USER MOD reduce.3.24.130724 H: found=0, std=0, add=1247, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1248 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 151 LYS NZ :NH3+ -113:sc= 0.771 (180deg=0) USER MOD Set 1.2: A 155 GLN :FLIP amide:sc= 0.56 F(o=-0.81,f=1.3) USER MOD Set 2.1: A 23 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 130 LYS NZ :NH3+ 169:sc= 0.226 (180deg=0.152) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.346 USER MOD Single : A 22 SER OG : rot 180:sc= 0.0228 USER MOD Single : A 28 LYS NZ :NH3+ -153:sc= -0.0256 (180deg=-0.344) USER MOD Single : A 29 GLN : amide:sc= -1.56 K(o=-1.6,f=-6.6!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -58:sc= 0.0195 USER MOD Single : A 45 CYS SG : rot 150:sc= -1.99 USER MOD Single : A 46 ASN : amide:sc= -0.104 K(o=-0.1,f=-1.7!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= -0.117 USER MOD Single : A 49 ASN : amide:sc= -0.0316 X(o=-0.032,f=0) USER MOD Single : A 50 MET CE :methyl -166:sc= -6! (180deg=-6.57!) USER MOD Single : A 62 ASN :FLIP amide:sc= 0.328 F(o=-1.3!,f=0.33) USER MOD Single : A 64 ASN : amide:sc= -0.826 K(o=-0.83,f=-8.1!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -142:sc= 0 (180deg=-0.353) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.766 K(o=-0.77,f=-2.3) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 136:sc= 0.335 (180deg=0.00395) USER MOD Single : A 90 THR OG1 : rot 73:sc= -0.356 USER MOD Single : A 98 TYR OH : rot 79:sc= -2.72! USER MOD Single : A 101 TYR OH : rot 142:sc= -2.62! USER MOD Single : A 103 GLN : amide:sc= -0.489 X(o=-0.49,f=0) USER MOD Single : A 104 ASN : amide:sc= -0.143 X(o=-0.14,f=-0.007) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 170:sc= -0.689 USER MOD Single : A 112 GLN : amide:sc= -5.08! C(o=-5.1!,f=-4.6!) USER MOD Single : A 117 GLN : amide:sc= -3.48 K(o=-3.5,f=-6.2!) USER MOD Single : A 118 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 THR OG1 : rot -31:sc= -3.74! USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 GLN : amide:sc= -0.495 K(o=-0.5,f=-3.5!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= -0.576 K(o=-0.58,f=-2.2!) USER MOD Single : A 138 THR OG1 : rot 180:sc= -0.0735 USER MOD Single : A 139 THR OG1 : rot 180:sc= 0 USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 ASN : amide:sc= -7.5! C(o=-7.5!,f=-9!) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 153 GLN : amide:sc= -0.36 K(o=-0.36,f=-3.1!) USER MOD Single : A 156 ASN : amide:sc= -0.49 X(o=-0.49,f=-0.043) USER MOD Single : A 157 GLN : amide:sc= -0.156 K(o=-0.16,f=-0.96) USER MOD Single : A 160 GLN :FLIP amide:sc= 0.274 F(o=-0.42,f=0.27) USER MOD Single : A 162 MET CE :methyl -137:sc= -9.06! (180deg=-19.1!) USER MOD Single : A 163 THR OG1 : rot 82:sc= 1.26 USER MOD Single : A 164 THR OG1 : rot 180:sc= -0.698 USER MOD Single : A 165 HIS : no HD1:sc= -0.206 K(o=-0.21,f=-1.2) USER MOD Single : A 170 SER OG : rot -170:sc= 0 USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 176 GLN : amide:sc= -0.115 X(o=-0.12,f=0) USER MOD Single : A 177 SER OG : rot -123:sc= 0.265 USER MOD Single : A 178 SER OG : rot 67:sc= 0.279 USER MOD Single : A 184 GLN : amide:sc= -0.816 K(o=-0.82,f=-3!) USER MOD Single : A 185 MET CE :methyl -104:sc= -2.79 (180deg=-5.07!) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 21 19.925 11.062 0.093 1.00 1.09 N ATOM 21 CA THR A 21 20.124 10.056 -0.988 1.00 1.21 C ATOM 22 C THR A 21 18.758 9.557 -1.471 1.00 1.06 C ATOM 23 O THR A 21 17.732 9.909 -0.926 1.00 0.89 O ATOM 24 CB THR A 21 20.944 8.882 -0.442 1.00 1.35 C ATOM 25 OG1 THR A 21 20.986 7.840 -1.407 1.00 1.65 O ATOM 26 CG2 THR A 21 20.304 8.364 0.846 1.00 1.30 C ATOM 0 HA THR A 21 20.658 10.510 -1.823 1.00 1.21 H new ATOM 0 HB THR A 21 21.959 9.218 -0.230 1.00 1.35 H new ATOM 0 HG1 THR A 21 21.512 7.091 -1.057 1.00 1.65 H new ATOM 0 HG21 THR A 21 20.889 7.529 1.233 1.00 1.30 H new ATOM 0 HG22 THR A 21 20.279 9.163 1.587 1.00 1.30 H new ATOM 0 HG23 THR A 21 19.288 8.030 0.638 1.00 1.30 H new ATOM 34 N SER A 22 18.738 8.744 -2.493 1.00 1.17 N ATOM 35 CA SER A 22 17.440 8.227 -3.019 1.00 1.09 C ATOM 36 C SER A 22 16.597 7.655 -1.876 1.00 0.89 C ATOM 37 O SER A 22 15.384 7.636 -1.939 1.00 0.93 O ATOM 38 CB SER A 22 17.716 7.128 -4.044 1.00 1.26 C ATOM 39 OG SER A 22 18.779 7.540 -4.895 1.00 0.87 O ATOM 0 H SER A 22 19.567 8.414 -2.988 1.00 1.17 H new ATOM 0 HA SER A 22 16.893 9.045 -3.488 1.00 1.09 H new ATOM 0 HB2 SER A 22 17.978 6.199 -3.538 1.00 1.26 H new ATOM 0 HB3 SER A 22 16.820 6.928 -4.632 1.00 1.26 H new ATOM 0 HG SER A 22 18.962 6.838 -5.554 1.00 0.87 H new ATOM 45 N SER A 23 17.224 7.190 -0.831 1.00 0.70 N ATOM 46 CA SER A 23 16.449 6.623 0.310 1.00 0.49 C ATOM 47 C SER A 23 15.788 7.761 1.088 1.00 0.37 C ATOM 48 O SER A 23 14.608 7.720 1.377 1.00 0.30 O ATOM 49 CB SER A 23 17.388 5.845 1.235 1.00 0.48 C ATOM 50 OG SER A 23 17.645 4.564 0.675 1.00 1.55 O ATOM 0 H SER A 23 18.238 7.178 -0.717 1.00 0.70 H new ATOM 0 HA SER A 23 15.682 5.949 -0.071 1.00 0.49 H new ATOM 0 HB2 SER A 23 18.322 6.391 1.366 1.00 0.48 H new ATOM 0 HB3 SER A 23 16.939 5.739 2.223 1.00 0.48 H new ATOM 0 HG SER A 23 18.248 4.064 1.265 1.00 1.55 H new ATOM 56 N GLU A 24 16.528 8.783 1.419 1.00 0.38 N ATOM 57 CA GLU A 24 15.916 9.921 2.160 1.00 0.32 C ATOM 58 C GLU A 24 14.777 10.490 1.316 1.00 0.27 C ATOM 59 O GLU A 24 13.831 11.059 1.825 1.00 0.29 O ATOM 60 CB GLU A 24 16.966 11.005 2.410 1.00 0.40 C ATOM 61 CG GLU A 24 17.974 10.509 3.451 1.00 1.48 C ATOM 62 CD GLU A 24 17.311 10.479 4.829 1.00 1.47 C ATOM 63 OE1 GLU A 24 16.328 11.180 5.008 1.00 1.21 O ATOM 64 OE2 GLU A 24 17.795 9.754 5.683 1.00 2.35 O ATOM 0 H GLU A 24 17.522 8.879 1.211 1.00 0.38 H new ATOM 0 HA GLU A 24 15.535 9.577 3.121 1.00 0.32 H new ATOM 0 HB2 GLU A 24 17.479 11.251 1.480 1.00 0.40 H new ATOM 0 HB3 GLU A 24 16.485 11.918 2.760 1.00 0.40 H new ATOM 0 HG2 GLU A 24 18.328 9.513 3.184 1.00 1.48 H new ATOM 0 HG3 GLU A 24 18.846 11.163 3.469 1.00 1.48 H new ATOM 71 N ARG A 25 14.855 10.323 0.021 1.00 0.36 N ATOM 72 CA ARG A 25 13.776 10.832 -0.867 1.00 0.32 C ATOM 73 C ARG A 25 12.603 9.852 -0.817 1.00 0.27 C ATOM 74 O ARG A 25 11.455 10.235 -0.919 1.00 0.22 O ATOM 75 CB ARG A 25 14.301 10.930 -2.302 1.00 0.44 C ATOM 76 CG ARG A 25 14.536 12.398 -2.668 1.00 0.48 C ATOM 77 CD ARG A 25 15.749 12.501 -3.596 1.00 0.77 C ATOM 78 NE ARG A 25 15.828 13.876 -4.166 1.00 0.64 N ATOM 79 CZ ARG A 25 16.948 14.543 -4.107 1.00 1.46 C ATOM 80 NH1 ARG A 25 17.981 14.143 -4.797 1.00 2.48 N ATOM 81 NH2 ARG A 25 17.036 15.607 -3.357 1.00 2.33 N ATOM 0 H ARG A 25 15.624 9.854 -0.458 1.00 0.36 H new ATOM 0 HA ARG A 25 13.452 11.819 -0.537 1.00 0.32 H new ATOM 0 HB2 ARG A 25 15.230 10.368 -2.398 1.00 0.44 H new ATOM 0 HB3 ARG A 25 13.585 10.483 -2.992 1.00 0.44 H new ATOM 0 HG2 ARG A 25 13.653 12.808 -3.158 1.00 0.48 H new ATOM 0 HG3 ARG A 25 14.703 12.987 -1.766 1.00 0.48 H new ATOM 0 HD2 ARG A 25 16.661 12.272 -3.045 1.00 0.77 H new ATOM 0 HD3 ARG A 25 15.669 11.768 -4.399 1.00 0.77 H new ATOM 0 HE ARG A 25 15.007 14.295 -4.602 1.00 0.64 H new ATOM 0 HH11 ARG A 25 17.912 13.310 -5.382 1.00 2.48 H new ATOM 0 HH12 ARG A 25 18.857 14.663 -4.752 1.00 2.48 H new ATOM 0 HH21 ARG A 25 16.229 15.918 -2.816 1.00 2.33 H new ATOM 0 HH22 ARG A 25 17.912 16.128 -3.311 1.00 2.33 H new ATOM 95 N ILE A 26 12.888 8.588 -0.655 1.00 0.33 N ATOM 96 CA ILE A 26 11.795 7.577 -0.592 1.00 0.35 C ATOM 97 C ILE A 26 11.053 7.727 0.745 1.00 0.19 C ATOM 98 O ILE A 26 9.908 7.339 0.874 1.00 0.47 O ATOM 99 CB ILE A 26 12.397 6.166 -0.749 1.00 0.51 C ATOM 100 CG1 ILE A 26 12.649 5.920 -2.250 1.00 0.77 C ATOM 101 CG2 ILE A 26 11.436 5.100 -0.190 1.00 0.57 C ATOM 102 CD1 ILE A 26 12.981 4.446 -2.517 1.00 0.55 C ATOM 0 H ILE A 26 13.832 8.212 -0.564 1.00 0.33 H new ATOM 0 HA ILE A 26 11.081 7.732 -1.401 1.00 0.35 H new ATOM 0 HB ILE A 26 13.331 6.096 -0.191 1.00 0.51 H new ATOM 0 HG12 ILE A 26 11.767 6.207 -2.822 1.00 0.77 H new ATOM 0 HG13 ILE A 26 13.470 6.549 -2.593 1.00 0.77 H new ATOM 0 HG21 ILE A 26 11.879 4.112 -0.310 1.00 0.57 H new ATOM 0 HG22 ILE A 26 11.257 5.291 0.868 1.00 0.57 H new ATOM 0 HG23 ILE A 26 10.491 5.142 -0.732 1.00 0.57 H new ATOM 0 HD11 ILE A 26 13.154 4.299 -3.583 1.00 0.55 H new ATOM 0 HD12 ILE A 26 13.877 4.169 -1.962 1.00 0.55 H new ATOM 0 HD13 ILE A 26 12.148 3.821 -2.196 1.00 0.55 H new ATOM 114 N ASP A 27 11.690 8.292 1.733 1.00 0.15 N ATOM 115 CA ASP A 27 11.014 8.471 3.048 1.00 0.20 C ATOM 116 C ASP A 27 9.934 9.545 2.908 1.00 0.15 C ATOM 117 O ASP A 27 8.797 9.358 3.299 1.00 0.27 O ATOM 118 CB ASP A 27 12.043 8.918 4.087 1.00 0.42 C ATOM 119 CG ASP A 27 11.353 9.105 5.440 1.00 0.36 C ATOM 120 OD1 ASP A 27 10.413 8.377 5.708 1.00 0.96 O ATOM 121 OD2 ASP A 27 11.778 9.973 6.183 1.00 1.27 O ATOM 0 H ASP A 27 12.649 8.637 1.687 1.00 0.15 H new ATOM 0 HA ASP A 27 10.562 7.531 3.365 1.00 0.20 H new ATOM 0 HB2 ASP A 27 12.837 8.176 4.171 1.00 0.42 H new ATOM 0 HB3 ASP A 27 12.511 9.851 3.773 1.00 0.42 H new ATOM 126 N LYS A 28 10.283 10.667 2.343 1.00 0.14 N ATOM 127 CA LYS A 28 9.290 11.758 2.162 1.00 0.26 C ATOM 128 C LYS A 28 8.300 11.350 1.060 1.00 0.24 C ATOM 129 O LYS A 28 7.213 11.883 0.964 1.00 0.21 O ATOM 130 CB LYS A 28 10.042 13.043 1.775 1.00 0.39 C ATOM 131 CG LYS A 28 9.084 14.077 1.176 1.00 1.22 C ATOM 132 CD LYS A 28 9.134 13.978 -0.349 1.00 1.58 C ATOM 133 CE LYS A 28 9.435 15.356 -0.943 1.00 2.01 C ATOM 134 NZ LYS A 28 8.363 16.317 -0.550 1.00 1.75 N ATOM 0 H LYS A 28 11.220 10.875 1.997 1.00 0.14 H new ATOM 0 HA LYS A 28 8.733 11.936 3.082 1.00 0.26 H new ATOM 0 HB2 LYS A 28 10.532 13.461 2.654 1.00 0.39 H new ATOM 0 HB3 LYS A 28 10.826 12.808 1.055 1.00 0.39 H new ATOM 0 HG2 LYS A 28 8.069 13.900 1.532 1.00 1.22 H new ATOM 0 HG3 LYS A 28 9.364 15.080 1.497 1.00 1.22 H new ATOM 0 HD2 LYS A 28 9.900 13.265 -0.652 1.00 1.58 H new ATOM 0 HD3 LYS A 28 8.183 13.606 -0.731 1.00 1.58 H new ATOM 0 HE2 LYS A 28 10.403 15.712 -0.590 1.00 2.01 H new ATOM 0 HE3 LYS A 28 9.497 15.289 -2.029 1.00 2.01 H new ATOM 0 HZ1 LYS A 28 8.290 17.067 -1.266 1.00 1.75 H new ATOM 0 HZ2 LYS A 28 7.455 15.815 -0.481 1.00 1.75 H new ATOM 0 HZ3 LYS A 28 8.596 16.739 0.371 1.00 1.75 H new ATOM 148 N GLN A 29 8.665 10.408 0.232 1.00 0.28 N ATOM 149 CA GLN A 29 7.739 9.975 -0.849 1.00 0.31 C ATOM 150 C GLN A 29 6.608 9.141 -0.239 1.00 0.32 C ATOM 151 O GLN A 29 5.450 9.328 -0.561 1.00 0.35 O ATOM 152 CB GLN A 29 8.508 9.144 -1.880 1.00 0.33 C ATOM 153 CG GLN A 29 8.680 9.958 -3.163 1.00 0.25 C ATOM 154 CD GLN A 29 10.161 9.998 -3.551 1.00 1.50 C ATOM 155 OE1 GLN A 29 10.914 9.107 -3.211 1.00 2.93 O ATOM 156 NE2 GLN A 29 10.613 11.001 -4.253 1.00 1.51 N ATOM 0 H GLN A 29 9.562 9.922 0.259 1.00 0.28 H new ATOM 0 HA GLN A 29 7.315 10.848 -1.344 1.00 0.31 H new ATOM 0 HB2 GLN A 29 9.483 8.862 -1.482 1.00 0.33 H new ATOM 0 HB3 GLN A 29 7.971 8.220 -2.092 1.00 0.33 H new ATOM 0 HG2 GLN A 29 8.094 9.514 -3.968 1.00 0.25 H new ATOM 0 HG3 GLN A 29 8.305 10.971 -3.016 1.00 0.25 H new ATOM 0 HE21 GLN A 29 9.981 11.749 -4.539 1.00 1.51 H new ATOM 0 HE22 GLN A 29 11.598 11.037 -4.516 1.00 1.51 H new ATOM 165 N ILE A 30 6.921 8.235 0.656 1.00 0.33 N ATOM 166 CA ILE A 30 5.835 7.427 1.281 1.00 0.35 C ATOM 167 C ILE A 30 4.973 8.362 2.121 1.00 0.37 C ATOM 168 O ILE A 30 3.773 8.212 2.197 1.00 0.38 O ATOM 169 CB ILE A 30 6.410 6.337 2.190 1.00 0.35 C ATOM 170 CG1 ILE A 30 7.485 5.523 1.435 1.00 0.29 C ATOM 171 CG2 ILE A 30 5.273 5.430 2.663 1.00 0.40 C ATOM 172 CD1 ILE A 30 6.846 4.411 0.588 1.00 0.70 C ATOM 0 H ILE A 30 7.867 8.024 0.975 1.00 0.33 H new ATOM 0 HA ILE A 30 5.252 6.947 0.495 1.00 0.35 H new ATOM 0 HB ILE A 30 6.885 6.795 3.058 1.00 0.35 H new ATOM 0 HG12 ILE A 30 8.063 6.187 0.792 1.00 0.29 H new ATOM 0 HG13 ILE A 30 8.182 5.085 2.150 