.00 34.14 C ATOM 223 CD1 PHE A 14 -1.277 3.087 -3.088 1.00 32.41 C ATOM 224 CD2 PHE A 14 -1.413 2.864 -5.446 1.00 72.22 C ATOM 225 CE1 PHE A 14 -0.447 1.985 -3.025 1.00 23.23 C ATOM 226 CE2 PHE A 14 -0.589 1.768 -5.396 1.00 15.14 C ATOM 227 CZ PHE A 14 -0.100 1.324 -4.184 1.00 4.30 C ATOM 0 H PHE A 14 -4.770 3.406 -5.009 1.00 72.23 H new ATOM 0 HA PHE A 14 -3.670 4.489 -2.529 1.00 74.21 H new ATOM 0 HB2 PHE A 14 -2.897 4.930 -5.422 1.00 24.21 H new ATOM 0 HB3 PHE A 14 -2.082 5.609 -4.027 1.00 24.21 H new ATOM 0 HD1 PHE A 14 -1.544 3.606 -2.180 1.00 32.41 H new ATOM 0 HD2 PHE A 14 -1.786 3.206 -6.400 1.00 72.22 H new ATOM 0 HE1 PHE A 14 -0.071 1.643 -2.072 1.00 23.23 H new ATOM 0 HE2 PHE A 14 -0.323 1.252 -6.307 1.00 15.14 H new ATOM 0 HZ PHE A 14 0.551 0.463 -4.144 1.00 4.30 H new ATOM 237 N GLU A 15 -4.493 6.869 -2.859 1.00 23.34 N ATOM 238 CA GLU A 15 -5.158 8.150 -2.908 1.00 24.13 C ATOM 239 C GLU A 15 -4.776 8.805 -4.253 1.00 25.44 C ATOM 240 O GLU A 15 -5.635 9.255 -5.016 1.00 23.22 O ATOM 241 CB GLU A 15 -4.637 8.965 -1.742 1.00 72.23 C ATOM 242 CG GLU A 15 -5.519 10.097 -1.257 1.00 54.44 C ATOM 243 CD GLU A 15 -5.895 11.092 -2.297 1.00 61.23 C ATOM 244 OE1 GLU A 15 -5.005 11.725 -2.861 1.00 25.32 O ATOM 245 OE2 GLU A 15 -7.099 11.244 -2.565 1.00 21.25 O ATOM 0 H GLU A 15 -3.834 6.772 -2.086 1.00 23.34 H new ATOM 0 HA GLU A 15 -6.243 8.072 -2.838 1.00 24.13 H new ATOM 0 HB2 GLU A 15 -4.460 8.289 -0.906 1.00 72.23 H new ATOM 0 HB3 GLU A 15 -3.670 9.383 -2.024 1.00 72.23 H new ATOM 0 HG2 GLU A 15 -6.430 9.672 -0.836 1.00 54.44 H new ATOM 0 HG3 GLU A 15 -5.006 10.616 -0.448 1.00 54.44 H new ATOM 252 N SER A 16 -3.457 8.835 -4.510 1.00 31.05 N ATOM 253 CA SER A 16 -2.874 9.248 -5.792 1.00 12.12 C ATOM 254 C SER A 16 -2.961 10.764 -6.087 1.00 34.12 C ATOM 255 O SER A 16 -2.422 11.221 -7.089 1.00 21.24 O ATOM 256 CB SER A 16 -3.467 8.396 -6.947 1.00 10.43 C ATOM 257 OG SER A 16 -2.926 8.743 -8.215 1.00 45.11 O ATOM 0 H SER A 16 -2.756 8.568 -3.819 1.00 31.05 H new ATOM 0 HA SER A 16 -1.804 9.056 -5.714 1.00 12.12 H new ATOM 0 HB2 SER A 16 -3.276 7.341 -6.751 1.00 10.43 H new ATOM 0 HB3 SER A 16 -4.549 8.525 -6.970 1.00 10.43 H new ATOM 0 HG SER A 16 -2.550 9.647 -8.174 1.00 45.11 H new ATOM 263 N HIS A 17 -3.605 11.531 -5.238 1.00 43.03 N ATOM 264 CA HIS A 17 -3.720 12.977 -5.457 1.00 44.34 C ATOM 265 C HIS A 17 -3.063 13.703 -4.312 1.00 12.20 C ATOM 266 O HIS A 17 -3.406 14.840 -3.981 1.00 11.34 O ATOM 267 CB HIS A 17 -5.193 13.395 -5.568 1.00 0.20 C ATOM 268 CG HIS A 17 -5.905 12.736 -6.692 1.00 22.35 C ATOM 269 ND1 HIS A 17 -5.701 13.077 -8.001 1.00 62.32 N ATOM 270 CD2 HIS A 17 -6.785 11.714 -6.706 1.00 60.11 C ATOM 271 CE1 HIS A 17 -6.415 12.298 -8.769 1.00 60.33 C ATOM 272 NE2 HIS A 17 -7.086 11.461 -8.014 1.00 12.03 N ATOM 0 H HIS A 17 -4.059 11.192 -4.390 1.00 43.03 H new ATOM 0 HA HIS A 17 -3.223 13.236 -6.392 1.00 44.34 H new ATOM 0 HB2 HIS A 17 -5.703 13.157 -4.634 1.00 0.20 H new ATOM 0 HB3 HIS A 17 -5.249 14.476 -5.695 1.00 0.20 H new ATOM 0 HD2 HIS A 17 -7.178 11.194 -5.845 1.00 60.11 H new ATOM 0 HE1 HIS A 17 -6.448 12.337 -9.848 1.00 60.33 H new ATOM 0 HE2 HIS A 17 -7.726 10.741 -8.348 1.00 12.03 H new ATOM 281 N VAL A 18 -2.068 13.070 -3.755 1.00 3.52 N ATOM 282 CA VAL A 18 -1.397 13.574 -2.588 1.00 42.23 C ATOM 283 C VAL A 18 -0.202 14.388 -3.025 1.00 74.25 C ATOM 284 O VAL A 18 0.560 13.955 -3.881 1.00 64.30 O ATOM 285 CB VAL A 18 -0.892 12.403 -1.703 1.00 12.03 C ATOM 286 CG1 VAL A 18 -0.300 12.910 -0.408 1.00 5.22 C ATOM 287 CG2 VAL A 18 -1.993 11.402 -1.438 1.00 14.30 C ATOM 0 H VAL A 18 -1.697 12.185 -4.100 1.00 3.52 H new ATOM 0 HA VAL A 18 -2.097 14.184 -2.016 1.00 42.23 H new ATOM 0 HB VAL A 18 -0.102 11.893 -2.254 1.00 12.03 H new ATOM 0 HG11 VAL A 18 0.044 12.066 0.190 1.00 5.22 H new ATOM 0 HG12 VAL A 18 0.541 13.568 -0.626 1.00 5.22 H new ATOM 0 HG13 VAL A 18 -1.058 13.462 0.147 1.00 5.22 H new ATOM 0 HG21 VAL A 18 -1.608 10.594 -0.816 1.00 14.30 H new ATOM 0 HG22 VAL A 18 -2.817 11.896 -0.923 1.00 14.30 H new ATOM 0 HG23 VAL A 18 -2.349 10.993 -2.384 1.00 14.30 H new ATOM 297 N ALA A 19 -0.073 15.565 -2.467 1.00 13.20 N ATOM 298 CA ALA A 19 1.031 16.446 -2.761 1.00 30.53 C ATOM 299 C ALA A 19 1.989 16.475 -1.578 1.00 31.40 C ATOM 300 O ALA A 19 1.561 16.303 -0.443 1.00 63.24 O ATOM 301 CB ALA A 19 0.508 17.845 -3.046 1.00 34.24 C ATOM 0 H ALA A 19 -0.736 15.943 -1.790 1.00 13.20 H new ATOM 0 HA ALA A 19 1.563 16.082 -3.640 1.00 30.53 H new ATOM 0 HB1 ALA A 19 1.344 18.508 -3.268 1.00 34.24 H new ATOM 0 HB2 ALA A 19 -0.167 17.814 -3.901 1.00 34.24 H new ATOM 0 HB3 ALA A 19 -0.029 18.217 -2.174 1.00 34.24 H new ATOM 307 N ARG A 20 3.272 16.714 -1.857 1.00 71.44 N ATOM 308 CA ARG A 20 4.348 16.747 -0.848 1.00 74.13 C ATOM 309 C ARG A 20 4.022 17.698 0.309 1.00 65.50 C ATOM 310 O ARG A 20 4.269 17.382 1.478 1.00 32.31 O ATOM 311 CB ARG A 20 5.663 17.175 -1.535 1.00 31.33 C ATOM 312 CG ARG A 20 6.893 17.291 -0.627 1.00 34.43 C ATOM 313 CD ARG A 20 7.239 15.983 0.057 1.00 31.14 C ATOM 314 NE ARG A 20 8.492 16.090 0.825 1.00 74.23 N ATOM 315 CZ ARG A 20 8.907 15.262 1.798 1.00 30.10 C ATOM 316 NH1 ARG A 20 8.131 14.274 2.227 1.00 62.41 N ATOM 317 NH2 ARG A 20 10.092 15.453 2.358 1.00 62.11 N ATOM 0 H ARG A 20 3.604 16.894 -2.804 1.00 71.44 H new ATOM 0 HA ARG A 20 4.451 15.749 -0.422 1.00 74.13 H new ATOM 0 HB2 ARG A 20 5.886 16.458 -2.325 1.00 31.33 H new ATOM 0 HB3 ARG A 20 5.500 18.139 -2.017 1.00 31.33 H new ATOM 0 HG2 ARG A 20 7.746 17.624 -1.218 1.00 34.43 H new ATOM 0 HG3 ARG A 20 6.711 18.055 0.129 1.00 34.43 H new ATOM 0 HD2 ARG A 20 6.426 15.694 0.723 1.00 31.14 H new ATOM 0 HD3 ARG A 20 7.335 15.195 -0.690 1.00 31.14 H new ATOM 0 HE ARG A 20 9.106 16.871 0.595 1.00 74.23 H new ATOM 0 HH11 ARG A 20 7.207 14.136 1.817 1.00 62.41 H new ATOM 0 HH12 ARG A 20 8.459 13.653 2.967 1.00 62.41 H new ATOM 0 HH21 ARG A 20 10.683 16.225 2.050 1.00 62.11 H new ATOM 0 HH22 ARG A 20 10.413 14.828 3.097 1.00 62.11 H new ATOM 331 N ALA A 21 3.452 18.834 -0.017 1.00 64.23 N ATOM 332 CA ALA A 21 3.126 19.841 0.977 1.00 3.34 C ATOM 333 C ALA A 21 1.893 19.464 1.790 1.00 15.14 C ATOM 334 O ALA A 21 1.753 19.870 2.940 1.00 43.02 O ATOM 335 CB ALA A 21 2.914 21.170 0.309 1.00 23.41 C ATOM 0 H ALA A 21 3.201 19.090 -0.972 1.00 64.23 H new ATOM 0 HA ALA A 21 3.967 19.906 1.668 1.00 3.34 H new ATOM 0 HB1 ALA A 21 2.670 