USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 750 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 87 ASN : amide:sc= 0.173 X(o=-1.7,f=-1.9) USER MOD Set 1.2: A 90 ASN : amide:sc= -1.86 X(o=-1.7,f=-1.7) USER MOD Single : A 1 GLU N :NH3+ -124:sc= 0.358 (180deg=0.0879) USER MOD Single : A 2 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.114) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0136 USER MOD Single : A 13 ASN : amide:sc= -0.723 X(o=-0.72,f=-0.64) USER MOD Single : A 14 MET CE :methyl -135:sc= -0.171 (180deg=-0.547) USER MOD Single : A 15 LYS NZ :NH3+ -118:sc= -3.9! (180deg=-8.18!) USER MOD Single : A 17 TYR OH : rot -147:sc= -1.71 USER MOD Single : A 19 ASN : amide:sc= -0.0018 X(o=-0.0018,f=-0.0018) USER MOD Single : A 25 HIS : no HD1:sc= -0.0488 X(o=-0.049,f=-0.04) USER MOD Single : A 27 SER OG : rot 53:sc= -0.564 USER MOD Single : A 29 ASN : amide:sc= -0.253 X(o=-0.25,f=-0.051) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 41 ASN : amide:sc= -4.05! C(o=-4!,f=-12!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -140:sc= -0.784 USER MOD Single : A 54 LYS NZ :NH3+ -120:sc= -0.0144 (180deg=-0.791) USER MOD Single : A 56 ASN : amide:sc= -0.195 X(o=-0.19,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= -0.749 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.0259 X(o=-0.026,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.048) USER MOD Single : A 66 THR OG1 : rot -5:sc= 1.51 USER MOD Single : A 67 ASN : amide:sc= -1.35 K(o=-1.3,f=-2.6) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.259 USER MOD Single : A 72 THR OG1 : rot 170:sc= -0.371 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.00391 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 60:sc= -1.18 USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.018 X(o=-0.018,f=-0.44) USER MOD Single : A 82 SER OG : rot 130:sc= -0.0811 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -16.017 1.146 -16.657 1.00 0.00 N ATOM 2 CA GLU A 1 -16.126 -0.139 -17.405 1.00 0.00 C ATOM 3 C GLU A 1 -15.565 -1.319 -16.596 1.00 0.00 C ATOM 4 O GLU A 1 -14.681 -2.041 -17.063 1.00 0.00 O ATOM 5 CB GLU A 1 -15.380 0.012 -18.741 1.00 0.00 C ATOM 6 CG GLU A 1 -13.883 0.265 -18.593 1.00 0.00 C ATOM 7 CD GLU A 1 -13.514 1.726 -18.761 1.00 0.00 C ATOM 8 OE1 GLU A 1 -13.687 2.497 -17.793 1.00 0.00 O ATOM 9 OE2 GLU A 1 -13.053 2.099 -19.859 1.00 0.00 O ATOM 0 H1 GLU A 1 -16.957 1.583 -16.579 1.00 0.00 H new ATOM 0 H2 GLU A 1 -15.640 0.963 -15.705 1.00 0.00 H new ATOM 0 H3 GLU A 1 -15.377 1.790 -17.164 1.00 0.00 H new ATOM 0 HA GLU A 1 -17.178 -0.358 -17.587 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -15.528 -0.892 -19.332 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -15.823 0.835 -19.301 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -13.557 -0.077 -17.611 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -13.344 -0.328 -19.332 1.00 0.00 H new ATOM 16 N LYS A 2 -16.091 -1.511 -15.382 1.00 0.00 N ATOM 17 CA LYS A 2 -15.648 -2.604 -14.512 1.00 0.00 C ATOM 18 C LYS A 2 -16.563 -2.749 -13.290 1.00 0.00 C ATOM 19 O LYS A 2 -17.204 -1.782 -12.870 1.00 0.00 O ATOM 20 CB LYS A 2 -14.201 -2.374 -14.054 1.00 0.00 C ATOM 21 CG LYS A 2 -13.988 -1.049 -13.332 1.00 0.00 C ATOM 22 CD LYS A 2 -14.117 -1.205 -11.823 1.00 0.00 C ATOM 23 CE LYS A 2 -13.276 -0.179 -11.078 1.00 0.00 C ATOM 24 NZ LYS A 2 -14.026 1.082 -10.824 1.00 0.00 N ATOM 0 H LYS A 2 -16.823 -0.925 -14.981 1.00 0.00 H new ATOM 0 HA LYS A 2 -15.698 -3.527 -15.090 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.905 -3.189 -13.393 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.544 -2.413 -14.923 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -13.000 -0.657 -13.575 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.717 -0.320 -13.686 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -15.162 -1.098 -11.534 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.808 -2.209 -11.533 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.946 -0.602 -10.129 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.379 0.043 -11.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.367 1.819 -10.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.491 1.392 -11.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.745 0.917 -10.091 1.00 0.00 H new ATOM 38 N LYS A 3 -16.609 -3.960 -12.723 1.00 0.00 N ATOM 39 CA LYS A 3 -17.438 -4.234 -11.544 1.00 0.00 C ATOM 40 C LYS A 3 -17.053 -5.564 -10.877 1.00 0.00 C ATOM 41 O LYS A 3 -17.917 -6.296 -10.391 1.00 0.00 O ATOM 42 CB LYS A 3 -18.923 -4.244 -11.927 1.00 0.00 C ATOM 43 CG LYS A 3 -19.807 -3.459 -10.967 1.00 0.00 C ATOM 44 CD LYS A 3 -20.985 -4.290 -10.478 1.00 0.00 C ATOM 45 CE LYS A 3 -22.315 -3.631 -10.819 1.00 0.00 C ATOM 46 NZ LYS A 3 -22.705 -3.860 -12.239 1.00 0.00 N ATOM 0 H LYS A 3 -16.082 -4.765 -13.061 1.00 0.00 H new ATOM 0 HA LYS A 3 -17.260 -3.436 -10.823 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -19.034 -3.831 -12.930 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -19.272 -5.276 -11.967 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -19.215 -3.130 -10.113 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -20.176 -2.562 -11.464 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -20.943 -5.282 -10.928 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -20.912 -4.427 -9.399 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -23.092 -4.022 -10.162 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -22.247 -2.560 -10.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -23.616 -3.395 -12.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -21.977 -3.464 -12.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -22.795 -4.881 -12.414 1.00 0.00 H new ATOM 60 N GLU A 4 -15.748 -5.856 -10.844 1.00 0.00 N ATOM 61 CA GLU A 4 -15.227 -7.082 -10.227 1.00 0.00 C ATOM 62 C GLU A 4 -15.762 -8.341 -10.917 1.00 0.00 C ATOM 63 O GLU A 4 -16.878 -8.788 -10.647 1.00 0.00 O ATOM 64 CB GLU A 4 -15.555 -7.115 -8.727 1.00 0.00 C ATOM 65 CG GLU A 4 -15.403 -5.767 -8.026 1.00 0.00 C ATOM 66 CD GLU A 4 -13.955 -5.332 -7.855 1.00 0.00 C ATOM 67 OE1 GLU A 4 -13.110 -5.703 -8.698 1.00 0.00 O ATOM 68 OE2 GLU A 4 -13.665 -4.615 -6.875 1.00 0.00 O ATOM 0 H GLU A 4 -15.027 -5.254 -11.241 1.00 0.00 H new ATOM 0 HA GLU A 4 -14.144 -7.072 -10.352 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -16.579 -7.466 -8.597 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.905 -7.841 -8.240 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.937 -5.007 -8.597 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -15.876 -5.821 -7.046 1.00 0.00 H new ATOM 75 N GLN A 5 -14.946 -8.911 -11.809 1.00 0.00 N ATOM 76 CA GLN A 5 -15.324 -10.120 -12.543 1.00 0.00 C ATOM 77 C GLN A 5 -14.577 -11.353 -12.016 1.00 0.00 C ATOM 78 O GLN A 5 -14.243 -12.260 -12.781 1.00 0.00 O ATOM 79 CB GLN A 5 -15.043 -9.935 -14.041 1.00 0.00 C ATOM 80 CG GLN A 5 -16.270 -9.538 -14.847 1.00 0.00 C ATOM 81 CD GLN A 5 -16.924 -8.266 -14.340 1.00 0.00 C ATOM 82 OE1 GLN A 5 -17.788 -8.308 -13.464 1.00 0.00 O ATOM 83 NE2 GLN A 5 -16.514 -7.126 -14.885 1.00 0.00 N ATOM 0 H GLN A 5 -14.019 -8.553 -12.039 1.00 0.00 H new ATOM 0 HA GLN A 5 -16.391 -10.284 -12.392 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -14.274 -9.173 -14.166 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -14.639 -10.864 -14.444 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -15.985 -9.403 -15.890 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -16.996 -10.350 -14.818 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -15.795 -7.136 -15.609 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -16.918 -6.241 -14.580 1.00 0.00 H new ATOM 92 N VAL A 6 -14.330 -11.386 -10.704 1.00 0.00 N ATOM 93 CA VAL A 6 -13.635 -12.511 -10.082 1.00 0.00 C ATOM 94 C VAL A 6 -14.557 -13.241 -9.105 1.00 0.00 C ATOM 95 O VAL A 6 -15.135 -12.623 -8.210 1.00 0.00 O ATOM 96 CB VAL A 6 -12.364 -12.057 -9.328 1.00 0.00 C ATOM 97 CG1 VAL A 6 -11.562 -13.260 -8.856 1.00 0.00 C ATOM 98 CG2 VAL A 6 -11.504 -11.152 -10.204 1.00 0.00 C ATOM 0 H VAL A 6 -14.601 -10.647 -10.055 1.00 0.00 H new ATOM 0 HA VAL A 6 -13.340 -13.184 -10.887 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.677 -11.486 -8.454 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.672 -12.919 -8.328 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -12.173 -13.864 -8.185 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.266 -13.860 -9.716 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -10.616 -10.847 -9.650 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -11.204 -11.693 -11.101 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -12.077 -10.269 -10.487 1.00 0.00 H new ATOM 108 N SER A 7 -14.692 -14.558 -9.282 1.00 0.00 N ATOM 109 CA SER A 7 -15.547 -15.363 -8.412 1.00 0.00 C ATOM 110 C SER A 7 -14.932 -15.508 -7.021 1.00 0.00 C ATOM 111 O SER A 7 -13.802 -15.979 -6.879 1.00 0.00 O ATOM 112 CB SER A 7 -15.792 -16.748 -9.021 1.00 0.00 C ATOM 113 OG SER A 7 -16.951 -17.352 -8.466 1.00 0.00 O ATOM 0 H SER A 7 -14.222 -15.086 -10.017 1.00 0.00 H new ATOM 0 HA SER A 7 -16.502 -14.846 -8.317 1.00 0.00 H new ATOM 0 HB2 SER A 7 -15.906 -16.659 -10.101 1.00 0.00 H new ATOM 0 HB3 SER A 7 -14.926 -17.385 -8.844 1.00 0.00 H new ATOM 0 HG SER A 7 -17.087 -18.234 -8.872 1.00 0.00 H new ATOM 119 N GLY A 8 -15.686 -15.098 -6.002 1.00 0.00 N ATOM 120 CA GLY A 8 -15.207 -15.185 -4.633 1.00 0.00 C ATOM 121 C GLY A 8 -14.450 -13.940 -4.201 1.00 0.00 C ATOM 122 O GLY A 8 -14.593 -12.882 -4.816 1.00 0.00 O ATOM 0 H GLY A 8 -16.622 -14.706 -6.102 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -16.054 -15.342 -3.965 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -14.557 -16.054 -4.533 1.00 0.00 H new ATOM 126 N PRO A 9 -13.628 -14.036 -3.136 1.00 0.00 N ATOM 127 CA PRO A 9 -12.849 -12.897 -2.632 1.00 0.00 C ATOM 128 C PRO A 9 -11.719 -12.495 -3.581 1.00 0.00 C ATOM 129 O PRO A 9 -10.795 -13.274 -3.821 1.00 0.00 O ATOM 130 CB PRO A 9 -12.276 -13.411 -1.309 1.00 0.00 C ATOM 131 CG PRO A 9 -12.229 -14.893 -1.463 1.00 0.00 C ATOM 132 CD PRO A 9 -13.398 -15.258 -2.339 1.00 0.00 C ATOM 0 HA PRO A 9 -13.463 -12.003 -2.527 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -11.283 -13.001 -1.122 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -12.904 -13.121 -0.467 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -11.289 -15.208 -1.916 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.298 -15.388 -0.494 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -13.171 -16.114 -2.974 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -14.275 -15.523 -1.748 1.00 0.00 H new ATOM 140 N PRO A 10 -11.780 -11.266 -4.139 1.00 0.00 N ATOM 141 CA PRO A 10 -10.755 -10.767 -5.067 1.00 0.00 C ATOM 142 C PRO A 10 -9.381 -10.626 -4.403 1.00 0.00 C ATOM 143 O PRO A 10 -8.382 -11.128 -4.921 1.00 0.00 O ATOM 144 CB PRO A 10 -11.294 -9.401 -5.508 1.00 0.00 C ATOM 145 CG PRO A 10 -12.269 -9.002 -4.453 1.00 0.00 C ATOM 146 CD PRO A 10 -12.850 -10.277 -3.911 1.00 0.00 C ATOM 0 HA PRO A 10 -10.592 -11.454 -5.897 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.490 -8.671 -5.596 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.775 -9.465 -6.484 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.777 -8.433 -3.664 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -13.050 -8.364 -4.867 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.096 -10.188 -2.853 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.768 -10.552 -4.430 1.00 0.00 H new ATOM 154 N LEU A 11 -9.338 -9.951 -3.250 1.00 0.00 N ATOM 155 CA LEU A 11 -8.089 -9.760 -2.511 1.00 0.00 C ATOM 156 C LEU A 11 -8.279 -10.132 -1.041 1.00 0.00 C ATOM 157 O LEU A 11 -8.004 -11.264 -0.645 1.00 0.00 O ATOM 158 CB LEU A 11 -7.592 -8.315 -2.642 1.00 0.00 C ATOM 159 CG LEU A 11 -6.326 -8.137 -3.481 1.00 0.00 C ATOM 160 CD1 LEU A 11 -6.645 -8.253 -4.965 1.00 0.00 C ATOM 161 CD2 LEU A 11 -5.668 -6.799 -3.173 1.00 0.00 C ATOM 0 H LEU A 11 -10.155 -9.528 -2.809 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.333 -10.417 -2.941 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.387 -7.712 -3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.406 -7.919 -1.643 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.626 -8.931 -3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.731 -8.123 -5.545 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.069 -9.236 -5.170 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.364 -7.483 -5.244 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.768 -6.688 -3.778 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.362 -5.991 -3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.402 -6.759 -2.117 1.00 0.00 H new ATOM 173 N SER A 12 -8.768 -9.177 -0.245 1.00 0.00 N ATOM 174 CA SER A 12 -9.019 -9.394 1.179 1.00 0.00 C ATOM 175 C SER A 12 -7.867 -10.141 1.867 1.00 0.00 C ATOM 176 O SER A 12 -7.923 -11.362 2.044 1.00 0.00 O ATOM 177 CB SER A 12 -10.335 -10.164 1.357 1.00 0.00 C ATOM 178 OG SER A 12 -10.496 -10.616 2.689 1.00 0.00 O ATOM 0 H SER A 12 -8.999 -8.238 -0.569 1.00 0.00 H new ATOM 0 HA SER A 12 -9.094 -8.417 1.656 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.173 -9.522 1.086 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.354 -11.016 0.678 1.00 0.00 H new ATOM 0 HG SER A 12 -11.344 -11.101 2.770 1.00 0.00 H new ATOM 184 N ASN A 13 -6.831 -9.400 2.267 1.00 0.00 N ATOM 185 CA ASN A 13 -5.680 -9.995 2.947 1.00 0.00 C ATOM 186 C ASN A 13 -5.195 -9.107 4.097 1.00 0.00 C ATOM 187 O ASN A 13 -5.489 -9.380 5.262 1.00 0.00 O ATOM 188 CB ASN A 13 -4.537 -10.258 1.953 1.00 0.00 C ATOM 189 CG ASN A 13 -4.934 -11.215 0.842 1.00 0.00 C ATOM 190 OD1 ASN A 13 -4.903 -10.858 -0.335 1.00 0.00 O ATOM 191 ND2 ASN A 13 -5.316 -12.436 1.209 1.00 0.00 N ATOM 0 H ASN A 13 -6.766 -8.391 2.132 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.000 -10.948 3.368 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.217 -9.312 1.515 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.681 -10.666 2.490 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -5.597 -13.116 0.503 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -5.327 -12.692 2.196 1.00 0.00 H new ATOM 198 N MET A 14 -4.456 -8.046 3.764 1.00 0.00 N ATOM 199 CA MET A 14 -3.930 -7.117 4.770 1.00 0.00 C ATOM 200 C MET A 14 -3.250 -5.925 4.097 1.00 0.00 C ATOM 201 O MET A 14 -2.418 -6.100 3.206 1.00 0.00 O ATOM 202 CB MET A 14 -2.937 -7.831 5.695 1.00 0.00 C ATOM 203 CG MET A 14 -3.125 -7.495 7.167 1.00 0.00 C ATOM 204 SD MET A 14 -2.971 -5.730 7.502 1.00 0.00 S ATOM 205 CE MET A 14 -4.676 -5.293 7.834 1.00 0.00 C ATOM 0 H MET A 14 -4.207 -7.808 2.804 1.00 0.00 H new ATOM 0 HA MET A 14 -4.767 -6.753 5.366 1.00 0.00 H new ATOM 0 HB2 MET A 14 -3.039 -8.908 5.561 1.00 0.00 H new ATOM 0 HB3 MET A 14 -1.922 -7.567 5.398 1.00 0.00 H new ATOM 0 HG2 MET A 14 -4.107 -7.838 7.491 1.00 0.00 H new ATOM 0 HG3 MET A 14 -2.387 -8.039 7.757 1.00 0.00 H new ATOM 0 HE1 MET A 14 -4.925 -4.372 7.307 1.00 0.00 H new ATOM 0 HE2 MET A 14 -5.330 -6.095 7.492 1.00 0.00 H new ATOM 0 HE3 MET A 14 -4.812 -5.146 8.905 1.00 0.00 H new ATOM 215 N LYS A 15 -3.610 -4.712 4.521 1.00 0.00 N ATOM 216 CA LYS A 15 -3.033 -3.500 3.949 1.00 0.00 C ATOM 217 C LYS A 15 -2.898 -2.400 5.004 1.00 0.00 C ATOM 218 O LYS A 15 -3.666 -2.347 5.966 1.00 0.00 O ATOM 219 CB LYS A 15 -3.894 -3.020 2.777 1.00 0.00 C ATOM 220 CG LYS A 15 -3.141 -2.145 1.788 1.00 0.00 C ATOM 221 CD LYS A 15 -2.655 -2.945 0.588 1.00 0.00 C ATOM 222 CE LYS A 15 -3.813 -3.369 -0.305 1.00 0.00 C ATOM 223 NZ LYS A 15 -3.442 -3.369 -1.749 1.00 0.00 N ATOM 0 H LYS A 15 -4.297 -4.546 5.257 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.032 -3.732 3.585 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.294 -3.887 2.251 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.746 -2.463 3.167 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.790 -1.337 1.449 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.289 -1.682 2.286 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.950 -2.346 0.012 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.117 -3.828 0.932 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.145 -4.367 -0.017 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.656 -2.695 -0.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.033 -2.682 -2.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.441 -3.107 -1.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.593 -4.318 -2.146 1.00 0.00 H new ATOM 237 N PHE A 16 -1.910 -1.528 4.821 1.00 0.00 N ATOM 238 CA PHE A 16 -1.658 -0.433 5.754 1.00 0.00 C ATOM 239 C PHE A 16 -0.884 0.683 5.054 1.00 0.00 C ATOM 240 O PHE A 16 0.156 0.428 4.454 1.00 0.00 O ATOM 241 CB PHE A 16 -0.886 -0.966 6.966 1.00 0.00 C ATOM 242 CG PHE A 16 -0.540 0.073 7.995 1.00 0.00 C ATOM 243 CD1 PHE A 16 -1.521 0.894 8.532 1.00 0.00 C ATOM 244 CD2 PHE A 16 0.766 0.220 8.439 1.00 0.00 C ATOM 245 CE1 PHE A 16 -1.206 1.839 9.488 1.00 0.00 C ATOM 246 CE2 PHE A 16 1.086 1.165 9.394 1.00 0.00 C ATOM 247 CZ PHE A 16 0.099 1.976 9.920 1.00 0.00 C ATOM 0 H PHE A 16 -1.267 -1.559 4.030 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.605 -0.018 6.100 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.479 -1.747 7.443 1.00 0.00 H new ATOM 0 HB3 PHE A 16 0.035 -1.433 6.617 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.543 0.793 8.198 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.542 -0.412 8.033 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.980 2.471 9.898 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.107 1.270 9.729 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.347 2.715 10.667 1.00 0.00 H new ATOM 257 N TYR A 17 -1.407 1.911 5.107 1.00 0.00 N ATOM 258 CA TYR A 17 -0.762 3.047 4.441 1.00 0.00 C ATOM 259 C TYR A 17 -0.367 4.141 5.432 1.00 0.00 C ATOM 260 O TYR A 17 -1.209 4.908 5.898 1.00 0.00 O ATOM 261 CB TYR A 17 -1.693 3.612 3.365 1.00 0.00 C ATOM 262 CG TYR A 17 -1.561 2.914 2.027 1.00 0.00 C ATOM 263 CD1 TYR A 17 -1.621 1.528 1.937 1.00 0.00 C ATOM 264 CD2 TYR A 17 -1.364 3.639 0.859 1.00 0.00 C ATOM 265 CE1 TYR A 17 -1.490 0.884 0.723 1.00 0.00 C ATOM 266 CE2 TYR A 17 -1.230 3.002 -0.360 1.00 0.00 C ATOM 267 CZ TYR A 17 -1.294 1.625 -0.422 1.00 0.00 C ATOM 268 OH TYR A 17 -1.157 0.987 -1.631 1.00 0.00 O ATOM 0 H TYR A 17 -2.269 2.144 5.600 1.00 0.00 H new ATOM 0 HA TYR A 17 0.156 2.686 3.976 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.724 3.531 3.708 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.483 4.674 3.235 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.773 0.945 2.833 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.315 4.717 0.904 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.541 -0.194 0.671 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.076 3.579 -1.260 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.542 1.494 -2.201 1.00 0.00 H new ATOM 278 N LEU A 18 0.926 4.216 5.737 1.00 0.00 N ATOM 279 CA LEU A 18 1.440 5.219 6.665 1.00 0.00 C ATOM 280 C LEU A 18 2.920 5.503 6.391 1.00 0.00 C ATOM 281 O LEU A 18 3.784 5.182 7.206 1.00 0.00 O ATOM 282 CB LEU A 18 1.242 4.747 8.114 1.00 0.00 C ATOM 283 CG LEU A 18 0.314 5.620 8.966 1.00 0.00 C ATOM 284 CD1 LEU A 18 -1.065 4.991 9.085 1.00 0.00 C ATOM 285 CD2 LEU A 18 0.911 5.845 10.348 1.00 0.00 C ATOM 0 H LEU A 18 1.638 3.593 5.354 1.00 0.00 H new ATOM 0 HA LEU A 18 0.884 6.145 6.518 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.845 3.732 8.097 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.217 4.700 8.600 1.00 0.00 H new ATOM 0 HG LEU A 18 0.209 6.585 8.469 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.705 5.629 9.694 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.502 4.881 8.092 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.979 4.011 9.554 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.238 6.467 10.938 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.048 4.885 10.846 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.875 6.344 10.251 1.00 0.00 H new ATOM 297 N ASN A 19 3.211 6.109 5.237 1.00 0.00 N ATOM 298 CA ASN A 19 4.592 6.429 4.863 1.00 0.00 C ATOM 299 C ASN A 19 5.290 7.230 5.964 1.00 0.00 C ATOM 300 O ASN A 19 4.635 7.837 6.813 1.00 0.00 O ATOM 301 CB ASN A 19 4.627 7.208 3.543 1.00 0.00 C ATOM 302 CG ASN A 19 4.050 6.412 2.385 1.00 0.00 C ATOM 303 OD1 ASN A 19 4.618 5.402 1.970 1.00 0.00 O ATOM 304 ND2 ASN A 19 2.917 6.863 1.857 1.00 0.00 N ATOM 0 H ASN A 19 2.512 6.387 4.548 1.00 0.00 H new ATOM 0 HA ASN A 19 5.127 5.489 4.732 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.067 8.136 3.657 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.657 7.483 3.314 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.485 6.368 1.077 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.479 7.705 2.232 1.00 0.00 H new ATOM 311 N ARG A 20 6.623 7.222 5.946 1.00 0.00 N ATOM 312 CA ARG A 20 7.407 7.947 6.947 1.00 0.00 C ATOM 313 C ARG A 20 8.000 9.233 6.364 1.00 0.00 C ATOM 314 O ARG A 20 7.823 10.314 6.928 1.00 0.00 O ATOM 315 CB ARG A 20 8.526 7.061 7.526 1.00 0.00 C ATOM 316 CG ARG A 20 9.209 6.153 6.510 1.00 0.00 C ATOM 317 CD ARG A 20 8.469 4.834 6.354 1.00 0.00 C ATOM 318 NE ARG A 20 8.876 3.854 7.359 1.00 0.00 N ATOM 319 CZ ARG A 20 9.993 3.127 7.285 1.00 0.00 C ATOM 320 NH1 ARG A 20 10.832 3.282 6.264 1.00 0.00 N ATOM 321 NH2 ARG A 20 10.275 2.246 8.239 1.00 0.00 N ATOM 0 H ARG A 20 7.181 6.724 5.253 1.00 0.00 H new ATOM 0 HA ARG A 20 6.728 8.218 7.756 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.279 7.703 7.983 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.108 6.444 8.321 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.261 6.659 5.546 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.235 5.961 6.824 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.396 5.009 6.433 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.654 4.430 5.359 1.00 0.00 H new ATOM 0 HE ARG A 20 8.269 3.717 8.167 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.624 3.960 5.531 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.684 2.723 6.214 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.638 2.126 9.027 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.128 1.690 8.184 1.00 0.00 H new ATOM 335 N ASP A 21 8.702 9.105 5.230 1.00 0.00 N ATOM 336 CA ASP A 21 9.327 10.253 4.561 1.00 0.00 C ATOM 337 C ASP A 21 10.041 9.815 3.281 1.00 0.00 C ATOM 338 O ASP A 21 9.950 10.482 2.248 1.00 0.00 O ATOM 339 CB ASP A 21 10.331 10.941 5.488 1.00 0.00 C ATOM 340 CG ASP A 21 10.915 12.201 4.877 1.00 0.00 C ATOM 341 OD1 ASP A 21 11.951 12.101 4.186 1.00 0.00 O ATOM 342 OD2 ASP A 21 10.334 13.286 5.084 1.00 0.00 O ATOM 0 H ASP A 21 8.851 8.214 4.756 1.00 0.00 H new ATOM 0 HA ASP A 21 8.534 10.956 4.305 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.840 11.191 6.429 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.138 10.247 5.724 1.00 0.00 H new ATOM 347 N