1.00 0.29 H new ATOM 0 HG21 ILE A 30 5.675 4.651 3.311 1.00 0.40 H new ATOM 0 HG22 ILE A 30 4.542 6.021 3.216 1.00 0.40 H new ATOM 0 HG23 ILE A 30 4.791 4.971 1.800 1.00 0.40 H new ATOM 0 HD11 ILE A 30 7.627 3.855 0.068 1.00 0.70 H new ATOM 0 HD12 ILE A 30 6.289 3.734 1.236 1.00 0.70 H new ATOM 0 HD13 ILE A 30 6.168 4.854 -0.142 1.00 0.70 H new ATOM 184 N ARG A 31 5.577 9.339 2.747 1.00 0.40 N ATOM 185 CA ARG A 31 4.788 10.297 3.572 1.00 0.44 C ATOM 186 C ARG A 31 3.687 10.900 2.698 1.00 0.45 C ATOM 187 O ARG A 31 2.606 11.212 3.157 1.00 0.51 O ATOM 188 CB ARG A 31 5.707 11.410 4.084 1.00 0.45 C ATOM 189 CG ARG A 31 5.340 11.761 5.529 1.00 1.08 C ATOM 190 CD ARG A 31 3.993 12.487 5.555 1.00 1.55 C ATOM 191 NE ARG A 31 4.177 13.865 6.094 1.00 0.88 N ATOM 192 CZ ARG A 31 4.753 14.044 7.251 1.00 1.29 C ATOM 193 NH1 ARG A 31 4.142 13.688 8.348 1.00 2.67 N ATOM 194 NH2 ARG A 31 5.940 14.583 7.312 1.00 1.36 N ATOM 0 H ARG A 31 6.582 9.513 2.722 1.00 0.40 H new ATOM 0 HA ARG A 31 4.346 9.781 4.425 1.00 0.44 H new ATOM 0 HB2 ARG A 31 6.747 11.089 4.031 1.00 0.45 H new ATOM 0 HB3 ARG A 31 5.613 12.292 3.451 1.00 0.45 H new ATOM 0 HG2 ARG A 31 5.288 10.854 6.132 1.00 1.08 H new ATOM 0 HG3 ARG A 31 6.113 12.392 5.968 1.00 1.08 H new ATOM 0 HD2 ARG A 31 3.573 12.532 4.550 1.00 1.55 H new ATOM 0 HD3 ARG A 31 3.283 11.936 6.172 1.00 1.55 H new ATOM 0 HE ARG A 31 3.852 14.669 5.557 1.00 0.88 H new ATOM 0 HH11 ARG A 31 3.213 13.269 8.301 1.00 2.67 H new ATOM 0 HH12 ARG A 31 4.593 13.828 9.252 1.00 2.67 H new ATOM 0 HH21 ARG A 31 6.417 14.864 6.455 1.00 1.36 H new ATOM 0 HH22 ARG A 31 6.391 14.723 8.216 1.00 1.36 H new ATOM 208 N TYR A 32 3.956 11.040 1.428 1.00 0.40 N ATOM 209 CA TYR A 32 2.937 11.595 0.503 1.00 0.43 C ATOM 210 C TYR A 32 1.892 10.516 0.248 1.00 0.42 C ATOM 211 O TYR A 32 0.713 10.784 0.127 1.00 0.45 O ATOM 212 CB TYR A 32 3.609 11.972 -0.818 1.00 0.41 C ATOM 213 CG TYR A 32 3.095 13.311 -1.285 1.00 0.49 C ATOM 214 CD1 TYR A 32 3.198 14.431 -0.453 1.00 1.62 C ATOM 215 CD2 TYR A 32 2.518 13.432 -2.554 1.00 1.05 C ATOM 216 CE1 TYR A 32 2.722 15.672 -0.888 1.00 1.75 C ATOM 217 CE2 TYR A 32 2.042 14.672 -2.991 1.00 0.96 C ATOM 218 CZ TYR A 32 2.143 15.794 -2.159 1.00 0.72 C ATOM 219 OH TYR A 32 1.671 17.018 -2.591 1.00 0.84 O ATOM 0 H TYR A 32 4.844 10.791 0.993 1.00 0.40 H new ATOM 0 HA TYR A 32 2.471 12.480 0.935 1.00 0.43 H new ATOM 0 HB2 TYR A 32 4.691 12.012 -0.689 1.00 0.41 H new ATOM 0 HB3 TYR A 32 3.406 11.211 -1.571 1.00 0.41 H new ATOM 0 HD1 TYR A 32 3.645 14.337 0.526 1.00 1.62 H new ATOM 0 HD2 TYR A 32 2.440 12.567 -3.196 1.00 1.05 H new ATOM 0 HE1 TYR A 32 2.800 16.536 -0.245 1.00 1.75 H new ATOM 0 HE2 TYR A 32 1.596 14.765 -3.970 1.00 0.96 H new ATOM 0 HH TYR A 32 1.302 16.926 -3.494 1.00 0.84 H new ATOM 229 N ILE A 33 2.328 9.289 0.168 1.00 0.39 N ATOM 230 CA ILE A 33 1.381 8.172 -0.074 1.00 0.38 C ATOM 231 C ILE A 33 0.315 8.157 1.019 1.00 0.43 C ATOM 232 O ILE A 33 -0.856 8.002 0.751 1.00 0.47 O ATOM 233 CB ILE A 33 2.143 6.847 -0.064 1.00 0.30 C ATOM 234 CG1 ILE A 33 3.201 6.862 -1.171 1.00 0.27 C ATOM 235 CG2 ILE A 33 1.166 5.697 -0.308 1.00 0.31 C ATOM 236 CD1 ILE A 33 4.051 5.592 -1.089 1.00 0.28 C ATOM 0 H ILE A 33 3.306 9.014 0.261 1.00 0.39 H new ATOM 0 HA ILE A 33 0.901 8.308 -1.043 1.00 0.38 H new ATOM 0 HB ILE A 33 2.629 6.712 0.902 1.00 0.30 H new ATOM 0 HG12 ILE A 33 2.719 6.927 -2.147 1.00 0.27 H new ATOM 0 HG13 ILE A 33 3.835 7.743 -1.070 1.00 0.27 H new ATOM 0 HG21 ILE A 33 1.708 4.751 -0.301 1.00 0.31 H new ATOM 0 HG22 ILE A 33 0.411 5.688 0.478 1.00 0.31 H new ATOM 0 HG23 ILE A 33 0.681 5.830 -1.275 1.00 0.31 H new ATOM 0 HD11 ILE A 33 4.803 5.606 -1.878 1.00 0.28 H new ATOM 0 HD12 ILE A 33 4.545 5.547 -0.118 1.00 0.28 H new ATOM 0 HD13 ILE A 33 3.412 4.718 -1.212 1.00 0.28 H new ATOM 248 N LEU A 34 0.715 8.318 2.249 1.00 0.45 N ATOM 249 CA LEU A 34 -0.268 8.313 3.367 1.00 0.52 C ATOM 250 C LEU A 34 -1.187 9.529 3.249 1.00 0.58 C ATOM 251 O LEU A 34 -2.395 9.417 3.336 1.00 0.58 O ATOM 252 CB LEU A 34 0.486 8.380 4.693 1.00 0.48 C ATOM 253 CG LEU A 34 0.936 6.977 5.103 1.00 0.68 C ATOM 254 CD1 LEU A 34 2.457 6.869 4.972 1.00 1.10 C ATOM 255 CD2 LEU A 34 0.531 6.715 6.557 1.00 0.70 C ATOM 0 H LEU A 34 1.686 8.454 2.529 1.00 0.45 H new ATOM 0 HA LEU A 34 -0.866 7.402 3.323 1.00 0.52 H new ATOM 0 HB2 LEU A 34 1.351 9.036 4.597 1.00 0.48 H new ATOM 0 HB3 LEU A 34 -0.154 8.807 5.465 1.00 0.48 H new ATOM 0 HG LEU A 34 0.462 6.241 4.454 1.00 0.68 H new ATOM 0 HD11 LEU A 34 2.777 5.869 5.264 1.00 1.10 H new ATOM 0 HD12 LEU A 34 2.747 7.055 3.938 1.00 1.10 H new ATOM 0 HD13 LEU A 34 2.931 7.606 5.620 1.00 1.10 H new ATOM 0 HD21 LEU A 34 0.852 5.715 6.849 1.00 0.70 H new ATOM 0 HD22 LEU A 34 1.005 7.452 7.205 1.00 0.70 H new ATOM 0 HD23 LEU A 34 -0.552 6.791 6.652 1.00 0.70 H new ATOM 267 N ASP A 35 -0.629 10.693 3.048 1.00 0.64 N ATOM 268 CA ASP A 35 -1.475 11.914 2.918 1.00 0.71 C ATOM 269 C ASP A 35 -2.515 11.673 1.827 1.00 0.62 C ATOM 270 O ASP A 35 -3.596 12.228 1.843 1.00 0.59 O ATOM 271 CB ASP A 35 -0.596 13.108 2.540 1.00 0.80 C ATOM 272 CG ASP A 35 0.165 13.593 3.774 1.00 1.64 C ATOM 273 OD1 ASP A 35 1.132 12.947 4.142 1.00 2.76 O ATOM 274 OD2 ASP A 35 -0.232 14.602 4.332 1.00 1.82 O ATOM 0 H ASP A 35 0.376 10.851 2.968 1.00 0.64 H new ATOM 0 HA ASP A 35 -1.973 12.126 3.864 1.00 0.71 H new ATOM 0 HB2 ASP A 35 0.106 12.823 1.756 1.00 0.80 H new ATOM 0 HB3 ASP A 35 -1.211 13.914 2.139 1.00 0.80 H new ATOM 279 N GLY A 36 -2.196 10.828 0.886 1.00 0.59 N ATOM 280 CA GLY A 36 -3.160 10.519 -0.200 1.00 0.52 C ATOM 281 C GLY A 36 -4.252 9.607 0.357 1.00 0.44 C ATOM 282 O GLY A 36 -5.422 9.816 0.129 1.00 0.37 O ATOM 0 H GLY A 36 -1.304 10.337 0.825 1.00 0.59 H new ATOM 0 HA2 GLY A 36 -3.598 11.438 -0.589 1.00 0.52 H new ATOM 0 HA3 GLY A 36 -2.649 10.033 -1.031 1.00 0.52 H new ATOM 286 N ILE A 37 -3.867 8.593 1.088 1.00 0.46 N ATOM 287 CA ILE A 37 -4.869 7.652 1.666 1.00 0.40 C ATOM 288 C ILE A 37 -5.894 8.412 2.503 1.00 0.40 C ATOM 289 O ILE A 37 -7.011 7.965 2.672 1.00 0.34 O ATOM 290 CB ILE A 37 -4.172 6.629 2.562 1.00 0.46 C ATOM 291 CG1 ILE A 37 -3.083 5.903 1.772 1.00 0.47 C ATOM 292 CG2 ILE A 37 -5.204 5.614 3.057 1.00 0.43 C ATOM 293 CD1 ILE A 37 -3.702 5.235 0.544 1.00 0.29 C ATOM 0 H ILE A 37 -2.895 8.376 1.310 1.00 0.46 H new ATOM 0 HA ILE A 37 -5.372 7.145 0.842 1.00 0.40 H new ATOM 0 HB ILE A 37 -3.717 7.139 3.411 1.00 0.46 H new ATOM 0 HG12 ILE A 37 -2.311 6.608 1.465 1.00 0.47 H new ATOM 0 HG13 ILE A 37 -2.600 5.155 2.401 1.00 0.47 H new ATOM 0 HG21 ILE A 37 -4.714 4.880 3.697 1.00 0.43 H new ATOM 0 HG22 ILE A 37 -5.979 6.130 3.623 1.00 0.43 H new ATOM 0 HG23 ILE A 37 -5.655 5.108 2.203 1.00 0.43 H new ATOM 0 HD11 ILE A 37 -2.925 4.718 -0.019 1.00 0.29 H new ATOM 0 HD12 ILE A 37 -4.458 4.518 0.862 1.00 0.29 H new ATOM 0 HD13 ILE A 37 -4.164 5.993 -0.088 1.00 0.29 H new ATOM 305 N SER A 38 -5.541 9.555 3.022 1.00 0.49 N ATOM 306 CA SER A 38 -6.523 10.317 3.830 1.00 0.50 C ATOM 307 C SER A 38 -7.623 10.757 2.883 1.00 0.36 C ATOM 308 O SER A 38 -8.796 10.677 3.182 1.00 0.29 O ATOM 309 CB SER A 38 -5.851 11.539 4.456 1.00 0.62 C ATOM 310 OG SER A 38 -6.646 12.010 5.537 1.00 1.28 O ATOM 0 H SER A 38 -4.623 9.988 2.921 1.00 0.49 H new ATOM 0 HA SER A 38 -6.924 9.705 4.638 1.00 0.50 H new ATOM 0 HB2 SER A 38 -4.853 11.279 4.810 1.00 0.62 H new ATOM 0 HB3 SER A 38 -5.730 12.324 3.710 1.00 0.62 H new ATOM 0 HG SER A 38 -6.217 12.793 5.942 1.00 1.28 H new ATOM 316 N ALA A 39 -7.242 11.193 1.719 1.00 0.36 N ATOM 317 CA ALA A 39 -8.248 11.612 0.725 1.00 0.27 C ATOM 318 C ALA A 39 -8.869 10.365 0.090 1.00 0.20 C ATOM 319 O ALA A 39 -9.908 10.428 -0.534 1.00 0.16 O ATOM 320 CB ALA A 39 -7.582 12.464 -0.356 1.00 0.38 C ATOM 0 H ALA A 39 -6.271 11.276 1.417 1.00 0.36 H new ATOM 0 HA ALA A 39 -9.024 12.202 1.213 1.00 0.27 H new ATOM 0 HB1 ALA A 39 -8.329 12.771 -1.088 1.00 0.38 H new ATOM 0 HB2 ALA A 39 -7.136 13.348 0.101 1.00 0.38 H new ATOM 0 HB3 ALA A 39 -6.806 11.881 -0.852 1.00 0.38 H new ATOM 326 N LEU A 40 -8.242 9.223 0.247 1.00 0.23 N ATOM 327 CA LEU A 40 -8.809 7.982 -0.347 1.00 0.18 C ATOM 328 C LEU A 40 -9.715 7.284 0.669 1.00 0.27 C ATOM 329 O LEU A 40 -10.453 6.380 0.331 1.00 0.44 O ATOM 330 CB LEU A 40 -7.684 7.025 -0.763 1.00 0.37 C ATOM 331 CG LEU A 40 -6.759 7.696 -1.791 1.00 0.50 C ATOM 332 CD1 LEU A 40 -5.802 6.657 -2.373 1.00 0.73 C ATOM 333 CD2 LEU A 40 -7.586 8.302 -2.925 1.00 0.33 C ATOM 0 H LEU A 40 -7.368 9.102 0.758 1.00 0.23 H new ATOM 0 HA LEU A 40 -9.390 8.256 -1.228 1.00 0.18 H new ATOM 0 HB2 LEU A 40 -7.108 6.728 0.114 1.00 0.37 H new ATOM 0 HB3 LEU A 40 -8.110 6.116 -1.187 1.00 0.37 H new ATOM 0 HG LEU A 40 -6.194 8.484 -1.294 1.00 0.50 H new ATOM 0 HD11 LEU A 40 -5.147 7.134 -3.102 1.00 0.73 H new ATOM 0 HD12 LEU A 40 -5.201 6.226 -1.572 1.00 0.73 H new ATOM 0 HD13 LEU A 40 -6.374 5.868 -2.861 1.00 0.73 H new ATOM 0 HD21 LEU A 40 -6.921 8.775 -3.648 1.00 0.33 H new ATOM 0 HD22 LEU A 40 -8.158 7.516 -3.418 1.00 0.33 H new ATOM 0 HD23 LEU A 40 -8.269 9.048 -2.519 1.00 0.33 H new ATOM 345 N ARG A 41 -9.671 7.688 1.909 1.00 0.31 N ATOM 346 CA ARG A 41 -10.534 7.036 2.928 1.00 0.51 C ATOM 347 C ARG A 41 -11.300 8.098 3.721 1.00 0.37 C ATOM 348 O ARG A 41 -11.956 7.798 4.699 1.00 0.43 O ATOM 349 CB ARG A 41 -9.666 6.219 3.883 1.00 0.76 C ATOM 350 CG ARG A 41 -10.565 5.304 4.711 1.00 0.99 C ATOM 351 CD ARG A 41 -9.710 4.251 5.419 1.00 1.33 C ATOM 352 NE ARG A 41 -8.988 4.882 6.558 1.00 0.47 N ATOM 353 CZ ARG A 41 -8.914 4.267 7.706 1.00 0.81 C ATOM 354 NH1 ARG A 41 -8.936 2.962 7.752 1.00 2.04 N ATOM 355 NH2 ARG A 41 -8.816 4.955 8.811 1.00 0.32 N ATOM 0 H ARG A 41 -9.076 8.439 2.258 1.00 0.31 H new ATOM 0 HA ARG A 41 -11.246 6.380 2.426 1.00 0.51 H new ATOM 0 HB2 ARG A 41 -8.942 5.628 3.322 1.00 0.76 H new ATOM 0 HB3 ARG A 41 -9.099 6.882 4.537 1.00 0.76 H new ATOM 0 HG2 ARG A 41 -11.121 5.889 5.444 1.00 0.99 H new ATOM 0 HG3 ARG A 41 -11.299 4.819 4.068 1.00 0.99 H new ATOM 0 HD2 ARG A 41 -10.340 3.438 5.780 1.00 1.33 H new ATOM 0 HD3 ARG A 41 -8.997 3.815 4.719 1.00 1.33 H new ATOM 0 HE ARG A 41 -8.551 5.796 6.441 1.00 0.47 H new ATOM 0 HH11 ARG A 41 -9.011 2.422 6.890 1.00 2.04 H new ATOM 0 HH12 ARG A 41 -8.878 2.482 8.650 1.00 2.04 H new ATOM 0 HH21 ARG A 41 -8.797 5.974 8.777 1.00 0.32 H new ATOM 0 HH22 ARG A 41 -8.758 4.473 9.708 1.00 0.32 H new ATOM 369 N LYS A 42 -11.236 9.335 3.307 1.00 0.25 N ATOM 370 CA LYS A 42 -11.972 10.397 4.037 1.00 0.29 C ATOM 371 C LYS A 42 -13.395 10.455 3.495 1.00 0.51 C ATOM 372 O LYS A 42 -14.348 10.558 4.232 1.00 0.65 O ATOM 373 CB LYS A 42 -11.274 11.744 3.813 1.00 0.32 C ATOM 374 CG LYS A 42 -12.116 12.878 4.406 1.00 0.73 C ATOM 375 CD LYS A 42 -11.338 14.191 4.316 1.00 1.11 C ATOM 376 CE LYS A 42 -11.752 15.109 5.467 1.00 1.06 C ATOM 377 NZ LYS A 42 -13.052 15.761 5.139 1.00 1.82 N ATOM 0 H LYS A 42 -10.706 9.652 2.495 1.00 0.25 H new ATOM 0 HA LYS A 42 -11.991 10.181 5.105 1.00 0.29 H new ATOM 0 HB2 LYS A 42 -10.287 11.733 4.276 1.00 0.32 H new ATOM 0 HB3 LYS A 42 -11.124 11.912 2.747 1.00 0.32 H new ATOM 0 HG2 LYS A 42 -13.060 12.964 3.868 1.00 0.73 H new ATOM 0 HG3 LYS A 42 -12.361 12.658 5.445 1.00 0.73 H new ATOM 0 HD2 LYS A 42 -10.267 13.995 4.360 1.00 1.11 H new ATOM 0 HD3 LYS A 42 -11.534 14.677 3.360 1.00 1.11 H new ATOM 0 HE2 LYS A 42 -11.843 14.535 6.389 1.00 1.06 H new ATOM 0 HE3 LYS A 42 -10.986 15.866 5.637 1.00 1.06 H new ATOM 0 HZ1 LYS A 42 -13.334 16.385 5.921 1.00 1.82 H new ATOM 0 HZ2 LYS A 42 -12.950 16.321 4.269 1.00 1.82 H new ATOM 0 HZ3 LYS A 42 -13.780 15.032 4.998 1.00 1.82 H new ATOM 391 N GLU A 43 -13.547 10.372 2.209 1.00 0.56 N ATOM 392 CA GLU A 43 -14.906 10.414 1.630 1.00 0.78 C ATOM 393 C GLU A 43 -15.498 9.012 1.687 1.00 0.89 C ATOM 394 O GLU A 43 -16.557 