USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 577 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 Single : A 4 THR OG1 : rot -22:sc= 0.415 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -8.55! C(o=-8.6!,f=-6!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -135:sc= -3.2! (180deg=-5.66!) USER MOD Single : A 18 TYR OH : rot 180:sc= -1.07 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -25:sc= 0.148 USER MOD Single : A 37 ASN : amide:sc= -0.105 K(o=-0.11,f=-1.1) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.705 USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS : no HD1:sc= -2.59! C(o=-2.6!,f=-4.3!) USER MOD Single : A 44 SER OG : rot 180:sc= -0.0474 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot -76:sc= -1.32 USER MOD Single : A 63 GLN : amide:sc= -0.0892 K(o=-0.089,f=-5.2!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 60:sc= 1.21 USER MOD Single : A 68 HIS : no HD1:sc= -0.0453 X(o=-0.045,f=-0.025) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.571 K(o=-0.57,f=-0.069) USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 48 N THR A 4 1.238 3.472 -9.423 1.00 44.31 N ATOM 49 CA THR A 4 1.328 4.286 -10.629 1.00 61.41 C ATOM 50 C THR A 4 0.319 3.829 -11.677 1.00 1.15 C ATOM 51 O THR A 4 -0.264 2.750 -11.562 1.00 4.33 O ATOM 52 CB THR A 4 2.742 4.234 -11.238 1.00 21.41 C ATOM 53 OG1 THR A 4 3.285 2.915 -11.105 1.00 15.12 O ATOM 54 CG2 THR A 4 3.661 5.237 -10.558 1.00 24.34 C ATOM 0 HA THR A 4 1.104 5.312 -10.335 1.00 61.41 H new ATOM 0 HB THR A 4 2.668 4.491 -12.295 1.00 21.41 H new ATOM 0 HG1 THR A 4 2.823 2.443 -10.381 1.00 15.12 H new ATOM 0 HG21 THR A 4 4.654 5.182 -11.005 1.00 24.34 H new ATOM 0 HG22 THR A 4 3.261 6.243 -10.686 1.00 24.34 H new ATOM 0 HG23 THR A 4 3.728 5.006 -9.495 1.00 24.34 H new ATOM 62 N ILE A 5 0.118 4.656 -12.697 1.00 73.31 N ATOM 63 CA ILE A 5 -0.820 4.335 -13.766 1.00 31.22 C ATOM 64 C ILE A 5 -0.279 3.222 -14.656 1.00 63.35 C ATOM 65 O ILE A 5 0.860 2.781 -14.496 1.00 4.44 O ATOM 66 CB ILE A 5 -1.127 5.569 -14.635 1.00 30.22 C ATOM 67 CG1 ILE A 5 -0.030 5.768 -15.682 1.00 63.44 C ATOM 68 CG2 ILE A 5 -1.266 6.808 -13.764 1.00 14.50 C ATOM 69 CD1 ILE A 5 1.358 5.877 -15.091 1.00 21.24 C ATOM 0 H ILE A 5 0.592 5.553 -12.806 1.00 73.31 H new ATOM 0 HA ILE A 5 -1.740 4.000 -13.288 1.00 31.22 H new ATOM 0 HB ILE A 5 -2.072 5.405 -15.153 1.00 30.22 H new ATOM 0 HG12 ILE A 5 -0.053 4.934 -16.383 1.00 63.44 H new ATOM 0 HG13 ILE A 5 -0.244 6.671 -16.254 1.00 63.44 H new ATOM 0 HG21 ILE A 5 -1.483 7.672 -14.392 1.00 14.50 H new ATOM 0 HG22 ILE A 5 -2.079 6.663 -13.053 1.00 14.50 H new ATOM 0 HG23 ILE A 5 -0.336 6.978 -13.222 1.00 14.50 H new ATOM 0 HD11 ILE A 5 2.084 6.017 -15.892 1.00 21.24 H new ATOM 0 HD12 ILE A 5 1.398 6.728 -14.412 1.00 21.24 H new ATOM 0 HD13 ILE A 5 1.593 4.964 -14.543 1.00 21.24 H new ATOM 81 N LEU A 6 -1.101 2.772 -15.597 1.00 74.43 N ATOM 82 CA LEU A 6 -0.705 1.710 -16.516 1.00 51.34 C ATOM 83 C LEU A 6 -1.376 1.888 -17.875 1.00 24.11 C ATOM 84 O LEU A 6 -0.742 1.726 -18.917 1.00 74.51 O ATOM 85 CB LEU A 6 -1.064 0.343 -15.933 1.00 20.33 C ATOM 86 CG LEU A 6 -0.122 -0.808 -16.290 1.00 52.31 C ATOM 87 CD1 LEU A 6 0.614 -1.298 -15.053 1.00 64.44 C ATOM 88 CD2 LEU A 6 -0.894 -1.947 -16.940 1.00 53.43 C ATOM 0 H LEU A 6 -2.046 3.126 -15.744 1.00 74.43 H new ATOM 0 HA LEU A 6 0.375 1.767 -16.654 1.00 51.34 H new ATOM 0 HB2 LEU A 6 -1.101 0.432 -14.847 1.00 20.33 H new ATOM 0 HB3 LEU A 6 -2.068 0.081 -16.266 1.00 20.33 H new ATOM 0 HG LEU A 6 0.615 -0.441 -17.005 1.00 52.31 H new ATOM 0 HD11 LEU A 6 1.280 -2.117 -15.326 1.00 64.44 H new ATOM 0 HD12 LEU A 6 1.199 -0.481 -14.630 1.00 64.44 H new ATOM 0 HD13 LEU A 6 -0.108 -1.648 -14.315 1.00 64.44 H new ATOM 0 HD21 LEU A 6 -0.208 -2.757 -17.187 1.00 53.43 H new ATOM 0 HD22 LEU A 6 -1.653 -2.313 -16.249 1.00 53.43 H new ATOM 0 HD23 LEU A 6 -1.375 -1.588 -17.850 1.00 53.43 H new ATOM 100 N GLY A 7 -2.662 2.225 -17.855 1.00 62.20 N ATOM 101 CA GLY A 7 -3.396 2.421 -19.091 1.00 54.11 C ATOM 102 C GLY A 7 -3.983 3.815 -19.202 1.00 22.51 C ATOM 103 O GLY A 7 -4.204 4.484 -18.192 1.00 45.13 O ATOM 0 H GLY A 7 -3.208 2.366 -17.005 1.00 62.20 H new ATOM 0 HA2 GLY A 7 -2.732 2.241 -19.937 1.00 54.11 H new ATOM 0 HA3 GLY A 7 -4.199 1.686 -19.154 1.00 54.11 H new ATOM 107 N ILE A 8 -4.234 4.253 -20.431 1.00 31.13 N ATOM 108 CA ILE A 8 -4.798 5.576 -20.669 1.00 24.11 C ATOM 109 C ILE A 8 -6.022 5.497 -21.575 1.00 45.11 C ATOM 110 O ILE A 8 -6.066 4.692 -22.505 1.00 12.31 O ATOM 111 CB ILE A 8 -3.762 6.523 -21.304 1.00 74.34 C ATOM 112 CG1 ILE A 8 -4.324 7.943 -21.391 1.00 51.34 C ATOM 113 CG2 ILE A 8 -3.362 6.020 -22.683 1.00 44.44 C ATOM 114 CD1 ILE A 8 -5.001 8.246 -22.710 1.00 64.00 C ATOM 0 H ILE A 8 -4.056 3.712 -21.277 1.00 31.13 H new ATOM 0 HA ILE A 8 -5.094 5.973 -19.698 1.00 24.11 H new ATOM 0 HB ILE A 8 -2.873 6.542 -20.673 1.00 74.34 H new ATOM 0 HG12 ILE A 8 -5.039 8.092 -20.582 1.00 51.34 H new ATOM 0 HG13 ILE A 8 -3.514 8.656 -21.236 1.00 51.34 H new ATOM 0 HG21 ILE A 8 -2.630 6.699 -23.120 1.00 44.44 H new ATOM 0 HG22 ILE A 8 -2.927 5.025 -22.595 1.00 44.44 H new ATOM 0 HG23 ILE A 8 -4.243 5.976 -23.324 1.00 44.44 H new ATOM 0 HD11 ILE A 8 -5.375 9.270 -22.700 1.00 64.00 H new ATOM 0 HD12 ILE A 8 -4.284 8.130 -23.522 1.00 64.00 H new ATOM 0 HD13 ILE A 8 -5.833 7.557 -22.859 1.00 64.00 H new ATOM 126 N GLU A 9 -7.012 6.339 -21.298 1.00 2.52 N ATOM 127 CA GLU A 9 -8.236 6.365 -22.089 1.00 52.23 C ATOM 128 C GLU A 9 -8.646 7.800 -22.410 1.00 74.44 C ATOM 129 O GLU A 9 -8.786 8.633 -21.515 1.00 24.32 O ATOM 130 CB GLU A 9 -9.367 5.655 -21.343 1.00 73.42 C ATOM 131 CG GLU A 9 -9.992 4.513 -22.128 1.00 43.44 C ATOM 132 CD GLU A 9 -11.456 4.307 -21.793 1.00 51.33 C ATOM 133 OE1 GLU A 9 -11.785 4.242 -20.590 1.00 72.13 O ATOM 134 OE2 GLU A 9 -12.273 4.211 -22.733 1.00 44.11 O ATOM 0 H GLU A 9 -6.990 7.012 -20.532 1.00 2.52 H new ATOM 0 HA GLU A 9 -8.044 5.842 -23.026 1.00 52.23 H new ATOM 0 HB2 GLU A 9 -8.982 5.268 -20.400 1.00 73.42 H new ATOM 0 HB3 GLU A 9 -10.141 6.382 -21.097 1.00 73.42 H new ATOM 0 HG2 GLU A 9 -9.892 4.713 -23.195 1.00 43.44 H new ATOM 0 HG3 GLU A 9 -9.444 3.594 -21.923 1.00 43.44 H new ATOM 141 N VAL A 10 -8.838 8.080 -23.695 1.00 50.55 N ATOM 142 CA VAL A 10 -9.233 9.413 -24.136 1.00 43.11 C ATOM 143 C VAL A 10 -10.700 9.683 -23.825 1.00 35.35 C ATOM 144 O VAL A 10 -11.572 8.875 -24.144 1.00 72.51 O ATOM 145 CB VAL A 10 -8.998 9.597 -25.647 1.00 42.12 C ATOM 146 CG1 VAL A 10 -9.719 8.515 -26.436 1.00 34.24 C ATOM 147 CG2 VAL A 10 -9.447 10.981 -26.091 1.00 72.12 C ATOM 0 H VAL A 10 -8.727 7.402 -24.449 1.00 50.55 H new ATOM 0 HA VAL A 10 -8.612 10.123 -23.590 1.00 43.11 H new ATOM 0 HB VAL A 10 -7.930 9.506 -25.844 1.00 42.12 H new ATOM 0 HG11 VAL A 10 -9.541 8.662 -27.501 1.00 34.24 H new ATOM 0 HG12 VAL A 10 -9.344 7.536 -26.137 1.00 34.24 H new ATOM 0 HG13 VAL A 10 -10.789 8.571 -26.236 1.00 34.24 H new ATOM 0 HG21 VAL A 10 -9.274 11.094 -27.161 1.00 72.12 H new ATOM 0 HG22 VAL A 10 -10.509 11.104 -25.880 1.00 72.12 H new ATOM 0 HG23 VAL A 10 -8.880 11.738 -25.550 1.00 72.12 H new ATOM 157 N SER A 11 -10.967 10.825 -23.199 1.00 22.21 N ATOM 158 CA SER A 11 -12.330 11.200 -22.841 1.00 5.44 C ATOM 159 C SER A 11 -12.512 12.714 -22.909 1.00 23.44 C ATOM 160 O SER A 11 -13.391 13.273 -22.254 1.00 5.14 O ATOM 161 CB SER A 11 -12.667 10.697 -21.436 1.00 11.32 C ATOM 162 OG SER A 11 -13.926 10.047 -21.416 1.00 30.01 O ATOM 0 H SER A 11 -10.257 11.506 -22.929 1.00 22.21 H new ATOM 0 HA SER A 11 -13.009 10.737 -23.557 1.00 5.44 H new ATOM 0 HB2 SER A 11 -11.893 10.008 -21.097 1.00 11.32 H new ATOM 0 HB3 SER A 11 -12.675 11.535 -20.739 1.00 11.32 H new ATOM 0 HG SER A 11 -14.118 9.733 -20.508 1.00 30.01 H new ATOM 168 N GLN A 12 -11.674 13.369 -23.706 1.00 72.21 N ATOM 169 CA GLN A 12 -11.742 14.817 -23.859 1.00 41.35 C ATOM 170 C GLN A 12 -12.695 15.201 -24.987 1.00 1.34 C ATOM 171 O GLN A 12 -12.611 14.667 -26.092 1.00 21.54 O ATOM 172 CB GLN A 12 -10.350 15.388 -24.136 1.00 62.40 C ATOM 173 CG GLN A 12 -9.631 14.706 -25.289 1.00 21.31 C ATOM 174 CD GLN A 12 -8.478 13.838 -24.826 1.00 24.43 C ATOM 175 OE1 GLN A 12 -8.419 13.431 -23.665 1.00 5.22 O ATOM 176 NE2 GLN A 12 -7.553 13.548 -25.733 1.00 45.13 N ATOM 0 H GLN A 12 -10.941 12.920 -24.255 1.00 72.21 H new ATOM 0 HA GLN A 12 -12.121 15.238 -22.928 1.00 41.35 H new ATOM 0 HB2 GLN A 12 -10.440 16.452 -24.353 1.00 62.40 H new ATOM 0 HB3 GLN A 12 -9.743 15.297 -23.235 1.00 62.40 H new ATOM 0 HG2 GLN A 12 -10.342 14.094 -25.844 1.00 21.31 H new ATOM 0 HG3 GLN A 12 -9.257 15.463 -25.978 1.00 21.31 H new ATOM 0 HE21 GLN A 12 -7.641 13.906 -26.684 1.00 45.13 H new ATOM 0 HE22 GLN A 