ALA A 22 10.753 8.687 3.365 1.00 0.00 N ATOM 348 CA ALA A 22 11.492 8.145 2.225 1.00 0.00 C ATOM 349 C ALA A 22 10.555 7.885 1.052 1.00 0.00 C ATOM 350 O ALA A 22 10.767 8.394 -0.050 1.00 0.00 O ATOM 351 CB ALA A 22 12.219 6.868 2.626 1.00 0.00 C ATOM 0 H ALA A 22 10.832 8.130 4.216 1.00 0.00 H new ATOM 0 HA ALA A 22 12.233 8.880 1.911 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.765 6.475 1.768 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.919 7.086 3.433 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.494 6.128 2.965 1.00 0.00 H new ATOM 357 N ASP A 23 9.509 7.109 1.308 1.00 0.00 N ATOM 358 CA ASP A 23 8.513 6.794 0.289 1.00 0.00 C ATOM 359 C ASP A 23 7.281 7.693 0.440 1.00 0.00 C ATOM 360 O ASP A 23 6.183 7.338 0.007 1.00 0.00 O ATOM 361 CB ASP A 23 8.105 5.322 0.381 1.00 0.00 C ATOM 362 CG ASP A 23 8.043 4.655 -0.979 1.00 0.00 C ATOM 363 OD1 ASP A 23 7.008 4.795 -1.662 1.00 0.00 O ATOM 364 OD2 ASP A 23 9.032 3.996 -1.362 1.00 0.00 O ATOM 0 H ASP A 23 9.327 6.684 2.217 1.00 0.00 H new ATOM 0 HA ASP A 23 8.956 6.976 -0.690 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.816 4.789 1.012 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.131 5.247 0.865 1.00 0.00 H new ATOM 369 N ALA A 24 7.476 8.861 1.057 1.00 0.00 N ATOM 370 CA ALA A 24 6.390 9.814 1.268 1.00 0.00 C ATOM 371 C ALA A 24 6.193 10.724 0.053 1.00 0.00 C ATOM 372 O ALA A 24 5.112 11.280 -0.141 1.00 0.00 O ATOM 373 CB ALA A 24 6.658 10.646 2.514 1.00 0.00 C ATOM 0 H ALA A 24 8.379 9.168 1.419 1.00 0.00 H new ATOM 0 HA ALA A 24 5.470 9.246 1.407 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.842 11.353 2.662 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.731 9.990 3.381 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.594 11.192 2.393 1.00 0.00 H new ATOM 379 N HIS A 25 7.241 10.873 -0.761 1.00 0.00 N ATOM 380 CA HIS A 25 7.180 11.717 -1.954 1.00 0.00 C ATOM 381 C HIS A 25 6.657 10.946 -3.175 1.00 0.00 C ATOM 382 O HIS A 25 6.697 11.458 -4.297 1.00 0.00 O ATOM 383 CB HIS A 25 8.565 12.295 -2.253 1.00 0.00 C ATOM 384 CG HIS A 25 8.535 13.545 -3.078 1.00 0.00 C ATOM 385 ND1 HIS A 25 8.268 14.790 -2.551 1.00 0.00 N ATOM 386 CD2 HIS A 25 8.750 13.738 -4.401 1.00 0.00 C ATOM 387 CE1 HIS A 25 8.320 15.694 -3.513 1.00 0.00 C ATOM 388 NE2 HIS A 25 8.611 15.082 -4.645 1.00 0.00 N ATOM 0 H HIS A 25 8.143 10.419 -0.614 1.00 0.00 H new ATOM 0 HA HIS A 25 6.480 12.527 -1.752 1.00 0.00 H new ATOM 0 HB2 HIS A 25 9.072 12.505 -1.311 1.00 0.00 H new ATOM 0 HB3 HIS A 25 9.158 11.542 -2.773 1.00 0.00 H new ATOM 0 HD2 HIS A 25 8.987 12.976 -5.129 1.00 0.00 H new ATOM 0 HE1 HIS A 25 8.153 16.754 -3.393 1.00 0.00 H new ATOM 0 HE2 HIS A 25 8.716 15.534 -5.554 1.00 0.00 H new ATOM 397 N ASP A 26 6.163 9.725 -2.959 1.00 0.00 N ATOM 398 CA ASP A 26 5.632 8.908 -4.046 1.00 0.00 C ATOM 399 C ASP A 26 4.103 8.958 -4.077 1.00 0.00 C ATOM 400 O ASP A 26 3.496 8.905 -5.148 1.00 0.00 O ATOM 401 CB ASP A 26 6.104 7.459 -3.907 1.00 0.00 C ATOM 402 CG ASP A 26 6.380 6.808 -5.248 1.00 0.00 C ATOM 403 OD1 ASP A 26 5.433 6.664 -6.049 1.00 0.00 O ATOM 404 OD2 ASP A 26 7.548 6.439 -5.499 1.00 0.00 O ATOM 0 H ASP A 26 6.121 9.283 -2.041 1.00 0.00 H new ATOM 0 HA ASP A 26 6.008 9.316 -4.984 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.009 7.432 -3.300 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.346 6.883 -3.376 1.00 0.00 H new ATOM 409 N SER A 27 3.486 9.058 -2.896 1.00 0.00 N ATOM 410 CA SER A 27 2.029 9.111 -2.786 1.00 0.00 C ATOM 411 C SER A 27 1.599 9.508 -1.375 1.00 0.00 C ATOM 412 O SER A 27 2.264 9.155 -0.398 1.00 0.00 O ATOM 413 CB SER A 27 1.425 7.756 -3.151 1.00 0.00 C ATOM 414 OG SER A 27 0.775 7.810 -4.407 1.00 0.00 O ATOM 0 H SER A 27 3.976 9.104 -2.002 1.00 0.00 H new ATOM 0 HA SER A 27 1.664 9.867 -3.481 1.00 0.00 H new ATOM 0 HB2 SER A 27 2.209 7.000 -3.176 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.714 7.452 -2.383 1.00 0.00 H new ATOM 0 HG SER A 27 1.391 8.170 -5.079 1.00 0.00 H new ATOM 420 N LEU A 28 0.487 10.240 -1.266 1.00 0.00 N ATOM 421 CA LEU A 28 -0.012 10.678 0.039 1.00 0.00 C ATOM 422 C LEU A 28 -1.543 10.680 0.095 1.00 0.00 C ATOM 423 O LEU A 28 -2.147 9.782 0.682 1.00 0.00 O ATOM 424 CB LEU A 28 0.528 12.072 0.383 1.00 0.00 C ATOM 425 CG LEU A 28 2.052 12.216 0.338 1.00 0.00 C ATOM 426 CD1 LEU A 28 2.506 12.644 -1.051 1.00 0.00 C ATOM 427 CD2 LEU A 28 2.525 13.212 1.386 1.00 0.00 C ATOM 0 H LEU A 28 -0.080 10.540 -2.059 1.00 0.00 H new ATOM 0 HA LEU A 28 0.347 9.962 0.778 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.091 12.793 -0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.184 12.340 1.382 1.00 0.00 H new ATOM 0 HG LEU A 28 2.497 11.246 0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.592 12.742 -1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.200 11.895 -1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.052 13.603 -1.303 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.610 13.301 1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.072 14.185 1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.232 12.865 2.377 1.00 0.00 H new ATOM 439 N ASN A 29 -2.166 11.694 -0.508 1.00 0.00 N ATOM 440 CA ASN A 29 -3.624 11.809 -0.517 1.00 0.00 C ATOM 441 C ASN A 29 -4.225 11.092 -1.727 1.00 0.00 C ATOM 442 O ASN A 29 -5.307 10.512 -1.637 1.00 0.00 O ATOM 443 CB ASN A 29 -4.051 13.281 -0.512 1.00 0.00 C ATOM 444 CG ASN A 29 -5.124 13.573 0.520 1.00 0.00 C ATOM 445 OD1 ASN A 29 -6.163 14.153 0.203 1.00 0.00 O ATOM 446 ND2 ASN A 29 -4.875 13.179 1.763 1.00 0.00 N ATOM 0 H ASN A 29 -1.683 12.448 -0.997 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.000 11.331 0.387 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.181 13.907 -0.314 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.420 13.552 -1.501 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -5.558 13.354 2.500 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.000 12.701 1.981 1.00 0.00 H new ATOM 453 N ASP A 30 -3.514 11.136 -2.855 1.00 0.00 N ATOM 454 CA ASP A 30 -3.970 10.489 -4.088 1.00 0.00 C ATOM 455 C ASP A 30 -4.268 9.005 -3.860 1.00 0.00 C ATOM 456 O ASP A 30 -5.194 8.454 -4.457 1.00 0.00 O ATOM 457 CB ASP A 30 -2.929 10.642 -5.211 1.00 0.00 C ATOM 458 CG ASP A 30 -1.490 10.405 -4.767 1.00 0.00 C ATOM 459 OD1 ASP A 30 -1.266 9.943 -3.625 1.00 0.00 O ATOM 460 OD2 ASP A 30 -0.578 10.681 -5.572 1.00 0.00 O ATOM 0 H ASP A 30 -2.617 11.614 -2.941 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.891 10.987 -4.391 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.170 9.943 -6.012 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.008 11.645 -5.629 1.00 0.00 H new ATOM 465 N ILE A 31 -3.479 8.366 -2.994 1.00 0.00 N ATOM 466 CA ILE A 31 -3.667 6.944 -2.691 1.00 0.00 C ATOM 467 C ILE A 31 -4.967 6.702 -1.932 1.00 0.00 C ATOM 468 O ILE A 31 -5.559 5.636 -2.046 1.00 0.00 O ATOM 469 CB ILE A 31 -2.501 6.356 -1.870 1.00 0.00 C ATOM 470 CG1 ILE A 31 -2.205 7.229 -0.645 1.00 0.00 C ATOM 471 CG2 ILE A 31 -1.271 6.200 -2.748 1.00 0.00 C ATOM 472 CD1 ILE A 31 -0.903 6.895 0.051 1.00 0.00 C ATOM 0 H ILE A 31 -2.708 8.807 -2.492 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.704 6.440 -3.657 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.788 5.369 -1.508 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.182 8.274 -0.954 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.023 7.125 0.068 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.454 5.784 -2.159 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.498 5.530 -3.577 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.977 7.174 -3.139 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.768 7.557 0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.928 5.860 0.393 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.074 7.027 -0.645 1.00 0.00 H new ATOM 484 N ASP A 32 -5.414 7.695 -1.168 1.00 0.00 N ATOM 485 CA ASP A 32 -6.652 7.575 -0.403 1.00 0.00 C ATOM 486 C ASP A 32 -7.830 7.288 -1.329 1.00 0.00 C ATOM 487 O ASP A 32 -8.773 6.590 -0.955 1.00 0.00 O ATOM 488 CB ASP A 32 -6.912 8.857 0.386 1.00 0.00 C ATOM 489 CG ASP A 32 -7.981 8.678 1.445 1.00 0.00 C ATOM 490 OD1 ASP A 32 -9.177 8.783 1.105 1.00 0.00 O ATOM 491 OD2 ASP A 32 -7.622 8.432 2.614 1.00 0.00 O ATOM 0 H ASP A 32 -4.938 8.591 -1.062 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.545 6.744 0.294 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -5.986 9.183 0.860 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.214 9.648 -0.301 1.00 0.00 H new ATOM 496 N GLN A 33 -7.769 7.840 -2.539 1.00 0.00 N ATOM 497 CA GLN A 33 -8.826 7.655 -3.523 1.00 0.00 C ATOM 498 C GLN A 33 -8.670 6.332 -4.272 1.00 0.00 C ATOM 499 O GLN A 33 -9.639 5.591 -4.436 1.00 0.00 O ATOM 500 CB GLN A 33 -8.834 8.826 -4.507 1.00 0.00 C ATOM 501 CG GLN A 33 -10.041 8.845 -5.428 1.00 0.00 C ATOM 502 CD GLN A 33 -9.765 9.576 -6.728 1.00 0.00 C ATOM 503 OE1 GLN A 33 -9.185 10.661 -6.729 1.00 0.00 O ATOM 504 NE2 GLN A 33 -10.182 8.987 -7.842 1.00 0.00 N ATOM 0 H GLN A 33 -6.994 8.421 -2.860 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.778 7.624 -2.993 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.802 9.760 -3.946 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.928 8.786 -5.112 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.343 7.821 -5.647 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.877 9.322 -4.917 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.659 8.087 -7.795 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.025 9.435 -8.745 1.00 0.00 H new ATOM 513 N LEU A 34 -7.450 6.036 -4.720 1.00 0.00 N ATOM 514 CA LEU A 34 -7.186 4.794 -5.448 1.00 0.00 C ATOM 515 C LEU A 34 -7.224 3.587 -4.510 1.00 0.00 C ATOM 516 O LEU A 34 -7.439 2.456 -4.949 1.00 0.00 O ATOM 517 CB LEU A 34 -5.836 4.869 -6.168 1.00 0.00 C ATOM 518 CG LEU A 34 -4.600 4.703 -5.276 1.00 0.00 C ATOM 519 CD1 LEU A 34 -4.223 3.235 -5.149 1.00 0.00 C ATOM 520 CD2 LEU A 34 -3.435 5.504 -5.836 1.00 0.00 C ATOM 0 H LEU A 34 -6.634 6.634 -4.593 1.00 0.00 H new ATOM 0 HA LEU A 34 -7.972 4.668 -6.193 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.812 4.098 -6.939 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.769 5.831 -6.677 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.838 5.082 -4.282 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.344 3.139 -4.512 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.053 2.683 -4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.002 2.829 -6.136 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.564 5.377 -5.193 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.200 5.151 -6.840 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.705 6.559 -5.877 1.00 0.00 H new ATOM 532 N ALA A 35 -7.023 3.836 -3.217 1.00 0.00 N ATOM 533 CA ALA A 35 -7.043 2.772 -2.218 1.00 0.00 C ATOM 534 C ALA A 35 -8.469 2.469 -1.773 1.00 0.00 C ATOM 535 O ALA A 35 -8.759 1.362 -1.326 1.00 0.00 O ATOM 536 CB ALA A 35 -6.179 3.138 -1.022 1.00 0.00 C ATOM 0 H ALA A 35 -6.844 4.766 -2.838 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.631 1.874 -2.678 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.209 2.330 -0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.151 3.293 -1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.557 4.054 -0.567 1.00 0.00 H new ATOM 542 N ARG A 36 -9.363 3.453 -1.915 1.00 0.00 N ATOM 543 CA ARG A 36 -10.768 3.271 -1.543 1.00 0.00 C ATOM 544 C ARG A 36 -11.358 2.057 -2.269 1.00 0.00 C