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 26 ASN : amide:sc= 0.0119 X(o=0.11,f=0.079) USER MOD Set 1.2: A 29 SER OG : rot -170:sc= 0.0932 USER MOD Set 2.1: A 8 TYR OH : rot 180:sc= 0.373 USER MOD Set 2.2: A 17 SER OG : rot -86:sc= 1.83 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+ -147:sc= 0.0388 (180deg=-0.431) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.014) 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 -26:sc= 0.569 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= -1.08! C(o=-1.1!,f=-6.5!) USER MOD Single : A 41 SER OG : rot 100:sc= 0.801 USER MOD Single : A 42 SER OG : rot 127:sc= 0.39 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.327 X(o=-0.33,f=-0.16) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) 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 -52:sc= 0.794 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 63:sc= 0.0659 USER MOD Single : A 77 ASN : amide:sc= -1.04 X(o=-1,f=-0.62) USER MOD Single : A 80 SER OG : rot 82:sc= 1.25 USER MOD Single : A 81 SER OG : rot 71:sc= 1.32 USER MOD Single : A 85 SER OG : rot -7:sc= 1.02 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 23 N LYS A 3 4.908 3.173 -0.625 1.00 15.01 N ATOM 24 CA LYS A 3 4.809 4.626 -0.558 1.00 55.23 C ATOM 25 C LYS A 3 6.022 5.222 0.147 1.00 4.41 C ATOM 26 O LYS A 3 5.891 6.115 0.986 1.00 74.42 O ATOM 27 CB LYS A 3 3.528 5.038 0.172 1.00 60.23 C ATOM 28 CG LYS A 3 3.295 4.278 1.466 1.00 0.33 C ATOM 29 CD LYS A 3 2.290 3.154 1.280 1.00 63.30 C ATOM 30 CE LYS A 3 0.878 3.607 1.614 1.00 15.52 C ATOM 31 NZ LYS A 3 0.059 3.819 0.389 1.00 54.54 N ATOM 0 HA LYS A 3 4.778 5.010 -1.578 1.00 55.23 H new ATOM 0 HB2 LYS A 3 3.571 6.105 0.390 1.00 60.23 H new ATOM 0 HB3 LYS A 3 2.676 4.882 -0.490 1.00 60.23 H new ATOM 0 HG2 LYS A 3 4.240 3.867 1.823 1.00 0.33 H new ATOM 0 HG3 LYS A 3 2.936 4.965 2.233 1.00 0.33 H new ATOM 0 HD2 LYS A 3 2.325 2.800 0.250 1.00 63.30 H new ATOM 0 HD3 LYS A 3 2.563 2.312 1.916 1.00 63.30 H new ATOM 0 HE2 LYS A 3 0.398 2.861 2.247 1.00 15.52 H new ATOM 0 HE3 LYS A 3 0.920 4.533 2.188 1.00 15.52 H new ATOM 0 HZ1 LYS A 3 -0.897 4.127 0.659 1.00 54.54 H new ATOM 0 HZ2 LYS A 3 0.503 4.549 -0.204 1.00 54.54 H new ATOM 0 HZ3 LYS A 3 -0.003 2.929 -0.146 1.00 54.54 H new ATOM 45 N THR A 4 7.206 4.725 -0.199 1.00 11.12 N ATOM 46 CA THR A 4 8.443 5.209 0.401 1.00 60.21 C ATOM 47 C THR A 4 9.645 4.882 -0.478 1.00 54.14 C ATOM 48 O THR A 4 9.717 3.807 -1.074 1.00 10.02 O ATOM 49 CB THR A 4 8.664 4.602 1.799 1.00 23.12 C ATOM 50 OG1 THR A 4 8.117 3.280 1.852 1.00 63.45 O ATOM 51 CG2 THR A 4 8.019 5.466 2.872 1.00 23.24 C ATOM 0 H THR A 4 7.334 3.987 -0.892 1.00 11.12 H new ATOM 0 HA THR A 4 8.347 6.291 0.493 1.00 60.21 H new ATOM 0 HB THR A 4 9.737 4.558 1.986 1.00 23.12 H new ATOM 0 HG1 THR A 4 8.263 2.901 2.744 1.00 63.45 H new ATOM 0 HG21 THR A 4 8.188 5.017 3.851 1.00 23.24 H new ATOM 0 HG22 THR A 4 8.459 6.463 2.849 1.00 23.24 H new ATOM 0 HG23 THR A 4 6.947 5.537 2.686 1.00 23.24 H new ATOM 59 N VAL A 5 10.587 5.816 -0.555 1.00 42.35 N ATOM 60 CA VAL A 5 11.788 5.627 -1.361 1.00 75.41 C ATOM 61 C VAL A 5 12.924 5.048 -0.526 1.00 20.30 C ATOM 62 O VAL A 5 13.227 5.543 0.560 1.00 54.12 O ATOM 63 CB VAL A 5 12.254 6.951 -1.994 1.00 55.03 C ATOM 64 CG1 VAL A 5 11.262 7.417 -3.049 1.00 73.34 C ATOM 65 CG2 VAL A 5 12.445 8.015 -0.924 1.00 35.22 C ATOM 0 H VAL A 5 10.542 6.712 -0.069 1.00 42.35 H new ATOM 0 HA VAL A 5 11.529 4.926 -2.154 1.00 75.41 H new ATOM 0 HB VAL A 5 13.214 6.782 -2.482 1.00 55.03 H new ATOM 0 HG11 VAL A 5 11.608 8.354 -3.485 1.00 73.34 H new ATOM 0 HG12 VAL A 5 11.180 6.661 -3.830 1.00 73.34 H new ATOM 0 HG13 VAL A 5 10.286 7.570 -2.588 1.00 73.34 H new ATOM 0 HG21 VAL A 5 12.774 8.944 -1.389 1.00 35.22 H new ATOM 0 HG22 VAL A 5 11.501 8.184 -0.406 1.00 35.22 H new ATOM 0 HG23 VAL A 5 13.197 7.681 -0.209 1.00 35.22 H new ATOM 75 N LYS A 6 13.552 3.995 -1.040 1.00 13.32 N ATOM 76 CA LYS A 6 14.657 3.348 -0.343 1.00 42.04 C ATOM 77 C LYS A 6 15.999 3.846 -0.871 1.00 12.51 C ATOM 78 O LYS A 6 16.078 4.406 -1.965 1.00 61.15 O ATOM 79 CB LYS A 6 14.567 1.829 -0.502 1.00 64.44 C ATOM 80 CG LYS A 6 13.702 1.157 0.550 1.00 4.01 C ATOM 81 CD LYS A 6 13.737 -0.356 0.417 1.00 35.33 C ATOM 82 CE LYS A 6 12.387 -0.975 0.748 1.00 22.40 C ATOM 83 NZ LYS A 6 12.135 -1.005 2.215 1.00 10.34 N ATOM 0 H LYS A 6 13.314 3.572 -1.937 1.00 13.32 H new ATOM 0 HA LYS A 6 14.585 3.602 0.715 1.00 42.04 H new ATOM 0 HB2 LYS A 6 14.168 1.599 -1.490 1.00 64.44 H new ATOM 0 HB3 LYS A 6 15.571 1.407 -0.458 1.00 64.44 H new ATOM 0 HG2 LYS A 6 14.047 1.444 1.543 1.00 4.01 H new ATOM 0 HG3 LYS A 6 12.674 1.508 0.456 1.00 4.01 H new ATOM 0 HD2 LYS A 6 14.023 -0.627 -0.599 1.00 35.33 H new ATOM 0 HD3 LYS A 6 14.498 -0.763 1.082 1.00 35.33 H new ATOM 0 HE2 LYS A 6 11.597 -0.408 0.255 1.00 22.40 H new ATOM 0 HE3 LYS A 6 12.346 -1.990 0.352 1.00 22.40 H new ATOM 0 HZ1 LYS A 6 11.574 -1.848 2.454 1.00 10.34 H new ATOM 0 HZ2 LYS A 6 13.042 -1.038 2.722 1.00 10.34 H new ATOM 0 HZ3 LYS A 6 11.612 -0.151 2.495 1.00 10.34 H new ATOM 97 N LEU A 7 17.051 3.639 -0.087 1.00 42.22 N ATOM 98 CA LEU A 7 18.391 4.066 -0.476 1.00 52.33 C ATOM 99 C LEU A 7 19.393 2.927 -0.319 1.00 73.13 C ATOM 100 O LEU A 7 19.503 2.327 0.750 1.00 22.21 O ATOM 101 CB LEU A 7 18.830 5.266 0.365 1.00 35.14 C ATOM 102 CG LEU A 7 18.776 6.628 -0.328 1.00 64.30 C ATOM 103 CD1 LEU A 7 17.341 7.119 -0.431 1.00 73.52 C ATOM 104 CD2 LEU A 7 19.636 7.639 0.417 1.00 54.25 C ATOM 0 H LEU A 7 17.002 3.178 0.822 1.00 42.22 H new ATOM 0 HA LEU A 7 18.362 4.357 -1.526 1.00 52.33 H new ATOM 0 HB2 LEU A 7 18.203 5.309 1.255 1.00 35.14 H new ATOM 0 HB3 LEU A 7 19.852 5.093 0.703 1.00 35.14 H new ATOM 0 HG LEU A 7 19.172 6.517 -1.337 1.00 64.30 H new ATOM 0 HD11 LEU A 7 17.323 8.089 -0.927 1.00 73.52 H new ATOM 0 HD12 LEU A 7 16.753 6.406 -1.008 1.00 73.52 H new ATOM 0 HD13 LEU A 7 16.916 7.214 0.568 1.00 73.52 H new ATOM 0 HD21 LEU A 7 19.586 8.603 -0.090 1.00 54.25 H new ATOM 0 HD22 LEU A 7 19.269 7.746 1.438 1.00 54.25 H new ATOM 0 HD23 LEU A 7 20.669 7.293 0.437 1.00 54.25 H new ATOM 116 N TYR A 8 20.122 2.636 -1.391 1.00 33.52 N ATOM 117 CA TYR A 8 21.115 1.568 -1.372 1.00 52.13 C ATOM 118 C TYR A 8 22.524 2.132 -1.530 1.00 33.24 C ATOM 119 O TYR A 8 22.730 3.133 -2.214 1.00 52.23 O ATOM 120 CB TYR A 8 20.830 0.559 -2.486 1.00 20.21 C ATOM 121 CG TYR A 8 20.183 -0.717 -1.996 1.00 53.21 C ATOM 122 CD1 TYR A 8 20.752 -1.457 -0.967 1.00 64.35 C ATOM 123 CD2 TYR A 8 19.002 -1.182 -2.562 1.00 64.21 C ATOM 124 CE1 TYR A 8 20.165 -2.624 -0.517 1.00 1.20 C ATOM 125 CE2 TYR A 8 18.407 -2.347 -2.117 1.00 3.40 C ATOM 126 CZ TYR A 8 18.992 -3.064 -1.095 1.00 5.05 C ATOM 127 OH TYR A 8 18.404 -4.225 -0.649 1.00 75.23 O ATOM 0 H TYR A 8 20.044 3.124 -2.283 1.00 33.52 H new ATOM 0 HA TYR A 8 21.051 1.063 -0.408 1.00 52.13 H new ATOM 0 HB2 TYR A 8 20.181 1.024 -3.228 1.00 20.21 H new ATOM 0 HB3 TYR A 8 21.765 0.312 -2.989 1.00 20.21 H new ATOM 0 HD1 TYR A 8 21.669 -1.114 -0.511 1.00 64.35 H new ATOM 0 HD2 TYR A 8 18.541 -0.623 -3.363 1.00 64.21 H new ATOM 0 HE1 TYR A 8 20.622 -3.188 0.283 1.00 1.20 H new ATOM 0 HE2 TYR A 8 17.489 -2.694 -2.567 1.00 3.40 H new ATOM 0 HH TYR A 8 17.585 -4.394 -1.159 1.00 75.23 H new ATOM 137 N GLU A 9 23.490 1.480 -0.890 1.00 73.22 N ATOM 138 CA GLU A 9 24.880 1.916 -0.959 1.00 35.33 C ATOM 139 C GLU A 9 25.581 1.308 -2.170 1.00 42.30 C ATOM 140 O GLU A 9 26.505 1.901 -2.728 1.00 1.15 O ATOM 141 CB GLU A 9 25.622 1.529 0.322 1.00 63.21 C ATOM 142 CG GLU A 9 25.931 0.044 0.422 1.00 51.44 C ATOM 143 CD GLU A 9 25.835 -0.477 1.842 1.00 34.31 C ATOM 144 OE1 GLU A 9 24.761 -0.322 2.460 1.00 31.32 O ATOM 145 OE2 GLU A 9 26.834 -1.041 2.335 1.00 30.24 O ATOM 0 H GLU A 9 23.336 0.649 -0.319 1.00 73.22 H new ATOM 0 HA GLU A 9 24.890 3.001 -1.063 1.00 35.33 H new ATOM 0 HB2 GLU A 9 26.555 2.090 0.375 1.00 63.21 H new ATOM 0 HB3 GLU A 9 25.023 1.826 1.183 1.00 63.21 H new ATOM 0 HG2 GLU A 9 25.239 -0.511 -0.212 1.00 51.44 H new ATOM 0 HG3 GLU A 9 26.934 -0.141 0.038 1.00 51.44 H new ATOM 152 N ASP A 10 25.136 0.123 -2.571 1.00 22.41 N ATOM 153 CA ASP A 10 25.720 -0.566 -3.716 1.00 62.10 C ATOM 154 C ASP A 10 25.152 -0.024 -5.024 1.00 2.31 C ATOM 155 O ASP A 10 24.318 0.882 -5.023 1.00 74.12 O ATOM 156 CB ASP A 10 25.463 -2.071 -3.619 1.00 0.40 C ATOM 157 CG ASP A 10 26.579 -2.890 -4.236 1.00 43.23 C ATOM 158 OD1 ASP A 10 27.621 -3.071 -3.571 1.00 33.12 O ATOM 159 OD2 ASP A 10 26.411 -3.350 -5.385 1.00 24.54 O ATOM 0 H ASP A 10 24.372 -0.381 -2.120 1.00 22.41 H new ATOM 0 HA ASP A 10 26.795 -0.388 -3.706 1.00 62.10 H new ATOM 0 HB2 ASP A 10 25.348 -2.350 -2.572 1.00 0.40 H new ATOM 0 HB3 ASP A 10 24.523 -2.309 -4.117 1.00 0.40 H new ATOM 164 N THR A 11 25.611 -0.583 -6.139 1.00 52.15 N ATOM 165 CA THR A 11 25.151 -0.154 -7.454 1.00 73.32 C ATOM 166 C THR A 11 24.439 -1.288 -8.184 1.00 51.30 C ATOM 167 O THR A 11 24.676 -1.522 -9.370 1.00 10.34 O ATOM 168 CB THR A 11 26.320 0.346 -8.323 1.00 40.11 C ATOM 169 OG1 THR A 11 27.236 -0.725 -8.575 1.00 63.13 O ATOM 170 CG2 THR A 11 27.049 1.494 -7.641 1.00 30.44 C ATOM 0 H THR A 11 26.301 -1.334 -6.158 1.00 52.15 H new ATOM 0 HA THR A 11 24.452 0.666 -7.292 1.00 73.32 H new ATOM 0 HB THR A 11 25.913 0.705 -9.268 1.00 40.11 H new ATOM 0 HG1 THR