USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 649 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 41 SER OG : rot 180:sc= -0.469 USER MOD Set 1.2: A 77 ASN : amide:sc= -0.179 X(o=-0.65,f=-0.65) USER MOD Set 2.1: A 26 ASN : amide:sc= -0.251 X(o=0.02,f=-0.16) USER MOD Set 2.2: A 29 SER OG : rot -160:sc= 0.475 USER MOD Set 2.3: A 81 SER OG : rot 180:sc= -0.204 USER MOD Set 3.1: A 8 TYR OH : rot 180:sc= 0.209 USER MOD Set 3.2: A 17 SER OG : rot -120:sc= 1.77 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 58:sc= 0.997 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= -0.483 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -4.08! C(o=-4.1!,f=-12!) USER MOD Single : A 42 SER OG : rot 180:sc= -0.987 USER MOD Single : A 47 SER OG : rot 180:sc= 0.0938 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 56 HIS : no HD1:sc= -0.737 K(o=-0.74,f=-1.5) USER MOD Single : A 57 ASN : amide:sc= -0.0512 K(o=-0.051,f=-0.72) USER MOD Single : A 58 ASN : amide:sc= -0.139 K(o=-0.14,f=-1.7!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0.0267 USER MOD Single : A 80 SER OG : rot 90:sc= -0.17 USER MOD Single : A 85 SER OG : rot 180:sc= -0.0893 USER MOD Single : A 86 LYS NZ :NH3+ -133:sc= -0.494 (180deg=-1.58!) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 23 N LYS A 3 5.082 4.126 -1.065 1.00 61.25 N ATOM 24 CA LYS A 3 5.110 5.533 -0.683 1.00 63.33 C ATOM 25 C LYS A 3 6.386 5.862 0.086 1.00 54.01 C ATOM 26 O LYS A 3 6.422 6.808 0.874 1.00 34.31 O ATOM 27 CB LYS A 3 3.886 5.876 0.168 1.00 73.21 C ATOM 28 CG LYS A 3 2.615 6.066 -0.643 1.00 4.12 C ATOM 29 CD LYS A 3 2.065 4.739 -1.137 1.00 65.24 C ATOM 30 CE LYS A 3 0.609 4.861 -1.558 1.00 31.10 C ATOM 31 NZ LYS A 3 0.044 3.552 -1.987 1.00 71.33 N ATOM 0 HA LYS A 3 5.091 6.132 -1.594 1.00 63.33 H new ATOM 0 HB2 LYS A 3 3.727 5.081 0.897 1.00 73.21 H new ATOM 0 HB3 LYS A 3 4.088 6.788 0.730 1.00 73.21 H new ATOM 0 HG2 LYS A 3 1.864 6.567 -0.032 1.00 4.12 H new ATOM 0 HG3 LYS A 3 2.819 6.716 -1.494 1.00 4.12 H new ATOM 0 HD2 LYS A 3 2.660 4.388 -1.980 1.00 65.24 H new ATOM 0 HD3 LYS A 3 2.156 3.991 -0.350 1.00 65.24 H new ATOM 0 HE2 LYS A 3 0.023 5.255 -0.728 1.00 31.10 H new ATOM 0 HE3 LYS A 3 0.526 5.578 -2.375 1.00 31.10 H new ATOM 0 HZ1 LYS A 3 -0.950 3.678 -2.266 1.00 71.33 H new ATOM 0 HZ2 LYS A 3 0.587 3.188 -2.796 1.00 71.33 H new ATOM 0 HZ3 LYS A 3 0.099 2.875 -1.199 1.00 71.33 H new ATOM 45 N THR A 4 7.433 5.077 -0.149 1.00 35.23 N ATOM 46 CA THR A 4 8.710 5.285 0.522 1.00 53.34 C ATOM 47 C THR A 4 9.871 4.832 -0.356 1.00 3.55 C ATOM 48 O THR A 4 9.783 3.815 -1.044 1.00 3.44 O ATOM 49 CB THR A 4 8.770 4.531 1.863 1.00 32.22 C ATOM 50 OG1 THR A 4 8.703 3.119 1.635 1.00 71.24 O ATOM 51 CG2 THR A 4 7.629 4.957 2.775 1.00 22.31 C ATOM 0 H THR A 4 7.421 4.291 -0.799 1.00 35.23 H new ATOM 0 HA THR A 4 8.797 6.355 0.712 1.00 53.34 H new ATOM 0 HB THR A 4 9.714 4.776 2.350 1.00 32.22 H new ATOM 0 HG1 THR A 4 8.744 2.647 2.493 1.00 71.24 H new ATOM 0 HG21 THR A 4 7.692 4.411 3.716 1.00 22.31 H new ATOM 0 HG22 THR A 4 7.700 6.027 2.971 1.00 22.31 H new ATOM 0 HG23 THR A 4 6.676 4.739 2.292 1.00 22.31 H new ATOM 59 N VAL A 5 10.961 5.594 -0.326 1.00 73.43 N ATOM 60 CA VAL A 5 12.141 5.269 -1.118 1.00 5.33 C ATOM 61 C VAL A 5 13.131 4.436 -0.312 1.00 22.52 C ATOM 62 O VAL A 5 13.345 4.681 0.875 1.00 2.25 O ATOM 63 CB VAL A 5 12.848 6.543 -1.619 1.00 63.40 C ATOM 64 CG1 VAL A 5 11.897 7.390 -2.450 1.00 71.32 C ATOM 65 CG2 VAL A 5 13.401 7.341 -0.448 1.00 22.31 C ATOM 0 H VAL A 5 11.051 6.439 0.238 1.00 73.43 H new ATOM 0 HA VAL A 5 11.798 4.691 -1.976 1.00 5.33 H new ATOM 0 HB VAL A 5 13.683 6.248 -2.254 1.00 63.40 H new ATOM 0 HG11 VAL A 5 12.414 8.285 -2.795 1.00 71.32 H new ATOM 0 HG12 VAL A 5 11.554 6.815 -3.310 1.00 71.32 H new ATOM 0 HG13 VAL A 5 11.040 7.678 -1.841 1.00 71.32 H new ATOM 0 HG21 VAL A 5 13.897 8.237 -0.820 1.00 22.31 H new ATOM 0 HG22 VAL A 5 12.585 7.627 0.215 1.00 22.31 H new ATOM 0 HG23 VAL A 5 14.118 6.731 0.101 1.00 22.31 H new ATOM 75 N LYS A 6 13.734 3.448 -0.965 1.00 71.11 N ATOM 76 CA LYS A 6 14.704 2.577 -0.311 1.00 54.12 C ATOM 77 C LYS A 6 16.128 2.964 -0.695 1.00 42.12 C ATOM 78 O LYS A 6 16.582 2.679 -1.804 1.00 65.30 O ATOM 79 CB LYS A 6 14.442 1.116 -0.686 1.00 1.55 C ATOM 80 CG LYS A 6 13.878 0.288 0.456 1.00 65.33 C ATOM 81 CD LYS A 6 12.368 0.154 0.355 1.00 2.42 C ATOM 82 CE LYS A 6 11.750 -0.206 1.697 1.00 31.33 C ATOM 83 NZ LYS A 6 11.392 -1.650 1.773 1.00 11.20 N ATOM 0 H LYS A 6 13.568 3.230 -1.948 1.00 71.11 H new ATOM 0 HA LYS A 6 14.593 2.695 0.767 1.00 54.12 H new ATOM 0 HB2 LYS A 6 13.747 1.084 -1.525 1.00 1.55 H new ATOM 0 HB3 LYS A 6 15.374 0.664 -1.026 1.00 1.55 H new ATOM 0 HG2 LYS A 6 14.333 -0.702 0.448 1.00 65.33 H new ATOM 0 HG3 LYS A 6 14.140 0.752 1.407 1.00 65.33 H new ATOM 0 HD2 LYS A 6 11.942 1.091 -0.004 1.00 2.42 H new ATOM 0 HD3 LYS A 6 12.118 -0.612 -0.379 1.00 2.42 H new ATOM 0 HE2 LYS A 6 12.450 0.037 2.496 1.00 31.33 H new ATOM 0 HE3 LYS A 6 10.858 0.399 1.860 1.00 31.33 H new ATOM 0 HZ1 LYS A 6 10.974 -1.856 2.703 1.00 11.20 H new ATOM 0 HZ2 LYS A 6 10.705 -1.877 1.026 1.00 11.20 H new ATOM 0 HZ3 LYS A 6 12.247 -2.227 1.643 1.00 11.20 H new ATOM 97 N LEU A 7 16.829 3.614 0.228 1.00 71.24 N ATOM 98 CA LEU A 7 18.203 4.039 -0.014 1.00 25.41 C ATOM 99 C LEU A 7 19.159 2.851 0.045 1.00 72.11 C ATOM 100 O LEU A 7 19.179 2.105 1.024 1.00 13.14 O ATOM 101 CB LEU A 7 18.620 5.094 1.012 1.00 33.24 C ATOM 102 CG LEU A 7 17.894 6.437 0.926 1.00 21.11 C ATOM 103 CD1 LEU A 7 18.385 7.380 2.013 1.00 24.25 C ATOM 104 CD2 LEU A 7 18.086 7.060 -0.449 1.00 63.41 C ATOM 0 H LEU A 7 16.468 3.858 1.150 1.00 71.24 H new ATOM 0 HA LEU A 7 18.252 4.473 -1.013 1.00 25.41 H new ATOM 0 HB2 LEU A 7 18.465 4.683 2.010 1.00 33.24 H new ATOM 0 HB3 LEU A 7 19.690 5.274 0.904 1.00 33.24 H new ATOM 0 HG LEU A 7 16.829 6.263 1.079 1.00 21.11 H new ATOM 0 HD11 LEU A 7 17.857 8.330 1.936 1.00 24.25 H new ATOM 0 HD12 LEU A 7 18.195 6.938 2.991 1.00 24.25 H new ATOM 0 HD13 LEU A 7 19.455 7.549 1.892 1.00 24.25 H new ATOM 0 HD21 LEU A 7 17.562 8.015 -0.492 1.00 63.41 H new ATOM 0 HD22 LEU A 7 19.149 7.220 -0.631 1.00 63.41 H new ATOM 0 HD23 LEU A 7 17.684 6.392 -1.211 1.00 63.41 H new ATOM 116 N TYR A 8 19.950 2.683 -1.008 1.00 64.44 N ATOM 117 CA TYR A 8 20.908 1.586 -1.077 1.00 24.51 C ATOM 118 C TYR A 8 22.331 2.114 -1.239 1.00 75.52 C ATOM 119 O TYR A 8 22.578 3.027 -2.025 1.00 5.41 O ATOM 120 CB TYR A 8 20.564 0.651 -2.238 1.00 53.41 C ATOM 121 CG TYR A 8 20.040 -0.696 -1.796 1.00 74.21 C ATOM 122 CD1 TYR A 8 20.840 -1.571 -1.072 1.00 20.13 C ATOM 123 CD2 TYR A 8 18.745 -1.095 -2.103 1.00 73.14 C ATOM 124 CE1 TYR A 8 20.366 -2.804 -0.666 1.00 52.33 C ATOM 125 CE2 TYR A 8 18.262 -2.325 -1.701 1.00 33.02 C ATOM 126 CZ TYR A 8 19.076 -3.176 -0.983 1.00 10.22 C ATOM 127 OH TYR A 8 18.599 -4.403 -0.581 1.00 50.52 O ATOM 0 H TYR A 8 19.947 3.292 -1.826 1.00 64.44 H new ATOM 0 HA TYR A 8 20.850 1.029 -0.142 1.00 24.51 H new ATOM 0 HB2 TYR A 8 19.818 1.131 -2.872 1.00 53.41 H new ATOM 0 HB3 TYR A 8 21.454 0.502 -2.850 1.00 53.41 H new ATOM 0 HD1 TYR A 8 21.850 -1.283 -0.822 1.00 20.13 H new ATOM 0 HD2 TYR A 8 18.105 -0.432 -2.666 1.00 73.14 H new ATOM 0 HE1 TYR A 8 21.002 -3.472 -0.104 1.00 52.33 H new ATOM 0 HE2 TYR A 8 17.252 -2.619 -1.948 1.00 33.02 H new ATOM 0 HH TYR A 8 17.673 -4.509 -0.884 1.00 50.52 H new ATOM 137 N GLU A 9 23.261 1.530 -0.490 1.00 34.31 N ATOM 138 CA GLU A 9 24.658 1.941 -0.550 1.00 43.12 C ATOM 139 C GLU A 9 25.359 1.312 -1.751 1.00 24.35 C ATOM 140 O GLU A 9 26.216 1.934 -2.379 1.00 23.43 O ATOM 141 CB GLU A 9 25.384 1.552 0.740 1.00 54.22 C ATOM 142 CG GLU A 9 25.507 0.051 0.940 1.00 61.04 C ATOM 143 CD GLU A 9 25.372 -0.357 2.394 1.00 62.02 C ATOM 144 OE1 GLU A 9 25.954 0.331 3.259 1.00 53.22 O ATOM 145 OE2 GLU A 9 24.686 -1.364 2.667 1.00 50.20 O ATOM 0 H GLU A 9 23.072 0.771 0.165 1.00 34.31 H new ATOM 0 HA GLU A 9 24.686 3.025 -0.661 1.00 43.12 H new ATOM 0 HB2 GLU A 9 26.381 1.992 0.733 1.00 54.22 H new ATOM 0 HB3 GLU A 9 24.853 1.981 1.590 1.00 54.22 H new ATOM 0 HG2 GLU A 9 24.740 -0.454 0.352 1.00 61.04 H new ATOM 0 HG3 GLU A 9 26.472 -0.284 0.561 1.00 61.04 H new ATOM 152 N ASP A 10 24.990 0.075 -2.062 1.00 75.52 N ATOM 153 CA ASP A 10 25.582 -0.640 -3.187 1.00 73.11 C ATOM 154 C ASP A 10 24.926 -0.225 -4.500 1.00 43.15 C ATOM 155 O ASP A 10 23.700 -0.191 -4.612 1.00 43.41 O ATOM 156 CB ASP A 10 25.444 -2.150 -2.989 1.00 33.40 C ATOM 157 CG ASP A 10 26.485 -2.934 -3.764 1.00 5.55 C ATOM 158 OD1 ASP A 10 26.325 -3.078 -4.993 1.00 61.33 O ATOM 159 OD2 ASP A 10 27.461 -3.402 -3.140 1.00 32.42 O ATOM 0 H ASP A 10 24.283 -0.454 -1.551 1.00 75.52 H new ATOM 0 HA ASP A 10 26.640 -0.383 -3.233 1.00 73.11 H new ATOM 0 HB2 ASP A 10 25.533 -2.384 -1.928 1.00 33.40 H new ATOM 0 HB3 ASP A 10 24.449 -2.465 -3.302 1.00 33.40 H new ATOM 164 N THR A 11 25.751 0.092 -5.494 1.00 23.52 N ATOM 165 CA THR A 11 25.253 0.507 -6.799 1.00 34.22 C ATOM 166 C THR A 11 24.836 -0.697 -7.636 1.00 53.45 C ATOM 167 O THR A 11 25.334 -0.897 -8.745 1.00 15.50 O ATOM 168 CB THR A 11 26.310 1.315 -7.573 1.00 45.42 C ATOM 169 OG1 THR A 11 25.827 1.624 -8.885 1.00 42.42 O ATOM 170 CG2 THR A 11 27.615 0.540 -7.677 1.00 70.34 C ATOM 0 H THR A 11 26.768 0.069 -5.419 1.00 23.52 H new ATOM 0 HA THR