21.920 1.061 1.00 23.41 H new ATOM 0 HB2 ALA A 21 3.824 21.463 -0.214 1.00 23.41 H new ATOM 0 HB3 ALA A 21 2.094 21.092 -0.405 1.00 23.41 H new ATOM 341 N ASN A 22 1.024 18.660 1.212 1.00 4.41 N ATOM 342 CA ASN A 22 -0.222 18.268 1.878 1.00 52.22 C ATOM 343 C ASN A 22 0.016 17.019 2.725 1.00 21.23 C ATOM 344 O ASN A 22 -0.879 16.493 3.370 1.00 62.32 O ATOM 345 CB ASN A 22 -1.344 18.047 0.831 1.00 54.12 C ATOM 346 CG ASN A 22 -2.732 17.732 1.424 1.00 53.21 C ATOM 347 OD1 ASN A 22 -3.073 18.136 2.549 1.00 20.44 O ATOM 348 ND2 ASN A 22 -3.550 17.046 0.661 1.00 51.50 N ATOM 0 H ASN A 22 1.149 18.260 0.282 1.00 4.41 H new ATOM 0 HA ASN A 22 -0.548 19.068 2.542 1.00 52.22 H new ATOM 0 HB2 ASN A 22 -1.424 18.940 0.211 1.00 54.12 H new ATOM 0 HB3 ASN A 22 -1.051 17.228 0.174 1.00 54.12 H new ATOM 0 HD21 ASN A 22 -4.492 16.832 0.987 1.00 51.50 H new ATOM 0 HD22 ASN A 22 -3.243 16.727 -0.258 1.00 51.50 H new ATOM 355 N VAL A 23 1.245 16.569 2.738 1.00 0.02 N ATOM 356 CA VAL A 23 1.609 15.426 3.535 1.00 41.01 C ATOM 357 C VAL A 23 2.012 15.853 4.938 1.00 60.02 C ATOM 358 O VAL A 23 2.954 16.609 5.128 1.00 33.30 O ATOM 359 CB VAL A 23 2.735 14.591 2.905 1.00 44.03 C ATOM 360 CG1 VAL A 23 3.157 13.476 3.828 1.00 43.12 C ATOM 361 CG2 VAL A 23 2.323 14.043 1.558 1.00 25.34 C ATOM 0 H VAL A 23 2.012 16.978 2.204 1.00 0.02 H new ATOM 0 HA VAL A 23 0.722 14.794 3.584 1.00 41.01 H new ATOM 0 HB VAL A 23 3.590 15.250 2.751 1.00 44.03 H new ATOM 0 HG11 VAL A 23 3.955 12.899 3.360 1.00 43.12 H new ATOM 0 HG12 VAL A 23 3.516 13.897 4.767 1.00 43.12 H new ATOM 0 HG13 VAL A 23 2.305 12.825 4.025 1.00 43.12 H new ATOM 0 HG21 VAL A 23 3.141 13.457 1.138 1.00 25.34 H new ATOM 0 HG22 VAL A 23 1.445 13.408 1.677 1.00 25.34 H new ATOM 0 HG23 VAL A 23 2.086 14.868 0.887 1.00 25.34 H new ATOM 371 N LYS A 24 1.258 15.397 5.886 1.00 32.14 N ATOM 372 CA LYS A 24 1.480 15.614 7.285 1.00 54.22 C ATOM 373 C LYS A 24 2.607 14.676 7.727 1.00 75.35 C ATOM 374 O LYS A 24 3.647 15.093 8.237 1.00 51.11 O ATOM 375 CB LYS A 24 0.218 15.166 8.048 1.00 53.52 C ATOM 376 CG LYS A 24 0.146 15.656 9.465 1.00 54.52 C ATOM 377 CD LYS A 24 -0.462 17.030 9.492 1.00 4.12 C ATOM 378 CE LYS A 24 -1.989 16.957 9.393 1.00 74.23 C ATOM 379 NZ LYS A 24 -2.597 16.278 10.568 1.00 44.32 N ATOM 0 H LYS A 24 0.428 14.834 5.699 1.00 32.14 H new ATOM 0 HA LYS A 24 1.716 16.661 7.476 1.00 54.22 H new ATOM 0 HB2 LYS A 24 -0.662 15.518 7.509 1.00 53.52 H new ATOM 0 HB3 LYS A 24 0.176 14.077 8.050 1.00 53.52 H new ATOM 0 HG2 LYS A 24 -0.451 14.971 10.068 1.00 54.52 H new ATOM 0 HG3 LYS A 24 1.144 15.680 9.904 1.00 54.52 H new ATOM 0 HD2 LYS A 24 -0.178 17.539 10.413 1.00 4.12 H new ATOM 0 HD3 LYS A 24 -0.068 17.622 8.666 1.00 4.12 H new ATOM 0 HE2 LYS A 24 -2.394 17.965 9.308 1.00 74.23 H new ATOM 0 HE3 LYS A 24 -2.267 16.424 8.484 1.00 74.23 H new ATOM 0 HZ1 LYS A 24 -3.206 15.500 10.243 1.00 44.32 H new ATOM 0 HZ2 LYS A 24 -1.845 15.898 11.177 1.00 44.32 H new ATOM 0 HZ3 LYS A 24 -3.167 16.961 11.107 1.00 44.32 H new ATOM 393 N HIS A 25 2.365 13.412 7.468 1.00 35.43 N ATOM 394 CA HIS A 25 3.193 12.289 7.881 1.00 14.23 C ATOM 395 C HIS A 25 3.593 11.491 6.652 1.00 70.23 C ATOM 396 O HIS A 25 2.734 11.128 5.885 1.00 24.03 O ATOM 397 CB HIS A 25 2.323 11.424 8.825 1.00 23.24 C ATOM 398 CG HIS A 25 2.862 10.074 9.195 1.00 11.42 C ATOM 399 ND1 HIS A 25 3.391 9.784 10.423 1.00 4.42 N ATOM 400 CD2 HIS A 25 2.865 8.912 8.500 1.00 34.24 C ATOM 401 CE1 HIS A 25 3.700 8.508 10.475 1.00 11.13 C ATOM 402 NE2 HIS A 25 3.388 7.955 9.323 1.00 11.42 N ATOM 0 H HIS A 25 1.545 13.118 6.937 1.00 35.43 H new ATOM 0 HA HIS A 25 4.101 12.616 8.387 1.00 14.23 H new ATOM 0 HB2 HIS A 25 2.156 11.987 9.744 1.00 23.24 H new ATOM 0 HB3 HIS A 25 1.349 11.284 8.356 1.00 23.24 H new ATOM 0 HD1 HIS A 25 3.525 10.454 11.180 1.00 4.42 H new ATOM 0 HD2 HIS A 25 2.519 8.769 7.487 1.00 34.24 H new ATOM 0 HE1 HIS A 25 4.137 7.999 11.321 1.00 11.13 H new ATOM 411 N LEU A 26 4.871 11.220 6.485 1.00 44.30 N ATOM 412 CA LEU A 26 5.363 10.464 5.343 1.00 43.10 C ATOM 413 C LEU A 26 6.126 9.245 5.874 1.00 31.14 C ATOM 414 O LEU A 26 7.203 9.389 6.459 1.00 13.25 O ATOM 415 CB LEU A 26 6.303 11.350 4.508 1.00 22.34 C ATOM 416 CG LEU A 26 6.592 10.908 3.048 1.00 55.13 C ATOM 417 CD1 LEU A 26 7.148 9.519 2.926 1.00 14.40 C ATOM 418 CD2 LEU A 26 5.401 11.084 2.133 1.00 41.22 C ATOM 0 H LEU A 26 5.600 11.515 7.134 1.00 44.30 H new ATOM 0 HA LEU A 26 4.535 10.141 4.711 1.00 43.10 H new ATOM 0 HB2 LEU A 26 5.881 12.355 4.478 1.00 22.34 H new ATOM 0 HB3 LEU A 26 7.255 11.420 5.034 1.00 22.34 H new ATOM 0 HG LEU A 26 7.376 11.589 2.718 1.00 55.13 H new ATOM 0 HD11 LEU A 26 7.322 9.288 1.875 1.00 14.40 H new ATOM 0 HD12 LEU A 26 8.089 9.454 3.472 1.00 14.40 H new ATOM 0 HD13 LEU A 26 6.437 8.805 3.342 1.00 14.40 H new ATOM 0 HD21 LEU A 26 5.664 10.758 1.127 1.00 41.22 H new ATOM 0 HD22 LEU A 26 4.567 10.486 2.502 1.00 41.22 H new ATOM 0 HD23 LEU A 26 5.112 12.135 2.110 1.00 41.22 H new ATOM 430 N LYS A 27 5.577 8.065 5.669 1.00 50.21 N ATOM 431 CA LYS A 27 6.138 6.830 6.175 1.00 42.34 C ATOM 432 C LYS A 27 6.180 5.851 4.997 1.00 4.04 C ATOM 433 O LYS A 27 5.162 5.584 4.401 1.00 74.44 O ATOM 434 CB LYS A 27 5.148 6.295 7.222 1.00 45.34 C ATOM 435 CG LYS A 27 5.650 5.359 8.352 1.00 3.21 C ATOM 436 CD LYS A 27 6.434 4.124 7.916 1.00 1.02 C ATOM 437 CE LYS A 27 7.918 4.422 7.730 1.00 52.53 C ATOM 438 NZ LYS A 27 8.708 3.195 7.470 1.00 2.25 N ATOM 0 H LYS A 27 4.716 7.936 5.138 1.00 50.21 H new ATOM 0 HA LYS A 27 7.130 6.962 6.607 1.00 42.34 H new ATOM 0 HB2 LYS A 27 4.681 7.157 7.698 1.00 45.34 H new ATOM 0 HB3 LYS A 27 4.363 5.763 6.685 1.00 45.34 H new ATOM 0 HG2 LYS A 27 6.279 5.943 9.024 1.00 3.21 H new ATOM 0 HG3 LYS A 27 4.787 5.029 8.930 1.00 3.21 H new ATOM 0 HD2 LYS A 27 6.313 3.337 8.661 1.00 1.02 H new ATOM 0 HD3 LYS A 27 6.021 3.744 6.981 1.00 1.02 H new ATOM 0 HE2 LYS A 27 8.046 5.117 6.900 1.00 52.53 H new ATOM 0 HE3 LYS A 27 8.302 4.917 8.622 1.00 52.53 H new ATOM 0 HZ1 LYS A 27 9.710 3.375 7.683 1.00 2.25 H new ATOM 0 HZ2 LYS A 27 8.359 2.423 8.073 1.00 2.25 H new ATOM 0 HZ3 LYS A 27 8.610 2.924 6.471 1.00 2.25 H new ATOM 452 N ILE A 28 7.325 5.331 4.655 1.00 3.12 N ATOM 453 CA ILE A 28 7.384 4.402 3.531 1.00 11.33 C ATOM 454 C ILE A 28 7.171 2.971 4.028 1.00 72.12 C ATOM 455 O ILE A 28 7.828 2.532 4.984 1.00 60.14 O ATOM 456 CB ILE A 28 