12 -6.754 12.967 -25.479 1.00 45.13 H new ATOM 185 N GLU A 13 -13.600 16.131 -24.698 1.00 54.15 N ATOM 186 CA GLU A 13 -14.570 16.585 -25.689 1.00 2.04 C ATOM 187 C GLU A 13 -14.225 17.986 -26.185 1.00 14.55 C ATOM 188 O GLU A 13 -13.587 18.778 -25.491 1.00 12.42 O ATOM 189 CB GLU A 13 -15.980 16.574 -25.096 1.00 55.11 C ATOM 190 CG GLU A 13 -16.639 15.205 -25.118 1.00 55.23 C ATOM 191 CD GLU A 13 -18.070 15.238 -24.616 1.00 40.14 C ATOM 192 OE1 GLU A 13 -18.476 16.276 -24.053 1.00 35.13 O ATOM 193 OE2 GLU A 13 -18.783 14.227 -24.787 1.00 4.12 O ATOM 0 H GLU A 13 -13.682 16.584 -23.788 1.00 54.15 H new ATOM 0 HA GLU A 13 -14.535 15.900 -26.536 1.00 2.04 H new ATOM 0 HB2 GLU A 13 -15.935 16.930 -24.067 1.00 55.11 H new ATOM 0 HB3 GLU A 13 -16.603 17.277 -25.649 1.00 55.11 H new ATOM 0 HG2 GLU A 13 -16.624 14.815 -26.136 1.00 55.23 H new ATOM 0 HG3 GLU A 13 -16.058 14.516 -24.504 1.00 55.23 H new ATOM 200 N PRO A 14 -14.657 18.301 -27.415 1.00 31.01 N ATOM 201 CA PRO A 14 -14.407 19.607 -28.032 1.00 24.11 C ATOM 202 C PRO A 14 -15.197 20.726 -27.362 1.00 71.32 C ATOM 203 O PRO A 14 -16.404 20.605 -27.148 1.00 5.53 O ATOM 204 CB PRO A 14 -14.874 19.412 -29.476 1.00 54.24 C ATOM 205 CG PRO A 14 -15.881 18.316 -29.404 1.00 50.42 C ATOM 206 CD PRO A 14 -15.424 17.406 -28.298 1.00 45.12 C ATOM 0 HA PRO A 14 -13.362 19.906 -27.944 1.00 24.11 H new ATOM 0 HB2 PRO A 14 -15.312 20.326 -29.877 1.00 54.24 H new ATOM 0 HB3 PRO A 14 -14.043 19.144 -30.128 1.00 54.24 H new ATOM 0 HG2 PRO A 14 -16.875 18.712 -29.198 1.00 50.42 H new ATOM 0 HG3 PRO A 14 -15.942 17.779 -30.351 1.00 50.42 H new ATOM 0 HD2 PRO A 14 -16.267 16.953 -27.776 1.00 45.12 H new ATOM 0 HD3 PRO A 14 -14.808 16.591 -28.677 1.00 45.12 H new ATOM 214 N LYS A 15 -14.510 21.815 -27.034 1.00 31.41 N ATOM 215 CA LYS A 15 -15.148 22.957 -26.390 1.00 23.11 C ATOM 216 C LYS A 15 -14.192 24.143 -26.315 1.00 44.04 C ATOM 217 O LYS A 15 -14.252 25.056 -27.140 1.00 34.44 O ATOM 218 CB LYS A 15 -15.618 22.578 -24.984 1.00 13.53 C ATOM 219 CG LYS A 15 -16.160 23.753 -24.187 1.00 74.32 C ATOM 220 CD LYS A 15 -17.374 24.370 -24.861 1.00 14.33 C ATOM 221 CE LYS A 15 -18.541 24.502 -23.894 1.00 53.10 C ATOM 222 NZ LYS A 15 -19.282 23.219 -23.740 1.00 4.20 N ATOM 0 H LYS A 15 -13.511 21.931 -27.204 1.00 31.41 H new ATOM 0 HA LYS A 15 -16.011 23.246 -26.990 1.00 23.11 H new ATOM 0 HB2 LYS A 15 -16.392 21.815 -25.062 1.00 13.53 H new ATOM 0 HB3 LYS A 15 -14.785 22.133 -24.439 1.00 13.53 H new ATOM 0 HG2 LYS A 15 -16.429 23.421 -23.184 1.00 74.32 H new ATOM 0 HG3 LYS A 15 -15.382 24.508 -24.075 1.00 74.32 H new ATOM 0 HD2 LYS A 15 -17.113 25.352 -25.254 1.00 14.33 H new ATOM 0 HD3 LYS A 15 -17.672 23.755 -25.710 1.00 14.33 H new ATOM 0 HE2 LYS A 15 -18.172 24.827 -22.921 1.00 53.10 H new ATOM 0 HE3 LYS A 15 -19.222 25.274 -24.251 1.00 53.10 H new ATOM 0 HZ1 LYS A 15 -20.069 23.351 -23.073 1.00 4.20 H new ATOM 0 HZ2 LYS A 15 -19.656 22.921 -24.663 1.00 4.20 H new ATOM 0 HZ3 LYS A 15 -18.638 22.488 -23.376 1.00 4.20 H new ATOM 236 N LYS A 16 -13.308 24.123 -25.323 1.00 42.44 N ATOM 237 CA LYS A 16 -12.336 25.195 -25.142 1.00 53.42 C ATOM 238 C LYS A 16 -13.008 26.561 -25.244 1.00 44.25 C ATOM 239 O LYS A 16 -12.624 27.392 -26.068 1.00 5.13 O ATOM 240 CB LYS A 16 -11.222 25.084 -26.185 1.00 72.55 C ATOM 241 CG LYS A 16 -10.797 23.654 -26.470 1.00 63.51 C ATOM 242 CD LYS A 16 -9.292 23.484 -26.345 1.00 20.05 C ATOM 243 CE LYS A 16 -8.887 23.134 -24.921 1.00 34.32 C ATOM 244 NZ LYS A 16 -7.496 22.607 -24.853 1.00 73.32 N ATOM 0 H LYS A 16 -13.245 23.376 -24.632 1.00 42.44 H new ATOM 0 HA LYS A 16 -11.904 25.095 -24.146 1.00 53.42 H new ATOM 0 HB2 LYS A 16 -11.557 25.547 -27.113 1.00 72.55 H new ATOM 0 HB3 LYS A 16 -10.356 25.650 -25.841 1.00 72.55 H new ATOM 0 HG2 LYS A 16 -11.299 22.979 -25.777 1.00 63.51 H new ATOM 0 HG3 LYS A 16 -11.114 23.373 -27.474 1.00 63.51 H new ATOM 0 HD2 LYS A 16 -8.956 22.700 -27.023 1.00 20.05 H new ATOM 0 HD3 LYS A 16 -8.794 24.404 -26.650 1.00 20.05 H new ATOM 0 HE2 LYS A 16 -8.971 24.020 -24.292 1.00 34.32 H new ATOM 0 HE3 LYS A 16 -9.577 22.391 -24.520 1.00 34.32 H new ATOM 0 HZ1 LYS A 16 -7.473 21.767 -24.241 1.00 73.32 H new ATOM 0 HZ2 LYS A 16 -7.176 22.349 -25.808 1.00 73.32 H new ATOM 0 HZ3 LYS A 16 -6.867 23.337 -24.463 1.00 73.32 H new ATOM 258 N ASP A 17 -14.010 26.787 -24.403 1.00 34.21 N ATOM 259 CA ASP A 17 -14.733 28.053 -24.397 1.00 14.21 C ATOM 260 C ASP A 17 -14.473 28.821 -23.105 1.00 12.51 C ATOM 261 O ASP A 17 -14.755 28.331 -22.012 1.00 35.25 O ATOM 262 CB ASP A 17 -16.234 27.809 -24.567 1.00 3.25 C ATOM 263 CG ASP A 17 -16.842 27.095 -23.376 1.00 14.13 C ATOM 264 OD1 ASP A 17 -16.140 26.268 -22.757 1.00 31.00 O ATOM 265 OD2 ASP A 17 -18.021 27.364 -23.062 1.00 24.01 O ATOM 0 H ASP A 17 -14.341 26.110 -23.716 1.00 34.21 H new ATOM 0 HA ASP A 17 -14.373 28.652 -25.233 1.00 14.21 H new ATOM 0 HB2 ASP A 17 -16.740 28.763 -24.712 1.00 3.25 H new ATOM 0 HB3 ASP A 17 -16.404 27.218 -25.467 1.00 3.25 H new ATOM 270 N TYR A 18 -13.933 30.027 -23.239 1.00 2.54 N ATOM 271 CA TYR A 18 -13.631 30.862 -22.082 1.00 11.32 C ATOM 272 C TYR A 18 -14.144 32.284 -22.287 1.00 53.24 C ATOM 273 O TYR A 18 -14.123 32.810 -23.401 1.00 72.22 O ATOM 274 CB TYR A 18 -12.124 30.885 -21.822 1.00 21.30 C ATOM 275 CG TYR A 18 -11.411 29.634 -22.283 1.00 72.44 C ATOM 276 CD1 TYR A 18 -11.788 28.382 -21.811 1.00 43.04 C ATOM 277 CD2 TYR A 18 -10.361 29.703 -23.190 1.00 61.32 C ATOM 278 CE1 TYR A 18 -11.139 27.236 -22.230 1.00 11.15 C ATOM 279 CE2 TYR A 18 -9.708 28.562 -23.615 1.00 43.10 C ATOM 280 CZ TYR A 18 -10.100 27.331 -23.132 1.00 12.33 C ATOM 281 OH TYR A 18 -9.451 26.193 -23.551 1.00 60.23 O ATOM 0 H TYR A 18 -13.695 30.448 -24.137 1.00 2.54 H new ATOM 0 HA TYR A 18 -14.136 30.434 -21.216 1.00 11.32 H new ATOM 0 HB2 TYR A 18 -11.690 31.748 -22.327 1.00 21.30 H new ATOM 0 HB3 TYR A 18 -11.950 31.020 -20.754 1.00 21.30 H new ATOM 0 HD1 TYR A 18 -12.602 28.304 -21.105 1.00 43.04 H new ATOM 0 HD2 TYR A 18 -10.050 30.665 -23.569 1.00 61.32 H new ATOM 0 HE1 TYR A 18 -11.444 26.271 -21.853 1.00 11.15 H new ATOM 0 HE2 TYR A 18 -8.895 28.634 -24.322 1.00 43.10 H new ATOM 0 HH TYR A 18 -8.745 26.434 -24.187 1.00 60.23 H new ATOM 291 N LEU A 19 -14.604 32.902 -21.205 1.00 55.12 N ATOM 292 CA LEU A 19 -15.123 34.264 -21.264 1.00 51.34 C ATOM 293 C LEU A 19 -13.991 35.282 -21.170 1.00 13.52 C ATOM 294 O LEU A 19 -12.992 35.055 -20.487 1.00 75.41 O ATOM 295 CB LEU A 19 -16.130 34.497 -20.136 1.00 44.32 C ATOM 296 CG LEU A 19 -15.676 34.082 -18.736 1.00 53.31 C ATOM 297 CD1 LEU A 19 -15.544 35.300 -17.835 1.00 41.31 C ATOM 298 CD2 LEU A 19 -16.649 33.077 -18.137 1.00 24.41 C ATOM 0 H LEU A 19 -14.628 32.482 -20.276 1.00 55.12 H new ATOM 0 HA LEU A 19 -15.625 34.394 -22.223 1.00 51.34 H new ATOM 0 HB2 LEU A 19 -16.383 35.557 -20.115 1.00 44.32 H new ATOM 0 HB3 LEU A 19 -17.045 33.955 -20.375 1.00 44.32 H new ATOM 0 HG LEU A 19 -14.698 33.608 -18.817 1.00 53.31 H new ATOM 0 HD11 LEU A 19 -15.220 34.985 -16.843 1.00 41.31 H new ATOM 0 HD12 LEU A 19 -14.809 35.986 -18.256 1.00 41.31 H new ATOM 0 HD13 LEU A 19 -16.508 35.803 -17.759 1.00 41.31 H new ATOM 0 HD21 LEU A 19 -16.311 32.792 -17.141 1.00 24.41 H new ATOM 0 HD22 LEU A 19 -17.640 33.526 -18.069 1.00 24.41 H new ATOM 0 HD23 LEU A 19 -16.694 32.192 -18.771 1.00 24.41 H new ATOM 310 N VAL A 20 -14.155 36.408 -21.858 1.00 35.11 N ATOM 311 CA VAL A 20 -13.149 37.463 -21.849 1.00 54.11 C ATOM 312 C VAL A 20 -12.724 37.805 -20.426 1.00 14.35 C ATOM 313 O VAL A 20 -13.561 37.969 -19.539 1.00 35.51 O ATOM 314 CB VAL A 20 -13.668 38.739 -22.539 1.00 61.20 C ATOM 315 CG1 VAL A 20 -13.700 38.554 -24.049 1.00 12.25 C ATOM 316 CG2 VAL A 20 -15.045 39.108 -22.009 1.00 52.22 C ATOM 0 H VAL A 20 -14.975 36.613 -22.429 1.00 35.11 H new ATOM 0 HA VAL A 20 -12.288 37.085 -22.401 1.00 54.11 H new ATOM 0 HB VAL A 20 -12.985 39.558 -22.312 1.00 61.20 H new ATOM 0 HG11 VAL A 20 -14.069 39.465 -24.519 1.00 12.25 H new ATOM 0 HG12 VAL A 20 -12.694 38.341 -24.411 1.00 12.25 H new ATOM 0 HG13 VAL A 20 -14.360 37.723 -24.300 1.00 12.25 H new ATOM 0 HG21 VAL A 20 -15.396 40.012 -22.507 1.00 52.22 H new ATOM 0 HG22 VAL A 20 -15.741 38.292 -22.204 1.00 52.22 H new ATOM 0 HG23 VAL A 20 -14.986 39.285 -20.935 1.00 52.22 H new ATOM 326 N GLY A 21 -11.416 37.913 -20.214 1.00 11.12 N ATOM 327 CA GLY A 21 -10.902 38.236 -18.896 1.00 31.13 C ATOM 328 C GLY A 21 -10.846 37.027 -17.983 1.00 62.22 C ATOM 329 O GLY A 21 -10.675 37.162 -16.772 1.00 0.54 O ATOM 0 H GLY A 21 -10.703 37.783 -20.932 1.00 11.12 H new ATOM 0 HA2 GLY A 21 -9.903 38.661 -18.993 1.00 31.13 H new ATOM 0 HA3 GLY A 21 -11.531 39.002 -18.442 1.00 31.13 H new ATOM 333 N ASP