USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=11 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 Set 1.1: A 27 THR OG1 : rot 180:sc= 0.097 USER MOD Set 1.2: A 30 GLN : amide:sc= -1.81 K(o=-1.7,f=-2.8!) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= -0.0106 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0971 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.211 K(o=-0.21,f=-1.2) USER MOD Single : A 43 GLN : amide:sc= -1.38 X(o=-1.4,f=-1.3) USER MOD Single : A 44 TYR OH : rot 180:sc= -1.01 USER MOD Single : A 46 SER OG : rot 180:sc= 0.00375 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -1.08! C(o=-1.1!,f=-3!) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -3.01 K(o=-3,f=-5!) USER MOD Single : A 64 MET CE :methyl 166:sc= -2.35 (180deg=-3!) 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 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 SER OG : rot -16:sc= 0.401 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 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 21 -2.860 -4.973 2.128 1.00 0.00 N ATOM 2 CA MET A 21 -1.596 -4.985 2.854 1.00 52.33 C ATOM 3 C MET A 21 -0.464 -4.446 1.985 1.00 63.31 C ATOM 4 O MET A 21 0.526 -3.921 2.494 1.00 71.25 O ATOM 5 CB MET A 21 -1.264 -6.403 3.322 1.00 2.52 C ATOM 6 CG MET A 21 -1.316 -7.437 2.208 1.00 60.21 C ATOM 7 SD MET A 21 -1.127 -9.124 2.817 1.00 13.12 S ATOM 8 CE MET A 21 -2.177 -10.017 1.673 1.00 51.14 C ATOM 0 HA MET A 21 -1.701 -4.338 3.725 1.00 52.33 H new ATOM 0 HB2 MET A 21 -0.268 -6.407 3.765 1.00 2.52 H new ATOM 0 HB3 MET A 21 -1.963 -6.691 4.107 1.00 2.52 H new ATOM 0 HG2 MET A 21 -2.266 -7.350 1.680 1.00 60.21 H new ATOM 0 HG3 MET A 21 -0.529 -7.226 1.484 1.00 60.21 H new ATOM 0 HE1 MET A 21 -2.165 -11.078 1.920 1.00 51.14 H new ATOM 0 HE2 MET A 21 -3.197 -9.640 1.745 1.00 51.14 H new ATOM 0 HE3 MET A 21 -1.809 -9.877 0.657 1.00 51.14 H new ATOM 18 N ILE A 22 -0.618 -4.580 0.672 1.00 72.20 N ATOM 19 CA ILE A 22 0.391 -4.105 -0.267 1.00 74.31 C ATOM 20 C ILE A 22 -0.227 -3.197 -1.325 1.00 3.25 C ATOM 21 O ILE A 22 -1.449 -3.095 -1.433 1.00 53.33 O ATOM 22 CB ILE A 22 1.105 -5.278 -0.966 1.00 25.52 C ATOM 23 CG1 ILE A 22 0.085 -6.188 -1.652 1.00 4.05 C ATOM 24 CG2 ILE A 22 1.935 -6.065 0.036 1.00 31.33 C ATOM 25 CD1 ILE A 22 0.281 -6.296 -3.149 1.00 51.51 C ATOM 0 H ILE A 22 -1.431 -5.013 0.234 1.00 72.20 H new ATOM 0 HA ILE A 22 1.121 -3.539 0.312 1.00 74.31 H new ATOM 0 HB ILE A 22 1.774 -4.876 -1.726 1.00 25.52 H new ATOM 0 HG12 ILE A 22 0.146 -7.184 -1.213 1.00 4.05 H new ATOM 0 HG13 ILE A 22 -0.918 -5.812 -1.451 1.00 4.05 H new ATOM 0 HG21 ILE A 22 2.433 -6.890 -0.473 1.00 31.33 H new ATOM 0 HG22 ILE A 22 2.683 -5.410 0.483 1.00 31.33 H new ATOM 0 HG23 ILE A 22 1.285 -6.460 0.817 1.00 31.33 H new ATOM 0 HD11 ILE A 22 -0.477 -6.957 -3.569 1.00 51.51 H new ATOM 0 HD12 ILE A 22 0.191 -5.308 -3.600 1.00 51.51 H new ATOM 0 HD13 ILE A 22 1.271 -6.701 -3.358 1.00 51.51 H new ATOM 37 N SER A 23 0.627 -2.542 -2.105 1.00 14.52 N ATOM 38 CA SER A 23 0.165 -1.639 -3.154 1.00 24.41 C ATOM 39 C SER A 23 1.331 -1.175 -4.022 1.00 72.30 C ATOM 40 O SER A 23 2.451 -1.668 -3.893 1.00 61.10 O ATOM 41 CB SER A 23 -0.543 -0.431 -2.541 1.00 15.33 C ATOM 42 OG SER A 23 0.381 0.600 -2.234 1.00 3.43 O ATOM 0 H SER A 23 1.641 -2.619 -2.031 1.00 14.52 H new ATOM 0 HA SER A 23 -0.540 -2.182 -3.783 1.00 24.41 H new ATOM 0 HB2 SER A 23 -1.295 -0.055 -3.235 1.00 15.33 H new ATOM 0 HB3 SER A 23 -1.069 -0.734 -1.635 1.00 15.33 H new ATOM 0 HG SER A 23 -0.097 1.362 -1.845 1.00 3.43 H new ATOM 48 N GLY A 24 1.057 -0.224 -4.909 1.00 24.14 N ATOM 49 CA GLY A 24 2.091 0.293 -5.787 1.00 51.04 C ATOM 50 C GLY A 24 1.796 1.701 -6.265 1.00 72.32 C ATOM 51 O GLY A 24 1.603 1.930 -7.460 1.00 12.03 O ATOM 0 H GLY A 24 0.137 0.198 -5.036 1.00 24.14 H new ATOM 0 HA2 GLY A 24 3.047 0.283 -5.263 1.00 51.04 H new ATOM 0 HA3 GLY A 24 2.194 -0.366 -6.649 1.00 51.04 H new ATOM 55 N LEU A 25 1.760 2.645 -5.333 1.00 31.11 N ATOM 56 CA LEU A 25 1.485 4.039 -5.666 1.00 21.41 C ATOM 57 C LEU A 25 2.451 4.973 -4.944 1.00 34.34 C ATOM 58 O LEU A 25 3.049 4.603 -3.933 1.00 44.25 O ATOM 59 CB LEU A 25 0.044 4.397 -5.299 1.00 14.10 C ATOM 60 CG LEU A 25 -1.048 3.703 -6.116 1.00 4.43 C ATOM 61 CD1 LEU A 25 -2.314 3.546 -5.289 1.00 51.30 C ATOM 62 CD2 LEU A 25 -1.335 4.481 -7.392 1.00 33.24 C ATOM 0 H LEU A 25 1.918 2.472 -4.340 1.00 31.11 H new ATOM 0 HA LEU A 25 1.622 4.163 -6.740 1.00 21.41 H new ATOM 0 HB2 LEU A 25 -0.111 4.160 -4.246 1.00 14.10 H new ATOM 0 HB3 LEU A 25 -0.080 5.475 -5.405 1.00 14.10 H new ATOM 0 HG LEU A 25 -0.693 2.710 -6.392 1.00 4.43 H new ATOM 0 HD11 LEU A 25 -3.080 3.051 -5.886 1.00 51.30 H new ATOM 0 HD12 LEU A 25 -2.099 2.946 -4.405 1.00 51.30 H new ATOM 0 HD13 LEU A 25 -2.672 4.529 -4.982 1.00 51.30 H new ATOM 0 HD21 LEU A 25 -2.114 3.973 -7.960 1.00 33.24 H new ATOM 0 HD22 LEU A 25 -1.669 5.487 -7.138 1.00 33.24 H new ATOM 0 HD23 LEU A 25 -0.428 4.541 -7.993 1.00 33.24 H new ATOM 74 N ARG A 26 2.597 6.185 -5.468 1.00 43.30 N ATOM 75 CA ARG A 26 3.490 7.173 -4.873 1.00 70.54 C ATOM 76 C ARG A 26 3.281 8.545 -5.504 1.00 71.23 C ATOM 77 O ARG A 26 4.239 9.266 -5.785 1.00 53.32 O ATOM 78 CB ARG A 26 4.949 6.739 -5.041 1.00 60.41 C ATOM 79 CG ARG A 26 5.367 6.561 -6.491 1.00 35.33 C ATOM 80 CD ARG A 26 6.880 6.597 -6.642 1.00 33.14 C ATOM 81 NE ARG A 26 7.291 7.286 -7.863 1.00 43.10 N ATOM 82 CZ ARG A 26 8.508 7.186 -8.388 1.00 51.43 C ATOM 83 NH1 ARG A 26 9.427 6.431 -7.804 1.00 64.12 N ATOM 84 NH2 ARG A 26 8.806 7.844 -9.501 1.00 24.53 N ATOM 0 H ARG A 26 2.109 6.507 -6.304 1.00 43.30 H new ATOM 0 HA ARG A 26 3.258 7.242 -3.810 1.00 70.54 H new ATOM 0 HB2 ARG A 26 5.596 7.481 -4.573 1.00 60.41 H new ATOM 0 HB3 ARG A 26 5.104 5.800 -4.509 1.00 60.41 H new ATOM 0 HG2 ARG A 26 4.985 5.612 -6.867 1.00 35.33 H new ATOM 0 HG3 ARG A 26 4.921 7.348 -7.099 1.00 35.33 H new ATOM 0 HD2 ARG A 26 7.319 7.097 -5.778 1.00 33.14 H new ATOM 0 HD3 ARG A 26 7.268 5.578 -6.652 1.00 33.14 H new ATOM 0 HE ARG A 26 6.607 7.875 -8.338 1.00 43.10 H new ATOM 0 HH11 ARG A 26 9.202 5.924 -6.948 1.00 64.12 H new ATOM 0 HH12 ARG A 26 10.360 6.357 -8.210 1.00 64.12 H new ATOM 0 HH21 ARG A 26 8.101 8.426 -9.953 1.00 24.53 H new ATOM 0 HH22 ARG A 26 9.740 7.768 -9.904 1.00 24.53 H new ATOM 98 N THR A 27 2.019 8.903 -5.726 1.00 74.20 N ATOM 99 CA THR A 27 1.682 10.188 -6.325 1.00 3.15 C ATOM 100 C THR A 27 1.675 11.297 -5.279 1.00 11.44 C ATOM 101 O THR A 27 1.536 11.036 -4.083 1.00 13.24 O ATOM 102 CB THR A 27 0.308 10.141 -7.019 1.00 64.45 C ATOM 103 OG1 THR A 27 -0.426 8.994 -6.577 1.00 75.14 O ATOM 104 CG2 THR A 27 0.466 10.097 -8.531 1.00 62.34 C ATOM 0 H THR A 27 1.213 8.320 -5.499 1.00 74.20 H new ATOM 0 HA THR A 27 2.449 10.401 -7.070 1.00 3.15 H new ATOM 0 HB THR A 27 -0.239 11.046 -6.753 1.00 64.45 H new ATOM 0 HG1 THR A 27 -1.299 8.973 -7.022 1.00 75.14 H new ATOM 0 HG21 THR A 27 -0.518 10.064 -8.999 1.00 62.34 H new ATOM 0 HG22 THR A 27 0.998 10.987 -8.867 1.00 62.34 H new ATOM 0 HG23 THR A 27 1.031 9.208 -8.812 1.00 62.34 H new ATOM 112 N LEU A 28 1.822 12.536 -5.736 1.00 61.05 N ATOM 113 CA LEU A 28 1.830 13.686 -4.839 1.00 24.32 C ATOM 114 C LEU A 28 1.463 14.963 -5.588 1.00 71.42 C ATOM 115 O LEU A 28 1.107 14.923 -6.765 1.00 42.34 O ATOM 116 CB LEU A 28 3.207 13.840 -4.189 1.00 1.20 C ATOM 117 CG LEU A 28 4.345 14.257 -5.119 1.00 31.40 C ATOM 118 CD1 LEU A 28 5.173 15.366 -4.486 1.00 43.04 C ATOM 119 CD2 LEU A 28 5.224 13.061 -5.457 1.00 12.14 C ATOM 0 H LEU A 28 1.937 12.770 -6.722 1.00 61.05 H new ATOM 0 HA LEU A 28 1.085 13.516 -4.062 1.00 24.32 H new ATOM 0 HB2 LEU A 28 3.129 14.577 -3.390 1.00 1.20 H new ATOM 0 HB3 LEU A 28 3.475 12.892 -3.723 1.00 1.20 H new ATOM 0 HG LEU A 28 3.911 14.637 -6.044 1.00 31.40 H new ATOM 0 HD11 LEU A 28 5.979 15.650 -5.163 1.00 43.04 H new ATOM 0 HD12 LEU A 28 4.538 16.231 -4.295 1.00 43.04 H new ATOM 0 HD13 LEU A 28 5.596 15.013 -3.546 1.00 43.04 H new ATOM 0 HD21 LEU A 28 6.029 13.377 -6.120 1.00 12.14 H new ATOM 0 HD22 LEU A 28 5.649 12.651 -4.541 1.00 12.14 H new ATOM 0 HD23 LEU A 28 4.624 12.297 -5.952 1.00 12.14 H new ATOM 131 N GLU A 29 1.555 16.096 -4.897 1.00 71.21 N ATOM 132 CA GLU A 29 1.234 17.385 -5.498 1.00 54.42 C ATOM 133 C GLU A 29 -0.027 17.287 -6.352 1.00 50.35 C ATOM 134 O GLU A 29 -0.118 17.903 -7.414 1.00 23.30 O ATOM 135 CB GLU A 29 2.403 17.880 -6.350 1.00 64.24 C ATOM 136 CG GLU A 29 2.680 17.015 -7.568 1.00 53.41 C ATOM 137 CD GLU A 29 3.527 17.723 -8.608 1.00 22.11 C ATOM 138 OE1 GLU A 29 3.801 18.928 -8.428 1.00 22.55 O ATOM 139 OE2 GLU A 29 3.914 17.073 -9.601 1.00 0.41 O ATOM 0 H GLU A 29 1.849 16.147 -3.922 1.00 71.21 H new ATOM 0 HA GLU A 29 1.053 18.098 -4.694 1.00 54.42 H new ATOM 0 HB2 GLU A 29 2.196 18.899 -6.678 1.00 64.24 H new ATOM 0 HB3 GLU A 29 3.300 17.920 -5.732 1.00 64.24 H new ATOM 0 HG2 GLU A 29 3.186 16.102 -7.253 1.00 53.41 H new ATOM 0 HG3 GLU A 29 1.734 16.715 -8.019 1.00 53.41 H new ATOM 146 N GLN A 30 -0.996 16.509 -5.880 1.00 11.21 N ATOM 147 CA GLN A 30 -2.251 16.330 -6.601 1.00 53.41 C ATOM 148 C GLN A 