8.738 4.473 2.788 1.00 31.13 C ATOM 457 CG1 ILE A 28 9.069 5.912 2.451 1.00 55.24 C ATOM 458 CG2 ILE A 28 8.685 3.693 1.494 1.00 41.04 C ATOM 459 CD1 ILE A 28 10.256 6.041 1.540 1.00 45.02 C ATOM 0 H ILE A 28 8.215 5.519 5.116 1.00 3.12 H new ATOM 0 HA ILE A 28 6.596 4.689 2.835 1.00 11.33 H new ATOM 0 HB ILE A 28 9.497 4.047 3.444 1.00 31.13 H new ATOM 0 HG12 ILE A 28 8.203 6.378 1.980 1.00 55.24 H new ATOM 0 HG13 ILE A 28 9.264 6.460 3.373 1.00 55.24 H new ATOM 0 HG21 ILE A 28 9.649 3.758 0.990 1.00 41.04 H new ATOM 0 HG22 ILE A 28 8.457 2.649 1.708 1.00 41.04 H new ATOM 0 HG23 ILE A 28 7.910 4.109 0.850 1.00 41.04 H new ATOM 0 HD11 ILE A 28 10.444 7.095 1.334 1.00 45.02 H new ATOM 0 HD12 ILE A 28 11.132 5.603 2.019 1.00 45.02 H new ATOM 0 HD13 ILE A 28 10.055 5.519 0.604 1.00 45.02 H new ATOM 471 N LEU A 29 6.251 2.264 3.410 1.00 30.52 N ATOM 472 CA LEU A 29 5.965 0.892 3.770 1.00 53.45 C ATOM 473 C LEU A 29 6.365 -0.065 2.683 1.00 23.22 C ATOM 474 O LEU A 29 6.329 0.264 1.489 1.00 51.03 O ATOM 475 CB LEU A 29 4.482 0.663 4.111 1.00 73.41 C ATOM 476 CG LEU A 29 3.929 1.370 5.350 1.00 21.13 C ATOM 477 CD1 LEU A 29 2.491 0.951 5.587 1.00 32.23 C ATOM 478 CD2 LEU A 29 4.776 1.065 6.577 1.00 21.42 C ATOM 0 H LEU A 29 5.680 2.623 2.645 1.00 30.52 H new ATOM 0 HA LEU A 29 6.560 0.699 4.663 1.00 53.45 H new ATOM 0 HB2 LEU A 29 3.887 0.973 3.252 1.00 73.41 H new ATOM 0 HB3 LEU A 29 4.326 -0.409 4.237 1.00 73.41 H new ATOM 0 HG LEU A 29 3.964 2.445 5.175 1.00 21.13 H new ATOM 0 HD11 LEU A 29 2.105 1.459 6.471 1.00 32.23 H new ATOM 0 HD12 LEU A 29 1.886 1.220 4.721 1.00 32.23 H new ATOM 0 HD13 LEU A 29 2.447 -0.127 5.740 1.00 32.23 H new ATOM 0 HD21 LEU A 29 4.361 1.580 7.443 1.00 21.42 H new ATOM 0 HD22 LEU A 29 4.778 -0.010 6.760 1.00 21.42 H new ATOM 0 HD23 LEU A 29 5.797 1.406 6.408 1.00 21.42 H new ATOM 490 N ASN A 30 6.808 -1.208 3.103 1.00 72.42 N ATOM 491 CA ASN A 30 7.083 -2.300 2.223 1.00 45.22 C ATOM 492 C ASN A 30 6.381 -3.550 2.734 1.00 33.45 C ATOM 493 O ASN A 30 6.484 -3.902 3.916 1.00 54.13 O ATOM 494 CB ASN A 30 8.611 -2.502 1.958 1.00 25.24 C ATOM 495 CG ASN A 30 9.488 -2.661 3.198 1.00 44.13 C ATOM 496 OD1 ASN A 30 9.069 -3.172 4.216 1.00 74.45 O ATOM 497 ND2 ASN A 30 10.713 -2.200 3.113 1.00 3.12 N ATOM 0 H ASN A 30 6.992 -1.412 4.085 1.00 72.42 H new ATOM 0 HA ASN A 30 6.676 -2.066 1.239 1.00 45.22 H new ATOM 0 HB2 ASN A 30 8.738 -3.385 1.332 1.00 25.24 H new ATOM 0 HB3 ASN A 30 8.976 -1.650 1.385 1.00 25.24 H new ATOM 0 HD21 ASN A 30 11.340 -2.266 3.915 1.00 3.12 H new ATOM 0 HD22 ASN A 30 11.039 -1.775 2.245 1.00 3.12 H new ATOM 504 N THR A 31 5.626 -4.182 1.879 1.00 62.34 N ATOM 505 CA THR A 31 4.880 -5.352 2.271 1.00 51.10 C ATOM 506 C THR A 31 5.340 -6.595 1.510 1.00 62.23 C ATOM 507 O THR A 31 5.277 -6.628 0.291 1.00 73.25 O ATOM 508 CB THR A 31 3.362 -5.123 2.128 1.00 62.11 C ATOM 509 OG1 THR A 31 3.061 -4.552 0.844 1.00 5.14 O ATOM 510 CG2 THR A 31 2.844 -4.217 3.233 1.00 33.13 C ATOM 0 H THR A 31 5.509 -3.908 0.903 1.00 62.34 H new ATOM 0 HA THR A 31 5.083 -5.531 3.327 1.00 51.10 H new ATOM 0 HB THR A 31 2.865 -6.090 2.212 1.00 62.11 H new ATOM 0 HG1 THR A 31 3.692 -4.896 0.177 1.00 5.14 H new ATOM 0 HG21 THR A 31 1.771 -4.071 3.110 1.00 33.13 H new ATOM 0 HG22 THR A 31 3.039 -4.677 4.202 1.00 33.13 H new ATOM 0 HG23 THR A 31 3.350 -3.253 3.180 1.00 33.13 H new ATOM 518 N PRO A 32 5.815 -7.630 2.241 1.00 2.31 N ATOM 519 CA PRO A 32 6.380 -8.870 1.653 1.00 61.23 C ATOM 520 C PRO A 32 5.487 -9.549 0.595 1.00 43.54 C ATOM 521 O PRO A 32 5.978 -9.991 -0.443 1.00 12.31 O ATOM 522 CB PRO A 32 6.548 -9.785 2.867 1.00 44.13 C ATOM 523 CG PRO A 32 6.734 -8.856 4.006 1.00 23.22 C ATOM 524 CD PRO A 32 5.854 -7.675 3.719 1.00 13.42 C ATOM 0 HA PRO A 32 7.298 -8.651 1.109 1.00 61.23 H new ATOM 0 HB2 PRO A 32 5.673 -10.419 3.010 1.00 44.13 H new ATOM 0 HB3 PRO A 32 7.406 -10.447 2.750 1.00 44.13 H new ATOM 0 HG2 PRO A 32 6.456 -9.331 4.947 1.00 23.22 H new ATOM 0 HG3 PRO A 32 7.777 -8.553 4.097 1.00 23.22 H new ATOM 0 HD2 PRO A 32 4.858 -7.803 4.144 1.00 13.42 H new ATOM 0 HD3 PRO A 32 6.264 -6.756 4.139 1.00 13.42 H new ATOM 532 N ASN A 33 4.198 -9.596 0.836 1.00 62.45 N ATOM 533 CA ASN A 33 3.285 -10.300 -0.064 1.00 52.20 C ATOM 534 C ASN A 33 2.561 -9.337 -0.986 1.00 24.33 C ATOM 535 O ASN A 33 1.634 -9.726 -1.699 1.00 31.21 O ATOM 536 CB ASN A 33 2.250 -11.116 0.722 1.00 24.23 C ATOM 537 CG ASN A 33 2.861 -12.118 1.670 1.00 44.23 C ATOM 538 OD1 ASN A 33 3.141 -13.259 1.300 1.00 61.15 O ATOM 539 ND2 ASN A 33 3.039 -11.721 2.903 1.00 51.05 N ATOM 0 H ASN A 33 3.749 -9.160 1.642 1.00 62.45 H new ATOM 0 HA ASN A 33 3.894 -10.975 -0.665 1.00 52.20 H new ATOM 0 HB2 ASN A 33 1.616 -10.433 1.288 1.00 24.23 H new ATOM 0 HB3 ASN A 33 1.604 -11.642 0.018 1.00 24.23 H new ATOM 0 HD21 ASN A 33 3.422 -12.364 3.596 1.00 51.05 H new ATOM 0 HD22 ASN A 33 2.795 -10.768 3.172 1.00 51.05 H new ATOM 546 N CYS A 34 2.973 -8.101 -0.976 1.00 1.14 N ATOM 547 CA CYS A 34 2.361 -7.089 -1.806 1.00 43.43 C ATOM 548 C CYS A 34 3.445 -6.227 -2.439 1.00 43.14 C ATOM 549 O CYS A 34 4.620 -6.616 -2.470 1.00 74.24 O ATOM 550 CB CYS A 34 1.400 -6.224 -0.972 1.00 2.41 C ATOM 551 SG CYS A 34 -0.019 -7.108 -0.244 1.00 13.00 S ATOM 0 H CYS A 34 3.740 -7.762 -0.396 1.00 1.14 H new ATOM 0 HA CYS A 34 1.785 -7.571 -2.596 1.00 43.43 H new ATOM 0 HB2 CYS A 34 1.966 -5.756 -0.167 1.00 2.41 H new ATOM 0 HB3 CYS A 34 1.020 -5.421 -1.604 1.00 2.41 H new ATOM 556 N ALA A 35 3.062 -5.105 -2.984 1.00 43.13 N ATOM 557 CA ALA A 35 4.000 -4.184 -3.576 1.00 24.00 C ATOM 558 C ALA A 35 4.364 -3.098 -2.567 1.00 54.21 C ATOM 559 O ALA A 35 4.144 -3.263 -1.356 1.00 12.21 O ATOM 560 CB ALA A 35 3.380 -3.571 -4.811 1.00 31.45 C ATOM 0 H ALA A 35 2.090 -4.801 -3.031 1.00 43.13 H new ATOM 0 HA ALA A 35 4.910 -4.713 -3.858 1.00 24.00 H new ATOM 0 HB1 ALA A 35 4.084 -2.873 -5.264 1.00 31.45 H new ATOM 0 HB2 ALA A 35 3.139 -4.358 -5.526 1.00 31.45 H new ATOM 0 HB3 ALA A 35 2.469 -3.039 -4.535 1.00 31.45 H new ATOM 566 N LEU A 36 4.934 -2.017 -3.053 1.00 51.43 N ATOM 567 CA LEU A 36 5.296 -0.905 -2.207 1.00 71.11 C ATOM 568 C LEU A 36 4.172 0.046 -2.045 1.00 32.13 C ATOM 569 O LEU A 36 3.321 0.210 -2.940 1.00 20.34 O ATOM 570 CB LEU A 36 6.529 -0.131 -2.716 1.00 51.33 C ATOM 571 CG LEU A 36 7.899 -0.780 -2.539 1.00 14.23 C ATOM 572 CD1 LEU A 36 8.213 -0.965 -1.075 1.00 5.10 C