A 11 24.384 1.140 -6.619 1.00 34.22 H new ATOM 0 HB THR A 11 26.498 2.240 -7.028 1.00 45.42 H new ATOM 0 HG1 THR A 11 24.986 2.122 -8.815 1.00 42.42 H new ATOM 0 HG21 THR A 11 28.346 1.131 -8.228 1.00 70.34 H new ATOM 0 HG22 THR A 11 27.996 0.332 -6.677 1.00 70.34 H new ATOM 0 HG23 THR A 11 27.439 -0.400 -8.201 1.00 70.34 H new ATOM 178 N HIS A 12 23.919 -1.496 -7.100 1.00 71.05 N ATOM 179 CA HIS A 12 23.434 -2.680 -7.800 1.00 72.23 C ATOM 180 C HIS A 12 22.400 -3.423 -6.959 1.00 53.25 C ATOM 181 O HIS A 12 22.321 -4.651 -6.996 1.00 55.15 O ATOM 182 CB HIS A 12 24.598 -3.612 -8.137 1.00 42.05 C ATOM 183 CG HIS A 12 24.578 -4.110 -9.550 1.00 14.50 C ATOM 184 ND1 HIS A 12 25.265 -3.495 -10.575 1.00 4.53 N ATOM 185 CD2 HIS A 12 23.948 -5.171 -10.106 1.00 21.35 C ATOM 186 CE1 HIS A 12 25.058 -4.155 -11.700 1.00 25.33 C ATOM 187 NE2 HIS A 12 24.263 -5.178 -11.442 1.00 53.42 N ATOM 0 H HIS A 12 23.497 -1.345 -6.184 1.00 71.05 H new ATOM 0 HA HIS A 12 22.959 -2.355 -8.725 1.00 72.23 H new ATOM 0 HB2 HIS A 12 25.536 -3.087 -7.959 1.00 42.05 H new ATOM 0 HB3 HIS A 12 24.577 -4.466 -7.459 1.00 42.05 H new ATOM 0 HD2 HIS A 12 23.315 -5.880 -9.594 1.00 21.35 H new ATOM 0 HE1 HIS A 12 25.469 -3.902 -12.666 1.00 25.33 H new ATOM 0 HE2 HIS A 12 23.936 -5.862 -12.125 1.00 53.42 H new ATOM 195 N PHE A 13 21.609 -2.670 -6.202 1.00 4.24 N ATOM 196 CA PHE A 13 20.581 -3.257 -5.350 1.00 43.30 C ATOM 197 C PHE A 13 21.165 -4.363 -4.476 1.00 3.42 C ATOM 198 O PHE A 13 20.672 -5.491 -4.469 1.00 12.53 O ATOM 199 CB PHE A 13 19.440 -3.814 -6.203 1.00 31.42 C ATOM 200 CG PHE A 13 18.958 -2.860 -7.257 1.00 54.42 C ATOM 201 CD1 PHE A 13 18.480 -1.606 -6.910 1.00 24.15 C ATOM 202 CD2 PHE A 13 18.981 -3.216 -8.596 1.00 51.20 C ATOM 203 CE1 PHE A 13 18.036 -0.725 -7.877 1.00 41.13 C ATOM 204 CE2 PHE A 13 18.538 -2.339 -9.568 1.00 44.31 C ATOM 205 CZ PHE A 13 18.064 -1.092 -9.208 1.00 62.33 C ATOM 0 H PHE A 13 21.660 -1.652 -6.161 1.00 4.24 H new ATOM 0 HA PHE A 13 20.191 -2.473 -4.700 1.00 43.30 H new ATOM 0 HB2 PHE A 13 19.772 -4.735 -6.682 1.00 31.42 H new ATOM 0 HB3 PHE A 13 18.605 -4.076 -5.553 1.00 31.42 H new ATOM 0 HD1 PHE A 13 18.454 -1.314 -5.871 1.00 24.15 H new ATOM 0 HD2 PHE A 13 19.349 -4.190 -8.883 1.00 51.20 H new ATOM 0 HE1 PHE A 13 17.667 0.249 -7.592 1.00 41.13 H new ATOM 0 HE2 PHE A 13 18.562 -2.628 -10.608 1.00 44.31 H new ATOM 0 HZ PHE A 13 17.716 -0.406 -9.966 1.00 62.33 H new ATOM 215 N LYS A 14 22.221 -4.031 -3.739 1.00 74.25 N ATOM 216 CA LYS A 14 22.873 -4.994 -2.860 1.00 44.03 C ATOM 217 C LYS A 14 23.189 -4.367 -1.506 1.00 62.11 C ATOM 218 O LYS A 14 23.252 -3.145 -1.376 1.00 62.42 O ATOM 219 CB LYS A 14 24.160 -5.515 -3.506 1.00 13.53 C ATOM 220 CG LYS A 14 24.098 -6.984 -3.886 1.00 10.22 C ATOM 221 CD LYS A 14 23.579 -7.172 -5.301 1.00 72.24 C ATOM 222 CE LYS A 14 24.713 -7.181 -6.315 1.00 22.04 C ATOM 223 NZ LYS A 14 24.917 -8.532 -6.908 1.00 14.33 N ATOM 0 H LYS A 14 22.643 -3.102 -3.734 1.00 74.25 H new ATOM 0 HA LYS A 14 22.189 -5.828 -2.704 1.00 44.03 H new ATOM 0 HB2 LYS A 14 24.373 -4.926 -4.398 1.00 13.53 H new ATOM 0 HB3 LYS A 14 24.990 -5.361 -2.817 1.00 13.53 H new ATOM 0 HG2 LYS A 14 25.091 -7.425 -3.800 1.00 10.22 H new ATOM 0 HG3 LYS A 14 23.452 -7.515 -3.187 1.00 10.22 H new ATOM 0 HD2 LYS A 14 23.025 -8.109 -5.365 1.00 72.24 H new ATOM 0 HD3 LYS A 14 22.880 -6.371 -5.543 1.00 72.24 H new ATOM 0 HE2 LYS A 14 24.497 -6.465 -7.108 1.00 22.04 H new ATOM 0 HE3 LYS A 14 25.634 -6.853 -5.833 1.00 22.04 H new ATOM 0 HZ1 LYS A 14 25.698 -8.496 -7.594 1.00 14.33 H new ATOM 0 HZ2 LYS A 14 25.149 -9.210 -6.155 1.00 14.33 H new ATOM 0 HZ3 LYS A 14 24.047 -8.834 -7.390 1.00 14.33 H new ATOM 237 N GLY A 15 23.389 -5.213 -0.499 1.00 55.34 N ATOM 238 CA GLY A 15 23.697 -4.722 0.831 1.00 31.42 C ATOM 239 C GLY A 15 22.453 -4.475 1.661 1.00 55.44 C ATOM 240 O GLY A 15 21.549 -5.310 1.702 1.00 50.02 O ATOM 0 H GLY A 15 23.343 -6.229 -0.581 1.00 55.34 H new ATOM 0 HA2 GLY A 15 24.334 -5.444 1.343 1.00 31.42 H new ATOM 0 HA3 GLY A 15 24.266 -3.796 0.750 1.00 31.42 H new ATOM 244 N TYR A 16 22.405 -3.325 2.324 1.00 3.13 N ATOM 245 CA TYR A 16 21.264 -2.971 3.160 1.00 22.42 C ATOM 246 C TYR A 16 20.463 -1.834 2.535 1.00 13.42 C ATOM 247 O TYR A 16 20.997 -1.028 1.773 1.00 23.21 O ATOM 248 CB TYR A 16 21.735 -2.570 4.559 1.00 0.01 C ATOM 249 CG TYR A 16 20.797 -3.005 5.662 1.00 75.01 C ATOM 250 CD1 TYR A 16 20.924 -4.253 6.258 1.00 64.51 C ATOM 251 CD2 TYR A 16 19.782 -2.167 6.109 1.00 43.34 C ATOM 252 CE1 TYR A 16 20.069 -4.655 7.265 1.00 33.22 C ATOM 253 CE2 TYR A 16 18.923 -2.560 7.116 1.00 11.54 C ATOM 254 CZ TYR A 16 19.070 -3.805 7.691 1.00 12.31 C ATOM 255 OH TYR A 16 18.216 -4.201 8.695 1.00 2.32 O ATOM 0 H TYR A 16 23.143 -2.622 2.299 1.00 3.13 H new ATOM 0 HA TYR A 16 20.618 -3.845 3.238 1.00 22.42 H new ATOM 0 HB2 TYR A 16 22.719 -3.002 4.739 1.00 0.01 H new ATOM 0 HB3 TYR A 16 21.850 -1.487 4.598 1.00 0.01 H new ATOM 0 HD1 TYR A 16 21.706 -4.921 5.928 1.00 64.51 H new ATOM 0 HD2 TYR A 16 19.663 -1.192 5.661 1.00 43.34 H new ATOM 0 HE1 TYR A 16 20.182 -5.630 7.716 1.00 33.22 H new ATOM 0 HE2 TYR A 16 18.140 -1.896 7.452 1.00 11.54 H new ATOM 0 HH TYR A 16 17.571 -3.486 8.877 1.00 2.32 H new ATOM 265 N SER A 17 19.176 -1.774 2.864 1.00 23.24 N ATOM 266 CA SER A 17 18.299 -0.738 2.334 1.00 55.32 C ATOM 267 C SER A 17 17.565 -0.017 3.461 1.00 22.32 C ATOM 268 O SER A 17 17.163 -0.633 4.449 1.00 43.31 O ATOM 269 CB SER A 17 17.288 -1.345 1.359 1.00 32.32 C ATOM 270 OG SER A 17 17.389 -2.759 1.335 1.00 50.41 O ATOM 0 H SER A 17 18.718 -2.431 3.495 1.00 23.24 H new ATOM 0 HA SER A 17 18.915 -0.013 1.803 1.00 55.32 H new ATOM 0 HB2 SER A 17 16.278 -1.054 1.649 1.00 32.32 H new ATOM 0 HB3 SER A 17 17.459 -0.948 0.358 1.00 32.32 H new ATOM 0 HG SER A 17 17.611 -3.056 0.428 1.00 50.41 H new ATOM 276 N VAL A 18 17.395 1.292 3.306 1.00 35.21 N ATOM 277 CA VAL A 18 16.709 2.098 4.309 1.00 30.43 C ATOM 278 C VAL A 18 15.519 2.833 3.704 1.00 74.00 C ATOM 279 O VAL A 18 15.647 3.506 2.682 1.00 62.43 O ATOM 280 CB VAL A 18 17.661 3.125 4.951 1.00 71.35 C ATOM 281 CG1 VAL A 18 16.918 3.982 5.964 1.00 72.12 C ATOM 282 CG2 VAL A 18 18.843 2.422 5.600 1.00 64.32 C ATOM 0 H VAL A 18 17.723 1.817 2.495 1.00 35.21 H new ATOM 0 HA VAL A 18 16.355 1.412 5.078 1.00 30.43 H new ATOM 0 HB VAL A 18 18.042 3.780 4.168 1.00 71.35 H new ATOM 0 HG11 VAL A 18 17.607 4.701 6.407 1.00 72.12 H new ATOM 0 HG12 VAL A 18 16.108 4.515 5.466 1.00 72.12 H new ATOM 0 HG13 VAL A 18 16.506 3.345 6.747 1.00 72.12 H new ATOM 0 HG21 VAL A 18 19.505 3.163 6.049 1.00 64.32 H new ATOM 0 HG22 VAL A 18 18.483 1.742 6.372 1.00 64.32 H new ATOM 0 HG23 VAL A 18 19.389 1.857 4.845 1.00 64.32 H new ATOM 292 N GLU A 19 14.360 2.700 4.343 1.00 64.01 N ATOM 293 CA GLU A 19 13.147 3.352 3.866 1.00 15.33 C ATOM 294 C GLU A 19 13.124 4.823 4.272 1.00 42.32 C ATOM 295 O GLU A 19 13.488 5.175 5.395 1.00 41.13 O ATOM 296 CB GLU A 19 11.909 2.641 4.417 1.00 12.24 C ATOM 297 CG GLU A 19 11.876 2.565 5.935 1.00 70.55 C ATOM 298 CD GLU A 19 12.458 1.269 6.466 1.00 44.20 C ATOM 299 OE1 GLU A 19 11.720 0.263 6.515 1.00 54.33 O ATOM 300 OE2 GLU A 19 13.652 1.261 6.833 1.00 12.21 O ATOM 0 H GLU A 19 14.237 2.147 5.191 1.00 64.01 H new ATOM 0 HA GLU A 19 13.138 3.293 2.778 1.00 15.33 H new ATOM 0 HB2 GLU A 19 11.017 3.160 4.068 1.00 12.24 H new ATOM 0 HB3 GLU A 19 11.869 1.631 4.010 1.00 12.24 H new ATOM 0 HG2 GLU A 19 12.432 3.406 6.350 1.00 70.55 H new ATOM 0 HG3 GLU A 19 10.846 2.664 6.278 1.00 70.55 H new ATOM 307 N LEU A 20 12.695 5.678 3.350 1.00 44.30 N ATOM 308 CA LEU A 20 12.626 7.112 3.610 1.00 54.12 C ATOM 309 C LEU A 20 11.299 7.689 3.127 1.00 35.13 C ATOM 310 O LEU A 20 11.173 8.163 1.998 1.00 65.21 O ATOM 311 CB LEU A 20 13.787 7.832 2.923 1.00 5.01 C ATOM 312 CG LEU A 20 15.039 8.050 3.774 1.00 0.00 C ATOM 313 CD1 LEU A 20 14.718 8.913 4.985 1.00 72.44 C ATOM 314 CD2 LEU A 20 15.628 6.716 4.209 1.00 75.33 C ATOM 0 H LEU A 20 12.390 5.403 2.416 1.00 44.30 H new ATOM 0 HA LEU A 20 12.698 7.265 4.687 1.00 54.12 H new ATOM 0 HB2 LEU A 20 14.069 7.262 2.037 1.00 5.01 H new ATOM 0 HB3 LEU A 20 13.433 8.803 2.578 1.00 5.01 H new ATOM 0 HG LEU A 20 15.780 8.571 3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 20 15.621 9.057 5.579 1.00 72.44 H new ATOM 0 HD12 LEU A 20 14.344 9.881 4.653 1.00 72.44 H new ATOM 0 HD13 LEU A 20 13.959 8.420 5.593 1.00 72.44 H new ATOM 0 HD21 LEU A 20 16.518 6.891 4.813 1.00 75.33 H new ATOM 0 HD22 LEU A 20 14.892 6.168 4.797 1.00 75.33 H new ATOM 0 HD23 LEU A 20 15.896 6.132 3.328 1.00 75.33 H new ATOM 326 N PRO A 21 10.283 7.651 4.003 1.00 62.10 N ATOM 327 CA PRO A 21 8.948 8.168 3.690 1.00 51.24 C ATOM 328 C PRO A 21 8.926 9.689 3.581 1.00 41.11 C ATOM 329 O PRO A 21 9.929 10.354 3.839 1.00 43.41 O ATOM 330 CB PRO A 21 8.100 7.705 4.877 1.00 23.11 C ATOM 331 CG PRO A 21 9.071 7.548 5.997 1.00 74.45 C ATOM 332 CD PRO A 21 10.361 7.101 5.367 1.00 73.44 C ATOM 0 HA PRO A 21 8.588 7.809 2.726 1.00 51.24 H new ATOM 0 HB2 PRO A 21 7.328 8.435 5.121 1.00 23.11 H new ATOM 0 HB3 PRO A 21 7.592 6.766 4.658 1.00 23.11 H new ATOM 0 HG2 PRO A 21 9.204 8.488 6.533 1.00 74.45 H new ATOM 0 HG3 PRO A 21 8.716 6.815 6.721 1.00 74.45 H new ATOM 0 HD2 PRO A 21 11.226 7.486 5.907 1.00 73.44 H new ATOM 0 HD3 PRO A 21 10.448 6.015 5.358 