A 22 -10.991 35.841 -18.565 1.00 14.50 N ATOM 334 CA ASP A 22 -10.957 34.603 -17.796 1.00 30.11 C ATOM 335 C ASP A 22 -9.787 33.726 -18.231 1.00 34.50 C ATOM 336 O ASP A 22 -9.292 32.906 -17.458 1.00 30.14 O ATOM 337 CB ASP A 22 -12.272 33.839 -17.960 1.00 10.25 C ATOM 338 CG ASP A 22 -12.605 32.992 -16.747 1.00 4.52 C ATOM 339 OD1 ASP A 22 -12.541 33.522 -15.617 1.00 40.14 O ATOM 340 OD2 ASP A 22 -12.929 31.800 -16.927 1.00 52.40 O ATOM 0 H ASP A 22 -11.133 35.711 -19.567 1.00 14.50 H new ATOM 0 HA ASP A 22 -10.824 34.860 -16.745 1.00 30.11 H new ATOM 0 HB2 ASP A 22 -13.081 34.548 -18.138 1.00 10.25 H new ATOM 0 HB3 ASP A 22 -12.210 33.199 -18.840 1.00 10.25 H new ATOM 345 N SER A 23 -9.352 33.903 -19.474 1.00 65.21 N ATOM 346 CA SER A 23 -8.243 33.124 -20.014 1.00 33.21 C ATOM 347 C SER A 23 -8.606 31.644 -20.089 1.00 64.34 C ATOM 348 O SER A 23 -9.769 31.269 -19.936 1.00 62.50 O ATOM 349 CB SER A 23 -6.993 33.311 -19.152 1.00 51.13 C ATOM 350 OG SER A 23 -5.850 33.548 -19.956 1.00 55.42 O ATOM 0 H SER A 23 -9.750 34.579 -20.126 1.00 65.21 H new ATOM 0 HA SER A 23 -8.037 33.482 -21.023 1.00 33.21 H new ATOM 0 HB2 SER A 23 -7.140 34.147 -18.469 1.00 51.13 H new ATOM 0 HB3 SER A 23 -6.833 32.423 -18.540 1.00 51.13 H new ATOM 0 HG SER A 23 -5.065 33.666 -19.382 1.00 55.42 H new ATOM 356 N LEU A 24 -7.602 30.807 -20.327 1.00 24.11 N ATOM 357 CA LEU A 24 -7.813 29.367 -20.423 1.00 65.41 C ATOM 358 C LEU A 24 -8.627 28.855 -19.239 1.00 50.21 C ATOM 359 O LEU A 24 -8.540 29.393 -18.135 1.00 33.52 O ATOM 360 CB LEU A 24 -6.469 28.638 -20.486 1.00 32.45 C ATOM 361 CG LEU A 24 -6.132 27.965 -21.817 1.00 22.04 C ATOM 362 CD1 LEU A 24 -4.669 27.550 -21.849 1.00 50.24 C ATOM 363 CD2 LEU A 24 -7.034 26.762 -22.050 1.00 54.44 C ATOM 0 H LEU A 24 -6.634 31.101 -20.457 1.00 24.11 H new ATOM 0 HA LEU A 24 -8.372 29.167 -21.337 1.00 65.41 H new ATOM 0 HB2 LEU A 24 -5.680 29.353 -20.253 1.00 32.45 H new ATOM 0 HB3 LEU A 24 -6.453 27.879 -19.704 1.00 32.45 H new ATOM 0 HG LEU A 24 -6.303 28.683 -22.619 1.00 22.04 H new ATOM 0 HD11 LEU A 24 -4.447 27.073 -22.803 1.00 50.24 H new ATOM 0 HD12 LEU A 24 -4.038 28.431 -21.728 1.00 50.24 H new ATOM 0 HD13 LEU A 24 -4.472 26.849 -21.038 1.00 50.24 H new ATOM 0 HD21 LEU A 24 -6.780 26.296 -23.002 1.00 54.44 H new ATOM 0 HD22 LEU A 24 -6.895 26.041 -21.244 1.00 54.44 H new ATOM 0 HD23 LEU A 24 -8.074 27.086 -22.071 1.00 54.44 H new ATOM 375 N ASP A 25 -9.416 27.813 -19.477 1.00 0.24 N ATOM 376 CA ASP A 25 -10.244 27.226 -18.429 1.00 43.51 C ATOM 377 C ASP A 25 -11.029 26.032 -18.962 1.00 2.00 C ATOM 378 O ASP A 25 -12.166 25.791 -18.554 1.00 61.03 O ATOM 379 CB ASP A 25 -11.205 28.273 -17.863 1.00 21.20 C ATOM 380 CG ASP A 25 -11.329 28.189 -16.354 1.00 43.23 C ATOM 381 OD1 ASP A 25 -10.298 27.964 -15.687 1.00 31.45 O ATOM 382 OD2 ASP A 25 -12.456 28.348 -15.841 1.00 54.44 O ATOM 0 H ASP A 25 -9.500 27.357 -20.386 1.00 0.24 H new ATOM 0 HA ASP A 25 -9.587 26.879 -17.632 1.00 43.51 H new ATOM 0 HB2 ASP A 25 -10.858 29.268 -18.141 1.00 21.20 H new ATOM 0 HB3 ASP A 25 -12.189 28.140 -18.313 1.00 21.20 H new ATOM 387 N LEU A 26 -10.416 25.288 -19.876 1.00 22.22 N ATOM 388 CA LEU A 26 -11.057 24.118 -20.466 1.00 55.21 C ATOM 389 C LEU A 26 -11.590 23.185 -19.384 1.00 21.15 C ATOM 390 O LEU A 26 -10.893 22.880 -18.416 1.00 35.54 O ATOM 391 CB LEU A 26 -10.070 23.368 -21.362 1.00 12.11 C ATOM 392 CG LEU A 26 -10.494 21.966 -21.802 1.00 15.51 C ATOM 393 CD1 LEU A 26 -11.551 22.046 -22.893 1.00 44.42 C ATOM 394 CD2 LEU A 26 -9.289 21.170 -22.281 1.00 13.22 C ATOM 0 H LEU A 26 -9.476 25.474 -20.225 1.00 22.22 H new ATOM 0 HA LEU A 26 -11.897 24.461 -21.070 1.00 55.21 H new ATOM 0 HB2 LEU A 26 -9.891 23.968 -22.254 1.00 12.11 H new ATOM 0 HB3 LEU A 26 -9.119 23.290 -20.835 1.00 12.11 H new ATOM 0 HG LEU A 26 -10.926 21.451 -20.944 1.00 15.51 H new ATOM 0 HD11 LEU A 26 -11.841 21.039 -23.194 1.00 44.42 H new ATOM 0 HD12 LEU A 26 -12.425 22.577 -22.515 1.00 44.42 H new ATOM 0 HD13 LEU A 26 -11.146 22.579 -23.753 1.00 44.42 H new ATOM 0 HD21 LEU A 26 -9.610 20.175 -22.590 1.00 13.22 H new ATOM 0 HD22 LEU A 26 -8.828 21.681 -23.126 1.00 13.22 H new ATOM 0 HD23 LEU A 26 -8.565 21.082 -21.471 1.00 13.22 H new ATOM 406 N SER A 27 -12.828 22.733 -19.555 1.00 52.24 N ATOM 407 CA SER A 27 -13.455 21.835 -18.592 1.00 40.53 C ATOM 408 C SER A 27 -14.082 20.636 -19.296 1.00 62.31 C ATOM 409 O SER A 27 -14.690 19.777 -18.658 1.00 54.41 O ATOM 410 CB SER A 27 -14.520 22.581 -17.786 1.00 4.43 C ATOM 411 OG SER A 27 -14.229 22.544 -16.399 1.00 64.43 O ATOM 0 H SER A 27 -13.417 22.974 -20.352 1.00 52.24 H new ATOM 0 HA SER A 27 -12.683 21.473 -17.913 1.00 40.53 H new ATOM 0 HB2 SER A 27 -14.575 23.617 -18.122 1.00 4.43 H new ATOM 0 HB3 SER A 27 -15.497 22.134 -17.968 1.00 4.43 H new ATOM 0 HG SER A 27 -14.923 23.029 -15.906 1.00 64.43 H new ATOM 417 N GLU A 28 -13.928 20.585 -20.616 1.00 24.55 N ATOM 418 CA GLU A 28 -14.479 19.491 -21.406 1.00 72.35 C ATOM 419 C GLU A 28 -13.380 18.526 -21.842 1.00 20.00 C ATOM 420 O GLU A 28 -13.653 17.389 -22.225 1.00 44.34 O ATOM 421 CB GLU A 28 -15.209 20.038 -22.635 1.00 61.21 C ATOM 422 CG GLU A 28 -16.364 20.964 -22.294 1.00 51.35 C ATOM 423 CD GLU A 28 -17.324 20.356 -21.290 1.00 64.44 C ATOM 424 OE1 GLU A 28 -17.634 19.153 -21.419 1.00 51.11 O ATOM 425 OE2 GLU A 28 -17.764 21.083 -20.375 1.00 64.22 O ATOM 0 H GLU A 28 -13.427 21.288 -21.159 1.00 24.55 H new ATOM 0 HA GLU A 28 -15.188 18.948 -20.782 1.00 72.35 H new ATOM 0 HB2 GLU A 28 -14.497 20.575 -23.261 1.00 61.21 H new ATOM 0 HB3 GLU A 28 -15.586 19.203 -23.225 1.00 61.21 H new ATOM 0 HG2 GLU A 28 -15.970 21.898 -21.894 1.00 51.35 H new ATOM 0 HG3 GLU A 28 -16.907 21.212 -23.206 1.00 51.35 H new ATOM 432 N GLY A 29 -12.135 18.989 -21.780 1.00 51.31 N ATOM 433 CA GLY A 29 -11.013 18.156 -22.171 1.00 52.24 C ATOM 434 C GLY A 29 -10.422 17.394 -21.002 1.00 63.23 C ATOM 435 O GLY A 29 -9.364 17.757 -20.487 1.00 13.10 O ATOM 0 H GLY A 29 -11.884 19.926 -21.466 1.00 51.31 H new ATOM 0 HA2 GLY A 29 -11.338 17.449 -22.935 1.00 52.24 H new ATOM 0 HA3 GLY A 29 -10.241 18.780 -22.622 1.00 52.24 H new ATOM 439 N ARG A 30 -11.106 16.335 -20.582 1.00 22.15 N ATOM 440 CA ARG A 30 -10.643 15.521 -19.464 1.00 0.32 C ATOM 441 C ARG A 30 -10.244 14.126 -19.935 1.00 51.04 C ATOM 442 O ARG A 30 -10.739 13.638 -20.951 1.00 72.54 O ATOM 443 CB ARG A 30 -11.733 15.418 -18.395 1.00 63.21 C ATOM 444 CG ARG A 30 -12.858 14.465 -18.763 1.00 20.41 C ATOM 445 CD ARG A 30 -14.220 15.122 -18.603 1.00 2.22 C ATOM 446 NE ARG A 30 -15.312 14.190 -18.866 1.00 73.44 N ATOM 447 CZ ARG A 30 -16.584 14.447 -18.580 1.00 5.04 C ATOM 448 NH1 ARG A 30 -16.920 15.603 -18.024 1.00 33.54 N ATOM 449 NH2 ARG A 30 -17.521 13.548 -18.850 1.00 31.33 N ATOM 0 H ARG A 30 -11.982 16.020 -20.999 1.00 22.15 H new ATOM 0 HA ARG A 30 -9.766 16.005 -19.034 1.00 0.32 H new ATOM 0 HB2 ARG A 30 -11.282 15.090 -17.459 1.00 63.21 H new ATOM 0 HB3 ARG A 30 -12.151 16.409 -18.218 1.00 63.21 H new ATOM 0 HG2 ARG A 30 -12.732 14.133 -19.793 1.00 20.41 H new ATOM 0 HG3 ARG A 30 -12.805 13.577 -18.133 1.00 20.41 H new ATOM 0 HD2 ARG A 30 -14.316 15.516 -17.591 1.00 2.22 H new ATOM 0 HD3 ARG A 30 -14.295 15.970 -19.284 1.00 2.22 H new ATOM 0 HE ARG A 30 -15.086 13.292 -19.293 1.00 73.44 H new ATOM 0 HH11 ARG A 30 -16.202 16.296 -17.815 1.00 33.54 H new ATOM 0 HH12 ARG A 30 -17.897 15.799 -17.805 1.00 33.54 H new ATOM 0 HH21 ARG A 30 -17.266 12.658 -19.278 1.00 31.33 H new ATOM 0 HH22 ARG A 30 -18.497 13.747 -18.630 1.00 31.33 H new ATOM 463 N PHE A 31 -9.346 13.490 -19.191 1.00 64.11 N ATOM 464 CA PHE A 31 -8.879 12.152 -19.534 1.00 23.53 C ATOM 465 C PHE A 31 -9.000 11.211 -18.339 1.00 33.45 C ATOM 466 O PHE A 31 -8.888 11.633 -17.188 1.00 52.43 O ATOM 467 CB PHE A 31 -7.426 12.202 -20.012 1.00 31.13 C ATOM 468 CG PHE A 31 -6.447 12.526 -18.920 1.00 64.10 C ATOM 469 CD1 PHE A 31 -5.932 11.524 -18.113 1.00 63.24 C ATOM 470 CD2 PHE A 31 -6.040 13.832 -18.701 1.00 14.22 C ATOM 471 CE1 PHE A 31 -5.031 11.819 -17.108 1.00 10.43 C ATOM 472 CE2 PHE A 31 -5.140 14.134 -17.697 1.00 25.12 C ATOM 473 CZ PHE A 31 -4.633 13.126 -16.900 1.00 35.20 C ATOM 0 H PHE A 31 -8.927 13.879 -18.347 1.00 64.11 H new ATOM 0 HA PHE A 31 -9.507 11.771 -20.340 1.00 23.53 H new ATOM 0 HB2 PHE A 31 -7.163 11.240 -20.451 1.00 31.13 H new ATOM 0 HB3 PHE A 31 -7.337 12.948 -20.802 1.00 31.13 H new ATOM 0 HD1 PHE A 31 -6.239 10.501 -18.272 1.00 63.24 H new ATOM 0 HD2 PHE A 31 -6.431 14.624 -19.323 1.00 14.22 H new ATOM 0 HE1 PHE A 31 -4.638 11.029 -16.485 1.00 10.43 H new ATOM 0 HE2 PHE A 31 -4.833 15.157 -17.536 1.00 25.12 H new ATOM 0 HZ PHE A 31 -3.927 13.359 -16.116 1.00 35.20 H new ATOM 483 N ALA A 