30 -3.423 16.883 -5.798 1.00 1.24 C ATOM 149 O GLN A 30 -3.685 16.442 -4.679 1.00 70.32 O ATOM 150 CB GLN A 30 -2.480 14.849 -6.908 1.00 14.42 C ATOM 151 CG GLN A 30 -2.316 13.945 -5.697 1.00 43.14 C ATOM 152 CD GLN A 30 -2.545 12.482 -6.027 1.00 14.25 C ATOM 153 OE1 GLN A 30 -3.104 12.150 -7.072 1.00 75.34 O ATOM 154 NE2 GLN A 30 -2.111 11.600 -5.134 1.00 41.52 N ATOM 0 H GLN A 30 -0.936 15.993 -5.002 1.00 11.21 H new ATOM 0 HA GLN A 30 -2.185 16.882 -7.539 1.00 53.41 H new ATOM 0 HB2 GLN A 30 -3.484 14.721 -7.313 1.00 14.42 H new ATOM 0 HB3 GLN A 30 -1.781 14.535 -7.683 1.00 14.42 H new ATOM 0 HG2 GLN A 30 -1.313 14.069 -5.289 1.00 43.14 H new ATOM 0 HG3 GLN A 30 -3.017 14.253 -4.921 1.00 43.14 H new ATOM 0 HE21 GLN A 30 -1.653 11.921 -4.281 1.00 41.52 H new ATOM 0 HE22 GLN A 30 -2.236 10.602 -5.301 1.00 41.52 H new ATOM 163 N SER A 31 -4.126 17.852 -6.376 1.00 15.30 N ATOM 164 CA SER A 31 -5.270 18.468 -5.712 1.00 20.14 C ATOM 165 C SER A 31 -6.278 17.410 -5.273 1.00 72.11 C ATOM 166 O SER A 31 -6.203 16.253 -5.689 1.00 2.02 O ATOM 167 CB SER A 31 -5.945 19.475 -6.643 1.00 15.13 C ATOM 168 OG SER A 31 -5.077 19.858 -7.698 1.00 35.43 O ATOM 0 H SER A 31 -3.924 18.228 -7.303 1.00 15.30 H new ATOM 0 HA SER A 31 -4.907 18.989 -4.826 1.00 20.14 H new ATOM 0 HB2 SER A 31 -6.855 19.039 -7.057 1.00 15.13 H new ATOM 0 HB3 SER A 31 -6.243 20.356 -6.075 1.00 15.13 H new ATOM 0 HG SER A 31 -5.533 20.501 -8.280 1.00 35.43 H new ATOM 174 N VAL A 32 -7.220 17.815 -4.428 1.00 21.10 N ATOM 175 CA VAL A 32 -8.245 16.904 -3.932 1.00 5.34 C ATOM 176 C VAL A 32 -9.006 16.253 -5.081 1.00 4.34 C ATOM 177 O VAL A 32 -9.119 15.030 -5.153 1.00 0.24 O ATOM 178 CB VAL A 32 -9.246 17.631 -3.015 1.00 43.33 C ATOM 179 CG1 VAL A 32 -10.344 16.680 -2.561 1.00 72.24 C ATOM 180 CG2 VAL A 32 -8.529 18.239 -1.819 1.00 3.55 C ATOM 0 H VAL A 32 -7.295 18.768 -4.072 1.00 21.10 H new ATOM 0 HA VAL A 32 -7.731 16.133 -3.358 1.00 5.34 H new ATOM 0 HB VAL A 32 -9.709 18.439 -3.582 1.00 43.33 H new ATOM 0 HG11 VAL A 32 -11.042 17.212 -1.914 1.00 72.24 H new ATOM 0 HG12 VAL A 32 -10.877 16.297 -3.432 1.00 72.24 H new ATOM 0 HG13 VAL A 32 -9.901 15.849 -2.012 1.00 72.24 H new ATOM 0 HG21 VAL A 32 -9.252 18.749 -1.182 1.00 3.55 H new ATOM 0 HG22 VAL A 32 -8.037 17.450 -1.250 1.00 3.55 H new ATOM 0 HG23 VAL A 32 -7.784 18.954 -2.167 1.00 3.55 H new ATOM 190 N GLY A 33 -9.527 17.081 -5.983 1.00 71.41 N ATOM 191 CA GLY A 33 -10.271 16.569 -7.118 1.00 1.03 C ATOM 192 C GLY A 33 -9.468 15.577 -7.937 1.00 4.54 C ATOM 193 O GLY A 33 -9.852 14.415 -8.066 1.00 23.33 O ATOM 0 H GLY A 33 -9.446 18.097 -5.947 1.00 71.41 H new ATOM 0 HA2 GLY A 33 -11.183 16.089 -6.764 1.00 1.03 H new ATOM 0 HA3 GLY A 33 -10.574 17.400 -7.755 1.00 1.03 H new ATOM 197 N GLU A 34 -8.352 16.037 -8.493 1.00 14.20 N ATOM 198 CA GLU A 34 -7.494 15.182 -9.306 1.00 2.12 C ATOM 199 C GLU A 34 -7.115 13.914 -8.547 1.00 53.45 C ATOM 200 O GLU A 34 -7.237 12.806 -9.068 1.00 72.43 O ATOM 201 CB GLU A 34 -6.231 15.937 -9.724 1.00 30.02 C ATOM 202 CG GLU A 34 -5.161 15.046 -10.329 1.00 30.44 C ATOM 203 CD GLU A 34 -5.625 14.355 -11.597 1.00 41.34 C ATOM 204 OE1 GLU A 34 -5.984 15.064 -12.560 1.00 13.54 O ATOM 205 OE2 GLU A 34 -5.630 13.106 -11.625 1.00 3.31 O ATOM 0 H GLU A 34 -8.020 16.997 -8.396 1.00 14.20 H new ATOM 0 HA GLU A 34 -8.050 14.898 -10.200 1.00 2.12 H new ATOM 0 HB2 GLU A 34 -6.501 16.708 -10.446 1.00 30.02 H new ATOM 0 HB3 GLU A 34 -5.818 16.447 -8.854 1.00 30.02 H new ATOM 0 HG2 GLU A 34 -4.277 15.644 -10.549 1.00 30.44 H new ATOM 0 HG3 GLU A 34 -4.864 14.294 -9.598 1.00 30.44 H new ATOM 212 N TRP A 35 -6.652 14.086 -7.314 1.00 34.44 N ATOM 213 CA TRP A 35 -6.254 12.956 -6.483 1.00 74.51 C ATOM 214 C TRP A 35 -7.359 11.908 -6.422 1.00 42.13 C ATOM 215 O TRP A 35 -7.134 10.734 -6.719 1.00 42.12 O ATOM 216 CB TRP A 35 -5.906 13.432 -5.072 1.00 72.25 C ATOM 217 CG TRP A 35 -5.674 12.309 -4.106 1.00 42.51 C ATOM 218 CD1 TRP A 35 -5.048 11.123 -4.364 1.00 34.01 C ATOM 219 CD2 TRP A 35 -6.066 12.267 -2.730 1.00 43.01 C ATOM 220 NE1 TRP A 35 -5.028 10.345 -3.231 1.00 22.00 N ATOM 221 CE2 TRP A 35 -5.645 11.025 -2.215 1.00 40.11 C ATOM 222 CE3 TRP A 35 -6.730 13.157 -1.882 1.00 34.34 C ATOM 223 CZ2 TRP A 35 -5.869 10.654 -0.891 1.00 54.43 C ATOM 224 CZ3 TRP A 35 -6.951 12.788 -0.569 1.00 62.41 C ATOM 225 CH2 TRP A 35 -6.520 11.546 -0.083 1.00 53.30 C ATOM 0 H TRP A 35 -6.543 14.997 -6.868 1.00 34.44 H new ATOM 0 HA TRP A 35 -5.372 12.500 -6.933 1.00 74.51 H new ATOM 0 HB2 TRP A 35 -5.012 14.054 -5.116 1.00 72.25 H new ATOM 0 HB3 TRP A 35 -6.714 14.061 -4.699 1.00 72.25 H new ATOM 0 HD1 TRP A 35 -4.630 10.838 -5.318 1.00 34.01 H new ATOM 0 HE1 TRP A 35 -4.620 9.413 -3.159 1.00 22.00 H new ATOM 0 HE3 TRP A 35 -7.065 14.117 -2.247 1.00 34.34 H new ATOM 0 HZ2 TRP A 35 -5.540 9.696 -0.516 1.00 54.43 H new ATOM 0 HZ3 TRP A 35 -7.465 13.468 0.094 1.00 62.41 H new ATOM 0 HH2 TRP A 35 -6.705 11.288 0.949 1.00 53.30 H new ATOM 236 N LEU A 36 -8.555 12.338 -6.035 1.00 32.21 N ATOM 237 CA LEU A 36 -9.697 11.436 -5.934 1.00 63.31 C ATOM 238 C LEU A 36 -10.101 10.914 -7.310 1.00 40.04 C ATOM 239 O LEU A 36 -10.635 9.813 -7.434 1.00 0.32 O ATOM 240 CB LEU A 36 -10.881 12.150 -5.280 1.00 64.11 C ATOM 241 CG LEU A 36 -10.655 12.659 -3.855 1.00 54.14 C ATOM 242 CD1 LEU A 36 -11.597 13.811 -3.544 1.00 32.45 C ATOM 243 CD2 LEU A 36 -10.838 11.530 -2.852 1.00 61.13 C ATOM 0 H LEU A 36 -8.759 13.306 -5.786 1.00 32.21 H new ATOM 0 HA LEU A 36 -9.405 10.588 -5.314 1.00 63.31 H new ATOM 0 HB2 LEU A 36 -11.160 12.997 -5.907 1.00 64.11 H new ATOM 0 HB3 LEU A 36 -11.731 11.467 -5.270 1.00 64.11 H new ATOM 0 HG LEU A 36 -9.631 13.025 -3.777 1.00 54.14 H new ATOM 0 HD11 LEU A 36 -11.422 14.160 -2.526 1.00 32.45 H new ATOM 0 HD12 LEU A 36 -11.417 14.627 -4.243 1.00 32.45 H new ATOM 0 HD13 LEU A 36 -12.629 13.473 -3.639 1.00 32.45 H new ATOM 0 HD21 LEU A 36 -10.674 11.909 -1.843 1.00 61.13 H new ATOM 0 HD22 LEU A 36 -11.851 11.134 -2.930 1.00 61.13 H new ATOM 0 HD23 LEU A 36 -10.121 10.736 -3.063 1.00 61.13 H new ATOM 255 N GLU A 37 -9.841 11.713 -8.340 1.00 14.23 N ATOM 256 CA GLU A 37 -10.176 11.330 -9.707 1.00 44.15 C ATOM 257 C GLU A 37 -9.313 10.161 -10.171 1.00 3.12 C ATOM 258 O GLU A 37 -9.725 9.370 -11.020 1.00 3.23 O ATOM 259 CB GLU A 37 -9.995 12.520 -10.652 1.00 0.32 C ATOM 260 CG GLU A 37 -11.284 12.964 -11.325 1.00 25.55 C ATOM 261 CD GLU A 37 -11.252 12.775 -12.829 1.00 54.15 C ATOM 262 OE1 GLU A 37 -11.035 11.630 -13.277 1.00 22.41 O ATOM 263 OE2 GLU A 37 -11.443 13.771 -13.557 1.00 72.55 O ATOM 0 H GLU A 37 -9.400 12.629 -8.254 1.00 14.23 H new ATOM 0 HA GLU A 37 -11.220 11.017 -9.725 1.00 44.15 H new ATOM 0 HB2 GLU A 37 -9.580 13.358 -10.092 1.00 0.32 H new ATOM 0 HB3 GLU A 37 -9.266 12.257 -11.419 1.00 0.32 H new ATOM 0 HG2 GLU A 37 -12.119 12.400 -10.909 1.00 25.55 H new ATOM 0 HG3 GLU A 37 -11.464 14.015 -11.098 1.00 25.55 H new ATOM 270 N SER A 38 -8.112 10.060 -9.611 1.00 41.52 N ATOM 271 CA SER A 38 -7.188 8.991 -9.970 1.00 43.50 C ATOM 272 C SER A 38 -7.666 7.651 -9.418 1.00 44.21 C ATOM 273 O SER A 38 -7.304 6.592 -9.931 1.00 32.52 O ATOM 274 CB SER A 38 -5.786 9.302 -9.443 1.00 63.23 C ATOM 275 OG SER A 38 -4.996 8.128 -9.372 1.00 32.02 O ATOM 0 H SER A 38 -7.756 10.706 -8.906 1.00 41.52 H new ATOM 0 HA SER A 38 -7.153 8.924 -11.057 1.00 43.50 H new ATOM 0 HB2 SER A 38 -5.303 10.031 -10.094 1.00 63.23 H new ATOM 0 HB3 SER A 38 -5.858 9.756 -8.455 1.00 63.23 H new ATOM 0 HG SER A 38 -4.104 8.354 -9.034 1.00 32.02 H new ATOM 281 N ILE A 39 -8.480 7.707 -8.370 1.00 24.35 N ATOM 282 CA ILE A 39 -9.008 6.499 -7.748 1.00 60.42 C ATOM 283 C ILE A 39 -10.468 6.277 -8.131 1.00 1.15 C ATOM 284 O ILE A 39 -10.975 5.159 -8.061 1.00 3.33 O ATOM 285 CB ILE A 39 -8.896 6.561 -6.213 1.00 4.50 C ATOM 286 CG1 ILE A 39 -9.636 7.787 -5.674 1.00 20.12 C ATOM 287 CG2 ILE A 39 -7.435 6.589 -5.790 1.00 42.04 C ATOM 288 CD1 ILE A 39 -9.612 7.892 -4.166 1.00 5.35 C ATOM 0 H ILE A 39 -8.788 8.576 -7.934 1.00 24.35 H new ATOM 0 HA ILE A 39 -8.407 5.667 -8.115 1.00 60.42 H new ATOM 0 HB ILE A 39 -9.359 5.668 -5.793 1.00 4.50 H new ATOM 0 HG12 ILE A 39 -9.191 8.686 -6.100 1.00 20.12 H new ATOM 0 HG13 ILE A 39 -10.672 7.753 -6.011 1.00 20.12 H new ATOM 0 HG21 ILE A 39 -7.372 6.633 -4.703 1.00 42.04 H new ATOM 0 HG22 ILE A 39 -6.936 5.688 -6.147 1.00 42.04 H new ATOM 0 HG23 ILE A 39 -6.949 7.466 -6.217 1.00 42.04 H new ATOM 0 HD11 ILE A 39 -10.155 8.784 -3.855 1.00 5.35 H new ATOM 0 HD12 ILE A 39 -10.084 7.010 -3.732 1.00 5.35 H new ATOM 0 HD13 ILE A 39 -8.580 7.957 -3.822 1.00 5.35 H new ATOM 300 N GLY A 40 -11.137 7.352 -8.538 1.00 71.22 N ATOM 301 CA GLY A 40 -12.531 7.253 -8.929 1.00 52.30 C ATOM 302 C GLY A 40 -13.475 7.694 -7.827 1.00 71.13 C ATOM 303 O GLY A 40 -14.649 7.322 -7.819 1.00 33.14 O ATOM 0 H GLY A 40 -10.739 8.289 -8.604 1.00 71.22 H new ATOM 0 HA2 GLY A 40 -12.701 7.865 -9.815 1.00 52.30 H new ATOM 0 HA3 GLY A 40 -12.756 6.223 -9.205 1.00 52.30 H new ATOM 307 N LEU A 41 -12.961 8.488 -6.893 1.00 43.40 N ATOM 308 CA LEU A 41 -13.765 8.980 -5.781 1.00 52.32 