A 11 27.975 -0.399 -9.130 1.00 63.13 H new ATOM 0 HG21 THR A 11 27.870 1.830 -8.274 1.00 30.44 H new ATOM 0 HG22 THR A 11 26.356 2.319 -7.477 1.00 30.44 H new ATOM 0 HG23 THR A 11 27.444 1.156 -6.683 1.00 30.44 H new ATOM 178 N HIS A 12 23.565 -1.989 -7.469 1.00 53.11 N ATOM 179 CA HIS A 12 22.817 -3.098 -8.050 1.00 73.11 C ATOM 180 C HIS A 12 21.875 -3.716 -7.021 1.00 71.43 C ATOM 181 O HIS A 12 21.647 -4.926 -7.022 1.00 34.24 O ATOM 182 CB HIS A 12 23.775 -4.162 -8.586 1.00 22.24 C ATOM 183 CG HIS A 12 23.381 -4.704 -9.925 1.00 52.01 C ATOM 184 ND1 HIS A 12 23.285 -6.053 -10.193 1.00 35.24 N ATOM 185 CD2 HIS A 12 23.056 -4.070 -11.076 1.00 13.32 C ATOM 186 CE1 HIS A 12 22.919 -6.226 -11.450 1.00 50.53 C ATOM 187 NE2 HIS A 12 22.773 -5.037 -12.008 1.00 60.33 N ATOM 0 H HIS A 12 23.357 -1.809 -6.487 1.00 53.11 H new ATOM 0 HA HIS A 12 22.220 -2.709 -8.875 1.00 73.11 H new ATOM 0 HB2 HIS A 12 24.776 -3.736 -8.656 1.00 22.24 H new ATOM 0 HB3 HIS A 12 23.828 -4.984 -7.872 1.00 22.24 H new ATOM 0 HD2 HIS A 12 23.025 -3.002 -11.232 1.00 13.32 H new ATOM 0 HE1 HIS A 12 22.765 -7.177 -11.939 1.00 50.53 H new ATOM 0 HE2 HIS A 12 22.495 -4.866 -12.974 1.00 60.33 H new ATOM 195 N PHE A 13 21.331 -2.878 -6.145 1.00 24.22 N ATOM 196 CA PHE A 13 20.416 -3.343 -5.109 1.00 53.33 C ATOM 197 C PHE A 13 21.118 -4.302 -4.152 1.00 41.44 C ATOM 198 O PHE A 13 20.518 -5.258 -3.661 1.00 51.14 O ATOM 199 CB PHE A 13 19.204 -4.031 -5.741 1.00 63.24 C ATOM 200 CG PHE A 13 18.582 -3.243 -6.858 1.00 70.13 C ATOM 201 CD1 PHE A 13 18.151 -1.943 -6.650 1.00 43.22 C ATOM 202 CD2 PHE A 13 18.427 -3.803 -8.116 1.00 41.13 C ATOM 203 CE1 PHE A 13 17.579 -1.215 -7.676 1.00 15.40 C ATOM 204 CE2 PHE A 13 17.856 -3.080 -9.146 1.00 15.51 C ATOM 205 CZ PHE A 13 17.430 -1.784 -8.925 1.00 74.32 C ATOM 0 H PHE A 13 21.508 -1.874 -6.132 1.00 24.22 H new ATOM 0 HA PHE A 13 20.078 -2.475 -4.542 1.00 53.33 H new ATOM 0 HB2 PHE A 13 19.507 -5.007 -6.121 1.00 63.24 H new ATOM 0 HB3 PHE A 13 18.454 -4.208 -4.970 1.00 63.24 H new ATOM 0 HD1 PHE A 13 18.263 -1.493 -5.675 1.00 43.22 H new ATOM 0 HD2 PHE A 13 18.756 -4.816 -8.294 1.00 41.13 H new ATOM 0 HE1 PHE A 13 17.249 -0.202 -7.501 1.00 15.40 H new ATOM 0 HE2 PHE A 13 17.743 -3.527 -10.123 1.00 15.51 H new ATOM 0 HZ PHE A 13 16.981 -1.218 -9.728 1.00 74.32 H new ATOM 215 N LYS A 14 22.394 -4.039 -3.892 1.00 43.12 N ATOM 216 CA LYS A 14 23.181 -4.876 -2.994 1.00 74.32 C ATOM 217 C LYS A 14 23.338 -4.213 -1.630 1.00 1.32 C ATOM 218 O LYS A 14 23.147 -3.005 -1.490 1.00 70.42 O ATOM 219 CB LYS A 14 24.558 -5.156 -3.599 1.00 42.44 C ATOM 220 CG LYS A 14 24.863 -6.635 -3.762 1.00 12.34 C ATOM 221 CD LYS A 14 25.447 -6.937 -5.131 1.00 53.15 C ATOM 222 CE LYS A 14 26.877 -6.433 -5.251 1.00 52.02 C ATOM 223 NZ LYS A 14 27.852 -7.553 -5.364 1.00 11.22 N ATOM 0 H LYS A 14 22.906 -3.252 -4.291 1.00 43.12 H new ATOM 0 HA LYS A 14 22.652 -5.819 -2.861 1.00 74.32 H new ATOM 0 HB2 LYS A 14 24.623 -4.671 -4.573 1.00 42.44 H new ATOM 0 HB3 LYS A 14 25.322 -4.704 -2.966 1.00 42.44 H new ATOM 0 HG2 LYS A 14 25.564 -6.950 -2.989 1.00 12.34 H new ATOM 0 HG3 LYS A 14 23.950 -7.213 -3.619 1.00 12.34 H new ATOM 0 HD2 LYS A 14 25.423 -8.012 -5.309 1.00 53.15 H new ATOM 0 HD3 LYS A 14 24.831 -6.473 -5.901 1.00 53.15 H new ATOM 0 HE2 LYS A 14 26.962 -5.788 -6.125 1.00 52.02 H new ATOM 0 HE3 LYS A 14 27.122 -5.825 -4.380 1.00 52.02 H new ATOM 0 HZ1 LYS A 14 28.815 -7.168 -5.444 1.00 11.22 H new ATOM 0 HZ2 LYS A 14 27.789 -8.155 -4.518 1.00 11.22 H new ATOM 0 HZ3 LYS A 14 27.634 -8.119 -6.209 1.00 11.22 H new ATOM 237 N GLY A 15 23.689 -5.010 -0.626 1.00 24.34 N ATOM 238 CA GLY A 15 23.868 -4.482 0.714 1.00 11.41 C ATOM 239 C GLY A 15 22.552 -4.284 1.440 1.00 52.04 C ATOM 240 O GLY A 15 21.642 -5.106 1.325 1.00 41.34 O ATOM 0 H GLY A 15 23.853 -6.013 -0.717 1.00 24.34 H new ATOM 0 HA2 GLY A 15 24.497 -5.162 1.288 1.00 11.41 H new ATOM 0 HA3 GLY A 15 24.396 -3.530 0.658 1.00 11.41 H new ATOM 244 N TYR A 16 22.450 -3.193 2.190 1.00 10.30 N ATOM 245 CA TYR A 16 21.237 -2.892 2.941 1.00 52.12 C ATOM 246 C TYR A 16 20.555 -1.640 2.396 1.00 22.40 C ATOM 247 O TYR A 16 21.218 -0.689 1.983 1.00 51.12 O ATOM 248 CB TYR A 16 21.563 -2.704 4.423 1.00 32.24 C ATOM 249 CG TYR A 16 20.404 -3.018 5.343 1.00 51.34 C ATOM 250 CD1 TYR A 16 20.196 -4.308 5.816 1.00 44.33 C ATOM 251 CD2 TYR A 16 19.516 -2.025 5.737 1.00 0.33 C ATOM 252 CE1 TYR A 16 19.139 -4.599 6.655 1.00 34.12 C ATOM 253 CE2 TYR A 16 18.456 -2.307 6.578 1.00 45.45 C ATOM 254 CZ TYR A 16 18.272 -3.595 7.034 1.00 72.24 C ATOM 255 OH TYR A 16 17.217 -3.880 7.870 1.00 73.44 O ATOM 0 H TYR A 16 23.193 -2.502 2.294 1.00 10.30 H new ATOM 0 HA TYR A 16 20.553 -3.734 2.830 1.00 52.12 H new ATOM 0 HB2 TYR A 16 22.407 -3.342 4.685 1.00 32.24 H new ATOM 0 HB3 TYR A 16 21.879 -1.674 4.589 1.00 32.24 H new ATOM 0 HD1 TYR A 16 20.873 -5.097 5.522 1.00 44.33 H new ATOM 0 HD2 TYR A 16 19.656 -1.015 5.380 1.00 0.33 H new ATOM 0 HE1 TYR A 16 18.992 -5.607 7.013 1.00 34.12 H new ATOM 0 HE2 TYR A 16 17.776 -1.523 6.876 1.00 45.45 H new ATOM 0 HH TYR A 16 16.704 -3.062 8.040 1.00 73.44 H new ATOM 265 N SER A 17 19.226 -1.649 2.399 1.00 20.44 N ATOM 266 CA SER A 17 18.453 -0.517 1.903 1.00 33.20 C ATOM 267 C SER A 17 17.762 0.214 3.050 1.00 33.54 C ATOM 268 O SER A 17 17.291 -0.408 4.003 1.00 15.41 O ATOM 269 CB SER A 17 17.413 -0.990 0.885 1.00 42.32 C ATOM 270 OG SER A 17 17.147 -2.374 1.033 1.00 52.44 O ATOM 0 H SER A 17 18.662 -2.428 2.739 1.00 20.44 H new ATOM 0 HA SER A 17 19.140 0.175 1.416 1.00 33.20 H new ATOM 0 HB2 SER A 17 16.491 -0.424 1.013 1.00 42.32 H new ATOM 0 HB3 SER A 17 17.772 -0.791 -0.125 1.00 42.32 H new ATOM 0 HG SER A 17 17.799 -2.890 0.514 1.00 52.44 H new ATOM 276 N VAL A 18 17.705 1.538 2.952 1.00 64.14 N ATOM 277 CA VAL A 18 17.072 2.355 3.979 1.00 34.04 C ATOM 278 C VAL A 18 15.894 3.139 3.410 1.00 25.21 C ATOM 279 O VAL A 18 16.045 3.891 2.448 1.00 73.44 O ATOM 280 CB VAL A 18 18.073 3.340 4.610 1.00 5.40 C ATOM 281 CG1 VAL A 18 18.708 4.215 3.540 1.00 64.35 C ATOM 282 CG2 VAL A 18 17.388 4.192 5.668 1.00 24.23 C ATOM 0 H VAL A 18 18.090 2.068 2.170 1.00 64.14 H new ATOM 0 HA VAL A 18 16.712 1.672 4.749 1.00 34.04 H new ATOM 0 HB VAL A 18 18.864 2.766 5.094 1.00 5.40 H new ATOM 0 HG11 VAL A 18 19.412 4.905 4.005 1.00 64.35 H new ATOM 0 HG12 VAL A 18 19.235 3.587 2.822 1.00 64.35 H new ATOM 0 HG13 VAL A 18 17.932 4.781 3.025 1.00 64.35 H new ATOM 0 HG21 VAL A 18 18.111 4.882 6.103 1.00 24.23 H new ATOM 0 HG22 VAL A 18 16.576 4.757 5.210 1.00 24.23 H new ATOM 0 HG23 VAL A 18 16.986 3.548 6.450 1.00 24.23 H new ATOM 292 N GLU A 19 14.723 2.958 4.012 1.00 22.41 N ATOM 293 CA GLU A 19 13.520 3.648 3.564 1.00 53.40 C ATOM 294 C GLU A 19 13.249 4.882 4.421 1.00 22.30 C ATOM 295 O GLU A 19 13.549 4.900 5.616 1.00 61.44 O ATOM 296 CB GLU A 19 12.316 2.706 3.613 1.00 74.41 C ATOM 297 CG GLU A 19 11.864 2.368 5.024 1.00 63.51 C ATOM 298 CD GLU A 19 11.842 0.874 5.287 1.00 11.32 C ATOM 299 OE1 GLU A 19 11.000 0.177 4.683 1.00 10.45 O ATOM 300 OE2 GLU A 19 12.667 0.403 6.097 1.00 4.03 O ATOM 0 H GLU A 19 14.582 2.340 4.811 1.00 22.41 H new ATOM 0 HA GLU A 19 13.679 3.969 2.535 1.00 53.40 H new ATOM 0 HB2 GLU A 19 11.486 3.163 3.074 1.00 74.41 H new ATOM 0 HB3 GLU A 19 12.566 1.783 3.090 1.00 74.41 H new ATOM 0 HG2 GLU A 19 12.530 2.850 5.740 1.00 63.51 H new ATOM 0 HG3 GLU A 19 10.868 2.777 5.190 1.00 63.51 H new ATOM 307 N LEU A 20 12.681 5.911 3.803 1.00 42.22 N ATOM 308 CA LEU A 20 12.370 7.150 4.508 1.00 61.03 C ATOM 309 C LEU A 20 11.092 7.780 3.963 1.00 2.11 C ATOM 310 O LEU A 20 11.016 8.186 2.803 1.00 5.03 O ATOM 311 CB LEU A 20 13.532 8.137 4.383 1.00 62.32 C ATOM 312 CG LEU A 20 14.578 7.810 3.316 1.00 3.14 C ATOM 313 CD1 LEU A 20 15.253 9.081 2.823 1.00 34.12 C ATOM 314 CD2 LEU A 20 15.610 6.834 3.863 1.00 43.31 C ATOM 0 H LEU A 20 12.426 5.912 2.815 1.00 42.22 H new ATOM 0 HA LEU A 20 12.216 6.911 5.560 1.00 61.03 H new ATOM 0 HB2 LEU A 20 13.122 9.125 4.171 1.00 62.32 H new ATOM 0 HB3 LEU A 20 14.034 8.200 5.348 1.00 62.32 H new ATOM 0 HG LEU A 20 14.074 7.340 2.472 1.00 3.14 H new ATOM 0 HD11 LEU A 20 15.994 8.829 2.064 1.00 34.12 H new ATOM 0 HD12 LEU A 20 14.505 9.747 2.392 1.00 34.12 H new ATOM 0 HD13 LEU A 20 15.744 9.580 3.658 1.00 34.12 H new ATOM 0 HD21 LEU A 20 16.346 6.612 3.091 1.00 43.31 H new ATOM 0 HD22 LEU A 20 16.110 7.278 4.724 1.00 43.31 H new ATOM 0 HD23 LEU A 20 15.114 5.912 4.166 1.00 43.31 H new ATOM 326 N PRO A 21 10.063 7.867 4.819 1.00 23.43 N ATOM 327 CA PRO A 21 8.771 8.449 4.447 1.00 14.11 C ATOM 328 C PRO A 21 8.853 9.958 4.240 1.00 34.42 C ATOM 329 O PRO A 21 9.880 10.577 4.515 1.00 43.21 O ATOM 330 CB PRO A 21 7.876 8.122 5.645 1.00 31.52 C ATOM 331 CG PRO A 21 8.816 7.974 6.791 1.00 2.42 C ATOM 332 CD PRO A 21 10.083 7.403 6.217 1.00 50.02 C ATOM 0 HA PRO A 21 8.403 8.052 3.501 1.00 14.11 H new ATOM 0 HB2 PRO A 21 7.152 8.916 5.827 1.00 31.52 H new ATOM 0 HB3 PRO A 21 7.309 7.206 5.477 1.00 31.52 H new ATOM 0 HG2 PRO A 21 9.003 8.936 7.269 1.00 2.42 H new ATOM 0 HG3 PRO A 21 8.401 7.314 7.553 1.00 2.42 H new ATOM 0 HD2 PRO A 21 10.964 7.765 6.748 1.00 50.02 H new ATOM 0 HD3 PRO A 21 10.098 6.315 6.279 1.00 50.02 H new ATOM 340 N VAL A 22 7.763 10.544 3.755 1.00 72.24 N ATOM 341 CA VAL A 22 7.711 11.981 3.512 