8.790 2.262 1.00 0.98 O ATOM 395 CB GLU A 43 -14.820 10.875 0.173 1.00 0.79 C ATOM 396 CG GLU A 43 -16.113 11.596 -0.214 1.00 0.84 C ATOM 397 CD GLU A 43 -16.095 11.912 -1.711 1.00 1.26 C ATOM 398 OE1 GLU A 43 -15.541 12.936 -2.073 1.00 2.29 O ATOM 399 OE2 GLU A 43 -16.636 11.123 -2.470 1.00 1.24 O ATOM 0 H GLU A 43 -12.787 10.277 1.535 1.00 0.56 H new ATOM 0 HA GLU A 43 -15.534 11.107 2.189 1.00 0.78 H new ATOM 0 HB2 GLU A 43 -13.967 11.541 0.041 1.00 0.79 H new ATOM 0 HB3 GLU A 43 -14.660 10.018 -0.481 1.00 0.79 H new ATOM 0 HG2 GLU A 43 -16.975 10.973 0.026 1.00 0.84 H new ATOM 0 HG3 GLU A 43 -16.214 12.516 0.361 1.00 0.84 H new ATOM 406 N THR A 44 -14.813 8.075 1.081 1.00 0.96 N ATOM 407 CA THR A 44 -15.296 6.670 1.044 1.00 1.12 C ATOM 408 C THR A 44 -14.931 5.917 2.334 1.00 0.97 C ATOM 409 O THR A 44 -14.349 4.862 2.290 1.00 0.94 O ATOM 410 CB THR A 44 -14.684 5.968 -0.187 1.00 1.35 C ATOM 411 OG1 THR A 44 -15.406 4.779 -0.464 1.00 1.79 O ATOM 412 CG2 THR A 44 -13.207 5.620 0.053 1.00 1.05 C ATOM 0 H THR A 44 -13.925 8.232 0.604 1.00 0.96 H new ATOM 0 HA THR A 44 -16.383 6.669 0.969 1.00 1.12 H new ATOM 0 HB THR A 44 -14.746 6.650 -1.035 1.00 1.35 H new ATOM 0 HG1 THR A 44 -15.383 4.192 0.321 1.00 1.79 H new ATOM 0 HG21 THR A 44 -12.801 5.126 -0.830 1.00 1.05 H new ATOM 0 HG22 THR A 44 -12.645 6.533 0.249 1.00 1.05 H new ATOM 0 HG23 THR A 44 -13.125 4.953 0.911 1.00 1.05 H new ATOM 420 N CYS A 45 -15.298 6.434 3.473 1.00 0.91 N ATOM 421 CA CYS A 45 -15.003 5.736 4.755 1.00 0.77 C ATOM 422 C CYS A 45 -15.387 6.663 5.902 1.00 0.57 C ATOM 423 O CYS A 45 -15.959 6.223 6.882 1.00 0.66 O ATOM 424 CB CYS A 45 -13.531 5.307 4.823 1.00 0.99 C ATOM 425 SG CYS A 45 -13.445 3.510 5.129 1.00 1.93 S ATOM 0 H CYS A 45 -15.795 7.319 3.571 1.00 0.91 H new ATOM 0 HA CYS A 45 -15.588 4.819 4.828 1.00 0.77 H new ATOM 0 HB2 CYS A 45 -13.024 5.554 3.890 1.00 0.99 H new ATOM 0 HB3 CYS A 45 -13.018 5.849 5.618 1.00 0.99 H new ATOM 0 HG CYS A 45 -12.367 3.028 4.584 1.00 1.93 H new ATOM 430 N ASN A 46 -15.171 7.951 5.775 1.00 0.67 N ATOM 431 CA ASN A 46 -15.644 8.850 6.857 1.00 1.07 C ATOM 432 C ASN A 46 -17.162 8.866 6.716 1.00 1.29 C ATOM 433 O ASN A 46 -17.892 8.758 7.681 1.00 1.62 O ATOM 434 CB ASN A 46 -15.082 10.262 6.705 1.00 1.27 C ATOM 435 CG ASN A 46 -15.154 10.982 8.053 1.00 1.42 C ATOM 436 OD1 ASN A 46 -15.825 10.530 8.960 1.00 1.00 O ATOM 437 ND2 ASN A 46 -14.486 12.090 8.225 1.00 2.18 N ATOM 0 H ASN A 46 -14.701 8.402 4.990 1.00 0.67 H new ATOM 0 HA ASN A 46 -15.316 8.500 7.836 1.00 1.07 H new ATOM 0 HB2 ASN A 46 -14.050 10.220 6.357 1.00 1.27 H new ATOM 0 HB3 ASN A 46 -15.649 10.813 5.955 1.00 1.27 H new ATOM 0 HD21 ASN A 46 -14.527 12.576 9.121 1.00 2.18 H new ATOM 0 HD22 ASN A 46 -13.923 12.469 7.464 1.00 2.18 H new ATOM 444 N LYS A 47 -17.639 8.930 5.490 1.00 1.14 N ATOM 445 CA LYS A 47 -19.107 8.870 5.260 1.00 1.45 C ATOM 446 C LYS A 47 -19.493 7.412 5.012 1.00 1.50 C ATOM 447 O LYS A 47 -20.547 7.115 4.485 1.00 1.65 O ATOM 448 CB LYS A 47 -19.478 9.729 4.047 1.00 1.38 C ATOM 449 CG LYS A 47 -20.854 10.363 4.268 1.00 1.26 C ATOM 450 CD LYS A 47 -20.683 11.823 4.695 1.00 2.46 C ATOM 451 CE LYS A 47 -21.383 12.737 3.686 1.00 2.51 C ATOM 452 NZ LYS A 47 -20.363 13.383 2.812 1.00 3.10 N ATOM 0 H LYS A 47 -17.071 9.021 4.648 1.00 1.14 H new ATOM 0 HA LYS A 47 -19.642 9.253 6.129 1.00 1.45 H new ATOM 0 HB2 LYS A 47 -18.729 10.506 3.896 1.00 1.38 H new ATOM 0 HB3 LYS A 47 -19.489 9.117 3.145 1.00 1.38 H new ATOM 0 HG2 LYS A 47 -21.443 10.308 3.352 1.00 1.26 H new ATOM 0 HG3 LYS A 47 -21.401 9.812 5.032 1.00 1.26 H new ATOM 0 HD2 LYS A 47 -21.103 11.973 5.690 1.00 2.46 H new ATOM 0 HD3 LYS A 47 -19.624 12.074 4.755 1.00 2.46 H new ATOM 0 HE2 LYS A 47 -22.083 12.161 3.081 1.00 2.51 H new ATOM 0 HE3 LYS A 47 -21.964 13.497 4.209 1.00 2.51 H new ATOM 0 HZ1 LYS A 47 -20.837 14.004 2.126 1.00 3.10 H new ATOM 0 HZ2 LYS A 47 -19.712 13.945 3.396 1.00 3.10 H new ATOM 0 HZ3 LYS A 47 -19.828 12.651 2.303 1.00 3.10 H new ATOM 466 N SER A 48 -18.637 6.497 5.392 1.00 1.45 N ATOM 467 CA SER A 48 -18.927 5.062 5.187 1.00 1.63 C ATOM 468 C SER A 48 -18.263 4.255 6.302 1.00 1.98 C ATOM 469 O SER A 48 -17.108 3.901 6.205 1.00 2.66 O ATOM 470 CB SER A 48 -18.351 4.616 3.849 1.00 1.40 C ATOM 471 OG SER A 48 -18.653 5.578 2.843 1.00 2.75 O ATOM 0 H SER A 48 -17.742 6.694 5.840 1.00 1.45 H new ATOM 0 HA SER A 48 -20.005 4.902 5.198 1.00 1.63 H new ATOM 0 HB2 SER A 48 -17.271 4.491 3.932 1.00 1.40 H new ATOM 0 HB3 SER A 48 -18.763 3.646 3.572 1.00 1.40 H new ATOM 0 HG SER A 48 -18.278 5.284 1.987 1.00 2.75 H new ATOM 477 N ASN A 49 -18.986 3.966 7.357 1.00 2.00 N ATOM 478 CA ASN A 49 -18.411 3.179 8.506 1.00 2.81 C ATOM 479 C ASN A 49 -17.466 2.070 8.011 1.00 2.44 C ATOM 480 O ASN A 49 -16.517 1.711 8.679 1.00 3.57 O ATOM 481 CB ASN A 49 -19.549 2.554 9.310 1.00 3.81 C ATOM 482 CG ASN A 49 -19.894 3.471 10.482 1.00 4.80 C ATOM 483 OD1 ASN A 49 -19.980 3.029 11.611 1.00 5.46 O ATOM 484 ND2 ASN A 49 -20.098 4.741 10.261 1.00 5.16 N ATOM 0 H ASN A 49 -19.960 4.242 7.477 1.00 2.00 H new ATOM 0 HA ASN A 49 -17.836 3.861 9.132 1.00 2.81 H new ATOM 0 HB2 ASN A 49 -20.423 2.410 8.675 1.00 3.81 H new ATOM 0 HB3 ASN A 49 -19.255 1.570 9.676 1.00 3.81 H new ATOM 0 HD21 ASN A 49 -20.330 5.363 11.036 1.00 5.16 H new ATOM 0 HD22 ASN A 49 -20.026 5.112 9.314 1.00 5.16 H new ATOM 491 N MET A 50 -17.699 1.553 6.836 1.00 1.00 N ATOM 492 CA MET A 50 -16.797 0.501 6.287 1.00 0.99 C ATOM 493 C MET A 50 -15.910 1.155 5.233 1.00 1.90 C ATOM 494 O MET A 50 -14.710 0.980 5.218 1.00 2.05 O ATOM 495 CB MET A 50 -17.626 -0.606 5.619 1.00 0.35 C ATOM 496 CG MET A 50 -17.577 -1.879 6.468 1.00 1.17 C ATOM 497 SD MET A 50 -17.193 -3.303 5.413 1.00 1.55 S ATOM 498 CE MET A 50 -18.572 -3.133 4.248 1.00 0.59 C ATOM 0 H MET A 50 -18.477 1.814 6.231 1.00 1.00 H new ATOM 0 HA MET A 50 -16.201 0.063 7.088 1.00 0.99 H new ATOM 0 HB2 MET A 50 -18.658 -0.277 5.500 1.00 0.35 H new ATOM 0 HB3 MET A 50 -17.239 -0.809 4.620 1.00 0.35 H new ATOM 0 HG2 MET A 50 -16.823 -1.778 7.248 1.00 1.17 H new ATOM 0 HG3 MET A 50 -18.534 -2.032 6.967 1.00 1.17 H new ATOM 0 HE1 MET A 50 -18.669 -4.048 3.664 1.00 0.59 H new ATOM 0 HE2 MET A 50 -19.495 -2.955 4.800 1.00 0.59 H new ATOM 0 HE3 MET A 50 -18.382 -2.294 3.579 1.00 0.59 H new ATOM 660 N ASN A 62 -11.746 -8.900 5.850 1.00 1.50 N ATOM 661 CA ASN A 62 -10.279 -9.084 6.058 1.00 1.45 C ATOM 662 C ASN A 62 -9.623 -9.486 4.735 1.00 1.27 C ATOM 663 O ASN A 62 -9.536 -10.650 4.396 1.00 1.45 O ATOM 664 CB ASN A 62 -10.022 -10.168 7.114 1.00 1.79 C ATOM 665 CG ASN A 62 -10.804 -9.846 8.392 1.00 2.26 C ATOM 666 OD1 ASN A 62 -10.349 -10.264 9.542 1.00 2.77 O flip ATOM 667 ND2 ASN A 62 -11.836 -9.207 8.345 1.00 2.30 N flip ATOM 0 HA ASN A 62 -9.850 -8.145 6.409 1.00 1.45 H new ATOM 0 HB2 ASN A 62 -10.323 -11.142 6.729 1.00 1.79 H new ATOM 0 HB3 ASN A 62 -8.956 -10.228 7.335 1.00 1.79 H new ATOM 0 HD21 ASN A 62 -12.193 -8.880 7.447 1.00 2.30 H new ATOM 0 HD22 ASN A 62 -12.346 -8.998 9.203 1.00 2.30 H new ATOM 674 N LEU A 63 -9.162 -8.521 3.990 1.00 1.15 N ATOM 675 CA LEU A 63 -8.508 -8.812 2.682 1.00 1.03 C ATOM 676 C LEU A 63 -7.366 -9.809 2.876 1.00 1.08 C ATOM 677 O LEU A 63 -7.162 -10.332 3.953 1.00 1.20 O ATOM 678 CB LEU A 63 -7.948 -7.512 2.108 1.00 1.08 C ATOM 679 CG LEU A 63 -8.932 -6.941 1.091 1.00 0.71 C ATOM 680 CD1 LEU A 63 -8.490 -5.531 0.695 1.00 0.78 C ATOM 681 CD2 LEU A 63 -8.952 -7.831 -0.150 1.00 0.26 C ATOM 0 H LEU A 63 -9.211 -7.532 4.234 1.00 1.15 H new ATOM 0 HA LEU A 63 -9.242 -9.240 1.999 1.00 1.03 H new ATOM 0 HB2 LEU A 63 -7.777 -6.792 2.908 1.00 1.08 H new ATOM 0 HB3 LEU A 63 -6.984 -7.697 1.634 1.00 1.08 H new ATOM 0 HG LEU A 63 -9.929 -6.903 1.530 1.00 0.71 H new ATOM 0 HD11 LEU A 63 -9.191 -5.121 -0.032 1.00 0.78 H new ATOM 0 HD12 LEU A 63 -8.470 -4.894 1.579 1.00 0.78 H new ATOM 0 HD13 LEU A 63 -7.494 -5.572 0.255 1.00 0.78 H new ATOM 0 HD21 LEU A 63 -9.654 -7.425 -0.878 1.00 0.26 H new ATOM 0 HD22 LEU A 63 -7.955 -7.866 -0.589 1.00 0.26 H new ATOM 0 HD23 LEU A 63 -9.261 -8.838 0.130 1.00 0.26 H new ATOM 693 N ASN A 64 -6.620 -10.076 1.837 1.00 1.01 N ATOM 694 CA ASN A 64 -5.495 -11.040 1.964 1.00 1.09 C ATOM 695 C ASN A 64 -4.219 -10.421 1.389 1.00 0.98 C ATOM 696 O ASN A 64 -3.648 -10.927 0.445 1.00 1.03 O ATOM 697 CB ASN A 64 -5.834 -12.321 1.197 1.00 1.26 C ATOM 698 CG ASN A 64 -6.228 -11.973 -0.240 1.00 1.52 C ATOM 699 OD1 ASN A 64 -6.042 -10.855 -0.680 1.00 2.60 O ATOM 700 ND2 ASN A 64 -6.770 -12.889 -0.997 1.00 1.65 N ATOM 0 H ASN A 64 -6.742 -9.668 0.910 1.00 1.01 H new ATOM 0 HA ASN A 64 -5.337 -11.276 3.016 1.00 1.09 H new ATOM 0 HB2 ASN A 64 -4.976 -12.994 1.196 1.00 1.26 H new ATOM 0 HB3 ASN A 64 -6.651 -12.847 1.691 1.00 1.26 H new ATOM 0 HD21 ASN A 64 -7.037 -12.666 -1.956 1.00 1.65 H new ATOM 0 HD22 ASN A 64 -6.927 -13.827 -0.629 1.00 1.65 H new ATOM 707 N LEU A 65 -3.763 -9.332 1.952 1.00 1.00 N ATOM 708 CA LEU A 65 -2.519 -8.700 1.427 1.00 0.93 C ATOM 709 C LEU A 65 -1.521 -8.419 2.569 1.00 0.90 C ATOM 710 O LEU A 65 -1.043 -7.309 2.692 1.00 0.81 O ATOM 711 CB LEU A 65 -2.873 -7.388 0.721 1.00 0.70 C ATOM 712 CG LEU A 65 -3.426 -6.378 1.725 1.00 0.47 C ATOM 713 CD1 LEU A 65 -2.713 -5.037 1.535 1.00 0.32 C ATOM 714 CD2 LEU A 65 -4.925 -6.191 1.484 1.00 0.38 C ATOM 0 H LEU A 65 -4.194 -8.858 2.745 1.00 1.00 H new ATOM 0 HA LEU A 65 -2.051 -9.387 0.722 1.00 0.93 H new ATOM 0 HB2 LEU A 65 -1.988 -6.979 0.234 1.00 0.70 H new ATOM 0 HB3 LEU A 65 -3.610 -7.575 -0.060 1.00 0.70 H new ATOM 0 HG LEU A 65 -3.262 -6.742 2.739 1.00 0.47 H new ATOM 0 HD11 LEU A 65 -3.104 -4.313 2.249 1.00 0.32 H new ATOM 0 HD12 LEU A 65 -1.643 -5.167 1.699 1.00 0.32 H new ATOM 0 HD13 LEU A 65 -2.883 -4.675 0.521 1.00 0.32 H new ATOM 0 HD21 LEU A 65 -5.321 -5.471 2.200 1.00 0.38 H new ATOM 0 HD22 LEU A 65 -5.088 -5.823 0.471 1.00 0.38 H new ATOM 0 HD23 LEU A 65 -5.436 -7.146 1.610 1.00 0.38 H new ATOM 726 N PRO A 66 -1.213 -9.428 3.366 1.00 1.45 N ATOM 727 CA PRO A 66 -0.254 -9.277 4.479 1.00 1.47 C ATOM 728 C PRO A 66 1.180 -9.288 3.940 1.00 0.97 C ATOM 729 O PRO A 66 1.426 -9.683 2.819 1.00 1.22 O ATOM 730 CB PRO A 66 -0.506 -10.510 5.349 1.00 2.44 C ATOM 731 CG PRO A 66 -1.156 -11.566 4.425 1.00 2.89 C ATOM 732 CD PRO A 66 -1.778 -10.795 3.247 1.00 2.27 C ATOM 0 HA PRO A 66 -0.378 -8.343 5.027 1.00 1.47 H new ATOM 0 HB2 PRO A 66 0.426 -10.884 5.772 1.00 2.44 H new ATOM 0 HB3 PRO A 66 -1.162 -10.269 6.185 1.00 2.44 H new ATOM 0 HG2 PRO A 66 -0.413 -12.281 4.071 1.00 2.89 H new ATOM 0 HG3 PRO A 66 -1.916 -12.135 4.961 1.00 2.89 H new ATOM 0 HD2 PRO A 66 -1.519 -11.251 2.292 1.00 2.27 H new ATOM 0 HD3 PRO A 66 -2.866 -10.783 3.309 1.00 2.27 H new ATOM 740 N LYS A 67 2.133 -8.861 4.729 1.00 0.87 N ATOM 741 CA LYS A 67 3.549 -8.856 4.253 1.00 1.22 C ATOM 742 C LYS A 67 4.425 -8.103 5.260 1.00 0.89 C ATOM 743 O LYS A 67 5.125 -7.170 4.920 1.00 0.90 O ATOM 744 CB LYS A 67 3.634 -8.174 2.883 1.00 1.62 C ATOM 745 CG LYS A 67 4.129 -9.182 1.844 1.00 2.55 C ATOM 746 CD LYS A 67 5.555 -9.613 2.191 1.00 3.50 C ATOM 747 CE LYS A 67 5.910 -10.879 1.409 1.00 4.32 C ATOM 748 NZ LYS A 67 7.388 -11.061 1.404 1.00 5.79 N ATOM 0 H LYS A 67 1.992 -8.517 5.679 1.00 0.87 H new ATOM 0 HA LYS A 67 3.902 -9.883 4.163 1.00 1.22 H new ATOM 0 HB2 LYS A 67 2.656 -7.789 2.595 1.00 1.62 H new ATOM 0 HB3 LYS A 67 4.311 -7.321 2.930 1.00 1.62 H new ATOM 0 HG2 LYS A 67 3.471 -10.050 1.822 1.00 2.55 H new ATOM 0 HG3 LYS A 67 4.104 -8.737 0.849 1.00 2.55 H new ATOM 0 HD2 LYS A 67 6.257 -8.815 1.949 1.00 3.50 H new ATOM 0 HD3 LYS A 67 5.640 -9.798 3.262 1.00 3.50 H new ATOM 0 HE2 LYS A 67 5.428 -11.746 1.861 1.00 4.32 H new ATOM 0 HE3 LYS A 67 5.539 -10.804 0.387 1.00 4.32 H new ATOM 0 HZ1 LYS A 67 7.630 -11.922 0.873 1.00 5.79 H new ATOM 0 HZ2 