USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 639 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 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= -0.38 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.171 K(o=-0.17,f=-1.4!) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0383 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.567 K(o=-0.57,f=-0.062) USER MOD Single : A 43 GLN : amide:sc= -2.38! K(o=-2.4!,f=-0.88) USER MOD Single : A 44 TYR OH : rot -70:sc= 1.24 USER MOD Single : A 46 SER OG : rot 180:sc= 0.11 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -3.73! C(o=-3.7!,f=-3.6!) USER MOD Single : A 57 HIS : no HD1:sc= -0.0247 X(o=-0.025,f=-0.013) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.186 K(o=-0.19,f=-0.97) USER MOD Single : A 64 MET CE :methyl 158:sc= -0.617 (180deg=-1.29) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.259 K(o=-0.26,f=-2.9!) USER MOD Single : A 79 HIS : no HE2:sc= -3! C(o=-3!,f=-3.7!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 89 SER OG : rot -22:sc= 0.285 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -0.339 X(o=-0.34,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 13.933 -0.474 -2.355 1.00 0.00 N ATOM 2 CA MET A 21 14.112 0.923 -2.735 1.00 52.33 C ATOM 3 C MET A 21 13.609 1.168 -4.155 1.00 63.31 C ATOM 4 O MET A 21 14.262 1.852 -4.944 1.00 71.25 O ATOM 5 CB MET A 21 15.586 1.317 -2.629 1.00 2.52 C ATOM 6 CG MET A 21 16.064 1.498 -1.198 1.00 60.21 C ATOM 7 SD MET A 21 17.161 2.916 -1.005 1.00 13.12 S ATOM 8 CE MET A 21 18.598 2.136 -0.272 1.00 51.14 C ATOM 0 HA MET A 21 13.529 1.538 -2.050 1.00 52.33 H new ATOM 0 HB2 MET A 21 16.194 0.552 -3.113 1.00 2.52 H new ATOM 0 HB3 MET A 21 15.746 2.245 -3.177 1.00 2.52 H new ATOM 0 HG2 MET A 21 15.201 1.620 -0.544 1.00 60.21 H new ATOM 0 HG3 MET A 21 16.583 0.595 -0.876 1.00 60.21 H new ATOM 0 HE1 MET A 21 19.367 2.887 -0.092 1.00 51.14 H new ATOM 0 HE2 MET A 21 18.317 1.671 0.673 1.00 51.14 H new ATOM 0 HE3 MET A 21 18.985 1.375 -0.950 1.00 51.14 H new ATOM 18 N ILE A 22 12.448 0.606 -4.472 1.00 72.20 N ATOM 19 CA ILE A 22 11.858 0.766 -5.795 1.00 74.31 C ATOM 20 C ILE A 22 10.415 1.245 -5.701 1.00 3.25 C ATOM 21 O ILE A 22 9.584 0.620 -5.041 1.00 53.33 O ATOM 22 CB ILE A 22 11.898 -0.552 -6.591 1.00 25.52 C ATOM 23 CG1 ILE A 22 13.296 -1.173 -6.524 1.00 4.05 C ATOM 24 CG2 ILE A 22 11.489 -0.311 -8.037 1.00 31.33 C ATOM 25 CD1 ILE A 22 13.389 -2.351 -5.580 1.00 51.51 C ATOM 0 H ILE A 22 11.897 0.036 -3.831 1.00 72.20 H new ATOM 0 HA ILE A 22 12.453 1.516 -6.316 1.00 74.31 H new ATOM 0 HB ILE A 22 11.189 -1.249 -6.144 1.00 25.52 H new ATOM 0 HG12 ILE A 22 13.590 -1.494 -7.523 1.00 4.05 H new ATOM 0 HG13 ILE A 22 14.009 -0.410 -6.212 1.00 4.05 H new ATOM 0 HG21 ILE A 22 11.522 -1.252 -8.586 1.00 31.33 H new ATOM 0 HG22 ILE A 22 10.476 0.091 -8.067 1.00 31.33 H new ATOM 0 HG23 ILE A 22 12.175 0.401 -8.495 1.00 31.33 H new ATOM 0 HD11 ILE A 22 14.407 -2.740 -5.583 1.00 51.51 H new ATOM 0 HD12 ILE A 22 13.126 -2.031 -4.572 1.00 51.51 H new ATOM 0 HD13 ILE A 22 12.701 -3.132 -5.904 1.00 51.51 H new ATOM 37 N SER A 23 10.122 2.358 -6.365 1.00 14.52 N ATOM 38 CA SER A 23 8.777 2.924 -6.355 1.00 24.41 C ATOM 39 C SER A 23 8.567 3.848 -7.550 1.00 72.30 C ATOM 40 O SER A 23 7.746 3.573 -8.424 1.00 61.10 O ATOM 41 CB SER A 23 8.535 3.691 -5.053 1.00 15.33 C ATOM 42 OG SER A 23 9.594 3.484 -4.134 1.00 3.43 O ATOM 0 H SER A 23 10.798 2.886 -6.917 1.00 14.52 H new ATOM 0 HA SER A 23 8.063 2.103 -6.424 1.00 24.41 H new ATOM 0 HB2 SER A 23 8.438 4.755 -5.267 1.00 15.33 H new ATOM 0 HB3 SER A 23 7.594 3.369 -4.607 1.00 15.33 H new ATOM 0 HG SER A 23 9.416 3.986 -3.311 1.00 3.43 H new ATOM 48 N GLY A 24 9.317 4.946 -7.582 1.00 24.14 N ATOM 49 CA GLY A 24 9.198 5.894 -8.674 1.00 51.04 C ATOM 50 C GLY A 24 9.102 7.327 -8.189 1.00 72.32 C ATOM 51 O GLY A 24 10.093 7.908 -7.745 1.00 12.03 O ATOM 0 H GLY A 24 10.005 5.195 -6.871 1.00 24.14 H new ATOM 0 HA2 GLY A 24 10.060 5.794 -9.334 1.00 51.04 H new ATOM 0 HA3 GLY A 24 8.314 5.654 -9.265 1.00 51.04 H new ATOM 55 N LEU A 25 7.906 7.899 -8.274 1.00 31.11 N ATOM 56 CA LEU A 25 7.684 9.275 -7.843 1.00 21.41 C ATOM 57 C LEU A 25 7.014 9.314 -6.473 1.00 34.34 C ATOM 58 O LEU A 25 6.584 8.285 -5.952 1.00 44.25 O ATOM 59 CB LEU A 25 6.823 10.019 -8.864 1.00 14.10 C ATOM 60 CG LEU A 25 7.522 11.129 -9.650 1.00 4.43 C ATOM 61 CD1 LEU A 25 6.711 11.504 -10.881 1.00 51.30 C ATOM 62 CD2 LEU A 25 7.749 12.347 -8.766 1.00 33.24 C ATOM 0 H LEU A 25 7.075 7.432 -8.637 1.00 31.11 H new ATOM 0 HA LEU A 25 8.654 9.767 -7.769 1.00 21.41 H new ATOM 0 HB2 LEU A 25 6.427 9.293 -9.574 1.00 14.10 H new ATOM 0 HB3 LEU A 25 5.970 10.453 -8.343 1.00 14.10 H new ATOM 0 HG LEU A 25 8.493 10.759 -9.980 1.00 4.43 H new ATOM 0 HD11 LEU A 25 7.224 12.295 -11.428 1.00 51.30 H new ATOM 0 HD12 LEU A 25 6.601 10.631 -11.524 1.00 51.30 H new ATOM 0 HD13 LEU A 25 5.726 11.855 -10.574 1.00 51.30 H new ATOM 0 HD21 LEU A 25 8.247 13.127 -9.342 1.00 33.24 H new ATOM 0 HD22 LEU A 25 6.790 12.719 -8.406 1.00 33.24 H new ATOM 0 HD23 LEU A 25 8.373 12.069 -7.916 1.00 33.24 H new ATOM 74 N ARG A 26 6.928 10.508 -5.896 1.00 43.30 N ATOM 75 CA ARG A 26 6.309 10.681 -4.587 1.00 70.54 C ATOM 76 C ARG A 26 5.018 11.487 -4.698 1.00 71.23 C ATOM 77 O ARG A 26 3.929 10.973 -4.440 1.00 53.32 O ATOM 78 CB ARG A 26 7.277 11.379 -3.630 1.00 60.41 C ATOM 79 CG ARG A 26 8.587 10.633 -3.438 1.00 35.33 C ATOM 80 CD ARG A 26 9.785 11.530 -3.714 1.00 33.14 C ATOM 81 NE ARG A 26 10.282 12.167 -2.498 1.00 43.10 N ATOM 82 CZ ARG A 26 11.501 12.683 -2.384 1.00 51.43 C ATOM 83 NH1 ARG A 26 12.342 12.636 -3.409 1.00 64.12 N ATOM 84 NH2 ARG A 26 11.881 13.247 -1.245 1.00 24.53 N ATOM 0 H ARG A 26 7.279 11.370 -6.314 1.00 43.30 H new ATOM 0 HA ARG A 26 6.068 9.693 -4.194 1.00 70.54 H new ATOM 0 HB2 ARG A 26 7.490 12.379 -4.008 1.00 60.41 H new ATOM 0 HB3 ARG A 26 6.792 11.501 -2.661 1.00 60.41 H new ATOM 0 HG2 ARG A 26 8.644 10.252 -2.418 1.00 35.33 H new ATOM 0 HG3 ARG A 26 8.616 9.770 -4.103 1.00 35.33 H new ATOM 0 HD2 ARG A 26 10.583 10.941 -4.167 1.00 33.14 H new ATOM 0 HD3 ARG A 26 9.505 12.297 -4.437 1.00 33.14 H new ATOM 0 HE ARG A 26 9.659 12.219 -1.692 1.00 43.10 H new ATOM 0 HH11 ARG A 26 12.053 12.203 -4.286 1.00 64.12 H new ATOM 0 HH12 ARG A 26 13.277 13.033 -3.320 1.00 64.12 H new ATOM 0 HH21 ARG A 26 11.237 13.285 -0.455 1.00 24.53 H new ATOM 0 HH22 ARG A 26 12.817 13.643 -1.159 1.00 24.53 H new ATOM 98 N THR A 27 5.147 12.753 -5.084 1.00 74.20 N ATOM 99 CA THR A 27 3.992 13.629 -5.227 1.00 3.15 C ATOM 100 C THR A 27 4.085 14.456 -6.505 1.00 11.44 C ATOM 101 O THR A 27 5.093 14.416 -7.210 1.00 13.24 O ATOM 102 CB THR A 27 3.855 14.580 -4.023 1.00 64.45 C ATOM 103 OG1 THR A 27 5.023 15.400 -3.911 1.00 75.14 O ATOM 104 CG2 THR A 27 3.655 13.796 -2.735 1.00 62.34 C ATOM 0 H THR A 27 6.040 13.194 -5.303 1.00 74.20 H new ATOM 0 HA THR A 27 3.112 12.987 -5.275 1.00 3.15 H new ATOM 0 HB THR A 27 2.982 15.212 -4.185 1.00 64.45 H new ATOM 0 HG1 THR A 27 4.927 16.003 -3.144 1.00 75.14 H new ATOM 0 HG21 THR A 27 3.561 14.488 -1.898 1.00 62.34 H new ATOM 0 HG22 THR A 27 2.749 13.195 -2.812 1.00 62.34 H new ATOM 0 HG23 THR A 27 4.512 13.142 -2.570 1.00 62.34 H new ATOM 112 N LEU A 28 3.028 15.206 -6.797 1.00 61.05 N ATOM 113 CA LEU A 28 2.991 16.044 -7.991 1.00 24.32 C ATOM 114 C LEU A 28 2.069 17.241 -7.786 1.00 71.42 C ATOM 115 O LEU A 28 1.491 17.761 -8.740 1.00 42.34 O ATOM 116 CB LEU A 28 2.524 15.227 -9.197 1.00 1.20 C ATOM 117 CG LEU A 28 3.526 14.210 -9.746 1.00 31.40 C ATOM 118 CD1 LEU A 28 3.292 12.842 -9.124 1.00 43.04 C ATOM 119 CD2 LEU A 28 3.429 14.132 -11.262 1.00 12.14 C ATOM 0 H LEU A 28 2.185 15.251 -6.224 1.00 61.05 H new ATOM 0 HA LEU A 28 4.000 16.413 -8.178 1.00 24.32 H new ATOM 0 HB2 LEU A 28 1.613 14.697 -8.921 1.00 1.20 H new ATOM 0 HB3 LEU A 28 2.261 15.917 -9.999 1.00 1.20 H new ATOM 0 HG LEU A 28 4.531 14.539 -9.483 1.00 31.40 H new ATOM 0 HD11 LEU A 28 4.014 12.131 -9.526 1.00 43.04 H new ATOM 0 HD12 LEU A 28 3.412 12.909 -8.043 1.00 43.04 H new ATOM 0 HD13 LEU A 28 2.282 12.504 -9.357 1.00 43.04 H new ATOM 0 HD21 LEU A 28 4.149 13.404 -11.636 1.00 12.14 H new ATOM 0 HD22 LEU A 28 2.422 13.826 -11.547 1.00 12.14 H new ATOM 0 HD23 LEU A 28 3.646 15.110 -11.691 1.00 12.14 H new ATOM 131 N GLU A 29 1.938 17.676 -6.536 1.00 71.21 N ATOM 132 CA GLU A 29 1.087 18.813 -6.207 1.00 54.42 C ATOM 133 C GLU A 29 -0.353 18.558 -6.643 1.00 50.35 C ATOM 134 O GLU A 29 -1.046 19.470 -7.092 1.00 23.30 O ATOM 135 CB GLU A 29 1.616 20.084 -6.876 1.00 64.24 C ATOM 136 CG GLU A 29 1.644 21.290 -5.954 1.00 53.41 C ATOM 137 CD GLU A 29 2.928 21.383 -5.152 1.00 22.11 C ATOM 138 OE1 GLU A 29 3.359 20.347 -4.604 1.00 22.55 O ATOM 139 OE2 GLU A 29 3.500 22.490 -5.072 1.00 0.41 O ATOM 0 H GLU A 29 2.411 17.258 -5.735 1.00 71.21 H new ATOM 0 HA GLU A 29 1.103 18.946 -5.125 1.00 54.42 H new ATOM 0 HB2 GLU A 29 2.624 19.897 -7.246 1.00 64.24 H new ATOM 0 HB3 GLU A 29 0.996 20.314 -7.742 1.00 64.24 H new ATOM 0 HG2 GLU A 29 1.523 22.198 -6.546 1.00 53.41 H new ATOM 0 HG3 GLU A 29 0.796 