1.00 21.34 C ATOM 342 C VAL A 22 8.461 12.748 4.595 1.00 21.15 C ATOM 343 O VAL A 22 8.197 12.581 5.785 1.00 15.23 O ATOM 344 CB VAL A 22 6.258 12.488 3.452 1.00 31.32 C ATOM 345 CG1 VAL A 22 5.516 12.137 4.733 1.00 23.11 C ATOM 346 CG2 VAL A 22 6.228 13.988 3.203 1.00 54.13 C ATOM 0 H VAL A 22 6.904 10.046 3.523 1.00 72.24 H new ATOM 0 HA VAL A 22 8.189 12.157 2.548 1.00 21.34 H new ATOM 0 HB VAL A 22 5.753 11.994 2.622 1.00 31.32 H new ATOM 0 HG11 VAL A 22 4.491 12.503 4.672 1.00 23.11 H new ATOM 0 HG12 VAL A 22 5.507 11.055 4.864 1.00 23.11 H new ATOM 0 HG13 VAL A 22 6.017 12.601 5.583 1.00 23.11 H new ATOM 0 HG21 VAL A 22 5.194 14.330 3.163 1.00 54.13 H new ATOM 0 HG22 VAL A 22 6.749 14.501 4.011 1.00 54.13 H new ATOM 0 HG23 VAL A 22 6.720 14.209 2.256 1.00 54.13 H new ATOM 356 N GLY A 23 9.399 13.591 4.174 1.00 23.23 N ATOM 357 CA GLY A 23 10.174 14.372 5.121 1.00 54.12 C ATOM 358 C GLY A 23 11.588 14.629 4.641 1.00 63.43 C ATOM 359 O GLY A 23 12.094 13.919 3.771 1.00 22.12 O ATOM 0 H GLY A 23 9.636 13.747 3.194 1.00 23.23 H new ATOM 0 HA2 GLY A 23 9.674 15.325 5.296 1.00 54.12 H new ATOM 0 HA3 GLY A 23 10.208 13.849 6.077 1.00 54.12 H new ATOM 363 N ASP A 24 12.228 15.646 5.206 1.00 11.25 N ATOM 364 CA ASP A 24 13.593 15.995 4.831 1.00 50.44 C ATOM 365 C ASP A 24 14.588 15.497 5.874 1.00 63.44 C ATOM 366 O ASP A 24 14.286 15.460 7.067 1.00 64.44 O ATOM 367 CB ASP A 24 13.727 17.510 4.663 1.00 70.33 C ATOM 368 CG ASP A 24 12.887 18.280 5.662 1.00 34.44 C ATOM 369 OD1 ASP A 24 11.658 18.373 5.458 1.00 51.02 O ATOM 370 OD2 ASP A 24 13.457 18.788 6.650 1.00 63.13 O ATOM 0 H ASP A 24 11.823 16.244 5.926 1.00 11.25 H new ATOM 0 HA ASP A 24 13.817 15.510 3.881 1.00 50.44 H new ATOM 0 HB2 ASP A 24 14.773 17.794 4.777 1.00 70.33 H new ATOM 0 HB3 ASP A 24 13.430 17.788 3.652 1.00 70.33 H new ATOM 375 N TYR A 25 15.775 15.113 5.416 1.00 53.24 N ATOM 376 CA TYR A 25 16.813 14.613 6.308 1.00 4.14 C ATOM 377 C TYR A 25 18.136 15.333 6.063 1.00 71.24 C ATOM 378 O TYR A 25 18.515 15.585 4.920 1.00 52.32 O ATOM 379 CB TYR A 25 16.997 13.106 6.118 1.00 13.52 C ATOM 380 CG TYR A 25 15.694 12.340 6.062 1.00 45.30 C ATOM 381 CD1 TYR A 25 14.898 12.367 4.924 1.00 63.03 C ATOM 382 CD2 TYR A 25 15.261 11.589 7.147 1.00 33.33 C ATOM 383 CE1 TYR A 25 13.707 11.669 4.868 1.00 5.14 C ATOM 384 CE2 TYR A 25 14.072 10.886 7.100 1.00 11.44 C ATOM 385 CZ TYR A 25 13.299 10.930 5.959 1.00 13.20 C ATOM 386 OH TYR A 25 12.114 10.232 5.907 1.00 13.54 O ATOM 0 H TYR A 25 16.041 15.139 4.432 1.00 53.24 H new ATOM 0 HA TYR A 25 16.499 14.807 7.333 1.00 4.14 H new ATOM 0 HB2 TYR A 25 17.553 12.929 5.197 1.00 13.52 H new ATOM 0 HB3 TYR A 25 17.603 12.716 6.936 1.00 13.52 H new ATOM 0 HD1 TYR A 25 15.216 12.944 4.068 1.00 63.03 H new ATOM 0 HD2 TYR A 25 15.864 11.554 8.043 1.00 33.33 H new ATOM 0 HE1 TYR A 25 13.099 11.702 3.976 1.00 5.14 H new ATOM 0 HE2 TYR A 25 13.750 10.306 7.952 1.00 11.44 H new ATOM 0 HH TYR A 25 11.508 10.663 5.268 1.00 13.54 H new ATOM 396 N ASN A 26 18.834 15.660 7.145 1.00 22.32 N ATOM 397 CA ASN A 26 20.115 16.350 7.049 1.00 41.43 C ATOM 398 C ASN A 26 21.274 15.361 7.125 1.00 72.21 C ATOM 399 O ASN A 26 21.075 14.148 7.041 1.00 25.05 O ATOM 400 CB ASN A 26 20.243 17.390 8.164 1.00 20.44 C ATOM 401 CG ASN A 26 18.968 18.186 8.361 1.00 12.43 C ATOM 402 OD1 ASN A 26 18.758 19.213 7.715 1.00 70.11 O ATOM 403 ND2 ASN A 26 18.109 17.716 9.258 1.00 31.31 N ATOM 0 H ASN A 26 18.534 15.458 8.099 1.00 22.32 H new ATOM 0 HA ASN A 26 20.155 16.855 6.084 1.00 41.43 H new ATOM 0 HB2 ASN A 26 20.503 16.889 9.096 1.00 20.44 H new ATOM 0 HB3 ASN A 26 21.061 18.071 7.930 1.00 20.44 H new ATOM 0 HD21 ASN A 26 17.234 18.210 9.434 1.00 31.31 H new ATOM 0 HD22 ASN A 26 18.324 16.861 9.771 1.00 31.31 H new ATOM 410 N LEU A 27 22.483 15.886 7.284 1.00 5.15 N ATOM 411 CA LEU A 27 23.675 15.050 7.373 1.00 63.51 C ATOM 412 C LEU A 27 23.579 14.088 8.553 1.00 23.01 C ATOM 413 O LEU A 27 23.811 12.888 8.409 1.00 22.32 O ATOM 414 CB LEU A 27 24.925 15.921 7.511 1.00 70.23 C ATOM 415 CG LEU A 27 26.186 15.212 8.005 1.00 65.24 C ATOM 416 CD1 LEU A 27 27.368 15.534 7.103 1.00 51.40 C ATOM 417 CD2 LEU A 27 26.489 15.603 9.444 1.00 62.12 C ATOM 0 H LEU A 27 22.664 16.887 7.354 1.00 5.15 H new ATOM 0 HA LEU A 27 23.747 14.465 6.456 1.00 63.51 H new ATOM 0 HB2 LEU A 27 25.140 16.368 6.541 1.00 70.23 H new ATOM 0 HB3 LEU A 27 24.700 16.738 8.196 1.00 70.23 H new ATOM 0 HG LEU A 27 26.012 14.137 7.971 1.00 65.24 H new ATOM 0 HD11 LEU A 27 28.257 15.021 7.470 1.00 51.40 H new ATOM 0 HD12 LEU A 27 27.151 15.203 6.087 1.00 51.40 H new ATOM 0 HD13 LEU A 27 27.544 16.610 7.104 1.00 51.40 H new ATOM 0 HD21 LEU A 27 27.390 15.089 9.779 1.00 62.12 H new ATOM 0 HD22 LEU A 27 26.643 16.680 9.504 1.00 62.12 H new ATOM 0 HD23 LEU A 27 25.652 15.320 10.082 1.00 62.12 H new ATOM 429 N SER A 28 23.234 14.624 9.720 1.00 71.54 N ATOM 430 CA SER A 28 23.108 13.813 10.925 1.00 4.35 C ATOM 431 C SER A 28 21.933 12.848 10.811 1.00 35.13 C ATOM 432 O SER A 28 21.988 11.724 11.310 1.00 74.44 O ATOM 433 CB SER A 28 22.929 14.710 12.152 1.00 41.43 C ATOM 434 OG SER A 28 24.115 15.433 12.433 1.00 64.21 O ATOM 0 H SER A 28 23.037 15.616 9.856 1.00 71.54 H new ATOM 0 HA SER A 28 24.023 13.231 11.039 1.00 4.35 H new ATOM 0 HB2 SER A 28 22.107 15.406 11.981 1.00 41.43 H new ATOM 0 HB3 SER A 28 22.657 14.102 13.015 1.00 41.43 H new ATOM 0 HG SER A 28 23.974 16.000 13.220 1.00 64.21 H new ATOM 440 N SER A 29 20.869 13.296 10.151 1.00 22.34 N ATOM 441 CA SER A 29 19.678 12.474 9.974 1.00 14.13 C ATOM 442 C SER A 29 19.956 11.310 9.028 1.00 50.32 C ATOM 443 O SER A 29 19.357 10.241 9.147 1.00 32.31 O ATOM 444 CB SER A 29 18.524 13.321 9.434 1.00 50.24 C ATOM 445 OG SER A 29 18.423 14.550 10.132 1.00 41.34 O ATOM 0 H SER A 29 20.808 14.223 9.730 1.00 22.34 H new ATOM 0 HA SER A 29 19.398 12.069 10.947 1.00 14.13 H new ATOM 0 HB2 SER A 29 18.676 13.514 8.372 1.00 50.24 H new ATOM 0 HB3 SER A 29 17.589 12.769 9.527 1.00 50.24 H new ATOM 0 HG SER A 29 17.590 15.002 9.880 1.00 41.34 H new ATOM 451 N LEU A 30 20.869 11.526 8.087 1.00 10.44 N ATOM 452 CA LEU A 30 21.228 10.496 7.119 1.00 45.30 C ATOM 453 C LEU A 30 21.778 9.258 7.820 1.00 61.02 C ATOM 454 O LEU A 30 21.332 8.139 7.564 1.00 1.03 O ATOM 455 CB LEU A 30 22.262 11.037 6.130 1.00 40.25 C ATOM 456 CG LEU A 30 21.703 11.676 4.858 1.00 44.24 C ATOM 457 CD1 LEU A 30 22.536 12.884 4.457 1.00 62.12 C ATOM 458 CD2 LEU A 30 21.656 10.659 3.726 1.00 2.44 C ATOM 0 H LEU A 30 21.374 12.405 7.974 1.00 10.44 H new ATOM 0 HA LEU A 30 20.327 10.213 6.575 1.00 45.30 H new ATOM 0 HB2 LEU A 30 22.876 11.776 6.645 1.00 40.25 H new ATOM 0 HB3 LEU A 30 22.923 10.219 5.842 1.00 40.25 H new ATOM 0 HG LEU A 30 20.686 12.012 5.060 1.00 44.24 H new ATOM 0 HD11 LEU A 30 22.123 13.326 3.550 1.00 62.12 H new ATOM 0 HD12 LEU A 30 22.518 13.621 5.260 1.00 62.12 H new ATOM 0 HD13 LEU A 30 23.564 12.572 4.273 1.00 62.12 H new ATOM 0 HD21 LEU A 30 21.256 11.131 2.829 1.00 2.44 H new ATOM 0 HD22 LEU A 30 22.662 10.292 3.525 1.00 2.44 H new ATOM 0 HD23 LEU A 30 21.016 9.824 4.013 1.00 2.44 H new ATOM 470 N ILE A 31 22.747 9.467 8.705 1.00 35.43 N ATOM 471 CA ILE A 31 23.354 8.368 9.445 1.00 20.53 C ATOM 472 C ILE A 31 22.410 7.841 10.521 1.00 72.55 C ATOM 473 O ILE A 31 22.292 6.631 10.719 1.00 12.41 O ATOM 474 CB ILE A 31 24.677 8.797 10.106 1.00 44.13 C ATOM 475 CG1 ILE A 31 25.673 9.268 9.044 1.00 64.31 C ATOM 476 CG2 ILE A 31 25.262 7.650 10.916 1.00 34.23 C ATOM 477 CD1 ILE A 31 25.730 10.772 8.892 1.00 35.35 C ATOM 0 H ILE A 31 23.128 10.387 8.927 1.00 35.43 H new ATOM 0 HA ILE A 31 23.557 7.577 8.723 1.00 20.53 H new ATOM 0 HB ILE A 31 24.475 9.627 10.783 1.00 44.13 H new ATOM 0 HG12 ILE A 31 26.666 8.899 9.300 1.00 64.31 H new ATOM 0 HG13 ILE A 31 25.406 8.824 8.085 1.00 64.31 H new ATOM 0 HG21 ILE A 31 26.197 7.970 11.377 1.00 34.23 H new ATOM 0 HG22 ILE A 31 24.556 7.356 11.693 1.00 34.23 H new ATOM 0 HG23 ILE A 31 25.453 6.801 10.259 1.00 34.23 H new ATOM 0 HD11 ILE A 31 26.457 11.033 8.122 1.00 35.35 H new ATOM 0 HD12 ILE A 31 24.747 11.146 8.605 1.00 35.35 H new ATOM 0 HD13 ILE A 31 26.027 11.222 9.839 1.00 35.35 H new ATOM 489 N SER A 32 21.738 8.756 11.211 1.00 52.32 N ATOM 490 CA SER A 32 20.805 8.384 12.268 1.00 54.32 C ATOM 491 C SER A 32 19.731 7.439 11.737 1.00 51.43 C ATOM 492 O SER A 32 19.162 6.645 12.486 1.00 64.45 O ATOM 493 CB SER A 32 20.152 9.633 12.864 1.00 52.04 C ATOM 494 OG SER A 32 19.413 9.315 14.030 1.00 31.12 O ATOM 0 H SER A 32 21.822 9.761 11.057 1.00 52.32 H new ATOM 0 HA SER A 32 21.365 7.868 13.048 1.00 54.32 H new ATOM 0 HB2 SER A 32 20.919 10.368 13.105 1.00 52.04 H new ATOM 0 HB3 SER A 32 19.493 10.090 12.126 1.00 52.04 H new ATOM 0 HG SER A 32 19.007 10.130 14.392 1.00 31.12 H new ATOM 500 N ARG A 33 19.459 7.533 10.439 1.00 32.32 N ATOM 501 CA ARG A 33 18.453 6.688 9.807 1.00 72.01 C ATOM 502 C ARG A 33 19.074 5.390 9.298 1.00 1.52 C ATOM 503 O ARG A 33 18.377 4.401 9.078 1.00 61.01 O ATOM 504 CB ARG A 33 17.784 7.433 8.650 1.00 11.34 C ATOM 505 CG ARG A 33 16.330 7.045 8.435 1.00 23.31 C ATOM 506 CD ARG A 33 15.432 8.269 8.355 1.00 3.32 C ATOM 507 NE ARG A 33 14.017 7.914 8.403 1.00 74.10 N ATOM 508 CZ ARG A 33 13.396 7.514 9.507 1.00 21.13 C ATOM 509 NH1 ARG A 33 14.063 7.419 10.649 