LYS A 67 7.838 -10.238 0.954 1.00 5.79 H new ATOM 0 HZ3 LYS A 67 7.730 -11.151 2.382 1.00 5.79 H new ATOM 762 N MET A 68 4.392 -8.504 6.497 1.00 1.34 N ATOM 763 CA MET A 68 5.222 -7.817 7.526 1.00 1.01 C ATOM 764 C MET A 68 5.011 -8.493 8.882 1.00 1.16 C ATOM 765 O MET A 68 4.138 -9.322 9.044 1.00 1.64 O ATOM 766 CB MET A 68 4.808 -6.347 7.618 1.00 0.73 C ATOM 767 CG MET A 68 6.048 -5.457 7.500 1.00 0.66 C ATOM 768 SD MET A 68 5.746 -3.891 8.357 1.00 1.05 S ATOM 769 CE MET A 68 7.028 -2.921 7.527 1.00 0.50 C ATOM 0 H MET A 68 3.826 -9.279 6.843 1.00 1.34 H new ATOM 0 HA MET A 68 6.274 -7.880 7.247 1.00 1.01 H new ATOM 0 HB2 MET A 68 4.099 -6.108 6.825 1.00 0.73 H new ATOM 0 HB3 MET A 68 4.302 -6.160 8.565 1.00 0.73 H new ATOM 0 HG2 MET A 68 6.913 -5.960 7.932 1.00 0.66 H new ATOM 0 HG3 MET A 68 6.278 -5.272 6.451 1.00 0.66 H new ATOM 0 HE1 MET A 68 7.490 -2.241 8.243 1.00 0.50 H new ATOM 0 HE2 MET A 68 7.786 -3.591 7.121 1.00 0.50 H new ATOM 0 HE3 MET A 68 6.581 -2.345 6.716 1.00 0.50 H new ATOM 779 N ALA A 69 5.804 -8.145 9.857 1.00 0.79 N ATOM 780 CA ALA A 69 5.647 -8.771 11.199 1.00 0.92 C ATOM 781 C ALA A 69 6.466 -7.986 12.224 1.00 0.53 C ATOM 782 O ALA A 69 7.132 -7.024 11.894 1.00 0.71 O ATOM 783 CB ALA A 69 6.141 -10.218 11.149 1.00 1.67 C ATOM 0 H ALA A 69 6.552 -7.456 9.783 1.00 0.79 H new ATOM 0 HA ALA A 69 4.596 -8.758 11.486 1.00 0.92 H new ATOM 0 HB1 ALA A 69 6.026 -10.676 12.131 1.00 1.67 H new ATOM 0 HB2 ALA A 69 5.557 -10.777 10.418 1.00 1.67 H new ATOM 0 HB3 ALA A 69 7.192 -10.234 10.862 1.00 1.67 H new ATOM 789 N GLU A 70 6.422 -8.385 13.464 1.00 0.68 N ATOM 790 CA GLU A 70 7.199 -7.657 14.506 1.00 1.09 C ATOM 791 C GLU A 70 8.612 -8.236 14.584 1.00 1.63 C ATOM 792 O GLU A 70 9.589 -7.513 14.612 1.00 1.81 O ATOM 793 CB GLU A 70 6.504 -7.816 15.860 1.00 1.40 C ATOM 794 CG GLU A 70 7.145 -6.872 16.879 1.00 2.60 C ATOM 795 CD GLU A 70 6.090 -6.421 17.890 1.00 2.96 C ATOM 796 OE1 GLU A 70 5.417 -7.279 18.437 1.00 2.58 O ATOM 797 OE2 GLU A 70 5.973 -5.225 18.100 1.00 3.79 O ATOM 0 H GLU A 70 5.883 -9.182 13.801 1.00 0.68 H new ATOM 0 HA GLU A 70 7.255 -6.599 14.249 1.00 1.09 H new ATOM 0 HB2 GLU A 70 5.441 -7.595 15.763 1.00 1.40 H new ATOM 0 HB3 GLU A 70 6.585 -8.847 16.203 1.00 1.40 H new ATOM 0 HG2 GLU A 70 7.964 -7.376 17.392 1.00 2.60 H new ATOM 0 HG3 GLU A 70 7.571 -6.007 16.371 1.00 2.60 H new ATOM 804 N LYS A 71 8.731 -9.535 14.621 1.00 2.11 N ATOM 805 CA LYS A 71 10.083 -10.158 14.697 1.00 2.73 C ATOM 806 C LYS A 71 10.720 -10.189 13.304 1.00 2.32 C ATOM 807 O LYS A 71 11.919 -10.325 13.165 1.00 2.47 O ATOM 808 CB LYS A 71 9.955 -11.586 15.231 1.00 3.63 C ATOM 809 CG LYS A 71 11.206 -11.942 16.038 1.00 4.97 C ATOM 810 CD LYS A 71 10.858 -13.010 17.079 1.00 5.94 C ATOM 811 CE LYS A 71 10.522 -14.325 16.370 1.00 5.55 C ATOM 812 NZ LYS A 71 11.588 -15.329 16.650 1.00 6.68 N ATOM 0 H LYS A 71 7.951 -10.192 14.602 1.00 2.11 H new ATOM 0 HA LYS A 71 10.712 -9.572 15.366 1.00 2.73 H new ATOM 0 HB2 LYS A 71 9.068 -11.673 15.858 1.00 3.63 H new ATOM 0 HB3 LYS A 71 9.831 -12.285 14.404 1.00 3.63 H new ATOM 0 HG2 LYS A 71 11.988 -12.309 15.373 1.00 4.97 H new ATOM 0 HG3 LYS A 71 11.598 -11.053 16.531 1.00 4.97 H new ATOM 0 HD2 LYS A 71 11.696 -13.156 17.760 1.00 5.94 H new ATOM 0 HD3 LYS A 71 10.011 -12.683 17.682 1.00 5.94 H new ATOM 0 HE2 LYS A 71 9.557 -14.699 16.713 1.00 5.55 H new ATOM 0 HE3 LYS A 71 10.437 -14.160 15.296 1.00 5.55 H new ATOM 0 HZ1 LYS A 71 11.359 -16.222 16.168 1.00 6.68 H new ATOM 0 HZ2 LYS A 71 12.501 -14.972 16.302 1.00 6.68 H new ATOM 0 HZ3 LYS A 71 11.649 -15.494 17.675 1.00 6.68 H new ATOM 826 N ASP A 72 9.930 -10.065 12.271 1.00 1.94 N ATOM 827 CA ASP A 72 10.499 -10.090 10.893 1.00 1.88 C ATOM 828 C ASP A 72 9.774 -9.062 10.023 1.00 1.26 C ATOM 829 O ASP A 72 8.978 -9.403 9.172 1.00 2.69 O ATOM 830 CB ASP A 72 10.324 -11.486 10.292 1.00 3.45 C ATOM 831 CG ASP A 72 10.748 -12.540 11.316 1.00 5.21 C ATOM 832 OD1 ASP A 72 11.841 -12.420 11.843 1.00 5.56 O ATOM 833 OD2 ASP A 72 9.971 -13.450 11.557 1.00 6.44 O ATOM 0 H ASP A 72 8.918 -9.948 12.322 1.00 1.94 H new ATOM 0 HA ASP A 72 11.560 -9.845 10.934 1.00 1.88 H new ATOM 0 HB2 ASP A 72 9.284 -11.642 10.004 1.00 3.45 H new ATOM 0 HB3 ASP A 72 10.924 -11.581 9.387 1.00 3.45 H new ATOM 838 N GLY A 73 10.048 -7.805 10.231 1.00 0.75 N ATOM 839 CA GLY A 73 9.383 -6.749 9.421 1.00 2.59 C ATOM 840 C GLY A 73 10.125 -5.425 9.607 1.00 1.84 C ATOM 841 O GLY A 73 10.766 -4.932 8.702 1.00 2.54 O ATOM 0 H GLY A 73 10.707 -7.463 10.930 1.00 0.75 H new ATOM 0 HA2 GLY A 73 9.378 -7.031 8.368 1.00 2.59 H new ATOM 0 HA3 GLY A 73 8.342 -6.642 9.727 1.00 2.59 H new ATOM 845 N CYS A 74 10.044 -4.853 10.779 1.00 0.62 N ATOM 846 CA CYS A 74 10.743 -3.560 11.044 1.00 0.27 C ATOM 847 C CYS A 74 10.339 -3.038 12.422 1.00 0.27 C ATOM 848 O CYS A 74 9.459 -2.208 12.549 1.00 0.34 O ATOM 849 CB CYS A 74 10.356 -2.532 9.982 1.00 1.04 C ATOM 850 SG CYS A 74 11.855 -1.710 9.390 1.00 2.38 S ATOM 0 H CYS A 74 9.520 -5.228 11.570 1.00 0.62 H new ATOM 0 HA CYS A 74 11.820 -3.723 11.012 1.00 0.27 H new ATOM 0 HB2 CYS A 74 9.842 -3.020 9.154 1.00 1.04 H new ATOM 0 HB3 CYS A 74 9.665 -1.800 10.400 1.00 1.04 H new ATOM 855 N PHE A 75 10.972 -3.516 13.459 1.00 0.49 N ATOM 856 CA PHE A 75 10.621 -3.047 14.828 1.00 0.47 C ATOM 857 C PHE A 75 11.793 -3.305 15.774 1.00 0.54 C ATOM 858 O PHE A 75 12.635 -4.143 15.520 1.00 0.70 O ATOM 859 CB PHE A 75 9.392 -3.806 15.331 1.00 0.36 C ATOM 860 CG PHE A 75 8.163 -3.311 14.610 1.00 0.46 C ATOM 861 CD1 PHE A 75 7.584 -2.090 14.971 1.00 1.32 C ATOM 862 CD2 PHE A 75 7.596 -4.078 13.586 1.00 0.27 C ATOM 863 CE1 PHE A 75 6.438 -1.635 14.309 1.00 1.53 C ATOM 864 CE2 PHE A 75 6.451 -3.623 12.922 1.00 0.14 C ATOM 865 CZ PHE A 75 5.872 -2.401 13.284 1.00 0.87 C ATOM 0 H PHE A 75 11.717 -4.211 13.416 1.00 0.49 H new ATOM 0 HA PHE A 75 10.404 -1.979 14.797 1.00 0.47 H new ATOM 0 HB2 PHE A 75 9.519 -4.876 15.163 1.00 0.36 H new ATOM 0 HB3 PHE A 75 9.278 -3.663 16.406 1.00 0.36 H new ATOM 0 HD1 PHE A 75 8.022 -1.498 15.761 1.00 1.32 H new ATOM 0 HD2 PHE A 75 8.042 -5.021 13.308 1.00 0.27 H new ATOM 0 HE1 PHE A 75 5.991 -0.693 14.589 1.00 1.53 H new ATOM 0 HE2 PHE A 75 6.014 -4.214 12.131 1.00 0.14 H new ATOM 0 HZ PHE A 75 4.988 -2.049 12.772 1.00 0.87 H new ATOM 875 N GLN A 76 11.855 -2.593 16.867 1.00 0.77 N ATOM 876 CA GLN A 76 12.974 -2.797 17.831 1.00 0.82 C ATOM 877 C GLN A 76 13.092 -4.283 18.183 1.00 0.66 C ATOM 878 O GLN A 76 14.160 -4.772 18.493 1.00 0.70 O ATOM 879 CB GLN A 76 12.703 -1.993 19.104 1.00 1.02 C ATOM 880 CG GLN A 76 14.022 -1.442 19.650 1.00 1.32 C ATOM 881 CD GLN A 76 14.207 -1.903 21.096 1.00 1.82 C ATOM 882 OE1 GLN A 76 15.012 -2.771 21.371 1.00 2.87 O ATOM 883 NE2 GLN A 76 13.491 -1.356 22.039 1.00 1.95 N ATOM 0 H GLN A 76 11.178 -1.878 17.134 1.00 0.77 H new ATOM 0 HA GLN A 76 13.905 -2.460 17.376 1.00 0.82 H new ATOM 0 HB2 GLN A 76 12.015 -1.175 18.891 1.00 1.02 H new ATOM 0 HB3 GLN A 76 12.224 -2.625 19.851 1.00 1.02 H new ATOM 0 HG2 GLN A 76 14.854 -1.788 19.037 1.00 1.32 H new ATOM 0 HG3 GLN A 76 14.022 -0.353 19.601 1.00 1.32 H new ATOM 0 HE21 GLN A 76 12.815 -0.627 21.809 1.00 1.95 H new ATOM 0 HE22 GLN A 76 13.607 -1.657 23.007 1.00 1.95 H new ATOM 892 N SER A 77 12.006 -5.004 18.132 1.00 0.52 N ATOM 893 CA SER A 77 12.064 -6.458 18.457 1.00 0.50 C ATOM 894 C SER A 77 12.368 -7.247 17.183 1.00 0.75 C ATOM 895 O SER A 77 11.715 -8.224 16.874 1.00 1.32 O ATOM 896 CB SER A 77 10.720 -6.910 19.030 1.00 0.90 C ATOM 897 OG SER A 77 10.527 -6.311 20.304 1.00 1.80 O ATOM 0 H SER A 77 11.083 -4.651 17.880 1.00 0.52 H new ATOM 0 HA SER A 77 12.847 -6.636 19.194 1.00 0.50 H new ATOM 0 HB2 SER A 77 9.911 -6.628 18.356 1.00 0.90 H new ATOM 0 HB3 SER A 77 10.696 -7.996 19.119 1.00 0.90 H new ATOM 0 HG SER A 77 9.666 -6.597 20.673 1.00 1.80 H new ATOM 903 N GLY A 78 13.356 -6.829 16.438 1.00 0.75 N ATOM 904 CA GLY A 78 13.702 -7.550 15.181 1.00 1.18 C ATOM 905 C GLY A 78 13.806 -6.545 14.032 1.00 1.12 C ATOM 906 O GLY A 78 13.325 -6.783 12.941 1.00 1.44 O ATOM 0 H GLY A 78 13.939 -6.018 16.647 1.00 0.75 H new ATOM 0 HA2 GLY A 78 14.646 -8.081 15.301 1.00 1.18 H new ATOM 0 HA3 GLY A 78 12.942 -8.298 14.957 1.00 1.18 H new ATOM 910 N PHE A 79 14.426 -5.422 14.271 1.00 0.72 N ATOM 911 CA PHE A 79 14.558 -4.397 13.198 1.00 0.66 C ATOM 912 C PHE A 79 15.733 -4.754 12.286 1.00 0.57 C ATOM 913 O PHE A 79 16.707 -5.344 12.711 1.00 0.50 O ATOM 914 CB PHE A 79 14.806 -3.027 13.831 1.00 0.65 C ATOM 915 CG PHE A 79 14.928 -1.983 12.746 1.00 0.52 C ATOM 916 CD1 PHE A 79 13.787 -1.315 12.287 1.00 1.06 C ATOM 917 CD2 PHE A 79 16.182 -1.683 12.201 1.00 0.24 C ATOM 918 CE1 PHE A 79 13.902 -0.347 11.285 1.00 1.03 C ATOM 919 CE2 PHE A 79 16.295 -0.715 11.197 1.00 0.30 C ATOM 920 CZ PHE A 79 15.155 -0.046 10.739 1.00 0.49 C ATOM 0 H PHE A 79 14.848 -5.170 15.165 1.00 0.72 H new ATOM 0 HA PHE A 79 13.640 -4.369 12.611 1.00 0.66 H new ATOM 0 HB2 PHE A 79 13.987 -2.773 14.504 1.00 0.65 H new ATOM 0 HB3 PHE A 79 15.716 -3.051 14.430 1.00 0.65 H new ATOM 0 HD1 PHE A 79 12.819 -1.547 12.706 1.00 1.06 H new ATOM 0 HD2 PHE A 79 17.062 -2.199 12.555 1.00 0.24 H new ATOM 0 HE1 PHE A 79 13.022 0.170 10.931 1.00 1.03 H new ATOM 0 HE2 PHE A 79 17.262 -0.484 10.776 1.00 0.30 H new ATOM 0 HZ PHE A 79 15.242 0.702 9.965 1.00 0.49 H new ATOM 930 N ASN A 80 15.650 -4.395 11.035 1.00 0.98 N ATOM 931 CA ASN A 80 16.761 -4.705 10.093 1.00 1.01 C ATOM 932 C ASN A 80 16.855 -3.600 9.040 1.00 1.05 C ATOM 933 O ASN A 80 16.018 -2.721 8.973 1.00 1.72 O ATOM 934 CB ASN A 80 16.489 -6.046 9.412 1.00 0.87 C ATOM 935 CG ASN A 80 16.842 -7.183 10.373 1.00 0.90 C ATOM 936 OD1 ASN A 80 16.095 -7.475 11.287 1.00 1.86 O ATOM 937 ND2 ASN A 80 17.956 -7.840 10.207 1.00 1.29 N ATOM 0 H ASN A 80 14.859 -3.899 10.624 1.00 0.98 H new ATOM 0 HA ASN A 80 17.702 -4.763 10.640 1.00 1.01 H new ATOM 0 HB2 ASN A 80 15.441 -6.113 9.121 1.00 0.87 H new ATOM 0 HB3 ASN A 80 17.079 -6.130 8.499 1.00 0.87 H new ATOM 0 HD21 ASN A 80 18.200 -8.598 10.844 1.00 1.29 H new ATOM 0 HD22 ASN A 80 18.583 -7.595 9.440 1.00 1.29 H new ATOM 944 N GLU A 81 17.870 -3.630 8.220 1.00 1.02 N ATOM 945 CA GLU A 81 18.017 -2.575 7.178 1.00 0.99 C ATOM 946 C GLU A 81 17.700 -3.159 5.801 1.00 0.90 C ATOM 947 O GLU A 81 16.803 -2.711 5.118 1.00 0.94 O ATOM 948 CB GLU A 81 19.455 -2.057 7.184 1.00 1.05 C ATOM 949 CG GLU A 81 19.830 -1.607 8.596 1.00 0.94 C ATOM 950 CD GLU A 81 21.096 -2.341 9.044 1.00 0.94 C ATOM 951 OE1 GLU A 81 21.173 -3.538 8.819 1.00 1.89 O ATOM 952 OE2 GLU A 81 21.967 -1.695 9.603 1.00 1.24 O ATOM 0 H GLU A 81 18.603 -4.339 8.227 1.00 1.02 H new ATOM 0 HA GLU A 81 17.327 -1.759 7.393 1.00 0.99 H new ATOM 0 HB2 GLU A 81 20.136 -2.839 6.847 1.00 1.05 H new ATOM 0 HB3 GLU A 81 19.556 -1.225 6.487 1.00 1.05 H new ATOM 0 HG2 GLU A 81 19.995 -0.530 8.614 1.00 0.94 H new ATOM 0 HG3 GLU A 81 19.012 -1.816 9.285 1.00 0.94 H new ATOM 959 N GLU A 82 18.438 -4.150 5.385 1.00 0.79 N ATOM 960 CA GLU A 82 18.188 -4.759 4.047 1.00 0.70 C ATOM 961 C GLU A 82 16.912 -5.608 4.095 1.00 0.67 C ATOM 962 O GLU A 82 16.275 -5.839 3.088 1.00 0.60 O ATOM 963 CB GLU A 82 19.381 -5.643 3.667 1.00 0.64 C ATOM 964 CG GLU A 82 19.175 -6.220 2.263 1.00 0.42 C ATOM 965 CD GLU A 82 19.671 -7.668 2.223 1.00 0.39 C ATOM 966 OE1 GLU A 82 19.646 -8.311 3.259 1.00 0.67 O ATOM 967 OE2 GLU A 82 20.066 -8.108 1.157 1.00 0.81 O ATOM 0 H GLU A 82 19.205 -4.566 5.914 1.00 0.79 H new ATOM 0 HA GLU A 82 18.064 -3.971 3.304 1.00 0.70 H new ATOM 0 HB2 GLU A 82 20.302 -5.060 3.699 1.00 0.64 H new ATOM 0 HB3 GLU A 82 19.491 -6.452 4.390 1.00 0.64 H new ATOM 0 HG2 GLU A 82 18.120 -6.179 1.994 1.00 0.42 H new ATOM 0 HG3 GLU A 82 19.714 -5.620 1.530 1.00 0.42 H new ATOM 974 N THR A 83 16.526 -6.071 5.255 