32 -9.231 9.933 -18.620 1.00 70.54 N ATOM 484 CA ALA A 32 -9.367 8.931 -17.570 1.00 44.01 C ATOM 485 C ALA A 32 -8.146 8.019 -17.520 1.00 64.14 C ATOM 486 O ALA A 32 -7.824 7.341 -18.497 1.00 11.34 O ATOM 487 CB ALA A 32 -10.631 8.112 -17.782 1.00 14.12 C ATOM 0 H ALA A 32 -9.328 9.567 -19.567 1.00 70.54 H new ATOM 0 HA ALA A 32 -9.440 9.450 -16.614 1.00 44.01 H new ATOM 0 HB1 ALA A 32 -10.719 7.368 -16.990 1.00 14.12 H new ATOM 0 HB2 ALA A 32 -11.499 8.771 -17.760 1.00 14.12 H new ATOM 0 HB3 ALA A 32 -10.581 7.610 -18.748 1.00 14.12 H new ATOM 493 N VAL A 33 -7.468 8.007 -16.377 1.00 22.21 N ATOM 494 CA VAL A 33 -6.282 7.177 -16.200 1.00 1.31 C ATOM 495 C VAL A 33 -6.563 6.009 -15.262 1.00 34.00 C ATOM 496 O VAL A 33 -7.252 6.161 -14.254 1.00 10.45 O ATOM 497 CB VAL A 33 -5.102 7.996 -15.643 1.00 13.15 C ATOM 498 CG1 VAL A 33 -5.353 8.373 -14.190 1.00 65.32 C ATOM 499 CG2 VAL A 33 -3.802 7.220 -15.784 1.00 44.23 C ATOM 0 H VAL A 33 -7.720 8.563 -15.559 1.00 22.21 H new ATOM 0 HA VAL A 33 -6.015 6.792 -17.184 1.00 1.31 H new ATOM 0 HB VAL A 33 -5.014 8.915 -16.222 1.00 13.15 H new ATOM 0 HG11 VAL A 33 -4.509 8.951 -13.813 1.00 65.32 H new ATOM 0 HG12 VAL A 33 -6.262 8.971 -14.121 1.00 65.32 H new ATOM 0 HG13 VAL A 33 -5.468 7.468 -13.594 1.00 65.32 H new ATOM 0 HG21 VAL A 33 -2.979 7.813 -15.386 1.00 44.23 H new ATOM 0 HG22 VAL A 33 -3.875 6.284 -15.231 1.00 44.23 H new ATOM 0 HG23 VAL A 33 -3.618 7.006 -16.837 1.00 44.23 H new ATOM 509 N ALA A 34 -6.025 4.842 -15.601 1.00 55.03 N ATOM 510 CA ALA A 34 -6.217 3.648 -14.788 1.00 64.51 C ATOM 511 C ALA A 34 -4.970 3.337 -13.967 1.00 3.21 C ATOM 512 O ALA A 34 -3.850 3.396 -14.475 1.00 5.34 O ATOM 513 CB ALA A 34 -6.579 2.461 -15.669 1.00 51.55 C ATOM 0 H ALA A 34 -5.453 4.698 -16.433 1.00 55.03 H new ATOM 0 HA ALA A 34 -7.038 3.838 -14.097 1.00 64.51 H new ATOM 0 HB1 ALA A 34 -6.719 1.576 -15.048 1.00 51.55 H new ATOM 0 HB2 ALA A 34 -7.502 2.676 -16.208 1.00 51.55 H new ATOM 0 HB3 ALA A 34 -5.776 2.279 -16.383 1.00 51.55 H new ATOM 519 N TYR A 35 -5.171 3.007 -12.696 1.00 51.31 N ATOM 520 CA TYR A 35 -4.062 2.691 -11.804 1.00 33.24 C ATOM 521 C TYR A 35 -3.873 1.182 -11.684 1.00 30.31 C ATOM 522 O TYR A 35 -4.825 0.413 -11.816 1.00 72.13 O ATOM 523 CB TYR A 35 -4.305 3.297 -10.420 1.00 64.03 C ATOM 524 CG TYR A 35 -4.221 4.807 -10.398 1.00 33.54 C ATOM 525 CD1 TYR A 35 -3.000 5.452 -10.250 1.00 2.12 C ATOM 526 CD2 TYR A 35 -5.364 5.587 -10.523 1.00 2.11 C ATOM 527 CE1 TYR A 35 -2.919 6.831 -10.228 1.00 3.12 C ATOM 528 CE2 TYR A 35 -5.292 6.966 -10.503 1.00 50.55 C ATOM 529 CZ TYR A 35 -4.067 7.584 -10.355 1.00 75.25 C ATOM 530 OH TYR A 35 -3.992 8.958 -10.334 1.00 60.42 O ATOM 0 H TYR A 35 -6.092 2.951 -12.260 1.00 51.31 H new ATOM 0 HA TYR A 35 -3.154 3.121 -12.228 1.00 33.24 H new ATOM 0 HB2 TYR A 35 -5.289 2.991 -10.066 1.00 64.03 H new ATOM 0 HB3 TYR A 35 -3.574 2.890 -9.721 1.00 64.03 H new ATOM 0 HD1 TYR A 35 -2.099 4.866 -10.150 1.00 2.12 H new ATOM 0 HD2 TYR A 35 -6.325 5.107 -10.638 1.00 2.11 H new ATOM 0 HE1 TYR A 35 -1.961 7.317 -10.112 1.00 3.12 H new ATOM 0 HE2 TYR A 35 -6.190 7.558 -10.603 1.00 50.55 H new ATOM 0 HH TYR A 35 -4.890 9.336 -10.436 1.00 60.42 H new ATOM 540 N SER A 36 -2.636 0.765 -11.432 1.00 12.22 N ATOM 541 CA SER A 36 -2.319 -0.652 -11.297 1.00 13.31 C ATOM 542 C SER A 36 -3.013 -1.250 -10.076 1.00 45.44 C ATOM 543 O SER A 36 -3.108 -2.468 -9.938 1.00 73.25 O ATOM 544 CB SER A 36 -0.806 -0.849 -11.186 1.00 73.30 C ATOM 545 OG SER A 36 -0.478 -2.223 -11.072 1.00 74.33 O ATOM 0 H SER A 36 -1.837 1.389 -11.317 1.00 12.22 H new ATOM 0 HA SER A 36 -2.681 -1.167 -12.187 1.00 13.31 H new ATOM 0 HB2 SER A 36 -0.316 -0.426 -12.063 1.00 73.30 H new ATOM 0 HB3 SER A 36 -0.428 -0.308 -10.318 1.00 73.30 H new ATOM 0 HG SER A 36 -1.242 -2.712 -10.700 1.00 74.33 H new ATOM 551 N ASN A 37 -3.494 -0.381 -9.193 1.00 34.31 N ATOM 552 CA ASN A 37 -4.179 -0.822 -7.983 1.00 24.32 C ATOM 553 C ASN A 37 -5.690 -0.848 -8.191 1.00 2.20 C ATOM 554 O ASN A 37 -6.460 -0.762 -7.234 1.00 70.04 O ATOM 555 CB ASN A 37 -3.829 0.097 -6.811 1.00 34.13 C ATOM 556 CG ASN A 37 -4.035 -0.576 -5.467 1.00 42.22 C ATOM 557 OD1 ASN A 37 -3.800 -1.775 -5.319 1.00 22.14 O ATOM 558 ND2 ASN A 37 -4.476 0.196 -4.481 1.00 20.14 N ATOM 0 H ASN A 37 -3.422 0.632 -9.292 1.00 34.31 H new ATOM 0 HA ASN A 37 -3.845 -1.834 -7.755 1.00 24.32 H new ATOM 0 HB2 ASN A 37 -2.790 0.415 -6.900 1.00 34.13 H new ATOM 0 HB3 ASN A 37 -4.443 0.996 -6.862 1.00 34.13 H new ATOM 0 HD21 ASN A 37 -4.633 -0.200 -3.554 1.00 20.14 H new ATOM 0 HD22 ASN A 37 -4.657 1.185 -4.650 1.00 20.14 H new ATOM 565 N ASP A 38 -6.106 -0.967 -9.447 1.00 15.23 N ATOM 566 CA ASP A 38 -7.525 -1.005 -9.781 1.00 74.41 C ATOM 567 C ASP A 38 -8.219 0.286 -9.359 1.00 4.21 C ATOM 568 O ASP A 38 -9.038 0.293 -8.440 1.00 33.42 O ATOM 569 CB ASP A 38 -8.197 -2.203 -9.108 1.00 34.12 C ATOM 570 CG ASP A 38 -9.527 -2.554 -9.745 1.00 74.41 C ATOM 571 OD1 ASP A 38 -9.525 -3.022 -10.903 1.00 30.13 O ATOM 572 OD2 ASP A 38 -10.571 -2.361 -9.086 1.00 41.34 O ATOM 0 H ASP A 38 -5.481 -1.039 -10.250 1.00 15.23 H new ATOM 0 HA ASP A 38 -7.615 -1.107 -10.862 1.00 74.41 H new ATOM 0 HB2 ASP A 38 -7.533 -3.066 -9.161 1.00 34.12 H new ATOM 0 HB3 ASP A 38 -8.350 -1.984 -8.051 1.00 34.12 H new ATOM 577 N THR A 39 -7.883 1.380 -10.036 1.00 14.43 N ATOM 578 CA THR A 39 -8.471 2.678 -9.730 1.00 13.42 C ATOM 579 C THR A 39 -8.546 3.555 -10.974 1.00 44.53 C ATOM 580 O THR A 39 -7.795 3.358 -11.929 1.00 51.35 O ATOM 581 CB THR A 39 -7.668 3.417 -8.642 1.00 70.35 C ATOM 582 OG1 THR A 39 -6.569 2.607 -8.211 1.00 21.14 O ATOM 583 CG2 THR A 39 -8.553 3.756 -7.452 1.00 61.05 C ATOM 0 H THR A 39 -7.207 1.393 -10.800 1.00 14.43 H new ATOM 0 HA THR A 39 -9.479 2.489 -9.361 1.00 13.42 H new ATOM 0 HB THR A 39 -7.289 4.346 -9.068 1.00 70.35 H new ATOM 0 HG1 THR A 39 -6.062 3.084 -7.521 1.00 21.14 H new ATOM 0 HG21 THR A 39 -7.964 4.277 -6.697 1.00 61.05 H new ATOM 0 HG22 THR A 39 -9.372 4.396 -7.779 1.00 61.05 H new ATOM 0 HG23 THR A 39 -8.958 2.838 -7.026 1.00 61.05 H new ATOM 591 N MET A 40 -9.455 4.525 -10.956 1.00 63.32 N ATOM 592 CA MET A 40 -9.625 5.434 -12.084 1.00 21.41 C ATOM 593 C MET A 40 -9.778 6.873 -11.603 1.00 50.25 C ATOM 594 O MET A 40 -10.456 7.136 -10.611 1.00 51.40 O ATOM 595 CB MET A 40 -10.844 5.028 -12.914 1.00 14.02 C ATOM 596 CG MET A 40 -10.491 4.272 -14.184 1.00 42.13 C ATOM 597 SD MET A 40 -11.947 3.772 -15.123 1.00 22.22 S ATOM 598 CE MET A 40 -11.950 2.005 -14.827 1.00 1.42 C ATOM 0 H MET A 40 -10.085 4.702 -10.173 1.00 63.32 H new ATOM 0 HA MET A 40 -8.733 5.371 -12.708 1.00 21.41 H new ATOM 0 HB2 MET A 40 -11.499 4.408 -12.302 1.00 14.02 H new ATOM 0 HB3 MET A 40 -11.407 5.923 -13.179 1.00 14.02 H new ATOM 0 HG2 MET A 40 -9.857 4.899 -14.811 1.00 42.13 H new ATOM 0 HG3 MET A 40 -9.909 3.387 -13.926 1.00 42.13 H new ATOM 0 HE1 MET A 40 -12.795 1.551 -15.344 1.00 1.42 H new ATOM 0 HE2 MET A 40 -11.021 1.572 -15.199 1.00 1.42 H new ATOM 0 HE3 MET A 40 -12.035 1.815 -13.757 1.00 1.42 H new ATOM 608 N GLU A 41 -9.143 7.800 -12.314 1.00 53.31 N ATOM 609 CA GLU A 41 -9.209 9.213 -11.958 1.00 33.21 C ATOM 610 C GLU A 41 -9.510 10.070 -13.184 1.00 63.34 C ATOM 611 O GLU A 41 -8.910 9.887 -14.243 1.00 51.12 O ATOM 612 CB GLU A 41 -7.894 9.662 -11.318 1.00 51.20 C ATOM 613 CG GLU A 41 -7.893 9.572 -9.801 1.00 52.22 C ATOM 614 CD GLU A 41 -8.553 10.770 -9.145 1.00 72.44 C ATOM 615 OE1 GLU A 41 -9.027 11.662 -9.879 1.00 4.43 O ATOM 616 OE2 GLU A 41 -8.596 10.813 -7.898 1.00 33.01 O ATOM 0 H GLU A 41 -8.578 7.598 -13.139 1.00 53.31 H new ATOM 0 HA GLU A 41 -10.018 9.343 -11.239 1.00 33.21 H new ATOM 0 HB2 GLU A 41 -7.081 9.050 -11.710 1.00 51.20 H new ATOM 0 HB3 GLU A 41 -7.689 10.691 -11.613 1.00 51.20 H new ATOM 0 HG2 GLU A 41 -8.411 8.663 -9.494 1.00 52.22 H new ATOM 0 HG3 GLU A 41 -6.866 9.488 -9.446 1.00 52.22 H new ATOM 623 N GLU A 42 -10.443 11.004 -13.032 1.00 1.20 N ATOM 624 CA GLU A 42 -10.824 11.888 -14.127 1.00 41.03 C ATOM 625 C GLU A 42 -10.538 13.345 -13.776 1.00 3.15 C ATOM 626 O GLU A 42 -10.818 13.794 -12.663 1.00 72.45 O ATOM 627 CB GLU A 42 -12.307 11.714 -14.460 1.00 13.20 C ATOM 628 CG GLU A 42 -13.237 12.127 -13.331 1.00 23.42 C ATOM 629 CD GLU A 42 -13.843 13.499 -13.547 1.00 14.44 C ATOM 630 OE1 GLU A 42 -13.281 14.279 -14.344 1.00 74.51 O ATOM 631 OE2 GLU A 42 -14.881 13.794 -12.917 1.00 53.23 O ATOM 0 H GLU A 42 -10.949 11.168 -12.162 1.00 1.20 H new ATOM 0 HA GLU A 42 -10.229 11.619 -15.000 1.00 41.03 H new ATOM 0 HB2 GLU A 42 -12.543 12.302 -15.347 1.00 13.20 H new ATOM 0 HB3 GLU A 42 -12.494 10.670 -14.710 1.00 13.20 H new ATOM 0 HG2 GLU A 42 -14.036 11.392 -13.236 1.00 23.42 H new ATOM 0 HG3 GLU A 42 -12.686 12.121 -12.391 1.00 23.42 H new ATOM 638 N HIS A 43 -9.977 14.079 -14.731 1.00 44.31 N ATOM 639 CA HIS A 43 -9.652 15.486 -14.523 1.00 62.11 C ATOM 640 C HIS A 43 -9.634 16.241 -15.849 1.00 12.23 C ATOM 641 O HIS A 43 -9.174 15.721 -16.865 1.00 25.13 O ATOM 642 CB HIS A 43 -8.297 15.621 -13.828 1.00 23.11 C ATOM 643 CG HIS A 43 -8.400 16.008 -12.385 1.00 21.43 C ATOM 644 ND1 HIS A 43 -9.290 16.953 -11.921 1.00 34.45 N ATOM 645 CD2 HIS A 43 -7.719 15.570 -11.300 1.00 22.20 C ATOM 646 CE1 HIS A 43 -9.151 17.081 -10.613 1.00 74.41 C ATOM 647 NE2 HIS A 43 -8.204 16.252 -10.212 1.00 13.04 N ATOM 0 H HIS A 43 -9.738 13.723 -15.657 1.00 44.31 H new ATOM 0 HA HIS A 43 -10.423 15.921 -13.887 1.00 62.11 H new ATOM 0 HB2 HIS A 43 -7.763 14.674 -13.904 1.00 23.11 H new ATOM 0 HB3 HIS A 43 -7.701 16.367 -14.354 1.00 23.11 H new ATOM 0 HD2 HIS A 43 -6.939 14.823 -11.292 1.00 22.20 H new ATOM 0 HE1 HIS A 43 -9.715 17.749 -9.980 1.00 74.41 H new ATOM 0 HE2 HIS A 43 -7.885 16.137 -9.250 1.00 13.04 H new ATOM 655 N SER A 44 -10.140 17.470 -15.831 1.00 4.54 N ATOM 656 CA SER A 44 -10.186 18.296 -17.032 1.00 72.51 C ATOM 657 C SER A 44 -9.298 19.526 -16.880 1.00 44.55 C ATOM 658 O SER A 44 -9.463 20.315 -15.949 1.00 64.41 O ATOM 659 CB SER A 44 -11.625 18.724 -17.327 1.00 1.25 C ATOM 660 OG SER A 44 -12.538 18.081 -16.454 1.00 65.30 O ATOM 0 H SER A 44 -10.524 17.916 -14.998 1.00 4.54 H new ATOM 0 HA SER A 44 -9.813 17.702 -17.866 1.00 72.51 H new ATOM 0 HB2 SER A 44 -11.715 19.805 -17.220 1.00 1.25 H new ATOM 0 HB3 SER A 44 -11.875 18.484 -18.360 1.00 1.25 H new ATOM 0 HG SER A 44 -13.450 18.373 -16.662 1.00 65.30 H new ATOM 666 N PHE A 45 -8.354 19.685 -17.803 1.00 75.22 N ATOM 667 CA PHE A 45 -7.438 20.819 -17.773 1.00 31.30 C ATOM 668 C PHE A 45 -6.964 21.097 -16.350 1.00 23.24 C ATOM 669 O PHE A 45 -7.322 22.111 -15.750 1.00 34.35 O ATOM 670 CB PHE A 45 -8.115 22.064 -18.350 1.00 2.05 C ATOM 671 CG PHE A 45 -7.148 23.146 -18.738 1.00 11.00 C ATOM 672 CD1 PHE A 45 -6.283 22.970 -19.806 1.00 32.10 C ATOM 673 CD2 PHE A 45 -7.104 24.339 -18.035 1.00 10.03 C ATOM 674 CE1 PHE A 45 -5.393 23.964 -20.166 1.00 63.33 C ATOM 675 CE2 PHE A 45 -6.216 25.336 -18.391 1.00 10.54 C ATOM 676 CZ PHE A 45 -5.358 25.148 -19.457 1.00 14.11 C ATOM 0 H PHE A 45 -8.204 19.042 -18.581 1.00 75.22 H new ATOM 0 HA PHE A 45 -6.570 20.570 -18.384 1.00 31.30 H new ATOM 0 HB2 PHE A 45 -8.698 21.778 -19.225 1.00 2.05 H new ATOM 0 HB3 PHE A 45 -8.816 22.460 -17.615 1.00 2.05 H new ATOM 0 HD1 PHE A 45 -6.305 22.045 -20.364 1.00 32.10 H new ATOM 0 HD2 PHE A 45 -7.771 24.491 -17.199 1.00 10.03 H new ATOM 0 HE1 PHE A 45 -4.725 23.815 -21.002 1.00 63.33 H new ATOM 0 HE2 PHE A 45 -6.193 26.262 -17.836 1.00 10.54 H new ATOM 0 HZ PHE A 45 -4.662 25.925 -19.735 1.00 14.11 H new ATOM 686 N THR A 46 -6.154 20.188 -15.814 1.00 15.34 N ATOM 687 CA THR A 46 -5.632 20.333 -14.461 1.00 2.40 C ATOM 688 C THR A 46 -4.534 19.313 -14.183 1.00 61.13 C ATOM 689 O THR A 46 -3.546 19.616 -13.515 1.00 2.44 O ATOM 690 CB THR A 46 -6.745 20.172 -13.408 1.00 42.33 C ATOM 691 OG1 THR A 46 -6.197 20.305 -12.092 1.00 10.20 O ATOM 692 CG2 THR A 46 -7.427 18.820 -13.545 1.00 32.40 C ATOM 0 H THR A 46 -5.846 19.344 -16.297 1.00 15.34 H new ATOM 0 HA THR A 46 -5.217 21.338 -14.389 1.00 2.40 H new ATOM 0 HB THR A 46 -7.487 20.954 -13.572 1.00 42.33 H new ATOM 0 HG1 THR A 46 -6.911 20.203 -11.428 1.00 10.20 H new ATOM 0 HG21 THR A 46 -8.209 18.729 -12.791 1.00 32.40 H new ATOM 0 HG22 THR A 46 -7.868 18.734 -14.538 1.00 32.40 H new ATOM 0 HG23 THR A 46 -6.693 18.026 -13.404 1.00 32.40 H new ATOM 700 N ASP A 47 -4.713 18.103 -14.701 1.00 70.32 N ATOM 701 CA ASP A 47 -3.736 17.037 -14.510 1.00 41.14 C ATOM 702 C ASP A 47 -2.413 17.385 -15.187 1.00 35.13 C ATOM 703 O ASP A 47 -2.389 18.081 -16.201 1.00 71.22 O ATOM 704 CB ASP A 47 -4.275 15.717 -15.064 1.00 45.01 C ATOM 705 CG ASP A 47 -4.424 14.657 -13.991 1.00 11.04 C ATOM 706 OD1 ASP A 47 -3.455 13.904 -13.761 1.00 25.13 O ATOM 707 OD2 ASP A 47 -5.510 14.581 -13.380 1.00 13.24 O ATOM 0 H ASP A 47 -5.526 17.836 -15.256 1.00 70.32 H new ATOM 0 HA ASP A 47 -3.558 16.927 -13.440 1.00 41.14 H new ATOM 0 HB2 ASP A 47 -5.242 15.892 -15.535 1.00 45.01 H new ATOM 0 HB3 ASP A 47 -3.604 15.351 -15.841 1.00 45.01 H new ATOM 712 N GLU A 48 -1.316 16.896 -14.617 1.00 14.45 N ATOM 713 CA GLU A 48 0.009 17.158 -15.164 1.00 65.11 C ATOM 714 C GLU A 48 0.459 16.016 -16.071 1.00 34.42 C ATOM 715 O GLU A 48 1.653 15.774 -16.238 1.00 3.03 O ATOM 716 CB GLU A 48 1.022 17.355 -14.034 1.00 43.44 C ATOM 717 CG GLU A 48 1.071 18.778 -13.503 1.00 24.14 C ATOM 718 CD GLU A 48 -0.280 19.266 -13.018 1.00 2.42 C ATOM 719 OE1 GLU A 48 -0.694 18.863 -11.911 1.00 24.42 O ATOM 720 OE2 GLU A 48 -0.923 20.052 -13.745 1.00 32.32 O ATOM 0 H GLU A 48 -1.319 16.317 -13.777 1.00 14.45 H new ATOM 0 HA GLU A 48 -0.045 18.071 -15.757 1.00 65.11 H new ATOM 0 HB2 GLU A 48 0.777 16.679 -13.215 1.00 43.44 H new ATOM 0 HB3 GLU A 48 2.013 17.075 -14.392 1.00 43.44 H new ATOM 0 HG2 GLU A 48 1.788 18.832 -12.684 1.00 24.14 H new ATOM 0 HG3 GLU A 48 1.433 19.442 -14.288 1.00 24.14 H new ATOM 727 N GLY A 49 -0.509 15.315 -16.654 1.00 53.12 N ATOM 728 CA GLY A 49 -0.194 14.206 -17.536 1.00 15.30 C ATOM 729 C GLY A 49 -0.196 14.609 -18.997 1.00 45.23 C ATOM 730 O GLY A 49 0.724 14.271 -19.743 1.00 0.23 O ATOM 0 H GLY A 49 -1.505 15.495 -16.531 1.00 53.12 H new ATOM 0 HA2 GLY A 49 0.785 13.804 -17.274 1.00 15.30 H new ATOM 0 HA3 GLY A 49 -0.918 13.406 -17.382 1.00 15.30 H new ATOM 734 N VAL A 50 -1.232 15.333 -19.409 1.00 64.13 N ATOM 735 CA VAL A 50 -1.349 15.782 -20.791 1.00 72.15 C ATOM 736 C VAL A 50 -0.789 17.189 -20.962 1.00 4.44 C ATOM 737 O VAL A 50 -0.934 18.036 -20.081 1.00 11.22 O ATOM 738 CB VAL A 50 -2.815 15.764 -21.265 1.00 2.34 C ATOM 739 CG1 VAL A 50 -3.406 14.370 -21.120 1.00 11.30 C ATOM 740 CG2 VAL A 50 -3.637 16.784 -20.490 1.00 65.24 C ATOM 0 H VAL A 50 -2.002 15.621 -18.805 1.00 64.13 H new ATOM 0 HA VAL A 50 -0.769 15.087 -21.399 1.00 72.15 H new ATOM 0 HB VAL A 50 -2.841 16.035 -22.320 1.00 2.34 H new ATOM 0 HG11 VAL A 50 -4.442 14.377 -21.460 1.00 11.30 H new ATOM 0 HG12 VAL A 50 -2.831 13.667 -21.722 1.00 11.30 H new ATOM 0 HG13 VAL A 50 -3.369 14.066 -20.074 1.00 11.30 H new ATOM 0 HG21 VAL A 50 -4.670 16.758 -20.837 1.00 65.24 H new ATOM 0 HG22 VAL A 50 -3.605 16.545 -19.427 1.00 65.24 H new ATOM 0 HG23 VAL A 50 -3.225 17.780 -20.650 1.00 65.24 H new ATOM 750 N GLU A 51 -0.148 17.432 -22.101 1.00 23.42 N ATOM 751 CA GLU A 51 0.435 18.737 -22.386 1.00 1.51 C ATOM 752 C GLU A 51 -0.167 19.337 -23.653 1.00 41.05 C ATOM 753 O GLU A 51 -0.278 18.664 -24.679 1.00 10.03 O ATOM 754 CB GLU A 51 1.954 18.621 -22.535 1.00 14.42 C ATOM 755 CG GLU A 51 2.669 18.295 -21.235 1.00 25.00 C ATOM 756 CD GLU A 51 4.130 18.701 -21.256 1.00 24.42 C ATOM 757 OE1 GLU A 51 4.736 18.683 -22.347 1.00 63.54 O ATOM 758 OE2 GLU A 51 4.667 19.037 -20.179 1.00 65.44 O ATOM 0 H GLU A 51 -0.020 16.742 -22.841 1.00 23.42 H new ATOM 0 HA GLU A 51 0.209 19.398 -21.549 1.00 1.51 H new ATOM 0 HB2 GLU A 51 2.181 17.847 -23.269 1.00 14.42 H new ATOM 0 HB3 GLU A 51 2.345 19.559 -22.930 1.00 14.42 H new ATOM 0 HG2 GLU A 51 2.167 18.802 -20.411 1.00 25.00 H new ATOM 0 HG3 GLU A 51 2.596 17.225 -21.043 1.00 25.00 H new ATOM 765 N ILE A 52 -0.554 20.606 -23.575 1.00 21.33 N ATOM 766 CA ILE A 52 -1.144 21.296 -24.715 1.00 20.02 C ATOM 767 C ILE A 52 -0.180 22.326 -25.293 1.00 2.43 C ATOM 768 O ILE A 52 0.438 23.096 -24.556 1.00 73.52 O ATOM 769 CB ILE A 52 -2.458 22.000 -24.328 1.00 74.54 C ATOM 770 CG1 ILE A 52 -3.238 21.153 -23.321 1.00 34.43 C ATOM 771 CG2 ILE A 52 -3.300 22.267 -25.567 1.00 41.32 C ATOM 772 CD1 ILE A 52 -3.556 19.760 -23.819 1.00 53.44 C ATOM 0 H ILE A 52 -0.469 21.177 -22.734 1.00 21.33 H new ATOM 0 HA ILE A 52 -1.356 20.537 -25.468 1.00 20.02 H new ATOM 0 HB ILE A 52 -2.218 22.956 -23.862 1.00 74.54 H new ATOM 0 HG12 ILE A 52 -2.662 21.077 -22.399 1.00 34.43 H new ATOM 0 HG13 ILE A 52 -4.169 21.663 -23.074 1.00 34.43 H new ATOM 0 HG21 ILE A 52 -4.225 22.765 -25.278 1.00 41.32 H new ATOM 0 HG22 ILE A 52 -2.744 22.905 -26.254 1.00 41.32 H new ATOM 0 HG23 ILE A 52 -3.534 21.323 -26.058 1.00 41.32 H new ATOM 0 HD11 ILE A 52 -4.110 19.217 -23.053 1.00 53.44 H new ATOM 0 HD12 ILE A 52 -4.159 19.826 -24.725 1.00 53.44 H new ATOM 0 HD13 ILE A 52 -2.628 19.232 -24.039 1.00 53.44 H new ATOM 784 N SER A 53 -0.057 22.337 -26.616 1.00 61.02 N ATOM 785 CA SER A 53 0.834 23.272 -27.294 1.00 34.12 C ATOM 786 C SER A 53 0.209 23.773 -28.593 1.00 22.44 C ATOM 787 O SER A 53 -0.360 22.998 -29.360 1.00 34.21 O ATOM 788 CB SER A 53 2.180 22.606 -27.585 1.00 40.43 C ATOM 789 OG SER A 53 3.213 