1.00 73.44 H new ATOM 340 N VAL A 22 7.776 10.234 3.198 1.00 51.14 N ATOM 341 CA VAL A 22 7.623 11.677 3.056 1.00 2.14 C ATOM 342 C VAL A 22 8.333 12.418 4.184 1.00 34.23 C ATOM 343 O VAL A 22 7.934 12.331 5.345 1.00 23.11 O ATOM 344 CB VAL A 22 6.138 12.086 3.043 1.00 62.21 C ATOM 345 CG1 VAL A 22 5.412 11.499 4.244 1.00 51.32 C ATOM 346 CG2 VAL A 22 6.003 13.601 3.015 1.00 21.34 C ATOM 0 H VAL A 22 6.936 9.698 2.980 1.00 51.14 H new ATOM 0 HA VAL A 22 8.076 11.951 2.103 1.00 2.14 H new ATOM 0 HB VAL A 22 5.677 11.687 2.140 1.00 62.21 H new ATOM 0 HG11 VAL A 22 4.364 11.799 4.218 1.00 51.32 H new ATOM 0 HG12 VAL A 22 5.479 10.411 4.214 1.00 51.32 H new ATOM 0 HG13 VAL A 22 5.871 11.866 5.162 1.00 51.32 H new ATOM 0 HG21 VAL A 22 4.947 13.872 3.006 1.00 21.34 H new ATOM 0 HG22 VAL A 22 6.479 14.025 3.899 1.00 21.34 H new ATOM 0 HG23 VAL A 22 6.486 13.993 2.120 1.00 21.34 H new ATOM 356 N GLY A 23 9.387 13.148 3.834 1.00 3.03 N ATOM 357 CA GLY A 23 10.136 13.894 4.829 1.00 51.34 C ATOM 358 C GLY A 23 11.473 14.380 4.304 1.00 35.10 C ATOM 359 O GLY A 23 11.727 14.337 3.100 1.00 24.43 O ATOM 0 H GLY A 23 9.736 13.236 2.880 1.00 3.03 H new ATOM 0 HA2 GLY A 23 9.546 14.749 5.158 1.00 51.34 H new ATOM 0 HA3 GLY A 23 10.300 13.264 5.704 1.00 51.34 H new ATOM 363 N ASP A 24 12.327 14.845 5.208 1.00 24.02 N ATOM 364 CA ASP A 24 13.645 15.342 4.830 1.00 63.20 C ATOM 365 C ASP A 24 14.709 14.863 5.813 1.00 1.41 C ATOM 366 O ASP A 24 14.520 14.927 7.028 1.00 53.20 O ATOM 367 CB ASP A 24 13.640 16.870 4.769 1.00 14.13 C ATOM 368 CG ASP A 24 12.677 17.485 5.766 1.00 51.43 C ATOM 369 OD1 ASP A 24 13.005 17.510 6.971 1.00 52.03 O ATOM 370 OD2 ASP A 24 11.596 17.943 5.340 1.00 11.35 O ATOM 0 H ASP A 24 12.131 14.888 6.208 1.00 24.02 H new ATOM 0 HA ASP A 24 13.885 14.948 3.842 1.00 63.20 H new ATOM 0 HB2 ASP A 24 14.646 17.242 4.963 1.00 14.13 H new ATOM 0 HB3 ASP A 24 13.370 17.190 3.763 1.00 14.13 H new ATOM 375 N TYR A 25 15.827 14.383 5.280 1.00 50.53 N ATOM 376 CA TYR A 25 16.920 13.891 6.110 1.00 73.32 C ATOM 377 C TYR A 25 18.248 14.508 5.684 1.00 3.23 C ATOM 378 O TYR A 25 18.577 14.546 4.499 1.00 34.04 O ATOM 379 CB TYR A 25 17.004 12.366 6.027 1.00 75.33 C ATOM 380 CG TYR A 25 16.779 11.822 4.634 1.00 61.12 C ATOM 381 CD1 TYR A 25 15.521 11.862 4.045 1.00 2.02 C ATOM 382 CD2 TYR A 25 17.826 11.269 3.906 1.00 74.20 C ATOM 383 CE1 TYR A 25 15.312 11.366 2.773 1.00 33.42 C ATOM 384 CE2 TYR A 25 17.626 10.771 2.633 1.00 55.33 C ATOM 385 CZ TYR A 25 16.367 10.822 2.071 1.00 72.40 C ATOM 386 OH TYR A 25 16.162 10.327 0.803 1.00 4.31 O ATOM 0 H TYR A 25 16.000 14.324 4.277 1.00 50.53 H new ATOM 0 HA TYR A 25 16.719 14.182 7.141 1.00 73.32 H new ATOM 0 HB2 TYR A 25 17.984 12.045 6.379 1.00 75.33 H new ATOM 0 HB3 TYR A 25 16.265 11.933 6.701 1.00 75.33 H new ATOM 0 HD1 TYR A 25 14.693 12.288 4.591 1.00 2.02 H new ATOM 0 HD2 TYR A 25 18.813 11.228 4.343 1.00 74.20 H new ATOM 0 HE1 TYR A 25 14.328 11.404 2.330 1.00 33.42 H new ATOM 0 HE2 TYR A 25 18.450 10.344 2.081 1.00 55.33 H new ATOM 0 HH TYR A 25 17.007 9.981 0.447 1.00 4.31 H new ATOM 396 N ASN A 26 19.009 14.991 6.662 1.00 71.24 N ATOM 397 CA ASN A 26 20.303 15.607 6.390 1.00 54.00 C ATOM 398 C ASN A 26 21.441 14.640 6.700 1.00 4.31 C ATOM 399 O ASN A 26 21.216 13.451 6.927 1.00 23.23 O ATOM 400 CB ASN A 26 20.465 16.886 7.215 1.00 61.54 C ATOM 401 CG ASN A 26 19.168 17.662 7.339 1.00 64.00 C ATOM 402 OD1 ASN A 26 18.305 17.325 8.150 1.00 64.14 O ATOM 403 ND2 ASN A 26 19.026 18.708 6.533 1.00 12.04 N ATOM 0 H ASN A 26 18.752 14.968 7.649 1.00 71.24 H new ATOM 0 HA ASN A 26 20.343 15.859 5.330 1.00 54.00 H new ATOM 0 HB2 ASN A 26 20.828 16.630 8.210 1.00 61.54 H new ATOM 0 HB3 ASN A 26 21.222 17.520 6.753 1.00 61.54 H new ATOM 0 HD21 ASN A 26 18.175 19.269 6.571 1.00 12.04 H new ATOM 0 HD22 ASN A 26 19.768 18.950 5.876 1.00 12.04 H new ATOM 410 N LEU A 27 22.664 15.159 6.708 1.00 24.13 N ATOM 411 CA LEU A 27 23.840 14.342 6.991 1.00 13.44 C ATOM 412 C LEU A 27 23.667 13.573 8.297 1.00 74.22 C ATOM 413 O LEU A 27 23.791 12.349 8.328 1.00 32.44 O ATOM 414 CB LEU A 27 25.090 15.221 7.066 1.00 14.30 C ATOM 415 CG LEU A 27 26.320 14.584 7.713 1.00 42.44 C ATOM 416 CD1 LEU A 27 27.575 14.927 6.924 1.00 12.03 C ATOM 417 CD2 LEU A 27 26.457 15.037 9.159 1.00 31.51 C ATOM 0 H LEU A 27 22.868 16.141 6.522 1.00 24.13 H new ATOM 0 HA LEU A 27 23.956 13.623 6.180 1.00 13.44 H new ATOM 0 HB2 LEU A 27 25.355 15.529 6.054 1.00 14.30 H new ATOM 0 HB3 LEU A 27 24.841 16.126 7.620 1.00 14.30 H new ATOM 0 HG LEU A 27 26.193 13.501 7.703 1.00 42.44 H new ATOM 0 HD11 LEU A 27 28.441 14.465 7.399 1.00 12.03 H new ATOM 0 HD12 LEU A 27 27.478 14.553 5.905 1.00 12.03 H new ATOM 0 HD13 LEU A 27 27.707 16.009 6.902 1.00 12.03 H new ATOM 0 HD21 LEU A 27 27.338 14.574 9.604 1.00 31.51 H new ATOM 0 HD22 LEU A 27 26.562 16.121 9.192 1.00 31.51 H new ATOM 0 HD23 LEU A 27 25.570 14.741 9.719 1.00 31.51 H new ATOM 429 N SER A 28 23.377 14.299 9.372 1.00 61.11 N ATOM 430 CA SER A 28 23.188 13.685 10.681 1.00 61.31 C ATOM 431 C SER A 28 22.040 12.680 10.649 1.00 65.11 C ATOM 432 O SER A 28 22.011 11.729 11.431 1.00 41.45 O ATOM 433 CB SER A 28 22.912 14.758 11.736 1.00 24.51 C ATOM 434 OG SER A 28 24.107 15.146 12.393 1.00 53.04 O ATOM 0 H SER A 28 23.268 15.313 9.362 1.00 61.11 H new ATOM 0 HA SER A 28 24.104 13.156 10.942 1.00 61.31 H new ATOM 0 HB2 SER A 28 22.454 15.627 11.264 1.00 24.51 H new ATOM 0 HB3 SER A 28 22.198 14.379 12.467 1.00 24.51 H new ATOM 0 HG SER A 28 23.904 15.834 13.061 1.00 53.04 H new ATOM 440 N SER A 29 21.097 12.898 9.739 1.00 55.01 N ATOM 441 CA SER A 29 19.944 12.015 9.606 1.00 31.33 C ATOM 442 C SER A 29 20.328 10.724 8.889 1.00 2.10 C ATOM 443 O SER A 29 19.854 9.642 9.237 1.00 22.30 O ATOM 444 CB SER A 29 18.820 12.719 8.845 1.00 54.42 C ATOM 445 OG SER A 29 18.563 14.003 9.387 1.00 12.13 O ATOM 0 H SER A 29 21.108 13.679 9.082 1.00 55.01 H new ATOM 0 HA SER A 29 19.593 11.764 10.607 1.00 31.33 H new ATOM 0 HB2 SER A 29 19.092 12.812 7.794 1.00 54.42 H new ATOM 0 HB3 SER A 29 17.914 12.115 8.888 1.00 54.42 H new ATOM 0 HG SER A 29 17.669 14.299 9.117 1.00 12.13 H new ATOM 451 N LEU A 30 21.190 10.847 7.886 1.00 60.33 N ATOM 452 CA LEU A 30 21.640 9.691 7.118 1.00 74.33 C ATOM 453 C LEU A 30 22.156 8.591 8.040 1.00 1.43 C ATOM 454 O LEU A 30 21.745 7.435 7.935 1.00 1.41 O ATOM 455 CB LEU A 30 22.735 10.103 6.133 1.00 24.40 C ATOM 456 CG LEU A 30 22.274 10.888 4.905 1.00 13.52 C ATOM 457 CD1 LEU A 30 23.378 11.813 4.417 1.00 63.55 C ATOM 458 CD2 LEU A 30 21.840 9.940 3.797 1.00 0.01 C ATOM 0 H LEU A 30 21.591 11.735 7.585 1.00 60.33 H new ATOM 0 HA LEU A 30 20.787 9.302 6.562 1.00 74.33 H new ATOM 0 HB2 LEU A 30 23.470 10.704 6.669 1.00 24.40 H new ATOM 0 HB3 LEU A 30 23.247 9.203 5.793 1.00 24.40 H new ATOM 0 HG LEU A 30 21.417 11.498 5.189 1.00 13.52 H new ATOM 0 HD11 LEU A 30 23.031 12.363 3.542 1.00 63.55 H new ATOM 0 HD12 LEU A 30 23.640 12.516 5.208 1.00 63.55 H new ATOM 0 HD13 LEU A 30 24.255 11.224 4.151 1.00 63.55 H new ATOM 0 HD21 LEU A 30 21.515 10.517 2.931 1.00 0.01 H new ATOM 0 HD22 LEU A 30 22.678 9.302 3.515 1.00 0.01 H new ATOM 0 HD23 LEU A 30 21.016 9.321 4.150 1.00 0.01 H new ATOM 470 N ILE A 31 23.057 8.960 8.945 1.00 40.13 N ATOM 471 CA ILE A 31 23.627 8.006 9.888 1.00 74.22 C ATOM 472 C ILE A 31 22.579 7.530 10.889 1.00 42.31 C ATOM 473 O ILE A 31 22.673 6.425 11.423 1.00 11.42 O ATOM 474 CB ILE A 31 24.815 8.614 10.655 1.00 2.15 C ATOM 475 CG1 ILE A 31 25.915 9.041 9.681 1.00 21.31 C ATOM 476 CG2 ILE A 31 25.356 7.618 11.670 1.00 21.21 C ATOM 477 CD1 ILE A 31 25.809 10.485 9.245 1.00 4.44 C ATOM 0 H ILE A 31 23.408 9.913 9.045 1.00 40.13 H new ATOM 0 HA ILE A 31 23.980 7.156 9.303 1.00 74.22 H new ATOM 0 HB ILE A 31 24.468 9.497 11.191 1.00 2.15 H new ATOM 0 HG12 ILE A 31 26.886 8.882 10.150 1.00 21.31 H new ATOM 0 HG13 ILE A 31 25.878 8.400 8.800 1.00 21.31 H new ATOM 0 HG21 ILE A 31 26.196 8.063 12.204 1.00 21.21 H new ATOM 0 HG22 ILE A 31 24.570 7.359 12.380 1.00 21.21 H new ATOM 0 HG23 ILE A 31 25.690 6.718 11.154 1.00 21.21 H new ATOM 0 HD11 ILE A 31 26.621 10.717 8.556 1.00 4.44 H new ATOM 0 HD12 ILE A 31 24.853 10.645 8.747 1.00 4.44 H new ATOM 0 HD13 ILE A 31 25.877 11.134 10.118 1.00 4.44 H new ATOM 489 N SER A 32 21.581 8.372 11.137 1.00 73.20 N ATOM 490 CA SER A 32 20.516 8.039 12.076 1.00 74.34 C ATOM 491 C SER A 32 19.853 6.717 11.698 1.00 11.25 C ATOM 492 O SER A 32 19.306 6.019 12.552 1.00 22.41 O ATOM 493 CB SER A 32 19.470 9.155 12.110 1.00 31.13 C ATOM 494 OG SER A 32 18.685 9.082 13.288 1.00 71.12 O ATOM 0 H SER A 32 21.488 9.289 10.701 1.00 73.20 H new ATOM 0 HA SER A 32 20.958 7.934 13.067 1.00 74.34 H new ATOM 0 HB2 SER A 32 19.966 10.124 12.059 1.00 31.13 H new ATOM 0 HB3 SER A 32 18.825 9.080 11.234 1.00 31.13 H new ATOM 0 HG SER A 32 18.025 9.807 13.287 1.00 71.12 H new ATOM 500 N ARG A 33 19.906 6.381 10.414 1.00 41.33 N ATOM 501 CA ARG A 33 19.310 5.145 9.922 1.00 24.20 C ATOM 502 C ARG A 33 20.389 4.164 9.471 1.00 34.42 C ATOM 503 O ARG A 33 20.128 3.260 8.678 1.00 53.20 O ATOM 504 CB ARG A 33 18.357 5.439 8.763 1.00 75.12 C ATOM 505 CG ARG A 33 17.433 6.619 9.018 1.00 31.34 C ATOM 506 CD ARG A 33 16.229 6.595 8.090 1.00 40.13 C ATOM 507 NE ARG A 33 15.222 5.630 8.523 1.00 64.20 N ATOM 508 CZ ARG A 