ATOM 573 CD2 LEU A 36 7.986 -2.089 -3.262 1.00 1.10 C ATOM 0 H LEU A 36 5.158 -1.886 -4.039 1.00 51.43 H new ATOM 0 HA LEU A 36 5.547 -1.351 -1.244 1.00 71.11 H new ATOM 0 HB2 LEU A 36 6.386 0.065 -3.779 1.00 51.33 H new ATOM 0 HB3 LEU A 36 6.549 0.836 -2.213 1.00 51.33 H new ATOM 0 HG LEU A 36 8.640 -0.110 -2.975 1.00 14.23 H new ATOM 0 HD11 LEU A 36 9.194 -1.429 -0.969 1.00 5.10 H new ATOM 0 HD12 LEU A 36 8.215 0.005 -0.578 1.00 5.10 H new ATOM 0 HD13 LEU A 36 7.458 -1.605 -0.619 1.00 5.10 H new ATOM 0 HD21 LEU A 36 8.975 -2.522 -3.113 1.00 1.10 H new ATOM 0 HD22 LEU A 36 7.230 -2.771 -2.873 1.00 1.10 H new ATOM 0 HD23 LEU A 36 7.816 -1.929 -4.327 1.00 1.10 H new ATOM 585 N GLN A 37 4.181 0.673 -0.926 1.00 44.34 N ATOM 586 CA GLN A 37 3.217 1.676 -0.587 1.00 63.31 C ATOM 587 C GLN A 37 3.797 2.707 0.337 1.00 22.43 C ATOM 588 O GLN A 37 4.266 2.402 1.424 1.00 44.51 O ATOM 589 CB GLN A 37 1.879 1.113 -0.044 1.00 42.10 C ATOM 590 CG GLN A 37 1.914 0.257 1.213 1.00 23.01 C ATOM 591 CD GLN A 37 2.594 -1.087 1.020 1.00 15.03 C ATOM 592 OE1 GLN A 37 3.781 -1.244 1.240 1.00 41.25 O ATOM 593 NE2 GLN A 37 1.840 -2.049 0.567 1.00 41.34 N ATOM 0 H GLN A 37 4.873 0.505 -0.196 1.00 44.34 H new ATOM 0 HA GLN A 37 2.963 2.163 -1.529 1.00 63.31 H new ATOM 0 HB2 GLN A 37 1.216 1.957 0.147 1.00 42.10 H new ATOM 0 HB3 GLN A 37 1.421 0.521 -0.837 1.00 42.10 H new ATOM 0 HG2 GLN A 37 2.431 0.805 2.001 1.00 23.01 H new ATOM 0 HG3 GLN A 37 0.893 0.091 1.557 1.00 23.01 H new ATOM 0 HE21 GLN A 37 0.849 -1.882 0.394 1.00 41.34 H new ATOM 0 HE22 GLN A 37 2.241 -2.969 0.386 1.00 41.34 H new ATOM 602 N ILE A 38 3.791 3.920 -0.100 1.00 73.34 N ATOM 603 CA ILE A 38 4.281 4.984 0.711 1.00 72.51 C ATOM 604 C ILE A 38 3.103 5.615 1.386 1.00 24.35 C ATOM 605 O ILE A 38 2.131 5.933 0.746 1.00 72.22 O ATOM 606 CB ILE A 38 5.077 6.015 -0.125 1.00 61.51 C ATOM 607 CG1 ILE A 38 6.225 5.278 -0.831 1.00 22.11 C ATOM 608 CG2 ILE A 38 5.613 7.129 0.766 1.00 24.23 C ATOM 609 CD1 ILE A 38 7.193 6.155 -1.585 1.00 62.12 C ATOM 0 H ILE A 38 3.450 4.202 -1.019 1.00 73.34 H new ATOM 0 HA ILE A 38 4.978 4.599 1.455 1.00 72.51 H new ATOM 0 HB ILE A 38 4.425 6.477 -0.866 1.00 61.51 H new ATOM 0 HG12 ILE A 38 6.781 4.710 -0.086 1.00 22.11 H new ATOM 0 HG13 ILE A 38 5.797 4.557 -1.527 1.00 22.11 H new ATOM 0 HG21 ILE A 38 6.170 7.844 0.160 1.00 24.23 H new ATOM 0 HG22 ILE A 38 4.781 7.637 1.254 1.00 24.23 H new ATOM 0 HG23 ILE A 38 6.272 6.704 1.523 1.00 24.23 H new ATOM 0 HD11 ILE A 38 7.963 5.535 -2.045 1.00 62.12 H new ATOM 0 HD12 ILE A 38 6.658 6.705 -2.360 1.00 62.12 H new ATOM 0 HD13 ILE A 38 7.658 6.860 -0.896 1.00 62.12 H new ATOM 621 N VAL A 39 3.172 5.754 2.659 1.00 2.13 N ATOM 622 CA VAL A 39 2.039 6.228 3.413 1.00 65.11 C ATOM 623 C VAL A 39 2.201 7.665 3.809 1.00 73.11 C ATOM 624 O VAL A 39 3.231 8.068 4.347 1.00 31.24 O ATOM 625 CB VAL A 39 1.758 5.337 4.661 1.00 55.05 C ATOM 626 CG1 VAL A 39 0.612 5.890 5.497 1.00 0.15 C ATOM 627 CG2 VAL A 39 1.430 3.929 4.218 1.00 3.02 C ATOM 0 H VAL A 39 4.001 5.548 3.217 1.00 2.13 H new ATOM 0 HA VAL A 39 1.172 6.158 2.756 1.00 65.11 H new ATOM 0 HB VAL A 39 2.655 5.333 5.280 1.00 55.05 H new ATOM 0 HG11 VAL A 39 0.445 5.243 6.358 1.00 0.15 H new ATOM 0 HG12 VAL A 39 0.863 6.894 5.840 1.00 0.15 H new ATOM 0 HG13 VAL A 39 -0.294 5.930 4.892 1.00 0.15 H new ATOM 0 HG21 VAL A 39 1.234 3.309 5.093 1.00 3.02 H new ATOM 0 HG22 VAL A 39 0.547 3.945 3.579 1.00 3.02 H new ATOM 0 HG23 VAL A 39 2.272 3.517 3.662 1.00 3.02 H new ATOM 637 N ALA A 40 1.199 8.426 3.535 1.00 71.40 N ATOM 638 CA ALA A 40 1.181 9.796 3.884 1.00 75.32 C ATOM 639 C ALA A 40 -0.092 10.116 4.560 1.00 5.31 C ATOM 640 O ALA A 40 -1.070 9.445 4.377 1.00 13.44 O ATOM 641 CB ALA A 40 1.321 10.649 2.674 1.00 72.24 C ATOM 0 H ALA A 40 0.358 8.105 3.055 1.00 71.40 H new ATOM 0 HA ALA A 40 2.019 9.994 4.553 1.00 75.32 H new ATOM 0 HB1 ALA A 40 1.305 11.699 2.965 1.00 72.24 H new ATOM 0 HB2 ALA A 40 2.265 10.425 2.178 1.00 72.24 H new ATOM 0 HB3 ALA A 40 0.496 10.449 1.991 1.00 72.24 H new ATOM 647 N ARG A 41 -0.074 11.080 5.380 1.00 33.32 N ATOM 648 CA ARG A 41 -1.266 11.534 5.970 1.00 51.25 C ATOM 649 C ARG A 41 -1.556 12.925 5.497 1.00 31.30 C ATOM 650 O ARG A 41 -0.676 13.740 5.449 1.00 42.31 O ATOM 651 CB ARG A 41 -1.214 11.414 7.455 1.00 12.44 C ATOM 652 CG ARG A 41 -2.476 11.820 8.142 1.00 54.41 C ATOM 653 CD ARG A 41 -2.396 11.421 9.557 1.00 4.44 C ATOM 654 NE ARG A 41 -3.548 11.864 10.329 1.00 13.25 N ATOM 655 CZ ARG A 41 -3.653 11.761 11.654 1.00 2.10 C ATOM 656 NH1 ARG A 41 -2.703 11.150 12.360 1.00 71.20 N ATOM 657 NH2 ARG A 41 -4.705 12.267 12.268 1.00 43.51 N ATOM 0 H ARG A 41 0.767 11.582 5.666 1.00 33.32 H new ATOM 0 HA ARG A 41 -2.096 10.901 5.656 1.00 51.25 H new ATOM 0 HB2 ARG A 41 -0.985 10.381 7.718 1.00 12.44 H new ATOM 0 HB3 ARG A 41 -0.395 12.027 7.830 1.00 12.44 H new ATOM 0 HG2 ARG A 41 -2.620 12.897 8.061 1.00 54.41 H new ATOM 0 HG3 ARG A 41 -3.334 11.347 7.665 1.00 54.41 H new ATOM 0 HD2 ARG A 41 -2.316 10.336 9.621 1.00 4.44 H new ATOM 0 HD3 ARG A 41 -1.488 11.834 9.996 1.00 4.44 H new ATOM 0 HE ARG A 41 -4.328 12.282 9.822 1.00 13.25 H new ATOM 0 HH11 ARG A 41 -1.889 10.757 11.887 1.00 71.20 H new ATOM 0 HH12 ARG A 41 -2.790 11.075 13.374 1.00 71.20 H new ATOM 0 HH21 ARG A 41 -5.434 12.735 11.729 1.00 43.51 H new ATOM 0 HH22 ARG A 41 -4.790 12.191 13.282 1.00 43.51 H new ATOM 671 N LEU A 42 -2.757 13.164 5.119 1.00 55.21 N ATOM 672 CA LEU A 42 -3.155 14.443 4.542 1.00 13.32 C ATOM 673 C LEU A 42 -3.252 15.568 5.595 1.00 11.34 C ATOM 674 O LEU A 42 -3.647 15.328 6.727 1.00 21.05 O ATOM 675 CB LEU A 42 -4.483 14.235 3.806 1.00 34.14 C ATOM 676 CG LEU A 42 -4.416 13.239 2.647 1.00 72.34 C ATOM 677 CD1 LEU A 42 -5.759 13.088 2.009 1.00 73.43 C ATOM 678 CD2 LEU A 42 -3.386 13.672 1.616 1.00 74.53 C ATOM 0 H LEU A 42 -3.516 12.487 5.192 1.00 55.21 H new ATOM 0 HA LEU A 42 -2.387 14.775 3.843 1.00 13.32 H new ATOM 0 HB2 LEU A 42 -5.230 13.891 4.521 1.00 34.14 H new ATOM 0 HB3 LEU A 42 -4.826 15.196 3.423 1.00 34.14 H new ATOM 0 HG LEU A 42 -4.110 12.273 3.049 1.00 72.34 H new ATOM 0 HD11 LEU A 42 -5.693 12.376 1.186 1.00 73.43 H new ATOM 0 HD12 LEU A 42 -6.474 12.724 2.747 1.00 73.43 H new ATOM 0 HD13 LEU A 42 -6.091 14.053 1.627 1.00 73.43 H new ATOM 0 HD21 LEU A 42 -3.358 12.947 0.803 1.00 74.53 H new ATOM 0 HD22 LEU A 42 -3.657 14.651 1.220 1.00 74.53 