1.00 0.73 N ATOM 975 CA THR A 83 15.288 -6.898 5.346 1.00 0.72 C ATOM 976 C THR A 83 14.076 -5.970 5.379 1.00 0.77 C ATOM 977 O THR A 83 13.035 -6.270 4.827 1.00 0.76 O ATOM 978 CB THR A 83 15.321 -7.743 6.623 1.00 0.79 C ATOM 979 OG1 THR A 83 16.427 -8.633 6.572 1.00 0.62 O ATOM 980 CG2 THR A 83 14.023 -8.546 6.743 1.00 0.88 C ATOM 0 H THR A 83 17.011 -5.913 6.138 1.00 0.73 H new ATOM 0 HA THR A 83 15.225 -7.561 4.483 1.00 0.72 H new ATOM 0 HB THR A 83 15.420 -7.088 7.488 1.00 0.79 H new ATOM 0 HG1 THR A 83 16.450 -9.173 7.389 1.00 0.62 H new ATOM 0 HG21 THR A 83 14.049 -9.146 7.652 1.00 0.88 H new ATOM 0 HG22 THR A 83 13.175 -7.863 6.784 1.00 0.88 H new ATOM 0 HG23 THR A 83 13.920 -9.202 5.878 1.00 0.88 H new ATOM 988 N CYS A 84 14.208 -4.842 6.014 1.00 0.85 N ATOM 989 CA CYS A 84 13.071 -3.888 6.077 1.00 0.91 C ATOM 990 C CYS A 84 12.836 -3.312 4.683 1.00 0.77 C ATOM 991 O CYS A 84 11.763 -3.410 4.118 1.00 0.65 O ATOM 992 CB CYS A 84 13.423 -2.745 7.033 1.00 1.08 C ATOM 993 SG CYS A 84 13.025 -3.219 8.730 1.00 1.76 S ATOM 0 H CYS A 84 15.056 -4.539 6.493 1.00 0.85 H new ATOM 0 HA CYS A 84 12.176 -4.400 6.429 1.00 0.91 H new ATOM 0 HB2 CYS A 84 14.483 -2.505 6.952 1.00 1.08 H new ATOM 0 HB3 CYS A 84 12.871 -1.846 6.758 1.00 1.08 H new ATOM 998 N LEU A 85 13.848 -2.712 4.133 1.00 0.80 N ATOM 999 CA LEU A 85 13.739 -2.113 2.779 1.00 0.71 C ATOM 1000 C LEU A 85 13.234 -3.162 1.789 1.00 0.63 C ATOM 1001 O LEU A 85 12.392 -2.887 0.954 1.00 0.55 O ATOM 1002 CB LEU A 85 15.129 -1.640 2.355 1.00 0.69 C ATOM 1003 CG LEU A 85 15.021 -0.545 1.298 1.00 0.76 C ATOM 1004 CD1 LEU A 85 14.197 0.626 1.842 1.00 0.63 C ATOM 1005 CD2 LEU A 85 16.428 -0.062 0.956 1.00 0.89 C ATOM 0 H LEU A 85 14.763 -2.609 4.572 1.00 0.80 H new ATOM 0 HA LEU A 85 13.040 -1.277 2.793 1.00 0.71 H new ATOM 0 HB2 LEU A 85 15.672 -1.264 3.222 1.00 0.69 H new ATOM 0 HB3 LEU A 85 15.701 -2.480 1.960 1.00 0.69 H new ATOM 0 HG LEU A 85 14.530 -0.938 0.408 1.00 0.76 H new ATOM 0 HD11 LEU A 85 14.124 1.404 1.082 1.00 0.63 H new ATOM 0 HD12 LEU A 85 13.197 0.278 2.102 1.00 0.63 H new ATOM 0 HD13 LEU A 85 14.682 1.031 2.730 1.00 0.63 H new ATOM 0 HD21 LEU A 85 16.370 0.722 0.201 1.00 0.89 H new ATOM 0 HD22 LEU A 85 16.905 0.333 1.853 1.00 0.89 H new ATOM 0 HD23 LEU A 85 17.015 -0.895 0.570 1.00 0.89 H new ATOM 1017 N VAL A 86 13.740 -4.361 1.867 1.00 0.67 N ATOM 1018 CA VAL A 86 13.282 -5.418 0.925 1.00 0.61 C ATOM 1019 C VAL A 86 11.767 -5.577 1.051 1.00 0.62 C ATOM 1020 O VAL A 86 11.056 -5.509 0.079 1.00 0.64 O ATOM 1021 CB VAL A 86 14.002 -6.743 1.248 1.00 0.63 C ATOM 1022 CG1 VAL A 86 13.284 -7.927 0.589 1.00 0.58 C ATOM 1023 CG2 VAL A 86 15.430 -6.676 0.705 1.00 0.57 C ATOM 0 H VAL A 86 14.448 -4.653 2.540 1.00 0.67 H new ATOM 0 HA VAL A 86 13.522 -5.138 -0.101 1.00 0.61 H new ATOM 0 HB VAL A 86 14.003 -6.885 2.329 1.00 0.63 H new ATOM 0 HG11 VAL A 86 13.809 -8.851 0.830 1.00 0.58 H new ATOM 0 HG12 VAL A 86 12.261 -7.984 0.960 1.00 0.58 H new ATOM 0 HG13 VAL A 86 13.271 -7.789 -0.492 1.00 0.58 H new ATOM 0 HG21 VAL A 86 15.948 -7.609 0.928 1.00 0.57 H new ATOM 0 HG22 VAL A 86 15.402 -6.526 -0.374 1.00 0.57 H new ATOM 0 HG23 VAL A 86 15.959 -5.846 1.173 1.00 0.57 H new ATOM 1033 N LYS A 87 11.263 -5.788 2.233 1.00 0.62 N ATOM 1034 CA LYS A 87 9.789 -5.950 2.387 1.00 0.64 C ATOM 1035 C LYS A 87 9.067 -4.743 1.774 1.00 0.57 C ATOM 1036 O LYS A 87 7.929 -4.838 1.361 1.00 0.53 O ATOM 1037 CB LYS A 87 9.442 -6.054 3.873 1.00 0.75 C ATOM 1038 CG LYS A 87 9.990 -7.368 4.435 1.00 1.49 C ATOM 1039 CD LYS A 87 8.901 -8.441 4.381 1.00 1.15 C ATOM 1040 CE LYS A 87 9.373 -9.686 5.134 1.00 1.41 C ATOM 1041 NZ LYS A 87 8.419 -9.994 6.237 1.00 2.41 N ATOM 0 H LYS A 87 11.803 -5.855 3.096 1.00 0.62 H new ATOM 0 HA LYS A 87 9.470 -6.857 1.873 1.00 0.64 H new ATOM 0 HB2 LYS A 87 9.866 -5.209 4.416 1.00 0.75 H new ATOM 0 HB3 LYS A 87 8.361 -6.011 4.009 1.00 0.75 H new ATOM 0 HG2 LYS A 87 10.859 -7.688 3.859 1.00 1.49 H new ATOM 0 HG3 LYS A 87 10.324 -7.225 5.463 1.00 1.49 H new ATOM 0 HD2 LYS A 87 7.980 -8.062 4.824 1.00 1.15 H new ATOM 0 HD3 LYS A 87 8.675 -8.693 3.345 1.00 1.15 H new ATOM 0 HE2 LYS A 87 9.441 -10.533 4.451 1.00 1.41 H new ATOM 0 HE3 LYS A 87 10.372 -9.522 5.538 1.00 1.41 H new ATOM 0 HZ1 LYS A 87 8.226 -11.016 6.254 1.00 2.41 H new ATOM 0 HZ2 LYS A 87 8.834 -9.704 7.146 1.00 2.41 H new ATOM 0 HZ3 LYS A 87 7.530 -9.477 6.082 1.00 2.41 H new ATOM 1055 N ILE A 88 9.715 -3.608 1.713 1.00 0.59 N ATOM 1056 CA ILE A 88 9.052 -2.403 1.126 1.00 0.55 C ATOM 1057 C ILE A 88 8.910 -2.576 -0.388 1.00 0.35 C ATOM 1058 O ILE A 88 7.898 -2.235 -0.961 1.00 0.14 O ATOM 1059 CB ILE A 88 9.895 -1.156 1.412 1.00 0.71 C ATOM 1060 CG1 ILE A 88 10.027 -0.961 2.927 1.00 0.89 C ATOM 1061 CG2 ILE A 88 9.226 0.074 0.789 1.00 0.63 C ATOM 1062 CD1 ILE A 88 8.656 -0.665 3.535 1.00 0.54 C ATOM 0 H ILE A 88 10.669 -3.463 2.042 1.00 0.59 H new ATOM 0 HA ILE A 88 8.065 -2.288 1.575 1.00 0.55 H new ATOM 0 HB ILE A 88 10.886 -1.284 0.977 1.00 0.71 H new ATOM 0 HG12 ILE A 88 10.451 -1.856 3.382 1.00 0.89 H new ATOM 0 HG13 ILE A 88 10.713 -0.141 3.138 1.00 0.89 H new ATOM 0 HG21 ILE A 88 9.828 0.959 0.994 1.00 0.63 H new ATOM 0 HG22 ILE A 88 9.141 -0.065 -0.289 1.00 0.63 H new ATOM 0 HG23 ILE A 88 8.232 0.204 1.218 1.00 0.63 H new ATOM 0 HD11 ILE A 88 8.757 -0.528 4.612 1.00 0.54 H new ATOM 0 HD12 ILE A 88 8.249 0.243 3.090 1.00 0.54 H new ATOM 0 HD13 ILE A 88 7.983 -1.499 3.338 1.00 0.54 H new ATOM 1074 N ILE A 89 9.906 -3.111 -1.037 1.00 0.41 N ATOM 1075 CA ILE A 89 9.807 -3.319 -2.509 1.00 0.24 C ATOM 1076 C ILE A 89 8.783 -4.421 -2.739 1.00 0.14 C ATOM 1077 O ILE A 89 7.803 -4.267 -3.443 1.00 0.21 O ATOM 1078 CB ILE A 89 11.164 -3.782 -3.036 1.00 0.34 C ATOM 1079 CG1 ILE A 89 12.245 -2.790 -2.602 1.00 0.43 C ATOM 1080 CG2 ILE A 89 11.132 -3.858 -4.564 1.00 0.40 C ATOM 1081 CD1 ILE A 89 13.589 -3.513 -2.514 1.00 0.71 C ATOM 0 H ILE A 89 10.783 -3.413 -0.613 1.00 0.41 H new ATOM 0 HA ILE A 89 9.515 -2.400 -3.018 1.00 0.24 H new ATOM 0 HB ILE A 89 11.386 -4.769 -2.631 1.00 0.34 H new ATOM 0 HG12 ILE A 89 12.307 -1.968 -3.315 1.00 0.43 H new ATOM 0 HG13 ILE A 89 11.989 -2.355 -1.636 1.00 0.43 H new ATOM 0 HG21 ILE A 89 12.103 -4.189 -4.932 1.00 0.40 H new ATOM 0 HG22 ILE A 89 10.365 -4.566 -4.877 1.00 0.40 H new ATOM 0 HG23 ILE A 89 10.905 -2.873 -4.973 1.00 0.40 H new ATOM 0 HD11 ILE A 89 14.361 -2.809 -2.205 1.00 0.71 H new ATOM 0 HD12 ILE A 89 13.521 -4.320 -1.785 1.00 0.71 H new ATOM 0 HD13 ILE A 89 13.844 -3.926 -3.490 1.00 0.71 H new ATOM 1093 N THR A 90 9.024 -5.524 -2.108 1.00 0.42 N ATOM 1094 CA THR A 90 8.116 -6.693 -2.197 1.00 0.71 C ATOM 1095 C THR A 90 6.720 -6.292 -1.704 1.00 0.64 C ATOM 1096 O THR A 90 5.742 -6.963 -1.970 1.00 0.92 O ATOM 1097 CB THR A 90 8.655 -7.812 -1.289 1.00 1.09 C ATOM 1098 OG1 THR A 90 9.955 -7.487 -0.816 1.00 2.40 O ATOM 1099 CG2 THR A 90 8.722 -9.119 -2.062 1.00 0.71 C ATOM 0 H THR A 90 9.840 -5.671 -1.514 1.00 0.42 H new ATOM 0 HA THR A 90 8.060 -7.036 -3.230 1.00 0.71 H new ATOM 0 HB THR A 90 7.980 -7.919 -0.440 1.00 1.09 H new ATOM 0 HG1 THR A 90 9.891 -6.775 -0.145 1.00 2.40 H new ATOM 0 HG21 THR A 90 9.105 -9.907 -1.413 1.00 0.71 H new ATOM 0 HG22 THR A 90 7.724 -9.388 -2.409 1.00 0.71 H new ATOM 0 HG23 THR A 90 9.385 -9.001 -2.919 1.00 0.71 H new ATOM 1107 N GLY A 91 6.626 -5.217 -0.967 1.00 0.43 N ATOM 1108 CA GLY A 91 5.303 -4.790 -0.434 1.00 0.36 C ATOM 1109 C GLY A 91 4.660 -3.751 -1.356 1.00 0.24 C ATOM 1110 O GLY A 91 3.459 -3.561 -1.347 1.00 0.30 O ATOM 0 H GLY A 91 7.410 -4.617 -0.712 1.00 0.43 H new ATOM 0 HA2 GLY A 91 4.647 -5.655 -0.339 1.00 0.36 H new ATOM 0 HA3 GLY A 91 5.425 -4.371 0.565 1.00 0.36 H new ATOM 1114 N LEU A 92 5.442 -3.064 -2.138 1.00 0.12 N ATOM 1115 CA LEU A 92 4.860 -2.024 -3.029 1.00 0.09 C ATOM 1116 C LEU A 92 4.375 -2.649 -4.342 1.00 0.14 C ATOM 1117 O LEU A 92 3.516 -2.107 -5.005 1.00 0.17 O ATOM 1118 CB LEU A 92 5.917 -0.961 -3.332 1.00 0.15 C ATOM 1119 CG LEU A 92 5.946 0.070 -2.202 1.00 0.22 C ATOM 1120 CD1 LEU A 92 7.264 0.846 -2.250 1.00 0.29 C ATOM 1121 CD2 LEU A 92 4.778 1.043 -2.377 1.00 0.34 C ATOM 0 H LEU A 92 6.454 -3.176 -2.199 1.00 0.12 H new ATOM 0 HA LEU A 92 4.010 -1.567 -2.523 1.00 0.09 H new ATOM 0 HB2 LEU A 92 6.897 -1.427 -3.438 1.00 0.15 H new ATOM 0 HB3 LEU A 92 5.693 -0.471 -4.280 1.00 0.15 H new ATOM 0 HG LEU A 92 5.860 -0.439 -1.242 1.00 0.22 H new ATOM 0 HD11 LEU A 92 7.284 1.580 -1.445 1.00 0.29 H new ATOM 0 HD12 LEU A 92 8.098 0.154 -2.131 1.00 0.29 H new ATOM 0 HD13 LEU A 92 7.351 1.357 -3.209 1.00 0.29 H new ATOM 0 HD21 LEU A 92 4.795 1.780 -1.574 1.00 0.34 H new ATOM 0 HD22 LEU A 92 4.868 1.551 -3.337 1.00 0.34 H new ATOM 0 HD23 LEU A 92 3.838 0.492 -2.345 1.00 0.34 H new ATOM 1133 N LEU A 93 4.909 -3.778 -4.728 1.00 0.18 N ATOM 1134 CA LEU A 93 4.450 -4.413 -6.001 1.00 0.26 C ATOM 1135 C LEU A 93 3.027 -4.943 -5.792 1.00 0.28 C ATOM 1136 O LEU A 93 2.103 -4.617 -6.526 1.00 0.32 O ATOM 1137 CB LEU A 93 5.389 -5.564 -6.373 1.00 0.28 C ATOM 1138 CG LEU A 93 6.819 -5.033 -6.480 1.00 0.35 C ATOM 1139 CD1 LEU A 93 7.792 -6.063 -5.904 1.00 0.55 C ATOM 1140 CD2 LEU A 93 7.159 -4.778 -7.950 1.00 0.46 C ATOM 0 H LEU A 93 5.636 -4.285 -4.223 1.00 0.18 H new ATOM 0 HA LEU A 93 4.459 -3.683 -6.810 1.00 0.26 H new ATOM 0 HB2 LEU A 93 5.336 -6.350 -5.620 1.00 0.28 H new ATOM 0 HB3 LEU A 93 5.082 -6.008 -7.320 1.00 0.28 H new ATOM 0 HG LEU A 93 6.903 -4.102 -5.920 1.00 0.35 H new ATOM 0 HD11 LEU A 93 8.811 -5.684 -5.981 1.00 0.55 H new ATOM 0 HD12 LEU A 93 7.551 -6.246 -4.857 1.00 0.55 H new ATOM 0 HD13 LEU A 93 7.709 -6.995 -6.463 1.00 0.55 H new ATOM 0 HD21 LEU A 93 8.178 -4.399 -8.027 1.00 0.46 H new ATOM 0 HD22 LEU A 93 7.074 -5.709 -8.510 1.00 0.46 H new ATOM 0 HD23 LEU A 93 6.467 -4.043 -8.361 1.00 0.46 H new ATOM 1152 N GLU A 94 2.836 -5.736 -4.773 1.00 0.28 N ATOM 1153 CA GLU A 94 1.474 -6.255 -4.492 1.00 0.32 C ATOM 1154 C GLU A 94 0.583 -5.052 -4.196 1.00 0.31 C ATOM 1155 O GLU A 94 -0.554 -4.971 -4.627 1.00 0.35 O ATOM 1156 CB GLU A 94 1.520 -7.183 -3.275 1.00 0.33 C ATOM 1157 CG GLU A 94 1.234 -8.620 -3.715 1.00 0.60 C ATOM 1158 CD GLU A 94 0.191 -9.241 -2.784 1.00 0.98 C ATOM 1159 OE1 GLU A 94 0.296 -9.030 -1.588 1.00 1.51 O ATOM 1160 OE2 GLU A 94 -0.694 -9.915 -3.285 1.00 1.48 O ATOM 0 H GLU A 94 3.563 -6.044 -4.127 1.00 0.28 H new ATOM 0 HA GLU A 94 1.088 -6.820 -5.341 1.00 0.32 H new ATOM 0 HB2 GLU A 94 2.498 -7.126 -2.798 1.00 0.33 H new ATOM 0 HB3 GLU A 94 0.786 -6.865 -2.535 1.00 0.33 H new ATOM 0 HG2 GLU A 94 0.872 -8.632 -4.743 1.00 0.60 H new ATOM 0 HG3 GLU A 94 2.152 -9.208 -3.694 1.00 0.60 H new ATOM 1167 N PHE A 95 1.111 -4.096 -3.480 1.00 0.26 N ATOM 1168 CA PHE A 95 0.324 -2.879 -3.173 1.00 0.25 C ATOM 1169 C PHE A 95 -0.046 -2.196 -4.479 1.00 0.26 C ATOM 1170 O PHE A 95 -1.049 -1.535 -4.576 1.00 0.26 O ATOM 1171 CB PHE A 95 1.171 -1.933 -2.328 1.00 0.26 C ATOM 1172 CG PHE A 95 1.004 -2.278 -0.873 1.00 0.35 C ATOM 1173 CD1 PHE A 95 0.944 -3.619 -0.472 1.00 1.08 C ATOM 1174 CD2 PHE A 95 0.904 -1.261 0.076 1.00 0.50 C ATOM 1175 CE1 PHE A 95 0.785 -3.941 0.873 1.00 1.19 C ATOM 1176 CE2 PHE A 95 0.745 -1.579 1.425 1.00 0.44 C ATOM 1177 CZ PHE A 95 0.685 -2.920 1.829 1.00 0.57 C ATOM 0 H PHE A 95 2.056 -4.110 -3.096 1.00 0.26 H new ATOM 0 HA PHE A 95 -0.579 -3.145 -2.624 1.00 0.25 H new ATOM 0 HB2 PHE A 95 2.220 -2.012 -2.614 1.00 0.26 H new ATOM 0 HB3 PHE A 95 0.870 -0.901 -2.505 1.00 0.26 H new ATOM 0 HD1 PHE A 95 1.021 -4.405 -1.208 1.00 1.08 H new ATOM 0 HD2 PHE A 95 0.950 -0.227 -0.233 1.00 0.50 H new ATOM 0 HE1 PHE A 95 0.739 -4.976 1.180 1.00 1.19 H new ATOM 0 HE2 PHE A 95 0.668 -0.791 2.159 1.00 0.44 H new ATOM 0 HZ PHE A 95 0.562 -3.166 2.873 1.00 0.57 H new ATOM 1187 N GLU A 96 0.767 -2.361 -5.481 1.00 0.27 N ATOM 1188 CA GLU A 96 