23.181 -26.803 1.00 73.31 O ATOM 0 H SER A 53 -0.563 21.709 -27.240 1.00 61.02 H new ATOM 0 HA SER A 53 0.994 24.126 -26.636 1.00 34.12 H new ATOM 0 HB2 SER A 53 2.113 21.538 -27.377 1.00 40.43 H new ATOM 0 HB3 SER A 53 2.420 22.710 -28.643 1.00 40.43 H new ATOM 0 HG SER A 53 4.063 22.737 -27.006 1.00 73.31 H new ATOM 795 N GLY A 54 0.321 25.076 -28.832 1.00 21.20 N ATOM 796 CA GLY A 54 -0.237 25.659 -30.038 1.00 2.10 C ATOM 797 C GLY A 54 -1.009 26.934 -29.762 1.00 32.21 C ATOM 798 O GLY A 54 -0.870 27.921 -30.484 1.00 50.13 O ATOM 0 H GLY A 54 0.788 25.738 -28.212 1.00 21.20 H new ATOM 0 HA2 GLY A 54 0.568 25.871 -30.742 1.00 2.10 H new ATOM 0 HA3 GLY A 54 -0.896 24.935 -30.516 1.00 2.10 H new ATOM 802 N TYR A 55 -1.827 26.913 -28.715 1.00 44.21 N ATOM 803 CA TYR A 55 -2.628 28.075 -28.348 1.00 25.02 C ATOM 804 C TYR A 55 -1.809 29.061 -27.520 1.00 41.45 C ATOM 805 O TYR A 55 -1.052 28.667 -26.633 1.00 70.24 O ATOM 806 CB TYR A 55 -3.866 27.639 -27.563 1.00 53.35 C ATOM 807 CG TYR A 55 -4.440 28.727 -26.684 1.00 5.14 C ATOM 808 CD1 TYR A 55 -5.130 29.800 -27.233 1.00 52.33 C ATOM 809 CD2 TYR A 55 -4.290 28.683 -25.303 1.00 63.41 C ATOM 810 CE1 TYR A 55 -5.655 30.797 -26.434 1.00 11.05 C ATOM 811 CE2 TYR A 55 -4.813 29.674 -24.496 1.00 25.05 C ATOM 812 CZ TYR A 55 -5.494 30.729 -25.065 1.00 51.13 C ATOM 813 OH TYR A 55 -6.015 31.719 -24.264 1.00 51.44 O ATOM 0 H TYR A 55 -1.953 26.105 -28.106 1.00 44.21 H new ATOM 0 HA TYR A 55 -2.943 28.572 -29.265 1.00 25.02 H new ATOM 0 HB2 TYR A 55 -4.632 27.308 -28.264 1.00 53.35 H new ATOM 0 HB3 TYR A 55 -3.609 26.780 -26.943 1.00 53.35 H new ATOM 0 HD1 TYR A 55 -5.258 29.856 -28.304 1.00 52.33 H new ATOM 0 HD2 TYR A 55 -3.755 27.860 -24.853 1.00 63.41 H new ATOM 0 HE1 TYR A 55 -6.188 31.625 -26.878 1.00 11.05 H new ATOM 0 HE2 TYR A 55 -4.689 29.623 -23.424 1.00 25.05 H new ATOM 0 HH TYR A 55 -5.815 31.520 -23.326 1.00 51.44 H new ATOM 823 N ASP A 56 -1.967 30.346 -27.818 1.00 13.55 N ATOM 824 CA ASP A 56 -1.245 31.391 -27.101 1.00 52.52 C ATOM 825 C ASP A 56 -2.000 31.809 -25.843 1.00 20.10 C ATOM 826 O ASP A 56 -3.165 32.200 -25.907 1.00 41.23 O ATOM 827 CB ASP A 56 -1.029 32.605 -28.007 1.00 61.53 C ATOM 828 CG ASP A 56 -0.074 32.312 -29.148 1.00 53.21 C ATOM 829 OD1 ASP A 56 0.486 31.197 -29.182 1.00 24.40 O ATOM 830 OD2 ASP A 56 0.112 33.199 -30.008 1.00 35.44 O ATOM 0 H ASP A 56 -2.588 30.689 -28.551 1.00 13.55 H new ATOM 0 HA ASP A 56 -0.276 30.990 -26.805 1.00 52.52 H new ATOM 0 HB2 ASP A 56 -1.988 32.927 -28.413 1.00 61.53 H new ATOM 0 HB3 ASP A 56 -0.640 33.433 -27.414 1.00 61.53 H new ATOM 835 N ALA A 57 -1.328 31.722 -24.700 1.00 31.44 N ATOM 836 CA ALA A 57 -1.935 32.091 -23.427 1.00 21.01 C ATOM 837 C ALA A 57 -2.060 33.605 -23.297 1.00 53.24 C ATOM 838 O ALA A 57 -1.330 34.234 -22.532 1.00 32.33 O ATOM 839 CB ALA A 57 -1.122 31.526 -22.271 1.00 54.01 C ATOM 0 H ALA A 57 -0.363 31.399 -24.629 1.00 31.44 H new ATOM 0 HA ALA A 57 -2.938 31.665 -23.394 1.00 21.01 H new ATOM 0 HB1 ALA A 57 -1.587 31.809 -21.327 1.00 54.01 H new ATOM 0 HB2 ALA A 57 -1.088 30.439 -22.347 1.00 54.01 H new ATOM 0 HB3 ALA A 57 -0.108 31.924 -22.310 1.00 54.01 H new ATOM 845 N GLN A 58 -2.989 34.184 -24.051 1.00 75.02 N ATOM 846 CA GLN A 58 -3.208 35.625 -24.021 1.00 14.22 C ATOM 847 C GLN A 58 -4.323 36.027 -24.981 1.00 32.11 C ATOM 848 O GLN A 58 -5.082 36.959 -24.713 1.00 72.32 O ATOM 849 CB GLN A 58 -1.919 36.366 -24.379 1.00 61.13 C ATOM 850 CG GLN A 58 -1.573 37.487 -23.413 1.00 42.53 C ATOM 851 CD GLN A 58 -1.350 38.813 -24.114 1.00 3.10 C ATOM 852 OE1 GLN A 58 -2.223 39.681 -24.118 1.00 0.33 O ATOM 853 NE2 GLN A 58 -0.175 38.977 -24.712 1.00 75.41 N ATOM 0 H GLN A 58 -3.602 33.677 -24.690 1.00 75.02 H new ATOM 0 HA GLN A 58 -3.508 35.900 -23.010 1.00 14.22 H new ATOM 0 HB2 GLN A 58 -1.095 35.653 -24.405 1.00 61.13 H new ATOM 0 HB3 GLN A 58 -2.014 36.779 -25.383 1.00 61.13 H new ATOM 0 HG2 GLN A 58 -2.377 37.596 -22.685 1.00 42.53 H new ATOM 0 HG3 GLN A 58 -0.675 37.218 -22.857 1.00 42.53 H new ATOM 0 HE21 GLN A 58 0.520 38.231 -24.684 1.00 75.41 H new ATOM 0 HE22 GLN A 58 0.032 39.849 -25.199 1.00 75.41 H new ATOM 862 N LYS A 59 -4.417 35.318 -26.101 1.00 5.21 N ATOM 863 CA LYS A 59 -5.439 35.599 -27.102 1.00 1.22 C ATOM 864 C LYS A 59 -5.876 34.319 -27.807 1.00 14.31 C ATOM 865 O LYS A 59 -5.050 33.471 -28.146 1.00 55.11 O ATOM 866 CB LYS A 59 -4.914 36.606 -28.128 1.00 71.32 C ATOM 867 CG LYS A 59 -5.411 38.023 -27.900 1.00 34.41 C ATOM 868 CD LYS A 59 -4.555 39.039 -28.636 1.00 53.42 C ATOM 869 CE LYS A 59 -4.608 38.827 -30.141 1.00 63.33 C ATOM 870 NZ LYS A 59 -3.891 39.903 -30.879 1.00 1.50 N ATOM 0 H LYS A 59 -3.797 34.544 -26.338 1.00 5.21 H new ATOM 0 HA LYS A 59 -6.303 36.026 -26.593 1.00 1.22 H new ATOM 0 HB2 LYS A 59 -3.824 36.604 -28.102 1.00 71.32 H new ATOM 0 HB3 LYS A 59 -5.210 36.283 -29.126 1.00 71.32 H new ATOM 0 HG2 LYS A 59 -6.445 38.105 -28.236 1.00 34.41 H new ATOM 0 HG3 LYS A 59 -5.404 38.245 -26.833 1.00 34.41 H new ATOM 0 HD2 LYS A 59 -4.897 40.046 -28.397 1.00 53.42 H new ATOM 0 HD3 LYS A 59 -3.523 38.963 -28.293 1.00 53.42 H new ATOM 0 HE2 LYS A 59 -4.166 37.861 -30.387 1.00 63.33 H new ATOM 0 HE3 LYS A 59 -5.648 38.794 -30.467 1.00 63.33 H new ATOM 0 HZ1 LYS A 59 -3.950 39.722 -31.901 1.00 1.50 H new ATOM 0 HZ2 LYS A 59 -4.328 40.822 -30.664 1.00 1.50 H new ATOM 0 HZ3 LYS A 59 -2.893 39.918 -30.588 1.00 1.50 H new ATOM 884 N THR A 60 -7.181 34.186 -28.026 1.00 41.04 N ATOM 885 CA THR A 60 -7.728 33.010 -28.691 1.00 42.24 C ATOM 886 C THR A 60 -7.987 33.285 -30.168 1.00 71.43 C ATOM 887 O THR A 60 -7.205 32.886 -31.030 1.00 41.44 O ATOM 888 CB THR A 60 -9.040 32.549 -28.029 1.00 5.14 C ATOM 889 OG1 THR A 60 -9.920 33.665 -27.856 1.00 41.21 O ATOM 890 CG2 THR A 60 -8.766 31.900 -26.680 1.00 65.14 C ATOM 0 H THR A 60 -7.878 34.878 -27.752 1.00 41.04 H new ATOM 0 HA THR A 60 -6.984 32.219 -28.596 1.00 42.24 H new ATOM 0 HB THR A 60 -9.511 31.813 -28.681 1.00 5.14 H new ATOM 0 HG1 THR A 60 -9.615 34.207 -27.099 1.00 41.21 H new ATOM 0 HG21 THR A 60 -9.707 31.582 -26.231 1.00 65.14 H new ATOM 0 HG22 THR A 60 -8.119 31.034 -26.818 1.00 65.14 H new ATOM 0 HG23 THR A 60 -8.275 32.619 -26.024 1.00 65.14 H new ATOM 898 N GLY A 61 -9.091 33.969 -30.454 1.00 30.34 N ATOM 899 CA GLY A 61 -9.433 34.285 -31.828 1.00 12.10 C ATOM 900 C GLY A 61 -9.328 33.082 -32.743 1.00 72.55 C ATOM 901 O GLY A 61 -8.714 33.155 -33.808 1.00 20.41 O ATOM 0 H GLY A 61 -9.754 34.310 -29.758 1.00 30.34 H new ATOM 0 HA2 GLY A 61 -10.449 34.678 -31.865 1.00 12.10 H new ATOM 0 HA3 GLY A 61 -8.773 35.073 -32.191 1.00 12.10 H new ATOM 905 N ARG A 62 -9.928 31.970 -32.328 1.00 44.35 N ATOM 906 CA ARG A 62 -9.896 30.745 -33.118 1.00 31.14 C ATOM 907 C ARG A 62 -8.473 30.205 -33.227 1.00 40.33 C ATOM 908 O ARG A 62 -7.868 30.238 -34.299 1.00 32.34 O ATOM 909 CB ARG A 62 -10.466 30.998 -34.515 1.00 31.14 C ATOM 910 CG ARG A 62 -10.960 29.739 -35.208 1.00 60.30 C ATOM 911 CD ARG A 62 -12.228 30.003 -36.005 1.00 63.33 C ATOM 912 NE ARG A 62 -12.006 30.963 -37.083 1.00 74.23 N ATOM 913 CZ ARG A 62 -12.985 31.489 -37.811 1.00 71.45 C ATOM 914 NH1 ARG A 62 -14.245 31.149 -37.578 1.00 13.50 N ATOM 915 NH2 ARG A 62 -12.704 32.356 -38.775 1.00 41.23 N ATOM 0 H ARG A 62 -10.441 31.893 -31.450 1.00 44.35 H new ATOM 0 HA ARG A 62 -10.511 30.000 -32.612 1.00 31.14 H new ATOM 0 HB2 ARG A 62 -11.290 31.708 -34.439 1.00 31.14 H new ATOM 0 HB3 ARG A 62 -9.699 31.465 -35.132 1.00 31.14 H new ATOM 0 HG2 ARG A 62 -10.184 29.360 -35.872 1.00 60.30 H new ATOM 0 HG3 ARG A 62 -11.150 28.964 -34.465 1.00 60.30 H new ATOM 0 HD2 ARG A 62 -12.595 29.066 -36.424 1.00 63.33 H new ATOM 0 HD3 ARG A 62 -13.004 30.379 -35.338 1.00 63.33 H new ATOM 0 HE ARG A 62 -11.047 31.245 -37.288 1.00 74.23 H new ATOM 0 HH11 ARG A 62 -14.465 30.482 -36.838 1.00 13.50 H new ATOM 0 HH12 ARG A 62 -14.995 31.554 -38.138 1.00 13.50 H new ATOM 0 HH21 ARG A 62 -11.736 32.619 -38.958 1.00 41.23 H new ATOM 0 HH22 ARG A 62 -13.456 32.759 -39.333 1.00 41.23 H new ATOM 929 N GLN A 63 -7.946 29.711 -32.112 1.00 64.31 N ATOM 930 CA GLN A 63 -6.593 29.166 -32.083 1.00 75.45 C ATOM 931 C GLN A 63 -6.622 27.641 -32.037 1.00 1.53 C ATOM 932 O GLN A 63 -7.511 27.044 -31.429 1.00 11.21 O ATOM 933 CB GLN A 63 -5.827 29.710 -30.877 1.00 43.53 C ATOM 934 CG GLN A 63 -5.049 30.982 -31.175 1.00 2.23 C ATOM 935 CD GLN A 63 -3.591 30.714 -31.492 1.00 61.20 C ATOM 936 OE1 GLN A 63 -2.778 30.495 -30.593 1.00 71.13 O ATOM 937 NE2 GLN A 63 -3.252 30.729 -32.776 1.00 24.12 N ATOM 0 H GLN A 63 -8.434 29.677 -31.217 1.00 64.31 H new ATOM 0 HA GLN A 63 -6.084 29.474 -32.996 1.00 75.45 H new ATOM 0 HB2 GLN A 63 -6.531 29.905 -30.068 1.00 43.53 H new ATOM 