ATOM 545 O ARG A 36 -12.245 1.379 -1.747 1.00 0.00 O ATOM 546 CB ARG A 36 -11.576 4.529 -1.878 1.00 0.00 C ATOM 547 CG ARG A 36 -12.934 4.586 -1.196 1.00 0.00 C ATOM 548 CD ARG A 36 -13.226 5.974 -0.639 1.00 0.00 C ATOM 549 NE ARG A 36 -14.505 6.500 -1.111 1.00 0.00 N ATOM 550 CZ ARG A 36 -15.694 6.137 -0.621 1.00 0.00 C ATOM 551 NH1 ARG A 36 -15.775 5.231 0.353 1.00 0.00 N ATOM 552 NH2 ARG A 36 -16.805 6.677 -1.107 1.00 0.00 N ATOM 0 H ARG A 36 -9.140 4.378 -2.283 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.821 3.097 -0.468 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.998 5.408 -1.591 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.719 4.581 -2.957 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -13.711 4.309 -1.908 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.967 3.855 -0.388 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.232 5.933 0.450 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.426 6.655 -0.928 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.489 7.189 -1.863 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.926 4.810 0.730 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -16.686 4.959 0.722 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.751 7.369 -1.854 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.713 6.400 -0.733 1.00 0.00 H new ATOM 566 N LEU A 37 -10.845 1.787 -3.471 1.00 0.00 N ATOM 567 CA LEU A 37 -11.298 0.654 -4.274 1.00 0.00 C ATOM 568 C LEU A 37 -10.815 -0.667 -3.676 1.00 0.00 C ATOM 569 O LEU A 37 -11.605 -1.588 -3.465 1.00 0.00 O ATOM 570 CB LEU A 37 -10.784 0.793 -5.709 1.00 0.00 C ATOM 571 CG LEU A 37 -11.785 1.378 -6.708 1.00 0.00 C ATOM 572 CD1 LEU A 37 -12.030 2.854 -6.417 1.00 0.00 C ATOM 573 CD2 LEU A 37 -11.286 1.187 -8.134 1.00 0.00 C ATOM 0 H LEU A 37 -10.111 2.343 -3.910 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.388 0.652 -4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.895 1.423 -5.700 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.474 -0.190 -6.063 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.731 0.847 -6.601 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.744 3.253 -7.137 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.430 2.965 -5.409 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -11.091 3.401 -6.496 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -12.009 1.608 -8.832 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.328 1.692 -8.255 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.163 0.123 -8.337 1.00 0.00 H new ATOM 585 N ILE A 38 -9.512 -0.750 -3.402 1.00 0.00 N ATOM 586 CA ILE A 38 -8.919 -1.957 -2.826 1.00 0.00 C ATOM 587 C ILE A 38 -9.309 -2.115 -1.349 1.00 0.00 C ATOM 588 O ILE A 38 -9.267 -3.221 -0.804 1.00 0.00 O ATOM 589 CB ILE A 38 -7.375 -1.953 -2.967 1.00 0.00 C ATOM 590 CG1 ILE A 38 -6.974 -2.069 -4.444 1.00 0.00 C ATOM 591 CG2 ILE A 38 -6.751 -3.087 -2.162 1.00 0.00 C ATOM 592 CD1 ILE A 38 -7.206 -0.808 -5.249 1.00 0.00 C ATOM 0 H ILE A 38 -8.847 0.005 -3.570 1.00 0.00 H new ATOM 0 HA ILE A 38 -9.313 -2.806 -3.385 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.001 -1.008 -2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.919 -2.336 -4.503 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -7.535 -2.886 -4.899 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.667 -3.062 -2.278 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.006 -2.969 -1.109 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.133 -4.042 -2.523 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -6.897 -0.973 -6.281 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.265 -0.550 -5.224 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.623 0.008 -4.822 1.00 0.00 H new ATOM 604 N ARG A 39 -9.713 -1.009 -0.717 1.00 0.00 N ATOM 605 CA ARG A 39 -10.135 -1.027 0.679 1.00 0.00 C ATOM 606 C ARG A 39 -11.505 -1.681 0.798 1.00 0.00 C ATOM 607 O ARG A 39 -11.814 -2.326 1.800 1.00 0.00 O ATOM 608 CB ARG A 39 -10.190 0.401 1.234 1.00 0.00 C ATOM 609 CG ARG A 39 -10.383 0.469 2.741 1.00 0.00 C ATOM 610 CD ARG A 39 -11.856 0.574 3.113 1.00 0.00 C ATOM 611 NE ARG A 39 -12.044 1.090 4.466 1.00 0.00 N ATOM 612 CZ ARG A 39 -11.981 2.385 4.792 1.00 0.00 C ATOM 613 NH1 ARG A 39 -11.703 3.304 3.868 1.00 0.00 N ATOM 614 NH2 ARG A 39 -12.187 2.763 6.050 1.00 0.00 N ATOM 0 H ARG A 39 -9.755 -0.089 -1.155 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.412 -1.602 1.257 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.267 0.918 0.972 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -11.005 0.938 0.749 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.953 -0.419 3.204 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.844 1.329 3.139 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -12.364 1.227 2.403 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -12.321 -0.408 3.032 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.236 0.419 5.210 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -11.536 3.022 2.902 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.657 4.290 4.127 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.393 2.065 6.765 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -12.139 3.751 6.300 1.00 0.00 H new ATOM 628 N ALA A 40 -12.319 -1.521 -0.249 1.00 0.00 N ATOM 629 CA ALA A 40 -13.653 -2.101 -0.286 1.00 0.00 C ATOM 630 C ALA A 40 -13.642 -3.463 -0.991 1.00 0.00 C ATOM 631 O ALA A 40 -14.667 -4.144 -1.058 1.00 0.00 O ATOM 632 CB ALA A 40 -14.622 -1.147 -0.974 1.00 0.00 C ATOM 0 H ALA A 40 -12.070 -0.991 -1.084 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.987 -2.259 0.740 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.617 -1.592 -0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -14.657 -0.206 -0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.286 -0.960 -1.994 1.00 0.00 H new ATOM 638 N ASN A 41 -12.474 -3.854 -1.509 1.00 0.00 N ATOM 639 CA ASN A 41 -12.309 -5.128 -2.206 1.00 0.00 C ATOM 640 C ASN A 41 -12.517 -6.314 -1.260 1.00 0.00 C ATOM 641 O ASN A 41 -12.923 -7.395 -1.691 1.00 0.00 O ATOM 642 CB ASN A 41 -10.906 -5.199 -2.817 1.00 0.00 C ATOM 643 CG ASN A 41 -10.845 -6.070 -4.059 1.00 0.00 C ATOM 644 OD1 ASN A 41 -9.989 -6.945 -4.169 1.00 0.00 O ATOM 645 ND2 ASN A 41 -11.749 -5.836 -5.006 1.00 0.00 N ATOM 0 H ASN A 41 -11.621 -3.297 -1.456 1.00 0.00 H new ATOM 0 HA ASN A 41 -13.062 -5.185 -2.992 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.574 -4.192 -3.069 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.211 -5.587 -2.073 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.748 -6.392 -5.861 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -12.444 -5.100 -4.877 1.00 0.00 H new ATOM 652 N GLY A 42 -12.232 -6.105 0.026 1.00 0.00 N ATOM 653 CA GLY A 42 -12.387 -7.160 1.012 1.00 0.00 C ATOM 654 C GLY A 42 -11.391 -7.048 2.155 1.00 0.00 C ATOM 655 O GLY A 42 -11.675 -7.475 3.275 1.00 0.00 O ATOM 0 H GLY A 42 -11.895 -5.219 0.402 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.400 -7.130 1.414 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.267 -8.127 0.524 1.00 0.00 H new ATOM 659 N GLY A 43 -10.219 -6.469 1.873 1.00 0.00 N ATOM 660 CA GLY A 43 -9.196 -6.311 2.895 1.00 0.00 C ATOM 661 C GLY A 43 -9.411 -5.075 3.746 1.00 0.00 C ATOM 662 O GLY A 43 -10.542 -4.764 4.126 1.00 0.00 O ATOM 0 H GLY A 43 -9.963 -6.108 0.954 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.188 -7.193 3.536 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.217 -6.255 2.419 1.00 0.00 H new ATOM 666 N GLU A 44 -8.324 -4.363 4.048 1.00 0.00 N ATOM 667 CA GLU A 44 -8.401 -3.154 4.858 1.00 0.00 C ATOM 668 C GLU A 44 -7.140 -2.316 4.692 1.00 0.00 C ATOM 669 O GLU A 44 -6.035 -2.793 4.950 1.00 0.00 O ATOM 670 CB GLU A 44 -8.594 -3.510 6.335 1.00 0.00 C ATOM 671 CG GLU A 44 -8.720 -2.297 7.243 1.00 0.00 C ATOM 672 CD GLU A 44 -10.151 -1.818 7.384 1.00 0.00 C ATOM 673 OE1 GLU A 44 -10.655 -1.163 6.444 1.00 0.00 O ATOM 674 OE2 GLU A 44 -10.768 -2.095 8.432 1.00 0.00 O ATOM 0 H GLU A 44 -7.382 -4.606 3.742 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.258 -2.573 4.518 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.488 -4.125 6.438 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.751 -4.116 6.667 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.325 -2.543 8.229 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.107 -1.487 6.847 1.00 0.00 H new ATOM 681 N VAL A 45 -7.312 -1.067 4.265 1.00 0.00 N ATOM 682 CA VAL A 45 -6.185 -0.162 4.073 1.00 0.00 C ATOM 683 C VAL A 45 -6.470 1.209 4.682 1.00 0.00 C ATOM 684 O VAL A 45 -7.479 1.845 4.369 1.00 0.00 O ATOM 685 CB VAL A 45 -5.830 0.001 2.577 1.00 0.00 C ATOM 686 CG1 VAL A 45 -6.985 0.614 1.801 1.00 0.00 C ATOM 687 CG2 VAL A 45 -4.570 0.836 2.416 1.00 0.00 C ATOM 0 H VAL A 45 -8.221 -0.660 4.046 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.332 -0.609 4.584 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.642 -0.991 2.166 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -6.705 0.716 0.752 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -7.860 -0.030 1.882 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.218 1.596 2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.335 0.940 1.357 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.729 1.823 2.851 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.741 0.345 2.925 1.00 0.00 H new ATOM 697 N LEU A 46 -5.572 1.656 5.555 1.00 0.00 N ATOM 698 CA LEU A 46 -5.713 2.952 6.211 1.00 0.00 C ATOM 699 C LEU A 46 -4.785 3.972 5.565 1.00 0.00 C ATOM 700 O LEU A 46 -3.591 4.004 5.858 1.00 0.00 O ATOM 701 CB LEU A 46 -5.404 2.836 7.710 1.00 0.00 C ATOM 702 CG LEU A 46 -5.886 1.549 8.388 1.00 0.00 C ATOM 703 CD1 LEU A 46 -5.512 1.555 9.863 1.00 0.00 C ATOM 704 CD2 LEU A 46 -7.389 1.380 8.216 1.00 0.00 C ATOM 0 H LEU A 46 -4.736 1.138 5.825 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.744 3.286 6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.326 2.916 7.848 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.855 3.686 8.222 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.393 0.703 7.910 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.861 0.634 10.331 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.429 1.625 9.963 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.978 2.410 10.353 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.710 0.460 8.705 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.904 2.229 8.666 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.630 1.330 7.154 1.00 0.00 H new ATOM 716 N ASP A 47 -5.338 4.800 4.680 1.00 0.00 N ATOM 717 CA ASP A 47 -4.551 5.817 3.986 1.00 0.00 C ATOM 718 C ASP A 47 -4.327 7.036 4.876 1.00 0.00 C ATOM 719 O ASP A 47 -5.253 7.805 5.139 1.00 0.00 O ATOM 720 CB ASP A 47 -5.245 6.232 2.686 1.00 0.00 C ATOM 721 CG ASP A 47 -5.389 5.077 1.717 1.00 0.00 C ATOM 722 OD1 ASP A 47 -6.406 4.356 1.802 1.00 0.00 O ATOM 723 OD2 ASP A 47 -4.482 4.890 0.879 1.00 0.00 O ATOM 0 H ASP A 47 -6.326 4.786 4.427 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.579 5.387 3.745 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -6.231 6.635 2.916 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.676 7.032 2.212 1.00 0.00 H new ATOM 728 N SER A 48 -3.089 7.202 5.343 1.00 0.00 N ATOM 729 CA SER A 48 -2.737 8.324 6.208 1.00 0.00 C ATOM 730 C SER A 48 -1.553 9.104 5.637 1.00 0.00 C ATOM 731 O SER A 48 -0.585 8.516 5.151 1.00 0.00 O ATOM 732 CB SER A 48 -2.405 7.819 7.614 1.00 0.00 C ATOM 733 OG SER A 48 -3.468 8.086 8.516 1.00 0.00 O ATOM 0 H SER A 48 -2.314 6.572 5.135 1.00 0.00 H new ATOM 0 HA SER A 48 -3.594 8.996 6.262 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.211 6.747 7.583 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.493 8.298 7.970 1.00 0.00 H new ATOM 0 HG SER A 48 -3.233 7.752 9.407 1.00 0.00 H new ATOM 739 N LYS A 49 -1.641 10.432 5.705 1.00 0.00 N ATOM 740 CA LYS A 49 -0.581 11.300 5.198 1.00 0.00 C ATOM 741 C LYS A 49 0.636 11.281 6.125 1.00 0.00 C ATOM 742 O LYS A 49 0.512 11.535 7.325 1.00 0.00 O ATOM 743 CB LYS A 49 -1.097 12.737 5.049 1.00 0.00 C ATOM 744 CG LYS A 49 -1.080 13.250 3.617 1.00 0.00 C ATOM 745 CD LYS A 49 0.147 14.106 3.346 1.00 0.00 C ATOM 746 CE LYS A 49 -0.045 15.535 3.834 1.00 0.00 C ATOM 747 NZ LYS A 49 -0.672 16.404 2.797 1.00 0.00 N ATOM 0 H LYS A 49 -2.436 10.929 6.106 1.00 0.00 H new ATOM 0 HA LYS A 49 -0.277 10.923 4.221 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.116 12.789 5.431 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.490 13.397 5.669 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -1.096 12.406 2.927 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -1.981 13.834 3.428 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.014 13.666 3.839 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.358 14.112 2.277 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.668 15.531 4.728 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.920 15.952 4.