21.240 -5.271 1.00 53.41 H new ATOM 146 N GLN A 30 -0.796 17.312 -6.505 1.00 11.21 N ATOM 147 CA GLN A 30 -2.152 16.937 -6.885 1.00 53.41 C ATOM 148 C GLN A 30 -3.160 17.418 -5.847 1.00 1.24 C ATOM 149 O GLN A 30 -2.934 17.291 -4.643 1.00 70.32 O ATOM 150 CB GLN A 30 -2.257 15.420 -7.051 1.00 14.42 C ATOM 151 CG GLN A 30 -2.045 14.650 -5.758 1.00 43.14 C ATOM 152 CD GLN A 30 -1.302 13.347 -5.970 1.00 14.25 C ATOM 153 OE1 GLN A 30 -0.461 13.235 -6.863 1.00 75.34 O ATOM 154 NE2 GLN A 30 -1.610 12.349 -5.149 1.00 41.52 N ATOM 0 H GLN A 30 -0.235 16.546 -6.133 1.00 11.21 H new ATOM 0 HA GLN A 30 -2.381 17.416 -7.837 1.00 53.41 H new ATOM 0 HB2 GLN A 30 -3.240 15.174 -7.453 1.00 14.42 H new ATOM 0 HB3 GLN A 30 -1.521 15.091 -7.785 1.00 14.42 H new ATOM 0 HG2 GLN A 30 -1.488 15.271 -5.057 1.00 43.14 H new ATOM 0 HG3 GLN A 30 -3.012 14.442 -5.301 1.00 43.14 H new ATOM 0 HE21 GLN A 30 -2.313 12.485 -4.423 1.00 41.52 H new ATOM 0 HE22 GLN A 30 -1.143 11.447 -5.245 1.00 41.52 H new ATOM 163 N SER A 31 -4.273 17.969 -6.320 1.00 15.30 N ATOM 164 CA SER A 31 -5.315 18.473 -5.433 1.00 20.14 C ATOM 165 C SER A 31 -6.294 17.364 -5.060 1.00 72.11 C ATOM 166 O SER A 31 -6.205 16.245 -5.566 1.00 2.02 O ATOM 167 CB SER A 31 -6.065 19.629 -6.096 1.00 15.13 C ATOM 168 OG SER A 31 -6.849 20.337 -5.152 1.00 35.43 O ATOM 0 H SER A 31 -4.477 18.078 -7.314 1.00 15.30 H new ATOM 0 HA SER A 31 -4.838 18.835 -4.522 1.00 20.14 H new ATOM 0 HB2 SER A 31 -5.352 20.308 -6.564 1.00 15.13 H new ATOM 0 HB3 SER A 31 -6.706 19.244 -6.889 1.00 15.13 H new ATOM 0 HG SER A 31 -7.317 21.072 -5.601 1.00 35.43 H new ATOM 174 N VAL A 32 -7.228 17.682 -4.168 1.00 21.10 N ATOM 175 CA VAL A 32 -8.224 16.714 -3.727 1.00 5.34 C ATOM 176 C VAL A 32 -8.980 16.125 -4.913 1.00 4.34 C ATOM 177 O VAL A 32 -9.086 14.907 -5.052 1.00 0.24 O ATOM 178 CB VAL A 32 -9.234 17.353 -2.755 1.00 43.33 C ATOM 179 CG1 VAL A 32 -10.313 16.351 -2.372 1.00 72.24 C ATOM 180 CG2 VAL A 32 -8.522 17.879 -1.518 1.00 3.55 C ATOM 0 H VAL A 32 -7.315 18.603 -3.737 1.00 21.10 H new ATOM 0 HA VAL A 32 -7.687 15.918 -3.211 1.00 5.34 H new ATOM 0 HB VAL A 32 -9.713 18.194 -3.257 1.00 43.33 H new ATOM 0 HG11 VAL A 32 -11.018 16.820 -1.685 1.00 72.24 H new ATOM 0 HG12 VAL A 32 -10.842 16.025 -3.268 1.00 72.24 H new ATOM 0 HG13 VAL A 32 -9.854 15.489 -1.888 1.00 72.24 H new ATOM 0 HG21 VAL A 32 -9.250 18.327 -0.842 1.00 3.55 H new ATOM 0 HG22 VAL A 32 -8.016 17.057 -1.012 1.00 3.55 H new ATOM 0 HG23 VAL A 32 -7.789 18.631 -1.812 1.00 3.55 H new ATOM 190 N GLY A 33 -9.505 16.997 -5.766 1.00 71.41 N ATOM 191 CA GLY A 33 -10.245 16.545 -6.930 1.00 1.03 C ATOM 192 C GLY A 33 -9.445 15.584 -7.787 1.00 4.54 C ATOM 193 O GLY A 33 -9.797 14.410 -7.908 1.00 23.33 O ATOM 0 H GLY A 33 -9.431 18.010 -5.672 1.00 71.41 H new ATOM 0 HA2 GLY A 33 -11.165 16.059 -6.606 1.00 1.03 H new ATOM 0 HA3 GLY A 33 -10.535 17.407 -7.530 1.00 1.03 H new ATOM 197 N GLU A 34 -8.368 16.082 -8.386 1.00 14.20 N ATOM 198 CA GLU A 34 -7.518 15.259 -9.238 1.00 2.12 C ATOM 199 C GLU A 34 -7.107 13.977 -8.520 1.00 53.45 C ATOM 200 O GLU A 34 -7.200 12.884 -9.078 1.00 72.43 O ATOM 201 CB GLU A 34 -6.274 16.041 -9.663 1.00 30.02 C ATOM 202 CG GLU A 34 -5.235 15.190 -10.375 1.00 30.44 C ATOM 203 CD GLU A 34 -5.748 14.610 -11.678 1.00 41.34 C ATOM 204 OE1 GLU A 34 -5.990 15.393 -12.621 1.00 13.54 O ATOM 205 OE2 GLU A 34 -5.909 13.374 -11.756 1.00 3.31 O ATOM 0 H GLU A 34 -8.063 17.051 -8.297 1.00 14.20 H new ATOM 0 HA GLU A 34 -8.089 14.990 -10.126 1.00 2.12 H new ATOM 0 HB2 GLU A 34 -6.575 16.857 -10.320 1.00 30.02 H new ATOM 0 HB3 GLU A 34 -5.820 16.492 -8.781 1.00 30.02 H new ATOM 0 HG2 GLU A 34 -4.351 15.795 -10.575 1.00 30.44 H new ATOM 0 HG3 GLU A 34 -4.924 14.378 -9.718 1.00 30.44 H new ATOM 212 N TRP A 35 -6.652 14.120 -7.281 1.00 34.44 N ATOM 213 CA TRP A 35 -6.225 12.974 -6.487 1.00 74.51 C ATOM 214 C TRP A 35 -7.302 11.894 -6.466 1.00 42.13 C ATOM 215 O TRP A 35 -7.050 10.745 -6.826 1.00 42.12 O ATOM 216 CB TRP A 35 -5.897 13.411 -5.058 1.00 72.25 C ATOM 217 CG TRP A 35 -5.648 12.263 -4.128 1.00 42.51 C ATOM 218 CD1 TRP A 35 -5.009 11.093 -4.423 1.00 34.01 C ATOM 219 CD2 TRP A 35 -6.035 12.175 -2.752 1.00 43.01 C ATOM 220 NE1 TRP A 35 -4.976 10.282 -3.313 1.00 22.00 N ATOM 221 CE2 TRP A 35 -5.598 10.924 -2.275 1.00 40.11 C ATOM 222 CE3 TRP A 35 -6.707 13.032 -1.877 1.00 34.34 C ATOM 223 CZ2 TRP A 35 -5.814 10.512 -0.963 1.00 54.43 C ATOM 224 CZ3 TRP A 35 -6.920 12.621 -0.575 1.00 62.41 C ATOM 225 CH2 TRP A 35 -6.474 11.371 -0.128 1.00 53.30 C ATOM 0 H TRP A 35 -6.569 15.018 -6.804 1.00 34.44 H new ATOM 0 HA TRP A 35 -5.329 12.559 -6.948 1.00 74.51 H new ATOM 0 HB2 TRP A 35 -5.016 14.053 -5.075 1.00 72.25 H new ATOM 0 HB3 TRP A 35 -6.721 14.011 -4.671 1.00 72.25 H new ATOM 0 HD1 TRP A 35 -4.591 10.841 -5.387 1.00 34.01 H new ATOM 0 HE1 TRP A 35 -4.557 9.353 -3.270 1.00 22.00 H new ATOM 0 HE3 TRP A 35 -7.054 13.998 -2.212 1.00 34.34 H new ATOM 0 HZ2 TRP A 35 -5.472 9.548 -0.617 1.00 54.43 H new ATOM 0 HZ3 TRP A 35 -7.439 13.275 0.110 1.00 62.41 H new ATOM 0 HH2 TRP A 35 -6.655 11.080 0.896 1.00 53.30 H new ATOM 236 N LEU A 36 -8.504 12.272 -6.041 1.00 32.21 N ATOM 237 CA LEU A 36 -9.620 11.335 -5.974 1.00 63.31 C ATOM 238 C LEU A 36 -10.022 10.866 -7.368 1.00 40.04 C ATOM 239 O LEU A 36 -10.518 9.753 -7.539 1.00 0.32 O ATOM 240 CB LEU A 36 -10.816 11.987 -5.278 1.00 64.11 C ATOM 241 CG LEU A 36 -10.580 12.466 -3.845 1.00 54.14 C ATOM 242 CD1 LEU A 36 -11.513 13.618 -3.506 1.00 32.45 C ATOM 243 CD2 LEU A 36 -10.767 11.319 -2.862 1.00 61.13 C ATOM 0 H LEU A 36 -8.730 13.220 -5.738 1.00 32.21 H new ATOM 0 HA LEU A 36 -9.300 10.467 -5.398 1.00 63.31 H new ATOM 0 HB2 LEU A 36 -11.139 12.839 -5.876 1.00 64.11 H new ATOM 0 HB3 LEU A 36 -11.640 11.273 -5.270 1.00 64.11 H new ATOM 0 HG LEU A 36 -9.553 12.823 -3.766 1.00 54.14 H new ATOM 0 HD11 LEU A 36 -11.330 13.945 -2.482 1.00 32.45 H new ATOM 0 HD12 LEU A 36 -11.331 14.447 -4.190 1.00 32.45 H new ATOM 0 HD13 LEU A 36 -12.548 13.289 -3.602 1.00 32.45 H new ATOM 0 HD21 LEU A 36 -10.595 11.678 -1.847 1.00 61.13 H new ATOM 0 HD22 LEU A 36 -11.783 10.932 -2.943 1.00 61.13 H new ATOM 0 HD23 LEU A 36 -10.057 10.524 -3.091 1.00 61.13 H new ATOM 255 N GLU A 37 -9.802 11.721 -8.361 1.00 14.23 N ATOM 256 CA GLU A 37 -10.140 11.392 -9.741 1.00 44.15 C ATOM 257 C GLU A 37 -9.251 10.270 -10.266 1.00 3.12 C ATOM 258 O GLU A 37 -9.652 9.505 -11.145 1.00 3.23 O ATOM 259 CB GLU A 37 -10.000 12.628 -10.632 1.00 0.32 C ATOM 260 CG GLU A 37 -11.315 13.099 -11.231 1.00 25.55 C ATOM 261 CD GLU A 37 -11.348 12.970 -12.742 1.00 54.15 C ATOM 262 OE1 GLU A 37 -10.953 13.936 -13.428 1.00 22.41 O ATOM 263 OE2 GLU A 37 -11.768 11.904 -13.237 1.00 72.55 O ATOM 0 H GLU A 37 -9.391 12.646 -8.236 1.00 14.23 H new ATOM 0 HA GLU A 37 -11.175 11.052 -9.763 1.00 44.15 H new ATOM 0 HB2 GLU A 37 -9.565 13.439 -10.048 1.00 0.32 H new ATOM 0 HB3 GLU A 37 -9.302 12.407 -11.439 1.00 0.32 H new ATOM 0 HG2 GLU A 37 -12.133 12.520 -10.803 1.00 25.55 H new ATOM 0 HG3 GLU A 37 -11.483 14.140 -10.955 1.00 25.55 H new ATOM 270 N SER A 38 -8.042 10.176 -9.722 1.00 41.52 N ATOM 271 CA SER A 38 -7.093 9.150 -10.138 1.00 43.50 C ATOM 272 C SER A 38 -7.517 7.778 -9.623 1.00 44.21 C ATOM 273 O SER A 38 -7.114 6.748 -10.165 1.00 32.52 O ATOM 274 CB SER A 38 -5.690 9.487 -9.631 1.00 63.23 C ATOM 275 OG SER A 38 -4.723 9.311 -10.652 1.00 32.02 O ATOM 0 H SER A 38 -7.696 10.798 -8.992 1.00 41.52 H new ATOM 0 HA SER A 38 -7.080 9.122 -11.228 1.00 43.50 H new ATOM 0 HB2 SER A 38 -5.666 10.517 -9.277 1.00 63.23 H new ATOM 0 HB3 SER A 38 -5.445 8.851 -8.780 1.00 63.23 H new ATOM 0 HG SER A 38 -3.835 9.534 -10.303 1.00 32.02 H new ATOM 281 N ILE A 39 -8.331 7.773 -8.573 1.00 24.35 N ATOM 282 CA ILE A 39 -8.810 6.528 -7.985 1.00 60.42 C ATOM 283 C ILE A 39 -10.271 6.277 -8.345 1.00 1.15 C ATOM 284 O ILE A 39 -10.758 5.151 -8.253 1.00 3.33 O ATOM 285 CB ILE A 39 -8.666 6.538 -6.451 1.00 4.50 C ATOM 286 CG1 ILE A 39 -9.537 7.638 -5.842 1.00 20.12 C ATOM 287 CG2 ILE A 39 -7.208 6.730 -6.058 1.00 42.04 C ATOM 288 CD1 ILE A 39 -9.601 7.591 -4.332 1.00 5.35 C ATOM 0 H ILE A 39 -8.673 8.616 -8.112 1.00 24.35 H new ATOM 0 HA ILE A 39 -8.194 5.728 -8.395 1.00 60.42 H new ATOM 0 HB ILE A 39 -9.004 5.577 -6.062 1.00 4.50 H new ATOM 0 HG12 ILE A 39 -9.151 8.609 -6.151 1.00 20.12 H new ATOM 0 HG13 ILE A 39 -10.547 7.554 -6.243 1.00 20.12 H new ATOM 0 HG21 ILE A 39 -7.122 6.735 -4.971 1.00 42.04 H new ATOM 0 HG22 ILE A 39 -6.611 5.914 -6.466 1.00 42.04 H new ATOM 0 HG23 ILE A 39 -6.846 7.678 -6.455 1.00 42.04 H new ATOM 0 HD11 ILE A 39 -10.236 8.400 -3.969 1.00 5.35 H new ATOM 0 HD12 ILE A 39 -10.016 6.634 -4.015 1.00 5.35 H new ATOM 0 HD13 ILE A 39 -8.598 7.705 -3.922 1.00 5.35 H new ATOM 300 N GLY A 40 -10.963 7.334 -8.756 1.00 71.22 N ATOM 301 CA GLY A 40 -12.362 7.207 -9.125 1.00 52.30 C ATOM 302 C GLY A 40 -13.297 7.548 -7.982 1.00 71.13 C ATOM 303 O GLY A 40 -14.448 7.109 -7.959 1.00 33.14 O ATOM 0 H GLY A 40 -10.581 8.276 -8.840 1.00 71.22 H new ATOM 0 HA2 GLY A 40 -12.572 7.862 -9.970 1.00 52.30 H new ATOM 0 HA3 GLY A 40 -12.556 