0.478 -1.728 -6.793 1.00 0.28 C ATOM 1189 C GLU A 96 -0.818 -2.298 -7.356 1.00 0.29 C ATOM 1190 O GLU A 96 -1.666 -1.566 -7.814 1.00 0.31 O ATOM 1191 CB GLU A 96 1.623 -2.015 -7.756 1.00 0.30 C ATOM 1192 CG GLU A 96 2.197 -0.697 -8.269 1.00 0.46 C ATOM 1193 CD GLU A 96 2.663 -0.866 -9.717 1.00 1.10 C ATOM 1194 OE1 GLU A 96 2.134 -1.735 -10.392 1.00 1.14 O ATOM 1195 OE2 GLU A 96 3.538 -0.122 -10.127 1.00 1.99 O ATOM 0 H GLU A 96 1.625 -2.911 -5.447 1.00 0.27 H new ATOM 0 HA GLU A 96 0.374 -0.651 -6.664 1.00 0.28 H new ATOM 0 HB2 GLU A 96 2.400 -2.591 -7.253 1.00 0.30 H new ATOM 0 HB3 GLU A 96 1.268 -2.619 -8.591 1.00 0.30 H new ATOM 0 HG2 GLU A 96 1.442 0.087 -8.209 1.00 0.46 H new ATOM 0 HG3 GLU A 96 3.032 -0.384 -7.642 1.00 0.46 H new ATOM 1202 N VAL A 97 -0.986 -3.595 -7.330 1.00 0.28 N ATOM 1203 CA VAL A 97 -2.259 -4.170 -7.871 1.00 0.29 C ATOM 1204 C VAL A 97 -3.439 -3.626 -7.049 1.00 0.31 C ATOM 1205 O VAL A 97 -4.503 -3.350 -7.576 1.00 0.34 O ATOM 1206 CB VAL A 97 -2.223 -5.713 -7.831 1.00 0.29 C ATOM 1207 CG1 VAL A 97 -2.152 -6.232 -6.390 1.00 0.37 C ATOM 1208 CG2 VAL A 97 -3.483 -6.270 -8.498 1.00 0.46 C ATOM 0 H VAL A 97 -0.314 -4.271 -6.966 1.00 0.28 H new ATOM 0 HA VAL A 97 -2.379 -3.874 -8.913 1.00 0.29 H new ATOM 0 HB VAL A 97 -1.331 -6.044 -8.364 1.00 0.29 H new ATOM 0 HG11 VAL A 97 -2.128 -7.322 -6.397 1.00 0.37 H new ATOM 0 HG12 VAL A 97 -1.250 -5.852 -5.910 1.00 0.37 H new ATOM 0 HG13 VAL A 97 -3.028 -5.892 -5.837 1.00 0.37 H new ATOM 0 HG21 VAL A 97 -3.458 -7.359 -8.470 1.00 0.46 H new ATOM 0 HG22 VAL A 97 -4.365 -5.913 -7.965 1.00 0.46 H new ATOM 0 HG23 VAL A 97 -3.525 -5.934 -9.534 1.00 0.46 H new ATOM 1218 N TYR A 98 -3.258 -3.431 -5.765 1.00 0.28 N ATOM 1219 CA TYR A 98 -4.370 -2.873 -4.942 1.00 0.28 C ATOM 1220 C TYR A 98 -4.527 -1.394 -5.293 1.00 0.28 C ATOM 1221 O TYR A 98 -5.594 -0.820 -5.178 1.00 0.25 O ATOM 1222 CB TYR A 98 -4.048 -3.030 -3.452 1.00 0.29 C ATOM 1223 CG TYR A 98 -3.671 -4.467 -3.167 1.00 0.42 C ATOM 1224 CD1 TYR A 98 -4.391 -5.514 -3.758 1.00 1.05 C ATOM 1225 CD2 TYR A 98 -2.599 -4.751 -2.317 1.00 0.82 C ATOM 1226 CE1 TYR A 98 -4.033 -6.842 -3.500 1.00 1.35 C ATOM 1227 CE2 TYR A 98 -2.241 -6.077 -2.058 1.00 0.93 C ATOM 1228 CZ TYR A 98 -2.957 -7.124 -2.650 1.00 1.04 C ATOM 1229 OH TYR A 98 -2.603 -8.433 -2.393 1.00 1.37 O ATOM 0 H TYR A 98 -2.396 -3.633 -5.258 1.00 0.28 H new ATOM 0 HA TYR A 98 -5.297 -3.407 -5.150 1.00 0.28 H new ATOM 0 HB2 TYR A 98 -3.230 -2.366 -3.174 1.00 0.29 H new ATOM 0 HB3 TYR A 98 -4.910 -2.743 -2.850 1.00 0.29 H new ATOM 0 HD1 TYR A 98 -5.222 -5.296 -4.412 1.00 1.05 H new ATOM 0 HD2 TYR A 98 -2.046 -3.944 -1.859 1.00 0.82 H new ATOM 0 HE1 TYR A 98 -4.587 -7.649 -3.957 1.00 1.35 H new ATOM 0 HE2 TYR A 98 -1.412 -6.294 -1.401 1.00 0.93 H new ATOM 0 HH TYR A 98 -2.079 -8.784 -3.144 1.00 1.37 H new ATOM 1239 N LEU A 99 -3.475 -0.789 -5.772 1.00 0.30 N ATOM 1240 CA LEU A 99 -3.550 0.630 -6.188 1.00 0.30 C ATOM 1241 C LEU A 99 -4.305 0.665 -7.507 1.00 0.29 C ATOM 1242 O LEU A 99 -4.980 1.619 -7.829 1.00 0.27 O ATOM 1243 CB LEU A 99 -2.141 1.187 -6.364 1.00 0.37 C ATOM 1244 CG LEU A 99 -1.481 1.280 -4.992 1.00 0.45 C ATOM 1245 CD1 LEU A 99 0.040 1.260 -5.138 1.00 0.69 C ATOM 1246 CD2 LEU A 99 -1.911 2.578 -4.322 1.00 0.43 C ATOM 0 H LEU A 99 -2.561 -1.225 -5.892 1.00 0.30 H new ATOM 0 HA LEU A 99 -4.059 1.238 -5.440 1.00 0.30 H new ATOM 0 HB2 LEU A 99 -1.558 0.542 -7.021 1.00 0.37 H new ATOM 0 HB3 LEU A 99 -2.178 2.170 -6.833 1.00 0.37 H new ATOM 0 HG LEU A 99 -1.788 0.428 -4.385 1.00 0.45 H new ATOM 0 HD11 LEU A 99 0.501 1.327 -4.153 1.00 0.69 H new ATOM 0 HD12 LEU A 99 0.347 0.332 -5.620 1.00 0.69 H new ATOM 0 HD13 LEU A 99 0.358 2.107 -5.746 1.00 0.69 H new ATOM 0 HD21 LEU A 99 -1.444 2.653 -3.340 1.00 0.43 H new ATOM 0 HD22 LEU A 99 -1.603 3.424 -4.936 1.00 0.43 H new ATOM 0 HD23 LEU A 99 -2.995 2.588 -4.209 1.00 0.43 H new ATOM 1258 N GLU A 100 -4.240 -0.417 -8.238 1.00 0.32 N ATOM 1259 CA GLU A 100 -4.997 -0.519 -9.498 1.00 0.31 C ATOM 1260 C GLU A 100 -6.463 -0.468 -9.091 1.00 0.26 C ATOM 1261 O GLU A 100 -7.301 0.112 -9.752 1.00 0.25 O ATOM 1262 CB GLU A 100 -4.666 -1.866 -10.146 1.00 0.36 C ATOM 1263 CG GLU A 100 -4.537 -1.715 -11.662 1.00 0.42 C ATOM 1264 CD GLU A 100 -3.500 -0.638 -11.994 1.00 2.18 C ATOM 1265 OE1 GLU A 100 -2.364 -0.786 -11.570 1.00 3.68 O ATOM 1266 OE2 GLU A 100 -3.859 0.316 -12.664 1.00 2.11 O ATOM 0 H GLU A 100 -3.684 -1.240 -8.003 1.00 0.32 H new ATOM 0 HA GLU A 100 -4.760 0.272 -10.210 1.00 0.31 H new ATOM 0 HB2 GLU A 100 -3.735 -2.256 -9.733 1.00 0.36 H new ATOM 0 HB3 GLU A 100 -5.446 -2.590 -9.912 1.00 0.36 H new ATOM 0 HG2 GLU A 100 -4.242 -2.665 -12.107 1.00 0.42 H new ATOM 0 HG3 GLU A 100 -5.502 -1.448 -12.093 1.00 0.42 H new ATOM 1273 N TYR A 101 -6.751 -1.055 -7.957 1.00 0.24 N ATOM 1274 CA TYR A 101 -8.129 -1.038 -7.419 1.00 0.20 C ATOM 1275 C TYR A 101 -8.574 0.406 -7.234 1.00 0.18 C ATOM 1276 O TYR A 101 -9.634 0.809 -7.668 1.00 0.15 O ATOM 1277 CB TYR A 101 -8.134 -1.737 -6.056 1.00 0.19 C ATOM 1278 CG TYR A 101 -9.249 -2.745 -6.014 1.00 0.19 C ATOM 1279 CD1 TYR A 101 -9.259 -3.805 -6.922 1.00 0.41 C ATOM 1280 CD2 TYR A 101 -10.274 -2.618 -5.071 1.00 0.16 C ATOM 1281 CE1 TYR A 101 -10.295 -4.743 -6.893 1.00 0.44 C ATOM 1282 CE2 TYR A 101 -11.311 -3.557 -5.041 1.00 0.19 C ATOM 1283 CZ TYR A 101 -11.322 -4.618 -5.952 1.00 0.28 C ATOM 1284 OH TYR A 101 -12.346 -5.541 -5.921 1.00 0.35 O ATOM 0 H TYR A 101 -6.073 -1.551 -7.378 1.00 0.24 H new ATOM 0 HA TYR A 101 -8.804 -1.548 -8.106 1.00 0.20 H new ATOM 0 HB2 TYR A 101 -7.177 -2.230 -5.885 1.00 0.19 H new ATOM 0 HB3 TYR A 101 -8.262 -1.004 -5.260 1.00 0.19 H new ATOM 0 HD1 TYR A 101 -8.465 -3.901 -7.648 1.00 0.41 H new ATOM 0 HD2 TYR A 101 -10.265 -1.798 -4.368 1.00 0.16 H new ATOM 0 HE1 TYR A 101 -10.302 -5.563 -7.596 1.00 0.44 H new ATOM 0 HE2 TYR A 101 -12.104 -3.462 -4.314 1.00 0.19 H new ATOM 0 HH TYR A 101 -12.596 -5.721 -4.991 1.00 0.35 H new ATOM 1294 N LEU A 102 -7.773 1.177 -6.562 1.00 0.21 N ATOM 1295 CA LEU A 102 -8.137 2.595 -6.300 1.00 0.20 C ATOM 1296 C LEU A 102 -7.586 3.510 -7.395 1.00 0.24 C ATOM 1297 O LEU A 102 -7.657 4.716 -7.283 1.00 0.21 O ATOM 1298 CB LEU A 102 -7.554 3.023 -4.953 1.00 0.21 C ATOM 1299 CG LEU A 102 -7.751 1.910 -3.919 1.00 0.21 C ATOM 1300 CD1 LEU A 102 -6.451 1.691 -3.149 1.00 0.23 C ATOM 1301 CD2 LEU A 102 -8.861 2.313 -2.956 1.00 0.19 C ATOM 0 H LEU A 102 -6.874 0.885 -6.179 1.00 0.21 H new ATOM 0 HA LEU A 102 -9.224 2.678 -6.288 1.00 0.20 H new ATOM 0 HB2 LEU A 102 -6.493 3.246 -5.061 1.00 0.21 H new ATOM 0 HB3 LEU A 102 -8.039 3.938 -4.612 1.00 0.21 H new ATOM 0 HG LEU A 102 -8.026 0.984 -4.423 1.00 0.21 H new ATOM 0 HD11 LEU A 102 -6.593 0.899 -2.414 1.00 0.23 H new ATOM 0 HD12 LEU A 102 -5.661 1.405 -3.843 1.00 0.23 H new ATOM 0 HD13 LEU A 102 -6.170 2.613 -2.640 1.00 0.23 H new ATOM 0 HD21 LEU A 102 -9.006 1.525 -2.217 1.00 0.19 H new ATOM 0 HD22 LEU A 102 -8.585 3.238 -2.450 1.00 0.19 H new ATOM 0 HD23 LEU A 102 -9.787 2.465 -3.511 1.00 0.19 H new ATOM 1313 N GLN A 103 -7.034 2.968 -8.446 1.00 0.30 N ATOM 1314 CA GLN A 103 -6.489 3.852 -9.514 1.00 0.35 C ATOM 1315 C GLN A 103 -7.625 4.274 -10.446 1.00 0.36 C ATOM 1316 O GLN A 103 -7.604 5.341 -11.027 1.00 0.55 O ATOM 1317 CB GLN A 103 -5.417 3.115 -10.318 1.00 0.33 C ATOM 1318 CG GLN A 103 -4.805 4.077 -11.341 1.00 0.28 C ATOM 1319 CD GLN A 103 -4.939 3.485 -12.745 1.00 0.38 C ATOM 1320 OE1 GLN A 103 -3.953 3.183 -13.386 1.00 0.64 O ATOM 1321 NE2 GLN A 103 -6.128 3.307 -13.254 1.00 1.79 N ATOM 0 H GLN A 103 -6.938 1.966 -8.610 1.00 0.30 H new ATOM 0 HA GLN A 103 -6.040 4.732 -9.053 1.00 0.35 H new ATOM 0 HB2 GLN A 103 -4.643 2.734 -9.651 1.00 0.33 H new ATOM 0 HB3 GLN A 103 -5.853 2.255 -10.826 1.00 0.33 H new ATOM 0 HG2 GLN A 103 -5.308 5.043 -11.293 1.00 0.28 H new ATOM 0 HG3 GLN A 103 -3.755 4.252 -11.108 1.00 0.28 H new ATOM 0 HE21 GLN A 103 -6.956 3.561 -12.716 1.00 1.79 H new ATOM 0 HE22 GLN A 103 -6.229 2.914 -14.190 1.00 1.79 H new ATOM 1330 N ASN A 104 -8.617 3.438 -10.600 1.00 0.37 N ATOM 1331 CA ASN A 104 -9.753 3.785 -11.502 1.00 0.36 C ATOM 1332 C ASN A 104 -11.076 3.755 -10.723 1.00 0.34 C ATOM 1333 O ASN A 104 -12.043 4.380 -11.110 1.00 0.34 O ATOM 1334 CB ASN A 104 -9.814 2.773 -12.648 1.00 0.33 C ATOM 1335 CG ASN A 104 -10.633 3.355 -13.801 1.00 0.21 C ATOM 1336 OD1 ASN A 104 -11.612 2.771 -14.222 1.00 1.57 O ATOM 1337 ND2 ASN A 104 -10.270 4.489 -14.335 1.00 1.20 N ATOM 0 H ASN A 104 -8.690 2.530 -10.140 1.00 0.37 H new ATOM 0 HA ASN A 104 -9.600 4.788 -11.901 1.00 0.36 H new ATOM 0 HB2 ASN A 104 -8.807 2.533 -12.989 1.00 0.33 H new ATOM 0 HB3 ASN A 104 -10.264 1.843 -12.302 1.00 0.33 H new ATOM 0 HD21 ASN A 104 -10.808 4.885 -15.106 1.00 1.20 H new ATOM 0 HD22 ASN A 104 -9.448 4.979 -13.982 1.00 1.20 H new ATOM 1344 N ARG A 105 -11.130 3.033 -9.634 1.00 0.33 N ATOM 1345 CA ARG A 105 -12.394 2.967 -8.844 1.00 0.31 C ATOM 1346 C ARG A 105 -12.812 4.378 -8.427 1.00 0.24 C ATOM 1347 O ARG A 105 -13.983 4.693 -8.347 1.00 0.28 O ATOM 1348 CB ARG A 105 -12.169 2.117 -7.591 1.00 0.32 C ATOM 1349 CG ARG A 105 -12.331 0.635 -7.936 1.00 1.23 C ATOM 1350 CD ARG A 105 -13.799 0.232 -7.786 1.00 0.98 C ATOM 1351 NE ARG A 105 -14.422 0.113 -9.135 1.00 1.99 N ATOM 1352 CZ ARG A 105 -15.686 0.395 -9.299 1.00 2.26 C ATOM 1353 NH1 ARG A 105 -16.521 0.259 -8.306 1.00 1.73 N ATOM 1354 NH2 ARG A 105 -16.117 0.813 -10.458 1.00 3.38 N ATOM 0 H ARG A 105 -10.354 2.487 -9.259 1.00 0.33 H new ATOM 0 HA ARG A 105 -13.178 2.520 -9.455 1.00 0.31 H new ATOM 0 HB2 ARG A 105 -11.172 2.300 -7.190 1.00 0.32 H new ATOM 0 HB3 ARG A 105 -12.881 2.400 -6.816 1.00 0.32 H new ATOM 0 HG2 ARG A 105 -11.995 0.450 -8.956 1.00 1.23 H new ATOM 0 HG3 ARG A 105 -11.708 0.028 -7.280 1.00 1.23 H new ATOM 0 HD2 ARG A 105 -13.874 -0.716 -7.254 1.00 0.98 H new ATOM 0 HD3 ARG A 105 -14.332 0.974 -7.192 1.00 0.98 H new ATOM 0 HE ARG A 105 -13.860 -0.189 -9.931 1.00 1.99 H new ATOM 0 HH11 ARG A 105 -16.187 -0.068 -7.400 1.00 1.73 H new ATOM 0 HH12 ARG A 105 -17.508 0.480 -8.436 1.00 1.73 H new ATOM 0 HH21 ARG A 105 -15.466 0.919 -11.236 1.00 3.38 H new ATOM 0 HH22 ARG A 105 -17.105 1.033 -10.586 1.00 3.38 H new ATOM 1368 N PHE A 106 -11.862 5.229 -8.159 1.00 0.24 N ATOM 1369 CA PHE A 106 -12.204 6.619 -7.744 1.00 0.18 C ATOM 1370 C PHE A 106 -12.624 7.430 -8.972 1.00 0.21 C ATOM 1371 O PHE A 106 -11.804 8.008 -9.656 1.00 0.33 O ATOM 1372 CB PHE A 106 -10.983 7.268 -7.091 1.00 0.15 C ATOM 1373 CG PHE A 106 -11.044 7.065 -5.595 1.00 0.15 C ATOM 1374 CD1 PHE A 106 -11.861 7.886 -4.808 1.00 0.72 C ATOM 1375 CD2 PHE A 106 -10.284 6.053 -4.996 1.00 0.64 C ATOM 1376 CE1 PHE A 106 -11.916 7.697 -3.422 1.00 0.76 C ATOM 1377 CE2 PHE A 106 -10.339 5.864 -3.610 1.00 0.60 C ATOM 1378 CZ PHE A 106 -11.155 6.685 -2.823 1.00 0.18 C ATOM 0 H PHE A 106 -10.864 5.023 -8.209 1.00 0.24 H new ATOM 0 HA PHE A 106 -13.027 6.595 -7.030 1.00 0.18 H new ATOM 0 HB2 PHE A 106 -10.068 6.831 -7.491 1.00 0.15 H new ATOM 0 HB3 PHE A 106 -10.956 8.333 -7.323 1.00 0.15 H new ATOM 0 HD1 PHE A 106 -12.449 8.665 -5.270 1.00 0.72 H new ATOM 0 HD2 PHE A 106 -9.655 5.418 -5.603 1.00 0.64 H new ATOM 0 HE1 PHE A 106 -12.545 8.331 -2.815 1.00 0.76 H new ATOM 0 HE2 PHE A 106 -9.752 5.084 -3.148 1.00 0.60 H new ATOM 0 HZ PHE A 106 -11.198 6.538 -1.754 1.00 0.18 H new ATOM 1388 N GLU A 107 -13.897 7.475 -9.256 1.00 0.14 N ATOM 1389 CA GLU A 107 -14.377 8.248 -10.443 1.00 0.18 C ATOM 1390 C GLU A 107 -14.761 9.658 -10.000 1.00 0.18 C ATOM 1391 O GLU A 107 -14.811 10.578 -10.793 1.00 0.21 O ATOM 1392 CB GLU A 107 -15.613 7.577 -11.065 1.00 0.23 C ATOM 1393 CG GLU A 107 -15.591 6.070 -10.803 1.00 2.03 C ATOM 1394 CD GLU A 107 -16.092 5.327 -12.043 1.00 2.74 C ATOM 1395 OE1 GLU A 107 -15.632 5.648 -13.127 1.00 2.83 