H new ATOM 0 HD23 LEU A 42 -2.404 13.729 2.085 1.00 74.53 H new ATOM 690 N LYS A 43 -2.837 16.781 5.216 1.00 31.34 N ATOM 691 CA LYS A 43 -2.960 17.954 6.074 1.00 1.54 C ATOM 692 C LYS A 43 -4.352 18.535 6.041 1.00 14.22 C ATOM 693 O LYS A 43 -4.901 18.922 7.067 1.00 73.53 O ATOM 694 CB LYS A 43 -2.016 19.064 5.644 1.00 32.21 C ATOM 695 CG LYS A 43 -0.579 18.804 5.936 1.00 5.53 C ATOM 696 CD LYS A 43 0.178 20.098 5.888 1.00 34.33 C ATOM 697 CE LYS A 43 1.562 19.930 6.413 1.00 1.35 C ATOM 698 NZ LYS A 43 2.457 19.219 5.486 1.00 53.51 N ATOM 0 H LYS A 43 -2.409 16.972 4.310 1.00 31.34 H new ATOM 0 HA LYS A 43 -2.716 17.604 7.077 1.00 1.54 H new ATOM 0 HB2 LYS A 43 -2.132 19.227 4.572 1.00 32.21 H new ATOM 0 HB3 LYS A 43 -2.313 19.988 6.140 1.00 32.21 H new ATOM 0 HG2 LYS A 43 -0.473 18.344 6.918 1.00 5.53 H new ATOM 0 HG3 LYS A 43 -0.169 18.102 5.209 1.00 5.53 H new ATOM 0 HD2 LYS A 43 0.217 20.462 4.861 1.00 34.33 H new ATOM 0 HD3 LYS A 43 -0.347 20.852 6.474 1.00 34.33 H new ATOM 0 HE2 LYS A 43 1.982 20.912 6.630 1.00 1.35 H new ATOM 0 HE3 LYS A 43 1.521 19.385 7.356 1.00 1.35 H new ATOM 0 HZ1 LYS A 43 3.427 19.576 5.598 1.00 53.51 H new ATOM 0 HZ2 LYS A 43 2.436 18.201 5.696 1.00 53.51 H new ATOM 0 HZ3 LYS A 43 2.141 19.378 4.508 1.00 53.51 H new ATOM 712 N ASN A 44 -4.926 18.578 4.861 1.00 41.43 N ATOM 713 CA ASN A 44 -6.242 19.187 4.675 1.00 30.15 C ATOM 714 C ASN A 44 -7.345 18.228 5.079 1.00 2.41 C ATOM 715 O ASN A 44 -8.282 18.592 5.787 1.00 50.24 O ATOM 716 CB ASN A 44 -6.422 19.587 3.199 1.00 3.33 C ATOM 717 CG ASN A 44 -7.768 20.244 2.884 1.00 13.33 C ATOM 718 OD1 ASN A 44 -8.298 20.088 1.783 1.00 72.40 O ATOM 719 ND2 ASN A 44 -8.310 20.994 3.807 1.00 32.42 N ATOM 0 H ASN A 44 -4.510 18.201 4.009 1.00 41.43 H new ATOM 0 HA ASN A 44 -6.305 20.072 5.308 1.00 30.15 H new ATOM 0 HB2 ASN A 44 -5.622 20.273 2.921 1.00 3.33 H new ATOM 0 HB3 ASN A 44 -6.310 18.698 2.578 1.00 3.33 H new ATOM 0 HD21 ASN A 44 -9.194 21.468 3.624 1.00 32.42 H new ATOM 0 HD22 ASN A 44 -7.849 21.105 4.710 1.00 32.42 H new ATOM 726 N ASN A 45 -7.212 17.005 4.654 1.00 20.22 N ATOM 727 CA ASN A 45 -8.227 15.994 4.895 1.00 73.35 C ATOM 728 C ASN A 45 -7.924 15.200 6.181 1.00 3.24 C ATOM 729 O ASN A 45 -8.774 14.488 6.698 1.00 23.11 O ATOM 730 CB ASN A 45 -8.321 15.097 3.649 1.00 51.34 C ATOM 731 CG ASN A 45 -9.352 13.991 3.703 1.00 32.40 C ATOM 732 OD1 ASN A 45 -10.378 14.087 4.375 1.00 52.55 O ATOM 733 ND2 ASN A 45 -9.104 12.956 2.950 1.00 62.20 N ATOM 0 H ASN A 45 -6.403 16.671 4.131 1.00 20.22 H new ATOM 0 HA ASN A 45 -9.197 16.462 5.060 1.00 73.35 H new ATOM 0 HB2 ASN A 45 -8.539 15.728 2.787 1.00 51.34 H new ATOM 0 HB3 ASN A 45 -7.344 14.647 3.475 1.00 51.34 H new ATOM 0 HD21 ASN A 45 -9.773 12.187 2.903 1.00 62.20 H new ATOM 0 HD22 ASN A 45 -8.241 12.915 2.408 1.00 62.20 H new ATOM 740 N ASN A 46 -6.691 15.343 6.675 1.00 44.33 N ATOM 741 CA ASN A 46 -6.198 14.712 7.946 1.00 20.11 C ATOM 742 C ASN A 46 -6.248 13.154 7.894 1.00 30.15 C ATOM 743 O ASN A 46 -6.015 12.462 8.891 1.00 42.04 O ATOM 744 CB ASN A 46 -6.975 15.265 9.171 1.00 75.34 C ATOM 745 CG ASN A 46 -6.346 14.881 10.509 1.00 65.42 C ATOM 746 OD1 ASN A 46 -5.125 14.712 10.612 1.00 43.05 O ATOM 747 ND2 ASN A 46 -7.163 14.745 11.533 1.00 62.32 N ATOM 0 H ASN A 46 -5.979 15.907 6.210 1.00 44.33 H new ATOM 0 HA ASN A 46 -5.148 14.984 8.056 1.00 20.11 H new ATOM 0 HB2 ASN A 46 -7.026 16.351 9.100 1.00 75.34 H new ATOM 0 HB3 ASN A 46 -8.000 14.895 9.140 1.00 75.34 H new ATOM 0 HD21 ASN A 46 -6.794 14.492 12.450 1.00 62.32 H new ATOM 0 HD22 ASN A 46 -8.165 14.893 11.409 1.00 62.32 H new ATOM 754 N ARG A 47 -6.488 12.632 6.717 1.00 72.31 N ATOM 755 CA ARG A 47 -6.633 11.241 6.464 1.00 55.55 C ATOM 756 C ARG A 47 -5.290 10.589 6.146 1.00 40.01 C ATOM 757 O ARG A 47 -4.488 11.157 5.423 1.00 31.23 O ATOM 758 CB ARG A 47 -7.563 11.100 5.269 1.00 20.34 C ATOM 759 CG ARG A 47 -7.517 9.762 4.648 1.00 45.12 C ATOM 760 CD ARG A 47 -8.377 9.678 3.395 1.00 64.40 C ATOM 761 NE ARG A 47 -8.331 8.341 2.783 1.00 33.50 N ATOM 762 CZ ARG A 47 -8.557 8.071 1.483 1.00 23.03 C ATOM 763 NH1 ARG A 47 -8.823 9.054 0.620 1.00 33.33 N ATOM 764 NH2 ARG A 47 -8.510 6.815 1.050 1.00 0.11 N ATOM 0 H ARG A 47 -6.590 13.202 5.877 1.00 72.31 H new ATOM 0 HA ARG A 47 -7.034 10.744 7.348 1.00 55.55 H new ATOM 0 HB2 ARG A 47 -8.584 11.311 5.586 1.00 20.34 H new ATOM 0 HB3 ARG A 47 -7.300 11.849 4.522 1.00 20.34 H new ATOM 0 HG2 ARG A 47 -6.486 9.516 4.395 1.00 45.12 H new ATOM 0 HG3 ARG A 47 -7.855 9.017 5.369 1.00 45.12 H new ATOM 0 HD2 ARG A 47 -9.408 9.926 3.646 1.00 64.40 H new ATOM 0 HD3 ARG A 47 -8.037 10.420 2.672 1.00 64.40 H new ATOM 0 HE ARG A 47 -8.110 7.554 3.393 1.00 33.50 H new ATOM 0 HH11 ARG A 47 -8.857 10.021 0.943 1.00 33.33 H new ATOM 0 HH12 ARG A 47 -8.993 8.838 -0.362 1.00 33.33 H new ATOM 0 HH21 ARG A 47 -8.303 6.058 1.702 1.00 0.11 H new ATOM 0 HH22 ARG A 47 -8.681 6.608 0.066 1.00 0.11 H new ATOM 778 N GLN A 48 -5.060 9.413 6.686 1.00 63.05 N ATOM 779 CA GLN A 48 -3.880 8.663 6.393 1.00 41.11 C ATOM 780 C GLN A 48 -4.134 7.883 5.100 1.00 54.34 C ATOM 781 O GLN A 48 -5.152 7.195 4.976 1.00 2.44 O ATOM 782 CB GLN A 48 -3.606 7.716 7.534 1.00 32.44 C ATOM 783 CG GLN A 48 -2.294 7.019 7.427 1.00 12.13 C ATOM 784 CD GLN A 48 -2.110 5.967 8.492 1.00 13.42 C ATOM 785 OE1 GLN A 48 -3.073 5.357 8.953 1.00 22.24 O ATOM 786 NE2 GLN A 48 -0.894 5.751 8.902 1.00 13.22 N ATOM 0 H GLN A 48 -5.694 8.957 7.342 1.00 63.05 H new ATOM 0 HA GLN A 48 -3.016 9.316 6.268 1.00 41.11 H new ATOM 0 HB2 GLN A 48 -3.638 8.271 8.472 1.00 32.44 H new ATOM 0 HB3 GLN A 48 -4.401 6.972 7.577 1.00 32.44 H new ATOM 0 HG2 GLN A 48 -2.212 6.555 6.444 1.00 12.13 H new ATOM 0 HG3 GLN A 48 -1.490 7.751 7.502 1.00 12.13 H new ATOM 0 HE21 GLN A 48 -0.119 6.276 8.497 1.00 13.22 H new ATOM 0 HE22 GLN A 48 -0.716 5.057 9.628 1.00 13.22 H new ATOM 795 N VAL A 49 -3.245 8.001 4.158 1.00 52.14 N ATOM 796 CA VAL A 49 -3.426 7.424 2.836 1.00 24.41 C ATOM 797 C VAL A 49 -2.204 6.677 2.343 1.00 3.42 C ATOM 798 O VAL A 49 -1.089 6.890 2.818 1.00 13.41 O ATOM 799 CB VAL A 49 -3.755 8.519 1.787 1.00 63.04 C ATOM 800 CG1 VAL A 49 -5.076 9.172 2.081 1.00 71.14 C ATOM 801 CG2 VAL A 49 -2.662 9.583 1.728 1.00 61.30 C ATOM 0 H VAL A 49 -2.364 8.502 4.275 1.00 52.14 H new ATOM 0 HA VAL A 49 -4.254 6.723 2.942 1.00 24.41 H new ATOM 0 HB VAL A 49 -3.812 8.024 0.818 