C ATOM 309 C LEU A 41 -13.924 10.495 -5.851 1.00 52.54 C ATOM 310 O LEU A 41 -14.334 11.131 -4.880 1.00 74.32 O ATOM 311 CB LEU A 41 -13.126 8.584 -4.449 1.00 71.33 C ATOM 312 CG LEU A 41 -12.845 7.093 -4.256 1.00 41.42 C ATOM 313 CD1 LEU A 41 -12.326 6.823 -2.853 1.00 31.25 C ATOM 314 CD2 LEU A 41 -14.099 6.274 -4.529 1.00 14.14 C ATOM 0 H LEU A 41 -11.991 8.804 -6.885 1.00 43.40 H new ATOM 0 HA LEU A 41 -14.754 8.526 -5.852 1.00 52.32 H new ATOM 0 HB2 LEU A 41 -12.187 9.127 -4.344 1.00 71.33 H new ATOM 0 HB3 LEU A 41 -13.779 8.918 -3.642 1.00 71.33 H new ATOM 0 HG LEU A 41 -12.076 6.794 -4.969 1.00 41.42 H new ATOM 0 HD11 LEU A 41 -12.132 5.757 -2.736 1.00 31.25 H new ATOM 0 HD12 LEU A 41 -11.402 7.379 -2.693 1.00 31.25 H new ATOM 0 HD13 LEU A 41 -13.071 7.139 -2.122 1.00 31.25 H new ATOM 0 HD21 LEU A 41 -13.880 5.216 -4.387 1.00 14.14 H new ATOM 0 HD22 LEU A 41 -14.888 6.577 -3.841 1.00 14.14 H new ATOM 0 HD23 LEU A 41 -14.427 6.442 -5.555 1.00 14.14 H new ATOM 326 N GLN A 42 -13.597 11.067 -7.005 1.00 45.22 N ATOM 327 CA GLN A 42 -13.704 12.507 -7.202 1.00 5.41 C ATOM 328 C GLN A 42 -15.111 12.998 -6.875 1.00 10.21 C ATOM 329 O GLN A 42 -15.312 14.171 -6.564 1.00 21.41 O ATOM 330 CB GLN A 42 -13.346 12.875 -8.643 1.00 41.24 C ATOM 331 CG GLN A 42 -12.871 14.310 -8.804 1.00 13.20 C ATOM 332 CD GLN A 42 -13.732 15.105 -9.765 1.00 4.11 C ATOM 333 OE1 GLN A 42 -14.920 14.824 -9.931 1.00 55.42 O ATOM 334 NE2 GLN A 42 -13.139 16.107 -10.404 1.00 33.04 N ATOM 0 H GLN A 42 -13.256 10.555 -7.818 1.00 45.22 H new ATOM 0 HA GLN A 42 -13.002 12.993 -6.525 1.00 5.41 H new ATOM 0 HB2 GLN A 42 -12.567 12.201 -8.998 1.00 41.24 H new ATOM 0 HB3 GLN A 42 -14.218 12.716 -9.277 1.00 41.24 H new ATOM 0 HG2 GLN A 42 -12.872 14.800 -7.831 1.00 13.20 H new ATOM 0 HG3 GLN A 42 -11.841 14.310 -9.160 1.00 13.20 H new ATOM 0 HE21 GLN A 42 -12.153 16.306 -10.237 1.00 33.04 H new ATOM 0 HE22 GLN A 42 -13.670 16.678 -11.062 1.00 33.04 H new ATOM 343 N GLN A 43 -16.080 12.092 -6.948 1.00 23.01 N ATOM 344 CA GLN A 43 -17.468 12.434 -6.660 1.00 42.31 C ATOM 345 C GLN A 43 -17.630 12.883 -5.212 1.00 31.15 C ATOM 346 O GLN A 43 -18.460 13.739 -4.906 1.00 2.15 O ATOM 347 CB GLN A 43 -18.379 11.237 -6.940 1.00 30.54 C ATOM 348 CG GLN A 43 -18.044 10.011 -6.106 1.00 13.14 C ATOM 349 CD GLN A 43 -17.825 8.771 -6.953 1.00 4.30 C ATOM 350 OE1 GLN A 43 -18.382 8.645 -8.043 1.00 75.43 O ATOM 351 NE2 GLN A 43 -17.011 7.850 -6.454 1.00 32.55 N ATOM 0 H GLN A 43 -15.930 11.116 -7.204 1.00 23.01 H new ATOM 0 HA GLN A 43 -17.754 13.260 -7.311 1.00 42.31 H new ATOM 0 HB2 GLN A 43 -19.413 11.525 -6.749 1.00 30.54 H new ATOM 0 HB3 GLN A 43 -18.310 10.978 -7.996 1.00 30.54 H new ATOM 0 HG2 GLN A 43 -17.147 10.209 -5.520 1.00 13.14 H new ATOM 0 HG3 GLN A 43 -18.852 9.825 -5.399 1.00 13.14 H new ATOM 0 HE21 GLN A 43 -16.571 7.997 -5.546 1.00 32.55 H new ATOM 0 HE22 GLN A 43 -16.825 6.995 -6.979 1.00 32.55 H new ATOM 360 N TYR A 44 -16.830 12.302 -4.325 1.00 53.33 N ATOM 361 CA TYR A 44 -16.886 12.641 -2.908 1.00 21.31 C ATOM 362 C TYR A 44 -16.036 13.873 -2.609 1.00 21.55 C ATOM 363 O TYR A 44 -15.868 14.257 -1.453 1.00 1.25 O ATOM 364 CB TYR A 44 -16.408 11.461 -2.061 1.00 62.50 C ATOM 365 CG TYR A 44 -17.493 10.859 -1.196 1.00 71.52 C ATOM 366 CD1 TYR A 44 -17.929 11.505 -0.045 1.00 40.54 C ATOM 367 CD2 TYR A 44 -18.080 9.645 -1.527 1.00 74.53 C ATOM 368 CE1 TYR A 44 -18.919 10.960 0.749 1.00 14.14 C ATOM 369 CE2 TYR A 44 -19.071 9.093 -0.739 1.00 74.14 C ATOM 370 CZ TYR A 44 -19.487 9.754 0.398 1.00 22.33 C ATOM 371 OH TYR A 44 -20.473 9.206 1.185 1.00 21.24 O ATOM 0 H TYR A 44 -16.135 11.594 -4.562 1.00 53.33 H new ATOM 0 HA TYR A 44 -17.922 12.866 -2.655 1.00 21.31 H new ATOM 0 HB2 TYR A 44 -16.010 10.689 -2.720 1.00 62.50 H new ATOM 0 HB3 TYR A 44 -15.588 11.791 -1.424 1.00 62.50 H new ATOM 0 HD1 TYR A 44 -17.486 12.450 0.233 1.00 40.54 H new ATOM 0 HD2 TYR A 44 -17.756 9.124 -2.416 1.00 74.53 H new ATOM 0 HE1 TYR A 44 -19.246 11.476 1.640 1.00 14.14 H new ATOM 0 HE2 TYR A 44 -19.518 8.148 -1.012 1.00 74.14 H new ATOM 0 HH TYR A 44 -20.767 8.355 0.797 1.00 21.24 H new ATOM 381 N GLU A 45 -15.504 14.487 -3.661 1.00 23.43 N ATOM 382 CA GLU A 45 -14.672 15.675 -3.512 1.00 45.35 C ATOM 383 C GLU A 45 -15.372 16.725 -2.654 1.00 61.44 C ATOM 384 O GLU A 45 -14.824 17.191 -1.655 1.00 44.32 O ATOM 385 CB GLU A 45 -14.334 16.264 -4.883 1.00 32.34 C ATOM 386 CG GLU A 45 -13.632 17.610 -4.810 1.00 42.53 C ATOM 387 CD GLU A 45 -13.133 18.080 -6.163 1.00 53.30 C ATOM 388 OE1 GLU A 45 -13.469 17.435 -7.178 1.00 31.32 O ATOM 389 OE2 GLU A 45 -12.405 19.095 -6.207 1.00 53.20 O ATOM 0 H GLU A 45 -15.634 14.181 -4.625 1.00 23.43 H new ATOM 0 HA GLU A 45 -13.748 15.380 -3.014 1.00 45.35 H new ATOM 0 HB2 GLU A 45 -13.700 15.562 -5.425 1.00 32.34 H new ATOM 0 HB3 GLU A 45 -15.253 16.374 -5.459 1.00 32.34 H new ATOM 0 HG2 GLU A 45 -14.318 18.352 -4.402 1.00 42.53 H new ATOM 0 HG3 GLU A 45 -12.791 17.540 -4.120 1.00 42.53 H new ATOM 396 N SER A 46 -16.585 17.092 -3.051 1.00 74.45 N ATOM 397 CA SER A 46 -17.359 18.090 -2.322 1.00 53.41 C ATOM 398 C SER A 46 -17.432 17.743 -0.838 1.00 2.32 C ATOM 399 O SER A 46 -17.040 18.537 0.018 1.00 40.42 O ATOM 400 CB SER A 46 -18.772 18.196 -2.902 1.00 21.35 C ATOM 401 OG SER A 46 -18.736 18.282 -4.316 1.00 71.21 O ATOM 0 H SER A 46 -17.054 16.713 -3.874 1.00 74.45 H new ATOM 0 HA SER A 46 -16.857 19.052 -2.429 1.00 53.41 H new ATOM 0 HB2 SER A 46 -19.358 17.327 -2.602 1.00 21.35 H new ATOM 0 HB3 SER A 46 -19.272 19.074 -2.493 1.00 21.35 H new ATOM 0 HG SER A 46 -19.650 18.347 -4.663 1.00 71.21 H new ATOM 407 N LYS A 47 -17.937 16.551 -0.539 1.00 52.31 N ATOM 408 CA LYS A 47 -18.061 16.094 0.840 1.00 32.00 C ATOM 409 C LYS A 47 -16.713 16.139 1.551 1.00 25.31 C ATOM 410 O LYS A 47 -16.627 16.521 2.719 1.00 3.24 O ATOM 411 CB LYS A 47 -18.624 14.672 0.880 1.00 45.22 C ATOM 412 CG LYS A 47 -20.038 14.593 1.431 1.00 41.21 C ATOM 413 CD LYS A 47 -21.055 15.121 0.433 1.00 40.34 C ATOM 414 CE LYS A 47 -21.563 14.016 -0.482 1.00 24.10 C ATOM 415 NZ LYS A 47 -21.828 14.515 -1.860 1.00 44.25 N ATOM 0 H LYS A 47 -18.268 15.883 -1.235 1.00 52.31 H new ATOM 0 HA LYS A 47 -18.748 16.764 1.358 1.00 32.00 H new ATOM 0 HB2 LYS A 47 -18.612 14.257 -0.128 1.00 45.22 H new ATOM 0 HB3 LYS A 47 -17.970 14.048 1.489 1.00 45.22 H new ATOM 0 HG2 LYS A 47 -20.275 13.559 1.681 1.00 41.21 H new ATOM 0 HG3 LYS A 47 -20.102 15.167 2.355 1.00 41.21 H new ATOM 0 HD2 LYS A 47 -21.894 15.567 0.968 1.00 40.34 H new ATOM 0 HD3 LYS A 47 -20.603 15.912 -0.166 1.00 40.34 H new ATOM 0 HE2 LYS A 47 -20.829 13.211 -0.522 1.00 24.10 H new ATOM 0 HE3 LYS A 47 -22.478 13.593 -0.067 1.00 24.10 H new ATOM 0 HZ1 LYS A 47 -22.172 13.733 -2.452 1.00 44.25 H new ATOM 0 HZ2 LYS A 47 -22.547 15.265 -1.825 1.00 44.25 H new ATOM 0 HZ3 LYS A 47 -20.950 14.896 -2.266 1.00 44.25 H new ATOM 429 N LEU A 48 -15.661 15.748 0.840 1.00 0.24 N ATOM 430 CA LEU A 48 -14.315 15.745 1.403 1.00 61.20 C ATOM 431 C LEU A 48 -13.743 17.158 1.455 1.00 42.21 C ATOM 432 O LEU A 48 -12.662 17.383 1.999 1.00 23.30 O ATOM 433 CB LEU A 48 -13.398 14.842 0.577 1.00 13.43 C ATOM 434 CG LEU A 48 -12.230 14.203 1.330 1.00 44.52 C ATOM 435 CD1 LEU A 48 -11.965 12.798 0.812 1.00 2.33 C ATOM 436 CD2 LEU A 48 -10.981 15.063 1.206 1.00 4.51 C ATOM 0 H LEU A 48 -15.714 15.429 -0.127 1.00 0.24 H new ATOM 0 HA LEU A 48 -14.374 15.359 2.421 1.00 61.20 H new ATOM 0 HB2 LEU A 48 -14.002 14.046 0.141 1.00 13.43 H new ATOM 0 HB3 LEU A 48 -12.995 15.426 -0.250 1.00 13.43 H new ATOM 0 HG LEU A 48 -12.497 14.135 2.385 1.00 44.52 H new ATOM 0 HD11 LEU A 48 -11.131 12.360 1.360 1.00 2.33 H new ATOM 0 HD12 LEU A 48 -12.855 12.184 0.954 1.00 2.33 H new ATOM 0 HD13 LEU A 48 -11.719 12.842 -0.249 1.00 2.33 H new ATOM 0 HD21 LEU A 48 -10.160 14.593 1.748 1.00 4.51 H new ATOM 0 HD22 LEU A 48 -10.711 15.163 0.155 1.00 4.51 H new ATOM 0 HD23 LEU A 48 -11.175 16.050 1.627 1.00 4.51 H new ATOM 448 N LEU A 49 -14.476 18.109 0.887 1.00 1.22 N ATOM 449 CA LEU A 49 -14.044 19.502 0.870 1.00 22.31 C ATOM 450 C LEU A 49 -14.819 20.325 1.894 1.00 21.04 C ATOM 451 O LEU A 49 -14.298 21.293 2.450 1.00 33.35 O ATOM 452 CB LEU A 49 -14.230 20.097 -0.527 1.00 14.24 C ATOM 453 CG LEU A 49 -14.160 21.623 -0.621 1.00 14.42 C ATOM 454 CD1 LEU A 49 -12.827 22.129 -0.094 1.00 13.31 C ATOM 455 CD2 LEU A 49 -14.376 22.079 -2.056 1.00 64.13 C ATOM 0 H LEU A 49 -15.373 17.941 0.432 1.00 1.22 H new ATOM 0 HA LEU A 49 -12.987 19.532 1.133 1.00 22.31 H new ATOM 0 HB2 LEU A 49 -13.468 19.677 -1.184 1.00 14.24 H new ATOM 0 HB3 LEU A 49 -15.197 19.773 -0.913 1.00 14.24 H new ATOM 0 HG LEU A 49 -14.954 22.043 -0.004 1.00 14.42 H new ATOM 0 HD11 LEU A 49 -12.795 23.216 -0.169 1.00 13.31 H new ATOM 0 HD12 LEU A 49 -12.712 21.833 0.949 1.00 13.31 H new ATOM 0 HD13 LEU A 49 -12.016 21.701 -0.684 1.00 13.31 H new ATOM 0 HD21 LEU A 49 -14.323 23.167 -2.104 1.00 64.13 H new ATOM 0 HD22 LEU A 49 -13.604 21.649 -2.694 1.00 64.13 H new ATOM 0 HD23 LEU A 49 -15.356 21.748 -2.399 1.00 64.13 H new ATOM 467 N LEU A 50 -16.064 19.933 