0 HB3 GLN A 63 -5.136 28.946 -30.521 1.00 43.53 H new ATOM 0 HG2 GLN A 63 -5.511 31.497 -32.017 1.00 2.23 H new ATOM 0 HG3 GLN A 63 -5.113 31.652 -30.318 1.00 2.23 H new ATOM 0 HE21 GLN A 63 -3.958 30.915 -33.488 1.00 24.12 H new ATOM 0 HE22 GLN A 63 -2.285 30.555 -33.050 1.00 24.12 H new ATOM 946 N THR A 64 -5.643 27.016 -32.683 1.00 62.01 N ATOM 947 CA THR A 64 -5.556 25.562 -32.717 1.00 33.53 C ATOM 948 C THR A 64 -4.785 25.029 -31.514 1.00 75.34 C ATOM 949 O THR A 64 -3.835 25.656 -31.045 1.00 40.34 O ATOM 950 CB THR A 64 -4.876 25.069 -34.008 1.00 21.12 C ATOM 951 OG1 THR A 64 -5.638 25.477 -35.149 1.00 60.45 O ATOM 952 CG2 THR A 64 -4.734 23.554 -34.001 1.00 12.31 C ATOM 0 H THR A 64 -4.899 27.495 -33.190 1.00 62.01 H new ATOM 0 HA THR A 64 -6.578 25.184 -32.687 1.00 33.53 H new ATOM 0 HB THR A 64 -3.881 25.510 -34.060 1.00 21.12 H new ATOM 0 HG1 THR A 64 -5.198 25.161 -35.966 1.00 60.45 H new ATOM 0 HG21 THR A 64 -4.251 23.230 -34.923 1.00 12.31 H new ATOM 0 HG22 THR A 64 -4.128 23.249 -33.147 1.00 12.31 H new ATOM 0 HG23 THR A 64 -5.721 23.096 -33.928 1.00 12.31 H new ATOM 960 N LEU A 65 -5.200 23.868 -31.019 1.00 64.54 N ATOM 961 CA LEU A 65 -4.547 23.249 -29.871 1.00 23.02 C ATOM 962 C LEU A 65 -4.208 21.790 -30.157 1.00 72.45 C ATOM 963 O LEU A 65 -5.019 21.051 -30.718 1.00 22.23 O ATOM 964 CB LEU A 65 -5.446 23.343 -28.637 1.00 24.03 C ATOM 965 CG LEU A 65 -5.739 24.754 -28.126 1.00 54.02 C ATOM 966 CD1 LEU A 65 -6.968 25.326 -28.817 1.00 3.55 C ATOM 967 CD2 LEU A 65 -5.929 24.746 -26.616 1.00 51.33 C ATOM 0 H LEU A 65 -5.985 23.337 -31.395 1.00 64.54 H new ATOM 0 HA LEU A 65 -3.618 23.787 -29.679 1.00 23.02 H new ATOM 0 HB2 LEU A 65 -6.394 22.857 -28.865 1.00 24.03 H new ATOM 0 HB3 LEU A 65 -4.982 22.775 -27.830 1.00 24.03 H new ATOM 0 HG LEU A 65 -4.885 25.390 -28.361 1.00 54.02 H new ATOM 0 HD11 LEU A 65 -7.162 26.331 -28.441 1.00 3.55 H new ATOM 0 HD12 LEU A 65 -6.794 25.368 -29.892 1.00 3.55 H new ATOM 0 HD13 LEU A 65 -7.829 24.690 -28.613 1.00 3.55 H new ATOM 0 HD21 LEU A 65 -6.137 25.759 -26.270 1.00 51.33 H new ATOM 0 HD22 LEU A 65 -6.765 24.096 -26.358 1.00 51.33 H new ATOM 0 HD23 LEU A 65 -5.022 24.378 -26.137 1.00 51.33 H new ATOM 979 N THR A 66 -3.005 21.379 -29.768 1.00 34.33 N ATOM 980 CA THR A 66 -2.560 20.008 -29.982 1.00 24.25 C ATOM 981 C THR A 66 -2.061 19.383 -28.684 1.00 21.05 C ATOM 982 O THR A 66 -1.004 19.754 -28.170 1.00 35.42 O ATOM 983 CB THR A 66 -1.438 19.940 -31.035 1.00 22.41 C ATOM 984 OG1 THR A 66 -0.900 21.247 -31.263 1.00 70.01 O ATOM 985 CG2 THR A 66 -1.958 19.364 -32.343 1.00 55.44 C ATOM 0 H THR A 66 -2.322 21.977 -29.303 1.00 34.33 H new ATOM 0 HA THR A 66 -3.423 19.448 -30.344 1.00 24.25 H new ATOM 0 HB THR A 66 -0.653 19.286 -30.656 1.00 22.41 H new ATOM 0 HG1 THR A 66 -0.538 21.602 -30.425 1.00 70.01 H new ATOM 0 HG21 THR A 66 -1.148 19.326 -33.071 1.00 55.44 H new ATOM 0 HG22 THR A 66 -2.339 18.357 -32.171 1.00 55.44 H new ATOM 0 HG23 THR A 66 -2.760 19.995 -32.725 1.00 55.44 H new ATOM 993 N LEU A 67 -2.826 18.433 -28.158 1.00 12.14 N ATOM 994 CA LEU A 67 -2.461 17.755 -26.918 1.00 53.34 C ATOM 995 C LEU A 67 -1.755 16.434 -27.208 1.00 15.43 C ATOM 996 O LEU A 67 -2.207 15.646 -28.040 1.00 4.53 O ATOM 997 CB LEU A 67 -3.706 17.505 -26.065 1.00 40.30 C ATOM 998 CG LEU A 67 -4.481 16.222 -26.368 1.00 2.33 C ATOM 999 CD1 LEU A 67 -3.931 15.062 -25.552 1.00 55.13 C ATOM 1000 CD2 LEU A 67 -5.964 16.417 -26.090 1.00 32.13 C ATOM 0 H LEU A 67 -3.703 18.114 -28.570 1.00 12.14 H new ATOM 0 HA LEU A 67 -1.775 18.399 -26.368 1.00 53.34 H new ATOM 0 HB2 LEU A 67 -3.406 17.486 -25.017 1.00 40.30 H new ATOM 0 HB3 LEU A 67 -4.382 18.351 -26.188 1.00 40.30 H new ATOM 0 HG LEU A 67 -4.358 15.986 -27.425 1.00 2.33 H new ATOM 0 HD11 LEU A 67 -4.494 14.157 -25.780 1.00 55.13 H new ATOM 0 HD12 LEU A 67 -2.881 14.908 -25.800 1.00 55.13 H new ATOM 0 HD13 LEU A 67 -4.023 15.288 -24.490 1.00 55.13 H new ATOM 0 HD21 LEU A 67 -6.500 15.494 -26.311 1.00 32.13 H new ATOM 0 HD22 LEU A 67 -6.106 16.677 -25.041 1.00 32.13 H new ATOM 0 HD23 LEU A 67 -6.349 17.220 -26.718 1.00 32.13 H new ATOM 1012 N HIS A 68 -0.647 16.197 -26.514 1.00 4.41 N ATOM 1013 CA HIS A 68 0.120 14.970 -26.694 1.00 64.03 C ATOM 1014 C HIS A 68 0.266 14.221 -25.373 1.00 74.10 C ATOM 1015 O HIS A 68 0.959 14.676 -24.463 1.00 63.22 O ATOM 1016 CB HIS A 68 1.501 15.286 -27.269 1.00 45.40 C ATOM 1017 CG HIS A 68 1.834 14.497 -28.497 1.00 65.52 C ATOM 1018 ND1 HIS A 68 2.453 15.046 -29.600 1.00 61.34 N ATOM 1019 CD2 HIS A 68 1.633 13.191 -28.792 1.00 31.13 C ATOM 1020 CE1 HIS A 68 2.616 14.112 -30.521 1.00 41.51 C ATOM 1021 NE2 HIS A 68 2.127 12.977 -30.055 1.00 2.40 N ATOM 0 H HIS A 68 -0.260 16.838 -25.822 1.00 4.41 H new ATOM 0 HA HIS A 68 -0.420 14.333 -27.395 1.00 64.03 H new ATOM 0 HB2 HIS A 68 1.552 16.349 -27.505 1.00 45.40 H new ATOM 0 HB3 HIS A 68 2.256 15.092 -26.507 1.00 45.40 H new ATOM 0 HD2 HIS A 68 1.170 12.454 -28.152 1.00 31.13 H new ATOM 0 HE1 HIS A 68 3.072 14.253 -31.490 1.00 41.51 H new ATOM 0 HE2 HIS A 68 2.118 12.087 -30.552 1.00 2.40 H new ATOM 1029 N TYR A 69 -0.393 13.072 -25.275 1.00 34.23 N ATOM 1030 CA TYR A 69 -0.340 12.262 -24.064 1.00 32.44 C ATOM 1031 C TYR A 69 -0.262 10.777 -24.405 1.00 31.43 C ATOM 1032 O TYR A 69 -1.072 10.263 -25.175 1.00 73.14 O ATOM 1033 CB TYR A 69 -1.566 12.532 -23.190 1.00 33.31 C ATOM 1034 CG TYR A 69 -1.485 11.897 -21.820 1.00 75.31 C ATOM 1035 CD1 TYR A 69 -0.303 11.919 -21.091 1.00 13.54 C ATOM 1036 CD2 TYR A 69 -2.592 11.275 -21.255 1.00 31.21 C ATOM 1037 CE1 TYR A 69 -0.225 11.340 -19.839 1.00 61.22 C ATOM 1038 CE2 TYR A 69 -2.523 10.694 -20.003 1.00 73.13 C ATOM 1039 CZ TYR A 69 -1.337 10.729 -19.300 1.00 34.53 C ATOM 1040 OH TYR A 69 -1.264 10.151 -18.053 1.00 2.33 O ATOM 0 H TYR A 69 -0.970 12.681 -26.019 1.00 34.23 H new ATOM 0 HA TYR A 69 0.559 12.538 -23.512 1.00 32.44 H new ATOM 0 HB2 TYR A 69 -1.690 13.609 -23.075 1.00 33.31 H new ATOM 0 HB3 TYR A 69 -2.455 12.162 -23.701 1.00 33.31 H new ATOM 0 HD1 TYR A 69 0.570 12.397 -21.510 1.00 13.54 H new ATOM 0 HD2 TYR A 69 -3.522 11.245 -21.804 1.00 31.21 H new ATOM 0 HE1 TYR A 69 0.702 11.366 -19.286 1.00 61.22 H new ATOM 0 HE2 TYR A 69 -3.393 10.215 -19.578 1.00 73.13 H new ATOM 0 HH TYR A 69 -2.134 9.765 -17.820 1.00 2.33 H new ATOM 1050 N GLN A 70 0.719 10.094 -23.824 1.00 21.41 N ATOM 1051 CA GLN A 70 0.904 8.668 -24.066 1.00 32.42 C ATOM 1052 C GLN A 70 1.172 8.396 -25.542 1.00 44.34 C ATOM 1053 O GLN A 70 0.922 7.299 -26.038 1.00 35.42 O ATOM 1054 CB GLN A 70 -0.329 7.887 -23.608 1.00 14.13 C ATOM 1055 CG GLN A 70 -0.686 8.115 -22.148 1.00 11.33 C ATOM 1056 CD GLN A 70 -0.083 7.071 -21.229 1.00 45.04 C ATOM 1057 OE1 GLN A 70 0.594 7.401 -20.255 1.00 10.11 O ATOM 1058 NE2 GLN A 70 -0.325 5.802 -21.536 1.00 23.12 N ATOM 0 H GLN A 70 1.398 10.505 -23.183 1.00 21.41 H new ATOM 0 HA GLN A 70 1.769 8.338 -23.491 1.00 32.42 H new ATOM 0 HB2 GLN A 70 -1.179 8.169 -24.230 1.00 14.13 H new ATOM 0 HB3 GLN A 70 -0.155 6.823 -23.769 1.00 14.13 H new ATOM 0 HG2 GLN A 70 -0.342 9.103 -21.844 1.00 11.33 H new ATOM 0 HG3 GLN A 70 -1.770 8.108 -22.038 1.00 11.33 H new ATOM 0 HE21 GLN A 70 -0.892 5.574 -22.353 1.00 23.12 H new ATOM 0 HE22 GLN A 70 0.056 5.055 -20.955 1.00 23.12 H new ATOM 1067 N GLY A 71 1.684 9.405 -26.241 1.00 42.31 N ATOM 1068 CA GLY A 71 1.978 9.255 -27.654 1.00 52.34 C ATOM 1069 C GLY A 71 0.808 9.650 -28.534 1.00 45.15 C ATOM 1070 O GLY A 71 0.978 9.903 -29.728 1.00 12.44 O ATOM 0 H GLY A 71 1.900 10.323 -25.854 1.00 42.31 H new ATOM 0 HA2 GLY A 71 2.843 9.867 -27.909 1.00 52.34 H new ATOM 0 HA3 GLY A 71 2.249 8.219 -27.858 1.00 52.34 H new ATOM 1074 N HIS A 72 -0.382 9.701 -27.946 1.00 14.40 N ATOM 1075 CA HIS A 72 -1.585 10.067 -28.685 1.00 53.23 C ATOM 1076 C HIS A 72 -1.662 11.578 -28.885 1.00 62.24 C ATOM 1077 O HIS A 72 -1.357 12.349 -27.976 1.00 53.25 O ATOM 1078 CB HIS A 72 -2.832 9.575 -27.949 1.00 25.11 C ATOM 1079 CG HIS A 72 -3.874 8.996 -28.856 1.00 4.14 C ATOM 1080 ND1 HIS A 72 -3.718 7.792 -29.509 1.00 62.12 N ATOM 1081 CD2 HIS A 72 -5.092 9.462 -29.215 1.00 14.51 C ATOM 1082 CE1 HIS A 72 -4.795 7.543 -30.233 1.00 1.54 C ATOM 1083 NE2 HIS A 72 -5.645 8.542 -30.071 1.00 64.31 N ATOM 0 H HIS A 72 -0.540 9.494 -26.960 1.00 14.40 H new ATOM 0 HA HIS A 72 -1.538 9.590 -29.664 1.00 53.23 H new ATOM 0 HB2 HIS A 72 -2.539 8.821 -27.218 1.00 25.11 H new ATOM 0 HB3 HIS A 72 -3.267 10.406 -27.393 1.00 25.11 H new ATOM 0 HD2 HIS A 72 -5.545 10.386 -28.889 1.00 14.51 H new ATOM 0 HE1 HIS A 72 -4.954 6.672 -30.851 1.00 1.54 H new ATOM 0 HE2 HIS A 72 -6.562 8.617 -30.510 1.00 64.31 H new ATOM 1091 N GLU A 73 -2.069 11.992 -30.081 1.00 75.21 N ATOM 1092 CA GLU A 73 -2.184 13.410 -30.400 1.00 2.14 C ATOM 1093 C GLU A 73 -3.616 13.767 -30.786 1.00 12.32 C ATOM 1094 O GLU A 73 -4.262 13.050 -31.550 1.00 14.12 O ATOM 1095 CB GLU A 73 -1.230 13.778 -31.538 1.00 51.41 C ATOM 1096 CG GLU A 73 -0.861 15.252 -31.571 1.00 13.05 C ATOM 1097 CD GLU A 73 -0.301 15.684 -32.912 1.00 21.22 C ATOM 1098 OE1 GLU A 73 -1.088 15.796 -33.875 1.00 34.23 O ATOM 1099 OE2 GLU A 73 0.924 15.909 -32.999 1.00 1.22 O ATOM 0 H GLU A 73 -2.324 11.366 -30.844 1.00 75.21 H new ATOM 0 HA GLU A 73 -1.914 13.979 -29.511 1.00 2.14 H new ATOM 0 HB2 GLU A 73 -0.320 13.186 -31.443 1.00 51.41 H new ATOM 0 HB3 GLU A 73 -1.689 13.506 -32.488 1.00 51.41 H new ATOM 0 HG2 GLU A 73 -1.744 15.849 -31.341 1.00 13.05 H new ATOM 0 HG3 GLU A 73 -0.126 15.456 -30.792 1.00 13.05 H new ATOM 1106 N VAL A 74 -4.107 14.881 -30.251 1.00 43.34 N ATOM 1107 CA VAL A 74 -5.462 15.335 -30.540 1.00 10.14 C ATOM 1108 C VAL A 74 -5.483 16.821 -30.880 1.00 73.11 C ATOM 1109 O VAL A 74 -4.808 17.625 -30.238 1.00 42.10 O ATOM 1110 CB VAL A 74 -6.405 15.079 -29.349 1.00 22.21 C ATOM 1111 CG1 VAL A 74 -7.851 15.327 -29.750 1.00 20.03 C ATOM 1112 CG2 VAL A 74 -6.224 13.663 -28.822 1.00 13.30 C ATOM 0 H VAL A 74 -3.586 15.485 -29.615 1.00 43.34 H new ATOM 0 HA VAL A 74 -5.811 14.764 -31.400 1.00 10.14 H new ATOM 0 HB VAL A 74 -6.151 15.775 -28.550 1.00 22.21 H new ATOM 0 HG11 VAL A 74 -8.502 15.141 -28.896 1.00 20.03 H new ATOM 0 HG12 VAL A 74 -7.966 16.361 -30.076 1.00 20.03 H new ATOM 0 HG13 VAL A 74 -8.122 14.657 -30.566 1.00 20.03 H new ATOM 0 HG21 VAL A 74 -6.898 13.499 -27.981 1.00 13.30 H new ATOM 0 HG22 VAL A 74 -6.451 12.949 -29.613 1.00 13.30 H new ATOM 0 HG23 VAL A 74 -5.194 13.526 -28.494 1.00 13.30 H new ATOM 1122 N SER A 75 -6.264 17.179 -31.894 1.00 72.14 N ATOM 1123 CA SER A 75 -6.372 18.569 -32.323 1.00 65.40 C ATOM 1124 C SER A 75 -7.745 19.138 -31.982 1.00 75.42 C ATOM 1125 O SER A 75 -8.760 18.450 -32.094 1.00 74.33 O ATOM 1126 CB SER A 75 -6.119 18.681 -33.828 1.00 13.22 C ATOM 1127 OG SER A 75 -7.336 18.827 -34.539 1.00 50.13 O ATOM 0 H SER A 75 -6.832 16.526 -32.434 1.00 72.14 H new ATOM 0 HA SER A 75 -5.617 19.148 -31.791 1.00 65.40 H new ATOM 0 HB2 SER A 75 -5.472 19.535 -34.029 1.00 13.22 H new ATOM 0 HB3 SER A 75 -5.593 17.793 -34.179 1.00 13.22 H new ATOM 0 HG SER A 75 -7.148 18.898 -35.498 1.00 50.13 H new ATOM 1133 N PHE A 76 -7.769 20.399 -31.565 1.00 55.22 N ATOM 1134 CA PHE A 76 -9.018 21.062 -31.207 1.00 2.14 C ATOM 1135 C PHE A 76 -8.947 22.556 -31.510 1.00 71.12 C ATOM 1136 O PHE A 76 -7.888 23.081 -31.853 1.00 42.04 O ATOM 1137 CB PHE A 76 -9.327 20.846 -29.724 1.00 32.32 C ATOM 1138 CG PHE A 76 -9.926 19.501 -29.426 1.00 72.25 C ATOM 1139 CD1 PHE A 76 -11.034 19.051 -30.126 1.00 15.41 C ATOM 1140 CD2 PHE A 76 -9.381 18.686 -28.447 1.00 11.30 C ATOM 1141 CE1 PHE A 76 -11.588 17.814 -29.855 1.00 40.11 C ATOM 1142 CE2 PHE A 76 -9.930 17.448 -28.172 1.00 41.01 C ATOM 1143 CZ PHE A 76 -11.035 17.012 -28.876 1.00 74.11 C ATOM 0 H PHE A 76 -6.938 20.983 -31.466 1.00 55.22 H new ATOM 0 HA PHE A 76 -9.817 20.625 -31.806 1.00 2.14 H new ATOM 0 HB2 PHE A 76 -8.408 20.961 -29.149 1.00 32.32 H new ATOM 0 HB3 PHE A 76 -10.013 21.623 -29.387 1.00 32.32 H new ATOM 0 HD1 PHE A 76 -11.470 19.674 -30.893 1.00 15.41 H new ATOM 0 HD2 PHE A 76 -8.517 19.022 -27.892 1.00 11.30 H new ATOM 0 HE1 PHE A 76 -12.452 17.475 -30.408 1.00 40.11 H new ATOM 0 HE2 PHE A 76 -9.495 16.822 -27.407 1.00 41.01 H new ATOM 0 HZ PHE A 76 -11.466 16.045 -28.661 1.00 74.11 H new ATOM 1153 N ASP A 77 -10.082 23.234 -31.382 1.00 33.31 N ATOM 1154 CA ASP A 77 -10.151 24.667 -31.642 1.00 5.13 C ATOM 1155 C ASP A 77 -10.672 25.417 -30.420 1.00 20.33 C ATOM 1156 O ASP A 77 -11.549 24.929 -29.706 1.00 64.33 O ATOM 1157 CB ASP A 77 -11.048 24.946 -32.848 1.00 53.21 C ATOM 1158 CG ASP A 77 -10.785 26.306 -33.464 1.00 4.32 C ATOM 1159 OD1 ASP A 77 -9.915 27.036 -32.942 1.00 34.23 O ATOM 1160 OD2 ASP A 77 -11.447 26.641 -34.468 1.00 63.11 O ATOM 0 H ASP A 77 -10.968 22.814 -31.100 1.00 33.31 H new ATOM 0 HA ASP A 77 -9.143 25.020 -31.860 1.00 5.13 H new ATOM 0 HB2 ASP A 77 -10.891 24.173 -33.600 1.00 53.21 H new ATOM 0 HB3 ASP A 77 -12.092 24.885 -32.542 1.00 53.21 H new ATOM 1165 N VAL A 78 -10.126 26.605 -30.183 1.00 41.44 N ATOM 1166 CA VAL A 78 -10.536 27.423 -29.048 1.00 23.23 C ATOM 1167 C VAL A 78 -11.094 28.764 -29.509 1.00 44.41 C ATOM 1168 O VAL A 78 -10.554 29.393 -30.421 1.00 14.11 O ATOM 1169 CB VAL A 78 -9.361 27.672 -28.083 1.00 12.02 C ATOM 1170 CG1 VAL A 78 -8.314 28.561 -28.735 1.00 45.21 C ATOM 1171 CG2 VAL A 78 -9.861 28.287 -26.784 1.00 64.01 C ATOM 0 H VAL A 78 -9.398 27.023 -30.762 1.00 41.44 H new ATOM 0 HA VAL A 78 -11.316 26.870 -28.525 1.00 23.23 H new ATOM 0 HB VAL A 78 -8.895 26.715 -27.850 1.00 12.02 H new ATOM 0 HG11 VAL A 78 -7.492 28.726 -28.039 1.00 45.21 H new ATOM 0 HG12 VAL A 78 -7.935 28.077 -29.635 1.00 45.21 H new ATOM 0 HG13 VAL A 78 -8.763 29.518 -28.999 1.00 45.21 H new ATOM 0 HG21 VAL A 78 -9.018 28.456 -26.114 1.00 64.01 H new ATOM 0 HG22 VAL A 78 -10.352 29.237 -26.996 1.00 64.01 H new ATOM 0 HG23 VAL A 78 -10.571 27.609 -26.310 1.00 64.01 H new ATOM 1181 N LEU A 79 -12.176 29.198 -28.874 1.00 14.54 N ATOM 1182 CA LEU A 79 -12.809 30.467 -29.218 1.00 45.31 C ATOM 1183 C LEU A 79 -13.325 31.175 -27.970 1.00 32.15 C ATOM 1184 O LEU A 79 -13.972 30.563 -27.119 1.00 41.22 O ATOM 1185 CB LEU A 79 -13.958 30.237 -30.200 1.00 74.32 C ATOM 1186 CG LEU A 79 -14.215 31.358 -31.208 1.00 71.52 C ATOM 1187 CD1 LEU A 79 -14.608 32.640 -30.492 1.00 10.12 C ATOM 1188 CD2 LEU A 79 -12.987 31.585 -32.077 1.00 62.33 C ATOM 0 H LEU A 79 -12.634 28.690 -28.117 1.00 14.54 H new ATOM 0 HA LEU A 79 -12.059 31.102 -29.689 1.00 45.31 H new ATOM 0 HB2 LEU A 79 -13.759 29.318 -30.752 1.00 74.32 H new ATOM 0 HB3 LEU A 79 -14.871 30.074 -29.628 1.00 74.32 H new ATOM 0 HG LEU A 79 -15.041 31.059 -31.853 1.00 71.52 H new ATOM 0 HD11 LEU A 79 -14.787 33.426 -31.225 1.00 10.12 H new ATOM 0 HD12 LEU A 79 -15.516 32.470 -29.914 1.00 10.12 H new ATOM 0 HD13 LEU A 79 -13.803 32.944 -29.823 1.00 10.12 H new ATOM 0 HD21 LEU A 79 -13.188 32.386 -32.788 1.00 62.33 H new ATOM 0 HD22 LEU A 79 -12.142 31.862 -31.447 1.00 62.33 H new ATOM 0 HD23 LEU A 79 -12.750 30.669 -32.619 1.00 62.33 H new ATOM 1200 N VAL A 80 -13.037 32.469 -27.867 1.00 32.42 N ATOM 1201 CA VAL A 80 -13.475 33.261 -26.724 1.00 34.10 C ATOM 1202 C VAL A 80 -14.754 34.028 -27.045 1.00 25.44 C ATOM 1203 O VAL A 80 -14.886 34.612 -28.120 1.00 72.50 O ATOM 1204 CB VAL A 80 -12.388 34.259 -26.283 1.00 32.21 C ATOM 1205 CG1 VAL A 80 -12.194 35.338 -27.337 1.00 70.22 C ATOM 1206 CG2 VAL A 80 -12.744 34.874 -24.938 1.00 33.11 C ATOM 0 H VAL A 80 -12.502 32.991 -28.561 1.00 32.42 H new ATOM 0 HA VAL A 80 -13.668 32.562 -25.910 1.00 34.10 H new ATOM 0 HB VAL A 80 -11.447 33.720 -26.173 1.00 32.21 H new ATOM 0 HG11 VAL A 80 -11.422 36.034 -27.008 1.00 70.22 H new ATOM 0 HG12 VAL A 80 -11.890 34.878 -28.277 1.00 70.22 H new ATOM 0 HG13 VAL A 80 -13.130 35.877 -27.483 1.00 70.22 H new ATOM 0 HG21 VAL A 80 -11.965 35.577 -24.642 1.00 33.11 H new ATOM 0 HG22 VAL A 80 -13.695 35.400 -25.019 1.00 33.11 H new ATOM 0 HG23 VAL A 80 -12.827 34.087 -24.189 1.00 33.11 H new ATOM 1216 N SER A 81 -15.692 34.022 -26.104 1.00 33.05 N ATOM 1217 CA SER A 81 -16.962 34.714 -26.287 1.00 14.43 C ATOM 1218 C SER A 81 -17.120 35.839 -25.268 1.00 31.23 C ATOM 1219 O SER A 81 -16.458 35.868 -24.230 1.00 50.21 O ATOM 1220 CB SER A 81 -18.127 33.730 -26.161 1.00 41.12 C ATOM 1221 OG SER A 81 -18.553 33.279 -27.435 1.00 41.03 O ATOM 0 H SER A 81 -15.597 33.546 -25.207 1.00 33.05 H new ATOM 0 HA SER A 81 -16.969 35.148 -27.287 1.00 14.43 H new ATOM 0 HB2 SER A 81 -17.823 32.878 -25.553 1.00 41.12 H new ATOM 0 HB3 SER A 81 -18.958 34.210 -25.645 1.00 41.12 H new ATOM 0 HG SER A 81 -19.297 32.650 -27.327 1.00 41.03 H new ATOM 1227 N PRO A 82 -18.019 36.788 -25.569 1.00 64.14 N ATOM 1228 CA PRO A 82 -18.286 37.932 -24.693 1.00 43.31 C ATOM 1229 C PRO A 82 -19.001 37.525 -23.410 1.00 12.05 C ATOM 1230 O PRO A 82 -20.196 37.226 -23.420 1.00 4.40 O ATOM 1231 CB PRO A 82 -19.186 38.829 -25.546 1.00 14.42 C ATOM 1232 CG PRO A 82 -19.846 37.901 -26.506 1.00 32.32 C ATOM 1233 CD PRO A 82 -18.843 36.817 -26.789 1.00 33.41 C ATOM 0 HA PRO A 82 -17.367 38.417 -24.364 1.00 43.31 H new ATOM 0 HB2 PRO A 82 -19.920 39.351 -24.932 1.00 14.42 H new ATOM 0 HB3 PRO A 82 -18.606 39.591 -26.067 1.00 14.42 H new ATOM 0 HG2 PRO A 82 -20.760 37.486 -26.082 1.00 32.32 H new ATOM 0 HG3 PRO A 82 -20.127 38.421 -27.422 1.00 32.32 H new ATOM 0 HD2 PRO A 82 -19.328 35.858 -26.969 1.00 33.41 H new ATOM 0 HD3 PRO A 82 -18.246 37.043 -27.672 1.00 33.41 H new