1.00 2.32 N ATOM 510 NH2 ARG A 33 12.105 7.208 9.471 1.00 65.01 N ATOM 0 H ARG A 33 19.921 8.185 9.805 1.00 32.32 H new ATOM 0 HA ARG A 33 17.700 6.441 10.556 1.00 72.01 H new ATOM 0 HB2 ARG A 33 17.841 8.505 8.838 1.00 11.34 H new ATOM 0 HB3 ARG A 33 18.342 7.240 7.734 1.00 11.34 H new ATOM 0 HG2 ARG A 33 16.239 6.465 7.516 1.00 23.31 H new ATOM 0 HG3 ARG A 33 15.999 6.403 9.251 1.00 23.31 H new ATOM 0 HD2 ARG A 33 15.665 8.944 9.179 1.00 3.32 H new ATOM 0 HD3 ARG A 33 15.639 8.810 7.432 1.00 3.32 H new ATOM 0 HE ARG A 33 13.475 7.977 7.541 1.00 74.10 H new ATOM 0 HH11 ARG A 33 15.055 7.653 10.681 1.00 2.32 H new ATOM 0 HH12 ARG A 33 13.584 7.112 11.495 1.00 2.32 H new ATOM 0 HH21 ARG A 33 11.588 7.280 8.595 1.00 65.01 H new ATOM 0 HH22 ARG A 33 11.630 6.901 10.320 1.00 65.01 H new ATOM 524 N GLY A 34 20.391 5.403 9.113 1.00 11.34 N ATOM 525 CA GLY A 34 21.084 4.223 8.631 1.00 31.25 C ATOM 526 C GLY A 34 21.722 4.439 7.274 1.00 71.04 C ATOM 527 O GLY A 34 21.685 3.557 6.416 1.00 44.32 O ATOM 0 H GLY A 34 20.990 6.210 9.288 1.00 11.34 H new ATOM 0 HA2 GLY A 34 21.853 3.938 9.349 1.00 31.25 H new ATOM 0 HA3 GLY A 34 20.381 3.392 8.570 1.00 31.25 H new ATOM 531 N ALA A 35 22.307 5.616 7.077 1.00 31.00 N ATOM 532 CA ALA A 35 22.956 5.945 5.814 1.00 52.00 C ATOM 533 C ALA A 35 24.115 6.912 6.028 1.00 25.21 C ATOM 534 O ALA A 35 23.927 8.024 6.522 1.00 54.53 O ATOM 535 CB ALA A 35 21.947 6.536 4.840 1.00 33.53 C ATOM 0 H ALA A 35 22.345 6.358 7.776 1.00 31.00 H new ATOM 0 HA ALA A 35 23.358 5.025 5.390 1.00 52.00 H new ATOM 0 HB1 ALA A 35 22.446 6.777 3.901 1.00 33.53 H new ATOM 0 HB2 ALA A 35 21.154 5.812 4.654 1.00 33.53 H new ATOM 0 HB3 ALA A 35 21.518 7.443 5.266 1.00 33.53 H new ATOM 541 N LEU A 36 25.315 6.481 5.655 1.00 64.10 N ATOM 542 CA LEU A 36 26.507 7.309 5.807 1.00 70.41 C ATOM 543 C LEU A 36 26.553 8.398 4.740 1.00 31.02 C ATOM 544 O LEU A 36 26.539 8.110 3.544 1.00 11.12 O ATOM 545 CB LEU A 36 27.766 6.444 5.724 1.00 43.31 C ATOM 546 CG LEU A 36 29.007 6.997 6.426 1.00 42.22 C ATOM 547 CD1 LEU A 36 29.462 8.290 5.766 1.00 65.51 C ATOM 548 CD2 LEU A 36 28.728 7.221 7.905 1.00 61.11 C ATOM 0 H LEU A 36 25.489 5.563 5.245 1.00 64.10 H new ATOM 0 HA LEU A 36 26.466 7.787 6.786 1.00 70.41 H new ATOM 0 HB2 LEU A 36 27.539 5.466 6.148 1.00 43.31 H new ATOM 0 HB3 LEU A 36 28.007 6.288 4.672 1.00 43.31 H new ATOM 0 HG LEU A 36 29.809 6.264 6.335 1.00 42.22 H new ATOM 0 HD11 LEU A 36 30.346 8.669 6.279 1.00 65.51 H new ATOM 0 HD12 LEU A 36 29.703 8.099 4.720 1.00 65.51 H new ATOM 0 HD13 LEU A 36 28.663 9.029 5.825 1.00 65.51 H new ATOM 0 HD21 LEU A 36 29.622 7.615 8.388 1.00 61.11 H new ATOM 0 HD22 LEU A 36 27.911 7.934 8.017 1.00 61.11 H new ATOM 0 HD23 LEU A 36 28.451 6.275 8.370 1.00 61.11 H new ATOM 560 N ASN A 37 26.610 9.650 5.182 1.00 12.04 N ATOM 561 CA ASN A 37 26.660 10.783 4.265 1.00 33.04 C ATOM 562 C ASN A 37 27.773 10.602 3.238 1.00 53.43 C ATOM 563 O ASN A 37 28.910 10.287 3.588 1.00 0.01 O ATOM 564 CB ASN A 37 26.873 12.085 5.041 1.00 74.40 C ATOM 565 CG ASN A 37 28.159 12.075 5.844 1.00 12.04 C ATOM 566 OD1 ASN A 37 28.192 11.595 6.978 1.00 43.14 O ATOM 567 ND2 ASN A 37 29.226 12.607 5.259 1.00 14.13 N ATOM 0 H ASN A 37 26.623 9.906 6.169 1.00 12.04 H new ATOM 0 HA ASN A 37 25.708 10.834 3.737 1.00 33.04 H new ATOM 0 HB2 ASN A 37 26.890 12.922 4.343 1.00 74.40 H new ATOM 0 HB3 ASN A 37 26.030 12.247 5.712 1.00 74.40 H new ATOM 0 HD21 ASN A 37 30.119 12.629 5.751 1.00 14.13 H new ATOM 0 HD22 ASN A 37 29.152 12.993 4.318 1.00 14.13 H new ATOM 574 N ASP A 38 27.437 10.805 1.969 1.00 51.05 N ATOM 575 CA ASP A 38 28.408 10.666 0.889 1.00 12.52 C ATOM 576 C ASP A 38 28.916 9.231 0.797 1.00 43.23 C ATOM 577 O ASP A 38 29.985 8.906 1.314 1.00 44.35 O ATOM 578 CB ASP A 38 29.581 11.624 1.104 1.00 23.42 C ATOM 579 CG ASP A 38 29.151 12.937 1.728 1.00 72.42 C ATOM 580 OD1 ASP A 38 28.050 13.421 1.390 1.00 25.30 O ATOM 581 OD2 ASP A 38 29.915 13.481 2.553 1.00 75.31 O ATOM 0 H ASP A 38 26.500 11.066 1.663 1.00 51.05 H new ATOM 0 HA ASP A 38 27.912 10.917 -0.048 1.00 12.52 H new ATOM 0 HB2 ASP A 38 30.323 11.147 1.744 1.00 23.42 H new ATOM 0 HB3 ASP A 38 30.065 11.821 0.147 1.00 23.42 H new ATOM 586 N ASP A 39 28.143 8.377 0.136 1.00 30.42 N ATOM 587 CA ASP A 39 28.515 6.976 -0.024 1.00 73.42 C ATOM 588 C ASP A 39 27.465 6.224 -0.836 1.00 54.35 C ATOM 589 O ASP A 39 27.788 5.309 -1.594 1.00 64.23 O ATOM 590 CB ASP A 39 28.690 6.313 1.343 1.00 64.31 C ATOM 591 CG ASP A 39 28.651 4.799 1.262 1.00 54.31 C ATOM 592 OD1 ASP A 39 29.555 4.215 0.629 1.00 31.31 O ATOM 593 OD2 ASP A 39 27.716 4.199 1.832 1.00 13.51 O ATOM 0 H ASP A 39 27.255 8.630 -0.298 1.00 30.42 H new ATOM 0 HA ASP A 39 29.462 6.937 -0.562 1.00 73.42 H new ATOM 0 HB2 ASP A 39 29.640 6.626 1.777 1.00 64.31 H new ATOM 0 HB3 ASP A 39 27.904 6.658 2.014 1.00 64.31 H new ATOM 598 N LEU A 40 26.206 6.616 -0.673 1.00 11.02 N ATOM 599 CA LEU A 40 25.107 5.979 -1.390 1.00 51.02 C ATOM 600 C LEU A 40 25.405 5.899 -2.884 1.00 3.21 C ATOM 601 O LEU A 40 25.949 6.836 -3.469 1.00 62.43 O ATOM 602 CB LEU A 40 23.806 6.750 -1.159 1.00 20.11 C ATOM 603 CG LEU A 40 23.027 6.388 0.106 1.00 71.50 C ATOM 604 CD1 LEU A 40 22.543 4.947 0.041 1.00 43.23 C ATOM 605 CD2 LEU A 40 23.886 6.608 1.343 1.00 55.32 C ATOM 0 H LEU A 40 25.921 7.372 -0.050 1.00 11.02 H new ATOM 0 HA LEU A 40 24.995 4.965 -1.006 1.00 51.02 H new ATOM 0 HB2 LEU A 40 24.039 7.814 -1.126 1.00 20.11 H new ATOM 0 HB3 LEU A 40 23.156 6.592 -2.020 1.00 20.11 H new ATOM 0 HG LEU A 40 22.156 7.040 0.172 1.00 71.50 H new ATOM 0 HD11 LEU A 40 21.991 4.707 0.950 1.00 43.23 H new ATOM 0 HD12 LEU A 40 21.891 4.821 -0.824 1.00 43.23 H new ATOM 0 HD13 LEU A 40 23.400 4.279 -0.050 1.00 43.23 H new ATOM 0 HD21 LEU A 40 23.315 6.345 2.234 1.00 55.32 H new ATOM 0 HD22 LEU A 40 24.776 5.981 1.284 1.00 55.32 H new ATOM 0 HD23 LEU A 40 24.183 7.655 1.398 1.00 55.32 H new ATOM 617 N SER A 41 25.044 4.776 -3.495 1.00 72.32 N ATOM 618 CA SER A 41 25.274 4.573 -4.921 1.00 22.23 C ATOM 619 C SER A 41 24.020 4.036 -5.603 1.00 35.12 C ATOM 620 O SER A 41 24.035 3.714 -6.791 1.00 11.21 O ATOM 621 CB SER A 41 26.440 3.606 -5.138 1.00 11.10 C ATOM 622 OG SER A 41 27.526 3.917 -4.283 1.00 22.33 O ATOM 0 H SER A 41 24.591 3.992 -3.025 1.00 72.32 H new ATOM 0 HA SER A 41 25.523 5.537 -5.365 1.00 22.23 H new ATOM 0 HB2 SER A 41 26.108 2.584 -4.953 1.00 11.10 H new ATOM 0 HB3 SER A 41 26.766 3.652 -6.177 1.00 11.10 H new ATOM 0 HG SER A 41 27.514 3.318 -3.507 1.00 22.33 H new ATOM 628 N SER A 42 22.934 3.942 -4.842 1.00 11.04 N ATOM 629 CA SER A 42 21.671 3.441 -5.370 1.00 72.31 C ATOM 630 C SER A 42 20.489 4.047 -4.620 1.00 11.13 C ATOM 631 O SER A 42 20.608 4.427 -3.455 1.00 50.03 O ATOM 632 CB SER A 42 21.623 1.915 -5.273 1.00 34.44 C ATOM 633 OG SER A 42 22.137 1.312 -6.447 1.00 41.05 O ATOM 0 H SER A 42 22.904 4.206 -3.857 1.00 11.04 H new ATOM 0 HA SER A 42 21.602 3.734 -6.418 1.00 72.31 H new ATOM 0 HB2 SER A 42 22.199 1.584 -4.409 1.00 34.44 H new ATOM 0 HB3 SER A 42 20.595 1.590 -5.114 1.00 34.44 H new ATOM 0 HG SER A 42 22.832 0.664 -6.205 1.00 41.05 H new ATOM 639 N ALA A 43 19.348 4.134 -5.296 1.00 44.32 N ATOM 640 CA ALA A 43 18.144 4.692 -4.694 1.00 52.23 C ATOM 641 C ALA A 43 16.889 4.122 -5.347 1.00 22.33 C ATOM 642 O ALA A 43 16.684 4.266 -6.552 1.00 44.20 O ATOM 643 CB ALA A 43 18.154 6.210 -4.803 1.00 31.13 C ATOM 0 H ALA A 43 19.233 3.825 -6.261 1.00 44.32 H new ATOM 0 HA ALA A 43 18.132 4.414 -3.640 1.00 52.23 H new ATOM 0 HB1 ALA A 43 17.249 6.613 -4.349 1.00 31.13 H new ATOM 0 HB2 ALA A 43 19.027 6.606 -4.285 1.00 31.13 H new ATOM 0 HB3 ALA A 43 18.193 6.499 -5.853 1.00 31.13 H new ATOM 649 N ARG A 44 16.053 3.473 -4.543 1.00 72.21 N ATOM 650 CA ARG A 44 14.819 2.879 -5.043 1.00 70.24 C ATOM 651 C ARG A 44 13.655 3.857 -4.918 1.00 52.35 C ATOM 652 O ARG A 44 13.298 4.277 -3.817 1.00 70.34 O ATOM 653 CB ARG A 44 14.501 1.592 -4.280 1.00 65.40 C ATOM 654 CG ARG A 44 14.337 0.376 -5.177 1.00 65.05 C ATOM 655 CD ARG A 44 13.773 -0.810 -4.411 1.00 70.12 C ATOM 656 NE ARG A 44 13.107 -1.765 -5.293 1.00 50.32 N ATOM 657 CZ ARG A 44 13.752 -2.539 -6.159 1.00 53.32 C ATOM 658 NH1 ARG A 44 15.072 -2.471 -6.258 1.00 61.24 N ATOM 659 NH2 ARG A 44 13.075 -3.383 -6.928 1.00 4.22 N ATOM 0 H ARG A 44 16.208 3.345 -3.543 1.00 72.21 H new ATOM 0 HA ARG A 44 14.961 2.643 -6.097 1.00 70.24 H new ATOM 0 HB2 ARG A 44 15.299 1.399 -3.563 1.00 65.40 H new ATOM 0 HB3 ARG A 44 13.585 1.736 -3.707 1.00 65.40 H new ATOM 0 HG2 ARG A 44 13.675 0.622 -6.007 1.00 65.05 H new ATOM 0 HG3 ARG A 44 15.302 0.107 -5.607 1.00 65.05 H new ATOM 0 HD2 ARG A 44 14.579 -1.312 -3.876 1.00 70.12 H new ATOM 0 HD3 ARG A 44 13.066 -0.454 -3.662 1.00 70.12 H new ATOM 0 HE ARG A 44 12.091 -1.842 -5.241 1.00 50.32 H new ATOM 0 HH11 ARG A 44 15.595 -1.823 -5.669 1.00 61.24 H new ATOM 0 HH12 ARG A 44 15.565 -3.066 -6.924 1.00 61.24 H new ATOM 0 HH21 ARG A 44 12.059 -3.437 -6.854 1.00 4.22 H new ATOM 0 HH22 ARG A 44 13.571 -3.977 -7.593 1.00 4.22 H new ATOM 673 N VAL A 45 13.067 4.217 -6.055 1.00 13.51 N ATOM 674 CA VAL A 45 11.943 5.146 -6.073 1.00 73.01 C ATOM 675 C VAL A 45 11.066 4.924 -7.301 1.00 22.14 C ATOM 676 O VAL A 45 11.213 5.588 -8.327 1.00 71.52 O ATOM 677 CB VAL A 45 12.423 6.609 -6.057 1.00 1.31 C ATOM 678 