33 14.392 5.839 9.539 1.00 43.54 C ATOM 509 NH1 ARG A 33 14.448 6.975 10.222 1.00 64.54 N ATOM 510 NH2 ARG A 33 13.503 4.913 9.873 1.00 62.24 N ATOM 0 H ARG A 33 20.356 6.948 9.695 1.00 41.33 H new ATOM 0 HA ARG A 33 18.748 4.692 10.739 1.00 24.20 H new ATOM 0 HB2 ARG A 33 18.941 5.634 7.864 1.00 75.12 H new ATOM 0 HB3 ARG A 33 17.754 4.553 8.566 1.00 75.12 H new ATOM 0 HG2 ARG A 33 17.095 6.601 10.054 1.00 31.34 H new ATOM 0 HG3 ARG A 33 17.983 7.550 8.878 1.00 31.34 H new ATOM 0 HD2 ARG A 33 15.784 7.589 8.048 1.00 40.13 H new ATOM 0 HD3 ARG A 33 16.555 6.349 7.079 1.00 40.13 H new ATOM 0 HE ARG A 33 15.152 4.747 8.017 1.00 64.20 H new ATOM 0 HH11 ARG A 33 15.129 7.690 9.967 1.00 64.54 H new ATOM 0 HH12 ARG A 33 13.810 7.133 11.002 1.00 64.54 H new ATOM 0 HH21 ARG A 33 13.456 4.039 9.350 1.00 62.24 H new ATOM 0 HH22 ARG A 33 12.866 5.075 10.653 1.00 62.24 H new ATOM 524 N GLY A 34 21.602 4.349 9.983 1.00 72.01 N ATOM 525 CA GLY A 34 22.701 3.474 9.621 1.00 62.50 C ATOM 526 C GLY A 34 23.158 3.677 8.190 1.00 11.51 C ATOM 527 O GLY A 34 23.374 2.713 7.457 1.00 22.11 O ATOM 0 H GLY A 34 21.843 5.089 10.642 1.00 72.01 H new ATOM 0 HA2 GLY A 34 23.539 3.651 10.295 1.00 62.50 H new ATOM 0 HA3 GLY A 34 22.395 2.437 9.758 1.00 62.50 H new ATOM 531 N ALA A 35 23.304 4.937 7.791 1.00 75.32 N ATOM 532 CA ALA A 35 23.738 5.264 6.438 1.00 35.14 C ATOM 533 C ALA A 35 24.759 6.396 6.448 1.00 25.35 C ATOM 534 O ALA A 35 24.471 7.503 6.905 1.00 33.32 O ATOM 535 CB ALA A 35 22.541 5.638 5.576 1.00 1.21 C ATOM 0 H ALA A 35 23.128 5.747 8.385 1.00 75.32 H new ATOM 0 HA ALA A 35 24.217 4.382 6.013 1.00 35.14 H new ATOM 0 HB1 ALA A 35 22.880 5.880 4.569 1.00 1.21 H new ATOM 0 HB2 ALA A 35 21.847 4.799 5.534 1.00 1.21 H new ATOM 0 HB3 ALA A 35 22.038 6.504 6.007 1.00 1.21 H new ATOM 541 N LEU A 36 25.955 6.112 5.943 1.00 33.32 N ATOM 542 CA LEU A 36 27.021 7.106 5.895 1.00 51.34 C ATOM 543 C LEU A 36 26.801 8.084 4.745 1.00 65.14 C ATOM 544 O LEU A 36 26.297 7.710 3.687 1.00 72.11 O ATOM 545 CB LEU A 36 28.379 6.420 5.743 1.00 23.52 C ATOM 546 CG LEU A 36 29.517 6.989 6.591 1.00 65.12 C ATOM 547 CD1 LEU A 36 29.827 8.419 6.178 1.00 53.54 C ATOM 548 CD2 LEU A 36 29.165 6.923 8.070 1.00 43.32 C ATOM 0 H LEU A 36 26.210 5.201 5.561 1.00 33.32 H new ATOM 0 HA LEU A 36 27.006 7.664 6.831 1.00 51.34 H new ATOM 0 HB2 LEU A 36 28.260 5.365 5.991 1.00 23.52 H new ATOM 0 HB3 LEU A 36 28.674 6.470 4.695 1.00 23.52 H new ATOM 0 HG LEU A 36 30.407 6.383 6.423 1.00 65.12 H new ATOM 0 HD11 LEU A 36 30.639 8.807 6.792 1.00 53.54 H new ATOM 0 HD12 LEU A 36 30.124 8.439 5.129 1.00 53.54 H new ATOM 0 HD13 LEU A 36 28.940 9.038 6.316 1.00 53.54 H new ATOM 0 HD21 LEU A 36 29.986 7.332 8.658 1.00 43.32 H new ATOM 0 HD22 LEU A 36 28.261 7.504 8.255 1.00 43.32 H new ATOM 0 HD23 LEU A 36 28.995 5.886 8.357 1.00 43.32 H new ATOM 560 N ASN A 37 27.186 9.338 4.959 1.00 23.11 N ATOM 561 CA ASN A 37 27.033 10.369 3.940 1.00 42.44 C ATOM 562 C ASN A 37 27.635 9.916 2.613 1.00 52.52 C ATOM 563 O ASN A 37 26.923 9.747 1.623 1.00 63.44 O ATOM 564 CB ASN A 37 27.698 11.670 4.396 1.00 33.33 C ATOM 565 CG ASN A 37 26.944 12.900 3.927 1.00 24.44 C ATOM 566 OD1 ASN A 37 27.201 13.422 2.843 1.00 52.24 O ATOM 567 ND2 ASN A 37 26.009 13.368 4.746 1.00 62.05 N ATOM 0 H ASN A 37 27.606 9.664 5.829 1.00 23.11 H new ATOM 0 HA ASN A 37 25.967 10.545 3.795 1.00 42.44 H new ATOM 0 HB2 ASN A 37 27.763 11.680 5.484 1.00 33.33 H new ATOM 0 HB3 ASN A 37 28.719 11.706 4.016 1.00 33.33 H new ATOM 0 HD21 ASN A 37 25.469 14.193 4.485 1.00 62.05 H new ATOM 0 HD22 ASN A 37 25.830 12.902 5.636 1.00 62.05 H new ATOM 574 N ASP A 38 28.949 9.722 2.601 1.00 11.21 N ATOM 575 CA ASP A 38 29.647 9.287 1.397 1.00 51.21 C ATOM 576 C ASP A 38 29.647 7.766 1.289 1.00 71.54 C ATOM 577 O ASP A 38 30.505 7.093 1.860 1.00 62.32 O ATOM 578 CB ASP A 38 31.084 9.811 1.397 1.00 31.12 C ATOM 579 CG ASP A 38 31.843 9.418 2.650 1.00 51.45 C ATOM 580 OD1 ASP A 38 31.548 9.984 3.724 1.00 65.52 O ATOM 581 OD2 ASP A 38 32.731 8.545 2.556 1.00 54.44 O ATOM 0 H ASP A 38 29.552 9.859 3.412 1.00 11.21 H new ATOM 0 HA ASP A 38 29.120 9.695 0.534 1.00 51.21 H new ATOM 0 HB2 ASP A 38 31.608 9.426 0.522 1.00 31.12 H new ATOM 0 HB3 ASP A 38 31.072 10.897 1.309 1.00 31.12 H new ATOM 586 N ASP A 39 28.679 7.230 0.553 1.00 32.03 N ATOM 587 CA ASP A 39 28.567 5.788 0.370 1.00 32.40 C ATOM 588 C ASP A 39 27.369 5.443 -0.510 1.00 30.05 C ATOM 589 O ASP A 39 27.430 4.525 -1.328 1.00 60.32 O ATOM 590 CB ASP A 39 28.439 5.088 1.724 1.00 12.33 C ATOM 591 CG ASP A 39 28.028 3.635 1.589 1.00 15.40 C ATOM 592 OD1 ASP A 39 28.433 2.993 0.597 1.00 1.43 O ATOM 593 OD2 ASP A 39 27.301 3.140 2.475 1.00 12.03 O ATOM 0 H ASP A 39 27.961 7.773 0.074 1.00 32.03 H new ATOM 0 HA ASP A 39 29.472 5.439 -0.126 1.00 32.40 H new ATOM 0 HB2 ASP A 39 29.392 5.145 2.251 1.00 12.33 H new ATOM 0 HB3 ASP A 39 27.705 5.615 2.334 1.00 12.33 H new ATOM 598 N LEU A 40 26.280 6.184 -0.335 1.00 5.05 N ATOM 599 CA LEU A 40 25.067 5.957 -1.112 1.00 30.43 C ATOM 600 C LEU A 40 25.375 5.921 -2.605 1.00 43.51 C ATOM 601 O LEU A 40 25.898 6.886 -3.164 1.00 72.21 O ATOM 602 CB LEU A 40 24.037 7.049 -0.817 1.00 62.15 C ATOM 603 CG LEU A 40 22.590 6.582 -0.660 1.00 32.22 C ATOM 604 CD1 LEU A 40 22.458 5.643 0.529 1.00 24.41 C ATOM 605 CD2 LEU A 40 21.658 7.775 -0.505 1.00 22.02 C ATOM 0 H LEU A 40 26.213 6.947 0.338 1.00 5.05 H new ATOM 0 HA LEU A 40 24.655 4.990 -0.822 1.00 30.43 H new ATOM 0 HB2 LEU A 40 24.333 7.562 0.098 1.00 62.15 H new ATOM 0 HB3 LEU A 40 24.075 7.784 -1.621 1.00 62.15 H new ATOM 0 HG LEU A 40 22.305 6.038 -1.560 1.00 32.22 H new ATOM 0 HD11 LEU A 40 21.421 5.321 0.625 1.00 24.41 H new ATOM 0 HD12 LEU A 40 23.096 4.772 0.377 1.00 24.41 H new ATOM 0 HD13 LEU A 40 22.762 6.162 1.438 1.00 24.41 H new ATOM 0 HD21 LEU A 40 20.632 7.423 -0.394 1.00 22.02 H new ATOM 0 HD22 LEU A 40 21.943 8.347 0.378 1.00 22.02 H new ATOM 0 HD23 LEU A 40 21.731 8.410 -1.388 1.00 22.02 H new ATOM 617 N SER A 41 25.046 4.804 -3.246 1.00 4.41 N ATOM 618 CA SER A 41 25.290 4.643 -4.675 1.00 34.24 C ATOM 619 C SER A 41 24.052 4.094 -5.378 1.00 31.24 C ATOM 620 O SER A 41 24.083 3.799 -6.572 1.00 54.14 O ATOM 621 CB SER A 41 26.479 3.710 -4.909 1.00 21.54 C ATOM 622 OG SER A 41 27.272 4.157 -5.995 1.00 21.54 O ATOM 0 H SER A 41 24.610 3.997 -2.799 1.00 4.41 H new ATOM 0 HA SER A 41 25.519 5.623 -5.092 1.00 34.24 H new ATOM 0 HB2 SER A 41 27.088 3.659 -4.007 1.00 21.54 H new ATOM 0 HB3 SER A 41 26.119 2.701 -5.108 1.00 21.54 H new ATOM 0 HG SER A 41 28.026 3.545 -6.123 1.00 21.54 H new ATOM 628 N SER A 42 22.963 3.959 -4.627 1.00 4.13 N ATOM 629 CA SER A 42 21.715 3.442 -5.176 1.00 23.04 C ATOM 630 C SER A 42 20.516 3.984 -4.403 1.00 44.03 C ATOM 631 O SER A 42 20.611 4.272 -3.211 1.00 21.45 O ATOM 632 CB SER A 42 21.712 1.913 -5.137 1.00 72.55 C ATOM 633 OG SER A 42 20.391 1.408 -5.051 1.00 75.40 O ATOM 0 H SER A 42 22.920 4.201 -3.637 1.00 4.13 H new ATOM 0 HA SER A 42 21.637 3.773 -6.212 1.00 23.04 H new ATOM 0 HB2 SER A 42 22.197 1.522 -6.032 1.00 72.55 H new ATOM 0 HB3 SER A 42 22.293 1.567 -4.283 1.00 72.55 H new ATOM 0 HG SER A 42 20.416 0.429 -5.029 1.00 75.40 H new ATOM 639 N ALA A 43 19.389 4.121 -5.093 1.00 72.42 N ATOM 640 CA ALA A 43 18.170 4.626 -4.473 1.00 63.11 C ATOM 641 C ALA A 43 16.931 4.056 -5.154 1.00 73.20 C ATOM 642 O ALA A 43 16.780 4.153 -6.372 1.00 13.41 O ATOM 643 CB ALA A 43 18.147 6.147 -4.518 1.00 30.44 C ATOM 0 H ALA A 43 19.295 3.889 -6.082 1.00 72.42 H new ATOM 0 HA ALA A 43 18.160 4.304 -3.432 1.00 63.11 H new ATOM 0 HB1 ALA A 43 17.231 6.511 -4.052 1.00 30.44 H new ATOM 0 HB2 ALA A 43 19.009 6.540 -3.980 1.00 30.44 H new ATOM 0 HB3 ALA A 43 18.184 6.481 -5.555 1.00 30.44 H new ATOM 649 N ARG A 44 16.047 3.460 -4.360 1.00 55.15 N ATOM 650 CA ARG A 44 14.821 2.873 -4.888 1.00 32.53 C ATOM 651 C ARG A 44 13.656 3.852 -4.775 1.00 22.10 C ATOM 652 O ARG A 44 13.300 4.286 -3.679 1.00 74.53 O ATOM 653 CB ARG A 44 14.488 1.579 -4.141 1.00 52.42 C ATOM 654 CG ARG A 44 14.495 0.345 -5.028 1.00 4.01 C ATOM 655 CD ARG A 44 14.467 -0.933 -4.204 1.00 52.11 C ATOM 656 NE ARG A 44 13.566 -1.931 -4.774 1.00 30.31 N ATOM 657 CZ ARG A 44 12.250 -1.923 -4.592 1.00 22.00 C ATOM 658 NH1 ARG A 44 11.685 -0.973 -3.860 1.00 32.11 N ATOM 659 NH2 ARG A 44 11.497 -2.866 -5.143 1.00 70.13 N ATOM 0 H ARG A 44 16.157 3.371 -3.350 1.00 55.15 H new ATOM 0 HA ARG A 44 14.981 2.646 -5.942 1.00 32.53 H new ATOM 0 HB2 ARG A 44 15.207 1.440 -3.334 1.00 52.42 H new ATOM 0 HB3 ARG A 44 13.506 1.679 -3.679 1.00 52.42 H new ATOM 0 HG2 ARG A 44 13.632 0.369 -5.694 1.00 4.01 H new ATOM 0 HG3 ARG A 44 15.384 0.354 -5.658 1.00 4.01 H new ATOM 0 HD2 ARG A 44 15.474 -1.347 -4.142 1.00 52.11 H new ATOM 0 HD3 ARG A 44 14.154 -0.701 -3.186 1.00 52.11 H new ATOM 0 HE ARG A 44 13.969 -2.675 -5.343 1.00 30.31 H new ATOM 0 HH11 ARG A 44 12.261 -0.246 -3.435 1.00 32.11 H new ATOM 0 HH12 ARG A 44 10.674 -0.969 -3.722 1.00 32.11 H new ATOM 0 HH21 ARG A 44 11.928 -3.598 -5.707 1.00 70.13 H new ATOM 0 HH22 ARG A 44 10.487 -2.859 -5.003 1.00 70.13 H new ATOM 673 N VAL A 45 13.067 4.197 -5.916 1.00 22.14 N ATOM 674 CA VAL A 45 11.943 5.124 -5.945 1.00 53.54 C ATOM 675 C VAL A 45 11.062 4.881 -7.166 1.00 11.32 C ATOM 676 O VAL A 45 11.208 5.524 -8.206 1.00 10.13 O ATOM 677 CB