O ATOM 1396 OE2 GLU A 107 -16.926 4.450 -11.888 1.00 3.51 O ATOM 0 H GLU A 107 -14.628 7.010 -8.718 1.00 0.14 H new ATOM 0 HA GLU A 107 -13.577 8.280 -11.183 1.00 0.18 H new ATOM 0 HB2 GLU A 107 -16.520 8.012 -10.646 1.00 0.23 H new ATOM 0 HB3 GLU A 107 -15.635 7.766 -12.138 1.00 0.23 H new ATOM 0 HG2 GLU A 107 -14.579 5.748 -10.558 1.00 2.03 H new ATOM 0 HG3 GLU A 107 -16.219 5.831 -9.945 1.00 2.03 H new ATOM 1403 N SER A 108 -15.028 9.839 -8.736 1.00 0.16 N ATOM 1404 CA SER A 108 -15.403 11.190 -8.245 1.00 0.20 C ATOM 1405 C SER A 108 -14.130 11.916 -7.828 1.00 0.17 C ATOM 1406 O SER A 108 -13.874 13.035 -8.227 1.00 0.27 O ATOM 1407 CB SER A 108 -16.337 11.059 -7.039 1.00 0.22 C ATOM 1408 OG SER A 108 -17.619 11.573 -7.378 1.00 1.01 O ATOM 0 H SER A 108 -15.002 9.109 -8.024 1.00 0.16 H new ATOM 0 HA SER A 108 -15.916 11.746 -9.029 1.00 0.20 H new ATOM 0 HB2 SER A 108 -16.419 10.014 -6.740 1.00 0.22 H new ATOM 0 HB3 SER A 108 -15.928 11.603 -6.187 1.00 0.22 H new ATOM 0 HG SER A 108 -18.219 11.489 -6.608 1.00 1.01 H new ATOM 1414 N SER A 109 -13.319 11.267 -7.045 1.00 0.13 N ATOM 1415 CA SER A 109 -12.040 11.884 -6.608 1.00 0.16 C ATOM 1416 C SER A 109 -10.903 11.190 -7.356 1.00 0.14 C ATOM 1417 O SER A 109 -9.886 10.844 -6.788 1.00 0.20 O ATOM 1418 CB SER A 109 -11.865 11.688 -5.101 1.00 0.21 C ATOM 1419 OG SER A 109 -11.106 12.767 -4.572 1.00 0.27 O ATOM 0 H SER A 109 -13.489 10.328 -6.686 1.00 0.13 H new ATOM 0 HA SER A 109 -12.038 12.952 -6.824 1.00 0.16 H new ATOM 0 HB2 SER A 109 -12.839 11.640 -4.613 1.00 0.21 H new ATOM 0 HB3 SER A 109 -11.362 10.742 -4.902 1.00 0.21 H new ATOM 0 HG SER A 109 -11.128 12.733 -3.593 1.00 0.27 H new ATOM 1425 N GLU A 110 -11.086 10.964 -8.629 1.00 0.13 N ATOM 1426 CA GLU A 110 -10.046 10.274 -9.433 1.00 0.16 C ATOM 1427 C GLU A 110 -8.690 10.959 -9.245 1.00 0.22 C ATOM 1428 O GLU A 110 -7.671 10.313 -9.108 1.00 0.23 O ATOM 1429 CB GLU A 110 -10.437 10.323 -10.911 1.00 0.15 C ATOM 1430 CG GLU A 110 -9.399 9.563 -11.739 1.00 0.47 C ATOM 1431 CD GLU A 110 -9.283 10.199 -13.126 1.00 1.40 C ATOM 1432 OE1 GLU A 110 -8.565 11.177 -13.249 1.00 2.59 O ATOM 1433 OE2 GLU A 110 -9.914 9.696 -14.042 1.00 1.22 O ATOM 0 H GLU A 110 -11.922 11.232 -9.148 1.00 0.13 H new ATOM 0 HA GLU A 110 -9.969 9.238 -9.102 1.00 0.16 H new ATOM 0 HB2 GLU A 110 -11.424 9.882 -11.052 1.00 0.15 H new ATOM 0 HB3 GLU A 110 -10.499 11.358 -11.248 1.00 0.15 H new ATOM 0 HG2 GLU A 110 -8.432 9.584 -11.236 1.00 0.47 H new ATOM 0 HG3 GLU A 110 -9.688 8.516 -11.831 1.00 0.47 H new ATOM 1440 N GLU A 111 -8.667 12.264 -9.250 1.00 0.29 N ATOM 1441 CA GLU A 111 -7.375 12.993 -9.088 1.00 0.36 C ATOM 1442 C GLU A 111 -6.630 12.480 -7.851 1.00 0.25 C ATOM 1443 O GLU A 111 -5.425 12.339 -7.860 1.00 0.32 O ATOM 1444 CB GLU A 111 -7.655 14.490 -8.937 1.00 0.48 C ATOM 1445 CG GLU A 111 -8.306 15.013 -10.218 1.00 1.17 C ATOM 1446 CD GLU A 111 -7.364 14.784 -11.399 1.00 1.67 C ATOM 1447 OE1 GLU A 111 -6.175 14.636 -11.164 1.00 2.58 O ATOM 1448 OE2 GLU A 111 -7.845 14.758 -12.520 1.00 2.67 O ATOM 0 H GLU A 111 -9.488 12.859 -9.359 1.00 0.29 H new ATOM 0 HA GLU A 111 -6.754 12.822 -9.968 1.00 0.36 H new ATOM 0 HB2 GLU A 111 -8.311 14.665 -8.084 1.00 0.48 H new ATOM 0 HB3 GLU A 111 -6.727 15.027 -8.741 1.00 0.48 H new ATOM 0 HG2 GLU A 111 -9.254 14.503 -10.391 1.00 1.17 H new ATOM 0 HG3 GLU A 111 -8.529 16.075 -10.118 1.00 1.17 H new ATOM 1455 N GLN A 112 -7.333 12.204 -6.787 1.00 0.20 N ATOM 1456 CA GLN A 112 -6.656 11.703 -5.555 1.00 0.23 C ATOM 1457 C GLN A 112 -6.179 10.264 -5.770 1.00 0.19 C ATOM 1458 O GLN A 112 -5.123 9.877 -5.309 1.00 0.26 O ATOM 1459 CB GLN A 112 -7.640 11.750 -4.385 1.00 0.30 C ATOM 1460 CG GLN A 112 -7.982 13.209 -4.072 1.00 0.43 C ATOM 1461 CD GLN A 112 -7.065 13.728 -2.960 1.00 0.69 C ATOM 1462 OE1 GLN A 112 -7.441 14.609 -2.213 1.00 0.95 O ATOM 1463 NE2 GLN A 112 -5.869 13.222 -2.819 1.00 2.02 N ATOM 0 H GLN A 112 -8.346 12.303 -6.716 1.00 0.20 H new ATOM 0 HA GLN A 112 -5.794 12.332 -5.334 1.00 0.23 H new ATOM 0 HB2 GLN A 112 -8.546 11.197 -4.634 1.00 0.30 H new ATOM 0 HB3 GLN A 112 -7.204 11.270 -3.509 1.00 0.30 H new ATOM 0 HG2 GLN A 112 -7.865 13.820 -4.967 1.00 0.43 H new ATOM 0 HG3 GLN A 112 -9.024 13.290 -3.764 1.00 0.43 H new ATOM 0 HE21 GLN A 112 -5.551 12.482 -3.445 1.00 2.02 H new ATOM 0 HE22 GLN A 112 -5.253 13.567 -2.083 1.00 2.02 H new ATOM 1472 N ALA A 113 -6.942 9.471 -6.466 1.00 0.15 N ATOM 1473 CA ALA A 113 -6.529 8.059 -6.711 1.00 0.23 C ATOM 1474 C ALA A 113 -5.199 8.038 -7.470 1.00 0.15 C ATOM 1475 O ALA A 113 -4.364 7.180 -7.258 1.00 0.24 O ATOM 1476 CB ALA A 113 -7.598 7.360 -7.548 1.00 0.32 C ATOM 0 H ALA A 113 -7.836 9.738 -6.878 1.00 0.15 H new ATOM 0 HA ALA A 113 -6.411 7.544 -5.758 1.00 0.23 H new ATOM 0 HB1 ALA A 113 -7.300 6.327 -7.730 1.00 0.32 H new ATOM 0 HB2 ALA A 113 -8.547 7.375 -7.012 1.00 0.32 H new ATOM 0 HB3 ALA A 113 -7.711 7.878 -8.500 1.00 0.32 H new ATOM 1482 N ARG A 114 -4.996 8.977 -8.356 1.00 0.09 N ATOM 1483 CA ARG A 114 -3.724 9.014 -9.131 1.00 0.15 C ATOM 1484 C ARG A 114 -2.632 9.676 -8.289 1.00 0.18 C ATOM 1485 O ARG A 114 -1.468 9.348 -8.395 1.00 0.27 O ATOM 1486 CB ARG A 114 -3.934 9.817 -10.417 1.00 0.18 C ATOM 1487 CG ARG A 114 -3.880 8.877 -11.623 1.00 0.58 C ATOM 1488 CD ARG A 114 -4.713 9.464 -12.764 1.00 0.73 C ATOM 1489 NE ARG A 114 -4.236 8.912 -14.064 1.00 1.04 N ATOM 1490 CZ ARG A 114 -3.546 9.661 -14.880 1.00 0.21 C ATOM 1491 NH1 ARG A 114 -4.106 10.696 -15.446 1.00 0.91 N ATOM 1492 NH2 ARG A 114 -2.297 9.380 -15.127 1.00 0.95 N ATOM 0 H ARG A 114 -5.658 9.721 -8.576 1.00 0.09 H new ATOM 0 HA ARG A 114 -3.422 7.997 -9.382 1.00 0.15 H new ATOM 0 HB2 ARG A 114 -4.896 10.329 -10.385 1.00 0.18 H new ATOM 0 HB3 ARG A 114 -3.166 10.586 -10.507 1.00 0.18 H new ATOM 0 HG2 ARG A 114 -2.848 8.740 -11.945 1.00 0.58 H new ATOM 0 HG3 ARG A 114 -4.261 7.893 -11.349 1.00 0.58 H new ATOM 0 HD2 ARG A 114 -5.766 9.224 -12.620 1.00 0.73 H new ATOM 0 HD3 ARG A 114 -4.631 10.551 -12.766 1.00 0.73 H new ATOM 0 HE ARG A 114 -4.449 7.947 -14.316 1.00 1.04 H new ATOM 0 HH11 ARG A 114 -5.082 10.918 -15.250 1.00 0.91 H new ATOM 0 HH12 ARG A 114 -3.567 11.282 -16.084 1.00 0.91 H new ATOM 0 HH21 ARG A 114 -1.858 8.574 -14.682 1.00 0.95 H new ATOM 0 HH22 ARG A 114 -1.759 9.966 -15.765 1.00 0.95 H new ATOM 1506 N ALA A 115 -2.998 10.602 -7.448 1.00 0.22 N ATOM 1507 CA ALA A 115 -1.977 11.274 -6.598 1.00 0.30 C ATOM 1508 C ALA A 115 -1.366 10.243 -5.652 1.00 0.29 C ATOM 1509 O ALA A 115 -0.244 10.382 -5.203 1.00 0.46 O ATOM 1510 CB ALA A 115 -2.642 12.384 -5.782 1.00 0.32 C ATOM 0 H ALA A 115 -3.957 10.922 -7.313 1.00 0.22 H new ATOM 0 HA ALA A 115 -1.199 11.707 -7.227 1.00 0.30 H new ATOM 0 HB1 ALA A 115 -1.894 12.876 -5.160 1.00 0.32 H new ATOM 0 HB2 ALA A 115 -3.089 13.114 -6.457 1.00 0.32 H new ATOM 0 HB3 ALA A 115 -3.417 11.954 -5.147 1.00 0.32 H new ATOM 1516 N VAL A 116 -2.095 9.205 -5.349 1.00 0.17 N ATOM 1517 CA VAL A 116 -1.561 8.160 -4.438 1.00 0.18 C ATOM 1518 C VAL A 116 -0.828 7.099 -5.262 1.00 0.21 C ATOM 1519 O VAL A 116 0.374 6.977 -5.197 1.00 0.75 O ATOM 1520 CB VAL A 116 -2.717 7.504 -3.679 1.00 0.24 C ATOM 1521 CG1 VAL A 116 -2.180 6.374 -2.798 1.00 1.53 C ATOM 1522 CG2 VAL A 116 -3.407 8.550 -2.801 1.00 1.88 C ATOM 0 H VAL A 116 -3.040 9.037 -5.695 1.00 0.17 H new ATOM 0 HA VAL A 116 -0.871 8.614 -3.727 1.00 0.18 H new ATOM 0 HB VAL A 116 -3.433 7.096 -4.393 1.00 0.24 H new ATOM 0 HG11 VAL A 116 -3.006 5.909 -2.259 1.00 1.53 H new ATOM 0 HG12 VAL A 116 -1.689 5.628 -3.423 1.00 1.53 H new ATOM 0 HG13 VAL A 116 -1.463 6.779 -2.084 1.00 1.53 H new ATOM 0 HG21 VAL A 116 -4.231 8.085 -2.260 1.00 1.88 H new ATOM 0 HG22 VAL A 116 -2.689 8.958 -2.089 1.00 1.88 H new ATOM 0 HG23 VAL A 116 -3.793 9.354 -3.428 1.00 1.88 H new ATOM 1532 N GLN A 117 -1.554 6.327 -6.027 1.00 0.41 N ATOM 1533 CA GLN A 117 -0.925 5.254 -6.854 1.00 0.39 C ATOM 1534 C GLN A 117 0.329 5.766 -7.576 1.00 0.37 C ATOM 1535 O GLN A 117 1.375 5.150 -7.530 1.00 0.33 O ATOM 1536 CB GLN A 117 -1.939 4.773 -7.893 1.00 0.48 C ATOM 1537 CG GLN A 117 -1.369 3.571 -8.640 1.00 0.65 C ATOM 1538 CD GLN A 117 -0.780 4.033 -9.974 1.00 0.58 C ATOM 1539 OE1 GLN A 117 -0.788 5.209 -10.280 1.00 1.10 O ATOM 1540 NE2 GLN A 117 -0.267 3.152 -10.787 1.00 1.03 N ATOM 0 H GLN A 117 -2.568 6.395 -6.115 1.00 0.41 H new ATOM 0 HA GLN A 117 -0.629 4.438 -6.195 1.00 0.39 H new ATOM 0 HB2 GLN A 117 -2.875 4.501 -7.405 1.00 0.48 H new ATOM 0 HB3 GLN A 117 -2.167 5.576 -8.594 1.00 0.48 H new ATOM 0 HG2 GLN A 117 -0.600 3.087 -8.039 1.00 0.65 H new ATOM 0 HG3 GLN A 117 -2.151 2.832 -8.812 1.00 0.65 H new ATOM 0 HE21 GLN A 117 -0.260 2.165 -10.531 1.00 1.03 H new ATOM 0 HE22 GLN A 117 0.127 3.450 -11.679 1.00 1.03 H new ATOM 1549 N MET A 118 0.231 6.872 -8.260 1.00 0.42 N ATOM 1550 CA MET A 118 1.416 7.401 -9.002 1.00 0.45 C ATOM 1551 C MET A 118 2.655 7.423 -8.096 1.00 0.43 C ATOM 1552 O MET A 118 3.720 6.971 -8.475 1.00 0.55 O ATOM 1553 CB MET A 118 1.120 8.819 -9.493 1.00 0.45 C ATOM 1554 CG MET A 118 0.112 8.760 -10.646 1.00 0.45 C ATOM 1555 SD MET A 118 0.913 9.282 -12.184 1.00 0.29 S ATOM 1556 CE MET A 118 0.422 11.022 -12.112 1.00 0.98 C ATOM 0 H MET A 118 -0.617 7.434 -8.339 1.00 0.42 H new ATOM 0 HA MET A 118 1.615 6.749 -9.852 1.00 0.45 H new ATOM 0 HB2 MET A 118 0.721 9.422 -8.677 1.00 0.45 H new ATOM 0 HB3 MET A 118 2.040 9.300 -9.824 1.00 0.45 H new ATOM 0 HG2 MET A 118 -0.275 7.747 -10.752 1.00 0.45 H new ATOM 0 HG3 MET A 118 -0.740 9.406 -10.431 1.00 0.45 H new ATOM 0 HE1 MET A 118 0.816 11.547 -12.982 1.00 0.98 H new ATOM 0 HE2 MET A 118 -0.666 11.093 -12.107 1.00 0.98 H new ATOM 0 HE3 MET A 118 0.820 11.475 -11.204 1.00 0.98 H new ATOM 1566 N SER A 119 2.534 7.950 -6.911 1.00 0.32 N ATOM 1567 CA SER A 119 3.712 8.005 -6.000 1.00 0.39 C ATOM 1568 C SER A 119 4.132 6.590 -5.592 1.00 0.41 C ATOM 1569 O SER A 119 5.302 6.280 -5.528 1.00 0.45 O ATOM 1570 CB SER A 119 3.347 8.803 -4.749 1.00 0.33 C ATOM 1571 OG SER A 119 4.516 9.011 -3.969 1.00 1.35 O ATOM 0 H SER A 119 1.673 8.345 -6.533 1.00 0.32 H new ATOM 0 HA SER A 119 4.540 8.486 -6.520 1.00 0.39 H new ATOM 0 HB2 SER A 119 2.908 9.760 -5.029 1.00 0.33 H new ATOM 0 HB3 SER A 119 2.598 8.267 -4.167 1.00 0.33 H new ATOM 0 HG SER A 119 4.287 9.524 -3.166 1.00 1.35 H new ATOM 1577 N THR A 120 3.190 5.735 -5.309 1.00 0.39 N ATOM 1578 CA THR A 120 3.542 4.347 -4.895 1.00 0.41 C ATOM 1579 C THR A 120 4.414 3.696 -5.968 1.00 0.36 C ATOM 1580 O THR A 120 5.201 2.814 -5.689 1.00 0.29 O ATOM 1581 CB THR A 120 2.265 3.528 -4.700 1.00 0.49 C ATOM 1582 OG1 THR A 120 1.619 3.350 -5.952 1.00 1.34 O ATOM 1583 CG2 THR A 120 1.330 4.257 -3.732 1.00 0.70 C ATOM 0 H THR A 120 2.191 5.937 -5.346 1.00 0.39 H new ATOM 0 HA THR A 120 4.094 4.380 -3.955 1.00 0.41 H new ATOM 0 HB THR A 120 2.519 2.552 -4.285 1.00 0.49 H new ATOM 0 HG1 THR A 120 1.800 4.123 -6.526 1.00 1.34 H new ATOM 0 HG21 THR A 120 0.421 3.672 -3.594 1.00 0.70 H new ATOM 0 HG22 THR A 120 1.829 4.384 -2.771 1.00 0.70 H new ATOM 0 HG23 THR A 120 1.074 5.235 -4.140 1.00 0.70 H new ATOM 1591 N LYS A 121 4.300 4.139 -7.189 1.00 0.40 N ATOM 1592 CA LYS A 121 5.148 3.559 -8.265 1.00 0.38 C ATOM 1593 C LYS A 121 6.503 4.250 -8.200 1.00 0.31 C ATOM 1594 O LYS A 121 7.533 3.663 -8.460 1.00 0.29 O ATOM 1595 CB LYS A 121 4.504 3.815 -9.630 1.00 0.45 C ATOM 1596 CG LYS A 121 3.187 3.043 -9.730 1.00 0.94 C ATOM 1597 CD LYS A 121 2.753 2.961 -11.194 1.00 1.37 C ATOM 1598 CE LYS A 121 2.489 4.370 -11.728 1.00 2.47 C ATOM 1599 NZ LYS A 121 2.352 4.320 -13.211 1.00 2.66 N ATOM 0 H LYS A 121 3.659 4.874 -7.487 1.00 0.40 H new ATOM 0 HA LYS A 121 5.255 2.483 -8.131 1.00 0.38 H new ATOM 0 HB2 LYS A 121 4.323 4.882 -9.763 1.00 0.45 H new ATOM 0 HB3 LYS A 121 5.180 3.504 -10.426 1.00 0.45 H new ATOM 