6.187 -9.457 1.00 52.30 H new ATOM 307 N LEU A 41 -12.803 8.331 -7.029 1.00 43.40 N ATOM 308 CA LEU A 41 -13.602 8.730 -5.876 1.00 52.32 C ATOM 309 C LEU A 41 -13.819 10.240 -5.860 1.00 52.54 C ATOM 310 O LEU A 41 -14.246 10.804 -4.853 1.00 74.32 O ATOM 311 CB LEU A 41 -12.920 8.287 -4.580 1.00 71.33 C ATOM 312 CG LEU A 41 -13.851 7.923 -3.423 1.00 41.42 C ATOM 313 CD1 LEU A 41 -14.719 6.730 -3.791 1.00 31.25 C ATOM 314 CD2 LEU A 41 -13.047 7.632 -2.164 1.00 14.14 C ATOM 0 H LEU A 41 -11.853 8.702 -7.032 1.00 43.40 H new ATOM 0 HA LEU A 41 -14.574 8.243 -5.952 1.00 52.32 H new ATOM 0 HB2 LEU A 41 -12.292 7.424 -4.800 1.00 71.33 H new ATOM 0 HB3 LEU A 41 -12.258 9.087 -4.249 1.00 71.33 H new ATOM 0 HG LEU A 41 -14.504 8.773 -3.225 1.00 41.42 H new ATOM 0 HD11 LEU A 41 -15.375 6.486 -2.955 1.00 31.25 H new ATOM 0 HD12 LEU A 41 -15.322 6.975 -4.666 1.00 31.25 H new ATOM 0 HD13 LEU A 41 -14.084 5.873 -4.016 1.00 31.25 H new ATOM 0 HD21 LEU A 41 -13.725 7.375 -1.350 1.00 14.14 H new ATOM 0 HD22 LEU A 41 -12.370 6.798 -2.349 1.00 14.14 H new ATOM 0 HD23 LEU A 41 -12.469 8.514 -1.889 1.00 14.14 H new ATOM 326 N GLN A 42 -13.522 10.888 -6.982 1.00 45.22 N ATOM 327 CA GLN A 42 -13.686 12.332 -7.096 1.00 5.41 C ATOM 328 C GLN A 42 -15.115 12.745 -6.765 1.00 10.21 C ATOM 329 O GLN A 42 -15.369 13.891 -6.393 1.00 21.41 O ATOM 330 CB GLN A 42 -13.321 12.798 -8.507 1.00 41.24 C ATOM 331 CG GLN A 42 -12.896 14.256 -8.576 1.00 13.20 C ATOM 332 CD GLN A 42 -13.838 15.099 -9.413 1.00 4.11 C ATOM 333 OE1 GLN A 42 -14.285 16.162 -8.984 1.00 55.42 O ATOM 334 NE2 GLN A 42 -14.144 14.628 -10.616 1.00 33.04 N ATOM 0 H GLN A 42 -13.167 10.436 -7.824 1.00 45.22 H new ATOM 0 HA GLN A 42 -13.015 12.806 -6.380 1.00 5.41 H new ATOM 0 HB2 GLN A 42 -12.513 12.174 -8.889 1.00 41.24 H new ATOM 0 HB3 GLN A 42 -14.178 12.647 -9.164 1.00 41.24 H new ATOM 0 HG2 GLN A 42 -12.848 14.665 -7.567 1.00 13.20 H new ATOM 0 HG3 GLN A 42 -11.891 14.318 -8.993 1.00 13.20 H new ATOM 0 HE21 GLN A 42 -13.750 13.742 -10.932 1.00 33.04 H new ATOM 0 HE22 GLN A 42 -14.773 15.153 -11.224 1.00 33.04 H new ATOM 343 N GLN A 43 -16.045 11.805 -6.904 1.00 23.01 N ATOM 344 CA GLN A 43 -17.450 12.074 -6.620 1.00 42.31 C ATOM 345 C GLN A 43 -17.655 12.396 -5.143 1.00 31.15 C ATOM 346 O GLN A 43 -18.511 13.207 -4.787 1.00 2.15 O ATOM 347 CB GLN A 43 -18.311 10.873 -7.017 1.00 30.54 C ATOM 348 CG GLN A 43 -17.962 9.599 -6.265 1.00 13.14 C ATOM 349 CD GLN A 43 -17.747 8.417 -7.189 1.00 4.30 C ATOM 350 OE1 GLN A 43 -18.345 8.336 -8.262 1.00 75.43 O ATOM 351 NE2 GLN A 43 -16.889 7.491 -6.775 1.00 32.55 N ATOM 0 H GLN A 43 -15.851 10.852 -7.211 1.00 23.01 H new ATOM 0 HA GLN A 43 -17.754 12.940 -7.207 1.00 42.31 H new ATOM 0 HB2 GLN A 43 -19.359 11.114 -6.840 1.00 30.54 H new ATOM 0 HB3 GLN A 43 -18.201 10.695 -8.087 1.00 30.54 H new ATOM 0 HG2 GLN A 43 -17.059 9.764 -5.677 1.00 13.14 H new ATOM 0 HG3 GLN A 43 -18.762 9.365 -5.562 1.00 13.14 H new ATOM 0 HE21 GLN A 43 -16.416 7.599 -5.878 1.00 32.55 H new ATOM 0 HE22 GLN A 43 -16.704 6.672 -7.354 1.00 32.55 H new ATOM 360 N TYR A 44 -16.866 11.754 -4.288 1.00 53.33 N ATOM 361 CA TYR A 44 -16.963 11.970 -2.850 1.00 21.31 C ATOM 362 C TYR A 44 -16.098 13.149 -2.416 1.00 21.55 C ATOM 363 O TYR A 44 -16.034 13.483 -1.233 1.00 1.25 O ATOM 364 CB TYR A 44 -16.542 10.708 -2.095 1.00 62.50 C ATOM 365 CG TYR A 44 -17.669 10.061 -1.321 1.00 71.52 C ATOM 366 CD1 TYR A 44 -18.484 10.811 -0.484 1.00 74.53 C ATOM 367 CD2 TYR A 44 -17.918 8.698 -1.429 1.00 40.54 C ATOM 368 CE1 TYR A 44 -19.514 10.223 0.225 1.00 74.14 C ATOM 369 CE2 TYR A 44 -18.946 8.102 -0.726 1.00 14.14 C ATOM 370 CZ TYR A 44 -19.742 8.869 0.100 1.00 22.33 C ATOM 371 OH TYR A 44 -20.767 8.279 0.804 1.00 21.24 O ATOM 0 H TYR A 44 -16.153 11.080 -4.566 1.00 53.33 H new ATOM 0 HA TYR A 44 -18.002 12.199 -2.612 1.00 21.31 H new ATOM 0 HB2 TYR A 44 -16.140 9.986 -2.806 1.00 62.50 H new ATOM 0 HB3 TYR A 44 -15.736 10.959 -1.405 1.00 62.50 H new ATOM 0 HD1 TYR A 44 -18.310 11.872 -0.385 1.00 74.53 H new ATOM 0 HD2 TYR A 44 -17.297 8.095 -2.074 1.00 40.54 H new ATOM 0 HE1 TYR A 44 -20.137 10.821 0.874 1.00 74.14 H new ATOM 0 HE2 TYR A 44 -19.126 7.041 -0.822 1.00 14.14 H new ATOM 0 HH TYR A 44 -20.545 8.270 1.759 1.00 21.24 H new ATOM 381 N GLU A 45 -15.434 13.775 -3.383 1.00 23.43 N ATOM 382 CA GLU A 45 -14.572 14.916 -3.101 1.00 45.35 C ATOM 383 C GLU A 45 -15.314 15.970 -2.283 1.00 61.44 C ATOM 384 O GLU A 45 -14.773 16.521 -1.325 1.00 44.32 O ATOM 385 CB GLU A 45 -14.063 15.534 -4.405 1.00 32.34 C ATOM 386 CG GLU A 45 -13.334 16.852 -4.211 1.00 42.53 C ATOM 387 CD GLU A 45 -14.068 18.022 -4.837 1.00 53.30 C ATOM 388 OE1 GLU A 45 -14.996 18.556 -4.193 1.00 31.32 O ATOM 389 OE2 GLU A 45 -13.715 18.405 -5.973 1.00 53.20 O ATOM 0 H GLU A 45 -15.477 13.511 -4.367 1.00 23.43 H new ATOM 0 HA GLU A 45 -13.722 14.560 -2.519 1.00 45.35 H new ATOM 0 HB2 GLU A 45 -13.393 14.827 -4.895 1.00 32.34 H new ATOM 0 HB3 GLU A 45 -14.907 15.691 -5.076 1.00 32.34 H new ATOM 0 HG2 GLU A 45 -13.204 17.038 -3.145 1.00 42.53 H new ATOM 0 HG3 GLU A 45 -12.337 16.779 -4.645 1.00 42.53 H new ATOM 396 N SER A 46 -16.556 16.243 -2.668 1.00 74.45 N ATOM 397 CA SER A 46 -17.371 17.233 -1.974 1.00 53.41 C ATOM 398 C SER A 46 -17.373 16.978 -0.471 1.00 2.32 C ATOM 399 O SER A 46 -17.293 17.910 0.330 1.00 40.42 O ATOM 400 CB SER A 46 -18.805 17.209 -2.509 1.00 21.35 C ATOM 401 OG SER A 46 -19.038 16.050 -3.292 1.00 71.21 O ATOM 0 H SER A 46 -17.020 15.793 -3.457 1.00 74.45 H new ATOM 0 HA SER A 46 -16.938 18.217 -2.157 1.00 53.41 H new ATOM 0 HB2 SER A 46 -19.508 17.236 -1.676 1.00 21.35 H new ATOM 0 HB3 SER A 46 -18.987 18.100 -3.110 1.00 21.35 H new ATOM 0 HG SER A 46 -19.961 16.057 -3.621 1.00 71.21 H new ATOM 407 N LYS A 47 -17.463 15.708 -0.093 1.00 52.31 N ATOM 408 CA LYS A 47 -17.474 15.326 1.315 1.00 32.00 C ATOM 409 C LYS A 47 -16.120 15.599 1.963 1.00 25.31 C ATOM 410 O LYS A 47 -16.047 16.012 3.121 1.00 3.24 O ATOM 411 CB LYS A 47 -17.832 13.845 1.461 1.00 45.22 C ATOM 412 CG LYS A 47 -19.325 13.573 1.419 1.00 41.21 C ATOM 413 CD LYS A 47 -19.907 13.867 0.046 1.00 40.34 C ATOM 414 CE LYS A 47 -21.143 13.024 -0.226 1.00 24.10 C ATOM 415 NZ LYS A 47 -22.275 13.847 -0.736 1.00 44.25 N ATOM 0 H LYS A 47 -17.530 14.924 -0.742 1.00 52.31 H new ATOM 0 HA LYS A 47 -18.228 15.927 1.823 1.00 32.00 H new ATOM 0 HB2 LYS A 47 -17.346 13.282 0.664 1.00 45.22 H new ATOM 0 HB3 LYS A 47 -17.430 13.474 2.404 1.00 45.22 H new ATOM 0 HG2 LYS A 47 -19.513 12.532 1.680 1.00 41.21 H new ATOM 0 HG3 LYS A 47 -19.828 14.185 2.167 1.00 41.21 H new ATOM 0 HD2 LYS A 47 -20.164 14.924 -0.023 1.00 40.34 H new ATOM 0 HD3 LYS A 47 -19.156 13.671 -0.719 1.00 40.34 H new ATOM 0 HE2 LYS A 47 -20.901 12.249 -0.953 1.00 24.10 H new ATOM 0 HE3 LYS A 47 -21.446 12.518 0.690 1.00 24.10 H new ATOM 0 HZ1 LYS A 47 -23.098 13.236 -0.909 1.00 44.25 H new ATOM 0 HZ2 LYS A 47 -22.523 14.571 -0.031 1.00 44.25 H new ATOM 0 HZ3 LYS A 47 -21.995 14.310 -1.624 1.00 44.25 H new ATOM 429 N LEU A 48 -15.051 15.367 1.209 1.00 0.24 N ATOM 430 CA LEU A 48 -13.699 15.589 1.710 1.00 61.20 C ATOM 431 C LEU A 48 -13.327 17.067 1.632 1.00 42.21 C ATOM 432 O LEU A 48 -12.266 17.476 2.107 1.00 23.30 O ATOM 433 CB LEU A 48 -12.696 14.756 0.912 1.00 13.43 C ATOM 434 CG LEU A 48 -11.410 14.370 1.645 1.00 44.52 C ATOM 435 CD1 LEU A 48 -10.912 13.013 1.172 1.00 2.33 C ATOM 436 CD2 LEU A 48 -10.340 15.432 1.442 1.00 4.51 C ATOM 0 H LEU A 48 -15.094 15.025 0.249 1.00 0.24 H new ATOM 0 HA LEU A 48 -13.668 15.280 2.755 1.00 61.20 H new ATOM 0 HB2 LEU A 48 -13.192 13.842 0.585 1.00 13.43 H new ATOM 0 HB3 LEU A 48 -12.426 15.311 0.014 1.00 13.43 H new ATOM 0 HG LEU A 48 -11.629 14.303 2.711 1.00 44.52 H new ATOM 0 HD11 LEU A 48 -9.997 12.756 1.705 1.00 2.33 H new ATOM 0 HD12 LEU A 48 -11.672 12.257 1.370 1.00 2.33 H new ATOM 0 HD13 LEU A 48 -10.710 13.052 0.102 1.00 2.33 H new ATOM 0 HD21 LEU A 48 -9.433 15.140 1.971 1.00 4.51 H new ATOM 0 HD22 LEU A 48 -10.124 15.532 0.378 1.00 4.51 H new ATOM 0 HD23 LEU A 48 -10.696 16.386 1.831 1.00 4.51 H new ATOM 448 N LEU A 49 -14.205 17.863 1.033 1.00 1.22 N ATOM 449 CA LEU A 49 -13.969 19.296 0.895 1.00 22.31 C ATOM 450 C LEU A 49 -14.819 20.085 1.886 1.00 21.04 C ATOM 451 O LEU A 49 -14.348 21.045 2.497 1.00 33.35 O ATOM 452 CB LEU A 49 -14.279 19.748 -0.533 1.00 14.24 C ATOM 453 CG LEU A 49 -14.187 21.253 -0.795 1.00 14.42 C ATOM 454 CD1 LEU A 49 -12.803 21.772 -0.439 1.00 13.31 C ATOM 455 CD2 LEU A 49 -14.518 21.561 -2.248 1.00 64.13 C ATOM 0 H LEU A 49 -15.087 17.541 0.635 1.00 1.22 H new ATOM 0 HA LEU A 49 -12.918 19.489 1.111 1.00 22.31 H new ATOM 0 HB2 LEU A 49 -13.594 19.239 -1.211 1.00 14.24 H new ATOM 0 HB3 LEU A 49 -15.285 19.416 -0.788 1.00 14.24 H new ATOM 0 HG LEU A 49 -14.916 21.759 -0.162 1.00 14.42 H new ATOM 0 HD11 LEU A 49 -12.756 22.844 -0.632 1.00 13.31 H new ATOM 0 HD12 LEU A 49 -12.604 21.584 0.616 1.00 13.31 H new ATOM 0 HD13 LEU A 49 -12.056 21.261 -1.046 1.00 13.31 H new ATOM 0 HD21 LEU A 49 -14.448 22.635 -2.417 1.00 64.13 H new ATOM 0 HD22 LEU A 49 -13.813 21.044 -2.899 1.00 64.13 