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -0.784 17.367 3.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.065 16.430 1.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.605 16.022 2.542 1.00 0.00 H new ATOM 761 N PRO A 50 1.832 10.981 5.578 1.00 0.00 N ATOM 762 CA PRO A 50 3.074 10.934 6.364 1.00 0.00 C ATOM 763 C PRO A 50 3.441 12.297 6.947 1.00 0.00 C ATOM 764 O PRO A 50 3.443 13.304 6.235 1.00 0.00 O ATOM 765 CB PRO A 50 4.132 10.486 5.348 1.00 0.00 C ATOM 766 CG PRO A 50 3.557 10.822 4.015 1.00 0.00 C ATOM 767 CD PRO A 50 2.069 10.668 4.157 1.00 0.00 C ATOM 0 HA PRO A 50 2.984 10.268 7.222 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.078 11.002 5.511 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.333 9.418 5.433 1.00 0.00 H new ATOM 0 HG2 PRO A 50 3.818 11.839 3.722 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.946 10.158 3.243 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.529 11.349 3.499 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.743 9.658 3.907 1.00 0.00 H new ATOM 775 N ARG A 51 3.752 12.325 8.244 1.00 0.00 N ATOM 776 CA ARG A 51 4.120 13.569 8.916 1.00 0.00 C ATOM 777 C ARG A 51 5.472 13.445 9.607 1.00 0.00 C ATOM 778 O ARG A 51 6.483 13.929 9.095 1.00 0.00 O ATOM 779 CB ARG A 51 3.050 13.967 9.933 1.00 0.00 C ATOM 780 CG ARG A 51 1.790 14.538 9.302 1.00 0.00 C ATOM 781 CD ARG A 51 1.772 16.060 9.357 1.00 0.00 C ATOM 782 NE ARG A 51 2.633 16.660 8.335 1.00 0.00 N ATOM 783 CZ ARG A 51 2.696 17.973 8.087 1.00 0.00 C ATOM 784 NH1 ARG A 51 1.943 18.827 8.776 1.00 0.00 N ATOM 785 NH2 ARG A 51 3.514 18.432 7.147 1.00 0.00 N ATOM 0 H ARG A 51 3.756 11.502 8.847 1.00 0.00 H new ATOM 0 HA ARG A 51 4.194 14.346 8.155 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.784 13.093 10.528 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.469 14.704 10.618 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.722 14.211 8.265 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.914 14.145 9.818 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.750 16.415 9.223 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.097 16.390 10.344 1.00 0.00 H new ATOM 0 HE ARG A 51 3.220 16.039 7.779 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.312 18.482 9.499 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.997 19.827 8.581 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.094 17.783 6.614 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.562 19.433 6.957 1.00 0.00 H new ATOM 799 N GLU A 52 5.489 12.794 10.770 1.00 0.00 N ATOM 800 CA GLU A 52 6.724 12.613 11.521 1.00 0.00 C ATOM 801 C GLU A 52 7.426 11.333 11.089 1.00 0.00 C ATOM 802 O GLU A 52 6.852 10.243 11.159 1.00 0.00 O ATOM 803 CB GLU A 52 6.443 12.564 13.024 1.00 0.00 C ATOM 804 CG GLU A 52 5.964 13.884 13.610 1.00 0.00 C ATOM 805 CD GLU A 52 6.642 14.232 14.925 1.00 0.00 C ATOM 806 OE1 GLU A 52 6.881 13.311 15.737 1.00 0.00 O ATOM 807 OE2 GLU A 52 6.930 15.427 15.144 1.00 0.00 O ATOM 0 H GLU A 52 4.663 12.386 11.208 1.00 0.00 H new ATOM 0 HA GLU A 52 7.372 13.464 11.313 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.691 11.799 13.217 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.351 12.257 13.543 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.148 14.682 12.891 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.886 13.836 13.765 1.00 0.00 H new ATOM 814 N SER A 53 8.670 11.475 10.650 1.00 0.00 N ATOM 815 CA SER A 53 9.460 10.333 10.209 1.00 0.00 C ATOM 816 C SER A 53 10.369 9.839 11.332 1.00 0.00 C ATOM 817 O SER A 53 11.453 10.382 11.552 1.00 0.00 O ATOM 818 CB SER A 53 10.290 10.696 8.976 1.00 0.00 C ATOM 819 OG SER A 53 10.600 9.540 8.214 1.00 0.00 O ATOM 0 H SER A 53 9.154 12.371 10.590 1.00 0.00 H new ATOM 0 HA SER A 53 8.774 9.529 9.941 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.740 11.406 8.359 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.211 11.190 9.286 1.00 0.00 H new ATOM 0 HG SER A 53 11.521 9.602 7.886 1.00 0.00 H new ATOM 825 N LYS A 54 9.911 8.812 12.041 1.00 0.00 N ATOM 826 CA LYS A 54 10.670 8.235 13.147 1.00 0.00 C ATOM 827 C LYS A 54 10.812 6.719 12.984 1.00 0.00 C ATOM 828 O LYS A 54 10.969 5.995 13.968 1.00 0.00 O ATOM 829 CB LYS A 54 9.975 8.562 14.469 1.00 0.00 C ATOM 830 CG LYS A 54 8.522 8.111 14.528 1.00 0.00 C ATOM 831 CD LYS A 54 7.918 8.337 15.904 1.00 0.00 C ATOM 832 CE LYS A 54 7.623 9.810 16.150 1.00 0.00 C ATOM 833 NZ LYS A 54 8.751 10.506 16.835 1.00 0.00 N ATOM 0 H LYS A 54 9.013 8.360 11.869 1.00 0.00 H new ATOM 0 HA LYS A 54 11.671 8.667 13.146 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.525 8.091 15.284 1.00 0.00 H new ATOM 0 HB3 LYS A 54 10.019 9.638 14.635 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.942 8.655 13.782 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.459 7.053 14.272 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.998 7.760 15.998 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.603 7.970 16.668 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.420 10.301 15.199 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.721 9.902 16.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.421 10.893 17.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.522 9.830 17.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.097 11.281 16.234 1.00 0.00 H new ATOM 847 N GLU A 55 10.748 6.250 11.733 1.00 0.00 N ATOM 848 CA GLU A 55 10.859 4.824 11.424 1.00 0.00 C ATOM 849 C GLU A 55 9.784 4.001 12.150 1.00 0.00 C ATOM 850 O GLU A 55 9.943 2.797 12.357 1.00 0.00 O ATOM 851 CB GLU A 55 12.255 4.305 11.782 1.00 0.00 C ATOM 852 CG GLU A 55 12.535 2.903 11.260 1.00 0.00 C ATOM 853 CD GLU A 55 13.998 2.675 10.928 1.00 0.00 C ATOM 854 OE1 GLU A 55 14.538 3.411 10.074 1.00 0.00 O ATOM 855 OE2 GLU A 55 14.604 1.757 11.520 1.00 0.00 O ATOM 0 H GLU A 55 10.619 6.844 10.914 1.00 0.00 H new ATOM 0 HA GLU A 55 10.700 4.707 10.352 1.00 0.00 H new ATOM 0 HB2 GLU A 55 13.002 4.989 11.380 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.369 4.310 12.866 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.220 2.174 12.006 1.00 0.00 H new ATOM 0 HG3 GLU A 55 11.934 2.727 10.368 1.00 0.00 H new ATOM 862 N ASN A 56 8.685 4.656 12.524 1.00 0.00 N ATOM 863 CA ASN A 56 7.587 3.983 13.213 1.00 0.00 C ATOM 864 C ASN A 56 6.421 3.731 12.262 1.00 0.00 C ATOM 865 O ASN A 56 5.776 2.685 12.324 1.00 0.00 O ATOM 866 CB ASN A 56 7.115 4.820 14.404 1.00 0.00 C ATOM 867 CG ASN A 56 6.289 4.017 15.393 1.00 0.00 C ATOM 868 OD1 ASN A 56 6.777 3.619 16.448 1.00 0.00 O ATOM 869 ND2 ASN A 56 5.026 3.773 15.053 1.00 0.00 N ATOM 0 H ASN A 56 8.533 5.651 12.361 1.00 0.00 H new ATOM 0 HA ASN A 56 7.953 3.022 13.574 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.982 5.238 14.916 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.524 5.660 14.041 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.424 3.237 15.678 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.660 4.122 14.167 1.00 0.00 H new ATOM 876 N VAL A 57 6.158 4.697 11.381 1.00 0.00 N ATOM 877 CA VAL A 57 5.073 4.580 10.416 1.00 0.00 C ATOM 878 C VAL A 57 5.576 4.016 9.090 1.00 0.00 C ATOM 879 O VAL A 57 6.610 4.445 8.578 1.00 0.00 O ATOM 880 CB VAL A 57 4.378 5.942 10.180 1.00 0.00 C ATOM 881 CG1 VAL A 57 3.760 6.445 11.474 1.00 0.00 C ATOM 882 CG2 VAL A 57 5.354 6.974 9.622 1.00 0.00 C ATOM 0 H VAL A 57 6.684 5.569 11.319 1.00 0.00 H new ATOM 0 HA VAL A 57 4.342 3.889 10.836 1.00 0.00 H new ATOM 0 HB VAL A 57 3.589 5.795 9.442 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.274 7.404 11.296 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.023 5.725 11.829 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.539 6.567 12.226 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.835 7.920 9.467 1.00 0.00 H new ATOM 0 HG22 VAL A 57 6.172 7.120 10.328 1.00 0.00 H new ATOM 0 HG23 VAL A 57 5.754 6.620 8.672 1.00 0.00 H new ATOM 892 N PHE A 58 4.839 3.052 8.542 1.00 0.00 N ATOM 893 CA PHE A 58 5.208 2.426 7.270 1.00 0.00 C ATOM 894 C PHE A 58 3.976 1.881 6.547 1.00 0.00 C ATOM 895 O PHE A 58 2.888 1.810 7.120 1.00 0.00 O ATOM 896 CB PHE A 58 6.216 1.292 7.497 1.00 0.00 C ATOM 897 CG PHE A 58 5.896 0.432 8.688 1.00 0.00 C ATOM 898 CD1 PHE A 58 4.983 -0.603 8.580 1.00 0.00 C ATOM 899 CD2 PHE A 58 6.501 0.663 9.913 1.00 0.00 C ATOM 900 CE1 PHE A 58 4.677 -1.392 9.671 1.00 0.00 C ATOM 901 CE2 PHE A 58 6.200 -0.125 11.008 1.00 0.00 C ATOM 902 CZ PHE A 58 5.287 -1.152 10.886 1.00 0.00 C ATOM 0 H PHE A 58 3.982 2.686 8.957 1.00 0.00 H new ATOM 0 HA PHE A 58 5.668 3.193 6.647 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.252 0.665 6.606 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.210 1.721 7.625 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.504 -0.796 7.631 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.215 1.467 10.013 1.00 0.00 H new ATOM 0 HE1 PHE A 58 3.962 -2.195 9.574 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.679 0.063 11.958 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.050 -1.768 11.741 1.00 0.00 H new ATOM 912 N ILE A 59 4.160 1.498 5.284 1.00 0.00 N ATOM 913 CA ILE A 59 3.077 0.957 4.469 1.00 0.00 C ATOM 914 C ILE A 59 3.289 -0.534 4.188 1.00 0.00 C ATOM 915 O ILE A 59 4.342 -0.935 3.687 1.00 0.00 O ATOM 916 CB ILE A 59 2.948 1.732 3.136 1.00 0.00 C ATOM 917 CG1 ILE A 59 1.876 1.102 2.233 1.00 0.00 C ATOM 918 CG2 ILE A 59 4.286 1.795 2.417 1.00 0.00 C ATOM 919 CD1 ILE A 59 1.847 1.666 0.827 1.00 0.00 C ATOM 0 H ILE A 59 5.057 1.554 4.802 1.00 0.00 H new ATOM 0 HA ILE A 59 2.152 1.075 5.033 1.00 0.00 H new ATOM 0 HB ILE A 59 2.637 2.750 3.369 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.047 0.027 2.179 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.898 1.247 2.692 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.171 2.344 1.483 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.015 2.302 3.049 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.632 0.784 2.203 