1.00 63.04 H new ATOM 0 HG11 VAL A 49 -5.280 9.935 1.330 1.00 71.14 H new ATOM 0 HG12 VAL A 49 -5.866 8.421 2.060 1.00 71.14 H new ATOM 0 HG13 VAL A 49 -5.042 9.634 3.067 1.00 71.14 H new ATOM 0 HG21 VAL A 49 -2.925 10.334 0.983 1.00 61.30 H new ATOM 0 HG22 VAL A 49 -2.564 10.059 2.704 1.00 61.30 H new ATOM 0 HG23 VAL A 49 -1.715 9.117 1.455 1.00 61.30 H new ATOM 811 N CYS A 50 -2.427 5.812 1.389 1.00 63.14 N ATOM 812 CA CYS A 50 -1.366 5.134 0.712 1.00 62.11 C ATOM 813 C CYS A 50 -1.128 5.815 -0.631 1.00 52.35 C ATOM 814 O CYS A 50 -2.075 6.109 -1.378 1.00 11.13 O ATOM 815 CB CYS A 50 -1.677 3.644 0.537 1.00 62.30 C ATOM 816 SG CYS A 50 -1.767 2.706 2.110 1.00 63.13 S ATOM 0 H CYS A 50 -3.359 5.560 1.061 1.00 63.14 H new ATOM 0 HA CYS A 50 -0.458 5.193 1.312 1.00 62.11 H new ATOM 0 HB2 CYS A 50 -2.626 3.542 0.011 1.00 62.30 H new ATOM 0 HB3 CYS A 50 -0.911 3.196 -0.097 1.00 62.30 H new ATOM 821 N ILE A 51 0.102 6.098 -0.905 1.00 51.24 N ATOM 822 CA ILE A 51 0.509 6.804 -2.088 1.00 33.32 C ATOM 823 C ILE A 51 0.991 5.857 -3.186 1.00 2.32 C ATOM 824 O ILE A 51 1.642 4.844 -2.912 1.00 12.31 O ATOM 825 CB ILE A 51 1.642 7.804 -1.745 1.00 62.01 C ATOM 826 CG1 ILE A 51 1.161 8.880 -0.783 1.00 33.42 C ATOM 827 CG2 ILE A 51 2.204 8.434 -2.978 1.00 61.22 C ATOM 828 CD1 ILE A 51 2.241 9.870 -0.426 1.00 35.40 C ATOM 0 H ILE A 51 0.880 5.839 -0.298 1.00 51.24 H new ATOM 0 HA ILE A 51 -0.365 7.338 -2.462 1.00 33.32 H new ATOM 0 HB ILE A 51 2.433 7.234 -1.257 1.00 62.01 H new ATOM 0 HG12 ILE A 51 0.321 9.411 -1.230 1.00 33.42 H new ATOM 0 HG13 ILE A 51 0.792 8.408 0.128 1.00 33.42 H new ATOM 0 HG21 ILE A 51 2.996 9.130 -2.702 1.00 61.22 H new ATOM 0 HG22 ILE A 51 2.611 7.660 -3.629 1.00 61.22 H new ATOM 0 HG23 ILE A 51 1.415 8.972 -3.504 1.00 61.22 H new ATOM 0 HD11 ILE A 51 1.840 10.614 0.263 1.00 35.40 H new ATOM 0 HD12 ILE A 51 3.072 9.347 0.048 1.00 35.40 H new ATOM 0 HD13 ILE A 51 2.593 10.366 -1.330 1.00 35.40 H new ATOM 840 N ASP A 52 0.650 6.208 -4.420 1.00 31.13 N ATOM 841 CA ASP A 52 1.082 5.494 -5.608 1.00 13.30 C ATOM 842 C ASP A 52 2.537 5.887 -5.906 1.00 41.50 C ATOM 843 O ASP A 52 2.823 7.075 -6.121 1.00 42.33 O ATOM 844 CB ASP A 52 0.195 5.907 -6.784 1.00 34.50 C ATOM 845 CG ASP A 52 0.467 5.142 -8.058 1.00 1.21 C ATOM 846 OD1 ASP A 52 1.319 5.583 -8.853 1.00 60.20 O ATOM 847 OD2 ASP A 52 -0.196 4.103 -8.299 1.00 24.21 O ATOM 0 H ASP A 52 0.055 7.011 -4.623 1.00 31.13 H new ATOM 0 HA ASP A 52 1.008 4.417 -5.455 1.00 13.30 H new ATOM 0 HB2 ASP A 52 -0.849 5.767 -6.505 1.00 34.50 H new ATOM 0 HB3 ASP A 52 0.334 6.971 -6.975 1.00 34.50 H new ATOM 852 N PRO A 53 3.468 4.910 -5.930 1.00 53.01 N ATOM 853 CA PRO A 53 4.922 5.161 -6.116 1.00 44.52 C ATOM 854 C PRO A 53 5.286 5.828 -7.450 1.00 65.45 C ATOM 855 O PRO A 53 6.427 6.240 -7.655 1.00 63.44 O ATOM 856 CB PRO A 53 5.535 3.754 -6.051 1.00 71.04 C ATOM 857 CG PRO A 53 4.410 2.848 -6.385 1.00 54.23 C ATOM 858 CD PRO A 53 3.197 3.474 -5.770 1.00 33.12 C ATOM 0 HA PRO A 53 5.289 5.859 -5.363 1.00 44.52 H new ATOM 0 HB2 PRO A 53 6.357 3.645 -6.759 1.00 71.04 H new ATOM 0 HB3 PRO A 53 5.937 3.541 -5.061 1.00 71.04 H new ATOM 0 HG2 PRO A 53 4.295 2.746 -7.464 1.00 54.23 H new ATOM 0 HG3 PRO A 53 4.580 1.848 -5.987 1.00 54.23 H new ATOM 0 HD2 PRO A 53 2.282 3.174 -6.280 1.00 33.12 H new ATOM 0 HD3 PRO A 53 3.083 3.196 -4.722 1.00 33.12 H new ATOM 866 N LYS A 54 4.330 5.928 -8.352 1.00 72.21 N ATOM 867 CA LYS A 54 4.579 6.539 -9.627 1.00 14.12 C ATOM 868 C LYS A 54 4.457 8.057 -9.595 1.00 23.20 C ATOM 869 O LYS A 54 4.742 8.718 -10.593 1.00 53.42 O ATOM 870 CB LYS A 54 3.720 5.934 -10.705 1.00 62.44 C ATOM 871 CG LYS A 54 4.069 4.486 -10.981 1.00 53.42 C ATOM 872 CD LYS A 54 3.141 3.872 -11.994 1.00 54.15 C ATOM 873 CE LYS A 54 3.174 4.602 -13.333 1.00 73.14 C ATOM 874 NZ LYS A 54 2.258 3.991 -14.320 1.00 63.22 N ATOM 0 H LYS A 54 3.376 5.592 -8.219 1.00 72.21 H new ATOM 0 HA LYS A 54 5.620 6.326 -9.871 1.00 14.12 H new ATOM 0 HB2 LYS A 54 2.673 6.002 -10.411 1.00 62.44 H new ATOM 0 HB3 LYS A 54 3.832 6.513 -11.622 1.00 62.44 H new ATOM 0 HG2 LYS A 54 5.095 4.422 -11.342 1.00 53.42 H new ATOM 0 HG3 LYS A 54 4.022 3.917 -10.052 1.00 53.42 H new ATOM 0 HD2 LYS A 54 3.414 2.828 -12.146 1.00 54.15 H new ATOM 0 HD3 LYS A 54 2.124 3.882 -11.603 1.00 54.15 H new ATOM 0 HE2 LYS A 54 2.901 5.647 -13.183 1.00 73.14 H new ATOM 0 HE3 LYS A 54 4.190 4.591 -13.727 1.00 73.14 H new ATOM 0 HZ1 LYS A 54 2.311 4.517 -15.215 1.00 63.22 H new ATOM 0 HZ2 LYS A 54 2.533 3.001 -14.483 1.00 63.22 H new ATOM 0 HZ3 LYS A 54 1.284 4.024 -13.957 1.00 63.22 H new ATOM 888 N LEU A 55 4.012 8.623 -8.454 1.00 33.52 N ATOM 889 CA LEU A 55 4.002 10.085 -8.296 1.00 75.44 C ATOM 890 C LEU A 55 5.417 10.633 -8.456 1.00 43.01 C ATOM 891 O LEU A 55 6.351 10.118 -7.853 1.00 45.23 O ATOM 892 CB LEU A 55 3.415 10.488 -6.939 1.00 23.42 C ATOM 893 CG LEU A 55 1.898 10.299 -6.749 1.00 20.32 C ATOM 894 CD1 LEU A 55 1.487 10.771 -5.376 1.00 70.24 C ATOM 895 CD2 LEU A 55 1.127 11.084 -7.794 1.00 31.44 C ATOM 0 H LEU A 55 3.664 8.102 -7.649 1.00 33.52 H new ATOM 0 HA LEU A 55 3.367 10.514 -9.071 1.00 75.44 H new ATOM 0 HB2 LEU A 55 3.927 9.916 -6.165 1.00 23.42 H new ATOM 0 HB3 LEU A 55 3.650 11.538 -6.767 1.00 23.42 H new ATOM 0 HG LEU A 55 1.671 9.239 -6.858 1.00 20.32 H new ATOM 0 HD11 LEU A 55 0.413 10.634 -5.250 1.00 70.24 H new ATOM 0 HD12 LEU A 55 2.018 10.194 -4.619 1.00 70.24 H new ATOM 0 HD13 LEU A 55 1.733 11.827 -5.266 1.00 70.24 H new ATOM 0 HD21 LEU A 55 0.057 10.938 -7.643 1.00 31.44 H new ATOM 0 HD22 LEU A 55 1.365 12.144 -7.702 1.00 31.44 H new ATOM 0 HD23 LEU A 55 1.404 10.735 -8.789 1.00 31.44 H new ATOM 907 N LYS A 56 5.578 11.666 -9.268 1.00 22.44 N ATOM 908 CA LYS A 56 6.903 12.187 -9.565 1.00 31.13 C ATOM 909 C LYS A 56 7.561 12.765 -8.330 1.00 61.55 C ATOM 910 O LYS A 56 8.732 12.534 -8.115 1.00 30.10 O ATOM 911 CB LYS A 56 6.903 13.204 -10.719 1.00 32.35 C ATOM 912 CG LYS A 56 8.309 13.643 -11.141 1.00 50.13 C ATOM 913 CD LYS A 56 8.274 14.674 -12.257 1.00 24.01 C ATOM 914 CE LYS A 56 9.680 15.047 -12.734 1.00 75.13 C ATOM 915 NZ LYS A 56 10.516 15.627 -11.664 1.00 60.22 N ATOM 0 H LYS A 56 4.813 12.158 -9.730 1.00 22.44 H new ATOM 0 HA LYS A 56 7.495 11.336 -9.900 1.00 31.13 H new ATOM 0 HB2 LYS A 56 6.393 12.768 -11.578 1.00 32.35 H new ATOM 0 HB3 LYS A 56 6.330 14.082 -10.420 1.00 32.35 H new ATOM 0 HG2 