H new ATOM 0 HD23 LEU A 49 -15.531 21.224 -2.470 1.00 64.13 H new ATOM 467 N LEU A 50 -16.072 19.672 2.043 1.00 22.22 N ATOM 468 CA LEU A 50 -16.988 20.339 2.963 1.00 12.15 C ATOM 469 C LEU A 50 -16.577 20.096 4.412 1.00 64.21 C ATOM 470 O LEU A 50 -17.002 20.813 5.316 1.00 41.21 O ATOM 471 CB LEU A 50 -18.418 19.845 2.737 1.00 52.32 C ATOM 472 CG LEU A 50 -19.463 20.924 2.452 1.00 62.43 C ATOM 473 CD1 LEU A 50 -20.856 20.316 2.391 1.00 30.14 C ATOM 474 CD2 LEU A 50 -19.402 22.017 3.509 1.00 52.43 C ATOM 0 H LEU A 50 -16.477 18.879 1.546 1.00 22.22 H new ATOM 0 HA LEU A 50 -16.945 21.410 2.767 1.00 12.15 H new ATOM 0 HB2 LEU A 50 -18.411 19.144 1.902 1.00 52.32 H new ATOM 0 HB3 LEU A 50 -18.732 19.287 3.619 1.00 52.32 H new ATOM 0 HG LEU A 50 -19.241 21.370 1.483 1.00 62.43 H new ATOM 0 HD11 LEU A 50 -21.586 21.099 2.187 1.00 30.14 H new ATOM 0 HD12 LEU A 50 -20.893 19.570 1.597 1.00 30.14 H new ATOM 0 HD13 LEU A 50 -21.088 19.842 3.345 1.00 30.14 H new ATOM 0 HD21 LEU A 50 -20.153 22.777 3.291 1.00 52.43 H new ATOM 0 HD22 LEU A 50 -19.598 21.585 4.491 1.00 52.43 H new ATOM 0 HD23 LEU A 50 -18.412 22.473 3.504 1.00 52.43 H new ATOM 486 N ASN A 51 -15.745 19.081 4.623 1.00 73.41 N ATOM 487 CA ASN A 51 -15.274 18.745 5.962 1.00 22.20 C ATOM 488 C ASN A 51 -13.927 19.401 6.247 1.00 10.20 C ATOM 489 O ASN A 51 -13.186 18.966 7.126 1.00 2.33 O ATOM 490 CB ASN A 51 -15.158 17.228 6.119 1.00 60.44 C ATOM 491 CG ASN A 51 -16.441 16.599 6.630 1.00 52.20 C ATOM 492 OD1 ASN A 51 -16.546 16.246 7.805 1.00 50.43 O ATOM 493 ND2 ASN A 51 -17.423 16.457 5.747 1.00 53.10 N ATOM 0 H ASN A 51 -15.383 18.477 3.885 1.00 73.41 H new ATOM 0 HA ASN A 51 -16.001 19.124 6.680 1.00 22.20 H new ATOM 0 HB2 ASN A 51 -14.897 16.785 5.158 1.00 60.44 H new ATOM 0 HB3 ASN A 51 -14.345 16.998 6.807 1.00 60.44 H new ATOM 0 HD21 ASN A 51 -18.309 16.041 6.033 1.00 53.10 H new ATOM 0 HD22 ASN A 51 -17.291 16.764 4.783 1.00 53.10 H new ATOM 500 N GLY A 52 -13.617 20.454 5.495 1.00 21.34 N ATOM 501 CA GLY A 52 -12.360 21.154 5.681 1.00 23.12 C ATOM 502 C GLY A 52 -11.169 20.215 5.689 1.00 64.40 C ATOM 503 O GLY A 52 -10.169 20.475 6.358 1.00 20.35 O ATOM 0 H GLY A 52 -14.214 20.834 4.761 1.00 21.34 H new ATOM 0 HA2 GLY A 52 -12.235 21.888 4.885 1.00 23.12 H new ATOM 0 HA3 GLY A 52 -12.390 21.705 6.621 1.00 23.12 H new ATOM 507 N PHE A 53 -11.276 19.121 4.943 1.00 4.22 N ATOM 508 CA PHE A 53 -10.201 18.138 4.869 1.00 32.51 C ATOM 509 C PHE A 53 -9.512 18.188 3.509 1.00 13.43 C ATOM 510 O PHE A 53 -8.691 17.330 3.185 1.00 72.43 O ATOM 511 CB PHE A 53 -10.748 16.732 5.125 1.00 31.13 C ATOM 512 CG PHE A 53 -9.946 15.951 6.126 1.00 64.31 C ATOM 513 CD1 PHE A 53 -8.578 15.799 5.971 1.00 41.10 C ATOM 514 CD2 PHE A 53 -10.562 15.367 7.223 1.00 44.33 C ATOM 515 CE1 PHE A 53 -7.837 15.080 6.892 1.00 24.22 C ATOM 516 CE2 PHE A 53 -9.826 14.648 8.146 1.00 63.41 C ATOM 517 CZ PHE A 53 -8.462 14.503 7.979 1.00 3.33 C ATOM 0 H PHE A 53 -12.096 18.892 4.381 1.00 4.22 H new ATOM 0 HA PHE A 53 -9.467 18.380 5.638 1.00 32.51 H new ATOM 0 HB2 PHE A 53 -11.777 16.809 5.476 1.00 31.13 H new ATOM 0 HB3 PHE A 53 -10.773 16.183 4.184 1.00 31.13 H new ATOM 0 HD1 PHE A 53 -8.084 16.247 5.121 1.00 41.10 H new ATOM 0 HD2 PHE A 53 -11.628 15.475 7.357 1.00 44.33 H new ATOM 0 HE1 PHE A 53 -6.771 14.970 6.761 1.00 24.22 H new ATOM 0 HE2 PHE A 53 -10.317 14.200 8.997 1.00 63.41 H new ATOM 0 HZ PHE A 53 -7.886 13.939 8.698 1.00 3.33 H new ATOM 527 N ASP A 54 -9.853 19.198 2.717 1.00 43.25 N ATOM 528 CA ASP A 54 -9.268 19.362 1.391 1.00 25.30 C ATOM 529 C ASP A 54 -7.753 19.513 1.481 1.00 32.24 C ATOM 530 O ASP A 54 -7.039 19.299 0.500 1.00 35.14 O ATOM 531 CB ASP A 54 -9.874 20.579 0.689 1.00 54.31 C ATOM 532 CG ASP A 54 -9.154 21.867 1.040 1.00 72.24 C ATOM 533 OD1 ASP A 54 -9.422 22.418 2.127 1.00 75.13 O ATOM 534 OD2 ASP A 54 -8.323 22.323 0.227 1.00 65.04 O ATOM 0 H ASP A 54 -10.532 19.916 2.970 1.00 43.25 H new ATOM 0 HA ASP A 54 -9.492 18.468 0.809 1.00 25.30 H new ATOM 0 HB2 ASP A 54 -9.838 20.428 -0.390 1.00 54.31 H new ATOM 0 HB3 ASP A 54 -10.925 20.667 0.963 1.00 54.31 H new ATOM 539 N ASP A 55 -7.269 19.881 2.661 1.00 74.21 N ATOM 540 CA ASP A 55 -5.839 20.061 2.880 1.00 64.43 C ATOM 541 C ASP A 55 -5.077 18.775 2.573 1.00 73.45 C ATOM 542 O ASP A 55 -5.002 17.871 3.406 1.00 55.34 O ATOM 543 CB ASP A 55 -5.571 20.495 4.321 1.00 14.55 C ATOM 544 CG ASP A 55 -5.758 21.986 4.521 1.00 65.11 C ATOM 545 OD1 ASP A 55 -6.511 22.600 3.736 1.00 74.22 O ATOM 546 OD2 ASP A 55 -5.153 22.539 5.463 1.00 43.45 O ATOM 0 H ASP A 55 -7.847 20.061 3.482 1.00 74.21 H new ATOM 0 HA ASP A 55 -5.489 20.841 2.204 1.00 64.43 H new ATOM 0 HB2 ASP A 55 -6.240 19.955 4.990 1.00 14.55 H new ATOM 0 HB3 ASP A 55 -4.553 20.219 4.597 1.00 14.55 H new ATOM 551 N VAL A 56 -4.514 18.699 1.372 1.00 2.04 N ATOM 552 CA VAL A 56 -3.758 17.523 0.954 1.00 33.13 C ATOM 553 C VAL A 56 -2.591 17.259 1.898 1.00 42.44 C ATOM 554 O VAL A 56 -2.078 16.141 1.971 1.00 53.32 O ATOM 555 CB VAL A 56 -3.220 17.682 -0.479 1.00 31.43 C ATOM 556 CG1 VAL A 56 -2.402 16.464 -0.881 1.00 14.15 C ATOM 557 CG2 VAL A 56 -4.364 17.910 -1.455 1.00 54.40 C ATOM 0 H VAL A 56 -4.567 19.438 0.670 1.00 2.04 H new ATOM 0 HA VAL A 56 -4.445 16.677 0.983 1.00 33.13 H new ATOM 0 HB VAL A 56 -2.567 18.555 -0.508 1.00 31.43 H new ATOM 0 HG11 VAL A 56 -2.030 16.595 -1.897 1.00 14.15 H new ATOM 0 HG12 VAL A 56 -1.560 16.350 -0.198 1.00 14.15 H new ATOM 0 HG13 VAL A 56 -3.029 15.574 -0.836 1.00 14.15 H new ATOM 0 HG21 VAL A 56 -3.965 18.020 -2.463 1.00 54.40 H new ATOM 0 HG22 VAL A 56 -5.043 17.058 -1.425 1.00 54.40 H new ATOM 0 HG23 VAL A 56 -4.904 18.815 -1.177 1.00 54.40 H new ATOM 567 N HIS A 57 -2.173 18.293 2.620 1.00 51.41 N ATOM 568 CA HIS A 57 -1.065 18.172 3.560 1.00 40.15 C ATOM 569 C HIS A 57 -1.577 17.881 4.968 1.00 32.12 C ATOM 570 O HIS A 57 -0.910 18.187 5.957 1.00 2.24 O ATOM 571 CB HIS A 57 -0.228 19.452 3.563 1.00 5.31 C ATOM 572 CG HIS A 57 0.830 19.479 2.504 1.00 63.24 C ATOM 573 ND1 HIS A 57 0.920 20.475 1.556 1.00 24.20 N ATOM 574 CD2 HIS A 57 1.848 18.623 2.249 1.00 24.11 C ATOM 575 CE1 HIS A 57 1.947 20.231 0.761 1.00 23.40 C ATOM 576 NE2 HIS A 57 2.527 19.113 1.161 1.00 2.32 N ATOM 0 H HIS A 57 -2.585 19.225 2.572 1.00 51.41 H new ATOM 0 HA HIS A 57 -0.439 17.339 3.240 1.00 40.15 H new ATOM 0 HB2 HIS A 57 -0.888 20.308 3.427 1.00 5.31 H new ATOM 0 HB3 HIS A 57 0.244 19.565 4.539 1.00 5.31 H new ATOM 0 HD2 HIS A 57 2.082 17.723 2.799 1.00 24.11 H new ATOM 0 HE1 HIS A 57 2.259 20.841 -0.074 1.00 23.40 H new ATOM 0 HE2 HIS A 57 3.346 18.684 0.731 1.00 2.32 H new ATOM 584 N PHE A 58 -2.764 17.290 5.050 1.00 2.54 N ATOM 585 CA PHE A 58 -3.365 16.961 6.337 1.00 32.34 C ATOM 586 C PHE A 58 -3.652 15.465 6.436 1.00 21.42 C ATOM 587 O PHE A 58 -3.370 14.833 7.454 1.00 1.22 O ATOM 588 CB PHE A 58 -4.659 17.753 6.538 1.00 44.13 C ATOM 589 CG PHE A 58 -4.712 18.494 7.844 1.00 63.33 C ATOM 590 CD1 PHE A 58 -3.886 19.582 8.072 1.00 41.43 C ATOM 591 CD2 PHE A 58 -5.588 18.101 8.842 1.00 34.41 C ATOM 592 CE1 PHE A 58 -3.931 20.264 9.274 1.00 24.23 C ATOM 593 CE2 PHE A 58 -5.639 18.780 10.046 1.00 33.51 C ATOM 594 CZ PHE A 58 -4.810 19.863 10.261 1.00 25.44 C ATOM 0 H PHE A 58 -3.328 17.029 4.241 1.00 2.54 H new ATOM 0 HA PHE A 58 -2.656 17.231 7.120 1.00 32.34 H new ATOM 0 HB2 PHE A 58 -4.770 18.465 5.721 1.00 44.13 H new ATOM 0 HB3 PHE A 58 -5.506 17.069 6.483 1.00 44.13 H new ATOM 0 HD1 PHE A 58 -3.199 19.901 7.302 1.00 41.43 H new ATOM 0 HD2 PHE A 58 -6.239 17.255 8.678 1.00 34.41 H new ATOM 0 HE1 PHE A 58 -3.280 21.109 9.441 1.00 24.23 H new ATOM 0 HE2 PHE A 58 -6.326 18.464 10.817 1.00 33.51 H new ATOM 0 HZ PHE A 58 -4.849 20.396 11.200 1.00 25.44 H new ATOM 604 N LEU A 59 -4.217 14.906 5.371 1.00 73.52 N ATOM 605 CA LEU A 59 -4.544 13.484 5.336 1.00 21.03 C ATOM 606 C LEU A 59 -3.349 12.641 5.769 1.00 4.40 C ATOM 607 O LEU A 59 -3.510 11.576 6.365 1.00 70.34 O ATOM 608 CB LEU A 59 -4.987 13.077 3.930 1.00 12.42 C ATOM 609 CG LEU A 59 -4.234 13.733 2.772 1.00 71.50 C ATOM 610 CD1 LEU A 59 -3.392 12.705 2.032 1.00 21.32 C ATOM 611 CD2 LEU A 59 -5.208 14.413 1.820 1.00 33.44 C ATOM 0 H LEU A 59 -4.458 15.415 4.521 1.00 73.52 H new ATOM 0 HA LEU A 59 -5.363 13.307 6.033 1.00 21.03 H new ATOM 0 HB2 LEU A 59 -4.885 11.996 3.837 1.00 12.42 H new ATOM 0 HB3 LEU A 59 -6.047 13.307 3.824 1.00 12.42 H new ATOM 0 HG LEU A 59 -3.567 14.492 3.181 1.00 71.50 H new ATOM 0 HD11 LEU A 59 -2.864 13.190 1.211 1.00 21.32 H new ATOM 0 HD12 LEU A 59 -2.669 12.264 2.719 1.00 21.32 H new ATOM 0 HD13 LEU A 59 -4.039 11.923 1.635 1.00 21.32 H new ATOM 0 HD21 LEU A 59 -4.655 14.875 1.002 1.00 33.44 H new ATOM 0 HD22 LEU A 59 -5.900 13.673 1.418 1.00 33.44 H new ATOM 0 HD23 LEU A 59 -5.767 15.179 2.357 1.00 33.44 H new ATOM 623 N GLY A 60 -2.148 13.124 5.465 1.00 54.22 N ATOM 624 CA GLY A 60 -0.943 12.403 5.832 1.00 72.21 C ATOM 625 C GLY A 60 -0.395 12.835 7.177 1.00 1.35 C ATOM 626 O GLY A 60 0.819 12.884 7.375 1.00 11.54 O ATOM 0 H GLY A 60 -1.988 14.002 4.971 1.00 54.22 H new ATOM 0 HA2 GLY A 60 -1.156 11.334 5.856 1.00 72.21 H new