VAL A 45 12.422 6.588 -5.956 1.00 4.04 C ATOM 678 CG1 VAL A 45 13.482 6.795 -7.027 1.00 3.33 C ATOM 679 CG2 VAL A 45 11.248 7.532 -6.166 1.00 61.22 C ATOM 0 H VAL A 45 13.350 3.848 -6.832 1.00 22.14 H new ATOM 0 HA VAL A 45 11.363 4.946 -5.039 1.00 53.54 H new ATOM 0 HB VAL A 45 12.869 6.813 -4.988 1.00 4.04 H new ATOM 0 HG11 VAL A 45 13.808 7.835 -7.020 1.00 3.33 H new ATOM 0 HG12 VAL A 45 14.334 6.146 -6.826 1.00 3.33 H new ATOM 0 HG13 VAL A 45 13.064 6.553 -8.004 1.00 3.33 H new ATOM 0 HG21 VAL A 45 11.605 8.562 -6.171 1.00 61.22 H new ATOM 0 HG22 VAL A 45 10.768 7.310 -7.119 1.00 61.22 H new ATOM 0 HG23 VAL A 45 10.528 7.402 -5.358 1.00 61.22 H new ATOM 689 N PRO A 46 10.124 3.931 -7.039 1.00 11.03 N ATOM 690 CA PRO A 46 9.200 3.581 -8.121 1.00 55.33 C ATOM 691 C PRO A 46 8.184 4.685 -8.395 1.00 53.13 C ATOM 692 O PRO A 46 8.102 5.664 -7.654 1.00 14.31 O ATOM 693 CB PRO A 46 8.497 2.327 -7.597 1.00 22.55 C ATOM 694 CG PRO A 46 8.589 2.433 -6.113 1.00 40.25 C ATOM 695 CD PRO A 46 9.893 3.125 -5.828 1.00 42.10 C ATOM 0 HA PRO A 46 9.720 3.431 -9.067 1.00 55.33 H new ATOM 0 HB2 PRO A 46 7.459 2.288 -7.927 1.00 22.55 H new ATOM 0 HB3 PRO A 46 8.982 1.421 -7.960 1.00 22.55 H new ATOM 0 HG2 PRO A 46 7.750 3.000 -5.709 1.00 40.25 H new ATOM 0 HG3 PRO A 46 8.561 1.447 -5.649 1.00 40.25 H new ATOM 0 HD2 PRO A 46 9.830 3.749 -4.936 1.00 42.10 H new ATOM 0 HD3 PRO A 46 10.699 2.410 -5.661 1.00 42.10 H new ATOM 703 N SER A 47 7.411 4.520 -9.464 1.00 44.15 N ATOM 704 CA SER A 47 6.403 5.505 -9.838 1.00 73.31 C ATOM 705 C SER A 47 5.505 5.840 -8.651 1.00 2.31 C ATOM 706 O SER A 47 5.098 4.958 -7.897 1.00 72.51 O ATOM 707 CB SER A 47 5.556 4.983 -11.001 1.00 20.35 C ATOM 708 OG SER A 47 6.275 4.035 -11.770 1.00 64.21 O ATOM 0 H SER A 47 7.464 3.713 -10.086 1.00 44.15 H new ATOM 0 HA SER A 47 6.917 6.414 -10.151 1.00 73.31 H new ATOM 0 HB2 SER A 47 4.644 4.527 -10.615 1.00 20.35 H new ATOM 0 HB3 SER A 47 5.252 5.815 -11.636 1.00 20.35 H new ATOM 0 HG SER A 47 5.712 3.716 -12.506 1.00 64.21 H new ATOM 714 N GLY A 48 5.201 7.125 -8.491 1.00 61.14 N ATOM 715 CA GLY A 48 4.354 7.556 -7.395 1.00 2.04 C ATOM 716 C GLY A 48 5.151 8.110 -6.230 1.00 30.20 C ATOM 717 O GLY A 48 4.782 7.922 -5.070 1.00 73.30 O ATOM 0 H GLY A 48 5.527 7.875 -9.101 1.00 61.14 H new ATOM 0 HA2 GLY A 48 3.662 8.318 -7.753 1.00 2.04 H new ATOM 0 HA3 GLY A 48 3.752 6.714 -7.052 1.00 2.04 H new ATOM 721 N LEU A 49 6.248 8.793 -6.538 1.00 11.15 N ATOM 722 CA LEU A 49 7.101 9.375 -5.507 1.00 51.10 C ATOM 723 C LEU A 49 8.206 10.222 -6.129 1.00 40.34 C ATOM 724 O LEU A 49 8.826 9.825 -7.116 1.00 74.51 O ATOM 725 CB LEU A 49 7.714 8.272 -4.642 1.00 12.41 C ATOM 726 CG LEU A 49 8.082 8.668 -3.212 1.00 3.33 C ATOM 727 CD1 LEU A 49 8.041 7.456 -2.295 1.00 34.23 C ATOM 728 CD2 LEU A 49 9.457 9.319 -3.176 1.00 3.30 C ATOM 0 H LEU A 49 6.568 8.957 -7.493 1.00 11.15 H new ATOM 0 HA LEU A 49 6.484 10.019 -4.880 1.00 51.10 H new ATOM 0 HB2 LEU A 49 7.012 7.440 -4.598 1.00 12.41 H new ATOM 0 HB3 LEU A 49 8.612 7.905 -5.139 1.00 12.41 H new ATOM 0 HG LEU A 49 7.349 9.392 -2.856 1.00 3.33 H new ATOM 0 HD11 LEU A 49 8.306 7.757 -1.282 1.00 34.23 H new ATOM 0 HD12 LEU A 49 7.037 7.032 -2.297 1.00 34.23 H new ATOM 0 HD13 LEU A 49 8.751 6.708 -2.648 1.00 34.23 H new ATOM 0 HD21 LEU A 49 9.702 9.594 -2.150 1.00 3.30 H new ATOM 0 HD22 LEU A 49 10.202 8.617 -3.551 1.00 3.30 H new ATOM 0 HD23 LEU A 49 9.453 10.212 -3.800 1.00 3.30 H new ATOM 740 N ARG A 50 8.449 11.391 -5.545 1.00 31.10 N ATOM 741 CA ARG A 50 9.480 12.294 -6.042 1.00 22.14 C ATOM 742 C ARG A 50 10.433 12.699 -4.921 1.00 43.31 C ATOM 743 O ARG A 50 10.006 12.992 -3.803 1.00 61.24 O ATOM 744 CB ARG A 50 8.843 13.540 -6.659 1.00 72.23 C ATOM 745 CG ARG A 50 9.849 14.493 -7.283 1.00 10.33 C ATOM 746 CD ARG A 50 9.373 15.935 -7.203 1.00 4.51 C ATOM 747 NE ARG A 50 9.845 16.731 -8.334 1.00 31.45 N ATOM 748 CZ ARG A 50 9.674 18.044 -8.430 1.00 50.41 C ATOM 749 NH1 ARG A 50 9.047 18.707 -7.468 1.00 55.13 N ATOM 750 NH2 ARG A 50 10.132 18.698 -9.490 1.00 52.12 N ATOM 0 H ARG A 50 7.946 11.735 -4.727 1.00 31.10 H new ATOM 0 HA ARG A 50 10.049 11.768 -6.809 1.00 22.14 H new ATOM 0 HB2 ARG A 50 8.126 13.232 -7.420 1.00 72.23 H new ATOM 0 HB3 ARG A 50 8.282 14.070 -5.889 1.00 72.23 H new ATOM 0 HG2 ARG A 50 10.808 14.396 -6.774 1.00 10.33 H new ATOM 0 HG3 ARG A 50 10.013 14.220 -8.325 1.00 10.33 H new ATOM 0 HD2 ARG A 50 8.284 15.956 -7.174 1.00 4.51 H new ATOM 0 HD3 ARG A 50 9.725 16.382 -6.273 1.00 4.51 H new ATOM 0 HE ARG A 50 10.332 16.252 -9.091 1.00 31.45 H new ATOM 0 HH11 ARG A 50 8.694 18.208 -6.651 1.00 55.13 H new ATOM 0 HH12 ARG A 50 8.917 19.716 -7.545 1.00 55.13 H new ATOM 0 HH21 ARG A 50 10.616 18.192 -10.232 1.00 52.12 H new ATOM 0 HH22 ARG A 50 10.000 19.707 -9.563 1.00 52.12 H new ATOM 764 N LEU A 51 11.726 12.714 -5.227 1.00 52.15 N ATOM 765 CA LEU A 51 12.740 13.083 -4.246 1.00 45.24 C ATOM 766 C LEU A 51 13.763 14.038 -4.854 1.00 1.13 C ATOM 767 O LEU A 51 13.961 14.060 -6.068 1.00 70.20 O ATOM 768 CB LEU A 51 13.445 11.833 -3.717 1.00 31.20 C ATOM 769 CG LEU A 51 14.107 10.940 -4.767 1.00 4.30 C ATOM 770 CD1 LEU A 51 15.613 11.152 -4.774 1.00 23.21 C ATOM 771 CD2 LEU A 51 13.774 9.478 -4.511 1.00 75.21 C ATOM 0 H LEU A 51 12.097 12.475 -6.147 1.00 52.15 H new ATOM 0 HA LEU A 51 12.243 13.590 -3.419 1.00 45.24 H new ATOM 0 HB2 LEU A 51 14.207 12.145 -3.002 1.00 31.20 H new ATOM 0 HB3 LEU A 51 12.718 11.235 -3.167 1.00 31.20 H new ATOM 0 HG LEU A 51 13.717 11.214 -5.747 1.00 4.30 H new ATOM 0 HD11 LEU A 51 16.068 10.508 -5.527 1.00 23.21 H new ATOM 0 HD12 LEU A 51 15.833 12.194 -5.007 1.00 23.21 H new ATOM 0 HD13 LEU A 51 16.020 10.906 -3.793 1.00 23.21 H new ATOM 0 HD21 LEU A 51 14.254 8.858 -5.268 1.00 75.21 H new ATOM 0 HD22 LEU A 51 14.135 9.190 -3.524 1.00 75.21 H new ATOM 0 HD23 LEU A 51 12.694 9.337 -4.558 1.00 75.21 H new ATOM 783 N GLU A 52 14.411 14.824 -4.000 1.00 2.42 N ATOM 784 CA GLU A 52 15.415 15.780 -4.453 1.00 53.23 C ATOM 785 C GLU A 52 16.678 15.687 -3.603 1.00 1.44 C ATOM 786 O GLU A 52 16.636 15.873 -2.386 1.00 61.22 O ATOM 787 CB GLU A 52 14.855 17.204 -4.402 1.00 24.51 C ATOM 788 CG GLU A 52 13.752 17.461 -5.414 1.00 71.22 C ATOM 789 CD GLU A 52 12.606 18.268 -4.835 1.00 72.34 C ATOM 790 OE1 GLU A 52 12.742 19.505 -4.735 1.00 74.15 O ATOM 791 OE2 GLU A 52 11.573 17.661 -4.483 1.00 33.04 O ATOM 0 H GLU A 52 14.259 14.818 -2.991 1.00 2.42 H new ATOM 0 HA GLU A 52 15.673 15.536 -5.483 1.00 53.23 H new ATOM 0 HB2 GLU A 52 14.470 17.398 -3.401 1.00 24.51 H new ATOM 0 HB3 GLU A 52 15.667 17.911 -4.574 1.00 24.51 H new ATOM 0 HG2 GLU A 52 14.167 17.990 -6.272 1.00 71.22 H new ATOM 0 HG3 GLU A 52 13.371 16.508 -5.781 1.00 71.22 H new ATOM 798 N VAL A 53 17.802 15.398 -4.252 1.00 14.54 N ATOM 799 CA VAL A 53 19.078 15.281 -3.556 1.00 53.22 C ATOM 800 C VAL A 53 19.790 16.627 -3.485 1.00 5.01 C ATOM 801 O VAL A 53 19.777 17.401 -4.443 1.00 34.43 O ATOM 802 CB VAL A 53 20.001 14.260 -4.246 1.00 61.41 C ATOM 803 CG1 VAL A 53 21.242 14.007 -3.403 1.00 71.44 C ATOM 804 CG2 VAL A 53 19.254 12.962 -4.513 1.00 31.44 C ATOM 0 H VAL A 53 17.855 15.241 -5.258 1.00 14.54 H new ATOM 0 HA VAL A 53 18.858 14.936 -2.546 1.00 53.22 H new ATOM 0 HB VAL A 53 20.319 14.673 -5.203 1.00 61.41 H new ATOM 0 HG11 VAL A 53 21.882 13.283 -3.907 1.00 71.44 H new ATOM 0 HG12 VAL A 53 21.787 14.941 -3.268 1.00 71.44 H new ATOM 0 HG13 VAL A 53 20.947 13.615 -2.430 1.00 71.44 H new ATOM 0 HG21 VAL A 53 19.922 12.252 -5.001 1.00 31.44 H new ATOM 0 HG22 VAL A 53 18.905 12.542 -3.570 1.00 31.44 H new ATOM 0 HG23 VAL A 53 18.400 13.160 -5.160 1.00 31.44 H new ATOM 814 N PHE A 54 20.414 16.901 -2.344 1.00 32.54 N ATOM 815 CA PHE A 54 21.133 18.154 -2.146 1.00 74.14 C ATOM 816 C PHE A 54 22.536 17.897 -1.606 1.00 21.32 C ATOM 817 O PHE A 54 22.735 17.783 -0.397 1.00 12.14 O ATOM 818 CB PHE A 54 20.362 19.062 -1.186 1.00 4.42 C ATOM 819 CG PHE A 54 18.880 19.072 -1.429 1.00 2.33 C ATOM 820 CD1 PHE A 54 18.338 19.829 -2.455 1.00 11.35 C ATOM 821 CD2 PHE A 54 18.029 18.325 -0.631 1.00 22.24 C ATOM 822 CE1 PHE A 54 16.974 19.840 -2.681 1.00 44.30 C ATOM 823 CE2 PHE A 54 16.665 18.332 -0.853 1.00 21.45 C ATOM 824 CZ PHE A 54 16.137 19.091 -1.878 1.00 51.21 C ATOM 0 H PHE A 54 20.436 16.271 -1.542 1.00 32.54 H new ATOM 0 HA PHE A 54 21.221 18.650 -3.112 1.00 74.14 H new ATOM 0 HB2 PHE A 54 20.552 18.739 -0.162 1.00 4.42 H new ATOM 0 HB3 PHE A 54 20.743 20.079 -1.276 1.00 4.42 H new ATOM 0 HD1 PHE A 54 18.988 20.417 -3.085 1.00 11.35 H new ATOM 0 HD2 PHE A 54 18.436 17.731 0.174 1.00 22.24 H new ATOM 0 HE1 PHE A 54 16.564 20.434 -3.485 1.00 44.30 H new ATOM 0 HE2 PHE A 54 16.012 17.744 -0.225 1.00 21.45 H new ATOM 0 HZ PHE A 54 15.071 19.099 -2.052 1.00 51.21 H new ATOM 834 N GLN A 55 23.505 17.806 -2.511 1.00 71.41 N ATOM 835 CA GLN A 55 24.890 17.560 -2.125 1.00 54.54 C ATOM 836 C GLN A 55 25.373 18.614 -1.134 1.00 63.04 C ATOM 837 O GLN A 55 26.100 18.305 -0.189 1.00 41.14 O ATOM 838 CB GLN A 55 25.792 17.553 -3.361 1.00 14.02 C ATOM 839 CG GLN A 55 27.050 16.718 -3.190 1.00 61.42 C ATOM 840 CD GLN A 55 28.008 16.860 -4.357 1.00 33.03 C ATOM 841 OE1 GLN A 55 27.695 17.509 -5.356 1.00 25.05 O ATOM 842 NE2 GLN A 55 29.182 16.253 -4.236 1.00 64.43 N ATOM 0 H GLN A 55 23.357 17.899 -3.516 1.00 71.41 H new ATOM 