CG1 VAL A 45 13.480 6.836 -7.127 1.00 10.30 C ATOM 679 CG2 VAL A 45 11.249 7.557 -6.246 1.00 54.32 C ATOM 0 H VAL A 45 13.350 3.880 -6.975 1.00 13.51 H new ATOM 0 HA VAL A 45 11.359 4.953 -5.173 1.00 73.01 H new ATOM 0 HB VAL A 45 12.873 6.815 -5.086 1.00 1.31 H new ATOM 0 HG11 VAL A 45 13.807 7.875 -7.101 1.00 10.30 H new ATOM 0 HG12 VAL A 45 14.332 6.182 -6.941 1.00 10.30 H new ATOM 0 HG13 VAL A 45 13.059 6.613 -8.107 1.00 10.30 H new ATOM 0 HG21 VAL A 45 11.607 8.587 -6.232 1.00 54.32 H new ATOM 0 HG22 VAL A 45 10.767 7.353 -7.202 1.00 54.32 H new ATOM 0 HG23 VAL A 45 10.530 7.412 -5.439 1.00 54.32 H new ATOM 689 N PRO A 46 10.131 3.968 -7.195 1.00 23.11 N ATOM 690 CA PRO A 46 9.211 3.636 -8.287 1.00 2.42 C ATOM 691 C PRO A 46 8.192 4.742 -8.542 1.00 62.30 C ATOM 692 O PRO A 46 8.091 5.696 -7.771 1.00 43.11 O ATOM 693 CB PRO A 46 8.512 2.369 -7.789 1.00 11.00 C ATOM 694 CG PRO A 46 8.599 2.447 -6.304 1.00 21.22 C ATOM 695 CD PRO A 46 9.900 3.137 -6.001 1.00 40.50 C ATOM 0 HA PRO A 46 9.733 3.506 -9.235 1.00 2.42 H new ATOM 0 HB2 PRO A 46 7.475 2.331 -8.123 1.00 11.00 H new ATOM 0 HB3 PRO A 46 9.002 1.472 -8.168 1.00 11.00 H new ATOM 0 HG2 PRO A 46 7.757 3.004 -5.893 1.00 21.22 H new ATOM 0 HG3 PRO A 46 8.572 1.452 -5.859 1.00 21.22 H new ATOM 0 HD2 PRO A 46 9.833 3.742 -5.097 1.00 40.50 H new ATOM 0 HD3 PRO A 46 10.708 2.422 -5.847 1.00 40.50 H new ATOM 703 N SER A 47 7.438 4.606 -9.628 1.00 44.14 N ATOM 704 CA SER A 47 6.429 5.596 -9.987 1.00 30.42 C ATOM 705 C SER A 47 5.509 5.885 -8.805 1.00 14.30 C ATOM 706 O SER A 47 4.888 4.979 -8.250 1.00 41.42 O ATOM 707 CB SER A 47 5.606 5.107 -11.180 1.00 64.25 C ATOM 708 OG SER A 47 6.153 5.573 -12.402 1.00 2.12 O ATOM 0 H SER A 47 7.507 3.820 -10.275 1.00 44.14 H new ATOM 0 HA SER A 47 6.941 6.518 -10.262 1.00 30.42 H new ATOM 0 HB2 SER A 47 5.576 4.017 -11.183 1.00 64.25 H new ATOM 0 HB3 SER A 47 4.577 5.454 -11.083 1.00 64.25 H new ATOM 0 HG SER A 47 5.610 5.246 -13.149 1.00 2.12 H new ATOM 714 N GLY A 48 5.426 7.157 -8.425 1.00 31.10 N ATOM 715 CA GLY A 48 4.580 7.545 -7.312 1.00 31.15 C ATOM 716 C GLY A 48 5.379 8.025 -6.116 1.00 52.33 C ATOM 717 O GLY A 48 5.017 7.757 -4.970 1.00 23.22 O ATOM 0 H GLY A 48 5.930 7.925 -8.868 1.00 31.10 H new ATOM 0 HA2 GLY A 48 3.902 8.336 -7.633 1.00 31.15 H new ATOM 0 HA3 GLY A 48 3.963 6.697 -7.016 1.00 31.15 H new ATOM 721 N LEU A 49 6.469 8.736 -6.383 1.00 12.45 N ATOM 722 CA LEU A 49 7.323 9.254 -5.319 1.00 50.44 C ATOM 723 C LEU A 49 8.416 10.153 -5.888 1.00 42.15 C ATOM 724 O LEU A 49 9.069 9.806 -6.873 1.00 22.23 O ATOM 725 CB LEU A 49 7.952 8.101 -4.536 1.00 33.03 C ATOM 726 CG LEU A 49 7.620 8.044 -3.044 1.00 24.10 C ATOM 727 CD1 LEU A 49 8.153 6.760 -2.428 1.00 25.24 C ATOM 728 CD2 LEU A 49 8.188 9.259 -2.325 1.00 23.33 C ATOM 0 H LEU A 49 6.782 8.967 -7.326 1.00 12.45 H new ATOM 0 HA LEU A 49 6.704 9.847 -4.646 1.00 50.44 H new ATOM 0 HB2 LEU A 49 7.638 7.163 -4.994 1.00 33.03 H new ATOM 0 HB3 LEU A 49 9.035 8.162 -4.645 1.00 33.03 H new ATOM 0 HG LEU A 49 6.536 8.054 -2.931 1.00 24.10 H new ATOM 0 HD11 LEU A 49 7.908 6.737 -1.366 1.00 25.24 H new ATOM 0 HD12 LEU A 49 7.699 5.902 -2.924 1.00 25.24 H new ATOM 0 HD13 LEU A 49 9.235 6.719 -2.551 1.00 25.24 H new ATOM 0 HD21 LEU A 49 7.942 9.202 -1.265 1.00 23.33 H new ATOM 0 HD22 LEU A 49 9.271 9.280 -2.446 1.00 23.33 H new ATOM 0 HD23 LEU A 49 7.758 10.167 -2.749 1.00 23.33 H new ATOM 740 N ARG A 50 8.611 11.308 -5.261 1.00 44.43 N ATOM 741 CA ARG A 50 9.626 12.256 -5.705 1.00 3.54 C ATOM 742 C ARG A 50 10.607 12.570 -4.578 1.00 74.21 C ATOM 743 O ARG A 50 10.209 12.749 -3.426 1.00 73.31 O ATOM 744 CB ARG A 50 8.969 13.547 -6.197 1.00 11.23 C ATOM 745 CG ARG A 50 9.830 14.337 -7.169 1.00 1.24 C ATOM 746 CD ARG A 50 9.144 15.623 -7.602 1.00 41.22 C ATOM 747 NE ARG A 50 9.980 16.412 -8.504 1.00 13.25 N ATOM 748 CZ ARG A 50 9.503 17.347 -9.318 1.00 71.11 C ATOM 749 NH1 ARG A 50 8.203 17.608 -9.344 1.00 4.41 N ATOM 750 NH2 ARG A 50 10.327 18.023 -10.109 1.00 31.33 N ATOM 0 H ARG A 50 8.080 11.610 -4.444 1.00 44.43 H new ATOM 0 HA ARG A 50 10.177 11.800 -6.528 1.00 3.54 H new ATOM 0 HB2 ARG A 50 8.023 13.302 -6.679 1.00 11.23 H new ATOM 0 HB3 ARG A 50 8.735 14.176 -5.338 1.00 11.23 H new ATOM 0 HG2 ARG A 50 10.786 14.573 -6.701 1.00 1.24 H new ATOM 0 HG3 ARG A 50 10.046 13.726 -8.045 1.00 1.24 H new ATOM 0 HD2 ARG A 50 8.203 15.383 -8.097 1.00 41.22 H new ATOM 0 HD3 ARG A 50 8.899 16.217 -6.722 1.00 41.22 H new ATOM 0 HE ARG A 50 10.985 16.235 -8.509 1.00 13.25 H new ATOM 0 HH11 ARG A 50 7.567 17.090 -8.738 1.00 4.41 H new ATOM 0 HH12 ARG A 50 7.840 18.327 -9.970 1.00 4.41 H new ATOM 0 HH21 ARG A 50 11.327 17.825 -10.092 1.00 31.33 H new ATOM 0 HH22 ARG A 50 9.960 18.741 -10.734 1.00 31.33 H new ATOM 764 N LEU A 51 11.889 12.634 -4.918 1.00 2.31 N ATOM 765 CA LEU A 51 12.927 12.926 -3.935 1.00 64.43 C ATOM 766 C LEU A 51 13.992 13.845 -4.524 1.00 42.25 C ATOM 767 O LEU A 51 14.183 13.891 -5.739 1.00 73.32 O ATOM 768 CB LEU A 51 13.572 11.628 -3.446 1.00 23.24 C ATOM 769 CG LEU A 51 13.976 10.628 -4.530 1.00 12.10 C ATOM 770 CD1 LEU A 51 15.293 11.038 -5.170 1.00 70.23 C ATOM 771 CD2 LEU A 51 14.076 9.225 -3.951 1.00 22.54 C ATOM 0 H LEU A 51 12.235 12.488 -5.866 1.00 2.31 H new ATOM 0 HA LEU A 51 12.461 13.435 -3.091 1.00 64.43 H new ATOM 0 HB2 LEU A 51 14.459 11.883 -2.866 1.00 23.24 H new ATOM 0 HB3 LEU A 51 12.878 11.135 -2.766 1.00 23.24 H new ATOM 0 HG LEU A 51 13.206 10.627 -5.301 1.00 12.10 H new ATOM 0 HD11 LEU A 51 15.565 10.315 -5.939 1.00 70.23 H new ATOM 0 HD12 LEU A 51 15.187 12.025 -5.621 1.00 70.23 H new ATOM 0 HD13 LEU A 51 16.073 11.069 -4.409 1.00 70.23 H new ATOM 0 HD21 LEU A 51 14.364 8.527 -4.737 1.00 22.54 H new ATOM 0 HD22 LEU A 51 14.825 9.211 -3.160 1.00 22.54 H new ATOM 0 HD23 LEU A 51 13.110 8.931 -3.541 1.00 22.54 H new ATOM 783 N GLU A 52 14.684 14.574 -3.655 1.00 2.44 N ATOM 784 CA GLU A 52 15.731 15.492 -4.090 1.00 30.41 C ATOM 785 C GLU A 52 16.992 15.317 -3.249 1.00 20.44 C ATOM 786 O GLU A 52 16.927 15.231 -2.022 1.00 72.32 O ATOM 787 CB GLU A 52 15.242 16.939 -4.000 1.00 74.43 C ATOM 788 CG GLU A 52 13.936 17.186 -4.737 1.00 11.22 C ATOM 789 CD GLU A 52 13.387 18.580 -4.499 1.00 30.52 C ATOM 790 OE1 GLU A 52 14.168 19.463 -4.088 1.00 14.14 O ATOM 791 OE2 GLU A 52 12.176 18.786 -4.724 1.00 70.12 O ATOM 0 H GLU A 52 14.539 14.547 -2.646 1.00 2.44 H new ATOM 0 HA GLU A 52 15.972 15.261 -5.128 1.00 30.41 H new ATOM 0 HB2 GLU A 52 15.114 17.206 -2.951 1.00 74.43 H new ATOM 0 HB3 GLU A 52 16.009 17.599 -4.405 1.00 74.43 H new ATOM 0 HG2 GLU A 52 14.093 17.039 -5.806 1.00 11.22 H new ATOM 0 HG3 GLU A 52 13.198 16.450 -4.418 1.00 11.22 H new ATOM 798 N VAL A 53 18.140 15.264 -3.917 1.00 52.01 N ATOM 799 CA VAL A 53 19.416 15.100 -3.232 1.00 65.24 C ATOM 800 C VAL A 53 20.183 16.417 -3.175 1.00 74.40 C ATOM 801 O VAL A 53 20.128 17.220 -4.106 1.00 65.15 O ATOM 802 CB VAL A 53 20.292 14.039 -3.925 1.00 23.32 C ATOM 803 CG1 VAL A 53 21.616 13.878 -3.193 1.00 10.32 C ATOM 804 CG2 VAL A 53 19.555 12.711 -4.007 1.00 73.20 C ATOM 0 H VAL A 53 18.212 15.332 -4.932 1.00 52.01 H new ATOM 0 HA VAL A 53 19.191 14.770 -2.218 1.00 65.24 H new ATOM 0 HB VAL A 53 20.504 14.375 -4.940 1.00 23.32 H new ATOM 0 HG11 VAL A 53 22.221 13.124 -3.697 1.00 10.32 H new ATOM 0 HG12 VAL A 53 22.149 14.829 -3.191 1.00 10.32 H new ATOM 0 HG13 VAL A 53 21.428 13.565 -2.166 1.00 10.32 H new ATOM 0 HG21 VAL A 53 20.188 11.973 -4.499 1.00 73.20 H new ATOM 0 HG22 VAL A 53 19.312 12.367 -3.002 1.00 73.20 H new ATOM 0 HG23 VAL A 53 18.636 12.840 -4.579 1.00 73.20 H new ATOM 814 N PHE A 54 20.897 16.632 -2.075 1.00 71.22 N ATOM 815 CA PHE A 54 21.675 17.852 -1.895 1.00 53.14 C ATOM 816 C PHE A 54 23.074 17.534 -1.376 1.00 33.30 C ATOM 817 O PHE A 54 23.241 17.116 -0.230 1.00 51.54 O ATOM 818 CB PHE A 54 20.962 18.798 -0.927 1.00 0.30 C ATOM 819 CG PHE A 54 19.481 18.889 -1.159 1.00 11.41 C ATOM 820 CD1 PHE A 54 18.976 19.626 -2.218 1.00 41.31 C ATOM 821 CD2 PHE A 54 18.593 18.239 -0.317 1.00 62.53 C ATOM 822 CE1 PHE A 54 17.614 19.712 -2.435 1.00 33.14 C ATOM 823 CE2 PHE A 54 17.230 18.320 -0.529 1.00 51.20 C ATOM 824 CZ PHE A 54 16.739 19.059 -1.588 1.00 65.32 C ATOM 0 H PHE A 54 20.953 15.977 -1.295 1.00 71.22 H new ATOM 0 HA PHE A 54 21.769 18.339 -2.865 1.00 53.14 H new ATOM 0 HB2 PHE A 54 21.142 18.463 0.094 1.00 0.30 H new ATOM 0 HB3 PHE A 54 21.398 19.793 -1.017 1.00 0.30 H new ATOM 0 HD1 PHE A 54 19.655 20.140 -2.882 1.00 41.31 H new ATOM 0 HD2 PHE A 54 18.971 17.662 0.515 1.00 62.53 H new ATOM 0 HE1 PHE A 54 17.234 20.289 -3.265 1.00 33.14 H new ATOM 0 HE2 PHE A 54 16.549 17.806 0.133 1.00 51.20 H new ATOM 0 HZ PHE A 54 15.674 19.126 -1.753 1.00 65.32 H new ATOM 834 N GLN A 55 24.074 17.733 -2.228 1.00 3.32 N ATOM 835 CA GLN A 55 25.459 17.466 -1.856 1.00 14.35 C ATOM 836 C GLN A 55 25.830 18.207 -0.575 1.00 64.31 C ATOM 837 O GLN A 55 26.551 17.679 0.273 1.00 73.32 O ATOM 838 CB GLN A 55 26.402 17.876 -2.988 1.00 14.30 C ATOM 839 CG GLN A 55 26.121 17.164 -4.301 1.00 61.12 C ATOM 840 CD GLN A 55 27.385 16.856 -5.080 1.00 20.04 C ATOM 841 OE1 GLN A 55 28.267 17.704 -5.214 1.00 43.31 O ATOM 842 NE2 GLN A 55 27.479 15.637 -5.598 1.00 25.15 N ATOM 0 H GLN A 55 23.952 18.078 -3.180 1.00 3.32 H new ATOM 0 HA GLN A 55 25.561 16.395 -1.678 1.00 14.35 H new ATOM 0 HB2 GLN A 55 26.323 18.952 -3.144 1.00 14.30 H new ATOM 0 HB3 GLN A 55 27.429 17.672 -2.686 1.00 14.30 H new ATOM 0 HG2 GLN A 55 25.588 16.235 -4.099 1.00 61.12 H new ATOM 0 HG3 GLN A 55 25.464 17.783 -4.912 1.00 61.12 H new ATOM 0 HE21 GLN A 55 26.723 14.965 -5.462 1.00 25.15 H new ATOM 0 HE22 GLN A 55 28.307 15.372 -6.132 1.00 25.15 H new ATOM 851 N HIS A 56 25.335 19.433 -0.441 1.00 70.11 N ATOM 852 CA HIS A 56 25.615 20.246 0.737 1.00 42.22 C ATOM 853 C HIS A 56 24.341 20.503 1.536 1.00 70.52 C ATOM 854 O HIS A 56 23.266 20.684 0.966 1.00 32.21 O ATOM 855 CB HIS A 56 26.249 21.575 0.326 1.00 44.33 C ATOM 856 CG HIS A 56 27.491 21.910 1.094 1.00 34.22 C ATOM 857 ND1 HIS A 56 27.474 22.601 2.287 1.00 12.31 N ATOM 858 CD2 HIS A 56 28.792 21.642 0.834 1.00 12.25 C ATOM 859 CE1 HIS A 56 28.711 22.746 2.727 1.00 41.10 C ATOM 860 NE2 HIS A 56 29.530 22.172 1.864 1.00 50.41 N ATOM 0 H HIS A 56 24.738 19.885 -1.133 1.00 70.11 H new ATOM 0 HA HIS A 56 26.314 19.698 1.368 1.00 42.22 H new ATOM 0 HB2 HIS A 56 26.487 21.541 -0.737 1.00 44.33 H new ATOM 0 HB3 HIS A 56 25.520 22.374 0.464 1.00 44.33 H new ATOM 0 HD2 HIS A 56 29.178 21.111 -0.023 1.00 12.25 H new ATOM 0 HE1 HIS A 56 29.003 23.248 3.637 1.00 41.10 H new ATOM 0 HE2 HIS A 56 30.546 22.129 1.949 1.00 50.41 H new ATOM 868 N ASN A 57 24.470 20.515 2.859 1.00 41.25 N ATOM 869 CA ASN A 57 23.328 20.748 3.736 1.00 64.13 C ATOM 870 C ASN A 57 22.900 22.212 3.694 1.00 21.44 C ATOM 871 O ASN A 57 23.432 23.003 2.917 1.00 62.30 O ATOM 872 CB ASN A 57 23.672 20.346 5.171 1.00 34.44 C ATOM 873 CG ASN A 57 24.649 21.305 5.823 1.00 65.55 C ATOM 874 OD1 ASN A 57 25.859 21.211 5.615 1.00 23.20 O ATOM 875 ND2 ASN A 57 24.128 22.233 6.615 1.00 11.44 N ATOM 0 H ASN A 57 25.353 20.366 3.347 1.00 41.25 H new ATOM 0 HA ASN A 57 22.498 20.136 3.383 1.00 64.13 H new ATOM 0 HB2 ASN A 57 22.758 20.305 5.763 1.00 34.44 H new ATOM 0 HB3 ASN A 57 24.097 19.342 5.172 1.00 34.44 H new ATOM 0 HD21 ASN A 57 24.737 22.906 7.081 1.00 11.44 H new ATOM 0 HD22 ASN A 57 23.119 22.273 6.758 1.00 11.44 H new ATOM 882 N ASN A 58 21.935 22.564 4.538 1.00 41.14 N ATOM 883 CA ASN A 58 21.435 23.933 4.598 1.00 71.32 C ATOM 884 C ASN A 58 20.773 24.329 3.281 1.00 25.41 C ATOM 885 O ASN A 58 20.551 25.510 3.016 1.00 10.23 O ATOM 886 CB ASN A 58 22.575 24.901 4.920 1.00 61.21 C ATOM 887 CG ASN A 58 22.110 26.089 5.739 1.00 4.33 C ATOM 888 OD1 ASN A 58 21.864 27.169 5.202 1.00 3.44 O ATOM 889 ND2 ASN A 58 21.989 25.895 7.047 1.00 34.42 N ATOM 0 H ASN A 58 21.484 21.921 5.189 1.00 41.14 H new ATOM 0 HA ASN A 58 20.688 23.986 5.390 1.00 71.32 H new ATOM 0 HB2 ASN A 58 23.356 24.370 5.465 1.00 61.21 H new ATOM 0 HB3 ASN A 58 23.020 25.256 3.991 1.00 61.21 H new ATOM 0 HD21 ASN A 58 21.681 26.658 7.649 1.00 34.42 H new ATOM 0 HD22 ASN A 58 22.204 24.983 7.449 1.00 34.42 H new ATOM 896 N PHE A 59 20.461 23.332 2.459 1.00 11.13 N ATOM 897 CA PHE A 59 19.825 23.576 1.170 1.00 61.43 C ATOM 898 C PHE A 59 20.591 24.630 0.376 1.00 22.20 C ATOM 899 O PHE A 59 20.008 25.380 -0.407 1.00 70.42 O ATOM 900 CB PHE A 59 18.376 24.024 1.368 1.00 33.14 C ATOM 901 CG PHE A 59 17.373 22.930 1.137 1.00 32.04 C ATOM 902 CD1 PHE A 59 17.093 22.007 2.132 1.00 13.44 C ATOM 903 CD2 PHE A 59 16.711 22.824 -0.075 1.00 75.10 C ATOM 904 CE1 PHE A 59 16.170 21.000 1.923 1.00 20.33 C ATOM 905 CE2 PHE A 59 15.787 21.819 -0.290 1.00 33.32 C ATOM 906 CZ PHE A 59 15.517 20.905 0.710 1.00 30.31 C ATOM 0 H PHE A 59 20.638 22.348 2.663 1.00 11.13 H new ATOM 0 HA PHE A 59 19.835 22.643 0.606 1.00 61.43 H new ATOM 0 HB2 PHE A 59 18.258 24.406 2.382 1.00 33.14 H new ATOM 0 HB3 PHE A 59 18.164 24.850 0.689 1.00 33.14 H new ATOM 0 HD1 PHE A 59 17.602 22.075 3.082 1.00 13.44 H new ATOM 0 HD2 PHE A 59 16.919 23.535 -0.861 1.00 75.10 H new ATOM 0 HE1 PHE A 59 15.960 20.288 2.707 1.00 20.33 H new ATOM 0 HE2 PHE A 59 15.276 21.748 -1.239 1.00 33.32 H new ATOM 0 HZ PHE A 59 14.797 20.118 0.543 1.00 30.31 H new ATOM 916 N LYS A 60 21.902 24.682 0.585 1.00 64.43 N ATOM 917 CA LYS A 60 22.751 25.642 -0.110 1.00 52.43 C ATOM 918 C LYS A 60 23.365 25.021 -1.361 1.00 0.13 C ATOM 919 O LYS A 60 23.191 25.529 -2.468 1.00 1.14 O ATOM 920 CB LYS A 60 23.858 26.143 0.820 1.00 21.30 C ATOM 921 CG LYS A 60 24.903 26.994 0.119 1.00 14.34 C ATOM 922 CD LYS A 60 26.096 26.163 -0.320 1.00 5.23 C ATOM 923 CE LYS A 60 27.405 26.905 -0.095 1.00 41.20 C ATOM 924 NZ LYS A 60 28.024 26.555 1.213 1.00 33.15 N ATOM 0 H LYS A 60 22.400 24.070 1.231 1.00 64.43 H new ATOM 0 HA LYS A 60 22.130 26.485 -0.412 1.00 52.43 H new ATOM 0 HB2 LYS A 60 23.409 26.724 1.625 1.00 21.30 H new ATOM 0 HB3 LYS A 60 24.349 25.286 1.281 1.00 21.30 H new ATOM 0 HG2 LYS A 60 24.456 27.478 -0.750 1.00 14.34 H new ATOM 0 HG3 LYS A 60 25.237 27.786 0.789 1.00 14.34 H new ATOM 0 HD2 LYS A 60 26.109 25.223 0.232 1.00 5.23 H new ATOM 0 HD3 LYS A 60 25.996 25.911 -1.376 1.00 5.23 H new ATOM 0 HE2 LYS A 60 28.100 26.668 -0.901 1.00 41.20 H new ATOM 0 HE3 LYS A 60 27.225 27.979 -0.136 1.00 41.20 H new ATOM 0 HZ1 LYS A 60 28.914 27.081 1.328 1.00 33.15 H new ATOM 0 HZ2 LYS A 60 27.372 26.805 1.984 1.00 33.15 H new ATOM 0 HZ3 LYS A 60 28.220 25.534 1.242 1.00 33.15 H new ATOM 938 N GLY A 61 24.083 23.917 -1.176 1.00 44.52 N ATOM 939 CA GLY A 61 24.711 23.245 -2.298 1.00 60.44 C ATOM 940 C GLY A 61 23.731 22.941 -3.414 1.00 51.02 C ATOM 941 O GLY A 61 22.527 23.149 -3.266 1.00 74.32 O ATOM 0 H GLY A 61 24.241 23.477 -0.270 1.00 44.52 H new ATOM 0 HA2 GLY A 61 25.517 23.868 -2.686 1.00 60.44 H new ATOM 0 HA3 GLY A 61 25.164 22.316 -1.953 1.00 60.44 H new ATOM 945 N VAL A 62 24.247 22.449 -4.536 1.00 44.20 N ATOM 946 CA VAL A 62 23.410 22.117 -5.682 1.00 54.11 C ATOM 947 C VAL A 62 22.253 21.212 -5.273 1.00 61.33 C ATOM 948 O VAL A 62 22.375 20.412 -4.345 1.00 2.50 O ATOM 949 CB VAL A 62 24.224 21.423 -6.790 1.00 73.11 C ATOM 950 CG1 VAL A 62 24.755 20.084 -6.303 1.00 23.41 C ATOM 951 CG2 VAL A 62 23.377 21.246 -8.042 1.00 1.44 C ATOM 0 H VAL A 62 25.242 22.272 -4.675 1.00 44.20 H new ATOM 0 HA VAL A 62 23.014 23.056 -6.068 1.00 54.11 H new ATOM 0 HB VAL A 62 25.076 22.055 -7.041 1.00 73.11 H new ATOM 0 HG11 VAL A 62 25.328 19.608 -7.099 1.00 23.41 H new ATOM 0 HG12 VAL A 62 25.398 20.241 -5.437 1.00 23.41 H new ATOM 0 HG13 VAL A 62 23.920 19.442 -6.023 1.00 23.41 H new ATOM 0 HG21 VAL A 62 23.968 20.754 -8.815 1.00 1.44 H new ATOM 0 HG22 VAL A 62 22.505 20.635 -7.808 1.00 1.44 H new ATOM 0 HG23 VAL A 62 23.050 22.222 -8.401 1.00 1.44 H new ATOM 961 N ARG A 63 21.131 21.342 -5.973 1.00 52.40 N ATOM 962 CA ARG A 63 19.951 20.536 -5.683 1.00 1.44 C ATOM 963 C ARG A 63 19.636 19.597 -6.843 1.00 32.55 C ATOM 964 O ARG A 63 19.562 20.021 -7.996 1.00 33.11 O ATOM 965 CB ARG A 63 18.748 21.438 -5.401 1.00 52.11 C ATOM 966 CG ARG A 63 18.278 22.223 -6.615 1.00 33.11 C ATOM 967 CD ARG A 63 17.134 23.161 -6.263 1.00 2.53 C ATOM 968 NE ARG A 63 17.491 24.562 -6.473 1.00 21.01 N ATOM 969 CZ ARG A 63 16.711 25.579 -6.124 1.00 43.35 C ATOM 970 NH1 ARG A 63 15.537 25.353 -5.552 1.00 3.15 N ATOM 971 NH2 ARG A 63 17.106 26.826 -6.349 1.00 12.34 N ATOM 0 H ARG A 63 21.014 21.998 -6.745 1.00 52.40 H new ATOM 0 HA ARG A 63 20.161 19.935 -4.798 1.00 1.44 H new ATOM 0 HB2 ARG A 63 17.924 20.826 -5.033 1.00 52.11 H new ATOM 0 HB3 ARG A 63 19.007 22.136 -4.605 1.00 52.11 H new ATOM 0 HG2 ARG A 63 19.110 22.798 -7.022 1.00 33.11 H new ATOM 0 HG3 ARG A 63 17.957 21.532 -7.394 1.00 33.11 H new ATOM 0 HD2 ARG A 63 16.263 22.914 -6.870 1.00 2.53 H new ATOM 0 HD3 ARG A 63 16.850 23.011 -5.221 1.00 2.53 H new ATOM 0 HE ARG A 63 18.388 24.771 -6.911 1.00 21.01 H new ATOM 0 HH11 ARG A 63 15.230 24.396 -5.379 1.00 3.15 H new ATOM 0 HH12 ARG A 63 14.940 26.136 -5.285 1.00 3.15 H new ATOM 0 HH21 ARG A 63 18.009 27.003 -6.790 1.00 12.34 H new ATOM 0 HH22 ARG A 63 16.507 27.607 -6.081 1.00 12.34 H new ATOM 985 N ASP A 64 19.452 18.319 -6.529 1.00 34.04 N ATOM 986 CA ASP A 64 19.144 17.319 -7.544 1.00 72.32 C ATOM 987 C ASP A 64 17.730 16.776 -7.362 1.00 13.34 C ATOM 988 O ASP A 64 17.021 17.161 -6.431 1.00 43.21 O ATOM 989 CB ASP A 64 20.155 16.173 -7.485 1.00 33.54 C ATOM 990 CG ASP A 64 21.366 16.423 -8.361 1.00 70.33 C ATOM 991 OD1 ASP A 64 21.180 16.704 -9.564 1.00 64.21 O ATOM 992 OD2 ASP A 64 22.499 16.338 -7.845 1.00 4.25 O ATOM 0 H ASP A 64 19.511 17.952 -5.579 1.00 34.04 H new ATOM 0 HA ASP A 64 19.206 17.799 -8.521 1.00 72.32 H new ATOM 0 HB2 ASP A 64 20.479 16.031 -6.454 1.00 33.54 H new ATOM 0 HB3 ASP A 64 19.670 15.248 -7.797 1.00 33.54 H new ATOM 997 N PHE A 65 17.325 15.881 -8.256 1.00 53.24 N ATOM 998 CA PHE A 65 15.994 15.287 -8.195 1.00 42.35 C ATOM 999 C PHE A 65 15.978 13.919 -8.870 1.00 22.41 C ATOM 1000 O PHE A 65 16.704 13.682 -9.836 1.00 23.34 O ATOM 1001 CB PHE A 65 14.970 16.209 -8.862 1.00 22.44 C ATOM 1002 CG PHE A 65 15.383 16.674 -10.229 1.00 12.33 C ATOM 1003 CD1 PHE A 65 15.245 15.844 -11.329 1.00 34.51 C ATOM 1004 CD2 PHE A 65 15.908 17.943 -10.414 1.00 22.14 C ATOM 1005 CE1 PHE A 65 15.624 16.269 -12.588 1.00 3.43 C ATOM 1006 CE2 PHE A 65 16.289 18.375 -11.670 1.00 63.52 C ATOM 1007 CZ PHE A 65 16.146 17.537 -12.759 1.00 21.22 C ATOM 0 H PHE A 65 17.899 15.551 -9.032 1.00 53.24 H new ATOM 0 HA PHE A 65 15.728 15.158 -7.146 1.00 42.35 H new ATOM 0 HB2 PHE