ATOM 0 HA3 GLY A 60 -0.183 12.559 5.067 1.00 72.21 H new ATOM 630 N SER A 61 -1.292 13.152 8.106 1.00 4.14 N ATOM 631 CA SER A 61 -0.892 13.587 9.438 1.00 1.23 C ATOM 632 C SER A 61 -1.992 13.304 10.457 1.00 33.14 C ATOM 633 O SER A 61 -1.722 12.860 11.572 1.00 43.52 O ATOM 634 CB SER A 61 -0.561 15.081 9.431 1.00 13.14 C ATOM 635 OG SER A 61 0.501 15.373 10.323 1.00 63.22 O ATOM 0 H SER A 61 -2.301 13.115 7.960 1.00 4.14 H new ATOM 0 HA SER A 61 -0.003 13.025 9.724 1.00 1.23 H new ATOM 0 HB2 SER A 61 -0.288 15.391 8.422 1.00 13.14 H new ATOM 0 HB3 SER A 61 -1.445 15.654 9.713 1.00 13.14 H new ATOM 0 HG SER A 61 0.694 16.333 10.298 1.00 63.22 H new ATOM 641 N ASN A 62 -3.235 13.564 10.063 1.00 31.22 N ATOM 642 CA ASN A 62 -4.377 13.337 10.941 1.00 31.45 C ATOM 643 C ASN A 62 -4.689 11.848 11.055 1.00 73.55 C ATOM 644 O ASN A 62 -3.985 11.010 10.489 1.00 54.32 O ATOM 645 CB ASN A 62 -5.604 14.088 10.419 1.00 13.43 C ATOM 646 CG ASN A 62 -6.092 15.145 11.391 1.00 23.14 C ATOM 647 OD1 ASN A 62 -5.307 15.714 12.151 1.00 61.15 O ATOM 648 ND2 ASN A 62 -7.392 15.412 11.372 1.00 20.24 N ATOM 0 H ASN A 62 -3.476 13.932 9.143 1.00 31.22 H new ATOM 0 HA ASN A 62 -4.122 13.713 11.932 1.00 31.45 H new ATOM 0 HB2 ASN A 62 -5.360 14.559 9.467 1.00 13.43 H new ATOM 0 HB3 ASN A 62 -6.407 13.377 10.227 1.00 13.43 H new ATOM 0 HD21 ASN A 62 -7.778 16.113 12.004 1.00 20.24 H new ATOM 0 HD22 ASN A 62 -8.005 14.916 10.725 1.00 20.24 H new ATOM 655 N VAL A 63 -5.748 11.525 11.790 1.00 25.41 N ATOM 656 CA VAL A 63 -6.155 10.138 11.976 1.00 4.52 C ATOM 657 C VAL A 63 -6.275 9.415 10.639 1.00 61.11 C ATOM 658 O VAL A 63 -5.795 8.293 10.485 1.00 32.03 O ATOM 659 CB VAL A 63 -7.500 10.042 12.722 1.00 61.31 C ATOM 660 CG1 VAL A 63 -8.549 10.907 12.042 1.00 74.22 C ATOM 661 CG2 VAL A 63 -7.961 8.596 12.804 1.00 12.02 C ATOM 0 H VAL A 63 -6.340 12.206 12.266 1.00 25.41 H new ATOM 0 HA VAL A 63 -5.381 9.660 12.576 1.00 4.52 H new ATOM 0 HB VAL A 63 -7.360 10.412 13.738 1.00 61.31 H new ATOM 0 HG11 VAL A 63 -9.492 10.827 12.582 1.00 74.22 H new ATOM 0 HG12 VAL A 63 -8.219 11.946 12.040 1.00 74.22 H new ATOM 0 HG13 VAL A 63 -8.689 10.569 11.015 1.00 74.22 H new ATOM 0 HG21 VAL A 63 -8.912 8.547 13.334 1.00 12.02 H new ATOM 0 HG22 VAL A 63 -8.085 8.196 11.798 1.00 12.02 H new ATOM 0 HG23 VAL A 63 -7.217 8.007 13.339 1.00 12.02 H new ATOM 671 N MET A 64 -6.918 10.068 9.677 1.00 61.20 N ATOM 672 CA MET A 64 -7.100 9.487 8.351 1.00 3.10 C ATOM 673 C MET A 64 -7.533 8.027 8.451 1.00 70.24 C ATOM 674 O MET A 64 -7.009 7.167 7.744 1.00 33.41 O ATOM 675 CB MET A 64 -5.806 9.594 7.543 1.00 12.44 C ATOM 676 CG MET A 64 -6.010 10.133 6.136 1.00 21.14 C ATOM 677 SD MET A 64 -7.246 9.202 5.209 1.00 63.40 S ATOM 678 CE MET A 64 -8.271 10.532 4.583 1.00 12.42 C ATOM 0 H MET A 64 -7.321 10.998 9.790 1.00 61.20 H new ATOM 0 HA MET A 64 -7.885 10.045 7.841 1.00 3.10 H new ATOM 0 HB2 MET A 64 -5.109 10.242 8.074 1.00 12.44 H new ATOM 0 HB3 MET A 64 -5.343 8.609 7.482 1.00 12.44 H new ATOM 0 HG2 MET A 64 -6.314 11.178 6.192 1.00 21.14 H new ATOM 0 HG3 MET A 64 -5.062 10.105 5.599 1.00 21.14 H new ATOM 0 HE1 MET A 64 -8.819 10.187 3.706 1.00 12.42 H new ATOM 0 HE2 MET A 64 -8.977 10.841 5.354 1.00 12.42 H new ATOM 0 HE3 MET A 64 -7.641 11.378 4.308 1.00 12.42 H new ATOM 688 N GLU A 65 -8.490 7.758 9.333 1.00 11.45 N ATOM 689 CA GLU A 65 -8.990 6.402 9.524 1.00 22.43 C ATOM 690 C GLU A 65 -10.404 6.260 8.969 1.00 24.51 C ATOM 691 O GLU A 65 -11.039 7.248 8.602 1.00 55.23 O ATOM 692 CB GLU A 65 -8.976 6.034 11.009 1.00 74.14 C ATOM 693 CG GLU A 65 -8.979 4.536 11.266 1.00 45.31 C ATOM 694 CD GLU A 65 -8.155 4.150 12.479 1.00 75.44 C ATOM 695 OE1 GLU A 65 -6.958 4.502 12.520 1.00 62.30 O ATOM 696 OE2 GLU A 65 -8.708 3.495 13.386 1.00 64.44 O ATOM 0 H GLU A 65 -8.934 8.460 9.926 1.00 11.45 H new ATOM 0 HA GLU A 65 -8.334 5.721 8.981 1.00 22.43 H new ATOM 0 HB2 GLU A 65 -8.093 6.472 11.475 1.00 74.14 H new ATOM 0 HB3 GLU A 65 -9.846 6.479 11.493 1.00 74.14 H new ATOM 0 HG2 GLU A 65 -10.006 4.197 11.406 1.00 45.31 H new ATOM 0 HG3 GLU A 65 -8.590 4.020 10.388 1.00 45.31 H new ATOM 703 N GLU A 66 -10.890 5.024 8.909 1.00 13.11 N ATOM 704 CA GLU A 66 -12.228 4.753 8.396 1.00 23.52 C ATOM 705 C GLU A 66 -13.245 5.721 8.992 1.00 74.04 C ATOM 706 O GLU A 66 -14.088 6.267 8.280 1.00 23.44 O ATOM 707 CB GLU A 66 -12.635 3.312 8.708 1.00 2.44 C ATOM 708 CG GLU A 66 -12.374 2.903 10.147 1.00 3.43 C ATOM 709 CD GLU A 66 -12.713 1.448 10.412 1.00 41.24 C ATOM 710 OE1 GLU A 66 -13.886 1.161 10.730 1.00 4.50 O ATOM 711 OE2 GLU A 66 -11.805 0.599 10.302 1.00 43.30 O ATOM 0 H GLU A 66 -10.377 4.195 9.209 1.00 13.11 H new ATOM 0 HA GLU A 66 -12.210 4.892 7.315 1.00 23.52 H new ATOM 0 HB2 GLU A 66 -13.696 3.188 8.491 1.00 2.44 H new ATOM 0 HB3 GLU A 66 -12.093 2.639 8.044 1.00 2.44 H new ATOM 0 HG2 GLU A 66 -11.325 3.077 10.385 1.00 3.43 H new ATOM 0 HG3 GLU A 66 -12.961 3.536 10.813 1.00 3.43 H new ATOM 718 N GLN A 67 -13.160 5.928 10.303 1.00 72.24 N ATOM 719 CA GLN A 67 -14.074 6.828 10.995 1.00 45.32 C ATOM 720 C GLN A 67 -14.042 8.220 10.372 1.00 64.44 C ATOM 721 O GLN A 67 -15.082 8.852 10.188 1.00 22.22 O ATOM 722 CB GLN A 67 -13.714 6.911 12.479 1.00 34.34 C ATOM 723 CG GLN A 67 -14.846 7.430 13.351 1.00 20.25 C ATOM 724 CD GLN A 67 -15.320 6.406 14.363 1.00 13.13 C ATOM 725 OE1 GLN A 67 -15.297 6.651 15.570 1.00 43.45 O ATOM 726 NE2 GLN A 67 -15.752 5.248 13.877 1.00 40.24 N ATOM 0 H GLN A 67 -12.467 5.484 10.906 1.00 72.24 H new ATOM 0 HA GLN A 67 -15.083 6.429 10.895 1.00 45.32 H new ATOM 0 HB2 GLN A 67 -13.421 5.921 12.829 1.00 34.34 H new ATOM 0 HB3 GLN A 67 -12.847 7.561 12.598 1.00 34.34 H new ATOM 0 HG2 GLN A 67 -14.514 8.326 13.875 1.00 20.25 H new ATOM 0 HG3 GLN A 67 -15.683 7.723 12.717 1.00 20.25 H new ATOM 0 HE21 GLN A 67 -15.754 5.087 12.870 1.00 40.24 H new ATOM 0 HE22 GLN A 67 -16.082 4.520 14.511 1.00 40.24 H new ATOM 735 N ASP A 68 -12.842 8.691 10.051 1.00 4.04 N ATOM 736 CA ASP A 68 -12.674 10.008 9.447 1.00 33.33 C ATOM 737 C ASP A 68 -13.381 10.083 8.098 1.00 4.50 C ATOM 738 O ASP A 68 -14.017 11.086 7.772 1.00 73.34 O ATOM 739 CB ASP A 68 -11.188 10.330 9.278 1.00 2.30 C ATOM 740 CG ASP A 68 -10.872 11.781 9.582 1.00 73.53 C ATOM 741 OD1 ASP A 68 -11.822 12.579 9.722 1.00 64.33 O ATOM 742 OD2 ASP A 68 -9.673 12.119 9.677 1.00 32.30 O ATOM 0 H ASP A 68 -11.971 8.181 10.199 1.00 4.04 H new ATOM 0 HA ASP A 68 -13.124 10.745 10.113 1.00 33.33 H new ATOM 0 HB2 ASP A 68 -10.603 9.688 9.937 1.00 2.30 H new ATOM 0 HB3 ASP A 68 -10.883 10.101 8.257 1.00 2.30 H new ATOM 747 N LEU A 69 -13.264 9.015 7.316 1.00 54.14 N ATOM 748 CA LEU A 69 -13.891 8.958 5.999 1.00 21.05 C ATOM 749 C LEU A 69 -15.395 8.738 6.122 1.00 72.33 C ATOM 750 O LEU A 69 -16.160 9.105 5.230 1.00 32.02 O ATOM 751 CB LEU A 69 -13.264 7.841 5.163 1.00 63.04 C ATOM 752 CG LEU A 69 -11.780 7.571 5.406 1.00 52.11 C ATOM 753 CD1 LEU A 69 -11.250 6.557 4.404 1.00 43.12 C ATOM 754 CD2 LEU A 69 -10.983 8.865 5.331 1.00 20.54 C ATOM 0 H LEU A 69 -12.741 8.177 7.571 1.00 54.14 H new ATOM 0 HA LEU A 69 -13.723 9.913 5.500 1.00 21.05 H new ATOM 0 HB2 LEU A 69 -13.816 6.920 5.352 1.00 63.04 H new ATOM 0 HB3 LEU A 69 -13.400 8.084 4.109 1.00 63.04 H new ATOM 0 HG LEU A 69 -11.666 7.155 6.407 1.00 52.11 H new ATOM 0 HD11 LEU A 69 -10.192 6.378 4.593 1.00 43.12 H new ATOM 0 HD12 LEU A 69 -11.800 5.622 4.507 1.00 43.12 H new ATOM 0 HD13 LEU A 69 -11.378 6.944 3.393 1.00 43.12 H new ATOM 0 HD21 LEU A 69 -9.928 8.653 5.507 1.00 20.54 H new ATOM 0 HD22 LEU A 69 -11.104 9.310 4.344 1.00 20.54 H new ATOM 0 HD23 LEU A 69 -11.345 9.560 6.089 1.00 20.54 H new ATOM 766 N ARG A 70 -15.811 8.136 7.231 1.00 23.24 N ATOM 767 CA ARG A 70 -17.223 7.867 7.471 1.00 72.12 C ATOM 768 C ARG A 70 -17.949 9.132 7.920 1.00 55.23 C ATOM 769 O ARG A 70 -19.088 9.380 7.522 1.00 53.31 O ATOM 770 CB ARG A 70 -17.384 6.771 8.526 1.00 3.23 C ATOM 771 CG ARG A 70 -18.812 6.270 8.672 1.00 42.20 C ATOM 772 CD ARG A 70 -18.865 4.753 8.748 1.00 62.45 C ATOM 773 NE ARG A 70 -20.043 4.213 8.074 1.00 4.14 N ATOM 774 CZ ARG A 70 -20.373 2.926 8.091 1.00 70.41 C ATOM 775 NH1 ARG A 70 -19.618 2.052 8.743 1.00 24.21 N ATOM 776 NH2 ARG A 70 -21.461 2.510 7.453 1.00 34.32 N ATOM 0 H ARG A 70 -15.190 7.825 7.978 1.00 23.24 H new ATOM 0 HA ARG A 70 -17.666 7.528 6.535 1.00 72.12 H new ATOM 0 HB2 ARG A 70 -16.738 5.932 8.267 1.00 3.23 H new ATOM 0 HB3 ARG A 70 -17.041 7.152 9.488 1.00 3.23 H new ATOM 0 HG2 ARG A 70 -19.258 6.696 9.571 1.00 42.20 H new ATOM 0 HG3 ARG A 70 -19.408 6.614 7.826 1.00 42.20 H new ATOM 0 HD2 ARG A 70 -17.965 4.336 8.296 1.00 62.45 H new ATOM 0 HD3 ARG A 70 -18.870 4.442 9.793 1.00 62.45 H new ATOM 0 HE ARG A 70 -20.645 4.859 7.563 1.00 4.14 H new ATOM 0 HH11 ARG A 70 -18.781 2.367 9.234 1.00 24.21 H new ATOM 0 HH12 ARG A 70 -19.874 1.065 8.754 1.00 24.21 H new ATOM 0 HH21 ARG A 70 -22.044 3.179 6.949 1.00 34.32 H new ATOM 0 HH22 ARG A 70 -21.714 1.522 7.466 1.00 34.32 H new ATOM 790 N ASP A 71 -17.284 9.925 8.751 1.00 53.33 N ATOM 791 CA ASP A 71 -17.865 11.164 9.255 1.00 60.01 C ATOM 792 C ASP A 71 -18.088 