2.140 1.00 22.22 N ATOM 468 CA LEU A 50 -16.911 20.633 3.099 1.00 12.15 C ATOM 469 C LEU A 50 -16.710 20.081 4.508 1.00 64.21 C ATOM 470 O LEU A 50 -17.177 20.663 5.485 1.00 41.21 O ATOM 471 CB LEU A 50 -18.381 20.513 2.696 1.00 52.32 C ATOM 472 CG LEU A 50 -19.106 21.825 2.397 1.00 62.43 C ATOM 473 CD1 LEU A 50 -20.585 21.574 2.152 1.00 30.14 C ATOM 474 CD2 LEU A 50 -18.911 22.813 3.538 1.00 52.43 C ATOM 0 H LEU A 50 -16.509 19.134 1.689 1.00 22.22 H new ATOM 0 HA LEU A 50 -16.626 21.685 3.097 1.00 12.15 H new ATOM 0 HB2 LEU A 50 -18.444 19.877 1.813 1.00 52.32 H new ATOM 0 HB3 LEU A 50 -18.915 20.000 3.496 1.00 52.32 H new ATOM 0 HG LEU A 50 -18.678 22.257 1.492 1.00 62.43 H new ATOM 0 HD11 LEU A 50 -21.084 22.520 1.941 1.00 30.14 H new ATOM 0 HD12 LEU A 50 -20.704 20.903 1.301 1.00 30.14 H new ATOM 0 HD13 LEU A 50 -21.029 21.119 3.038 1.00 30.14 H new ATOM 0 HD21 LEU A 50 -19.434 23.742 3.309 1.00 52.43 H new ATOM 0 HD22 LEU A 50 -19.312 22.389 4.459 1.00 52.43 H new ATOM 0 HD23 LEU A 50 -17.848 23.017 3.665 1.00 52.43 H new ATOM 486 N ASN A 51 -16.011 18.954 4.602 1.00 73.41 N ATOM 487 CA ASN A 51 -15.748 18.324 5.890 1.00 22.20 C ATOM 488 C ASN A 51 -14.353 18.680 6.394 1.00 10.20 C ATOM 489 O ASN A 51 -13.778 17.966 7.214 1.00 2.33 O ATOM 490 CB ASN A 51 -15.889 16.804 5.776 1.00 60.44 C ATOM 491 CG ASN A 51 -17.307 16.334 6.039 1.00 52.20 C ATOM 492 OD1 ASN A 51 -17.645 15.944 7.156 1.00 50.43 O ATOM 493 ND2 ASN A 51 -18.142 16.367 5.007 1.00 53.10 N ATOM 0 H ASN A 51 -15.617 18.459 3.802 1.00 73.41 H new ATOM 0 HA ASN A 51 -16.480 18.697 6.606 1.00 22.20 H new ATOM 0 HB2 ASN A 51 -15.583 16.487 4.779 1.00 60.44 H new ATOM 0 HB3 ASN A 51 -15.213 16.325 6.484 1.00 60.44 H new ATOM 0 HD21 ASN A 51 -19.108 16.061 5.123 1.00 53.10 H new ATOM 0 HD22 ASN A 51 -17.817 16.698 4.099 1.00 53.10 H new ATOM 500 N GLY A 52 -13.816 19.791 5.899 1.00 21.34 N ATOM 501 CA GLY A 52 -12.494 20.224 6.312 1.00 23.12 C ATOM 502 C GLY A 52 -11.459 19.122 6.190 1.00 64.40 C ATOM 503 O GLY A 52 -10.950 18.625 7.194 1.00 20.35 O ATOM 0 H GLY A 52 -14.273 20.399 5.219 1.00 21.34 H new ATOM 0 HA2 GLY A 52 -12.187 21.075 5.704 1.00 23.12 H new ATOM 0 HA3 GLY A 52 -12.534 20.568 7.345 1.00 23.12 H new ATOM 507 N PHE A 53 -11.148 18.738 4.956 1.00 4.22 N ATOM 508 CA PHE A 53 -10.169 17.687 4.706 1.00 32.51 C ATOM 509 C PHE A 53 -9.599 17.798 3.295 1.00 13.43 C ATOM 510 O PHE A 53 -9.109 16.819 2.733 1.00 72.43 O ATOM 511 CB PHE A 53 -10.807 16.310 4.903 1.00 31.13 C ATOM 512 CG PHE A 53 -9.931 15.344 5.646 1.00 64.31 C ATOM 513 CD1 PHE A 53 -8.588 15.216 5.325 1.00 41.10 C ATOM 514 CD2 PHE A 53 -10.448 14.563 6.667 1.00 44.33 C ATOM 515 CE1 PHE A 53 -7.779 14.329 6.007 1.00 24.22 C ATOM 516 CE2 PHE A 53 -9.642 13.673 7.353 1.00 63.41 C ATOM 517 CZ PHE A 53 -8.307 13.556 7.023 1.00 3.33 C ATOM 0 H PHE A 53 -11.560 19.139 4.114 1.00 4.22 H new ATOM 0 HA PHE A 53 -9.353 17.808 5.419 1.00 32.51 H new ATOM 0 HB2 PHE A 53 -11.745 16.428 5.445 1.00 31.13 H new ATOM 0 HB3 PHE A 53 -11.052 15.889 3.928 1.00 31.13 H new ATOM 0 HD1 PHE A 53 -8.170 15.818 4.532 1.00 41.10 H new ATOM 0 HD2 PHE A 53 -11.492 14.650 6.930 1.00 44.33 H new ATOM 0 HE1 PHE A 53 -6.735 14.240 5.747 1.00 24.22 H new ATOM 0 HE2 PHE A 53 -10.057 13.070 8.147 1.00 63.41 H new ATOM 0 HZ PHE A 53 -7.676 12.861 7.558 1.00 3.33 H new ATOM 527 N ASP A 54 -9.668 18.998 2.729 1.00 43.25 N ATOM 528 CA ASP A 54 -9.159 19.240 1.384 1.00 25.30 C ATOM 529 C ASP A 54 -7.644 19.418 1.401 1.00 32.24 C ATOM 530 O ASP A 54 -6.987 19.334 0.363 1.00 35.14 O ATOM 531 CB ASP A 54 -9.824 20.476 0.778 1.00 54.31 C ATOM 532 CG ASP A 54 -9.115 21.760 1.160 1.00 72.24 C ATOM 533 OD1 ASP A 54 -8.156 22.140 0.456 1.00 75.13 O ATOM 534 OD2 ASP A 54 -9.519 22.386 2.162 1.00 65.04 O ATOM 0 H ASP A 54 -10.072 19.819 3.181 1.00 43.25 H new ATOM 0 HA ASP A 54 -9.398 18.372 0.770 1.00 25.30 H new ATOM 0 HB2 ASP A 54 -9.839 20.382 -0.308 1.00 54.31 H new ATOM 0 HB3 ASP A 54 -10.862 20.525 1.108 1.00 54.31 H new ATOM 539 N ASP A 55 -7.096 19.667 2.585 1.00 74.21 N ATOM 540 CA ASP A 55 -5.658 19.857 2.737 1.00 64.43 C ATOM 541 C ASP A 55 -4.906 18.555 2.477 1.00 73.45 C ATOM 542 O ASP A 55 -4.860 17.671 3.332 1.00 55.34 O ATOM 543 CB ASP A 55 -5.336 20.374 4.140 1.00 14.55 C ATOM 544 CG ASP A 55 -5.704 21.834 4.317 1.00 65.11 C ATOM 545 OD1 ASP A 55 -4.875 22.701 3.973 1.00 43.45 O ATOM 546 OD2 ASP A 55 -6.823 22.109 4.802 1.00 74.22 O ATOM 0 H ASP A 55 -7.625 19.742 3.454 1.00 74.21 H new ATOM 0 HA ASP A 55 -5.335 20.595 2.003 1.00 64.43 H new ATOM 0 HB2 ASP A 55 -5.872 19.775 4.877 1.00 14.55 H new ATOM 0 HB3 ASP A 55 -4.272 20.244 4.337 1.00 14.55 H new ATOM 551 N VAL A 56 -4.319 18.445 1.289 1.00 2.04 N ATOM 552 CA VAL A 56 -3.570 17.251 0.915 1.00 33.13 C ATOM 553 C VAL A 56 -2.413 17.005 1.878 1.00 42.44 C ATOM 554 O VAL A 56 -1.901 15.890 1.978 1.00 53.32 O ATOM 555 CB VAL A 56 -3.017 17.362 -0.517 1.00 31.43 C ATOM 556 CG1 VAL A 56 -2.248 16.103 -0.892 1.00 14.15 C ATOM 557 CG2 VAL A 56 -4.144 17.621 -1.505 1.00 54.40 C ATOM 0 H VAL A 56 -4.348 19.168 0.570 1.00 2.04 H new ATOM 0 HA VAL A 56 -4.265 16.412 0.964 1.00 33.13 H new ATOM 0 HB VAL A 56 -2.328 18.206 -0.557 1.00 31.43 H new ATOM 0 HG11 VAL A 56 -1.865 16.200 -1.908 1.00 14.15 H new ATOM 0 HG12 VAL A 56 -1.416 15.966 -0.202 1.00 14.15 H new ATOM 0 HG13 VAL A 56 -2.912 15.241 -0.836 1.00 14.15 H new ATOM 0 HG21 VAL A 56 -3.735 17.697 -2.512 1.00 54.40 H new ATOM 0 HG22 VAL A 56 -4.859 16.799 -1.465 1.00 54.40 H new ATOM 0 HG23 VAL A 56 -4.647 18.553 -1.247 1.00 54.40 H new ATOM 567 N HIS A 57 -2.006 18.054 2.585 1.00 51.41 N ATOM 568 CA HIS A 57 -0.909 17.952 3.541 1.00 40.15 C ATOM 569 C HIS A 57 -1.436 17.661 4.943 1.00 32.12 C ATOM 570 O HIS A 57 -0.733 17.856 5.935 1.00 2.24 O ATOM 571 CB HIS A 57 -0.089 19.243 3.549 1.00 5.31 C ATOM 572 CG HIS A 57 0.967 19.287 2.489 1.00 63.24 C ATOM 573 ND1 HIS A 57 0.823 19.992 1.312 1.00 24.20 N ATOM 574 CD2 HIS A 57 2.190 18.711 2.432 1.00 24.11 C ATOM 575 CE1 HIS A 57 1.911 19.847 0.577 1.00 23.40 C ATOM 576 NE2 HIS A 57 2.757 19.074 1.234 1.00 2.32 N ATOM 0 H HIS A 57 -2.419 18.984 2.514 1.00 51.41 H new ATOM 0 HA HIS A 57 -0.268 17.126 3.234 1.00 40.15 H new ATOM 0 HB2 HIS A 57 -0.761 20.091 3.417 1.00 5.31 H new ATOM 0 HB3 HIS A 57 0.382 19.359 4.525 1.00 5.31 H new ATOM 0 HD2 HIS A 57 2.638 18.083 3.188 1.00 24.11 H new ATOM 0 HE1 HIS A 57 2.080 20.286 -0.395 1.00 23.40 H new ATOM 0 HE2 HIS A 57 3.681 18.792 0.906 1.00 2.32 H new ATOM 584 N PHE A 58 -2.678 17.196 5.019 1.00 2.54 N ATOM 585 CA PHE A 58 -3.300 16.879 6.299 1.00 32.34 C ATOM 586 C PHE A 58 -3.617 15.390 6.397 1.00 21.42 C ATOM 587 O PHE A 58 -3.740 14.841 7.493 1.00 1.22 O ATOM 588 CB PHE A 58 -4.580 17.699 6.484 1.00 44.13 C ATOM 589 CG PHE A 58 -4.551 18.590 7.692 1.00 63.33 C ATOM 590 CD1 PHE A 58 -3.668 19.655 7.763 1.00 34.41 C ATOM 591 CD2 PHE A 58 -5.409 18.363 8.758 1.00 41.43 C ATOM 592 CE1 PHE A 58 -3.640 20.477 8.873 1.00 33.51 C ATOM 593 CE2 PHE A 58 -5.385 19.182 9.870 1.00 24.23 C ATOM 594 CZ PHE A 58 -4.499 20.241 9.929 1.00 25.44 C ATOM 0 H PHE A 58 -3.274 17.030 4.208 1.00 2.54 H new ATOM 0 HA PHE A 58 -2.595 17.134 7.090 1.00 32.34 H new ATOM 0 HB2 PHE A 58 -4.742 18.310 5.596 1.00 44.13 H new ATOM 0 HB3 PHE A 58 -5.429 17.020 6.564 1.00 44.13 H new ATOM 0 HD1 PHE A 58 -2.994 19.845 6.941 1.00 34.41 H new ATOM 0 HD2 PHE A 58 -6.103 17.537 8.718 1.00 41.43 H new ATOM 0 HE1 PHE A 58 -2.947 21.304 8.915 1.00 33.51 H new ATOM 0 HE2 PHE A 58 -6.059 18.995 10.693 1.00 24.23 H new ATOM 0 HZ PHE A 58 -4.478 20.882 10.798 1.00 25.44 H new ATOM 604 N LEU A 59 -3.750 14.742 5.246 1.00 73.52 N ATOM 605 CA LEU A 59 -4.053 13.316 5.199 1.00 21.03 C ATOM 606 C LEU A 59 -3.080 12.525 6.069 1.00 4.40 C ATOM 607 O LEU A 59 -3.492 11.746 6.927 1.00 70.34 O ATOM 608 CB LEU A 59 -3.996 12.809 3.758 1.00 12.42 C ATOM 609 CG LEU A 59 -4.851 13.569 2.744 1.00 71.50 C ATOM 610 CD1 LEU A 59 -4.312 13.371 1.336 1.00 21.32 C ATOM 611 CD2 LEU A 59 -6.303 13.123 2.828 1.00 33.44 C ATOM 0 H LEU A 59 -3.653 15.182 4.331 1.00 73.52 H new ATOM 0 HA LEU A 59 -5.061 13.170 5.588 1.00 21.03 H new ATOM 0 HB2 LEU A 59 -2.959 12.840 3.424 1.00 12.42 H new ATOM 0 HB3 LEU A 59 -4.302 11.763 3.750 1.00 12.42 H new ATOM 0 HG LEU A 59 -4.804 14.631 2.983 1.00 71.50 H new ATOM 0 HD11 LEU A 59 -4.933 13.919 0.628 1.00 21.32 H new ATOM 0 HD12 LEU A 59 -3.288 13.741 1.283 1.00 21.32 H new ATOM 0 HD13 LEU A 59 -4.327 12.310 1.086 1.00 21.32 H new ATOM 0 HD21 LEU A 59 -6.896 13.675 2.099 1.00 33.44 H new ATOM 0 HD22 LEU A 59 -6.369 12.056 2.616 1.00 33.44 H new ATOM 0 HD23 LEU A 59 -6.686 13.318 3.830 1.00 33.44 H new ATOM 623 N GLY A 60 -1.787 12.732 5.841 1.00 54.22 N ATOM 624 CA GLY A 60 -0.777 12.033 6.612 1.00 72.21 C ATOM 625 C GLY A 60 -0.424 12.756 7.896 1.00 1.35 C ATOM 626 O GLY A 60 0.752 12.977 8.189 1.00 11.54 O ATOM 0 H GLY A 60 -1.421 13.372 5.136 1.00 54.22 H new ATOM 0 HA2 GLY A 60 -1.135 11.031 6.849 1.00 72.21 H new ATOM 0 HA3 GLY A 60 0.121 11.916 6.006 1.00 72.21 H new ATOM 630 N SER A 61 -1.443 13.129 8.664 1.00 4.14 N ATOM 631 CA SER A 61 -1.234 13.836 9.921 1.00 1.23 C ATOM 632 C SER A 61 -2.322 13.482 10.931 1.00 33.14 C ATOM 633 O SER A 61 -2.051 12.867 11.961 1.00 43.52 O ATOM 634 CB SER A 61 -1.216 15.348 9.683 1.00 13.14 C ATOM 635 OG SER A 61 -0.415 16.006 10.647 1.00 63.22 O ATOM 0 H SER A 61 -2.422 12.953 8.437 1.00 4.14 H new ATOM 0 HA SER A 61 -0.271 13.527 10.327 1.00 1.23 H new ATOM 0 HB2 SER A 61 -0.834 15.557 8.684 1.00 13.14 H new ATOM 0 HB3 SER A 61 -2.233 15.738 9.723 1.00 13.14 H new ATOM 0 HG SER A 61 -0.419 16.970 10.472 1.00 63.22 H new ATOM 641 N ASN A 62 -3.554 13.876 10.626 1.00 31.22 N ATOM 642 CA ASN A 62 -4.684 13.602 11.507 1.00 31.45 C ATOM 643 C ASN A 62 -4.882 12.100 11.685 1.00 73.55 C ATOM 644 O ASN A 62 -4.056 11.298 11.249 1.00 54.32 O ATOM 645 CB ASN A 62 -5.960 14.233 10.946 1.00 13.43 C ATOM 646 CG ASN A 62 -6.659 13.333 9.946 1.00 23.14 C ATOM 647 OD1 ASN A 62 -6.018 12.707 9.103 1.00 61.15 O ATOM 648 ND2 ASN A 62 -7.982 13.262 10.038 1.00 20.24 N ATOM 0 H ASN A 62 -3.795 14.386 9.776 1.00 31.22 H new ATOM 0 HA ASN A 62 -4.468 14.041 12.481 1.00 31.45 H new ATOM 0 HB2 ASN A 62 -6.642 14.458 11.766 1.00 13.43 H new ATOM 0 HB3 ASN A 62 -5.713 15.181 10.467 1.00 13.43 H new ATOM 0 HD21 ASN A 62 -8.507 12.671 9.394 1.00 20.24 H new ATOM 0 HD22 ASN A 62 -8.473 13.799 10.753 1.00 20.24 H new ATOM 655 N VAL A 63 -5.983 11.726 12.329 1.00 25.41 N ATOM 656 CA VAL A 63 -6.292 10.321 12.563 1.00 4.52 C ATOM 657 C VAL A 63 -6.402 9.555 11.249 1.00 61.11 C ATOM 658 O VAL A 63 -5.862 8.458 11.111 1.00 32.03 O ATOM 659 CB VAL A 63 -7.606 10.158 13.350 1.00 61.31 C ATOM 660 CG1 VAL A 63 -8.738 10.903 12.660 1.00 74.22 C ATOM 661 CG2 VAL A 63 -7.949 8.685 13.515 1.00 12.02 C ATOM 0 H VAL A 63 -6.676 12.377 12.698 1.00 25.41 H new ATOM 0 HA VAL A 63 -5.471 9.911 13.152 1.00 4.52 H new ATOM 0 HB VAL A 63 -7.471 10.589 14.342 1.00 61.31 H new ATOM 0 HG11 VAL A 63 -9.658 10.776 13.231 1.00 74.22 H new ATOM 0 HG12 VAL A 63 -8.492 11.963 12.599 1.00 74.22 H new ATOM 0 HG13 VAL A 63 -8.877 10.504 11.655 1.00 74.22 H new ATOM 0 HG21 VAL A 63 -8.880 8.589 14.073 1.00 12.02 H new ATOM 0 HG22 VAL A 63 -8.065 8.226 12.533 1.00 12.02 H new ATOM 0 HG23 VAL A 63 -7.147 8.183 14.057 1.00 12.02 H new ATOM 671 N MET A 64 -7.104 10.143 10.285 1.00 61.20 N ATOM 672 CA MET A 64 -7.283 9.516 8.981 1.00 3.10 C ATOM 673 C MET A 64 -7.687 8.053 9.130 1.00 70.24 C ATOM 674 O MET A 64 -7.010 7.159 8.625 1.00 33.41 O ATOM 675 CB MET A 64 -5.997 9.621 8.159 1.00 12.44 C ATOM 676 CG MET A 64 -6.186 9.292 6.688 1.00 21.14 C ATOM 677 SD MET A 64 -7.185 10.520 5.824 1.00 63.40 S ATOM 678 CE MET A 64 -7.880 9.525 4.507 1.00 12.42 C ATOM 0 H MET A 64 -7.557 11.051 10.383 1.00 61.20 H new ATOM 0 HA MET A 64 -8.082 10.043 8.460 1.00 3.10 H new ATOM 0 HB2 MET A 64 -5.600 10.632 8.248 1.00 12.44 H new ATOM 0 HB3 MET A 64 -5.251 8.948 8.580 1.00 12.44 H new ATOM 0 HG2 MET A 64 -5.210 9.220 6.208 1.00 21.14 H new ATOM 0 HG3 MET A 64 -6.659 8.314 6.596 1.00 21.14 H new ATOM 0 HE1 MET A 64 -8.703 10.065 4.039 1.00 12.42 H new ATOM 0 HE2 MET A 64 -7.111 9.319 3.762 1.00 12.42 H new ATOM 0 HE3 MET A 64 -8.249 8.585 4.917 1.00 12.42 H new ATOM 688 N GLU A 65 -8.793 7.818 9.829 1.00 11.45 N ATOM 689 CA GLU A 65 -9.285 6.462 10.046 1.00 22.43 C ATOM 690 C GLU A 65 -10.675 6.285 9.443 1.00 24.51 C ATOM 691 O GLU A 65 -11.303 7.252 9.011 1.00 55.23 O ATOM 692 CB GLU A 65 -9.321 6.142 11.541 1.00 74.14 C ATOM 693 CG GLU A 65 -9.195 4.660 11.850 1.00 45.31 C ATOM 694 CD GLU A 65 -8.255 4.381 13.006 1.00 75.44 C ATOM 695 OE1 GLU A 65 -7.043 4.215 12.760 1.00 62.30 O ATOM 696 OE2 GLU A 65 -8.733 4.332 14.159 1.00 64.44 O ATOM 0 H GLU A 65 -9.365 8.548 10.254 1.00 11.45 H new ATOM 0 HA GLU A 65 -8.602 5.772 9.551 1.00 22.43 H new ATOM 0 HB2 GLU A 65 -8.513 6.678 12.038 1.00 74.14 H new ATOM 0 HB3 GLU A 65 -10.256 6.514 11.961 1.00 74.14 H new ATOM 0 HG2 GLU A 65 -10.180 4.257 12.083 1.00 45.31 H new ATOM 0 HG3 GLU A 65 -8.838 4.137 10.963 1.00 45.31 H new ATOM 703 N GLU A 66 -11.149 5.043 9.418 1.00 13.11 N ATOM 704 CA GLU A 66 -12.464 4.739 8.866 1.00 23.52 C ATOM 705 C GLU A 66 -13.527 5.668 9.449 1.00 74.04 C ATOM 706 O GLU A 66 -14.477 6.047 8.765 1.00 23.44 O ATOM 707 CB GLU A 66 -12.836 3.282 9.147 1.00 2.44 C ATOM 708 CG GLU A 66 -12.612 2.865 10.591 1.00 3.43 C ATOM 709 CD GLU A 66 -13.077 1.448 10.868 1.00 41.24 C ATOM 710 OE1 GLU A 66 -12.339 0.503 10.520 1.00 43.30 O ATOM 711 OE2 GLU A 66 -14.180 1.284 11.433 1.00 4.50 O ATOM 0 H GLU A 66 -10.642 4.232 9.773 1.00 13.11 H new ATOM 0 HA GLU A 66 -12.421 4.894 7.788 1.00 23.52 H new ATOM 0 HB2 GLU A 66 -13.884 3.128 8.891 1.00 2.44 H new ATOM 0 HB3 GLU A 66 -12.250 2.634 8.495 1.00 2.44 H new ATOM 0 HG2 GLU A 66 -11.552 2.948 10.829 1.00 3.43 H new ATOM 0 HG3 GLU A 66 -13.142 3.553 11.250 1.00 3.43 H new ATOM 718 N GLN A 67 -13.357 6.028 10.717 1.00 72.24 N ATOM 719 CA GLN A 67 -14.301 6.910 11.393 1.00 45.32 C ATOM 720 C GLN A 67 -14.334 8.282 10.729 1.00 64.44 C ATOM 721 O GLN A 67 -15.404 8.856 10.520 1.00 22.22 O ATOM 722 CB GLN A 67 -13.931 7.052 12.870 1.00 34.34 C ATOM 723 CG GLN A 67 -15.056 7.609 13.728 1.00 20.25 C ATOM 724 CD GLN A 67 -15.426 6.689 14.875 1.00 13.13 C ATOM 725 OE1 GLN A 67 -15.014 6.903 16.016 1.00 43.45 O ATOM 726 NE2 GLN A 67 -16.207 5.657 14.578 1.00 40.24 N ATOM 0 H GLN A 67 -12.575 5.723 11.297 1.00 72.24 H new ATOM 0 HA GLN A 67 -15.294 6.466 11.317 1.00 45.32 H new ATOM 0 HB2 GLN A 67 -13.638 6.076 13.258 1.00 34.34 H new ATOM 0 HB3 GLN A 67 -13.062 7.704 12.957 1.00 34.34 H new ATOM 0 HG2 GLN A 67 -14.758 8.579 14.127 1.00 20.25 H new ATOM 0 HG3 GLN A 67 -15.934 7.777 13.105 1.00 20.25 H new ATOM 0 HE21 GLN A 67 -16.525 5.518 13.619 1.00 40.24 H new ATOM 0 HE22 GLN A 67 -16.489 5.004 15.309 1.00 40.24 H new ATOM 735 N ASP A 68 -13.157 8.804 10.402 1.00 4.04 N ATOM 736 CA ASP A 68 -13.051 10.109 9.762 1.00 33.33 C ATOM 737 C ASP A 68 -13.715 10.096 8.388 1.00 4.50 C ATOM 738 O ASP A 68 -14.462 11.012 8.039 1.00 73.34 O ATOM 739 CB ASP A 68 -11.582 10.517 9.628 1.00 2.30 C ATOM 740 CG ASP A 68 -11.355 11.978 9.967 1.00 73.53 C ATOM 741 OD1 ASP A 68 -12.095 12.832 9.438 1.00 64.33 O ATOM 742 OD2 ASP A 68 -10.435 12.265 10.763 1.00 32.30 O ATOM 0 H ASP A 68 -12.263 8.343 10.570 1.00 4.04 H new ATOM 0 HA ASP A 68 -13.567 10.837 10.388 1.00 33.33 H new ATOM 0 HB2 ASP A 68 -10.974 9.895 10.285 1.00 2.30 H new ATOM 0 HB3 ASP A 68 -11.246 10.327 8.609 1.00 2.30 H new ATOM 747 N LEU A 69 -13.436 9.055 7.612 1.00 54.14 N ATOM 748 CA LEU A 69 -14.006 8.923 6.275 1.00 21.05 C ATOM 749 C LEU A 69 -15.494 8.602 6.346 1.00 72.33 C ATOM 750 O LEU A 69 -16.253 8.914 5.428 1.00 32.02 O ATOM 751 CB LEU A 69 -13.274 7.832 5.493 1.00 63.04 C ATOM 752 CG LEU A 69 -11.767 7.728 5.734 1.00 52.11 C ATOM 753 CD1 LEU A 69 -11.143 6.714 4.788 1.00 43.12 C ATOM 754 CD2 LEU A 69 -11.106 9.090 5.572 1.00 20.54 C ATOM 0 H LEU A 69 -12.819 8.290 7.885 1.00 54.14 H new ATOM 0 HA LEU A 69 -13.884 9.876 5.759 1.00 21.05 H new ATOM 0 HB2 LEU A 69 -13.728 6.872 5.737 1.00 63.04 H new ATOM 0 HB3 LEU A 69 -13.441 8.002 4.429 1.00 63.04 H new ATOM 0 HG LEU A 69 -11.605 7.387 6.756 1.00 52.11 H new ATOM 0 HD11 LEU A 69 -10.071 6.654 4.975 1.00 43.12 H new ATOM 0 HD12 LEU A 69 -11.595 5.736 4.953 1.00 43.12 H new ATOM 0 HD13 LEU A 69 -11.315 7.024 3.757 1.00 43.12 H new ATOM 0 HD21 LEU A 69 -10.034 8.997 5.747 1.00 20.54 H new ATOM 0 HD22 LEU A 69 -11.278 9.460 4.561 1.00 20.54 H new ATOM 0 HD23 LEU A 69 -11.532 9.789 6.292 1.00 20.54 H new ATOM 766 N ARG A 70 -15.907 7.977 7.445 1.00 23.24 N ATOM 767 CA ARG A 70 -17.306 7.614 7.637 1.00 72.12 C ATOM 768 C ARG A 70 -18.139 8.836 8.015 1.00 55.23 C ATOM 769 O ARG A 70 -19.272 8.992 7.562 1.00 53.31 O ATOM 770 CB ARG A 70 -17.433 6.542 8.721 1.00 3.23 C ATOM 771 CG ARG A 70 -18.828 5.949 8.831 1.00 42.20 C ATOM 772 CD ARG A 70 -18.780 4.436 8.976 1.00 62.45 C ATOM 773 NE ARG A 70 -19.867 3.782 8.250 1.00 4.14 N ATOM 774 CZ ARG A 70 -20.045 2.466 8.225 1.00 70.41 C ATOM 775 NH1 ARG A 70 -19.214 1.668 8.881 1.00 24.21 N ATOM 776 NH2 ARG A 70 -21.057 1.947 7.543 1.00 34.32 N ATOM 0 H ARG A 70 -15.293 7.712 8.215 1.00 23.24 H new ATOM 0 HA ARG A 70 -17.684 7.216 6.695 1.00 72.12 H new ATOM 0 HB2 ARG A 70 -16.723 5.742 8.514 1.00 3.23 H new ATOM 0 HB3 ARG A 70 -17.154 6.974 9.682 1.00 3.23 H new ATOM 0 HG2 ARG A 70 -19.342 6.382 9.689 1.00 42.20 H new ATOM 0 HG3 ARG A 70 -19.408 6.213 7.946 1.00 42.20 H new ATOM 0 HD2 ARG A 70 -17.823 4.067 8.607 1.00 62.45 H new ATOM 0 HD3 ARG A 70 -18.838 4.171 10.032 1.00 62.45 H new ATOM 0 HE ARG A 70 -20.524 4.368 7.735 1.00 4.14 H new ATOM 0 HH11 ARG A 70 -18.435 2.064 9.407 1.00 24.21 H new ATOM 0 HH12 ARG A 70 -19.354 0.658 8.860 1.00 24.21 H new ATOM 0 HH21 ARG A 70 -21.698 2.558 7.038 1.00 34.32 H new ATOM 0 HH22 ARG A 70 -21.194 0.936 7.524 1.00 34.32 H new ATOM 790 N ASP A 71 -17.568 9.699 8.848 1.00 53.33 N ATOM 791 CA ASP A 71 -18.256 10.908 9.287 1.00 60.01 C ATOM 792 C ASP A 71 -18.514 11.843 8.110 1.00 72.41 C ATOM 793 O ASP A 