A 65 14.017 15.686 -8.938 1.00 22.44 H new ATOM 0 HB3 PHE A 65 14.807 17.078 -8.225 1.00 22.44 H new ATOM 0 HD1 PHE A 65 14.836 14.853 -11.201 1.00 34.51 H new ATOM 0 HD2 PHE A 65 16.021 18.602 -9.566 1.00 22.14 H new ATOM 0 HE1 PHE A 65 15.512 15.611 -13.437 1.00 3.43 H new ATOM 0 HE2 PHE A 65 16.698 19.366 -11.800 1.00 63.52 H new ATOM 0 HZ PHE A 65 16.442 17.872 -13.742 1.00 21.22 H new ATOM 1017 N TYR A 66 15.146 13.021 -8.354 1.00 11.33 N ATOM 1018 CA TYR A 66 15.037 11.675 -8.903 1.00 53.10 C ATOM 1019 C TYR A 66 13.633 11.114 -8.695 1.00 23.01 C ATOM 1020 O TYR A 66 13.112 11.110 -7.579 1.00 72.53 O ATOM 1021 CB TYR A 66 16.069 10.752 -8.254 1.00 32.51 C ATOM 1022 CG TYR A 66 17.160 10.303 -9.200 1.00 35.31 C ATOM 1023 CD1 TYR A 66 16.849 9.732 -10.428 1.00 42.23 C ATOM 1024 CD2 TYR A 66 18.500 10.448 -8.865 1.00 61.02 C ATOM 1025 CE1 TYR A 66 17.842 9.320 -11.296 1.00 23.13 C ATOM 1026 CE2 TYR A 66 19.500 10.040 -9.727 1.00 13.01 C ATOM 1027 CZ TYR A 66 19.166 9.476 -10.941 1.00 11.43 C ATOM 1028 OH TYR A 66 20.159 9.067 -11.801 1.00 52.43 O ATOM 0 H TYR A 66 14.537 13.201 -7.556 1.00 11.33 H new ATOM 0 HA TYR A 66 15.232 11.730 -9.974 1.00 53.10 H new ATOM 0 HB2 TYR A 66 16.523 11.267 -7.407 1.00 32.51 H new ATOM 0 HB3 TYR A 66 15.560 9.874 -7.857 1.00 32.51 H new ATOM 0 HD1 TYR A 66 15.814 9.608 -10.709 1.00 42.23 H new ATOM 0 HD2 TYR A 66 18.765 10.887 -7.915 1.00 61.02 H new ATOM 0 HE1 TYR A 66 17.583 8.878 -12.247 1.00 23.13 H new ATOM 0 HE2 TYR A 66 20.537 10.162 -9.452 1.00 13.01 H new ATOM 0 HH TYR A 66 21.034 9.249 -11.400 1.00 52.43 H new ATOM 1038 N THR A 67 13.026 10.640 -9.778 1.00 70.23 N ATOM 1039 CA THR A 67 11.683 10.076 -9.717 1.00 3.31 C ATOM 1040 C THR A 67 11.636 8.696 -10.363 1.00 1.25 C ATOM 1041 O THR A 67 10.662 8.344 -11.027 1.00 52.55 O ATOM 1042 CB THR A 67 10.658 10.991 -10.412 1.00 53.34 C ATOM 1043 OG1 THR A 67 9.336 10.471 -10.233 1.00 71.41 O ATOM 1044 CG2 THR A 67 10.962 11.115 -11.898 1.00 24.23 C ATOM 0 H THR A 67 13.443 10.635 -10.709 1.00 70.23 H new ATOM 0 HA THR A 67 11.424 9.989 -8.662 1.00 3.31 H new ATOM 0 HB THR A 67 10.723 11.981 -9.960 1.00 53.34 H new ATOM 0 HG1 THR A 67 9.317 9.528 -10.499 1.00 71.41 H new ATOM 0 HG21 THR A 67 10.224 11.766 -12.367 1.00 24.23 H new ATOM 0 HG22 THR A 67 11.957 11.539 -12.032 1.00 24.23 H new ATOM 0 HG23 THR A 67 10.922 10.129 -12.361 1.00 24.23 H new ATOM 1052 N SER A 68 12.695 7.918 -10.162 1.00 35.53 N ATOM 1053 CA SER A 68 12.775 6.576 -10.727 1.00 72.14 C ATOM 1054 C SER A 68 13.965 5.814 -10.153 1.00 2.35 C ATOM 1055 O SER A 68 14.900 6.412 -9.618 1.00 55.25 O ATOM 1056 CB SER A 68 12.889 6.648 -12.251 1.00 52.14 C ATOM 1057 OG SER A 68 12.235 5.550 -12.864 1.00 52.52 O ATOM 0 H SER A 68 13.509 8.194 -9.613 1.00 35.53 H new ATOM 0 HA SER A 68 11.862 6.042 -10.462 1.00 72.14 H new ATOM 0 HB2 SER A 68 12.452 7.581 -12.608 1.00 52.14 H new ATOM 0 HB3 SER A 68 13.940 6.657 -12.540 1.00 52.14 H new ATOM 0 HG SER A 68 12.321 5.620 -13.838 1.00 52.52 H new ATOM 1063 N ASP A 69 13.924 4.491 -10.266 1.00 55.40 N ATOM 1064 CA ASP A 69 14.998 3.646 -9.759 1.00 44.30 C ATOM 1065 C ASP A 69 16.355 4.133 -10.260 1.00 74.10 C ATOM 1066 O ASP A 69 16.713 3.918 -11.417 1.00 43.14 O ATOM 1067 CB ASP A 69 14.776 2.193 -10.182 1.00 1.33 C ATOM 1068 CG ASP A 69 14.305 2.074 -11.618 1.00 30.43 C ATOM 1069 OD1 ASP A 69 13.092 2.245 -11.861 1.00 32.33 O ATOM 1070 OD2 ASP A 69 15.150 1.810 -12.499 1.00 35.24 O ATOM 0 H ASP A 69 13.158 3.980 -10.705 1.00 55.40 H new ATOM 0 HA ASP A 69 14.990 3.704 -8.671 1.00 44.30 H new ATOM 0 HB2 ASP A 69 15.705 1.636 -10.060 1.00 1.33 H new ATOM 0 HB3 ASP A 69 14.040 1.734 -9.522 1.00 1.33 H new ATOM 1075 N ALA A 70 17.103 4.790 -9.381 1.00 4.43 N ATOM 1076 CA ALA A 70 18.420 5.307 -9.733 1.00 61.34 C ATOM 1077 C ALA A 70 19.521 4.343 -9.303 1.00 51.20 C ATOM 1078 O ALA A 70 19.851 4.251 -8.121 1.00 72.11 O ATOM 1079 CB ALA A 70 18.637 6.674 -9.103 1.00 11.40 C ATOM 0 H ALA A 70 16.820 4.977 -8.419 1.00 4.43 H new ATOM 0 HA ALA A 70 18.465 5.408 -10.817 1.00 61.34 H new ATOM 0 HB1 ALA A 70 19.624 7.047 -9.375 1.00 11.40 H new ATOM 0 HB2 ALA A 70 17.876 7.366 -9.464 1.00 11.40 H new ATOM 0 HB3 ALA A 70 18.567 6.590 -8.019 1.00 11.40 H new ATOM 1085 N ALA A 71 20.085 3.627 -10.270 1.00 23.12 N ATOM 1086 CA ALA A 71 21.150 2.671 -9.990 1.00 51.45 C ATOM 1087 C ALA A 71 22.435 3.385 -9.584 1.00 61.42 C ATOM 1088 O ALA A 71 23.382 2.756 -9.113 1.00 34.44 O ATOM 1089 CB ALA A 71 21.396 1.786 -11.203 1.00 41.12 C ATOM 0 H ALA A 71 19.823 3.691 -11.254 1.00 23.12 H new ATOM 0 HA ALA A 71 20.834 2.045 -9.155 1.00 51.45 H new ATOM 0 HB1 ALA A 71 22.193 1.077 -10.980 1.00 41.12 H new ATOM 0 HB2 ALA A 71 20.484 1.241 -11.447 1.00 41.12 H new ATOM 0 HB3 ALA A 71 21.687 2.405 -12.052 1.00 41.12 H new ATOM 1095 N GLU A 72 22.461 4.701 -9.771 1.00 73.52 N ATOM 1096 CA GLU A 72 23.631 5.498 -9.425 1.00 25.10 C ATOM 1097 C GLU A 72 23.223 6.777 -8.700 1.00 44.33 C ATOM 1098 O GLU A 72 22.450 7.581 -9.223 1.00 71.12 O ATOM 1099 CB GLU A 72 24.431 5.844 -10.683 1.00 54.01 C ATOM 1100 CG GLU A 72 25.931 5.907 -10.453 1.00 1.21 C ATOM 1101 CD GLU A 72 26.510 7.276 -10.753 1.00 63.05 C ATOM 1102 OE1 GLU A 72 26.067 8.259 -10.123 1.00 22.55 O ATOM 1103 OE2 GLU A 72 27.406 7.365 -11.619 1.00 72.11 O ATOM 0 H GLU A 72 21.685 5.237 -10.160 1.00 73.52 H new ATOM 0 HA GLU A 72 24.257 4.906 -8.757 1.00 25.10 H new ATOM 0 HB2 GLU A 72 24.221 5.101 -11.452 1.00 54.01 H new ATOM 0 HB3 GLU A 72 24.090 6.806 -11.067 1.00 54.01 H new ATOM 0 HG2 GLU A 72 26.147 5.644 -9.418 1.00 1.21 H new ATOM 0 HG3 GLU A 72 26.423 5.163 -11.080 1.00 1.21 H new ATOM 1110 N LEU A 73 23.748 6.960 -7.494 1.00 21.44 N ATOM 1111 CA LEU A 73 23.439 8.141 -6.695 1.00 71.14 C ATOM 1112 C LEU A 73 23.661 9.416 -7.502 1.00 3.44 C ATOM 1113 O LEU A 73 24.617 9.518 -8.271 1.00 72.41 O ATOM 1114 CB LEU A 73 24.300 8.166 -5.431 1.00 41.24 C ATOM 1115 CG LEU A 73 23.907 9.196 -4.372 1.00 33.13 C ATOM 1116 CD1 LEU A 73 24.393 10.581 -4.767 1.00 44.40 C ATOM 1117 CD2 LEU A 73 22.399 9.197 -4.163 1.00 43.53 C ATOM 0 H LEU A 73 24.390 6.305 -7.047 1.00 21.44 H new ATOM 0 HA LEU A 73 22.388 8.092 -6.409 1.00 71.14 H new ATOM 0 HB2 LEU A 73 24.270 7.176 -4.975 1.00 41.24 H new ATOM 0 HB3 LEU A 73 25.334 8.351 -5.723 1.00 41.24 H new ATOM 0 HG LEU A 73 24.384 8.921 -3.431 1.00 33.13 H new ATOM 0 HD11 LEU A 73 24.104 11.300 -4.001 1.00 44.40 H new ATOM 0 HD12 LEU A 73 25.479 10.572 -4.864 1.00 44.40 H new ATOM 0 HD13 LEU A 73 23.946 10.866 -5.719 1.00 44.40 H new ATOM 0 HD21 LEU A 73 22.137 9.936 -3.406 1.00 43.53 H new ATOM 0 HD22 LEU A 73 21.902 9.446 -5.101 1.00 43.53 H new ATOM 0 HD23 LEU A 73 22.077 8.209 -3.833 1.00 43.53 H new ATOM 1129 N SER A 74 22.774 10.389 -7.318 1.00 72.32 N ATOM 1130 CA SER A 74 22.872 11.658 -8.030 1.00 22.24 C ATOM 1131 C SER A 74 24.277 12.240 -7.910 1.00 1.33 C ATOM 1132 O SER A 74 24.723 12.595 -6.818 1.00 53.13 O ATOM 1133 CB SER A 74 21.847 12.653 -7.484 1.00 53.40 C ATOM 1134 OG SER A 74 20.963 13.086 -8.504 1.00 30.20 O ATOM 0 H SER A 74 21.979 10.323 -6.682 1.00 72.32 H new ATOM 0 HA SER A 74 22.663 11.473 -9.084 1.00 22.24 H new ATOM 0 HB2 SER A 74 21.278 12.189 -6.678 1.00 53.40 H new ATOM 0 HB3 SER A 74 22.362 13.513 -7.056 1.00 53.40 H new ATOM 0 HG SER A 74 20.457 12.319 -8.845 1.00 30.20 H new ATOM 1140 N ARG A 75 24.970 12.335 -9.040 1.00 12.51 N ATOM 1141 CA ARG A 75 26.325 12.873 -9.063 1.00 13.54 C ATOM 1142 C ARG A 75 27.257 12.034 -8.194 1.00 44.51 C ATOM 1143 O ARG A 75 26.854 11.011 -7.642 1.00 62.51 O ATOM 1144 CB ARG A 75 26.328 14.325 -8.579 1.00 21.20 C ATOM 1145 CG ARG A 75 25.413 15.236 -9.380 1.00 51.04 C ATOM 1146 CD ARG A 75 25.930 15.439 -10.796 1.00 54.01 C ATOM 1147 NE ARG A 75 25.026 14.875 -11.795 1.00 32.31 N ATOM 1148 CZ ARG A 75 25.323 14.783 -13.086 1.00 73.14 C ATOM 1149 NH1 ARG A 75 26.494 15.216 -13.533 1.00 74.41 N ATOM 1150 NH2 ARG A 75 24.448 14.257 -13.934 1.00 34.12 N ATOM 0 H ARG A 75 24.615 12.046 -9.952 1.00 12.51 H new ATOM 0 HA ARG A 75 26.686 12.839 -10.091 1.00 13.54 H new ATOM 0 HB2 ARG A 75 26.026 14.351 -7.532 1.00 21.20 H new ATOM 0 HB3 ARG A 75 27.345 14.713 -8.627 1.00 21.20 H new ATOM 0 HG2 ARG A 75 24.411 14.808 -9.415 1.00 51.04 H new ATOM 0 HG3 ARG A 75 25.330 16.201 -8.880 1.00 51.04 H new ATOM 0 HD2 ARG A 75 26.060 16.505 -10.985 1.00 54.01 H new ATOM 0 HD3 ARG A 75 26.912 14.976 -10.893 1.00 54.01 H new ATOM 0 HE ARG A 75 24.117 14.533 -11.484 1.00 32.31 H new ATOM 0 HH11 ARG A 75 27.169 15.621 -12.885 1.00 74.41 H new ATOM 0 HH12 ARG A 75 26.719 15.144 -14.525 1.00 74.41 H new ATOM 0 HH21 ARG A 75 23.546 13.923 -13.594 1.00 34.12 H new ATOM 0 HH22 ARG A 75 24.677 14.187 -14.925 1.00 34.12 H new ATOM 1164 N ASP A 76 28.505 12.475 -8.078 1.00 42.23 N ATOM 1165 CA ASP A 76 29.496 11.766 -7.277 1.00 35.42 C ATOM 1166 C ASP A 76 28.980 11.528 -5.861 1.00 13.31 C ATOM 1167 O ASP A 76 28.096 12.239 -5.385 1.00 12.23 O ATOM 1168 CB ASP A 76 30.805 12.554 -7.230 1.00 42.13 C ATOM 1169 CG ASP A 76 31.843 12.010 -8.192 1.00 40.03 C ATOM 1170 OD1 ASP A 76 32.563 11.062 -7.814 1.00 55.23 O ATOM 1171 OD2 ASP A 76 31.936 12.533 -9.323 1.00 23.31 O ATOM 0 H ASP A 76 28.854 13.321 -8.529 1.00 42.23 H new ATOM 0 HA ASP A 76 29.681 10.799 -7.745 1.00 35.42 H