0 HA GLN A 55 24.939 16.584 -1.643 1.00 54.54 H new ATOM 0 HB2 GLN A 55 25.226 17.173 -4.212 1.00 14.02 H new ATOM 0 HB3 GLN A 55 26.076 18.578 -3.600 1.00 14.02 H new ATOM 0 HG2 GLN A 55 27.556 17.014 -2.271 1.00 61.42 H new ATOM 0 HG3 GLN A 55 26.773 15.670 -3.078 1.00 61.42 H new ATOM 0 HE21 GLN A 55 29.399 15.726 -3.390 1.00 64.43 H new ATOM 0 HE22 GLN A 55 29.867 16.314 -4.989 1.00 64.43 H new ATOM 851 N HIS A 56 24.966 19.860 -1.356 1.00 72.44 N ATOM 852 CA HIS A 56 25.358 20.960 -0.482 1.00 72.53 C ATOM 853 C HIS A 56 24.379 21.106 0.678 1.00 14.45 C ATOM 854 O HIS A 56 23.192 20.811 0.543 1.00 21.11 O ATOM 855 CB HIS A 56 25.430 22.266 -1.273 1.00 14.33 C ATOM 856 CG HIS A 56 26.694 22.421 -2.060 1.00 4.51 C ATOM 857 ND1 HIS A 56 27.408 23.600 -2.113 1.00 51.21 N ATOM 858 CD2 HIS A 56 27.374 21.537 -2.827 1.00 52.21 C ATOM 859 CE1 HIS A 56 28.470 23.435 -2.880 1.00 65.13 C ATOM 860 NE2 HIS A 56 28.473 22.191 -3.326 1.00 3.43 N ATOM 0 H HIS A 56 24.365 20.133 -2.134 1.00 72.44 H new ATOM 0 HA HIS A 56 26.344 20.736 -0.075 1.00 72.53 H new ATOM 0 HB2 HIS A 56 24.580 22.316 -1.953 1.00 14.33 H new ATOM 0 HB3 HIS A 56 25.336 23.105 -0.583 1.00 14.33 H new ATOM 0 HD2 HIS A 56 27.102 20.508 -3.012 1.00 52.21 H new ATOM 0 HE1 HIS A 56 29.210 24.189 -3.105 1.00 65.13 H new ATOM 0 HE2 HIS A 56 29.177 21.783 -3.941 1.00 3.43 H new ATOM 868 N ASN A 57 24.885 21.564 1.819 1.00 53.20 N ATOM 869 CA ASN A 57 24.055 21.749 3.004 1.00 74.12 C ATOM 870 C ASN A 57 23.432 23.141 3.020 1.00 53.50 C ATOM 871 O ASN A 57 23.819 24.015 2.245 1.00 71.43 O ATOM 872 CB ASN A 57 24.884 21.534 4.272 1.00 50.24 C ATOM 873 CG ASN A 57 24.049 21.020 5.429 1.00 40.35 C ATOM 874 OD1 ASN A 57 23.586 19.880 5.416 1.00 24.51 O ATOM 875 ND2 ASN A 57 23.852 21.863 6.436 1.00 23.20 N ATOM 0 H ASN A 57 25.866 21.814 1.948 1.00 53.20 H new ATOM 0 HA ASN A 57 23.253 21.012 2.973 1.00 74.12 H new ATOM 0 HB2 ASN A 57 25.685 20.825 4.063 1.00 50.24 H new ATOM 0 HB3 ASN A 57 25.356 22.474 4.558 1.00 50.24 H new ATOM 0 HD21 ASN A 57 23.297 21.574 7.242 1.00 23.20 H new ATOM 0 HD22 ASN A 57 24.256 22.799 6.404 1.00 23.20 H new ATOM 882 N ASN A 58 22.465 23.341 3.910 1.00 74.14 N ATOM 883 CA ASN A 58 21.788 24.627 4.027 1.00 14.32 C ATOM 884 C ASN A 58 21.028 24.961 2.747 1.00 12.21 C ATOM 885 O ASN A 58 20.639 26.108 2.524 1.00 33.14 O ATOM 886 CB ASN A 58 22.799 25.733 4.336 1.00 20.14 C ATOM 887 CG ASN A 58 22.164 26.918 5.037 1.00 54.42 C ATOM 888 OD1 ASN A 58 21.144 26.781 5.712 1.00 34.24 O ATOM 889 ND2 ASN A 58 22.765 28.091 4.878 1.00 5.51 N ATOM 0 H ASN A 58 22.133 22.629 4.560 1.00 74.14 H new ATOM 0 HA ASN A 58 21.072 24.559 4.846 1.00 14.32 H new ATOM 0 HB2 ASN A 58 23.596 25.329 4.961 1.00 20.14 H new ATOM 0 HB3 ASN A 58 23.261 26.069 3.408 1.00 20.14 H new ATOM 0 HD21 ASN A 58 22.383 28.925 5.324 1.00 5.51 H new ATOM 0 HD22 ASN A 58 23.609 28.159 4.309 1.00 5.51 H new ATOM 896 N PHE A 59 20.819 23.951 1.909 1.00 44.43 N ATOM 897 CA PHE A 59 20.106 24.137 0.650 1.00 4.13 C ATOM 898 C PHE A 59 20.683 25.312 -0.133 1.00 43.43 C ATOM 899 O PHE A 59 19.964 26.241 -0.502 1.00 0.33 O ATOM 900 CB PHE A 59 18.617 24.367 0.913 1.00 74.21 C ATOM 901 CG PHE A 59 17.824 23.096 1.021 1.00 30.41 C ATOM 902 CD1 PHE A 59 17.976 22.260 2.116 1.00 71.23 C ATOM 903 CD2 PHE A 59 16.927 22.736 0.028 1.00 43.12 C ATOM 904 CE1 PHE A 59 17.248 21.089 2.219 1.00 52.44 C ATOM 905 CE2 PHE A 59 16.196 21.567 0.125 1.00 2.24 C ATOM 906 CZ PHE A 59 16.358 20.742 1.221 1.00 14.34 C ATOM 0 H PHE A 59 21.133 22.995 2.079 1.00 44.43 H new ATOM 0 HA PHE A 59 20.228 23.232 0.055 1.00 4.13 H new ATOM 0 HB2 PHE A 59 18.503 24.937 1.835 1.00 74.21 H new ATOM 0 HB3 PHE A 59 18.204 24.976 0.109 1.00 74.21 H new ATOM 0 HD1 PHE A 59 18.671 22.526 2.898 1.00 71.23 H new ATOM 0 HD2 PHE A 59 16.798 23.376 -0.832 1.00 43.12 H new ATOM 0 HE1 PHE A 59 17.375 20.447 3.078 1.00 52.44 H new ATOM 0 HE2 PHE A 59 15.499 21.299 -0.655 1.00 2.24 H new ATOM 0 HZ PHE A 59 15.790 19.827 1.298 1.00 14.34 H new ATOM 916 N LYS A 60 21.987 25.265 -0.384 1.00 42.15 N ATOM 917 CA LYS A 60 22.663 26.324 -1.125 1.00 2.04 C ATOM 918 C LYS A 60 23.035 25.855 -2.528 1.00 0.13 C ATOM 919 O LYS A 60 22.532 26.378 -3.521 1.00 73.11 O ATOM 920 CB LYS A 60 23.920 26.775 -0.376 1.00 53.35 C ATOM 921 CG LYS A 60 24.798 27.721 -1.178 1.00 32.15 C ATOM 922 CD LYS A 60 25.961 26.988 -1.825 1.00 53.01 C ATOM 923 CE LYS A 60 27.287 27.669 -1.522 1.00 73.22 C ATOM 924 NZ LYS A 60 27.753 27.384 -0.137 1.00 15.23 N ATOM 0 H LYS A 60 22.597 24.504 -0.085 1.00 42.15 H new ATOM 0 HA LYS A 60 21.977 27.167 -1.213 1.00 2.04 H new ATOM 0 HB2 LYS A 60 23.624 27.265 0.551 1.00 53.35 H new ATOM 0 HB3 LYS A 60 24.504 25.897 -0.100 1.00 53.35 H new ATOM 0 HG2 LYS A 60 24.200 28.209 -1.948 1.00 32.15 H new ATOM 0 HG3 LYS A 60 25.179 28.506 -0.525 1.00 32.15 H new ATOM 0 HD2 LYS A 60 25.989 25.959 -1.466 1.00 53.01 H new ATOM 0 HD3 LYS A 60 25.811 26.945 -2.904 1.00 53.01 H new ATOM 0 HE2 LYS A 60 28.040 27.332 -2.235 1.00 73.22 H new ATOM 0 HE3 LYS A 60 27.181 28.746 -1.655 1.00 73.22 H new ATOM 0 HZ1 LYS A 60 28.659 27.866 0.030 1.00 15.23 H new ATOM 0 HZ2 LYS A 60 27.047 27.728 0.545 1.00 15.23 H new ATOM 0 HZ3 LYS A 60 27.879 26.359 -0.017 1.00 15.23 H new ATOM 938 N GLY A 61 23.919 24.865 -2.601 1.00 70.51 N ATOM 939 CA GLY A 61 24.342 24.341 -3.887 1.00 54.20 C ATOM 940 C GLY A 61 23.178 23.845 -4.722 1.00 32.01 C ATOM 941 O GLY A 61 22.055 23.733 -4.230 1.00 72.22 O ATOM 0 H GLY A 61 24.350 24.416 -1.793 1.00 70.51 H new ATOM 0 HA2 GLY A 61 24.874 25.119 -4.436 1.00 54.20 H new ATOM 0 HA3 GLY A 61 25.046 23.524 -3.729 1.00 54.20 H new ATOM 945 N VAL A 62 23.445 23.548 -5.990 1.00 0.22 N ATOM 946 CA VAL A 62 22.411 23.062 -6.895 1.00 61.14 C ATOM 947 C VAL A 62 21.670 21.873 -6.295 1.00 35.21 C ATOM 948 O VAL A 62 22.241 21.093 -5.533 1.00 34.24 O ATOM 949 CB VAL A 62 23.005 22.649 -8.255 1.00 71.03 C ATOM 950 CG1 VAL A 62 23.675 23.837 -8.928 1.00 41.13 C ATOM 951 CG2 VAL A 62 23.987 21.501 -8.081 1.00 22.34 C ATOM 0 H VAL A 62 24.369 23.636 -6.413 1.00 0.22 H new ATOM 0 HA VAL A 62 21.711 23.884 -7.046 1.00 61.14 H new ATOM 0 HB VAL A 62 22.193 22.308 -8.898 1.00 71.03 H new ATOM 0 HG11 VAL A 62 24.089 23.526 -9.887 1.00 41.13 H new ATOM 0 HG12 VAL A 62 22.940 24.626 -9.088 1.00 41.13 H new ATOM 0 HG13 VAL A 62 24.477 24.211 -8.291 1.00 41.13 H new ATOM 0 HG21 VAL A 62 24.397 21.222 -9.052 1.00 22.34 H new ATOM 0 HG22 VAL A 62 24.797 21.812 -7.421 1.00 22.34 H new ATOM 0 HG23 VAL A 62 23.472 20.645 -7.645 1.00 22.34 H new ATOM 961 N ARG A 63 20.394 21.740 -6.644 1.00 41.31 N ATOM 962 CA ARG A 63 19.573 20.646 -6.139 1.00 44.20 C ATOM 963 C ARG A 63 19.188 19.691 -7.265 1.00 22.12 C ATOM 964 O ARG A 63 18.940 20.114 -8.394 1.00 12.31 O ATOM 965 CB ARG A 63 18.313 21.194 -5.467 1.00 1.01 C ATOM 966 CG ARG A 63 17.450 22.040 -6.389 1.00 0.13 C ATOM 967 CD ARG A 63 16.248 22.614 -5.655 1.00 3.51 C ATOM 968 NE ARG A 63 16.436 24.022 -5.315 1.00 41.42 N ATOM 969 CZ ARG A 63 15.463 24.805 -4.863 1.00 10.40 C ATOM 970 NH1 ARG A 63 14.240 24.320 -4.697 1.00 4.13 N ATOM 971 NH2 ARG A 63 15.712 26.077 -4.576 1.00 21.44 N ATOM 0 H ARG A 63 19.907 22.377 -7.275 1.00 41.31 H new ATOM 0 HA ARG A 63 20.158 20.095 -5.403 1.00 44.20 H new ATOM 0 HB2 ARG A 63 17.720 20.360 -5.092 1.00 1.01 H new ATOM 0 HB3 ARG A 63 18.603 21.793 -4.604 1.00 1.01 H new ATOM 0 HG2 ARG A 63 18.047 22.853 -6.804 1.00 0.13 H new ATOM 0 HG3 ARG A 63 17.110 21.434 -7.229 1.00 0.13 H new ATOM 0 HD2 ARG A 63 15.359 22.507 -6.276 1.00 3.51 H new ATOM 0 HD3 ARG A 63 16.072 22.041 -4.744 1.00 3.51 H new ATOM 0 HE ARG A 63 17.365 24.426 -5.431 1.00 41.42 H new ATOM 0 HH11 ARG A 63 14.045 23.343 -4.917 1.00 4.13 H new ATOM 0 HH12 ARG A 63 13.495 24.924 -4.350 1.00 4.13 H new ATOM 0 HH21 ARG A 63 16.651 26.454 -4.703 1.00 21.44 H new ATOM 0 HH22 ARG A 63 14.964 26.677 -4.229 1.00 21.44 H new ATOM 985 N ASP A 64 19.141 18.401 -6.949 1.00 44.42 N ATOM 986 CA ASP A 64 18.786 17.386 -7.934 1.00 21.25 C ATOM 987 C ASP A 64 17.366 16.879 -7.703 1.00 31.21 C ATOM 988 O ASP A 64 16.695 17.290 -6.756 1.00 54.54 O ATOM 989 CB ASP A 64 19.773 16.219 -7.873 1.00 44.23 C ATOM 990 CG ASP A 64 20.501 16.008 -9.186 1.00 42.45 C ATOM 991 OD1 ASP A 64 19.823 15.891 -10.228 1.00 72.20 O ATOM 992 OD2 ASP A 64 21.749 15.960 -9.172 1.00 43.24 O ATOM 0 H ASP A 64 19.344 18.034 -6.019 1.00 44.42 H new ATOM 0 HA ASP A 64 18.834 17.842 -8.923 1.00 21.25 H new ATOM 0 HB2 ASP A 64 20.501 16.403 -7.083 1.00 44.23 H new ATOM 0 HB3 ASP A 64 19.238 15.308 -7.607 1.00 44.23 H new ATOM 997 N PHE A 65 16.914 15.984 -8.575 1.00 33.32 N ATOM 998 CA PHE A 65 15.572 15.422 -8.468 1.00 23.25 C ATOM 999 C PHE A 65 15.492 14.068 -9.166 1.00 63.34 C ATOM 1000 O PHE A 65 15.799 13.950 -10.353 1.00 3.11 O ATOM 1001 CB PHE A 65 14.545 16.381 -9.071 1.00 53.42 C ATOM 1002 CG PHE A 65 14.942 16.916 -10.417 1.00 41.04 C ATOM 1003 CD1 PHE A 65 15.727 18.053 -10.522 1.00 12.33 C ATOM 1004 CD2 PHE A 65 14.532 16.281 -11.578 1.00 53.04 C ATOM 1005 CE1 PHE A 65 16.093 18.548 -11.759 1.00 61.43 C ATOM 1006 CE2 PHE A 65 14.895 16.771 -12.819 1.00 23.51 C ATOM 1007 CZ PHE A 65 15.678 17.905 -12.909 1.00 70.22 C ATOM 0 H PHE A 65 17.457 15.632 -9.364 1.00 33.32 H new ATOM 0 HA PHE A 65 15.348 15.279 -7.411 