LYS A 56 8.832 14.059 -10.280 1.00 50.13 H new ATOM 0 HG3 LYS A 56 8.877 12.773 -11.470 1.00 50.13 H new ATOM 0 HD2 LYS A 56 7.698 14.282 -13.095 1.00 24.01 H new ATOM 0 HD3 LYS A 56 7.760 15.569 -11.908 1.00 24.01 H new ATOM 0 HE2 LYS A 56 10.171 14.158 -13.130 1.00 75.13 H new ATOM 0 HE3 LYS A 56 9.602 15.761 -13.554 1.00 75.13 H new ATOM 0 HZ1 LYS A 56 11.208 16.282 -12.081 1.00 60.22 H new ATOM 0 HZ2 LYS A 56 9.912 16.142 -10.992 1.00 60.22 H new ATOM 0 HZ3 LYS A 56 11.018 14.865 -11.164 1.00 60.22 H new ATOM 929 N TRP A 57 6.795 13.478 -7.485 1.00 52.23 N ATOM 930 CA TRP A 57 7.380 14.054 -6.261 1.00 62.40 C ATOM 931 C TRP A 57 7.844 12.935 -5.330 1.00 2.12 C ATOM 932 O TRP A 57 8.748 13.109 -4.519 1.00 23.21 O ATOM 933 CB TRP A 57 6.418 15.014 -5.519 1.00 12.13 C ATOM 934 CG TRP A 57 5.231 14.374 -4.847 1.00 73.14 C ATOM 935 CD1 TRP A 57 3.985 14.169 -5.362 1.00 2.11 C ATOM 936 CD2 TRP A 57 5.194 13.869 -3.504 1.00 72.41 C ATOM 937 NE1 TRP A 57 3.186 13.589 -4.407 1.00 70.12 N ATOM 938 CE2 TRP A 57 3.904 13.389 -3.274 1.00 24.24 C ATOM 939 CE3 TRP A 57 6.137 13.782 -2.478 1.00 53.41 C ATOM 940 CZ2 TRP A 57 3.522 12.831 -2.065 1.00 45.24 C ATOM 941 CZ3 TRP A 57 5.765 13.225 -1.277 1.00 64.24 C ATOM 942 CH2 TRP A 57 4.469 12.754 -1.074 1.00 53.11 C ATOM 0 H TRP A 57 5.801 13.665 -7.619 1.00 52.23 H new ATOM 0 HA TRP A 57 8.235 14.656 -6.570 1.00 62.40 H new ATOM 0 HB2 TRP A 57 6.988 15.556 -4.765 1.00 12.13 H new ATOM 0 HB3 TRP A 57 6.052 15.752 -6.233 1.00 12.13 H new ATOM 0 HD1 TRP A 57 3.675 14.423 -6.365 1.00 2.11 H new ATOM 0 HE1 TRP A 57 2.203 13.346 -4.531 1.00 70.12 H new ATOM 0 HE3 TRP A 57 7.143 14.146 -2.625 1.00 53.41 H new ATOM 0 HZ2 TRP A 57 2.516 12.470 -1.908 1.00 45.24 H new ATOM 0 HZ3 TRP A 57 6.488 13.151 -0.479 1.00 64.24 H new ATOM 0 HH2 TRP A 57 4.205 12.321 -0.120 1.00 53.11 H new ATOM 953 N ILE A 58 7.209 11.790 -5.476 1.00 44.21 N ATOM 954 CA ILE A 58 7.546 10.599 -4.755 1.00 61.33 C ATOM 955 C ILE A 58 8.852 10.058 -5.260 1.00 53.31 C ATOM 956 O ILE A 58 9.698 9.652 -4.490 1.00 75.24 O ATOM 957 CB ILE A 58 6.411 9.546 -4.891 1.00 70.50 C ATOM 958 CG1 ILE A 58 5.234 9.894 -3.998 1.00 74.04 C ATOM 959 CG2 ILE A 58 6.876 8.130 -4.663 1.00 10.53 C ATOM 960 CD1 ILE A 58 5.552 9.815 -2.521 1.00 25.22 C ATOM 0 H ILE A 58 6.426 11.668 -6.118 1.00 44.21 H new ATOM 0 HA ILE A 58 7.655 10.835 -3.696 1.00 61.33 H new ATOM 0 HB ILE A 58 6.081 9.587 -5.929 1.00 70.50 H new ATOM 0 HG12 ILE A 58 4.894 10.902 -4.235 1.00 74.04 H new ATOM 0 HG13 ILE A 58 4.408 9.219 -4.220 1.00 74.04 H new ATOM 0 HG21 ILE A 58 6.033 7.448 -4.773 1.00 10.53 H new ATOM 0 HG22 ILE A 58 7.645 7.878 -5.393 1.00 10.53 H new ATOM 0 HG23 ILE A 58 7.287 8.039 -3.657 1.00 10.53 H new ATOM 0 HD11 ILE A 58 4.665 10.076 -1.943 1.00 25.22 H new ATOM 0 HD12 ILE A 58 5.863 8.801 -2.270 1.00 25.22 H new ATOM 0 HD13 ILE A 58 6.357 10.511 -2.284 1.00 25.22 H new ATOM 972 N GLN A 59 9.024 10.091 -6.550 1.00 3.54 N ATOM 973 CA GLN A 59 10.239 9.627 -7.151 1.00 64.22 C ATOM 974 C GLN A 59 11.380 10.599 -6.849 1.00 24.55 C ATOM 975 O GLN A 59 12.513 10.175 -6.656 1.00 42.55 O ATOM 976 CB GLN A 59 10.034 9.377 -8.640 1.00 64.11 C ATOM 977 CG GLN A 59 8.910 8.371 -8.887 1.00 11.25 C ATOM 978 CD GLN A 59 8.662 8.067 -10.339 1.00 65.20 C ATOM 979 OE1 GLN A 59 8.886 8.897 -11.214 1.00 71.03 O ATOM 980 NE2 GLN A 59 8.167 6.887 -10.607 1.00 14.22 N ATOM 0 H GLN A 59 8.329 10.439 -7.211 1.00 3.54 H new ATOM 0 HA GLN A 59 10.524 8.669 -6.717 1.00 64.22 H new ATOM 0 HB2 GLN A 59 9.799 10.317 -9.139 1.00 64.11 H new ATOM 0 HB3 GLN A 59 10.960 9.005 -9.079 1.00 64.11 H new ATOM 0 HG2 GLN A 59 9.149 7.442 -8.369 1.00 11.25 H new ATOM 0 HG3 GLN A 59 7.990 8.755 -8.446 1.00 11.25 H new ATOM 0 HE21 GLN A 59 7.994 6.223 -9.852 1.00 14.22 H new ATOM 0 HE22 GLN A 59 7.954 6.630 -11.571 1.00 14.22 H new ATOM 989 N GLU A 60 11.051 11.905 -6.767 1.00 54.11 N ATOM 990 CA GLU A 60 12.010 12.938 -6.338 1.00 24.22 C ATOM 991 C GLU A 60 12.436 12.603 -4.916 1.00 63.24 C ATOM 992 O GLU A 60 13.622 12.609 -4.567 1.00 14.53 O ATOM 993 CB GLU A 60 11.346 14.328 -6.293 1.00 42.34 C ATOM 994 CG GLU A 60 10.662 14.789 -7.567 1.00 35.14 C ATOM 995 CD GLU A 60 11.562 14.828 -8.757 1.00 62.25 C ATOM 996 OE1 GLU A 60 12.480 15.651 -8.787 1.00 35.04 O ATOM 997 OE2 GLU A 60 11.355 14.042 -9.693 1.00 54.41 O ATOM 0 H GLU A 60 10.125 12.267 -6.994 1.00 54.11 H new ATOM 0 HA GLU A 60 12.845 12.958 -7.038 1.00 24.22 H new ATOM 0 HB2 GLU A 60 10.609 14.329 -5.490 1.00 42.34 H new ATOM 0 HB3 GLU A 60 12.107 15.062 -6.029 1.00 42.34 H new ATOM 0 HG2 GLU A 60 9.824 14.124 -7.779 1.00 35.14 H new ATOM 0 HG3 GLU A 60 10.247 15.784 -7.405 1.00 35.14 H new ATOM 1004 N TYR A 61 11.426 12.313 -4.101 1.00 40.31 N ATOM 1005 CA TYR A 61 11.592 11.908 -2.729 1.00 4.22 C ATOM 1006 C TYR A 61 12.487 10.677 -2.628 1.00 12.51 C ATOM 1007 O TYR A 61 13.419 10.668 -1.851 1.00 31.13 O ATOM 1008 CB TYR A 61 10.207 11.679 -2.077 1.00 34.44 C ATOM 1009 CG TYR A 61 10.240 11.014 -0.724 1.00 61.10 C ATOM 1010 CD1 TYR A 61 10.845 11.623 0.366 1.00 41.21 C ATOM 1011 CD2 TYR A 61 9.685 9.752 -0.552 1.00 31.03 C ATOM 1012 CE1 TYR A 61 10.891 10.995 1.591 1.00 71.01 C ATOM 1013 CE2 TYR A 61 9.729 9.113 0.656 1.00 71.11 C ATOM 1014 CZ TYR A 61 10.338 9.742 1.736 1.00 71.24 C ATOM 1015 OH TYR A 61 10.393 9.110 2.962 1.00 13.12 O ATOM 0 H TYR A 61 10.450 12.357 -4.394 1.00 40.31 H new ATOM 0 HA TYR A 61 12.093 12.705 -2.179 1.00 4.22 H new ATOM 0 HB2 TYR A 61 9.705 12.641 -1.980 1.00 34.44 H new ATOM 0 HB3 TYR A 61 9.602 11.070 -2.749 1.00 34.44 H new ATOM 0 HD1 TYR A 61 11.286 12.602 0.252 1.00 41.21 H new ATOM 0 HD2 TYR A 61 9.209 9.265 -1.390 1.00 31.03 H new ATOM 0 HE1 TYR A 61 11.358 11.483 2.434 1.00 71.01 H new ATOM 0 HE2 TYR A 61 9.295 8.130 0.770 1.00 71.11 H new ATOM 0 HH TYR A 61 10.391 9.781 3.676 1.00 13.12 H new ATOM 1025 N LEU A 62 12.203 9.664 -3.433 1.00 35.04 N ATOM 1026 CA LEU A 62 12.997 8.436 -3.461 1.00 64.23 C ATOM 1027 C LEU A 62 14.439 8.734 -3.806 1.00 12.02 C ATOM 1028 O LEU A 62 15.351 8.304 -3.098 1.00 51.31 O ATOM 1029 CB LEU A 62 12.411 7.436 -4.453 1.00 72.01 C ATOM 1030 CG LEU A 62 11.001 6.947 -4.151 1.00 43.31 C ATOM 1031 CD1 LEU A 62 10.518 6.004 -5.231 1.00 33.11 C ATOM 1032 CD2 LEU A 62 10.955 6.282 -2.788 1.00 13.03 C ATOM 0 H LEU A 62 11.419 9.666 -4.085 1.00 35.04 H new ATOM 0 HA LEU A 