71 -19.553 12.502 8.045 1.00 71.35 O ATOM 794 CB ASP A 71 -17.433 11.629 10.356 1.00 14.22 C ATOM 795 CG ASP A 71 -18.167 12.817 10.948 1.00 62.44 C ATOM 796 OD1 ASP A 71 -19.400 12.725 11.120 1.00 72.31 O ATOM 797 OD2 ASP A 71 -17.508 13.837 11.238 1.00 31.13 O ATOM 0 H ASP A 71 -16.630 9.584 9.233 1.00 53.33 H new ATOM 0 HA ASP A 71 -19.216 10.616 9.714 1.00 60.01 H new ATOM 0 HB2 ASP A 71 -17.182 10.928 11.152 1.00 14.22 H new ATOM 0 HB3 ASP A 71 -16.493 11.967 9.920 1.00 14.22 H new ATOM 802 N ILE A 72 -17.564 11.897 7.183 1.00 1.12 N ATOM 803 CA ILE A 72 -17.690 12.752 6.010 1.00 75.31 C ATOM 804 C ILE A 72 -18.670 12.161 5.001 1.00 44.42 C ATOM 805 O ILE A 72 -19.199 12.868 4.146 1.00 12.52 O ATOM 806 CB ILE A 72 -16.329 12.967 5.321 1.00 24.03 C ATOM 807 CG1 ILE A 72 -15.742 11.626 4.873 1.00 55.23 C ATOM 808 CG2 ILE A 72 -15.369 13.684 6.258 1.00 63.04 C ATOM 809 CD1 ILE A 72 -14.501 11.765 4.020 1.00 0.34 C ATOM 0 H ILE A 72 -16.699 11.359 7.222 1.00 1.12 H new ATOM 0 HA ILE A 72 -18.067 13.713 6.359 1.00 75.31 H new ATOM 0 HB ILE A 72 -16.479 13.590 4.439 1.00 24.03 H new ATOM 0 HG12 ILE A 72 -15.503 11.031 5.754 1.00 55.23 H new ATOM 0 HG13 ILE A 72 -16.498 11.076 4.313 1.00 55.23 H new ATOM 0 HG21 ILE A 72 -14.412 13.829 5.757 1.00 63.04 H new ATOM 0 HG22 ILE A 72 -15.785 14.653 6.533 1.00 63.04 H new ATOM 0 HG23 ILE A 72 -15.221 13.084 7.156 1.00 63.04 H new ATOM 0 HD11 ILE A 72 -14.140 10.776 3.739 1.00 0.34 H new ATOM 0 HD12 ILE A 72 -14.739 12.333 3.121 1.00 0.34 H new ATOM 0 HD13 ILE A 72 -13.728 12.287 4.584 1.00 0.34 H new ATOM 821 N GLY A 73 -18.906 10.856 5.109 1.00 1.12 N ATOM 822 CA GLY A 73 -19.823 10.191 4.202 1.00 1.33 C ATOM 823 C GLY A 73 -19.279 8.872 3.692 1.00 11.10 C ATOM 824 O GLY A 73 -20.020 7.896 3.563 1.00 73.00 O ATOM 0 H GLY A 73 -18.479 10.249 5.808 1.00 1.12 H new ATOM 0 HA2 GLY A 73 -20.771 10.017 4.711 1.00 1.33 H new ATOM 0 HA3 GLY A 73 -20.031 10.846 3.356 1.00 1.33 H new ATOM 828 N ILE A 74 -17.983 8.840 3.400 1.00 51.04 N ATOM 829 CA ILE A 74 -17.343 7.630 2.901 1.00 31.22 C ATOM 830 C ILE A 74 -17.461 6.490 3.907 1.00 75.21 C ATOM 831 O ILE A 74 -16.662 6.385 4.837 1.00 30.33 O ATOM 832 CB ILE A 74 -15.854 7.871 2.587 1.00 44.54 C ATOM 833 CG1 ILE A 74 -15.694 9.072 1.652 1.00 61.11 C ATOM 834 CG2 ILE A 74 -15.235 6.626 1.969 1.00 22.03 C ATOM 835 CD1 ILE A 74 -14.253 9.439 1.381 1.00 70.13 C ATOM 0 H ILE A 74 -17.356 9.638 3.501 1.00 51.04 H new ATOM 0 HA ILE A 74 -17.861 7.355 1.982 1.00 31.22 H new ATOM 0 HB ILE A 74 -15.332 8.089 3.519 1.00 44.54 H new ATOM 0 HG12 ILE A 74 -16.189 8.854 0.706 1.00 61.11 H new ATOM 0 HG13 ILE A 74 -16.204 9.932 2.087 1.00 61.11 H new ATOM 0 HG21 ILE A 74 -14.183 6.812 1.753 1.00 22.03 H new ATOM 0 HG22 ILE A 74 -15.320 5.793 2.666 1.00 22.03 H new ATOM 0 HG23 ILE A 74 -15.758 6.380 1.044 1.00 22.03 H new ATOM 0 HD11 ILE A 74 -14.216 10.298 0.711 1.00 70.13 H new ATOM 0 HD12 ILE A 74 -13.759 9.689 2.320 1.00 70.13 H new ATOM 0 HD13 ILE A 74 -13.744 8.595 0.916 1.00 70.13 H new ATOM 847 N SER A 75 -18.463 5.639 3.713 1.00 25.45 N ATOM 848 CA SER A 75 -18.687 4.507 4.604 1.00 13.40 C ATOM 849 C SER A 75 -18.447 3.187 3.877 1.00 74.40 C ATOM 850 O SER A 75 -18.464 2.118 4.488 1.00 20.24 O ATOM 851 CB SER A 75 -20.111 4.544 5.161 1.00 21.25 C ATOM 852 OG SER A 75 -21.066 4.616 4.115 1.00 33.10 O ATOM 0 H SER A 75 -19.132 5.712 2.947 1.00 25.45 H new ATOM 0 HA SER A 75 -17.979 4.580 5.430 1.00 13.40 H new ATOM 0 HB2 SER A 75 -20.293 3.654 5.763 1.00 21.25 H new ATOM 0 HB3 SER A 75 -20.224 5.404 5.821 1.00 21.25 H new ATOM 0 HG SER A 75 -21.968 4.637 4.497 1.00 33.10 H new ATOM 858 N ASP A 76 -18.224 3.271 2.571 1.00 53.52 N ATOM 859 CA ASP A 76 -17.979 2.084 1.759 1.00 32.34 C ATOM 860 C ASP A 76 -16.574 1.540 2.003 1.00 34.05 C ATOM 861 O ASP A 76 -15.644 2.278 2.328 1.00 20.20 O ATOM 862 CB ASP A 76 -18.164 2.407 0.276 1.00 33.23 C ATOM 863 CG ASP A 76 -19.473 1.874 -0.274 1.00 62.33 C ATOM 864 OD1 ASP A 76 -20.484 1.915 0.457 1.00 10.22 O ATOM 865 OD2 ASP A 76 -19.485 1.417 -1.436 1.00 35.40 O ATOM 0 H ASP A 76 -18.208 4.148 2.051 1.00 53.52 H new ATOM 0 HA ASP A 76 -18.701 1.320 2.049 1.00 32.34 H new ATOM 0 HB2 ASP A 76 -18.127 3.487 0.135 1.00 33.23 H new ATOM 0 HB3 ASP A 76 -17.335 1.983 -0.291 1.00 33.23 H new ATOM 870 N PRO A 77 -16.417 0.217 1.843 1.00 11.41 N ATOM 871 CA PRO A 77 -15.129 -0.455 2.041 1.00 74.34 C ATOM 872 C PRO A 77 -14.119 -0.105 0.954 1.00 3.05 C ATOM 873 O PRO A 77 -12.963 0.200 1.245 1.00 54.31 O ATOM 874 CB PRO A 77 -15.493 -1.941 1.975 1.00 62.34 C ATOM 875 CG PRO A 77 -16.734 -1.991 1.155 1.00 3.44 C ATOM 876 CD PRO A 77 -17.482 -0.723 1.458 1.00 12.32 C ATOM 0 HA PRO A 77 -14.653 -0.159 2.976 1.00 74.34 H new ATOM 0 HB2 PRO A 77 -14.693 -2.524 1.519 1.00 62.34 H new ATOM 0 HB3 PRO A 77 -15.660 -2.352 2.971 1.00 62.34 H new ATOM 0 HG2 PRO A 77 -16.498 -2.060 0.093 1.00 3.44 H new ATOM 0 HG3 PRO A 77 -17.333 -2.867 1.406 1.00 3.44 H new ATOM 0 HD2 PRO A 77 -18.038 -0.367 0.590 1.00 12.32 H new ATOM 0 HD3 PRO A 77 -18.203 -0.864 2.263 1.00 12.32 H new ATOM 884 N GLN A 78 -14.564 -0.150 -0.297 1.00 22.03 N ATOM 885 CA GLN A 78 -13.696 0.164 -1.427 1.00 20.20 C ATOM 886 C GLN A 78 -13.383 1.655 -1.475 1.00 31.22 C ATOM 887 O GLN A 78 -12.501 2.091 -2.217 1.00 34.23 O ATOM 888 CB GLN A 78 -14.354 -0.274 -2.738 1.00 23.11 C ATOM 889 CG GLN A 78 -14.789 -1.730 -2.743 1.00 52.33 C ATOM 890 CD GLN A 78 -15.340 -2.170 -4.085 1.00 11.41 C ATOM 891 OE1 GLN A 78 -16.309 -1.600 -4.588 1.00 41.05 O ATOM 892 NE2 GLN A 78 -14.723 -3.188 -4.674 1.00 41.45 N ATOM 0 H GLN A 78 -15.519 -0.400 -0.554 1.00 22.03 H new ATOM 0 HA GLN A 78 -12.761 -0.380 -1.298 1.00 20.20 H new ATOM 0 HB2 GLN A 78 -15.223 0.357 -2.927 1.00 23.11 H new ATOM 0 HB3 GLN A 78 -13.655 -0.109 -3.558 1.00 23.11 H new ATOM 0 HG2 GLN A 78 -13.939 -2.360 -2.479 1.00 52.33 H new ATOM 0 HG3 GLN A 78 -15.548 -1.881 -1.976 1.00 52.33 H new ATOM 0 HE21 GLN A 78 -13.924 -3.631 -4.221 1.00 41.45 H new ATOM 0 HE22 GLN A 78 -15.049 -3.527 -5.579 1.00 41.45 H new ATOM 901 N HIS A 79 -14.109 2.434 -0.680 1.00 40.31 N ATOM 902 CA HIS A 79 -13.908 3.878 -0.632 1.00 53.12 C ATOM 903 C HIS A 79 -13.076 4.271 0.586 1.00 14.42 C ATOM 904 O HIS A 79 -12.305 5.228 0.539 1.00 71.44 O ATOM 905 CB HIS A 79 -15.255 4.601 -0.599 1.00 4.55 C ATOM 906 CG HIS A 79 -16.047 4.451 -1.862 1.00 33.05 C ATOM 907 ND1 HIS A 79 -17.238 5.107 -2.086 1.00 23.33 N ATOM 908 CD2 HIS A 79 -15.810 3.715 -2.973 1.00 44.31 C ATOM 909 CE1 HIS A 79 -17.702 4.781 -3.279 1.00 34.04 C ATOM 910 NE2 HIS A 79 -16.852 3.937 -3.838 1.00 70.41 N ATOM 0 H HIS A 79 -14.842 2.090 -0.060 1.00 40.31 H new ATOM 0 HA HIS A 79 -13.367 4.175 -1.531 1.00 53.12 H new ATOM 0 HB2 HIS A 79 -15.843 4.219 0.236 1.00 4.55 H new ATOM 0 HB3 HIS A 79 -15.085 5.661 -0.411 1.00 4.55 H new ATOM 0 HD2 HIS A 79 -14.959 3.073 -3.146 1.00 44.31 H new ATOM 0 HE1 HIS A 79 -18.619 5.142 -3.722 1.00 34.04 H new ATOM 0 HE2 HIS A 79 -16.954 3.518 -4.763 1.00 70.41 H new ATOM 918 N ARG A 80 -13.241 3.525 1.673 1.00 4.22 N ATOM 919 CA ARG A 80 -12.507 3.796 2.904 1.00 30.13 C ATOM 920 C ARG A 80 -11.079 3.265 2.814 1.00 13.34 C ATOM 921 O ARG A 80 -10.134 3.920 3.254 1.00 23.11 O ATOM 922 CB ARG A 80 -13.222 3.165 4.099 1.00 5.54 C ATOM 923 CG ARG A 80 -13.982 4.167 4.953 1.00 32.10 C ATOM 924 CD ARG A 80 -14.402 3.560 6.282 1.00 61.34 C ATOM 925 NE ARG A 80 -15.542 2.658 6.136 1.00 63.42 N ATOM 926 CZ ARG A 80 -15.422 1.356 5.901 1.00 71.04 C ATOM 927 NH1 ARG A 80 -14.220 0.808 5.786 1.00 64.32 N ATOM 928 NH2 ARG A 80 -16.506 0.600 5.781 1.00 51.11 N ATOM 0 H ARG A 80 -13.876 2.729 1.727 1.00 4.22 H new ATOM 0 HA ARG A 80 -12.467 4.876 3.042 1.00 30.13 H new ATOM 0 HB2 ARG A 80 -13.917 2.408 3.737 1.00 5.54 H new ATOM 0 HB3 ARG A 80 -12.488 2.653 4.721 1.00 5.54 H new ATOM 0 HG2 ARG A 80 -13.357 5.042 5.133 1.00 32.10 H new ATOM 0 HG3 ARG A 80 -14.865 4.511 4.414 1.00 32.10 H new ATOM 0 HD2 ARG A 80 -13.562 3.016 6.713 1.00 61.34 H new ATOM 0 HD3 ARG A 80 -14.658 4.357 6.980 1.00 61.34 H new ATOM 0 HE ARG A 80 -16.480 3.049 6.219 1.00 63.42 H new ATOM 0 HH11 ARG A 80 -13.385 1.386 5.878 1.00 64.32 H new ATOM 0 HH12 ARG A 80 -14.131 -0.192 5.606 1.00 64.32 H new ATOM 0 HH21 ARG A 80 -17.432 1.019 5.869 1.00 51.11 H new ATOM 0 HH22 ARG A 80 -16.413 -0.400 5.601 1.00 51.11 H new ATOM 942 N ARG A 81 -10.931 2.075 2.241 1.00 52.33 N ATOM 943 CA ARG A 81 -9.620 1.456 2.094 1.00 13.14 C ATOM 944 C ARG A 81 -8.773 2.208 1.072 1.00 31.35 C ATOM 945 O ARG A 81 -7.558 2.333 1.227 1.00 21.33 O ATOM 946 CB ARG A 81 -9.767 -0.007 1.671 1.00 64.45 C ATOM 947 CG ARG A 81 -8.667 -0.910 2.205 1.00 51.20 C ATOM 948 CD ARG A 81 -8.950 -1.347 3.634 1.00 20.30 C ATOM 949 NE ARG A 81 -7.875 -2.175 4.176 1.00 44.34 N ATOM 950 CZ ARG A 81 -7.923 -2.752 5.372 1.00 62.31 C ATOM 951 NH1 ARG A 81 -8.988 -2.591 6.146 1.00 63.52 N ATOM 952 NH2 ARG A 81 -6.906 -3.491 5.795 1.00 72.44 N ATOM 0 H ARG A 81 -11.703 1.521 1.871 1.00 52.33 H new ATOM 0 HA ARG A 81 -9.117 1.500 3.060 1.00 13.14 H new ATOM 0 HB2 ARG A 81 -10.731 -0.381 2.016 1.00 64.45 H new ATOM 0 HB3 ARG A 81 -9.774 -0.062 0.582 1.00 64.45 H new ATOM 0 HG2 ARG A 81 -8.574 -1.788 1.566 1.00 51.20 H new ATOM 0 HG3 ARG A 81 -7.713 -0.385 2.166 1.00 51.20 H new ATOM 0 HD2 ARG A 81 -9.082 -0.467 4.263 1.00 20.30 H new ATOM 0 HD3 ARG A 81 -9.887 -1.904 3.664 1.00 20.30 H new ATOM 0 HE ARG A 81 -7.042 -2.318 3.605 1.00 44.34 H new ATOM 0 HH11 ARG A 81 -9.772 -2.024 5.823 1.00 63.52 H new ATOM 0 HH12 ARG A 81 -9.023 -3.035 7.064 1.00 63.52 H new ATOM 0 HH21 ARG A 81 -6.086 -3.617 5.202 1.00 72.44 H new ATOM 0 HH22 ARG A 81 -6.944 -3.933 6.713 1.00 72.44 H new ATOM 966 N LYS A 82 -9.423 2.710 0.028 1.00 13.53 N ATOM 967 CA LYS A 82 -8.733 3.452 -1.020 1.00 64.41 C ATOM 968 C LYS A 82 -8.197 4.776 -0.487 1.00 20.04 C ATOM 969 O LYS A 82 -7.036 5.123 -0.709 1.00 33.00 O ATOM 970 CB LYS A 82 -9.676 3.709 -2.198 1.00 4.21 C ATOM 971 CG LYS A 82 -8.959 3.864 -3.528 1.00 41.51 C ATOM 972 CD LYS A 82 -9.562 2.965 -4.595 1.00 45.43 C ATOM 973 CE LYS A 82 -8.684 2.903 -5.835 1.00 33.41 C ATOM 974 NZ LYS A 82 -7.872 1.655 -5.878 1.00 53.50 N ATOM 0 H LYS A 82 -10.429 2.616 -0.115 1.00 13.53 H new ATOM 0 HA LYS A 82 -7.891 2.850 -1.361 1.00 64.41 H new ATOM 0 HB2 LYS A 82 -10.386 2.885 -2.271 1.00 4.21 H new ATOM 0 HB3 LYS A 82 -10.255 4.611 -1.999 1.00 4.21 H new ATOM 0 HG2 LYS A 82 -9.014 4.903 -3.853 1.00 41.51 H new ATOM 0 HG3 LYS A 82 -7.903 3.624 -3.403 1.00 41.51 H new ATOM 0 HD2 LYS A 82 -9.696 1.961 -4.193 1.00 45.43 H new ATOM 0 HD3 LYS A 82 -10.551 3.334 -4.867 1.00 45.43 H new ATOM 0 HE2 LYS A 82 -9.309 2.960 -6.726 1.00 33.41 H new ATOM 0 HE3 LYS A 82 -8.021 3.768 -5.854 1.00 33.41 H new ATOM 0 HZ1 LYS A 82 -7.287 1.651 -6.738 1.00 53.50 H new ATOM 0 HZ2 LYS A 82 -7.257 1.612 -5.041 1.00 53.50 H new ATOM 0 HZ3 LYS A 82 -8.504 0.829 -5.885 1.00 53.50 H new ATOM 988 N LEU A 83 -9.048 5.512 0.220 1.00 25.51 N ATOM 989 CA LEU A 83 -8.659 6.798 0.788 1.00 70.13 C ATOM 990 C LEU A 83 -7.577 6.621 1.847 1.00 75.12 C ATOM 991 O LEU A 83 -6.767 7.519 2.079 1.00 34.51 O ATOM 992 CB LEU A 83 -9.876 7.498 1.396 1.00 44.33 C ATOM 993 CG LEU A 83 -10.041 8.978 1.051 1.00 35.54 C ATOM 994 CD1 LEU A 83 -10.448 9.145 -0.405 1.00 35.52 C ATOM 995 CD2 LEU A 83 -11.065 9.629 1.970 1.00 61.21 C ATOM 0 H LEU A 83 -10.012 5.240 0.413 1.00 25.51 H new ATOM 0 HA LEU A 83 -8.256 7.415 -0.015 1.00 70.13 H new ATOM 0 HB2 LEU A 83 -10.773 6.968 1.074 1.00 44.33 H new ATOM 0 HB3 LEU A 83 -9.821 7.402 2.480 1.00 44.33 H new ATOM 0 HG LEU A 83 -9.082 9.474 1.198 1.00 35.54 H new ATOM 0 HD11 LEU A 83 -10.561 10.205 -0.632 1.00 35.52 H new ATOM 0 HD12 LEU A 83 -9.680 8.716 -1.049 1.00 35.52 H new ATOM 0 HD13 LEU A 83 -11.395 8.634 -0.579 1.00 35.52 H new ATOM 0 HD21 LEU A 83 -11.170 10.682 1.710 1.00 61.21 H new ATOM 0 HD22 LEU A 83 -12.027 9.130 1.855 1.00 61.21 H new ATOM 0 HD23 LEU A 83 -10.733 9.542 3.004 1.00 61.21 H new ATOM 1007 N LEU A 84 -7.567 5.456 2.486 1.00 52.43 N ATOM 1008 CA LEU A 84 -6.582 5.160 3.520 1.00 3.44 C ATOM 1009 C LEU A 84 -5.261 4.711 2.902 1.00 72.44 C ATOM 1010 O LEU A 84 -4.190 4.964 3.453 1.00 40.35 O ATOM 1011 CB LEU A 84 -7.112 4.076 4.460 1.00 62.31 C ATOM 1012 CG LEU A 84 -7.481 4.534 5.872 1.00 2.22 C ATOM 1013 CD1 LEU A 84 -8.273 5.830 5.823 1.00 61.53 C ATOM 1014 CD2 LEU A 84 -8.270 3.451 6.595 1.00 42.04 C ATOM 0 H LEU A 84 -8.230 4.702 2.306 1.00 52.43 H new ATOM 0 HA LEU A 84 -6.404 6.072 4.089 1.00 3.44 H new ATOM 0 HB2 LEU A 84 -7.994 3.626 4.003 1.00 62.31 H new ATOM 0 HB3 LEU A 84 -6.359 3.292 4.539 1.00 62.31 H new ATOM 0 HG LEU A 84 -6.560 4.716 6.426 1.00 2.22 H new ATOM 0 HD11 LEU A 84 -8.526 6.140 6.837 1.00 61.53 H new ATOM 0 HD12 LEU A 84 -7.673 6.605 5.346 1.00 61.53 H new ATOM 0 HD13 LEU A 84 -9.188 5.676 5.251 1.00 61.53 H new ATOM 0 HD21 LEU A 84 -8.524 3.794 7.598 1.00 42.04 H new ATOM 0 HD22 LEU A 84 -9.185 3.237 6.042 1.00 42.04 H new ATOM 0 HD23 LEU A 84 -7.667 2.546 6.663 1.00 42.04 H new ATOM 1026 N GLN A 85 -5.347 4.047 1.754 1.00 74.24 N ATOM 1027 CA GLN A 85 -4.158 3.565 1.061 1.00 44.01 C ATOM 1028 C GLN A 85 -3.496 4.688 0.270 1.00 32.52 C ATOM 1029 O GLN A 85 -2.271 4.764 0.188 1.00 55.32 O ATOM 1030 CB GLN A 85 -4.521 2.410 0.124 1.00 61.43 C ATOM 1031 CG GLN A 85 -3.433 1.355 0.010 1.00 71.24 C ATOM 1032 CD GLN A 85 -3.986 -0.023 -0.294 1.00 43.33 C ATOM 1033 OE1 GLN A 85 -4.288 -0.798 0.614 1.00 34.44 O ATOM 1034 NE2 GLN A 85 -4.122 -0.337 -1.577 1.00 23.34 N ATOM 0 H GLN A 85 -6.226 3.831 1.285 1.00 74.24 H new ATOM 0 HA GLN A 85 -3.451 3.208 1.810 1.00 44.01 H new ATOM 0 HB2 GLN A 85 -5.437 1.938 0.480 1.00 61.43 H new ATOM 0 HB3 GLN A 85 -4.733 2.810 -0.867 1.00 61.43 H new ATOM 0 HG2 GLN A 85 -2.734 1.643 -0.775 1.00 71.24 H new ATOM 0 HG3 GLN A 85 -2.869 1.318 0.942 1.00 71.24 H new ATOM 0 HE21 GLN A 85 -3.859 0.336 -2.297 1.00 23.34 H new ATOM 0 HE22 GLN A 85 -4.489 -1.251 -1.842 1.00 23.34 H new ATOM 1043 N ALA A 86 -4.316 5.558 -0.311 1.00 13.42 N ATOM 1044 CA ALA A 86 -3.810 6.678 -1.094 1.00 23.11 C ATOM 1045 C ALA A 86 -3.324 7.806 -0.190 1.00 41.35 C ATOM 1046 O ALA A 86 -2.560 8.671 -0.615 1.00 54.52 O ATOM 1047 CB ALA A 86 -4.885 7.187 -2.044 1.00 11.45 C ATOM 0 H ALA A 86 -5.333 5.508 -0.254 1.00 13.42 H new ATOM 0 HA ALA A 86 -2.961 6.325 -1.679 1.00 23.11 H new ATOM 0 HB1 ALA A 86 -4.493 8.024 -2.622 1.00 11.45 H new ATOM 0 HB2 ALA A 86 -5.182 6.386 -2.721 1.00 11.45 H new ATOM 0 HB3 ALA A 86 -5.751 7.517 -1.470 1.00 11.45 H new ATOM 1053 N ALA A 87 -3.774 7.791 1.060 1.00 50.32 N ATOM 1054 CA ALA A 87 -3.384 8.811 2.025 1.00 1.44 C ATOM 1055 C ALA A 87 -2.081 8.438 2.723 1.00 72.32 C ATOM 1056 O ALA A 87 -1.214 9.286 2.934 1.00 20.43 O ATOM 1057 CB ALA A 87 -4.491 9.020 3.049 1.00 23.42 C ATOM 0 H ALA A 87 -4.409 7.083 1.428 1.00 50.32 H new ATOM 0 HA ALA A 87 -3.222 9.743 1.484 1.00 1.44 H new ATOM 0 HB1 ALA A 87 -4.186 9.785 3.764 1.00 23.42 H new ATOM 0 HB2 ALA A 87 -5.401 9.340 2.541 1.00 23.42 H new ATOM 0 HB3 ALA A 87 -4.680 8.085 3.577 1.00 23.42 H new ATOM 1063 N ARG A 88 -1.948 7.164 3.078 1.00 40.04 N ATOM 1064 CA ARG A 88 -0.751 6.679 3.754 1.00 15.24 C ATOM 1065 C ARG A 88 0.409 6.544 2.772 1.00 1.23 C ATOM 1066 O ARG A 88 1.574 6.533 3.169 1.00 31.43 O ATOM 1067 CB ARG A 88 -1.027 5.331 4.422 1.00 34.33 C ATOM 1068 CG ARG A 88 -1.142 4.177 3.441 1.00 20.20 C ATOM 1069 CD ARG A 88 -1.763 2.951 4.093 1.00 33.11 C ATOM 1070 NE ARG A 88 -1.452 1.725 3.363 1.00 14.11 N ATOM 1071 CZ ARG A 88 -1.733 0.509 3.815 1.00 23.21 C ATOM 1072 NH1 ARG A 88 -2.330 0.356 4.989 1.00 42.15 N ATOM 1073 NH2 ARG A 88 -1.419 -0.558 3.092 1.00 35.20 N ATOM 0 H ARG A 88 -2.655 6.449 2.908 1.00 40.04 H new ATOM 0 HA ARG A 88 -0.476 7.405 4.519 1.00 15.24 H new ATOM 0 HB2 ARG A 88 -0.227 5.116 5.131 1.00 34.33 H new ATOM 0 HB3 ARG A 88 -1.951 5.402 4.996 1.00 34.33 H new ATOM 0 HG2 ARG A 88 -1.747 4.483 2.588 1.00 20.20 H new ATOM 0 HG3 ARG A 88 -0.154 3.925 3.057 1.00 20.20 H new ATOM 0 HD2 ARG A 88 -1.402 2.864 5.118 1.00 33.11 H new ATOM 0 HD3 ARG A 88 -2.844 3.077 4.145 1.00 33.11 H new ATOM 0 HE ARG A 88 -0.993 1.808 2.456 1.00 14.11 H new ATOM 0 HH11 ARG A 88 -2.575 1.174 5.547 1.00 42.15 H new ATOM 0 HH12 ARG A 88 -2.545 -0.580 5.334 1.00 42.15 H new ATOM 0 HH21 ARG A 88 -0.961 -0.445 2.188 1.00 35.20 H new ATOM 0 HH22 ARG A 88 -1.635 -1.492 3.440 1.00 35.20 H new ATOM 1087 N SER A 89 0.082 6.439 1.487 1.00 60.43 N ATOM 1088 CA SER A 89 1.097 6.301 0.449 1.00 31.34 C ATOM 1089 C SER A 89 1.839 7.617 0.234 1.00 64.31 C ATOM 1090 O SER A 89 2.842 7.668 -0.477 1.00 22.54 O ATOM 1091 CB SER A 89 0.455 5.844 -0.862 1.00 41.01 C ATOM 1092 OG SER A 89 1.412 5.786 -1.906 1.00 40.14 O ATOM 0 H SER A 89 -0.877 6.447 1.141 1.00 60.43 H new ATOM 0 HA SER A 89 1.816 5.549 0.776 1.00 31.34 H new ATOM 0 HB2 SER A 89 0.001 4.862 -0.725 1.00 41.01 H new ATOM 0 HB3 SER A 89 -0.346 6.530 -1.137 1.00 41.01 H new ATOM 0 HG SER A 89 2.212 6.289 -1.645 1.00 40.14 H new ATOM 1098 N LEU A 90 1.338 8.678 0.855 1.00 13.20 N ATOM 1099 CA LEU A 90 1.952 9.996 0.733 1.00 20.50 C ATOM 1100 C LEU A 90 3.253 10.066 1.527 1.00 33.31 C ATOM 1101 O LEU A 90 3.503 9.265 2.427 1.00 24.22 O ATOM 1102 CB LEU A 90 0.985 11.078 1.219 1.00 31.32 C ATOM 1103 CG LEU A 90 0.049 11.667 0.164 1.00 52.04 C ATOM 1104 CD1 LEU A 90 -1.392 11.269 0.446 1.00 13.43 C ATOM 1105 CD2 LEU A 90 0.187 13.180 0.113 1.00 41.41 C ATOM 0 H LEU A 90 0.509 8.652 1.448 1.00 13.20 H new ATOM 0 HA LEU A 90 2.180 10.168 -0.319 1.00 20.50 H new ATOM 0 HB2 LEU A 90 0.377 10.660 2.021 1.00 31.32 H new ATOM 0 HB3 LEU A 90 1.569 11.891 1.652 1.00 31.32 H new ATOM 0 HG LEU A 90 0.331 11.265 -0.809 1.00 52.04 H new ATOM 0 HD11 LEU A 90 -2.044 11.698 -0.316 1.00 13.43 H new ATOM 0 HD12 LEU A 90 -1.479 10.183 0.429 1.00 13.43 H new ATOM 0 HD13 LEU A 90 -1.687 11.641 1.427 1.00 13.43 H new ATOM 0 HD21 LEU A 90 -0.487 13.582 -0.644 1.00 41.41 H new ATOM 0 HD22 LEU A 90 -0.067 13.602 1.086 1.00 41.41 H new ATOM 0 HD23 LEU A 90 1.214 13.443 -0.139 1.00 41.41 H new ATOM 1117 N PRO A 91 4.101 11.048 1.187 1.00 61.04 N ATOM 1118 CA PRO A 91 5.389 11.248 