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.064 1.171 0.252 1.00 0.00 H new ATOM 0 HD12 ILE A 59 1.644 2.736 0.868 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.811 1.498 0.347 1.00 0.00 H new ATOM 931 N VAL A 60 2.284 -1.352 4.515 1.00 0.00 N ATOM 932 CA VAL A 60 2.362 -2.798 4.300 1.00 0.00 C ATOM 933 C VAL A 60 1.615 -3.211 3.028 1.00 0.00 C ATOM 934 O VAL A 60 0.675 -2.540 2.600 1.00 0.00 O ATOM 935 CB VAL A 60 1.814 -3.594 5.515 1.00 0.00 C ATOM 936 CG1 VAL A 60 2.204 -2.927 6.829 1.00 0.00 C ATOM 937 CG2 VAL A 60 0.302 -3.765 5.437 1.00 0.00 C ATOM 0 H VAL A 60 1.407 -1.036 4.930 1.00 0.00 H new ATOM 0 HA VAL A 60 3.418 -3.041 4.183 1.00 0.00 H new ATOM 0 HB VAL A 60 2.267 -4.585 5.482 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.807 -3.506 7.663 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.290 -2.880 6.905 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.794 -1.918 6.860 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.046 -4.327 6.304 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.175 -2.785 5.425 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.043 -4.306 4.527 1.00 0.00 H new ATOM 947 N SER A 61 2.049 -4.323 2.426 1.00 0.00 N ATOM 948 CA SER A 61 1.432 -4.833 1.201 1.00 0.00 C ATOM 949 C SER A 61 0.532 -6.038 1.486 1.00 0.00 C ATOM 950 O SER A 61 0.642 -6.671 2.537 1.00 0.00 O ATOM 951 CB SER A 61 2.512 -5.215 0.180 1.00 0.00 C ATOM 952 OG SER A 61 3.112 -6.460 0.501 1.00 0.00 O ATOM 0 H SER A 61 2.827 -4.887 2.769 1.00 0.00 H new ATOM 0 HA SER A 61 0.811 -4.038 0.787 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.071 -5.268 -0.815 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.276 -4.438 0.149 1.00 0.00 H new ATOM 0 HG SER A 61 3.794 -6.677 -0.168 1.00 0.00 H new ATOM 958 N PRO A 62 -0.373 -6.372 0.541 1.00 0.00 N ATOM 959 CA PRO A 62 -1.294 -7.511 0.688 1.00 0.00 C ATOM 960 C PRO A 62 -0.556 -8.828 0.915 1.00 0.00 C ATOM 961 O PRO A 62 0.358 -9.174 0.166 1.00 0.00 O ATOM 962 CB PRO A 62 -2.046 -7.543 -0.648 1.00 0.00 C ATOM 963 CG PRO A 62 -1.902 -6.169 -1.204 1.00 0.00 C ATOM 964 CD PRO A 62 -0.563 -5.675 -0.743 1.00 0.00 C ATOM 0 HA PRO A 62 -1.946 -7.395 1.554 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -1.622 -8.288 -1.322 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -3.095 -7.803 -0.505 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.960 -6.180 -2.292 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -2.701 -5.519 -0.849 1.00 0.00 H new ATOM 0 HD2 PRO A 62 0.224 -5.921 -1.455 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.554 -4.592 -0.619 1.00 0.00 H new ATOM 972 N TYR A 63 -0.962 -9.555 1.963 1.00 0.00 N ATOM 973 CA TYR A 63 -0.348 -10.842 2.314 1.00 0.00 C ATOM 974 C TYR A 63 1.023 -10.666 2.983 1.00 0.00 C ATOM 975 O TYR A 63 1.680 -11.653 3.319 1.00 0.00 O ATOM 976 CB TYR A 63 -0.214 -11.726 1.072 1.00 0.00 C ATOM 977 CG TYR A 63 -0.821 -13.102 1.233 1.00 0.00 C ATOM 978 CD1 TYR A 63 -2.199 -13.270 1.317 1.00 0.00 C ATOM 979 CD2 TYR A 63 -0.018 -14.232 1.298 1.00 0.00 C ATOM 980 CE1 TYR A 63 -2.756 -14.524 1.462 1.00 0.00 C ATOM 981 CE2 TYR A 63 -0.568 -15.490 1.445 1.00 0.00 C ATOM 982 CZ TYR A 63 -1.937 -15.632 1.525 1.00 0.00 C ATOM 983 OH TYR A 63 -2.491 -16.886 1.666 1.00 0.00 O ATOM 0 H TYR A 63 -1.718 -9.272 2.586 1.00 0.00 H new ATOM 0 HA TYR A 63 -1.007 -11.326 3.035 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -0.690 -11.226 0.229 1.00 0.00 H new ATOM 0 HB3 TYR A 63 0.842 -11.832 0.825 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -2.844 -12.405 1.268 1.00 0.00 H new ATOM 0 HD2 TYR A 63 1.055 -14.126 1.233 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -3.828 -14.637 1.526 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.071 -16.359 1.497 1.00 0.00 H new ATOM 0 HH TYR A 63 -1.778 -17.558 1.693 1.00 0.00 H new ATOM 993 N ASN A 64 1.449 -9.416 3.182 1.00 0.00 N ATOM 994 CA ASN A 64 2.735 -9.142 3.815 1.00 0.00 C ATOM 995 C ASN A 64 2.607 -9.154 5.336 1.00 0.00 C ATOM 996 O ASN A 64 2.228 -8.153 5.947 1.00 0.00 O ATOM 997 CB ASN A 64 3.289 -7.794 3.341 1.00 0.00 C ATOM 998 CG ASN A 64 4.733 -7.884 2.886 1.00 0.00 C ATOM 999 OD1 ASN A 64 5.624 -7.289 3.492 1.00 0.00 O ATOM 1000 ND2 ASN A 64 4.975 -8.631 1.813 1.00 0.00 N ATOM 0 H ASN A 64 0.923 -8.584 2.914 1.00 0.00 H new ATOM 0 HA ASN A 64 3.430 -9.929 3.523 1.00 0.00 H new ATOM 0 HB2 ASN A 64 2.676 -7.422 2.520 1.00 0.00 H new ATOM 0 HB3 ASN A 64 3.212 -7.069 4.151 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.928 -8.727 1.463 1.00 0.00 H new ATOM 0 HD22 ASN A 64 4.207 -9.108 1.340 1.00 0.00 H new ATOM 1007 N HIS A 65 2.932 -10.297 5.940 1.00 0.00 N ATOM 1008 CA HIS A 65 2.867 -10.450 7.391 1.00 0.00 C ATOM 1009 C HIS A 65 4.045 -9.745 8.059 1.00 0.00 C ATOM 1010 O HIS A 65 4.964 -9.289 7.380 1.00 0.00 O ATOM 1011 CB HIS A 65 2.861 -11.936 7.767 1.00 0.00 C ATOM 1012 CG HIS A 65 1.669 -12.346 8.576 1.00 0.00 C ATOM 1013 ND1 HIS A 65 1.727 -13.290 9.579 1.00 0.00 N ATOM 1014 CD2 HIS A 65 0.380 -11.935 8.524 1.00 0.00 C ATOM 1015 CE1 HIS A 65 0.526 -13.442 10.107 1.00 0.00 C ATOM 1016 NE2 HIS A 65 -0.309 -12.630 9.486 1.00 0.00 N ATOM 0 H HIS A 65 3.244 -11.132 5.444 1.00 0.00 H new ATOM 0 HA HIS A 65 1.943 -9.992 7.744 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.893 -12.533 6.855 1.00 0.00 H new ATOM 0 HB3 HIS A 65 3.767 -12.163 8.329 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.030 -11.197 7.850 1.00 0.00 H new ATOM 0 HE1 HIS A 65 0.270 -14.117 10.911 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -1.304 -12.535 9.688 1.00 0.00 H new ATOM 1025 N THR A 66 4.000 -9.658 9.391 1.00 0.00 N ATOM 1026 CA THR A 66 5.051 -9.004 10.178 1.00 0.00 C ATOM 1027 C THR A 66 5.253 -7.553 9.736 1.00 0.00 C ATOM 1028 O THR A 66 5.937 -7.277 8.747 1.00 0.00 O ATOM 1029 CB THR A 66 6.378 -9.780 10.104 1.00 0.00 C ATOM 1030 OG1 THR A 66 7.010 -9.620 8.844 1.00 0.00 O ATOM 1031 CG2 THR A 66 6.219 -11.266 10.349 1.00 0.00 C ATOM 0 H THR A 66 3.238 -10.037 9.953 1.00 0.00 H new ATOM 0 HA THR A 66 4.721 -9.002 11.217 1.00 0.00 H new ATOM 0 HB THR A 66 6.989 -9.353 10.899 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.427 -9.104 8.249 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.192 -11.752 10.282 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.800 -11.428 11.342 1.00 0.00 H new ATOM 0 HG23 THR A 66 5.550 -11.689 9.599 1.00 0.00 H new ATOM 1039 N ASN A 67 4.649 -6.629 10.479 1.00 0.00 N ATOM 1040 CA ASN A 67 4.756 -5.202 10.173 1.00 0.00 C ATOM 1041 C ASN A 67 6.148 -4.671 10.527 1.00 0.00 C ATOM 1042 O ASN A 67 6.305 -3.848 11.431 1.00 0.00 O ATOM 1043 CB ASN A 67 3.669 -4.416 10.921 1.00 0.00 C ATOM 1044 CG ASN A 67 2.409 -4.231 10.091 1.00 0.00 C ATOM 1045 OD1 ASN A 67 1.916 -3.115 9.935 1.00 0.00 O ATOM 1046 ND2 ASN A 67 1.881 -5.328 9.555 1.00 0.00 N ATOM 0 H ASN A 67 4.080 -6.842 11.298 1.00 0.00 H new ATOM 0 HA ASN A 67 4.608 -5.067 9.102 1.00 0.00 H new ATOM 0 HB2 ASN A 67 3.418 -4.938 11.845 1.00 0.00 H new ATOM 0 HB3 ASN A 67 4.061 -3.439 11.203 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.035 -5.263 8.989 1.00 0.00 H new ATOM 0 HD22 ASN A 67 2.322 -6.234 9.710 1.00 0.00 H new ATOM 1053 N LEU A 68 7.156 -5.157 9.802 1.00 0.00 N ATOM 1054 CA LEU A 68 8.544 -4.752 10.019 1.00 0.00 C ATOM 1055 C LEU A 68 9.072 -3.914 8.843 1.00 0.00 C ATOM 1056 O LEU A 68 9.519 -2.783 9.042 1.00 0.00 O ATOM 1057 CB LEU A 68 9.429 -5.986 10.237 1.00 0.00 C ATOM 1058 CG LEU A 68 10.396 -5.898 11.423 1.00 0.00 C ATOM 1059 CD1 LEU A 68 9.857 -6.673 12.619 1.00 0.00 C ATOM 1060 CD2 LEU A 68 11.772 -6.418 11.026 1.00 0.00 C ATOM 0 H LEU A 68 7.034 -5.838 9.053 1.00 0.00 H new ATOM 0 HA LEU A 68 8.578 -4.130 10.913 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.785 -6.854 10.378 1.00 0.00 H new ATOM 0 HB3 LEU A 68 10.007 -6.162 9.330 1.00 0.00 H new ATOM 0 HG LEU A 68 10.490 -4.851 11.711 1.00 0.00 H new ATOM 0 HD11 LEU A 68 10.560 -6.597 13.449 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.895 -6.257 12.919 1.00 0.00 H new ATOM 0 HD13 LEU A 68 9.730 -7.721 12.346 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.447 -6.349 11.879 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.691 -7.458 10.711 1.00 0.00 H new ATOM 0 HD23 LEU A 68 12.164 -5.819 10.204 1.00 0.00 H new ATOM 1072 N PRO A 69 9.031 -4.450 7.598 1.00 0.00 N ATOM 1073 CA PRO A 69 9.511 -3.734 6.412 1.00 0.00 C ATOM 1074 C PRO A 69 8.455 -2.789 5.828 1.00 0.00 C ATOM 1075 O PRO A 69 7.414 -2.553 6.443 1.00 0.00 O ATOM 1076 CB PRO A 69 9.823 -4.871 5.441 1.00 0.00 C ATOM 1077 CG PRO A 69 8.837 -5.939 5.779 1.00 0.00 C ATOM 1078 CD PRO A 69 8.520 -5.793 7.247 1.00 0.00 C ATOM 0 HA PRO A 69 10.362 -3.088 6.630 1.00 0.00 H new ATOM 0 HB2 PRO A 69 9.717 -4.548 4.405 1.00 0.00 H new ATOM 0 HB3 PRO A 69 10.847 -5.225 5.561 1.00 0.00 H new ATOM 0 HG2 PRO A 69 7.934 -5.836 5.177 1.00 0.00 H new ATOM 0 HG3 PRO A 69 9.249 -6.926 5.569 1.00 0.00 H new ATOM 0 HD2 PRO A 69 7.449 -5.872 7.433 1.00 0.00 H new ATOM 0 HD3 PRO A 69 9.004 -6.570 7.838 1.00 0.00 H new ATOM 1086 N THR A 70 8.731 -2.252 4.636 1.00 0.00 N ATOM 1087 CA THR A 70 7.806 -1.333 3.974 1.00 0.00 C ATOM 1088 C THR A 70 7.753 -1.606 2.471 1.00 0.00 C ATOM 1089 O THR A 70 8.717 -2.101 1.893 1.00 0.00 O ATOM 1090 CB THR A 70 8.224 0.118 4.231 1.00 0.00 C ATOM 1091 OG1 THR A 70 8.421 0.343 5.618 1.00 0.00 O ATOM 1092 CG2 THR A 70 7.209 1.128 3.741 1.00 0.00 C ATOM 0 H THR A 70 9.586 -2.438 4.112 1.00 0.00 H new ATOM 0 HA THR A 70 6.811 -1.493 4.389 1.00 0.00 H new ATOM 0 HB THR A 70 9.149 0.258 3.672 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.689 1.274 5.763 1.00 0.00 H new ATOM 0 HG21 THR A 70 7.566 2.136 3.954 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.070 1.012 2.666 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.259 0.965 4.250 1.00 0.00 H new ATOM 1100 N VAL A 71 6.619 -1.286 1.848 1.00 0.00 N ATOM 1101 CA VAL A 71 6.438 -1.504 0.409 1.00 0.00 C ATOM 1102 C VAL A 71 6.020 -0.217 -0.309 1.00 0.00 C ATOM 1103 O VAL A 71 5.732 0.793 0.330 1.00 0.00 O ATOM 1104 CB VAL A 71 5.387 -2.603 0.138 1.00 0.00 C ATOM 1105 CG1 VAL A 71 5.837 -3.933 0.725 1.00 0.00 C ATOM 1106 CG2 VAL A 71 4.029 -2.204 0.695 1.00 0.00 C ATOM 0 H VAL A 71 5.811 -0.875 2.315 1.00 0.00 H new ATOM 0 HA VAL A 71 7.403 -1.826 0.017 1.00 0.00 H new ATOM 0 HB VAL A 71 5.290 -2.719 -0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.083 -4.694 0.523 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.782 -4.230 0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.969 -3.829 1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.306 -2.994 0.492 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.108 -2.052 1.772 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.699 -1.279 0.221 1.00 0.00 H new ATOM 1116 N THR A 72 5.991 -0.259 -1.644 1.00 0.00 N ATOM 1117 CA THR A 72 5.608 0.912 -2.438 1.00 0.00 C ATOM 1118 C THR A 72 4.084 1.055 -2.517 1.00 0.00 C ATOM 1119 O THR A 72 3.358 0.060 -2.552 1.00 0.00 O ATOM 1120 CB THR A 72 6.190 0.830 -3.857 1.00 0.00 C ATOM 1121 OG1 THR A 72 6.544 -0.501 -4.191 1.00 0.00 O ATOM 1122 CG2 THR A 72 7.417 1.698 -4.052 1.00 0.00 C ATOM 0 H THR A 72 6.226 -1.085 -2.195 1.00 0.00 H new ATOM 0 HA THR A 72 6.017 1.789 -1.937 1.00 0.00 H new ATOM 0 HB THR A 72 5.397 1.195 -4.509 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.759 -0.553 -5.146 1.00 0.00 H new ATOM 0 HG21 THR A 72 7.778 1.594 -5.075 1.00 0.00 H new ATOM 0 HG22 THR A 72 7.159 2.740 -3.863 