12.160 8.121 1.00 72.41 C ATOM 793 O ASP A 71 -19.049 12.931 8.138 1.00 71.35 O ATOM 794 CB ASP A 71 -16.959 11.782 10.322 1.00 14.22 C ATOM 795 CG ASP A 71 -17.685 12.799 11.180 1.00 62.44 C ATOM 796 OD1 ASP A 71 -18.858 12.552 11.530 1.00 31.13 O ATOM 797 OD2 ASP A 71 -17.079 13.842 11.502 1.00 72.31 O ATOM 0 H ASP A 71 -16.342 9.733 9.091 1.00 53.33 H new ATOM 0 HA ASP A 71 -18.830 10.927 9.703 1.00 60.01 H new ATOM 0 HB2 ASP A 71 -16.561 10.992 10.959 1.00 14.22 H new ATOM 0 HB3 ASP A 71 -16.107 12.261 9.838 1.00 14.22 H new ATOM 802 N ILE A 72 -17.194 12.138 7.138 1.00 1.12 N ATOM 803 CA ILE A 72 -17.295 13.039 5.997 1.00 75.31 C ATOM 804 C ILE A 72 -18.353 12.561 5.009 1.00 44.42 C ATOM 805 O ILE A 72 -18.940 13.358 4.278 1.00 12.52 O ATOM 806 CB ILE A 72 -15.946 13.170 5.263 1.00 24.03 C ATOM 807 CG1 ILE A 72 -15.486 11.804 4.750 1.00 55.23 C ATOM 808 CG2 ILE A 72 -14.899 13.777 6.184 1.00 63.04 C ATOM 809 CD1 ILE A 72 -14.265 11.874 3.860 1.00 0.34 C ATOM 0 H ILE A 72 -16.393 11.507 7.109 1.00 1.12 H new ATOM 0 HA ILE A 72 -17.583 14.014 6.390 1.00 75.31 H new ATOM 0 HB ILE A 72 -16.076 13.833 4.408 1.00 24.03 H new ATOM 0 HG12 ILE A 72 -15.269 11.159 5.602 1.00 55.23 H new ATOM 0 HG13 ILE A 72 -16.302 11.338 4.198 1.00 55.23 H new ATOM 0 HG21 ILE A 72 -13.952 13.863 5.651 1.00 63.04 H new ATOM 0 HG22 ILE A 72 -15.226 14.766 6.505 1.00 63.04 H new ATOM 0 HG23 ILE A 72 -14.768 13.138 7.057 1.00 63.04 H new ATOM 0 HD11 ILE A 72 -13.995 10.870 3.533 1.00 0.34 H new ATOM 0 HD12 ILE A 72 -14.484 12.492 2.990 1.00 0.34 H new ATOM 0 HD13 ILE A 72 -13.435 12.310 4.415 1.00 0.34 H new ATOM 821 N GLY A 73 -18.594 11.253 4.995 1.00 1.12 N ATOM 822 CA GLY A 73 -19.584 10.691 4.095 1.00 1.33 C ATOM 823 C GLY A 73 -19.180 9.327 3.569 1.00 11.10 C ATOM 824 O GLY A 73 -20.014 8.429 3.451 1.00 73.00 O ATOM 0 H GLY A 73 -18.121 10.573 5.591 1.00 1.12 H new ATOM 0 HA2 GLY A 73 -20.538 10.609 4.615 1.00 1.33 H new ATOM 0 HA3 GLY A 73 -19.736 11.370 3.256 1.00 1.33 H new ATOM 828 N ILE A 74 -17.900 9.173 3.252 1.00 51.04 N ATOM 829 CA ILE A 74 -17.389 7.909 2.735 1.00 31.22 C ATOM 830 C ILE A 74 -17.594 6.781 3.740 1.00 75.21 C ATOM 831 O ILE A 74 -16.790 6.596 4.653 1.00 30.33 O ATOM 832 CB ILE A 74 -15.891 8.007 2.389 1.00 44.54 C ATOM 833 CG1 ILE A 74 -15.640 9.182 1.442 1.00 61.11 C ATOM 834 CG2 ILE A 74 -15.405 6.706 1.767 1.00 22.03 C ATOM 835 CD1 ILE A 74 -14.172 9.449 1.186 1.00 70.13 C ATOM 0 H ILE A 74 -17.197 9.907 3.344 1.00 51.04 H new ATOM 0 HA ILE A 74 -17.950 7.690 1.827 1.00 31.22 H new ATOM 0 HB ILE A 74 -15.331 8.179 3.308 1.00 44.54 H new ATOM 0 HG12 ILE A 74 -16.136 8.985 0.492 1.00 61.11 H new ATOM 0 HG13 ILE A 74 -16.097 10.079 1.860 1.00 61.11 H new ATOM 0 HG21 ILE A 74 -14.345 6.791 1.528 1.00 22.03 H new ATOM 0 HG22 ILE A 74 -15.554 5.888 2.472 1.00 22.03 H new ATOM 0 HG23 ILE A 74 -15.968 6.506 0.855 1.00 22.03 H new ATOM 0 HD11 ILE A 74 -14.069 10.295 0.506 1.00 70.13 H new ATOM 0 HD12 ILE A 74 -13.674 9.678 2.128 1.00 70.13 H new ATOM 0 HD13 ILE A 74 -13.714 8.567 0.739 1.00 70.13 H new ATOM 847 N SER A 75 -18.676 6.029 3.564 1.00 25.45 N ATOM 848 CA SER A 75 -18.988 4.918 4.456 1.00 13.40 C ATOM 849 C SER A 75 -18.893 3.586 3.721 1.00 74.40 C ATOM 850 O SER A 75 -19.241 2.538 4.264 1.00 20.24 O ATOM 851 CB SER A 75 -20.390 5.090 5.045 1.00 21.25 C ATOM 852 OG SER A 75 -21.327 5.437 4.040 1.00 33.10 O ATOM 0 H SER A 75 -19.351 6.169 2.812 1.00 25.45 H new ATOM 0 HA SER A 75 -18.258 4.918 5.265 1.00 13.40 H new ATOM 0 HB2 SER A 75 -20.699 4.165 5.531 1.00 21.25 H new ATOM 0 HB3 SER A 75 -20.373 5.863 5.813 1.00 21.25 H new ATOM 0 HG SER A 75 -22.215 5.540 4.442 1.00 33.10 H new ATOM 858 N ASP A 76 -18.420 3.635 2.481 1.00 53.52 N ATOM 859 CA ASP A 76 -18.276 2.432 1.668 1.00 32.34 C ATOM 860 C ASP A 76 -16.924 1.769 1.913 1.00 34.05 C ATOM 861 O ASP A 76 -15.932 2.425 2.229 1.00 20.20 O ATOM 862 CB ASP A 76 -18.431 2.771 0.185 1.00 33.23 C ATOM 863 CG ASP A 76 -19.792 2.384 -0.358 1.00 62.33 C ATOM 864 OD1 ASP A 76 -20.790 2.547 0.374 1.00 35.40 O ATOM 865 OD2 ASP A 76 -19.859 1.918 -1.515 1.00 10.22 O ATOM 0 H ASP A 76 -18.129 4.495 2.016 1.00 53.52 H new ATOM 0 HA ASP A 76 -19.061 1.733 1.956 1.00 32.34 H new ATOM 0 HB2 ASP A 76 -18.277 3.840 0.042 1.00 33.23 H new ATOM 0 HB3 ASP A 76 -17.656 2.258 -0.385 1.00 33.23 H new ATOM 870 N PRO A 77 -16.882 0.437 1.764 1.00 11.41 N ATOM 871 CA PRO A 77 -15.659 -0.344 1.964 1.00 74.34 C ATOM 872 C PRO A 77 -14.624 -0.092 0.872 1.00 3.05 C ATOM 873 O PRO A 77 -13.447 0.128 1.160 1.00 54.31 O ATOM 874 CB PRO A 77 -16.149 -1.793 1.912 1.00 62.34 C ATOM 875 CG PRO A 77 -17.394 -1.742 1.094 1.00 3.44 C ATOM 876 CD PRO A 77 -18.027 -0.410 1.388 1.00 12.32 C ATOM 0 HA PRO A 77 -15.158 -0.083 2.896 1.00 74.34 H new ATOM 0 HB2 PRO A 77 -15.404 -2.447 1.459 1.00 62.34 H new ATOM 0 HB3 PRO A 77 -16.347 -2.180 2.911 1.00 62.34 H new ATOM 0 HG2 PRO A 77 -17.168 -1.841 0.032 1.00 3.44 H new ATOM 0 HG3 PRO A 77 -18.066 -2.560 1.354 1.00 3.44 H new ATOM 0 HD2 PRO A 77 -18.551 -0.014 0.518 1.00 12.32 H new ATOM 0 HD3 PRO A 77 -18.756 -0.481 2.195 1.00 12.32 H new ATOM 884 N GLN A 78 -15.071 -0.125 -0.378 1.00 22.03 N ATOM 885 CA GLN A 78 -14.183 0.100 -1.513 1.00 20.20 C ATOM 886 C GLN A 78 -13.741 1.558 -1.577 1.00 31.22 C ATOM 887 O GLN A 78 -12.832 1.911 -2.330 1.00 34.23 O ATOM 888 CB GLN A 78 -14.878 -0.292 -2.817 1.00 23.11 C ATOM 889 CG GLN A 78 -15.262 -1.761 -2.885 1.00 52.33 C ATOM 890 CD GLN A 78 -14.073 -2.664 -3.147 1.00 11.41 C ATOM 891 OE1 GLN A 78 -12.922 -2.249 -3.009 1.00 41.05 O ATOM 892 NE2 GLN A 78 -14.345 -3.907 -3.528 1.00 41.45 N ATOM 0 H GLN A 78 -16.042 -0.305 -0.631 1.00 22.03 H new ATOM 0 HA GLN A 78 -13.299 -0.523 -1.380 1.00 20.20 H new ATOM 0 HB2 GLN A 78 -15.775 0.315 -2.937 1.00 23.11 H new ATOM 0 HB3 GLN A 78 -14.220 -0.058 -3.654 1.00 23.11 H new ATOM 0 HG2 GLN A 78 -15.735 -2.053 -1.947 1.00 52.33 H new ATOM 0 HG3 GLN A 78 -16.002 -1.903 -3.673 1.00 52.33 H new ATOM 0 HE21 GLN A 78 -15.314 -4.209 -3.630 1.00 41.45 H new ATOM 0 HE22 GLN A 78 -13.585 -4.560 -3.719 1.00 41.45 H new ATOM 901 N HIS A 79 -14.389 2.404 -0.782 1.00 40.31 N ATOM 902 CA HIS A 79 -14.063 3.825 -0.749 1.00 53.12 C ATOM 903 C HIS A 79 -13.197 4.155 0.463 1.00 14.42 C ATOM 904 O HIS A 79 -12.312 5.008 0.392 1.00 71.44 O ATOM 905 CB HIS A 79 -15.342 4.664 -0.719 1.00 4.55 C ATOM 906 CG HIS A 79 -16.170 4.535 -1.961 1.00 33.05 C ATOM 907 ND1 HIS A 79 -17.325 5.259 -2.172 1.00 23.33 N ATOM 908 CD2 HIS A 79 -16.005 3.763 -3.060 1.00 44.31 C ATOM 909 CE1 HIS A 79 -17.835 4.936 -3.347 1.00 34.04 C ATOM 910 NE2 HIS A 79 -17.053 4.031 -3.906 1.00 70.41 N ATOM 0 H HIS A 79 -15.143 2.130 -0.152 1.00 40.31 H new ATOM 0 HA HIS A 79 -13.502 4.064 -1.652 1.00 53.12 H new ATOM 0 HB2 HIS A 79 -15.942 4.367 0.141 1.00 4.55 H new ATOM 0 HB3 HIS A 79 -15.077 5.711 -0.576 1.00 4.55 H new ATOM 0 HD1 HIS A 79 -17.723 5.937 -1.523 1.00 23.33 H new ATOM 0 HD2 HIS A 79 -15.199 3.066 -3.239 1.00 44.31 H new ATOM 0 HE1 HIS A 79 -18.738 5.343 -3.777 1.00 34.04 H new ATOM 918 N ARG A 80 -13.458 3.475 1.575 1.00 4.22 N ATOM 919 CA ARG A 80 -12.704 3.697 2.802 1.00 30.13 C ATOM 920 C ARG A 80 -11.322 3.055 2.716 1.00 13.34 C ATOM 921 O ARG A 80 -10.337 3.611 3.201 1.00 23.11 O ATOM 922 CB ARG A 80 -13.465 3.134 4.003 1.00 5.54 C ATOM 923 CG ARG A 80 -14.144 4.199 4.848 1.00 32.10 C ATOM 924 CD ARG A 80 -14.754 3.605 6.108 1.00 61.34 C ATOM 925 NE ARG A 80 -15.983 2.866 5.825 1.00 63.42 N ATOM 926 CZ ARG A 80 -16.010 1.569 5.541 1.00 71.04 C ATOM 927 NH1 ARG A 80 -14.883 0.871 5.502 1.00 64.32 N ATOM 928 NH2 ARG A 80 -17.167 0.967 5.295 1.00 51.11 N ATOM 0 H ARG A 80 -14.187 2.765 1.651 1.00 4.22 H new ATOM 0 HA ARG A 80 -12.579 4.772 2.931 1.00 30.13 H new ATOM 0 HB2 ARG A 80 -14.217 2.430 3.648 1.00 5.54 H new ATOM 0 HB3 ARG A 80 -12.773 2.572 4.630 1.00 5.54 H new ATOM 0 HG2 ARG A 80 -13.419 4.966 5.120 1.00 32.10 H new ATOM 0 HG3 ARG A 80 -14.922 4.689 4.262 1.00 32.10 H new ATOM 0 HD2 ARG A 80 -14.032 2.940 6.582 1.00 61.34 H new ATOM 0 HD3 ARG A 80 -14.966 4.403 6.819 1.00 61.34 H new ATOM 0 HE ARG A 80 -16.867 3.374 5.847 1.00 63.42 H new ATOM 0 HH11 ARG A 80 -13.992 1.330 5.690 1.00 64.32 H new ATOM 0 HH12 ARG A 80 -14.907 -0.125 5.284 1.00 64.32 H new ATOM 0 HH21 ARG A 80 -18.036 1.501 5.324 1.00 51.11 H new ATOM 0 HH22 ARG A 80 -17.187 -0.029 5.077 1.00 51.11 H new ATOM 942 N ARG A 81 -11.259 1.883 2.094 1.00 52.33 N ATOM 943 CA ARG A 81 -9.999 1.164 1.945 1.00 13.14 C ATOM 944 C ARG A 81 -9.102 1.846 0.916 1.00 31.35 C ATOM 945 O ARG A 81 -7.885 1.916 1.086 1.00 21.33 O ATOM 946 CB ARG A 81 -10.260 -0.285 1.528 1.00 64.45 C ATOM 947 CG ARG A 81 -9.191 -1.257 2.001 1.00 51.20 C ATOM 948 CD ARG A 81 -9.581 -1.919 3.313 1.00 20.30 C ATOM 949 NE ARG A 81 -8.865 -3.174 3.526 1.00 44.34 N ATOM 950 CZ ARG A 81 -9.090 -4.278 2.823 1.00 62.31 C ATOM 951 NH1 ARG A 81 -10.007 -4.282 1.864 1.00 63.52 N ATOM 952 NH2 ARG A 81 -8.397 -5.381 3.075 1.00 72.44 N ATOM 0 H ARG A 81 -12.065 1.411 1.685 1.00 52.33 H new ATOM 0 HA ARG A 81 -9.489 1.172 2.909 1.00 13.14 H new