1.00 23.25 H new ATOM 0 HB2 PHE A 65 13.588 15.866 -9.161 1.00 53.42 H new ATOM 0 HB3 PHE A 65 14.394 17.216 -8.387 1.00 53.42 H new ATOM 0 HD1 PHE A 65 16.057 18.558 -9.626 1.00 12.33 H new ATOM 0 HD2 PHE A 65 13.921 15.393 -11.513 1.00 53.04 H new ATOM 0 HE1 PHE A 65 16.703 19.437 -11.827 1.00 61.43 H new ATOM 0 HE2 PHE A 65 14.567 16.268 -13.716 1.00 23.51 H new ATOM 0 HZ PHE A 65 15.965 18.288 -13.877 1.00 70.22 H new ATOM 1017 N TYR A 66 15.079 13.048 -8.422 1.00 55.31 N ATOM 1018 CA TYR A 66 14.961 11.702 -8.968 1.00 72.51 C ATOM 1019 C TYR A 66 13.535 11.178 -8.824 1.00 21.24 C ATOM 1020 O TYR A 66 12.846 11.478 -7.848 1.00 31.50 O ATOM 1021 CB TYR A 66 15.937 10.756 -8.265 1.00 52.53 C ATOM 1022 CG TYR A 66 17.048 10.258 -9.161 1.00 61.02 C ATOM 1023 CD1 TYR A 66 16.769 9.705 -10.405 1.00 51.42 C ATOM 1024 CD2 TYR A 66 18.377 10.338 -8.764 1.00 11.44 C ATOM 1025 CE1 TYR A 66 17.781 9.248 -11.227 1.00 32.10 C ATOM 1026 CE2 TYR A 66 19.395 9.885 -9.579 1.00 63.23 C ATOM 1027 CZ TYR A 66 19.092 9.340 -10.810 1.00 3.32 C ATOM 1028 OH TYR A 66 20.104 8.886 -11.625 1.00 32.03 O ATOM 0 H TYR A 66 14.820 13.128 -7.439 1.00 55.31 H new ATOM 0 HA TYR A 66 15.207 11.745 -10.029 1.00 72.51 H new ATOM 0 HB2 TYR A 66 16.375 11.269 -7.409 1.00 52.53 H new ATOM 0 HB3 TYR A 66 15.384 9.901 -7.876 1.00 52.53 H new ATOM 0 HD1 TYR A 66 15.743 9.631 -10.735 1.00 51.42 H new ATOM 0 HD2 TYR A 66 18.618 10.762 -7.800 1.00 11.44 H new ATOM 0 HE1 TYR A 66 17.547 8.821 -12.191 1.00 32.10 H new ATOM 0 HE2 TYR A 66 20.423 9.957 -9.255 1.00 63.23 H new ATOM 0 HH TYR A 66 20.967 9.025 -11.183 1.00 32.03 H new ATOM 1038 N THR A 67 13.098 10.392 -9.803 1.00 22.22 N ATOM 1039 CA THR A 67 11.755 9.826 -9.787 1.00 24.41 C ATOM 1040 C THR A 67 11.746 8.416 -10.368 1.00 50.40 C ATOM 1041 O THR A 67 10.792 8.016 -11.035 1.00 41.23 O ATOM 1042 CB THR A 67 10.767 10.702 -10.579 1.00 71.10 C ATOM 1043 OG1 THR A 67 11.158 10.761 -11.955 1.00 64.22 O ATOM 1044 CG2 THR A 67 10.709 12.108 -10.003 1.00 14.55 C ATOM 0 H THR A 67 13.655 10.133 -10.617 1.00 22.22 H new ATOM 0 HA THR A 67 11.440 9.788 -8.744 1.00 24.41 H new ATOM 0 HB THR A 67 9.777 10.253 -10.502 1.00 71.10 H new ATOM 0 HG1 THR A 67 10.523 11.319 -12.452 1.00 64.22 H new ATOM 0 HG21 THR A 67 10.005 12.708 -10.579 1.00 14.55 H new ATOM 0 HG22 THR A 67 10.382 12.062 -8.964 1.00 14.55 H new ATOM 0 HG23 THR A 67 11.698 12.563 -10.053 1.00 14.55 H new ATOM 1052 N SER A 68 12.813 7.668 -10.110 1.00 24.52 N ATOM 1053 CA SER A 68 12.929 6.303 -10.610 1.00 70.23 C ATOM 1054 C SER A 68 14.144 5.604 -10.008 1.00 3.41 C ATOM 1055 O SER A 68 15.088 6.254 -9.559 1.00 3.53 O ATOM 1056 CB SER A 68 13.032 6.304 -12.137 1.00 32.13 C ATOM 1057 OG SER A 68 13.969 7.268 -12.584 1.00 51.20 O ATOM 0 H SER A 68 13.610 7.984 -9.557 1.00 24.52 H new ATOM 0 HA SER A 68 12.034 5.757 -10.313 1.00 70.23 H new ATOM 0 HB2 SER A 68 13.329 5.315 -12.485 1.00 32.13 H new ATOM 0 HB3 SER A 68 12.054 6.514 -12.570 1.00 32.13 H new ATOM 0 HG SER A 68 14.018 7.248 -13.563 1.00 51.20 H new ATOM 1063 N ASP A 69 14.113 4.276 -10.002 1.00 52.33 N ATOM 1064 CA ASP A 69 15.211 3.488 -9.456 1.00 64.24 C ATOM 1065 C ASP A 69 16.547 3.941 -10.038 1.00 10.23 C ATOM 1066 O ASP A 69 16.875 3.629 -11.182 1.00 21.11 O ATOM 1067 CB ASP A 69 14.993 2.002 -9.745 1.00 65.33 C ATOM 1068 CG ASP A 69 13.643 1.510 -9.264 1.00 14.35 C ATOM 1069 OD1 ASP A 69 12.619 1.911 -9.856 1.00 50.53 O ATOM 1070 OD2 ASP A 69 13.609 0.724 -8.294 1.00 70.13 O ATOM 0 H ASP A 69 13.339 3.723 -10.369 1.00 52.33 H new ATOM 0 HA ASP A 69 15.234 3.641 -8.377 1.00 64.24 H new ATOM 0 HB2 ASP A 69 15.079 1.827 -10.817 1.00 65.33 H new ATOM 0 HB3 ASP A 69 15.780 1.422 -9.263 1.00 65.33 H new ATOM 1075 N ALA A 70 17.313 4.680 -9.242 1.00 14.34 N ATOM 1076 CA ALA A 70 18.613 5.176 -9.677 1.00 35.23 C ATOM 1077 C ALA A 70 19.737 4.270 -9.187 1.00 63.23 C ATOM 1078 O ALA A 70 19.850 3.994 -7.993 1.00 72.14 O ATOM 1079 CB ALA A 70 18.827 6.599 -9.184 1.00 14.31 C ATOM 0 H ALA A 70 17.056 4.948 -8.292 1.00 14.34 H new ATOM 0 HA ALA A 70 18.629 5.175 -10.767 1.00 35.23 H new ATOM 0 HB1 ALA A 70 19.802 6.956 -9.516 1.00 14.31 H new ATOM 0 HB2 ALA A 70 18.047 7.245 -9.587 1.00 14.31 H new ATOM 0 HB3 ALA A 70 18.786 6.617 -8.095 1.00 14.31 H new ATOM 1085 N ALA A 71 20.567 3.809 -10.118 1.00 2.43 N ATOM 1086 CA ALA A 71 21.684 2.936 -9.780 1.00 71.53 C ATOM 1087 C ALA A 71 22.968 3.735 -9.586 1.00 53.24 C ATOM 1088 O ALA A 71 24.063 3.239 -9.846 1.00 44.12 O ATOM 1089 CB ALA A 71 21.874 1.882 -10.861 1.00 25.40 C ATOM 0 H ALA A 71 20.486 4.026 -11.111 1.00 2.43 H new ATOM 0 HA ALA A 71 21.452 2.439 -8.838 1.00 71.53 H new ATOM 0 HB1 ALA A 71 22.711 1.236 -10.596 1.00 25.40 H new ATOM 0 HB2 ALA A 71 20.968 1.283 -10.948 1.00 25.40 H new ATOM 0 HB3 ALA A 71 22.079 2.371 -11.813 1.00 25.40 H new ATOM 1095 N GLU A 72 22.824 4.975 -9.129 1.00 52.21 N ATOM 1096 CA GLU A 72 23.973 5.843 -8.902 1.00 43.34 C ATOM 1097 C GLU A 72 23.530 7.212 -8.393 1.00 73.31 C ATOM 1098 O GLU A 72 22.719 7.889 -9.026 1.00 15.23 O ATOM 1099 CB GLU A 72 24.781 6.004 -10.192 1.00 1.21 C ATOM 1100 CG GLU A 72 26.224 5.544 -10.068 1.00 32.21 C ATOM 1101 CD GLU A 72 27.042 5.850 -11.307 1.00 64.41 C ATOM 1102 OE1 GLU A 72 26.536 6.578 -12.187 1.00 23.51 O ATOM 1103 OE2 GLU A 72 28.188 5.361 -11.397 1.00 41.55 O ATOM 0 H GLU A 72 21.924 5.401 -8.909 1.00 52.21 H new ATOM 0 HA GLU A 72 24.602 5.378 -8.142 1.00 43.34 H new ATOM 0 HB2 GLU A 72 24.296 5.439 -10.988 1.00 1.21 H new ATOM 0 HB3 GLU A 72 24.767 7.052 -10.491 1.00 1.21 H new ATOM 0 HG2 GLU A 72 26.683 6.028 -9.206 1.00 32.21 H new ATOM 0 HG3 GLU A 72 26.244 4.471 -9.880 1.00 32.21 H new ATOM 1110 N LEU A 73 24.067 7.612 -7.246 1.00 34.32 N ATOM 1111 CA LEU A 73 23.727 8.899 -6.650 1.00 13.03 C ATOM 1112 C LEU A 73 23.881 10.027 -7.665 1.00 24.02 C ATOM 1113 O LEU A 73 24.455 9.836 -8.737 1.00 4.31 O ATOM 1114 CB LEU A 73 24.612 9.169 -5.432 1.00 34.25 C ATOM 1115 CG LEU A 73 23.968 8.923 -4.067 1.00 31.24 C ATOM 1116 CD1 LEU A 73 23.068 10.087 -3.683 1.00 52.12 C ATOM 1117 CD2 LEU A 73 23.183 7.619 -4.074 1.00 53.34 C ATOM 0 H LEU A 73 24.740 7.064 -6.710 1.00 34.32 H new ATOM 0 HA LEU A 73 22.685 8.861 -6.333 1.00 13.03 H new ATOM 0 HB2 LEU A 73 25.502 8.545 -5.509 1.00 34.25 H new ATOM 0 HB3 LEU A 73 24.945 10.206 -5.473 1.00 34.25 H new ATOM 0 HG LEU A 73 24.760 8.843 -3.323 1.00 31.24 H new ATOM 0 HD11 LEU A 73 22.619 9.894 -2.709 1.00 52.12 H new ATOM 0 HD12 LEU A 73 23.658 11.003 -3.635 1.00 52.12 H new ATOM 0 HD13 LEU A 73 22.282 10.200 -4.429 1.00 52.12 H new ATOM 0 HD21 LEU A 73 22.732 7.461 -3.094 1.00 53.34 H new ATOM 0 HD22 LEU A 73 22.400 7.670 -4.830 1.00 53.34 H new ATOM 0 HD23 LEU A 73 23.854 6.791 -4.302 1.00 53.34 H new ATOM 1129 N SER A 74 23.367 11.203 -7.318 1.00 64.32 N ATOM 1130 CA SER A 74 23.447 12.362 -8.200 1.00 30.42 C ATOM 1131 C SER A 74 24.860 12.530 -8.749 1.00 4.42 C ATOM 1132 O SER A 74 25.126 12.231 -9.913 1.00 53.31 O ATOM 1133 CB SER A 74 23.023 13.627 -7.452 1.00 44.54 C ATOM 1134 OG SER A 74 23.398 13.563 -6.087 1.00 42.43 O ATOM 0 H SER A 74 22.891 11.378 -6.433 1.00 64.32 H new ATOM 0 HA SER A 74 22.769 12.199 -9.037 1.00 30.42 H new ATOM 0 HB2 SER A 74 23.482 14.499 -7.918 1.00 44.54 H new ATOM 0 HB3 SER A 74 21.943 13.755 -7.530 1.00 44.54 H new ATOM 0 HG SER A 74 23.117 14.384 -5.632 1.00 42.43 H new ATOM 1140 N ARG A 75 25.764 13.012 -7.901 1.00 71.13 N ATOM 1141 CA ARG A 75 27.150 13.222 -8.301 1.00 2.33 C ATOM 1142 C ARG A 75 28.079 12.256 -7.572 1.00 33.45 C ATOM 1143 O ARG A 75 28.568 11.289 -8.156 1.00 42.14 O ATOM 1144 CB ARG A 75 27.572 14.665 -8.015 1.00 62.22 C ATOM 1145 CG ARG A 75 27.808 15.490 -9.270 1.00 14.13 C ATOM 1146 CD ARG A 75 27.714 16.980 -8.982 1.00 0.33 C ATOM 1147 NE ARG A 75 28.559 17.765 -9.878 1.00 3.04 N ATOM 1148 CZ ARG A 75 28.532 19.092 -9.940 1.00 33.42 C ATOM 1149 NH1 ARG A 75 27.706 19.778 -9.162 1.00 71.00 N ATOM 1150 NH2 ARG A 75 29.332 19.734 -10.781 1.00 13.51 N ATOM 0 H ARG A 75 25.561 13.264 -6.934 1.00 71.13 H new ATOM 0 HA ARG A 75 27.225 13.033 -9.372 1.00 2.33 H new ATOM 0 HB2 ARG A 75 26.802 15.147 -7.413 1.00 62.22 H new ATOM 0 HB3 ARG A 75 28.484 14.657 -7.419 1.00 62.22 H new ATOM 0 HG2 ARG A 75 28.791 15.259 -9.679 1.00 14.13 H new ATOM 0 HG3 ARG A 75 27.075 15.218 -10.029 1.00 14.13 H new ATOM 0 HD2 ARG A 75 26.678 17.304 -9.084 1.00 0.33 H new ATOM 0 HD3 ARG A 75 28.007 17.169 -7.949 1.00 0.33 H new ATOM 0 HE ARG A 75 29.206 17.267 -10.490 1.00 3.04 H new ATOM 0 HH11 ARG A 75 27.090 19.287 -8.514 1.00 71.00 H new ATOM 0 HH12 ARG A 75 27.687 20.797 -9.211 1.00 71.00 H new ATOM 0 HH21 ARG A 75 29.968 19.209 -11.381 1.00 13.51 H new ATOM 0 HH22 ARG A 75 29.311 20.753 -10.828 1.00 13.51 H new ATOM 1164 N ASP A 76 28.317 12.524 -6.292 1.00 73.44 N ATOM 1165 CA ASP A 76 29.186 11.678 -5.483 1.00 31.52 C ATOM 1166 C ASP A 76 28.388 10.954 -4.403 1.00 75.21 C ATOM 1167 O ASP A 76 27.305 11.393 -4.019 1.00 13.23 O ATOM 1168 CB ASP A 76 30.294 12.514 -4.841 1.00 12.21 C ATOM 1169 CG ASP A 76 31.591 11.743 -4.696 1.00 1.43 C ATOM 1170 OD1 ASP A 76 31.572 10.662 -4.072 1.00 14.13 O ATOM 1171 OD2 ASP A 76 32.626 12.222 -5.205 1.00 62.24 O ATOM 0 H ASP A 76 27.920 13.320 -5.793 1.00 73.44 H new ATOM 0 HA ASP A 76 29.637 10.932 -6.138 1.00 31.52 