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.198 1.385 -3.359 1.00 0.00 H new ATOM 1130 N PRO A 73 3.582 2.308 -2.557 1.00 0.00 N ATOM 1131 CA PRO A 73 2.141 2.593 -2.644 1.00 0.00 C ATOM 1132 C PRO A 73 1.567 2.256 -4.018 1.00 0.00 C ATOM 1133 O PRO A 73 0.424 1.809 -4.133 1.00 0.00 O ATOM 1134 CB PRO A 73 2.066 4.097 -2.398 1.00 0.00 C ATOM 1135 CG PRO A 73 3.381 4.621 -2.855 1.00 0.00 C ATOM 1136 CD PRO A 73 4.385 3.547 -2.533 1.00 0.00 C ATOM 0 HA PRO A 73 1.564 1.998 -1.936 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.245 4.549 -2.955 1.00 0.00 H new ATOM 0 HB3 PRO A 73 1.896 4.318 -1.344 1.00 0.00 H new ATOM 0 HG2 PRO A 73 3.367 4.835 -3.924 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.629 5.553 -2.347 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.191 3.518 -3.266 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.846 3.708 -1.559 1.00 0.00 H new ATOM 1144 N THR A 74 2.379 2.473 -5.057 1.00 0.00 N ATOM 1145 CA THR A 74 1.978 2.193 -6.437 1.00 0.00 C ATOM 1146 C THR A 74 1.571 0.726 -6.623 1.00 0.00 C ATOM 1147 O THR A 74 0.931 0.382 -7.616 1.00 0.00 O ATOM 1148 CB THR A 74 3.115 2.542 -7.405 1.00 0.00 C ATOM 1149 OG1 THR A 74 4.353 2.038 -6.934 1.00 0.00 O ATOM 1150 CG2 THR A 74 3.278 4.034 -7.626 1.00 0.00 C ATOM 0 H THR A 74 3.325 2.844 -4.966 1.00 0.00 H new ATOM 0 HA THR A 74 1.110 2.815 -6.657 1.00 0.00 H new ATOM 0 HB THR A 74 2.838 2.079 -8.352 1.00 0.00 H new ATOM 0 HG1 THR A 74 5.063 2.271 -7.568 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.099 4.211 -8.321 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.357 4.443 -8.041 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.495 4.521 -6.675 1.00 0.00 H new ATOM 1158 N TYR A 75 1.939 -0.135 -5.666 1.00 0.00 N ATOM 1159 CA TYR A 75 1.599 -1.558 -5.729 1.00 0.00 C ATOM 1160 C TYR A 75 0.119 -1.772 -6.071 1.00 0.00 C ATOM 1161 O TYR A 75 -0.237 -2.776 -6.681 1.00 0.00 O ATOM 1162 CB TYR A 75 1.928 -2.238 -4.398 1.00 0.00 C ATOM 1163 CG TYR A 75 2.092 -3.739 -4.495 1.00 0.00 C ATOM 1164 CD1 TYR A 75 0.995 -4.585 -4.396 1.00 0.00 C ATOM 1165 CD2 TYR A 75 3.345 -4.308 -4.679 1.00 0.00 C ATOM 1166 CE1 TYR A 75 1.143 -5.957 -4.478 1.00 0.00 C ATOM 1167 CE2 TYR A 75 3.501 -5.679 -4.763 1.00 0.00 C ATOM 1168 CZ TYR A 75 2.397 -6.499 -4.661 1.00 0.00 C ATOM 1169 OH TYR A 75 2.548 -7.866 -4.740 1.00 0.00 O ATOM 0 H TYR A 75 2.473 0.132 -4.839 1.00 0.00 H new ATOM 0 HA TYR A 75 2.196 -2.005 -6.524 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.847 -1.808 -4.000 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.136 -2.015 -3.683 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.011 -4.164 -4.253 1.00 0.00 H new ATOM 0 HD2 TYR A 75 4.212 -3.669 -4.758 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.280 -6.601 -4.399 1.00 0.00 H new ATOM 0 HE2 TYR A 75 4.483 -6.106 -4.908 1.00 0.00 H new ATOM 0 HH TYR A 75 3.495 -8.084 -4.871 1.00 0.00 H new ATOM 1179 N ILE A 76 -0.737 -0.824 -5.674 1.00 0.00 N ATOM 1180 CA ILE A 76 -2.174 -0.915 -5.944 1.00 0.00 C ATOM 1181 C ILE A 76 -2.453 -1.110 -7.435 1.00 0.00 C ATOM 1182 O ILE A 76 -3.121 -2.067 -7.822 1.00 0.00 O ATOM 1183 CB ILE A 76 -2.934 0.338 -5.458 1.00 0.00 C ATOM 1184 CG1 ILE A 76 -2.715 0.561 -3.960 1.00 0.00 C ATOM 1185 CG2 ILE A 76 -4.418 0.207 -5.767 1.00 0.00 C ATOM 1186 CD1 ILE A 76 -3.320 -0.516 -3.087 1.00 0.00 C ATOM 0 H ILE A 76 -0.458 0.015 -5.165 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.530 -1.784 -5.390 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.542 1.205 -5.990 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.644 0.616 -3.763 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.141 1.524 -3.680 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -4.942 1.097 -5.419 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.558 0.101 -6.843 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.819 -0.671 -5.261 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.123 -0.288 -2.039 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.396 -0.557 -3.253 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.877 -1.480 -3.338 1.00 0.00 H new ATOM 1198 N LYS A 77 -1.940 -0.198 -8.267 1.00 0.00 N ATOM 1199 CA LYS A 77 -2.143 -0.286 -9.717 1.00 0.00 C ATOM 1200 C LYS A 77 -1.637 -1.621 -10.266 1.00 0.00 C ATOM 1201 O LYS A 77 -2.158 -2.127 -11.259 1.00 0.00 O ATOM 1202 CB LYS A 77 -1.454 0.876 -10.444 1.00 0.00 C ATOM 1203 CG LYS A 77 0.028 1.022 -10.128 1.00 0.00 C ATOM 1204 CD LYS A 77 0.806 1.547 -11.324 1.00 0.00 C ATOM 1205 CE LYS A 77 2.283 1.725 -10.997 1.00 0.00 C ATOM 1206 NZ LYS A 77 3.154 1.439 -12.172 1.00 0.00 N ATOM 0 H LYS A 77 -1.386 0.603 -7.965 1.00 0.00 H new ATOM 0 HA LYS A 77 -3.216 -0.221 -9.899 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.573 0.738 -11.519 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.962 1.804 -10.184 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.156 1.700 -9.284 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.433 0.056 -9.825 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.698 0.856 -12.160 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.386 2.501 -11.642 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.458 2.745 -10.656 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.555 1.063 -10.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.151 1.572 -11.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.007 0.457 -12.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.913 2.088 -12.949 1.00 0.00 H new ATOM 1220 N ALA A 78 -0.626 -2.190 -9.606 1.00 0.00 N ATOM 1221 CA ALA A 78 -0.060 -3.471 -10.019 1.00 0.00 C ATOM 1222 C ALA A 78 -0.794 -4.646 -9.366 1.00 0.00 C ATOM 1223 O ALA A 78 -0.695 -5.778 -9.832 1.00 0.00 O ATOM 1224 CB ALA A 78 1.425 -3.527 -9.688 1.00 0.00 C ATOM 0 H ALA A 78 -0.184 -1.781 -8.783 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.186 -3.556 -11.098 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.832 -4.488 -10.002 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.945 -2.724 -10.211 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.563 -3.408 -8.613 1.00 0.00 H new ATOM 1230 N CYS A 79 -1.527 -4.377 -8.283 1.00 0.00 N ATOM 1231 CA CYS A 79 -2.267 -5.423 -7.584 1.00 0.00 C ATOM 1232 C CYS A 79 -3.679 -5.574 -8.149 1.00 0.00 C ATOM 1233 O CYS A 79 -4.227 -6.674 -8.175 1.00 0.00 O ATOM 1234 CB CYS A 79 -2.335 -5.115 -6.089 1.00 0.00 C ATOM 1235 SG CYS A 79 -2.425 -6.581 -5.035 1.00 0.00 S ATOM 0 H CYS A 79 -1.622 -3.447 -7.875 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.737 -6.364 -7.733 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.457 -4.533 -5.809 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.207 -4.489 -5.897 1.00 0.00 H new ATOM 0 HG CYS A 79 -1.372 -7.319 -5.227 1.00 0.00 H new ATOM 1241 N CYS A 80 -4.262 -4.464 -8.597 1.00 0.00 N ATOM 1242 CA CYS A 80 -5.610 -4.482 -9.157 1.00 0.00 C ATOM 1243 C CYS A 80 -5.586 -4.792 -10.656 1.00 0.00 C ATOM 1244 O CYS A 80 -6.514 -5.411 -11.182 1.00 0.00 O ATOM 1245 CB CYS A 80 -6.308 -3.141 -8.909 1.00 0.00 C ATOM 1246 SG CYS A 80 -8.099 -3.270 -8.704 1.00 0.00 S ATOM 0 H CYS A 80 -3.823 -3.544 -8.583 1.00 0.00 H new ATOM 0 HA CYS A 80 -6.168 -5.273 -8.656 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -5.883 -2.682 -8.017 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -6.096 -2.473 -9.744 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.598 -2.088 -8.498 1.00 0.00 H new ATOM 1252 N GLN A 81 -4.526 -4.357 -11.340 1.00 0.00 N ATOM 1253 CA GLN A 81 -4.394 -4.587 -12.781 1.00 0.00 C ATOM 1254 C GLN A 81 -3.514 -5.803 -13.075 1.00 0.00 C ATOM 1255 O GLN A 81 -3.872 -6.649 -13.894 1.00 0.00 O ATOM 1256 CB GLN A 81 -3.819 -3.348 -13.472 1.00 0.00 C ATOM 1257 CG GLN A 81 -4.571 -2.065 -13.149 1.00 0.00 C ATOM 1258 CD GLN A 81 -5.471 -1.607 -14.284 1.00 0.00 C ATOM 1259 OE1 GLN A 81 -6.001 -2.421 -15.041 1.00 0.00 O ATOM 1260 NE2 GLN A 81 -5.647 -0.297 -14.409 1.00 0.00 N ATOM 0 H GLN A 81 -3.749 -3.845 -10.922 1.00 0.00 H new ATOM 0 HA GLN A 81 -5.391 -4.785 -13.175 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.776 -3.231 -13.180 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.832 -3.505 -14.551 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.173 -2.218 -12.253 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.854 -1.277 -12.920 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -5.189 0.343 -13.760 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -6.240 0.069 -15.154 1.00 0.00 H new ATOM 1269 N SER A 82 -2.362 -5.887 -12.407 1.00 0.00 N ATOM 1270 CA SER A 82 -1.440 -7.007 -12.610 1.00 0.00 C ATOM 1271 C SER A 82 -1.780 -8.195 -11.706 1.00 0.00 C ATOM 1272 O SER A 82 -1.348 -9.319 -11.971 1.00 0.00 O ATOM 1273 CB SER A 82 0.007 -6.564 -12.361 1.00 0.00 C ATOM 1274 OG SER A 82 0.857 -6.994 -13.408 1.00 0.00 O ATOM 0 H SER A 82 -2.046 -5.198 -11.725 1.00 0.00 H new ATOM 0 HA SER A 82 -1.547 -7.329 -13.646 1.00 0.00 H new ATOM 0 HB2 SER A 82 0.049 -5.478 -12.277 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.358 -6.971 -11.413 1.00 0.00 H new ATOM 0 HG SER A 82 1.391 -6.237 -13.728 1.00 0.00 H new ATOM 1280 N ASN A 83 -2.554 -7.947 -10.642 1.00 0.00 N ATOM 1281 CA ASN A 83 -2.952 -8.993 -9.704 1.00 0.00 C ATOM 1282 C ASN A 83 -1.748 -9.514 -8.913 1.00 0.00 C ATOM 1283 O ASN A 83 -1.560 -9.143 -7.753 1.00 0.00 O ATOM 1284 CB ASN A 83 -3.660 -10.137 -10.437 1.00 0.00 C ATOM 1285 CG ASN A 83 -4.845 -9.654 -11.251 1.00 0.00 C ATOM 1286 OD1 ASN A 83 -4.774 -9.556 -12.476 1.00 0.00 O ATOM 1287 ND2 ASN A 83 -5.947 -9.345 -10.573 1.00 0.00 N ATOM 0 H ASN A 83 -2.917 -7.022 -10.412 1.00 0.00 H new ATOM 0 HA ASN A 83 -3.654 -8.557 -8.993 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.950 -10.638 -11.095 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.998 -10.876 -9.711 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.774 -9.013 -11.069 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.965 -9.440 -9.558 1.00 0.00 H new ATOM 1294 N SER A 84 -0.934 -10.365 -9.541 1.00 0.00 N ATOM 1295 CA SER A 84 0.248 -10.923 -8.885 1.00 0.00 C ATOM 1296 C SER A 84 1.167 -11.600 -9.903 1.00 0.00 C ATOM 1297 O SER A 84 1.323 -12.823 -9.899 1.00 0.00 O ATOM 1298 CB SER A 84 -0.169 -11.918 -7.797 1.00 0.00 C ATOM 1299 OG SER A 84 0.919 -12.232 -6.946 1.00 0.00 O ATOM 0 H SER A 84 -1.072 -10.682 -10.501 1.00 0.00 H new ATOM 0 HA SER A 84 0.800 -10.106 -8.420 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.984 -11.497 -7.209 1.00 0.00 H new ATOM 0 HB3 SER A 84 -0.547 -12.830 -8.260 1.00 0.00 H new ATOM 0 HG SER A 84 0.625 -12.867 -6.260 1.00 0.00 H new ATOM 1305 N LEU A 85 1.772 -10.795 -10.774 1.00 0.00 N ATOM 1306 CA LEU A 85 2.676 -11.311 -11.798 1.00 0.00 C ATOM 1307 C LEU A 85 4.109 -10.828 -11.567 1.00 0.00 C ATOM 1308 O LEU A 85 5.057 -11.608 -11.675 1.00 0.00 O ATOM 1309 CB LEU A 85 2.196 -10.885 -13.188 1.00 0.00 C ATOM 1310 CG LEU A 85 2.878 -11.598 -14.360 1.00 0.00 C ATOM 1311 CD1 LEU A 85 1.892 -11.821 -15.497 1.00 0.00 C ATOM 1312 CD2 LEU A 85 4.082 -10.798 -14.842 1.00 0.00 C ATOM 0 H LEU A 85 1.652 -9.782 -10.791 1.00 0.00 H new ATOM 0 HA LEU A 85 2.671 -12.399 -11.734 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.122 -11.059 -13.253 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.352 -9.812 -13.296 1.00 0.00 H new ATOM 0 HG LEU A 85 3.228 -12.571 -14.016 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.395 -12.329 -16.320 