new ATOM 0 HB2 ASP A 76 30.605 13.599 -7.468 1.00 42.13 H new ATOM 0 HB3 ASP A 76 31.205 12.529 -6.216 1.00 42.13 H new ATOM 1176 N ASN A 77 29.538 10.523 -5.194 1.00 13.21 N ATOM 1177 CA ASN A 77 29.133 10.191 -3.833 1.00 32.02 C ATOM 1178 C ASN A 77 29.238 11.410 -2.921 1.00 73.22 C ATOM 1179 O ASN A 77 30.325 11.767 -2.468 1.00 43.45 O ATOM 1180 CB ASN A 77 29.998 9.054 -3.284 1.00 55.14 C ATOM 1181 CG ASN A 77 31.469 9.244 -3.598 1.00 1.12 C ATOM 1182 OD1 ASN A 77 32.206 9.858 -2.825 1.00 75.33 O ATOM 1183 ND2 ASN A 77 31.904 8.717 -4.736 1.00 42.04 N ATOM 0 H ASN A 77 30.272 9.925 -5.574 1.00 13.21 H new ATOM 0 HA ASN A 77 28.092 9.867 -3.859 1.00 32.02 H new ATOM 0 HB2 ASN A 77 29.865 8.989 -2.204 1.00 55.14 H new ATOM 0 HB3 ASN A 77 29.659 8.107 -3.705 1.00 55.14 H new ATOM 0 HD21 ASN A 77 32.884 8.813 -5.000 1.00 42.04 H new ATOM 0 HD22 ASN A 77 31.258 8.216 -5.346 1.00 42.04 H new ATOM 1190 N ASP A 78 28.100 12.043 -2.656 1.00 23.21 N ATOM 1191 CA ASP A 78 28.063 13.221 -1.797 1.00 22.31 C ATOM 1192 C ASP A 78 26.636 13.739 -1.648 1.00 4.55 C ATOM 1193 O ASP A 78 26.089 14.351 -2.564 1.00 52.41 O ATOM 1194 CB ASP A 78 28.962 14.320 -2.364 1.00 42.41 C ATOM 1195 CG ASP A 78 29.919 14.877 -1.329 1.00 4.14 C ATOM 1196 OD1 ASP A 78 29.442 15.452 -0.327 1.00 64.34 O ATOM 1197 OD2 ASP A 78 31.145 14.737 -1.519 1.00 4.51 O ATOM 0 H ASP A 78 27.192 11.760 -3.024 1.00 23.21 H new ATOM 0 HA ASP A 78 28.431 12.935 -0.812 1.00 22.31 H new ATOM 0 HB2 ASP A 78 29.531 13.922 -3.204 1.00 42.41 H new ATOM 0 HB3 ASP A 78 28.342 15.128 -2.753 1.00 42.41 H new ATOM 1202 N ALA A 79 26.040 13.490 -0.487 1.00 32.44 N ATOM 1203 CA ALA A 79 24.677 13.932 -0.217 1.00 4.11 C ATOM 1204 C ALA A 79 24.521 14.376 1.234 1.00 44.14 C ATOM 1205 O ALA A 79 24.005 13.633 2.068 1.00 24.12 O ATOM 1206 CB ALA A 79 23.688 12.822 -0.540 1.00 42.24 C ATOM 0 H ALA A 79 26.479 12.984 0.282 1.00 32.44 H new ATOM 0 HA ALA A 79 24.466 14.789 -0.857 1.00 4.11 H new ATOM 0 HB1 ALA A 79 22.675 13.166 -0.334 1.00 42.24 H new ATOM 0 HB2 ALA A 79 23.773 12.554 -1.593 1.00 42.24 H new ATOM 0 HB3 ALA A 79 23.907 11.949 0.075 1.00 42.24 H new ATOM 1212 N SER A 80 24.971 15.592 1.527 1.00 2.00 N ATOM 1213 CA SER A 80 24.885 16.133 2.878 1.00 4.24 C ATOM 1214 C SER A 80 23.462 16.025 3.418 1.00 43.25 C ATOM 1215 O SER A 80 23.253 15.717 4.591 1.00 72.24 O ATOM 1216 CB SER A 80 25.340 17.594 2.895 1.00 31.13 C ATOM 1217 OG SER A 80 26.753 17.689 2.863 1.00 24.44 O ATOM 0 H SER A 80 25.399 16.221 0.847 1.00 2.00 H new ATOM 0 HA SER A 80 25.543 15.547 3.520 1.00 4.24 H new ATOM 0 HB2 SER A 80 24.918 18.120 2.038 1.00 31.13 H new ATOM 0 HB3 SER A 80 24.960 18.086 3.790 1.00 31.13 H new ATOM 0 HG SER A 80 27.066 17.597 1.939 1.00 24.44 H new ATOM 1223 N SER A 81 22.487 16.282 2.551 1.00 21.25 N ATOM 1224 CA SER A 81 21.083 16.218 2.940 1.00 21.32 C ATOM 1225 C SER A 81 20.214 15.776 1.767 1.00 62.43 C ATOM 1226 O SER A 81 20.557 16.001 0.606 1.00 53.21 O ATOM 1227 CB SER A 81 20.612 17.579 3.454 1.00 14.41 C ATOM 1228 OG SER A 81 19.198 17.672 3.429 1.00 12.21 O ATOM 0 H SER A 81 22.644 16.536 1.576 1.00 21.25 H new ATOM 0 HA SER A 81 20.986 15.483 3.739 1.00 21.32 H new ATOM 0 HB2 SER A 81 20.972 17.731 4.472 1.00 14.41 H new ATOM 0 HB3 SER A 81 21.043 18.371 2.842 1.00 14.41 H new ATOM 0 HG SER A 81 18.820 17.091 4.121 1.00 12.21 H new ATOM 1234 N VAL A 82 19.087 15.144 2.078 1.00 32.12 N ATOM 1235 CA VAL A 82 18.167 14.670 1.051 1.00 51.30 C ATOM 1236 C VAL A 82 16.730 14.666 1.560 1.00 52.11 C ATOM 1237 O VAL A 82 16.470 14.320 2.712 1.00 34.32 O ATOM 1238 CB VAL A 82 18.536 13.252 0.577 1.00 23.04 C ATOM 1239 CG1 VAL A 82 19.957 13.223 0.035 1.00 23.05 C ATOM 1240 CG2 VAL A 82 18.369 12.252 1.711 1.00 31.32 C ATOM 0 H VAL A 82 18.789 14.948 3.034 1.00 32.12 H new ATOM 0 HA VAL A 82 18.250 15.359 0.210 1.00 51.30 H new ATOM 0 HB VAL A 82 17.859 12.969 -0.229 1.00 23.04 H new ATOM 0 HG11 VAL A 82 20.200 12.213 -0.295 1.00 23.05 H new ATOM 0 HG12 VAL A 82 20.039 13.910 -0.807 1.00 23.05 H new ATOM 0 HG13 VAL A 82 20.652 13.525 0.819 1.00 23.05 H new ATOM 0 HG21 VAL A 82 18.634 11.255 1.359 1.00 31.32 H new ATOM 0 HG22 VAL A 82 19.021 12.529 2.540 1.00 31.32 H new ATOM 0 HG23 VAL A 82 17.333 12.254 2.048 1.00 31.32 H new ATOM 1250 N ARG A 83 15.800 15.053 0.693 1.00 72.11 N ATOM 1251 CA ARG A 83 14.388 15.094 1.055 1.00 40.54 C ATOM 1252 C ARG A 83 13.592 14.066 0.257 1.00 72.12 C ATOM 1253 O ARG A 83 13.932 13.750 -0.883 1.00 42.14 O ATOM 1254 CB ARG A 83 13.819 16.494 0.814 1.00 60.00 C ATOM 1255 CG ARG A 83 14.096 17.033 -0.580 1.00 62.30 C ATOM 1256 CD ARG A 83 12.807 17.320 -1.333 1.00 35.21 C ATOM 1257 NE ARG A 83 12.478 18.743 -1.333 1.00 31.21 N ATOM 1258 CZ ARG A 83 11.358 19.238 -1.847 1.00 51.42 C ATOM 1259 NH1 ARG A 83 10.464 18.430 -2.399 1.00 53.24 N ATOM 1260 NH2 ARG A 83 11.130 20.545 -1.809 1.00 44.12 N ATOM 0 H ARG A 83 15.999 15.343 -0.265 1.00 72.11 H new ATOM 0 HA ARG A 83 14.303 14.851 2.114 1.00 40.54 H new ATOM 0 HB2 ARG A 83 12.742 16.472 0.978 1.00 60.00 H new ATOM 0 HB3 ARG A 83 14.240 17.180 1.550 1.00 60.00 H new ATOM 0 HG2 ARG A 83 14.687 17.946 -0.507 1.00 62.30 H new ATOM 0 HG3 ARG A 83 14.692 16.311 -1.139 1.00 62.30 H new ATOM 0 HD2 ARG A 83 12.902 16.970 -2.361 1.00 35.21 H new ATOM 0 HD3 ARG A 83 11.990 16.759 -0.880 1.00 35.21 H new ATOM 0 HE ARG A 83 13.145 19.392 -0.915 1.00 31.21 H new ATOM 0 HH11 ARG A 83 10.635 17.425 -2.430 1.00 53.24 H new ATOM 0 HH12 ARG A 83 9.605 18.813 -2.793 1.00 53.24 H new ATOM 0 HH21 ARG A 83 11.815 21.170 -1.385 1.00 44.12 H new ATOM 0 HH22 ARG A 83 10.269 20.924 -2.204 1.00 44.12 H new ATOM 1274 N VAL A 84 12.530 13.546 0.865 1.00 41.04 N ATOM 1275 CA VAL A 84 11.685 12.554 0.211 1.00 31.34 C ATOM 1276 C VAL A 84 10.208 12.871 0.413 1.00 14.45 C ATOM 1277 O VAL A 84 9.792 13.276 1.499 1.00 31.12 O ATOM 1278 CB VAL A 84 11.971 11.136 0.742 1.00 41.22 C ATOM 1279 CG1 VAL A 84 13.464 10.848 0.717 1.00 64.12 C ATOM 1280 CG2 VAL A 84 11.411 10.970 2.146 1.00 2.35 C ATOM 0 H VAL A 84 12.235 13.795 1.809 1.00 41.04 H new ATOM 0 HA VAL A 84 11.919 12.591 -0.853 1.00 31.34 H new ATOM 0 HB VAL A 84 11.475 10.416 0.091 1.00 41.22 H new ATOM 0 HG11 VAL A 84 13.647 9.842 1.095 1.00 64.12 H new ATOM 0 HG12 VAL A 84 13.832 10.923 -0.306 1.00 64.12 H new ATOM 0 HG13 VAL A 84 13.985 11.572 1.344 1.00 64.12 H new ATOM 0 HG21 VAL A 84 11.622 9.963 2.505 1.00 2.35 H new ATOM 0 HG22 VAL A 84 11.876 11.697 2.811 1.00 2.35 H new ATOM 0 HG23 VAL A 84 10.333 11.131 2.129 1.00 2.35 H new ATOM 1290 N SER A 85 9.418 12.685 -0.640 1.00 4.03 N ATOM 1291 CA SER A 85 7.987 12.955 -0.579 1.00 73.14 C ATOM 1292 C SER A 85 7.248 12.218 -1.692 1.00 75.20 C ATOM 1293 O SER A 85 7.752 12.085 -2.807 1.00 63.21 O ATOM 1294 CB SER A 85 7.725 14.458 -0.687 1.00 13.44 C ATOM 1295 OG SER A 85 8.291 15.154 0.410 1.00 13.25 O ATOM 0 H SER A 85 9.745 12.348 -1.545 1.00 4.03 H new ATOM 0 HA SER A 85 7.615 12.597 0.381 1.00 73.14 H new ATOM 0 HB2 SER A 85 8.145 14.838 -1.618 1.00 13.44 H new ATOM 0 HB3 SER A 85 6.651 14.642 -0.723 1.00 13.44 H new ATOM 0 HG SER A 85 8.640 14.510 1.061 1.00 13.25 H new ATOM 1301 N LYS A 86 6.048 11.740 -1.381 1.00 34.34 N ATOM 1302 CA LYS A 86 5.236 11.017 -2.352 1.00 72.42 C ATOM 1303 C LYS A 86 4.545 11.982 -3.310 1.00 32.00 C ATOM 1304 O LYS A 86 3.982 12.992 -2.889 1.00 4.32 O ATOM 1305 CB LYS A 86 4.192 10.157 -1.636 1.00 54.02 C ATOM 1306 CG LYS A 86 4.794 9.105 -0.721 1.00 12.11 C ATOM 1307 CD LYS A 86 4.046 9.020 0.599 1.00 54.01 C ATOM 1308 CE LYS A 86 2.596 8.608 0.392 1.00 0.34 C ATOM 1309 NZ LYS A 86 1.650 9.677 0.816 1.00 0.52 N ATOM 0 H LYS A 86 5.616 11.841 -0.463 1.00 34.34 H new ATOM 0 HA LYS A 86 5.896 10.370 -2.930 1.00 72.42 H new ATOM 0 HB2 LYS A 86 3.539 10.805 -1.051 1.00 54.02 H new ATOM 0 HB3 LYS A 86 3.567 9.664 -2.381 1.00 54.02 H new ATOM 0 HG2 LYS A 86 4.771 8.134 -1.216 1.00 12.11 H new ATOM 0 HG3 LYS A 86 5.841 9.342 -0.532 1.00 12.11 H new ATOM 0 HD2 LYS A 86 4.540 8.301 1.253 1.00 54.01 H new ATOM 0 HD3 LYS A 86 4.083 9.986 1.102 1.00 54.01 H new ATOM 0 HE2 LYS A 86 2.432 8.374 -0.660 1.00 0.34 H new ATOM 0 HE3 LYS A 86 2.393 7.698 0.957 1.00 0.34 H new ATOM 0 HZ1 LYS A 86 0.673 9.358 0.659 1.00 0.52 H new ATOM 0 HZ2 LYS A 86 1.789 9.883 1.826 1.00 0.52 H new ATOM 0 HZ3 LYS A 86 1.827 10.538 0.259 1.00 0.52 H new ATOM 1323 N MET A 87 4.590 11.663 -4.599 1.00 41.13 N ATOM 1324 CA MET A 87 3.966 12.502 -5.616 1.00 34.31 C ATOM 1325 C MET A 87 2.568 11.994 -5.956 1.00 60.21 C ATOM 1326 O MET A 87 1.618 12.772 -6.037 1.00 4.11 O ATOM 1327 CB MET A 87 4.829 12.538 -6.878 1.00 50.14 C ATOM 1328 CG MET A 87 5.243 13.941 -7.291 1.00 4.31 C ATOM 1329 SD MET A 87 5.922 14.003 -8.960 1.00 61.52 S ATOM 1330 CE MET A 87 4.420 14.046 -9.935 1.00 0.11 C ATOM 0 H MET A 87 5.052 10.830 -4.964 1.00 41.13 H new ATOM 0 HA MET A 87 3.879 13.512 -5.215 1.00 34.31 H new ATOM 0 HB2 MET A 87 5.724 11.938 -6.714 1.00 50.14 H new ATOM 0 HB3 MET A 87 4.280 12.074 -7.697 1.00 50.14 H new ATOM 0 HG2 MET A 87 4.379 14.603 -7.230 1.00 4.31 H new ATOM 0 HG3 MET A 87 5.985 14.319 -6.587 1.00 4.31 H new ATOM 0 HE1 MET A 87 4.675 14.086 -10.994 1.00 0.11 H new ATOM 0 HE2 MET A 87 3.832 13.150 -9.737 1.00 0.11 H new ATOM 0 HE3 MET A 87 3.838 14.928 -9.668 1.00 0.11 H new