H new ATOM 0 HB2 ASP A 76 30.470 13.404 -5.445 1.00 12.21 H new ATOM 0 HB3 ASP A 76 29.965 12.855 -3.859 1.00 12.21 H new ATOM 1176 N ASN A 77 28.930 9.841 -3.919 1.00 10.21 N ATOM 1177 CA ASN A 77 28.267 9.055 -2.884 1.00 42.34 C ATOM 1178 C ASN A 77 27.879 9.934 -1.699 1.00 75.31 C ATOM 1179 O ASN A 77 26.936 9.627 -0.969 1.00 11.21 O ATOM 1180 CB ASN A 77 29.179 7.920 -2.415 1.00 31.22 C ATOM 1181 CG ASN A 77 29.868 7.217 -3.568 1.00 74.44 C ATOM 1182 OD1 ASN A 77 31.084 7.316 -3.734 1.00 15.12 O ATOM 1183 ND2 ASN A 77 29.091 6.501 -4.373 1.00 71.23 N ATOM 0 H ASN A 77 29.826 9.463 -4.227 1.00 10.21 H new ATOM 0 HA ASN A 77 27.359 8.630 -3.311 1.00 42.34 H new ATOM 0 HB2 ASN A 77 29.931 8.320 -1.735 1.00 31.22 H new ATOM 0 HB3 ASN A 77 28.592 7.196 -1.850 1.00 31.22 H new ATOM 0 HD21 ASN A 77 29.498 6.005 -5.166 1.00 71.23 H new ATOM 0 HD22 ASN A 77 28.088 6.447 -4.198 1.00 71.23 H new ATOM 1190 N ASP A 78 28.611 11.027 -1.515 1.00 34.32 N ATOM 1191 CA ASP A 78 28.342 11.951 -0.419 1.00 50.25 C ATOM 1192 C ASP A 78 27.205 12.903 -0.778 1.00 41.12 C ATOM 1193 O ASP A 78 27.060 13.306 -1.932 1.00 63.40 O ATOM 1194 CB ASP A 78 29.601 12.748 -0.076 1.00 25.13 C ATOM 1195 CG ASP A 78 29.548 13.343 1.318 1.00 70.42 C ATOM 1196 OD1 ASP A 78 29.914 12.635 2.279 1.00 20.30 O ATOM 1197 OD2 ASP A 78 29.139 14.516 1.447 1.00 22.23 O ATOM 0 H ASP A 78 29.395 11.295 -2.110 1.00 34.32 H new ATOM 0 HA ASP A 78 28.042 11.367 0.451 1.00 50.25 H new ATOM 0 HB2 ASP A 78 30.472 12.098 -0.158 1.00 25.13 H new ATOM 0 HB3 ASP A 78 29.731 13.548 -0.805 1.00 25.13 H new ATOM 1202 N ALA A 79 26.401 13.258 0.218 1.00 34.13 N ATOM 1203 CA ALA A 79 25.277 14.163 0.008 1.00 24.20 C ATOM 1204 C ALA A 79 24.861 14.833 1.313 1.00 74.02 C ATOM 1205 O ALA A 79 24.519 14.161 2.285 1.00 34.45 O ATOM 1206 CB ALA A 79 24.102 13.413 -0.601 1.00 62.31 C ATOM 0 H ALA A 79 26.507 12.933 1.179 1.00 34.13 H new ATOM 0 HA ALA A 79 25.594 14.942 -0.685 1.00 24.20 H new ATOM 0 HB1 ALA A 79 23.270 14.101 -0.752 1.00 62.31 H new ATOM 0 HB2 ALA A 79 24.399 12.987 -1.559 1.00 62.31 H new ATOM 0 HB3 ALA A 79 23.793 12.613 0.072 1.00 62.31 H new ATOM 1212 N SER A 80 24.892 16.162 1.327 1.00 62.33 N ATOM 1213 CA SER A 80 24.522 16.923 2.514 1.00 30.22 C ATOM 1214 C SER A 80 23.168 16.468 3.050 1.00 10.15 C ATOM 1215 O SER A 80 23.089 15.804 4.084 1.00 75.44 O ATOM 1216 CB SER A 80 24.481 18.418 2.195 1.00 54.42 C ATOM 1217 OG SER A 80 25.728 19.033 2.469 1.00 53.12 O ATOM 0 H SER A 80 25.170 16.734 0.529 1.00 62.33 H new ATOM 0 HA SER A 80 25.276 16.743 3.281 1.00 30.22 H new ATOM 0 HB2 SER A 80 24.224 18.562 1.146 1.00 54.42 H new ATOM 0 HB3 SER A 80 23.699 18.897 2.784 1.00 54.42 H new ATOM 0 HG SER A 80 26.292 19.001 1.668 1.00 53.12 H new ATOM 1223 N SER A 81 22.105 16.832 2.340 1.00 31.52 N ATOM 1224 CA SER A 81 20.753 16.465 2.746 1.00 50.03 C ATOM 1225 C SER A 81 19.921 16.038 1.540 1.00 2.10 C ATOM 1226 O SER A 81 20.259 16.348 0.397 1.00 33.53 O ATOM 1227 CB SER A 81 20.076 17.638 3.457 1.00 34.23 C ATOM 1228 OG SER A 81 18.670 17.466 3.499 1.00 74.22 O ATOM 0 H SER A 81 22.154 17.380 1.481 1.00 31.52 H new ATOM 0 HA SER A 81 20.822 15.623 3.434 1.00 50.03 H new ATOM 0 HB2 SER A 81 20.465 17.726 4.471 1.00 34.23 H new ATOM 0 HB3 SER A 81 20.317 18.568 2.941 1.00 34.23 H new ATOM 0 HG SER A 81 18.261 18.228 3.960 1.00 74.22 H new ATOM 1234 N VAL A 82 18.831 15.324 1.804 1.00 41.52 N ATOM 1235 CA VAL A 82 17.949 14.855 0.742 1.00 62.00 C ATOM 1236 C VAL A 82 16.487 14.936 1.166 1.00 21.31 C ATOM 1237 O VAL A 82 16.161 14.771 2.342 1.00 62.23 O ATOM 1238 CB VAL A 82 18.277 13.404 0.341 1.00 54.42 C ATOM 1239 CG1 VAL A 82 17.780 13.115 -1.067 1.00 72.54 C ATOM 1240 CG2 VAL A 82 19.772 13.146 0.451 1.00 13.12 C ATOM 0 H VAL A 82 18.538 15.058 2.744 1.00 41.52 H new ATOM 0 HA VAL A 82 18.111 15.507 -0.116 1.00 62.00 H new ATOM 0 HB VAL A 82 17.764 12.730 1.027 1.00 54.42 H new ATOM 0 HG11 VAL A 82 18.020 12.086 -1.334 1.00 72.54 H new ATOM 0 HG12 VAL A 82 16.700 13.258 -1.108 1.00 72.54 H new ATOM 0 HG13 VAL A 82 18.263 13.794 -1.770 1.00 72.54 H new ATOM 0 HG21 VAL A 82 19.986 12.116 0.164 1.00 13.12 H new ATOM 0 HG22 VAL A 82 20.308 13.826 -0.211 1.00 13.12 H new ATOM 0 HG23 VAL A 82 20.095 13.311 1.479 1.00 13.12 H new ATOM 1250 N ARG A 83 15.610 15.190 0.201 1.00 72.04 N ATOM 1251 CA ARG A 83 14.182 15.293 0.474 1.00 55.30 C ATOM 1252 C ARG A 83 13.400 14.247 -0.315 1.00 52.23 C ATOM 1253 O ARG A 83 13.682 14.001 -1.488 1.00 74.51 O ATOM 1254 CB ARG A 83 13.674 16.694 0.126 1.00 1.04 C ATOM 1255 CG ARG A 83 12.190 16.887 0.390 1.00 33.11 C ATOM 1256 CD ARG A 83 11.594 17.945 -0.525 1.00 42.14 C ATOM 1257 NE ARG A 83 10.292 18.408 -0.053 1.00 3.05 N ATOM 1258 CZ ARG A 83 10.136 19.254 0.960 1.00 63.31 C ATOM 1259 NH1 ARG A 83 11.195 19.727 1.602 1.00 24.42 N ATOM 1260 NH2 ARG A 83 8.919 19.628 1.331 1.00 12.35 N ATOM 0 H ARG A 83 15.863 15.328 -0.777 1.00 72.04 H new ATOM 0 HA ARG A 83 14.028 15.111 1.538 1.00 55.30 H new ATOM 0 HB2 ARG A 83 14.236 17.429 0.703 1.00 1.04 H new ATOM 0 HB3 ARG A 83 13.876 16.893 -0.926 1.00 1.04 H new ATOM 0 HG2 ARG A 83 11.667 15.942 0.244 1.00 33.11 H new ATOM 0 HG3 ARG A 83 12.039 17.177 1.430 1.00 33.11 H new ATOM 0 HD2 ARG A 83 12.277 18.792 -0.593 1.00 42.14 H new ATOM 0 HD3 ARG A 83 11.491 17.538 -1.531 1.00 42.14 H new ATOM 0 HE ARG A 83 9.457 18.063 -0.527 1.00 3.05 H new ATOM 0 HH11 ARG A 83 12.132 19.442 1.319 1.00 24.42 H new ATOM 0 HH12 ARG A 83 11.072 20.376 2.379 1.00 24.42 H new ATOM 0 HH21 ARG A 83 8.102 19.266 0.839 1.00 12.35 H new ATOM 0 HH22 ARG A 83 8.800 20.277 2.109 1.00 12.35 H new ATOM 1274 N VAL A 84 12.417 13.634 0.336 1.00 14.34 N ATOM 1275 CA VAL A 84 11.594 12.615 -0.304 1.00 13.30 C ATOM 1276 C VAL A 84 10.115 12.839 -0.011 1.00 15.24 C ATOM 1277 O VAL A 84 9.734 13.143 1.120 1.00 44.41 O ATOM 1278 CB VAL A 84 11.990 11.201 0.160 1.00 35.02 C ATOM 1279 CG1 VAL A 84 13.472 10.956 -0.077 1.00 0.55 C ATOM 1280 CG2 VAL A 84 11.636 11.003 1.626 1.00 14.44 C ATOM 0 H VAL A 84 12.171 13.826 1.307 1.00 14.34 H new ATOM 0 HA VAL A 84 11.765 12.698 -1.377 1.00 13.30 H new ATOM 0 HB VAL A 84 11.428 10.474 -0.427 1.00 35.02 H new ATOM 0 HG11 VAL A 84 13.733 9.952 0.257 1.00 0.55 H new ATOM 0 HG12 VAL A 84 13.691 11.053 -1.140 1.00 0.55 H new ATOM 0 HG13 VAL A 84 14.056 11.687 0.482 1.00 0.55 H new ATOM 0 HG21 VAL A 84 11.923 9.998 1.937 1.00 14.44 H new ATOM 0 HG22 VAL A 84 12.169 11.736 2.231 1.00 14.44 H new ATOM 0 HG23 VAL A 84 10.562 11.132 1.762 1.00 14.44 H new ATOM 1290 N SER A 85 9.284 12.686 -1.037 1.00 34.03 N ATOM 1291 CA SER A 85 7.845 12.875 -0.890 1.00 61.42 C ATOM 1292 C SER A 85 7.081 12.036 -1.910 1.00 55.42 C ATOM 1293 O SER A 85 7.617 11.666 -2.955 1.00 0.13 O ATOM 1294 CB SER A 85 7.484 14.352 -1.054 1.00 12.21 C ATOM 1295 OG SER A 85 8.201 15.158 -0.135 1.00 21.53 O ATOM 0 H SER A 85 9.582 12.432 -1.979 1.00 34.03 H new ATOM 0 HA SER A 85 7.560 12.548 0.110 1.00 61.42 H new ATOM 0 HB2 SER A 85 7.704 14.672 -2.072 1.00 12.21 H new ATOM 0 HB3 SER A 85 6.413 14.487 -0.902 1.00 12.21 H new ATOM 0 HG SER A 85 7.953 16.098 -0.262 1.00 21.53 H new ATOM 1301 N LYS A 86 5.823 11.740 -1.600 1.00 0.23 N ATOM 1302 CA LYS A 86 4.982 10.947 -2.488 1.00 34.12 C ATOM 1303 C LYS A 86 4.132 11.847 -3.379 1.00 72.55 C ATOM 1304 O LYS A 86 3.497 12.787 -2.903 1.00 33.30 O ATOM 1305 CB LYS A 86 4.078 10.018 -1.673 1.00 42.23 C ATOM 1306 CG LYS A 86 4.833 9.154 -0.678 1.00 64.14 C ATOM 1307 CD LYS A 86 4.388 9.427 0.748 1.00 11.24 C ATOM 1308 CE LYS A 86 2.915 9.103 0.944 1.00 12.31 C ATOM 1309 NZ LYS A 86 2.686 8.273 2.159 1.00 11.32 N ATOM 0 H LYS A 86 5.364 12.038 -0.739 1.00 0.23 H new ATOM 0 HA LYS A 86 5.633 10.346 -3.123 1.00 34.12 H new ATOM 0 HB2 LYS A 86 3.344 10.619 -1.136 1.00 42.23 H new ATOM 0 HB3 LYS A 86 3.525 9.373 -2.355 1.00 42.23 H new ATOM 0 HG2 LYS A 86 4.674 8.102 -0.914 1.00 64.14 H new ATOM 0 HG3 LYS A 86 5.903 9.343 -0.769 1.00 64.14 H new ATOM 0 HD2 LYS A 86 4.987 8.832 1.437 1.00 11.24 H new ATOM 0 HD3 LYS A 86 4.567 10.474 0.992 1.00 11.24 H new ATOM 0 HE2 LYS A 86 2.347 10.030 1.025 1.00 12.31 H new ATOM 0 HE3 LYS A 86 2.540 8.575 0.067 1.00 12.31 H new ATOM 0 HZ1 LYS A 86 2.055 7.480 1.924 1.00 11.32 H new ATOM 0 HZ2 LYS A 86 3.595 7.902 2.502 1.00 11.32 H new ATOM 0 HZ3 LYS A 86 2.248 8.856 2.900 1.00 11.32 H new ATOM 1323 N MET A 87 4.124 11.551 -4.675 1.00 71.51 N ATOM 1324 CA MET A 87 3.349 12.332 -5.632 1.00 63.34 C ATOM 1325 C MET A 87 1.961 11.731 -5.827 1.00 71.13 C ATOM 1326 O MET A 87 0.985 12.453 -6.028 1.00 43.51 O ATOM 1327 CB MET A 87 4.080 12.403 -6.975 1.00 11.24 C ATOM 1328 CG MET A 87 4.499 13.812 -7.364 1.00 72.52 C ATOM 1329 SD MET A 87 3.177 14.730 -8.177 1.00 32.40 S ATOM 1330 CE MET A 87 3.463 14.291 -9.890 1.00 21.43 C ATOM 0 H MET A 87 4.645 10.777 -5.086 1.00 71.51 H new ATOM 0 HA MET A 87 3.236 13.340 -5.234 1.00 63.34 H new ATOM 0 HB2 MET A 87 4.965 11.768 -6.932 1.00 11.24 H new ATOM 0 HB3 MET A 87 3.434 11.997 -7.753 1.00 11.24 H new ATOM 0 HG2 MET A 87 4.816 14.352 -6.472 1.00 72.52 H new ATOM 0 HG3 MET A 87 5.362 13.760 -8.028 1.00 72.52 H new ATOM 0 HE1 MET A 87 2.722 14.783 -10.520 1.00 21.43 H new ATOM 0 HE2 MET A 87 4.462 14.612 -10.186 1.00 21.43 H new ATOM 0 HE3 MET A 87 3.379 13.211 -10.008 1.00 21.43 H new