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.063 -12.435 -15.145 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.511 -10.860 -15.842 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.555 -11.318 -15.675 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.756 -9.811 -15.169 1.00 0.00 H new ATOM 0 HD23 LEU A 85 4.798 -10.692 -14.027 1.00 0.00 H new ATOM 1324 N LEU A 86 4.259 -9.540 -11.250 1.00 0.00 N ATOM 1325 CA LEU A 86 5.577 -8.958 -11.007 1.00 0.00 C ATOM 1326 C LEU A 86 5.778 -8.657 -9.522 1.00 0.00 C ATOM 1327 O LEU A 86 5.380 -7.597 -9.035 1.00 0.00 O ATOM 1328 CB LEU A 86 5.759 -7.674 -11.827 1.00 0.00 C ATOM 1329 CG LEU A 86 5.297 -7.755 -13.285 1.00 0.00 C ATOM 1330 CD1 LEU A 86 3.856 -7.283 -13.418 1.00 0.00 C ATOM 1331 CD2 LEU A 86 6.212 -6.935 -14.182 1.00 0.00 C ATOM 0 H LEU A 86 3.485 -8.883 -11.156 1.00 0.00 H new ATOM 0 HA LEU A 86 6.325 -9.687 -11.318 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.214 -6.868 -11.335 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.814 -7.400 -11.812 1.00 0.00 H new ATOM 0 HG LEU A 86 5.347 -8.797 -13.602 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.547 -7.348 -14.461 1.00 0.00 H new ATOM 0 HD12 LEU A 86 3.209 -7.913 -12.808 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.779 -6.249 -13.081 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.868 -7.005 -15.214 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.195 -5.893 -13.864 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.230 -7.319 -14.112 1.00 0.00 H new ATOM 1343 N ASN A 87 6.406 -9.592 -8.808 1.00 0.00 N ATOM 1344 CA ASN A 87 6.669 -9.424 -7.380 1.00 0.00 C ATOM 1345 C ASN A 87 7.908 -8.566 -7.150 1.00 0.00 C ATOM 1346 O ASN A 87 8.027 -7.910 -6.115 1.00 0.00 O ATOM 1347 CB ASN A 87 6.840 -10.782 -6.691 1.00 0.00 C ATOM 1348 CG ASN A 87 6.377 -10.760 -5.246 1.00 0.00 C ATOM 1349 OD1 ASN A 87 5.379 -11.389 -4.892 1.00 0.00 O ATOM 1350 ND2 ASN A 87 7.103 -10.035 -4.400 1.00 0.00 N ATOM 0 H ASN A 87 6.742 -10.473 -9.196 1.00 0.00 H new ATOM 0 HA ASN A 87 5.808 -8.917 -6.945 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.277 -11.538 -7.239 1.00 0.00 H new ATOM 0 HB3 ASN A 87 7.889 -11.076 -6.729 1.00 0.00 H new ATOM 0 HD21 ASN A 87 6.840 -9.985 -3.416 1.00 0.00 H new ATOM 0 HD22 ASN A 87 7.923 -9.529 -4.735 1.00 0.00 H new ATOM 1357 N MET A 88 8.822 -8.562 -8.120 1.00 0.00 N ATOM 1358 CA MET A 88 10.039 -7.761 -8.017 1.00 0.00 C ATOM 1359 C MET A 88 9.693 -6.275 -7.880 1.00 0.00 C ATOM 1360 O MET A 88 10.509 -5.481 -7.410 1.00 0.00 O ATOM 1361 CB MET A 88 10.931 -7.985 -9.243 1.00 0.00 C ATOM 1362 CG MET A 88 11.902 -9.148 -9.095 1.00 0.00 C ATOM 1363 SD MET A 88 11.069 -10.735 -8.888 1.00 0.00 S ATOM 1364 CE MET A 88 12.437 -11.871 -9.115 1.00 0.00 C ATOM 0 H MET A 88 8.743 -9.102 -8.982 1.00 0.00 H new ATOM 0 HA MET A 88 10.583 -8.075 -7.126 1.00 0.00 H new ATOM 0 HB2 MET A 88 10.298 -8.161 -10.113 1.00 0.00 H new ATOM 0 HB3 MET A 88 11.497 -7.075 -9.439 1.00 0.00 H new ATOM 0 HG2 MET A 88 12.545 -9.193 -9.974 1.00 0.00 H new ATOM 0 HG3 MET A 88 12.549 -8.968 -8.236 1.00 0.00 H new ATOM 0 HE1 MET A 88 12.079 -12.896 -9.016 1.00 0.00 H new ATOM 0 HE2 MET A 88 12.866 -11.731 -10.107 1.00 0.00 H new ATOM 0 HE3 MET A 88 13.199 -11.678 -8.360 1.00 0.00 H new ATOM 1374 N GLU A 89 8.474 -5.907 -8.294 1.00 0.00 N ATOM 1375 CA GLU A 89 8.018 -4.519 -8.215 1.00 0.00 C ATOM 1376 C GLU A 89 7.488 -4.159 -6.832 1.00 0.00 C ATOM 1377 O GLU A 89 7.171 -2.994 -6.580 1.00 0.00 O ATOM 1378 CB GLU A 89 6.955 -4.246 -9.282 1.00 0.00 C ATOM 1379 CG GLU A 89 6.951 -2.815 -9.798 1.00 0.00 C ATOM 1380 CD GLU A 89 7.679 -2.660 -11.122 1.00 0.00 C ATOM 1381 OE1 GLU A 89 7.509 -3.529 -12.003 1.00 0.00 O ATOM 1382 OE2 GLU A 89 8.417 -1.665 -11.277 1.00 0.00 O ATOM 0 H GLU A 89 7.789 -6.552 -8.686 1.00 0.00 H new ATOM 0 HA GLU A 89 8.885 -3.885 -8.401 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.114 -4.924 -10.121 1.00 0.00 H new ATOM 0 HB3 GLU A 89 5.973 -4.475 -8.869 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.921 -2.480 -9.915 1.00 0.00 H new ATOM 0 HG3 GLU A 89 7.416 -2.166 -9.056 1.00 0.00 H new ATOM 1389 N ASN A 90 7.432 -5.132 -5.920 1.00 0.00 N ATOM 1390 CA ASN A 90 6.990 -4.856 -4.561 1.00 0.00 C ATOM 1391 C ASN A 90 7.836 -3.724 -3.980 1.00 0.00 C ATOM 1392 O ASN A 90 7.377 -2.967 -3.122 1.00 0.00 O ATOM 1393 CB ASN A 90 7.121 -6.104 -3.684 1.00 0.00 C ATOM 1394 CG ASN A 90 5.911 -6.332 -2.798 1.00 0.00 C ATOM 1395 OD1 ASN A 90 5.417 -7.453 -2.686 1.00 0.00 O ATOM 1396 ND2 ASN A 90 5.422 -5.270 -2.165 1.00 0.00 N ATOM 0 H ASN A 90 7.685 -6.104 -6.099 1.00 0.00 H new ATOM 0 HA ASN A 90 5.941 -4.562 -4.583 1.00 0.00 H new ATOM 0 HB2 ASN A 90 7.268 -6.976 -4.321 1.00 0.00 H new ATOM 0 HB3 ASN A 90 8.010 -6.012 -3.060 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.607 -5.368 -1.559 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.862 -4.357 -2.285 1.00 0.00 H new ATOM 1403 N TYR A 91 9.080 -3.622 -4.476 1.00 0.00 N ATOM 1404 CA TYR A 91 10.025 -2.601 -4.049 1.00 0.00 C ATOM 1405 C TYR A 91 10.016 -2.430 -2.536 1.00 0.00 C ATOM 1406 O TYR A 91 10.164 -1.323 -2.012 1.00 0.00 O ATOM 1407 CB TYR A 91 9.740 -1.285 -4.772 1.00 0.00 C ATOM 1408 CG TYR A 91 10.896 -0.312 -4.724 1.00 0.00 C ATOM 1409 CD1 TYR A 91 12.105 -0.625 -5.327 1.00 0.00 C ATOM 1410 CD2 TYR A 91 10.781 0.910 -4.075 1.00 0.00 C ATOM 1411 CE1 TYR A 91 13.169 0.250 -5.286 1.00 0.00 C ATOM 1412 CE2 TYR A 91 11.843 1.794 -4.030 1.00 0.00 C ATOM 1413 CZ TYR A 91 13.036 1.460 -4.637 1.00 0.00 C ATOM 1414 OH TYR A 91 14.097 2.336 -4.592 1.00 0.00 O ATOM 0 H TYR A 91 9.451 -4.252 -5.187 1.00 0.00 H new ATOM 0 HA TYR A 91 11.030 -2.925 -4.320 1.00 0.00 H new ATOM 0 HB2 TYR A 91 9.495 -1.496 -5.813 1.00 0.00 H new ATOM 0 HB3 TYR A 91 8.862 -0.817 -4.327 1.00 0.00 H new ATOM 0 HD1 TYR A 91 12.215 -1.570 -5.837 1.00 0.00 H new ATOM 0 HD2 TYR A 91 9.848 1.174 -3.598 1.00 0.00 H new ATOM 0 HE1 TYR A 91 14.104 -0.011 -5.760 1.00 0.00 H new ATOM 0 HE2 TYR A 91 11.739 2.741 -3.522 1.00 0.00 H new ATOM 0 HH TYR A 91 13.836 3.141 -4.098 1.00 0.00 H new ATOM 1424 N LEU A 92 9.856 -3.552 -1.846 1.00 0.00 N ATOM 1425 CA LEU A 92 9.846 -3.561 -0.389 1.00 0.00 C ATOM 1426 C LEU A 92 11.257 -3.355 0.159 1.00 0.00 C ATOM 1427 O LEU A 92 12.226 -3.880 -0.394 1.00 0.00 O ATOM 1428 CB LEU A 92 9.264 -4.873 0.150 1.00 0.00 C ATOM 1429 CG LEU A 92 9.835 -6.158 -0.463 1.00 0.00 C ATOM 1430 CD1 LEU A 92 10.804 -6.825 0.503 1.00 0.00 C ATOM 1431 CD2 LEU A 92 8.713 -7.116 -0.839 1.00 0.00 C ATOM 0 H LEU A 92 9.731 -4.470 -2.273 1.00 0.00 H new ATOM 0 HA LEU A 92 9.212 -2.739 -0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.425 -4.904 1.228 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.186 -4.864 -0.011 1.00 0.00 H new ATOM 0 HG LEU A 92 10.379 -5.893 -1.370 1.00 0.00 H new ATOM 0 HD11 LEU A 92 11.199 -7.735 0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.625 -6.143 0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.282 -7.075 1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.138 -8.022 -1.272 1.00 0.00 H new ATOM 0 HD22 LEU A 92 8.141 -7.374 0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.056 -6.639 -1.567 1.00 0.00 H new ATOM 1443 N VAL A 93 11.364 -2.591 1.245 1.00 0.00 N ATOM 1444 CA VAL A 93 12.655 -2.314 1.872 1.00 0.00 C ATOM 1445 C VAL A 93 13.014 -3.410 2.874 1.00 0.00 C ATOM 1446 O VAL A 93 12.400 -3.514 3.940 1.00 0.00 O ATOM 1447 CB VAL A 93 12.655 -0.943 2.585 1.00 0.00 C ATOM 1448 CG1 VAL A 93 14.058 -0.576 3.045 1.00 0.00 C ATOM 1449 CG2 VAL A 93 12.089 0.139 1.673 1.00 0.00 C ATOM 0 H VAL A 93 10.569 -2.152 1.710 1.00 0.00 H new ATOM 0 HA VAL A 93 13.402 -2.291 1.079 1.00 0.00 H new ATOM 0 HB VAL A 93 12.015 -1.017 3.465 1.00 0.00 H new ATOM 0 HG11 VAL A 93 14.035 0.393 3.544 1.00 0.00 H new ATOM 0 HG12 VAL A 93 14.423 -1.333 3.739 1.00 0.00 H new ATOM 0 HG13 VAL A 93 14.722 -0.524 2.182 1.00 0.00 H new ATOM 0 HG21 VAL A 93 12.098 1.096 2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 93 12.698 0.211 0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 93 11.065 -0.115 1.399 1.00 0.00 H new ATOM 1459 N PRO A 94 14.011 -4.256 2.537 1.00 0.00 N ATOM 1460 CA PRO A 94 14.450 -5.359 3.395 1.00 0.00 C ATOM 1461 C PRO A 94 15.482 -4.930 4.438 1.00 0.00 C ATOM 1462 O PRO A 94 16.498 -4.318 4.103 1.00 0.00 O ATOM 1463 CB PRO A 94 15.076 -6.320 2.389 1.00 0.00 C ATOM 1464 CG PRO A 94 15.667 -5.433 1.348 1.00 0.00 C ATOM 1465 CD PRO A 94 14.785 -4.211 1.278 1.00 0.00 C ATOM 0 HA PRO A 94 13.632 -5.779 3.981 1.00 0.00 H new ATOM 0 HB2 PRO A 94 15.837 -6.945 2.857 1.00 0.00 H new ATOM 0 HB3 PRO A 94 14.330 -6.991 1.963 1.00 0.00 H new ATOM 0 HG2 PRO A 94 16.690 -5.159 1.606 1.00 0.00 H new ATOM 0 HG3 PRO A 94 15.706 -5.939 0.383 1.00 0.00 H new ATOM 0 HD2 PRO A 94 15.374 -3.297 1.204 1.00 0.00 H new ATOM 0 HD3 PRO A 94 14.131 -4.240 0.406 1.00 0.00 H new ATOM 1473 N TYR A 95 15.217 -5.263 5.702 1.00 0.00 N ATOM 1474 CA TYR A 95 16.125 -4.919 6.795 1.00 0.00 C ATOM 1475 C TYR A 95 15.892 -5.814 8.013 1.00 0.00 C ATOM 1476 O TYR A 95 15.085 -5.496 8.888 1.00 0.00 O ATOM 1477 CB TYR A 95 15.960 -3.448 7.188 1.00 0.00 C ATOM 1478 CG TYR A 95 16.846 -2.506 6.407 1.00 0.00 C ATOM 1479 CD1 TYR A 95 18.229 -2.566 6.522 1.00 0.00 C ATOM 1480 CD2 TYR A 95 16.299 -1.556 5.556 1.00 0.00 C ATOM 1481 CE1 TYR A 95 19.042 -1.707 5.808 1.00 0.00 C ATOM 1482 CE2 TYR A 95 17.103 -0.694 4.838 1.00 0.00 C ATOM 1483 CZ TYR A 95 18.473 -0.772 4.969 1.00 0.00 C ATOM 1484 OH TYR A 95 19.278 0.087 4.258 1.00 0.00 O ATOM 0 H TYR A 95 14.381 -5.770 5.993 1.00 0.00 H new ATOM 0 HA TYR A 95 17.143 -5.081 6.442 1.00 0.00 H new ATOM 0 HB2 TYR A 95 14.919 -3.157 7.043 1.00 0.00 H new ATOM 0 HB3 TYR A 95 16.177 -3.339 8.251 1.00 0.00 H new ATOM 0 HD1 TYR A 95 18.676 -3.296 7.180 1.00 0.00 H new ATOM 0 HD2 TYR A 95 15.226 -1.490 5.454 1.00 0.00 H new ATOM 0 HE1 TYR A 95 20.116 -1.767 5.906 1.00 0.00 H new ATOM 0 HE2 TYR A 95 16.661 0.037 4.177 1.00 0.00 H new ATOM 0 HH TYR A 95 18.721 0.682 3.714 1.00 0.00 H new ATOM 1494 N ASP A 96 16.616 -6.932 8.062 1.00 0.00 N ATOM 1495 CA ASP A 96 16.505 -7.873 9.171 1.00 0.00 C ATOM 1496 C ASP A 96 17.790 -7.871 10.000 1.00 0.00 C ATOM 1497 O ASP A 96 18.655 -8.735 9.834 1.00 0.00 O ATOM 1498 CB ASP A 96 16.205 -9.284 8.648 1.00 0.00 C ATOM 1499 CG ASP A 96 15.408 -10.120 9.635 1.00 0.00 C ATOM 1500 OD1 ASP A 96 14.435 -9.595 10.218 1.00 0.00 O ATOM 1501 OD2 ASP A 96 15.756 -11.306 9.821 1.00 0.00 O ATOM 0 H ASP A 96 17.286 -7.207 7.344 1.00 0.00 H new ATOM 0 HA ASP A 96 15.680 -7.560 9.811 1.00 0.00 H new ATOM 0 HB2 ASP A 96 15.652 -9.210 7.712 1.00 0.00 H new ATOM 0 HB3 ASP A 96 17.144 -9.791 8.424 1.00 0.00 H new ATOM 1506 N ASN A 97 17.908 -6.884 10.885 1.00 0.00 N ATOM 1507 CA ASN A 97 19.086 -6.743 11.740 1.00 0.00 C ATOM 1508 C ASN A 97 19.185 -7.884 12.754 1.00 0.00 C ATOM 1509 O ASN A 97 20.321 -8.227 13.143 1.00 0.00 O ATOM 1510 CB ASN A 97 19.046 -5.397 12.471 1.00 0.00 C ATOM 1511 CG ASN A 97 19.806 -4.310 11.732 1.00 0.00 C ATOM 1512 OD1 ASN A 97 19.720 -4.196 10.508 1.00 0.00 O ATOM 1513 ND2 ASN A 97 20.560 -3.504 12.471 1.00 0.00 N ATOM 0 H ASN A 97 17.198 -6.166 11.030 1.00 0.00 H new ATOM 0 HA ASN A 97 19.968 -6.785 11.101 1.00 0.00 H new ATOM 0 HB2 ASN A 97 18.009 -5.088 12.599 1.00 0.00 H new ATOM 0 HB3 ASN A 97 19.468 -5.517 13.469 1.00 0.00 H new ATOM 0 HD21 ASN A 97 21.095 -2.757 12.027 1.00 0.00 H new ATOM 0 HD22 ASN A 97 20.604 -3.632 13.482 1.00 0.00 H new TER 1520 ASN A 97