62 12.966 7.994 -2.465 1.00 64.23 H new ATOM 0 HB2 LEU A 62 12.412 7.893 -5.443 1.00 72.01 H new ATOM 0 HB3 LEU A 62 13.072 6.571 -4.500 1.00 72.01 H new ATOM 0 HG LEU A 62 10.331 7.807 -4.135 1.00 43.31 H new ATOM 0 HD11 LEU A 62 9.509 5.667 -4.995 1.00 33.11 H new ATOM 0 HD12 LEU A 62 10.513 6.522 -6.190 1.00 33.11 H new ATOM 0 HD13 LEU A 62 11.184 5.143 -5.287 1.00 33.11 H new ATOM 0 HD21 LEU A 62 9.941 5.937 -2.585 1.00 13.03 H new ATOM 0 HD22 LEU A 62 11.637 5.432 -2.775 1.00 13.03 H new ATOM 0 HD23 LEU A 62 11.254 6.999 -2.023 1.00 13.03 H new ATOM 1044 N GLU A 63 14.635 9.498 -4.871 1.00 25.33 N ATOM 1045 CA GLU A 63 15.973 9.923 -5.301 1.00 74.21 C ATOM 1046 C GLU A 63 16.756 10.555 -4.163 1.00 52.00 C ATOM 1047 O GLU A 63 17.903 10.235 -3.944 1.00 62.12 O ATOM 1048 CB GLU A 63 15.887 10.923 -6.464 1.00 32.31 C ATOM 1049 CG GLU A 63 15.413 10.336 -7.777 1.00 51.21 C ATOM 1050 CD GLU A 63 16.376 9.317 -8.317 1.00 45.12 C ATOM 1051 OE1 GLU A 63 17.333 9.705 -9.014 1.00 4.32 O ATOM 1052 OE2 GLU A 63 16.207 8.114 -8.051 1.00 74.30 O ATOM 0 H GLU A 63 13.880 9.843 -5.463 1.00 25.33 H new ATOM 0 HA GLU A 63 16.495 9.025 -5.630 1.00 74.21 H new ATOM 0 HB2 GLU A 63 15.213 11.731 -6.180 1.00 32.31 H new ATOM 0 HB3 GLU A 63 16.871 11.367 -6.616 1.00 32.31 H new ATOM 0 HG2 GLU A 63 14.436 9.873 -7.636 1.00 51.21 H new ATOM 0 HG3 GLU A 63 15.284 11.136 -8.506 1.00 51.21 H new ATOM 1059 N LYS A 64 16.117 11.417 -3.426 1.00 25.20 N ATOM 1060 CA LYS A 64 16.780 12.155 -2.378 1.00 45.13 C ATOM 1061 C LYS A 64 16.657 11.517 -1.003 1.00 64.52 C ATOM 1062 O LYS A 64 17.076 12.100 0.007 1.00 2.42 O ATOM 1063 CB LYS A 64 16.273 13.546 -2.387 1.00 62.11 C ATOM 1064 CG LYS A 64 16.594 14.213 -3.696 1.00 21.22 C ATOM 1065 CD LYS A 64 16.128 15.602 -3.710 1.00 32.03 C ATOM 1066 CE LYS A 64 16.446 16.268 -5.034 1.00 24.41 C ATOM 1067 NZ LYS A 64 15.912 17.640 -5.112 1.00 44.30 N ATOM 0 H LYS A 64 15.125 11.631 -3.530 1.00 25.20 H new ATOM 0 HA LYS A 64 17.850 12.145 -2.586 1.00 45.13 H new ATOM 0 HB2 LYS A 64 15.195 13.548 -2.225 1.00 62.11 H new ATOM 0 HB3 LYS A 64 16.719 14.108 -1.566 1.00 62.11 H new ATOM 0 HG2 LYS A 64 17.670 14.186 -3.867 1.00 21.22 H new ATOM 0 HG3 LYS A 64 16.127 13.662 -4.512 1.00 21.22 H new ATOM 0 HD2 LYS A 64 15.053 15.630 -3.533 1.00 32.03 H new ATOM 0 HD3 LYS A 64 16.599 16.156 -2.898 1.00 32.03 H new ATOM 0 HE2 LYS A 64 17.526 16.292 -5.176 1.00 24.41 H new ATOM 0 HE3 LYS A 64 16.031 15.672 -5.847 1.00 24.41 H new ATOM 0 HZ1 LYS A 64 16.154 18.055 -6.034 1.00 44.30 H new ATOM 0 HZ2 LYS A 64 14.878 17.617 -5.003 1.00 44.30 H new ATOM 0 HZ3 LYS A 64 16.327 18.218 -4.353 1.00 44.30 H new ATOM 1081 N ALA A 65 16.073 10.343 -0.953 1.00 51.44 N ATOM 1082 CA ALA A 65 16.002 9.579 0.281 1.00 4.11 C ATOM 1083 C ALA A 65 17.004 8.462 0.209 1.00 34.01 C ATOM 1084 O ALA A 65 17.662 8.114 1.201 1.00 11.02 O ATOM 1085 CB ALA A 65 14.605 9.008 0.495 1.00 33.24 C ATOM 0 H ALA A 65 15.636 9.889 -1.755 1.00 51.44 H new ATOM 0 HA ALA A 65 16.225 10.237 1.121 1.00 4.11 H new ATOM 0 HB1 ALA A 65 14.582 8.441 1.426 1.00 33.24 H new ATOM 0 HB2 ALA A 65 13.883 9.823 0.548 1.00 33.24 H new ATOM 0 HB3 ALA A 65 14.349 8.351 -0.336 1.00 33.24 H new ATOM 1091 N LEU A 66 17.126 7.910 -0.976 1.00 72.31 N ATOM 1092 CA LEU A 66 18.027 6.818 -1.226 1.00 23.05 C ATOM 1093 C LEU A 66 19.402 7.359 -1.577 1.00 64.30 C ATOM 1094 O LEU A 66 20.407 6.917 -1.035 1.00 11.12 O ATOM 1095 CB LEU A 66 17.473 5.919 -2.334 1.00 72.34 C ATOM 1096 CG LEU A 66 16.060 5.353 -2.077 1.00 22.15 C ATOM 1097 CD1 LEU A 66 15.594 4.491 -3.231 1.00 65.21 C ATOM 1098 CD2 LEU A 66 15.999 4.582 -0.762 1.00 53.31 C ATOM 0 H LEU A 66 16.598 8.210 -1.796 1.00 72.31 H new ATOM 0 HA LEU A 66 18.123 6.210 -0.327 1.00 23.05 H new ATOM 0 HB2 LEU A 66 17.456 6.486 -3.265 1.00 72.34 H new ATOM 0 HB3 LEU A 66 18.160 5.085 -2.481 1.00 72.34 H new ATOM 0 HG LEU A 66 15.380 6.201 -1.997 1.00 22.15 H new ATOM 0 HD11 LEU A 66 14.596 4.108 -3.019 1.00 65.21 H new ATOM 0 HD12 LEU A 66 15.568 5.087 -4.143 1.00 65.21 H new ATOM 0 HD13 LEU A 66 16.283 3.656 -3.363 1.00 65.21 H new ATOM 0 HD21 LEU A 66 14.990 4.197 -0.612 1.00 53.31 H new ATOM 0 HD22 LEU A 66 16.703 3.751 -0.795 1.00 53.31 H new ATOM 0 HD23 LEU A 66 16.260 5.246 0.062 1.00 53.31 H new ATOM 1110 N ASN A 67 19.450 8.329 -2.464 1.00 44.13 N ATOM 1111 CA ASN A 67 20.702 8.982 -2.779 1.00 44.55 C ATOM 1112 C ASN A 67 20.860 10.199 -1.897 1.00 14.34 C ATOM 1113 O ASN A 67 20.458 11.316 -2.253 1.00 23.22 O ATOM 1114 CB ASN A 67 20.828 9.354 -4.269 1.00 25.44 C ATOM 1115 CG ASN A 67 22.114 10.119 -4.599 1.00 30.42 C ATOM 1116 OD1 ASN A 67 23.154 9.934 -3.966 1.00 44.21 O ATOM 1117 ND2 ASN A 67 22.055 10.977 -5.588 1.00 33.31 N ATOM 0 H ASN A 67 18.642 8.681 -2.977 1.00 44.13 H new ATOM 0 HA ASN A 67 21.508 8.275 -2.582 1.00 44.55 H new ATOM 0 HB2 ASN A 67 20.792 8.444 -4.867 1.00 25.44 H new ATOM 0 HB3 ASN A 67 19.969 9.960 -4.558 1.00 25.44 H new ATOM 0 HD21 ASN A 67 22.884 11.511 -5.850 1.00 33.31 H new ATOM 0 HD22 ASN A 67 21.180 11.111 -6.096 1.00 33.31 H new ATOM 1124 N LYS A 68 21.342 9.944 -0.716 1.00 61.51 N ATOM 1125 CA LYS A 68 21.618 10.926 0.282 1.00 61.51 C ATOM 1126 C LYS A 68 22.373 10.169 1.346 1.00 11.12 C ATOM 1127 O LYS A 68 21.742 9.628 2.263 1.00 38.16 O ATOM 1128 CB LYS A 68 20.290 11.505 0.849 1.00 31.31 C ATOM 1129 CG LYS A 68 20.342 12.857 1.648 1.00 0.23 C ATOM 1130 CD LYS A 68 21.125 12.844 2.987 1.00 33.35 C ATOM 1131 CE LYS A 68 22.645 12.905 2.817 1.00 61.22 C ATOM 1132 NZ LYS A 68 23.354 12.800 4.113 1.00 20.35 N ATOM 1133 OXT LYS A 68 23.596 10.067 1.239 1.00 38.16 O ATOM 0 H LYS A 68 21.563 8.996 -0.411 1.00 61.51 H new ATOM 0 HA LYS A 68 22.185 11.774 -0.102 1.00 61.51 H new ATOM 0 HB2 LYS A 68 19.604 11.640 0.013 1.00 31.31 H new ATOM 0 HB3 LYS A 68 19.852 10.751 1.502 1.00 31.31 H new ATOM 0 HG2 LYS A 68 20.783 13.617 1.003 1.00 0.23 H new ATOM 0 HG3 LYS A 68 19.319 13.170 1.855 1.00 0.23 H new ATOM 0 HD2 LYS A 68 20.803 13.691 3.593 1.00 33.35 H new ATOM 0 HD3 LYS A 68 20.867 11.940 3.539 1.00 33.35 H new ATOM 0 HE2 LYS A 68 22.969 12.097 2.160 1.00 61.22 H new ATOM 0 HE3 LYS A 68 22.918 13.841 2.330 1.00 61.22 H new ATOM 0 HZ1 LYS A 68 24.380 12.846 3.952 1.00 20.35 H new ATOM 0 HZ2 LYS A 68 23.065 13.585 4.731 1.00 20.35 H new ATOM 0 HZ3 LYS A 68 23.115 11.896 4.567 1.00 20.35 H new TER 1147 LYS A 68