ATOM 0 HB2 ARG A 81 -11.226 -0.600 1.923 1.00 64.45 H new ATOM 0 HB3 ARG A 81 -10.329 -0.335 0.441 1.00 64.45 H new ATOM 0 HG2 ARG A 81 -9.030 -2.021 1.240 1.00 51.20 H new ATOM 0 HG3 ARG A 81 -8.246 -0.728 2.126 1.00 51.20 H new ATOM 0 HD2 ARG A 81 -9.373 -1.238 4.139 1.00 20.30 H new ATOM 0 HD3 ARG A 81 -10.654 -2.108 3.319 1.00 20.30 H new ATOM 0 HE ARG A 81 -8.153 -3.204 4.255 1.00 44.34 H new ATOM 0 HH11 ARG A 81 -10.541 -3.436 1.665 1.00 63.52 H new ATOM 0 HH12 ARG A 81 -10.178 -5.131 1.325 1.00 63.52 H new ATOM 0 HH21 ARG A 81 -7.690 -5.382 3.810 1.00 72.44 H new ATOM 0 HH22 ARG A 81 -8.572 -6.228 2.534 1.00 72.44 H new ATOM 966 N LYS A 82 -9.713 2.349 -0.152 1.00 13.53 N ATOM 967 CA LYS A 82 -8.971 3.027 -1.209 1.00 64.41 C ATOM 968 C LYS A 82 -8.364 4.329 -0.698 1.00 20.04 C ATOM 969 O LYS A 82 -7.173 4.586 -0.883 1.00 33.00 O ATOM 970 CB LYS A 82 -9.888 3.312 -2.401 1.00 4.21 C ATOM 971 CG LYS A 82 -9.158 3.359 -3.732 1.00 41.51 C ATOM 972 CD LYS A 82 -9.984 2.732 -4.843 1.00 45.43 C ATOM 973 CE LYS A 82 -9.716 1.239 -4.962 1.00 33.41 C ATOM 974 NZ LYS A 82 -10.936 0.488 -5.368 1.00 53.50 N ATOM 0 H LYS A 82 -10.720 2.300 -0.308 1.00 13.53 H new ATOM 0 HA LYS A 82 -8.162 2.371 -1.530 1.00 64.41 H new ATOM 0 HB2 LYS A 82 -10.660 2.544 -2.447 1.00 4.21 H new ATOM 0 HB3 LYS A 82 -10.394 4.264 -2.240 1.00 4.21 H new ATOM 0 HG2 LYS A 82 -8.930 4.394 -3.987 1.00 41.51 H new ATOM 0 HG3 LYS A 82 -8.206 2.835 -3.645 1.00 41.51 H new ATOM 0 HD2 LYS A 82 -11.044 2.898 -4.648 1.00 45.43 H new ATOM 0 HD3 LYS A 82 -9.753 3.221 -5.790 1.00 45.43 H new ATOM 0 HE2 LYS A 82 -8.925 1.069 -5.692 1.00 33.41 H new ATOM 0 HE3 LYS A 82 -9.355 0.857 -4.007 1.00 33.41 H new ATOM 0 HZ1 LYS A 82 -10.713 -0.525 -5.438 1.00 53.50 H new ATOM 0 HZ2 LYS A 82 -11.683 0.630 -4.658 1.00 53.50 H new ATOM 0 HZ3 LYS A 82 -11.266 0.835 -6.291 1.00 53.50 H new ATOM 988 N LEU A 83 -9.188 5.148 -0.054 1.00 25.51 N ATOM 989 CA LEU A 83 -8.732 6.425 0.486 1.00 70.13 C ATOM 990 C LEU A 83 -7.637 6.215 1.527 1.00 75.12 C ATOM 991 O LEU A 83 -6.732 7.039 1.667 1.00 34.51 O ATOM 992 CB LEU A 83 -9.903 7.187 1.107 1.00 44.33 C ATOM 993 CG LEU A 83 -10.012 8.667 0.741 1.00 35.54 C ATOM 994 CD1 LEU A 83 -10.453 8.827 -0.706 1.00 35.52 C ATOM 995 CD2 LEU A 83 -10.977 9.379 1.677 1.00 61.21 C ATOM 0 H LEU A 83 -10.176 4.951 0.107 1.00 25.51 H new ATOM 0 HA LEU A 83 -8.320 7.012 -0.335 1.00 70.13 H new ATOM 0 HB2 LEU A 83 -10.829 6.692 0.814 1.00 44.33 H new ATOM 0 HB3 LEU A 83 -9.828 7.106 2.191 1.00 44.33 H new ATOM 0 HG LEU A 83 -9.028 9.123 0.852 1.00 35.54 H new ATOM 0 HD11 LEU A 83 -10.525 9.887 -0.949 1.00 35.52 H new ATOM 0 HD12 LEU A 83 -9.724 8.353 -1.363 1.00 35.52 H new ATOM 0 HD13 LEU A 83 -11.426 8.356 -0.844 1.00 35.52 H new ATOM 0 HD21 LEU A 83 -11.042 10.432 1.401 1.00 61.21 H new ATOM 0 HD22 LEU A 83 -11.964 8.922 1.599 1.00 61.21 H new ATOM 0 HD23 LEU A 83 -10.618 9.294 2.703 1.00 61.21 H new ATOM 1007 N LEU A 84 -7.724 5.107 2.255 1.00 52.43 N ATOM 1008 CA LEU A 84 -6.740 4.787 3.283 1.00 3.44 C ATOM 1009 C LEU A 84 -5.416 4.363 2.655 1.00 72.44 C ATOM 1010 O LEU A 84 -4.351 4.560 3.240 1.00 40.35 O ATOM 1011 CB LEU A 84 -7.265 3.675 4.192 1.00 62.31 C ATOM 1012 CG LEU A 84 -7.673 4.098 5.604 1.00 2.22 C ATOM 1013 CD1 LEU A 84 -8.516 5.363 5.559 1.00 61.53 C ATOM 1014 CD2 LEU A 84 -8.428 2.976 6.300 1.00 42.04 C ATOM 0 H LEU A 84 -8.466 4.415 2.152 1.00 52.43 H new ATOM 0 HA LEU A 84 -6.569 5.684 3.879 1.00 3.44 H new ATOM 0 HB2 LEU A 84 -8.127 3.215 3.709 1.00 62.31 H new ATOM 0 HB3 LEU A 84 -6.497 2.906 4.273 1.00 62.31 H new ATOM 0 HG LEU A 84 -6.769 4.308 6.175 1.00 2.22 H new ATOM 0 HD11 LEU A 84 -8.797 5.649 6.573 1.00 61.53 H new ATOM 0 HD12 LEU A 84 -7.941 6.168 5.101 1.00 61.53 H new ATOM 0 HD13 LEU A 84 -9.415 5.180 4.971 1.00 61.53 H new ATOM 0 HD21 LEU A 84 -8.710 3.295 7.303 1.00 42.04 H new ATOM 0 HD22 LEU A 84 -9.325 2.733 5.731 1.00 42.04 H new ATOM 0 HD23 LEU A 84 -7.790 2.094 6.366 1.00 42.04 H new ATOM 1026 N GLN A 85 -5.490 3.783 1.462 1.00 74.24 N ATOM 1027 CA GLN A 85 -4.298 3.334 0.755 1.00 44.01 C ATOM 1028 C GLN A 85 -3.599 4.502 0.067 1.00 32.52 C ATOM 1029 O GLN A 85 -2.373 4.605 0.090 1.00 55.32 O ATOM 1030 CB GLN A 85 -4.662 2.263 -0.276 1.00 61.43 C ATOM 1031 CG GLN A 85 -3.512 1.329 -0.615 1.00 71.24 C ATOM 1032 CD GLN A 85 -3.491 0.088 0.256 1.00 43.33 C ATOM 1033 OE1 GLN A 85 -3.652 0.169 1.474 1.00 34.44 O ATOM 1034 NE2 GLN A 85 -3.292 -1.068 -0.364 1.00 23.34 N ATOM 0 H GLN A 85 -6.364 3.613 0.965 1.00 74.24 H new ATOM 0 HA GLN A 85 -3.614 2.905 1.487 1.00 44.01 H new ATOM 0 HB2 GLN A 85 -5.497 1.674 0.103 1.00 61.43 H new ATOM 0 HB3 GLN A 85 -5.004 2.751 -1.189 1.00 61.43 H new ATOM 0 HG2 GLN A 85 -3.586 1.033 -1.661 1.00 71.24 H new ATOM 0 HG3 GLN A 85 -2.569 1.864 -0.501 1.00 71.24 H new ATOM 0 HE21 GLN A 85 -3.163 -1.089 -1.376 1.00 23.34 H new ATOM 0 HE22 GLN A 85 -3.268 -1.936 0.171 1.00 23.34 H new ATOM 1043 N ALA A 86 -4.388 5.380 -0.544 1.00 13.42 N ATOM 1044 CA ALA A 86 -3.846 6.542 -1.236 1.00 23.11 C ATOM 1045 C ALA A 86 -3.417 7.620 -0.247 1.00 41.35 C ATOM 1046 O ALA A 86 -2.648 8.518 -0.588 1.00 54.52 O ATOM 1047 CB ALA A 86 -4.870 7.099 -2.214 1.00 11.45 C ATOM 0 H ALA A 86 -5.405 5.308 -0.573 1.00 13.42 H new ATOM 0 HA ALA A 86 -2.964 6.224 -1.792 1.00 23.11 H new ATOM 0 HB1 ALA A 86 -4.452 7.967 -2.724 1.00 11.45 H new ATOM 0 HB2 ALA A 86 -5.125 6.335 -2.948 1.00 11.45 H new ATOM 0 HB3 ALA A 86 -5.768 7.395 -1.671 1.00 11.45 H new ATOM 1053 N ALA A 87 -3.918 7.524 0.980 1.00 50.32 N ATOM 1054 CA ALA A 87 -3.584 8.490 2.019 1.00 1.44 C ATOM 1055 C ALA A 87 -2.272 8.127 2.705 1.00 72.32 C ATOM 1056 O ALA A 87 -1.394 8.974 2.873 1.00 20.43 O ATOM 1057 CB ALA A 87 -4.710 8.578 3.039 1.00 23.42 C ATOM 0 H ALA A 87 -4.557 6.787 1.279 1.00 50.32 H new ATOM 0 HA ALA A 87 -3.459 9.465 1.548 1.00 1.44 H new ATOM 0 HB1 ALA A 87 -4.447 9.303 3.809 1.00 23.42 H new ATOM 0 HB2 ALA A 87 -5.627 8.893 2.542 1.00 23.42 H new ATOM 0 HB3 ALA A 87 -4.863 7.601 3.497 1.00 23.42 H new ATOM 1063 N ARG A 88 -2.146 6.866 3.102 1.00 40.04 N ATOM 1064 CA ARG A 88 -0.942 6.392 3.773 1.00 15.24 C ATOM 1065 C ARG A 88 0.215 6.264 2.786 1.00 1.23 C ATOM 1066 O ARG A 88 1.379 6.205 3.182 1.00 31.43 O ATOM 1067 CB ARG A 88 -1.204 5.043 4.445 1.00 34.33 C ATOM 1068 CG ARG A 88 -1.380 5.139 5.952 1.00 20.20 C ATOM 1069 CD ARG A 88 -2.802 4.797 6.369 1.00 33.11 C ATOM 1070 NE ARG A 88 -2.845 4.113 7.659 1.00 14.11 N ATOM 1071 CZ ARG A 88 -2.655 4.724 8.822 1.00 23.21 C ATOM 1072 NH1 ARG A 88 -2.410 6.027 8.857 1.00 42.15 N ATOM 1073 NH2 ARG A 88 -2.710 4.033 9.953 1.00 35.20 N ATOM 0 H ARG A 88 -2.864 6.153 2.971 1.00 40.04 H new ATOM 0 HA ARG A 88 -0.669 7.123 4.535 1.00 15.24 H new ATOM 0 HB2 ARG A 88 -2.099 4.598 4.011 1.00 34.33 H new ATOM 0 HB3 ARG A 88 -0.375 4.370 4.226 1.00 34.33 H new ATOM 0 HG2 ARG A 88 -0.682 4.462 6.445 1.00 20.20 H new ATOM 0 HG3 ARG A 88 -1.135 6.148 6.285 1.00 20.20 H new ATOM 0 HD2 ARG A 88 -3.393 5.711 6.424 1.00 33.11 H new ATOM 0 HD3 ARG A 88 -3.261 4.165 5.608 1.00 33.11 H new ATOM 0 HE ARG A 88 -3.031 3.110 7.667 1.00 14.11 H new ATOM 0 HH11 ARG A 88 -2.367 6.561 7.989 1.00 42.15 H new ATOM 0 HH12 ARG A 88 -2.264 6.495 9.752 1.00 42.15 H new ATOM 0 HH21 ARG A 88 -2.898 3.031 9.930 1.00 35.20 H new ATOM 0 HH22 ARG A 88 -2.564 4.504 10.846 1.00 35.20 H new ATOM 1087 N SER A 89 -0.114 6.220 1.498 1.00 60.43 N ATOM 1088 CA SER A 89 0.897 6.094 0.456 1.00 31.34 C ATOM 1089 C SER A 89 1.685 7.391 0.303 1.00 64.31 C ATOM 1090 O SER A 89 2.698 7.438 -0.395 1.00 22.54 O ATOM 1091 CB SER A 89 0.242 5.723 -0.877 1.00 41.01 C ATOM 1092 OG SER A 89 1.204 5.641 -1.913 1.00 40.14 O ATOM 0 H SER A 89 -1.072 6.270 1.152 1.00 60.43 H new ATOM 0 HA SER A 89 1.587 5.302 0.748 1.00 31.34 H new ATOM 0 HB2 SER A 89 -0.273 4.768 -0.779 1.00 41.01 H new ATOM 0 HB3 SER A 89 -0.512 6.467 -1.135 1.00 41.01 H new ATOM 0 HG SER A 89 1.994 6.166 -1.668 1.00 40.14 H new ATOM 1098 N LEU A 90 1.213 8.443 0.962 1.00 13.20 N ATOM 1099 CA LEU A 90 1.873 9.743 0.902 1.00 20.50 C ATOM 1100 C LEU A 90 3.154 9.743 1.731 1.00 33.31 C ATOM 1101 O LEU A 90 3.353 8.904 2.609 1.00 24.22 O ATOM 1102 CB LEU A 90 0.930 10.840 1.402 1.00 31.32 C ATOM 1103 CG LEU A 90 0.128 11.575 0.328 1.00 52.04 C ATOM 1104 CD1 LEU A 90 -1.244 10.941 0.158 1.00 13.43 C ATOM 1105 CD2 LEU A 90 -0.004 13.050 0.677 1.00 41.41 C ATOM 0 H LEU A 90 0.376 8.422 1.544 1.00 13.20 H new ATOM 0 HA LEU A 90 2.134 9.942 -0.137 1.00 20.50 H new ATOM 0 HB2 LEU A 90 0.230 10.395 2.109 1.00 31.32 H new ATOM 0 HB3 LEU A 90 1.518 11.573 1.954 1.00 31.32 H new ATOM 0 HG LEU A 90 0.663 11.492 -0.618 1.00 52.04 H new ATOM 0 HD11 LEU A 90 -1.800 11.478 -0.611 1.00 13.43 H new ATOM 0 HD12 LEU A 90 -1.129 9.899 -0.139 1.00 13.43 H new ATOM 0 HD13 LEU A 90 -1.788 10.992 1.101 1.00 13.43 H new ATOM 0 HD21 LEU A 90 -0.578 13.557 -0.099 1.00 41.41 H new ATOM 0 HD22 LEU A 90 -0.516 13.153 1.634 1.00 41.41 H new ATOM 0 HD23 LEU A 90 0.987 13.498 0.746 1.00 41.41 H new ATOM 1117 N PRO A 91 4.043 10.706 1.447 1.00 61.04 N ATOM 1118 CA PRO A 91 5.318 