1.857 1.00 0.30 C ATOM 1119 C PRO A 91 5.226 11.751 3.288 1.00 31.13 C ATOM 1120 O PRO A 91 4.155 12.215 3.676 1.00 53.20 O ATOM 1121 CB PRO A 91 6.078 12.308 0.993 1.00 50.35 C ATOM 1122 CG PRO A 91 4.961 13.048 0.340 1.00 2.33 C ATOM 1123 CD PRO A 91 3.867 12.039 0.123 1.00 23.44 C ATOM 0 HA PRO A 91 5.951 10.318 1.945 1.00 0.30 H new ATOM 0 HB2 PRO A 91 6.693 12.973 1.598 1.00 50.35 H new ATOM 0 HB3 PRO A 91 6.735 11.850 0.254 1.00 50.35 H new ATOM 0 HG2 PRO A 91 4.616 13.868 0.969 1.00 2.33 H new ATOM 0 HG3 PRO A 91 5.282 13.485 -0.606 1.00 2.33 H new ATOM 0 HD2 PRO A 91 2.879 12.493 0.207 1.00 23.44 H new ATOM 0 HD3 PRO A 91 3.927 11.587 -0.867 1.00 23.44 H new ATOM 1131 N LYS A 92 6.297 11.654 4.069 1.00 32.51 N ATOM 1132 CA LYS A 92 6.275 12.100 5.456 1.00 1.54 C ATOM 1133 C LYS A 92 5.759 13.532 5.560 1.00 11.31 C ATOM 1134 O LYS A 92 5.966 14.343 4.657 1.00 11.14 O ATOM 1135 CB LYS A 92 7.675 12.006 6.067 1.00 24.45 C ATOM 1136 CG LYS A 92 8.738 12.738 5.267 1.00 34.54 C ATOM 1137 CD LYS A 92 9.785 11.781 4.723 1.00 43.24 C ATOM 1138 CE LYS A 92 10.903 11.547 5.729 1.00 22.10 C ATOM 1139 NZ LYS A 92 12.237 11.888 5.163 1.00 24.23 N ATOM 0 H LYS A 92 7.191 11.270 3.764 1.00 32.51 H new ATOM 0 HA LYS A 92 5.599 11.448 6.009 1.00 1.54 H new ATOM 0 HB2 LYS A 92 7.649 12.412 7.078 1.00 24.45 H new ATOM 0 HB3 LYS A 92 7.955 10.956 6.153 1.00 24.45 H new ATOM 0 HG2 LYS A 92 8.269 13.273 4.441 1.00 34.54 H new ATOM 0 HG3 LYS A 92 9.220 13.485 5.898 1.00 34.54 H new ATOM 0 HD2 LYS A 92 9.315 10.830 4.472 1.00 43.24 H new ATOM 0 HD3 LYS A 92 10.203 12.183 3.800 1.00 43.24 H new ATOM 0 HE2 LYS A 92 10.722 12.148 6.620 1.00 22.10 H new ATOM 0 HE3 LYS A 92 10.897 10.503 6.042 1.00 22.10 H new ATOM 0 HZ1 LYS A 92 12.972 11.715 5.878 1.00 24.23 H new ATOM 0 HZ2 LYS A 92 12.421 11.297 4.328 1.00 24.23 H new ATOM 0 HZ3 LYS A 92 12.251 12.891 4.887 1.00 24.23 H new ATOM 1153 N VAL A 93 5.089 13.836 6.667 1.00 22.10 N ATOM 1154 CA VAL A 93 4.546 15.171 6.889 1.00 41.34 C ATOM 1155 C VAL A 93 5.661 16.204 7.011 1.00 71.23 C ATOM 1156 O VAL A 93 6.689 15.954 7.640 1.00 62.52 O ATOM 1157 CB VAL A 93 3.676 15.220 8.159 1.00 15.35 C ATOM 1158 CG1 VAL A 93 4.531 15.011 9.399 1.00 45.14 C ATOM 1159 CG2 VAL A 93 2.920 16.538 8.237 1.00 64.23 C ATOM 0 H VAL A 93 4.909 13.176 7.424 1.00 22.10 H new ATOM 0 HA VAL A 93 3.927 15.408 6.024 1.00 41.34 H new ATOM 0 HB VAL A 93 2.946 14.412 8.110 1.00 15.35 H new ATOM 0 HG11 VAL A 93 3.900 15.049 10.287 1.00 45.14 H new ATOM 0 HG12 VAL A 93 5.021 14.039 9.343 1.00 45.14 H new ATOM 0 HG13 VAL A 93 5.286 15.795 9.457 1.00 45.14 H new ATOM 0 HG21 VAL A 93 2.311 16.555 9.141 1.00 64.23 H new ATOM 0 HG22 VAL A 93 3.631 17.364 8.263 1.00 64.23 H new ATOM 0 HG23 VAL A 93 2.276 16.641 7.363 1.00 64.23 H new ATOM 1169 N LYS A 94 5.452 17.368 6.404 1.00 33.11 N ATOM 1170 CA LYS A 94 6.437 18.441 6.445 1.00 74.13 C ATOM 1171 C LYS A 94 6.719 18.866 7.882 1.00 13.12 C ATOM 1172 O LYS A 94 7.815 19.327 8.199 1.00 64.04 O ATOM 1173 CB LYS A 94 5.946 19.643 5.633 1.00 63.31 C ATOM 1174 CG LYS A 94 4.763 20.359 6.262 1.00 1.04 C ATOM 1175 CD LYS A 94 4.325 21.550 5.427 1.00 2.13 C ATOM 1176 CE LYS A 94 2.891 21.950 5.736 1.00 55.41 C ATOM 1177 NZ LYS A 94 2.827 23.099 6.682 1.00 3.32 N ATOM 0 H LYS A 94 4.608 17.592 5.877 1.00 33.11 H new ATOM 0 HA LYS A 94 7.363 18.068 6.007 1.00 74.13 H new ATOM 0 HB2 LYS A 94 6.767 20.350 5.514 1.00 63.31 H new ATOM 0 HB3 LYS A 94 5.668 19.307 4.634 1.00 63.31 H new ATOM 0 HG2 LYS A 94 3.931 19.663 6.370 1.00 1.04 H new ATOM 0 HG3 LYS A 94 5.030 20.694 7.264 1.00 1.04 H new ATOM 0 HD2 LYS A 94 4.988 22.393 5.618 1.00 2.13 H new ATOM 0 HD3 LYS A 94 4.416 21.307 4.368 1.00 2.13 H new ATOM 0 HE2 LYS A 94 2.380 22.213 4.810 1.00 55.41 H new ATOM 0 HE3 LYS A 94 2.360 21.099 6.162 1.00 55.41 H new ATOM 0 HZ1 LYS A 94 1.833 23.341 6.867 1.00 3.32 H new ATOM 0 HZ2 LYS A 94 3.292 22.840 7.575 1.00 3.32 H new ATOM 0 HZ3 LYS A 94 3.311 23.919 6.265 1.00 3.32 H new ATOM 1191 N ALA A 95 5.723 18.707 8.747 1.00 43.24 N ATOM 1192 CA ALA A 95 5.867 19.071 10.152 1.00 22.34 C ATOM 1193 C ALA A 95 7.016 18.308 10.803 1.00 53.05 C ATOM 1194 O ALA A 95 7.533 17.344 10.237 1.00 63.35 O ATOM 1195 CB ALA A 95 4.567 18.810 10.900 1.00 52.25 C ATOM 0 H ALA A 95 4.808 18.329 8.500 1.00 43.24 H new ATOM 0 HA ALA A 95 6.097 20.135 10.204 1.00 22.34 H new ATOM 0 HB1 ALA A 95 4.688 19.086 11.948 1.00 52.25 H new ATOM 0 HB2 ALA A 95 3.767 19.405 10.458 1.00 52.25 H new ATOM 0 HB3 ALA A 95 4.313 17.752 10.830 1.00 52.25 H new ATOM 1201 N LEU A 96 7.411 18.744 11.993 1.00 64.45 N ATOM 1202 CA LEU A 96 8.499 18.102 12.721 1.00 14.02 C ATOM 1203 C LEU A 96 7.999 17.496 14.028 1.00 34.44 C ATOM 1204 O LEU A 96 8.749 17.374 14.995 1.00 71.42 O ATOM 1205 CB LEU A 96 9.613 19.112 13.007 1.00 51.12 C ATOM 1206 CG LEU A 96 9.349 20.097 14.146 1.00 73.52 C ATOM 1207 CD1 LEU A 96 10.384 19.929 15.248 1.00 13.14 C ATOM 1208 CD2 LEU A 96 9.349 21.526 13.625 1.00 22.44 C ATOM 0 H LEU A 96 6.994 19.540 12.475 1.00 64.45 H new ATOM 0 HA LEU A 96 8.895 17.299 12.099 1.00 14.02 H new ATOM 0 HB2 LEU A 96 10.526 18.561 13.234 1.00 51.12 H new ATOM 0 HB3 LEU A 96 9.802 19.682 12.097 1.00 51.12 H new ATOM 0 HG LEU A 96 8.365 19.884 14.565 1.00 73.52 H new ATOM 0 HD11 LEU A 96 10.180 20.638 16.050 1.00 13.14 H new ATOM 0 HD12 LEU A 96 10.336 18.913 15.641 1.00 13.14 H new ATOM 0 HD13 LEU A 96 11.379 20.115 14.844 1.00 13.14 H new ATOM 0 HD21 LEU A 96 9.160 22.214 14.449 1.00 22.44 H new ATOM 0 HD22 LEU A 96 10.318 21.751 13.180 1.00 22.44 H new ATOM 0 HD23 LEU A 96 8.569 21.639 12.872 1.00 22.44 H new ATOM 1220 N GLY A 97 6.724 17.117 14.049 1.00 30.52 N ATOM 1221 CA GLY A 97 6.145 16.527 15.241 1.00 24.04 C ATOM 1222 C GLY A 97 6.260 15.015 15.254 1.00 63.23 C ATOM 1223 O GLY A 97 6.684 14.426 16.249 1.00 25.44 O ATOM 0 H GLY A 97 6.082 17.208 13.261 1.00 30.52 H new ATOM 0 HA2 GLY A 97 6.642 16.934 16.122 1.00 24.04 H new ATOM 0 HA3 GLY A 97 5.094 16.809 15.309 1.00 24.04 H new ATOM 1227 N TYR A 98 5.878 14.386 14.149 1.00 25.14 N ATOM 1228 CA TYR A 98 5.935 12.932 14.038 1.00 64.42 C ATOM 1229 C TYR A 98 6.892 12.509 12.928 1.00 51.13 C ATOM 1230 O TYR A 98 6.724 11.452 12.318 1.00 44.34 O ATOM 1231 CB TYR A 98 4.541 12.366 13.769 1.00 63.01 C ATOM 1232 CG TYR A 98 4.325 10.986 14.352 1.00 12.11 C ATOM 1233 CD1 TYR A 98 3.873 10.824 15.654 1.00 53.53 C ATOM 1234 CD2 TYR A 98 4.573 9.846 13.598 1.00 14.42 C ATOM 1235 CE1 TYR A 98 3.675 9.567 16.191 1.00 3.43 C ATOM 1236 CE2 TYR A 98 4.378 8.585 14.125 1.00 72.14 C ATOM 1237 CZ TYR A 98 3.929 8.450 15.423 1.00 62.14 C ATOM 1238 OH TYR A 98 3.732 7.195 15.953 1.00 14.41 O ATOM 0 H TYR A 98 5.525 14.859 13.317 1.00 25.14 H new ATOM 0 HA TYR A 98 6.305 12.534 14.983 1.00 64.42 H new ATOM 0 HB2 TYR A 98 3.796 13.046 14.181 1.00 63.01 H new ATOM 0 HB3 TYR A 98 4.375 12.327 12.692 1.00 63.01 H new ATOM 0 HD1 TYR A 98 3.672 11.696 16.258 1.00 53.53 H new ATOM 0 HD2 TYR A 98 4.924 9.948 12.582 1.00 14.42 H new ATOM 0 HE1 TYR A 98 3.323 9.459 17.206 1.00 3.43 H new ATOM 0 HE2 TYR A 98 4.576 7.709 13.525 1.00 72.14 H new ATOM 0 HH TYR A 98 3.956 6.517 15.281 1.00 14.41 H new ATOM 1248 N ASP A 99 7.896 13.340 12.672 1.00 64.12 N ATOM 1249 CA ASP A 99 8.882 13.052 11.637 1.00 43.03 C ATOM 1250 C ASP A 99 9.964 12.115 12.163 1.00 30.11 C ATOM 1251 O ASP A 99 10.064 11.878 13.366 1.00 40.41 O ATOM 1252 CB ASP A 99 9.515 14.349 11.131 1.00 22.25 C ATOM 1253 CG ASP A 99 10.360 15.032 12.187 1.00 73.14 C ATOM 1254 OD1 ASP A 99 10.229 14.672 13.375 1.00 3.24 O ATOM 1255 OD2 ASP A 99 11.151 15.929 11.827 1.00 62.33 O ATOM 0 H ASP A 99 8.049 14.219 13.167 1.00 64.12 H new ATOM 0 HA ASP A 99 8.371 12.559 10.810 1.00 43.03 H new ATOM 0 HB2 ASP A 99 10.133 14.132 10.260 1.00 22.25 H new ATOM 0 HB3 ASP A 99 8.729 15.029 10.803 1.00 22.25 H new ATOM 1260 N GLY A 100 10.774 11.583 11.252 1.00 30.40 N ATOM 1261 CA GLY A 100 11.838 10.676 11.644 1.00 21.03 C ATOM 1262 C GLY A 100 13.170 11.381 11.806 1.00 71.20 C ATOM 1263 O GLY A 100 13.915 11.106 12.744 1.00 45.11 O ATOM 0 H GLY A 100 10.712 11.764 10.250 1.00 30.40 H new ATOM 0 HA2 GLY A 100 11.570 10.191 12.583 1.00 21.03 H new ATOM 0 HA3 GLY A 100 11.935 9.890 10.895 1.00 21.03 H new ATOM 1267 N ASN A 101 13.471 12.292 10.885 1.00 21.13 N ATOM 1268 CA ASN A 101 14.724 13.037 10.929 1.00 21.40 C ATOM 1269 C ASN A 101 14.749 13.990 12.120 1.00 52.20 C ATOM 1270 O ASN A 101 15.518 14.951 12.142 1.00 73.11 O ATOM 1271 CB ASN A 101 14.921 13.821 9.630 1.00 4.53 C ATOM 1272 CG ASN A 101 16.155 13.378 8.869 1.00 13.32 C ATOM 1273 OD1 ASN A 101 17.238 13.938 9.038 1.00 64.14 O ATOM 1274 ND2 ASN A 101 15.997 12.367 8.023 1.00 14.14 N ATOM 0 H ASN A 101 12.865 12.531 10.100 1.00 21.13 H new ATOM 0 HA ASN A 101 15.539 12.322 11.041 1.00 21.40 H new ATOM 0 HB2 ASN A 101 14.043 13.696 8.997 1.00 4.53 H new ATOM 0 HB3 ASN A 101 15.001 14.884 9.859 1.00 4.53 H new ATOM 0 HD21 ASN A 101 16.792 12.026 7.482 1.00 14.14 H new ATOM 0 HD22 ASN A 101 15.081 11.932 7.914 1.00 14.14 H new TER 1281 ASN A 101