10.840 2.156 1.00 0.30 C ATOM 1119 C PRO A 91 5.135 11.299 3.598 1.00 31.13 C ATOM 1120 O PRO A 91 4.010 11.412 4.087 1.00 53.20 O ATOM 1121 CB PRO A 91 6.064 11.905 1.348 1.00 50.35 C ATOM 1122 CG PRO A 91 4.990 12.703 0.692 1.00 2.33 C ATOM 1123 CD PRO A 91 3.871 11.739 0.412 1.00 23.44 C ATOM 0 HA PRO A 91 5.846 9.889 2.225 1.00 0.30 H new ATOM 0 HB2 PRO A 91 6.684 12.529 1.992 1.00 50.35 H new ATOM 0 HB3 PRO A 91 6.726 11.451 0.611 1.00 50.35 H new ATOM 0 HG2 PRO A 91 4.655 13.513 1.340 1.00 2.33 H new ATOM 0 HG3 PRO A 91 5.351 13.160 -0.229 1.00 2.33 H new ATOM 0 HD2 PRO A 91 2.897 12.222 0.485 1.00 23.44 H new ATOM 0 HD3 PRO A 91 3.944 11.319 -0.591 1.00 23.44 H new ATOM 1131 N LYS A 92 6.246 11.561 4.278 1.00 32.51 N ATOM 1132 CA LYS A 92 6.208 12.010 5.665 1.00 1.54 C ATOM 1133 C LYS A 92 6.410 13.519 5.755 1.00 11.31 C ATOM 1134 O LYS A 92 7.246 14.086 5.051 1.00 11.14 O ATOM 1135 CB LYS A 92 7.283 11.291 6.484 1.00 24.45 C ATOM 1136 CG LYS A 92 8.695 11.536 5.982 1.00 34.54 C ATOM 1137 CD LYS A 92 9.346 10.251 5.498 1.00 43.24 C ATOM 1138 CE LYS A 92 10.856 10.289 5.679 1.00 22.10 C ATOM 1139 NZ LYS A 92 11.311 9.351 6.742 1.00 24.23 N ATOM 0 H LYS A 92 7.185 11.470 3.891 1.00 32.51 H new ATOM 0 HA LYS A 92 5.226 11.768 6.072 1.00 1.54 H new ATOM 0 HB2 LYS A 92 7.214 11.615 7.522 1.00 24.45 H new ATOM 0 HB3 LYS A 92 7.082 10.220 6.471 1.00 24.45 H new ATOM 0 HG2 LYS A 92 8.672 12.262 5.169 1.00 34.54 H new ATOM 0 HG3 LYS A 92 9.296 11.971 6.781 1.00 34.54 H new ATOM 0 HD2 LYS A 92 8.934 9.404 6.047 1.00 43.24 H new ATOM 0 HD3 LYS A 92 9.108 10.095 4.446 1.00 43.24 H new ATOM 0 HE2 LYS A 92 11.341 10.033 4.737 1.00 22.10 H new ATOM 0 HE3 LYS A 92 11.166 11.303 5.932 1.00 22.10 H new ATOM 0 HZ1 LYS A 92 12.345 9.407 6.835 1.00 24.23 H new ATOM 0 HZ2 LYS A 92 10.868 9.610 7.647 1.00 24.23 H new ATOM 0 HZ3 LYS A 92 11.038 8.380 6.488 1.00 24.23 H new ATOM 1153 N VAL A 93 5.641 14.163 6.625 1.00 22.10 N ATOM 1154 CA VAL A 93 5.737 15.607 6.809 1.00 41.34 C ATOM 1155 C VAL A 93 6.265 15.950 8.197 1.00 71.23 C ATOM 1156 O VAL A 93 5.963 15.267 9.176 1.00 62.52 O ATOM 1157 CB VAL A 93 4.371 16.290 6.609 1.00 15.35 C ATOM 1158 CG1 VAL A 93 3.364 15.782 7.628 1.00 45.14 C ATOM 1159 CG2 VAL A 93 4.515 17.802 6.697 1.00 64.23 C ATOM 0 H VAL A 93 4.944 13.708 7.215 1.00 22.10 H new ATOM 0 HA VAL A 93 6.434 15.976 6.057 1.00 41.34 H new ATOM 0 HB VAL A 93 4.001 16.039 5.615 1.00 15.35 H new ATOM 0 HG11 VAL A 93 2.406 16.277 7.470 1.00 45.14 H new ATOM 0 HG12 VAL A 93 3.240 14.705 7.512 1.00 45.14 H new ATOM 0 HG13 VAL A 93 3.723 15.999 8.634 1.00 45.14 H new ATOM 0 HG21 VAL A 93 3.541 18.269 6.553 1.00 64.23 H new ATOM 0 HG22 VAL A 93 4.907 18.074 7.677 1.00 64.23 H new ATOM 0 HG23 VAL A 93 5.201 18.148 5.923 1.00 64.23 H new ATOM 1169 N LYS A 94 7.057 17.014 8.276 1.00 33.11 N ATOM 1170 CA LYS A 94 7.628 17.451 9.544 1.00 74.13 C ATOM 1171 C LYS A 94 6.628 18.292 10.330 1.00 13.12 C ATOM 1172 O LYS A 94 6.862 19.473 10.587 1.00 64.04 O ATOM 1173 CB LYS A 94 8.908 18.255 9.302 1.00 63.31 C ATOM 1174 CG LYS A 94 10.014 17.452 8.641 1.00 1.04 C ATOM 1175 CD LYS A 94 10.433 16.268 9.498 1.00 2.13 C ATOM 1176 CE LYS A 94 11.929 16.010 9.399 1.00 55.41 C ATOM 1177 NZ LYS A 94 12.358 14.892 10.285 1.00 3.32 N ATOM 0 H LYS A 94 7.318 17.590 7.476 1.00 33.11 H new ATOM 0 HA LYS A 94 7.869 16.564 10.129 1.00 74.13 H new ATOM 0 HB2 LYS A 94 8.673 19.117 8.677 1.00 63.31 H new ATOM 0 HB3 LYS A 94 9.270 18.641 10.255 1.00 63.31 H new ATOM 0 HG2 LYS A 94 9.675 17.096 7.668 1.00 1.04 H new ATOM 0 HG3 LYS A 94 10.875 18.096 8.462 1.00 1.04 H new ATOM 0 HD2 LYS A 94 10.163 16.456 10.537 1.00 2.13 H new ATOM 0 HD3 LYS A 94 9.888 15.378 9.183 1.00 2.13 H new ATOM 0 HE2 LYS A 94 12.190 15.776 8.367 1.00 55.41 H new ATOM 0 HE3 LYS A 94 12.473 16.916 9.668 1.00 55.41 H new ATOM 0 HZ1 LYS A 94 13.383 14.747 10.189 1.00 3.32 H new ATOM 0 HZ2 LYS A 94 12.132 15.126 11.273 1.00 3.32 H new ATOM 0 HZ3 LYS A 94 11.858 14.022 10.012 1.00 3.32 H new ATOM 1191 N ALA A 95 5.513 17.677 10.710 1.00 43.24 N ATOM 1192 CA ALA A 95 4.479 18.369 11.470 1.00 22.34 C ATOM 1193 C ALA A 95 4.820 18.403 12.956 1.00 53.05 C ATOM 1194 O ALA A 95 4.758 17.382 13.641 1.00 63.35 O ATOM 1195 CB ALA A 95 3.128 17.703 11.250 1.00 52.25 C ATOM 0 H ALA A 95 5.302 16.700 10.504 1.00 43.24 H new ATOM 0 HA ALA A 95 4.427 19.398 11.113 1.00 22.34 H new ATOM 0 HB1 ALA A 95 2.365 18.230 11.823 1.00 52.25 H new ATOM 0 HB2 ALA A 95 2.874 17.737 10.191 1.00 52.25 H new ATOM 0 HB3 ALA A 95 3.176 16.665 11.578 1.00 52.25 H new ATOM 1201 N LEU A 96 5.179 19.584 13.449 1.00 64.45 N ATOM 1202 CA LEU A 96 5.530 19.751 14.854 1.00 14.02 C ATOM 1203 C LEU A 96 4.604 20.757 15.531 1.00 34.44 C ATOM 1204 O LEU A 96 4.949 21.338 16.559 1.00 71.42 O ATOM 1205 CB LEU A 96 6.983 20.209 14.986 1.00 51.12 C ATOM 1206 CG LEU A 96 7.523 21.067 13.841 1.00 73.52 C ATOM 1207 CD1 LEU A 96 6.807 22.407 13.795 1.00 13.14 C ATOM 1208 CD2 LEU A 96 9.024 21.268 13.987 1.00 22.44 C ATOM 0 H LEU A 96 5.234 20.439 12.896 1.00 64.45 H new ATOM 0 HA LEU A 96 5.413 18.787 15.349 1.00 14.02 H new ATOM 0 HB2 LEU A 96 7.083 20.772 15.914 1.00 51.12 H new ATOM 0 HB3 LEU A 96 7.614 19.325 15.080 1.00 51.12 H new ATOM 0 HG LEU A 96 7.336 20.545 12.902 1.00 73.52 H new ATOM 0 HD11 LEU A 96 7.204 23.004 12.974 1.00 13.14 H new ATOM 0 HD12 LEU A 96 5.740 22.244 13.642 1.00 13.14 H new ATOM 0 HD13 LEU A 96 6.962 22.935 14.736 1.00 13.14 H new ATOM 0 HD21 LEU A 96 9.391 21.881 13.164 1.00 22.44 H new ATOM 0 HD22 LEU A 96 9.234 21.768 14.933 1.00 22.44 H new ATOM 0 HD23 LEU A 96 9.524 20.300 13.969 1.00 22.44 H new ATOM 1220 N GLY A 97 3.427 20.955 14.947 1.00 30.52 N ATOM 1221 CA GLY A 97 2.468 21.890 15.508 1.00 24.04 C ATOM 1222 C GLY A 97 1.242 21.196 16.069 1.00 63.23 C ATOM 1223 O GLY A 97 0.792 21.511 17.171 1.00 25.44 O ATOM 0 H GLY A 97 3.120 20.485 14.095 1.00 30.52 H new ATOM 0 HA2 GLY A 97 2.948 22.468 16.298 1.00 24.04 H new ATOM 0 HA3 GLY A 97 2.161 22.597 14.737 1.00 24.04 H new ATOM 1227 N TYR A 98 0.699 20.252 15.309 1.00 25.14 N ATOM 1228 CA TYR A 98 -0.485 19.515 15.734 1.00 64.42 C ATOM 1229 C TYR A 98 -0.098 18.300 16.571 1.00 51.13 C ATOM 1230 O TYR A 98 -0.845 17.879 17.455 1.00 44.34 O ATOM 1231 CB TYR A 98 -1.300 19.072 14.517 1.00 63.01 C ATOM 1232 CG TYR A 98 -2.787 18.998 14.779 1.00 12.11 C ATOM 1233 CD1 TYR A 98 -3.479 20.091 15.287 1.00 53.53 C ATOM 1234 CD2 TYR A 98 -3.501 17.835 14.518 1.00 14.42 C ATOM 1235 CE1 TYR A 98 -4.837 20.028 15.528 1.00 3.43 C ATOM 1236 CE2 TYR A 98 -4.860 17.763 14.755 1.00 72.14 C ATOM 1237 CZ TYR A 98 -5.524 18.862 15.259 1.00 62.14 C ATOM 1238 OH TYR A 98 -6.877 18.795 15.498 1.00 14.41 O ATOM 0 H TYR A 98 1.060 19.979 14.395 1.00 25.14 H new ATOM 0 HA TYR A 98 -1.094 20.178 16.349 1.00 64.42 H new ATOM 0 HB2 TYR A 98 -1.118 19.766 13.696 1.00 63.01 H new ATOM 0 HB3 TYR A 98 -0.948 18.093 14.191 1.00 63.01 H new ATOM 0 HD1 TYR A 98 -2.945 21.006 15.497 1.00 53.53 H new ATOM 0 HD2 TYR A 98 -2.985 16.973 14.123 1.00 14.42 H new ATOM 0 HE1 TYR A 98 -5.359 20.886 15.925 1.00 3.43 H new ATOM 0 HE2 TYR A 98 -5.400 16.851 14.547 1.00 72.14 H new ATOM 0 HH TYR A 98 -7.209 17.906 15.254 1.00 14.41 H new ATOM 1248 N ASP A 99 1.072 17.742 16.288 1.00 64.12 N ATOM 1249 CA ASP A 99 1.561 16.576 17.014 1.00 43.03 C ATOM 1250 C ASP A 99 1.677 16.876 18.506 1.00 30.11 C ATOM 1251 O ASP A 99 1.194 16.114 19.342 1.00 40.41 O ATOM 1252 CB ASP A 99 2.918 16.136 16.463 1.00 22.25 C ATOM 1253 CG ASP A 99 2.855 14.782 15.784 1.00 73.14 C ATOM 1254 OD1 ASP A 99 2.103 13.909 16.268 1.00 62.33 O ATOM 1255 OD2 ASP A 99 3.556 14.595 14.768 1.00 3.24 O ATOM 0 H ASP A 99 1.701 18.079 15.559 1.00 64.12 H new ATOM 0 HA ASP A 99 0.844 15.767 16.878 1.00 43.03 H new ATOM 0 HB2 ASP A 99 3.277 16.880 15.751 1.00 22.25 H new ATOM 0 HB3 ASP A 99 3.642 16.098 17.277 1.00 22.25 H new ATOM 1260 N GLY A 100 2.324 17.991 18.832 1.00 30.40 N ATOM 1261 CA GLY A 100 2.493 18.371 20.222 1.00 21.03 C ATOM 1262 C GLY A 100 1.170 18.614 20.922 1.00 71.20 C ATOM 1263 O GLY A 100 0.601 17.703 21.522 1.00 45.11 O ATOM 0 H GLY A 100 2.734 18.638 18.158 1.00 30.40 H new ATOM 0 HA2 GLY A 100 3.039 17.587 20.746 1.00 21.03 H new ATOM 0 HA3 GLY A 100 3.101 19.274 20.277 1.00 21.03 H new ATOM 1267 N ASN A 101 0.680 19.847 20.847 1.00 21.13 N ATOM 1268 CA ASN A 101 -0.583 20.209 21.481 1.00 21.40 C ATOM 1269 C ASN A 101 -1.584 20.717 20.447 1.00 52.20 C ATOM 1270 O ASN A 101 -1.198 21.232 19.397 1.00 73.11 O ATOM 1271 CB ASN A 101 -0.353 21.276 22.553 1.00 4.53 C ATOM 1272 CG ASN A 101 0.465 20.755 23.720 1.00 13.32 C ATOM 1273 OD1 ASN A 101 1.444 21.376 24.131 1.00 64.14 O ATOM 1274 ND2 ASN A 101 0.064 19.609 24.259 1.00 14.14 N ATOM 0 H ASN A 101 1.138 20.613 20.353 1.00 21.13 H new ATOM 0 HA ASN A 101 -0.994 19.316 21.951 1.00 21.40 H new ATOM 0 HB2 ASN A 101 0.157 22.131 22.108 1.00 4.53 H new ATOM 0 HB3 ASN A 101 -1.316 21.634 22.918 1.00 4.53 H new ATOM 0 HD21 ASN A 101 0.574 19.210 25.047 1.00 14.14 H new ATOM 0 HD22 ASN A 101 -0.754 19.128 23.885 1.00 14.14 H new TER 1281 ASN A 101