0 HG2 LYS A 121 3.309 2.041 -9.319 1.00 0.94 H new ATOM 0 HG3 LYS A 121 2.417 3.539 -9.139 1.00 0.94 H new ATOM 0 HD2 LYS A 121 3.528 2.475 -11.787 1.00 1.37 H new ATOM 0 HD3 LYS A 121 1.853 2.352 -11.284 1.00 1.37 H new ATOM 0 HE2 LYS A 121 1.581 4.776 -11.281 1.00 2.47 H new ATOM 0 HE3 LYS A 121 3.306 5.035 -11.450 1.00 2.47 H new ATOM 0 HZ1 LYS A 121 2.172 5.277 -13.576 1.00 2.66 H new ATOM 0 HZ2 LYS A 121 3.230 3.950 -13.628 1.00 2.66 H new ATOM 0 HZ3 LYS A 121 1.558 3.698 -13.466 1.00 2.66 H new ATOM 1613 N VAL A 122 6.496 5.500 -7.837 1.00 0.31 N ATOM 1614 CA VAL A 122 7.766 6.263 -7.726 1.00 0.25 C ATOM 1615 C VAL A 122 8.659 5.628 -6.654 1.00 0.22 C ATOM 1616 O VAL A 122 9.864 5.744 -6.700 1.00 0.15 O ATOM 1617 CB VAL A 122 7.440 7.706 -7.342 1.00 0.30 C ATOM 1618 CG1 VAL A 122 8.733 8.490 -7.124 1.00 0.28 C ATOM 1619 CG2 VAL A 122 6.640 8.355 -8.470 1.00 0.30 C ATOM 0 H VAL A 122 5.655 6.031 -7.610 1.00 0.31 H new ATOM 0 HA VAL A 122 8.294 6.245 -8.679 1.00 0.25 H new ATOM 0 HB VAL A 122 6.857 7.713 -6.421 1.00 0.30 H new ATOM 0 HG11 VAL A 122 8.494 9.518 -6.851 1.00 0.28 H new ATOM 0 HG12 VAL A 122 9.309 8.026 -6.323 1.00 0.28 H new ATOM 0 HG13 VAL A 122 9.320 8.486 -8.042 1.00 0.28 H new ATOM 0 HG21 VAL A 122 6.404 9.385 -8.203 1.00 0.30 H new ATOM 0 HG22 VAL A 122 7.229 8.344 -9.387 1.00 0.30 H new ATOM 0 HG23 VAL A 122 5.715 7.800 -8.626 1.00 0.30 H new ATOM 1629 N LEU A 123 8.082 4.954 -5.692 1.00 0.28 N ATOM 1630 CA LEU A 123 8.920 4.313 -4.634 1.00 0.26 C ATOM 1631 C LEU A 123 9.419 2.963 -5.151 1.00 0.26 C ATOM 1632 O LEU A 123 10.464 2.480 -4.763 1.00 0.23 O ATOM 1633 CB LEU A 123 8.087 4.082 -3.361 1.00 0.32 C ATOM 1634 CG LEU A 123 7.853 5.398 -2.602 1.00 0.32 C ATOM 1635 CD1 LEU A 123 9.165 6.175 -2.452 1.00 0.37 C ATOM 1636 CD2 LEU A 123 6.836 6.247 -3.361 1.00 0.88 C ATOM 0 H LEU A 123 7.076 4.820 -5.593 1.00 0.28 H new ATOM 0 HA LEU A 123 9.760 4.966 -4.397 1.00 0.26 H new ATOM 0 HB2 LEU A 123 7.128 3.637 -3.627 1.00 0.32 H new ATOM 0 HB3 LEU A 123 8.599 3.371 -2.712 1.00 0.32 H new ATOM 0 HG LEU A 123 7.472 5.167 -1.607 1.00 0.32 H new ATOM 0 HD11 LEU A 123 8.978 7.103 -1.912 1.00 0.37 H new ATOM 0 HD12 LEU A 123 9.884 5.571 -1.898 1.00 0.37 H new ATOM 0 HD13 LEU A 123 9.567 6.404 -3.439 1.00 0.37 H new ATOM 0 HD21 LEU A 123 6.669 7.181 -2.824 1.00 0.88 H new ATOM 0 HD22 LEU A 123 7.217 6.465 -4.359 1.00 0.88 H new ATOM 0 HD23 LEU A 123 5.896 5.702 -3.443 1.00 0.88 H new ATOM 1648 N ILE A 124 8.666 2.351 -6.020 1.00 0.31 N ATOM 1649 CA ILE A 124 9.068 1.027 -6.573 1.00 0.34 C ATOM 1650 C ILE A 124 10.255 1.200 -7.522 1.00 0.31 C ATOM 1651 O ILE A 124 11.142 0.369 -7.580 1.00 0.38 O ATOM 1652 CB ILE A 124 7.882 0.431 -7.336 1.00 0.38 C ATOM 1653 CG1 ILE A 124 6.717 0.206 -6.367 1.00 0.09 C ATOM 1654 CG2 ILE A 124 8.284 -0.905 -7.962 1.00 0.67 C ATOM 1655 CD1 ILE A 124 5.405 0.157 -7.151 1.00 0.37 C ATOM 0 H ILE A 124 7.781 2.714 -6.375 1.00 0.31 H new ATOM 0 HA ILE A 124 9.360 0.362 -5.760 1.00 0.34 H new ATOM 0 HB ILE A 124 7.579 1.121 -8.124 1.00 0.38 H new ATOM 0 HG12 ILE A 124 6.861 -0.725 -5.819 1.00 0.09 H new ATOM 0 HG13 ILE A 124 6.683 1.008 -5.630 1.00 0.09 H new ATOM 0 HG21 ILE A 124 7.435 -1.323 -8.503 1.00 0.67 H new ATOM 0 HG22 ILE A 124 9.113 -0.749 -8.652 1.00 0.67 H new ATOM 0 HG23 ILE A 124 8.591 -1.597 -7.177 1.00 0.67 H new ATOM 0 HD11 ILE A 124 4.575 -0.003 -6.462 1.00 0.37 H new ATOM 0 HD12 ILE A 124 5.261 1.100 -7.679 1.00 0.37 H new ATOM 0 HD13 ILE A 124 5.442 -0.660 -7.871 1.00 0.37 H new ATOM 1667 N GLN A 125 10.278 2.265 -8.271 1.00 0.23 N ATOM 1668 CA GLN A 125 11.400 2.482 -9.215 1.00 0.22 C ATOM 1669 C GLN A 125 12.542 3.207 -8.501 1.00 0.23 C ATOM 1670 O GLN A 125 13.701 2.958 -8.759 1.00 0.35 O ATOM 1671 CB GLN A 125 10.898 3.324 -10.384 1.00 0.25 C ATOM 1672 CG GLN A 125 10.615 2.412 -11.577 1.00 0.39 C ATOM 1673 CD GLN A 125 10.997 3.130 -12.873 1.00 0.47 C ATOM 1674 OE1 GLN A 125 10.480 4.190 -13.167 1.00 0.41 O ATOM 1675 NE2 GLN A 125 11.884 2.595 -13.664 1.00 1.18 N ATOM 0 H GLN A 125 9.565 2.995 -8.268 1.00 0.23 H new ATOM 0 HA GLN A 125 11.769 1.525 -9.582 1.00 0.22 H new ATOM 0 HB2 GLN A 125 9.993 3.861 -10.099 1.00 0.25 H new ATOM 0 HB3 GLN A 125 11.642 4.074 -10.653 1.00 0.25 H new ATOM 0 HG2 GLN A 125 11.181 1.486 -11.482 1.00 0.39 H new ATOM 0 HG3 GLN A 125 9.560 2.140 -11.597 1.00 0.39 H new ATOM 0 HE21 GLN A 125 12.317 1.705 -13.417 1.00 1.18 H new ATOM 0 HE22 GLN A 125 12.145 3.066 -14.530 1.00 1.18 H new ATOM 1684 N PHE A 126 12.227 4.098 -7.601 1.00 0.15 N ATOM 1685 CA PHE A 126 13.305 4.826 -6.872 1.00 0.21 C ATOM 1686 C PHE A 126 14.123 3.829 -6.052 1.00 0.31 C ATOM 1687 O PHE A 126 15.322 3.955 -5.927 1.00 0.44 O ATOM 1688 CB PHE A 126 12.690 5.857 -5.922 1.00 0.13 C ATOM 1689 CG PHE A 126 12.553 7.186 -6.628 1.00 0.17 C ATOM 1690 CD1 PHE A 126 11.928 7.253 -7.879 1.00 0.27 C ATOM 1691 CD2 PHE A 126 13.049 8.351 -6.031 1.00 0.15 C ATOM 1692 CE1 PHE A 126 11.801 8.484 -8.532 1.00 0.35 C ATOM 1693 CE2 PHE A 126 12.922 9.582 -6.685 1.00 0.24 C ATOM 1694 CZ PHE A 126 12.297 9.649 -7.936 1.00 0.34 C ATOM 0 H PHE A 126 11.275 4.353 -7.340 1.00 0.15 H new ATOM 0 HA PHE A 126 13.944 5.332 -7.596 1.00 0.21 H new ATOM 0 HB2 PHE A 126 11.713 5.514 -5.581 1.00 0.13 H new ATOM 0 HB3 PHE A 126 13.316 5.968 -5.037 1.00 0.13 H new ATOM 0 HD1 PHE A 126 11.544 6.355 -8.340 1.00 0.27 H new ATOM 0 HD2 PHE A 126 13.530 8.300 -5.065 1.00 0.15 H new ATOM 0 HE1 PHE A 126 11.319 8.535 -9.497 1.00 0.35 H new ATOM 0 HE2 PHE A 126 13.306 10.480 -6.225 1.00 0.24 H new ATOM 0 HZ PHE A 126 12.198 10.599 -8.441 1.00 0.34 H new ATOM 1704 N LEU A 127 13.479 2.846 -5.481 1.00 0.27 N ATOM 1705 CA LEU A 127 14.214 1.845 -4.650 1.00 0.40 C ATOM 1706 C LEU A 127 14.889 0.802 -5.548 1.00 0.41 C ATOM 1707 O LEU A 127 16.069 0.537 -5.427 1.00 0.68 O ATOM 1708 CB LEU A 127 13.222 1.139 -3.716 1.00 0.44 C ATOM 1709 CG LEU A 127 13.934 0.654 -2.442 1.00 1.44 C ATOM 1710 CD1 LEU A 127 15.181 -0.158 -2.806 1.00 3.26 C ATOM 1711 CD2 LEU A 127 14.342 1.857 -1.587 1.00 0.84 C ATOM 0 H LEU A 127 12.473 2.692 -5.554 1.00 0.27 H new ATOM 0 HA LEU A 127 14.977 2.360 -4.067 1.00 0.40 H new ATOM 0 HB2 LEU A 127 12.414 1.821 -3.451 1.00 0.44 H new ATOM 0 HB3 LEU A 127 12.768 0.292 -4.231 1.00 0.44 H new ATOM 0 HG LEU A 127 13.249 0.020 -1.879 1.00 1.44 H new ATOM 0 HD11 LEU A 127 15.675 -0.495 -1.894 1.00 3.26 H new ATOM 0 HD12 LEU A 127 14.891 -1.023 -3.402 1.00 3.26 H new ATOM 0 HD13 LEU A 127 15.866 0.465 -3.381 1.00 3.26 H new ATOM 0 HD21 LEU A 127 14.846 1.508 -0.686 1.00 0.84 H new ATOM 0 HD22 LEU A 127 15.017 2.496 -2.156 1.00 0.84 H new ATOM 0 HD23 LEU A 127 13.454 2.424 -1.310 1.00 0.84 H new ATOM 1723 N GLN A 128 14.148 0.198 -6.434 1.00 0.14 N ATOM 1724 CA GLN A 128 14.737 -0.840 -7.327 1.00 0.13 C ATOM 1725 C GLN A 128 15.976 -0.285 -8.033 1.00 0.29 C ATOM 1726 O GLN A 128 16.914 -1.004 -8.314 1.00 0.50 O ATOM 1727 CB GLN A 128 13.699 -1.253 -8.375 1.00 0.18 C ATOM 1728 CG GLN A 128 12.930 -2.480 -7.874 1.00 0.73 C ATOM 1729 CD GLN A 128 13.064 -3.628 -8.880 1.00 1.44 C ATOM 1730 OE1 GLN A 128 13.818 -3.542 -9.828 1.00 1.78 O ATOM 1731 NE2 GLN A 128 12.356 -4.711 -8.710 1.00 2.20 N ATOM 0 H GLN A 128 13.155 0.379 -6.579 1.00 0.14 H new ATOM 0 HA GLN A 128 15.025 -1.704 -6.729 1.00 0.13 H new ATOM 0 HB2 GLN A 128 13.009 -0.430 -8.564 1.00 0.18 H new ATOM 0 HB3 GLN A 128 14.191 -1.480 -9.321 1.00 0.18 H new ATOM 0 HG2 GLN A 128 13.316 -2.790 -6.903 1.00 0.73 H new ATOM 0 HG3 GLN A 128 11.879 -2.229 -7.734 1.00 0.73 H new ATOM 0 HE21 GLN A 128 11.722 -4.786 -7.915 1.00 2.20 H new ATOM 0 HE22 GLN A 128 12.437 -5.482 -9.372 1.00 2.20 H new ATOM 1740 N LYS A 129 15.988 0.985 -8.330 1.00 0.25 N ATOM 1741 CA LYS A 129 17.166 1.575 -9.027 1.00 0.46 C ATOM 1742 C LYS A 129 18.203 2.036 -8.000 1.00 0.57 C ATOM 1743 O LYS A 129 19.393 1.959 -8.233 1.00 0.86 O ATOM 1744 CB LYS A 129 16.716 2.770 -9.869 1.00 0.55 C ATOM 1745 CG LYS A 129 16.684 2.368 -11.346 1.00 1.04 C ATOM 1746 CD LYS A 129 15.421 2.930 -12.002 1.00 1.32 C ATOM 1747 CE LYS A 129 15.587 4.436 -12.224 1.00 0.82 C ATOM 1748 NZ LYS A 129 14.251 5.065 -12.445 1.00 1.75 N ATOM 0 H LYS A 129 15.234 1.639 -8.121 1.00 0.25 H new ATOM 0 HA LYS A 129 17.613 0.820 -9.674 1.00 0.46 H new ATOM 0 HB2 LYS A 129 15.728 3.103 -9.550 1.00 0.55 H new ATOM 0 HB3 LYS A 129 17.397 3.609 -9.724 1.00 0.55 H new ATOM 0 HG2 LYS A 129 17.570 2.746 -11.856 1.00 1.04 H new ATOM 0 HG3 LYS A 129 16.702 1.282 -11.439 1.00 1.04 H new ATOM 0 HD2 LYS A 129 15.239 2.429 -12.953 1.00 1.32 H new ATOM 0 HD3 LYS A 129 14.554 2.738 -11.370 1.00 1.32 H new ATOM 0 HE2 LYS A 129 16.074 4.889 -11.360 1.00 0.82 H new ATOM 0 HE3 LYS A 129 16.231 4.617 -13.084 1.00 0.82 H new ATOM 0 HZ1 LYS A 129 14.369 6.087 -12.595 1.00 1.75 H new ATOM 0 HZ2 LYS A 129 13.802 4.642 -13.282 1.00 1.75 H new ATOM 0 HZ3 LYS A 129 13.650 4.905 -11.612 1.00 1.75 H new ATOM 1762 N LYS A 130 17.768 2.515 -6.866 1.00 0.38 N ATOM 1763 CA LYS A 130 18.744 2.977 -5.840 1.00 0.52 C ATOM 1764 C LYS A 130 19.104 1.819 -4.900 1.00 0.71 C ATOM 1765 O LYS A 130 19.700 2.022 -3.861 1.00 0.90 O ATOM 1766 CB LYS A 130 18.149 4.152 -5.041 1.00 0.34 C ATOM 1767 CG LYS A 130 17.136 3.647 -4.007 1.00 0.92 C ATOM 1768 CD LYS A 130 17.782 3.642 -2.620 1.00 0.79 C ATOM 1769 CE LYS A 130 17.702 2.235 -2.024 1.00 1.60 C ATOM 1770 NZ LYS A 130 18.886 1.997 -1.150 1.00 1.79 N ATOM 0 H LYS A 130 16.786 2.606 -6.607 1.00 0.38 H new ATOM 0 HA LYS A 130 19.652 3.317 -6.338 1.00 0.52 H new ATOM 0 HB2 LYS A 130 18.948 4.698 -4.538 1.00 0.34 H new ATOM 0 HB3 LYS A 130 17.664 4.852 -5.721 1.00 0.34 H new ATOM 0 HG2 LYS A 130 16.252 4.285 -4.006 1.00 0.92 H new ATOM 0 HG3 LYS A 130 16.803 2.643 -4.269 1.00 0.92 H new ATOM 0 HD2 LYS A 130 18.822 3.960 -2.691 1.00 0.79 H new ATOM 0 HD3 LYS A 130 17.275 4.354 -1.969 1.00 0.79 H new ATOM 0 HE2 LYS A 130 16.783 2.124 -1.448 1.00 1.60 H new ATOM 0 HE3 LYS A 130 17.670 1.492 -2.821 1.00 1.60 H new ATOM 0 HZ1 LYS A 130 18.743 1.125 -0.602 1.00 1.79 H new ATOM 0 HZ2 LYS A 130 19.738 1.901 -1.738 1.00 1.79 H new ATOM 0 HZ3 LYS A 130 19.004 2.799 -0.499 1.00 1.79 H new ATOM 1784 N ALA A 131 18.751 0.608 -5.247 1.00 0.70 N ATOM 1785 CA ALA A 131 19.085 -0.541 -4.354 1.00 0.90 C ATOM 1786 C ALA A 131 20.510 -1.037 -4.638 1.00 1.15 C ATOM 1787 O ALA A 131 20.770 -2.224 -4.632 1.00 1.30 O ATOM 1788 CB ALA A 131 18.093 -1.685 -4.591 1.00 0.79 C ATOM 0 H ALA A 131 18.250 0.366 -6.102 1.00 0.70 H new ATOM 0 HA ALA A 131 19.022 -0.210 -3.318 1.00 0.90 H new ATOM 0 HB1 ALA A 131 18.340 -2.522 -3.938 1.00 0.79 H new ATOM 0 HB2 ALA A 131 17.082 -1.341 -4.374 1.00 0.79 H new ATOM 0 HB3 ALA A 131 18.151 -2.007 -5.631 1.00 0.79 H new ATOM 1794 N LYS A 132 21.443 -0.148 -4.872 1.00 1.22 N ATOM 1795 CA LYS A 132 22.838 -0.598 -5.133 1.00 1.46 C ATOM 1796 C LYS A 132 23.317 -1.407 -3.929 1.00 1.47 C ATOM 1797 O LYS A 132 22.893 -1.180 -2.814 1.00 1.52 O ATOM 1798 CB LYS A 132 23.745 0.618 -5.330 1.00 1.90 C ATOM 1799 CG LYS A 132 23.439 1.269 -6.680 1.00 4.26 C ATOM 1800 CD LYS A 132 23.620 2.784 -6.570 1.00 4.73 C ATOM 1801 CE LYS A 132 22.591 3.353 -5.591 1.00 5.07 C ATOM 1802 NZ LYS A 132 22.351 4.790 -5.906 1.00 6.17 N ATOM 0 H LYS A 132 21.298 0.861 -4.893 1.00 1.22 H new ATOM 0 HA LYS A 132 22.871 -1.211 -6.034 1.00 1.46 H new ATOM 0 HB2 LYS A 132 23.589 1.336 -4.525 1.00 1.90 H new ATOM 0 HB3 LYS A 132 24.791 0.315 -5.289 1.00 1.90 H new ATOM 0 HG2 LYS A 132 24.101 0.868 -7.447 1.00 4.26 H new ATOM 0 HG3 LYS A 132 22.419 1.035 -6.985 1.00 4.26 H new ATOM 0 HD2 LYS A 132 24.629 3.016 -6.229 1.00 4.73 H new ATOM 0 HD3 LYS A 132 23.500 3.247 -7.549 1.00 4.73 H new ATOM 0 HE2 LYS A 132 21.658 2.793 -5.660 1.00 5.07 H new ATOM 0 HE3 LYS A 132 22.950 3.249 -4.567 1.00 5.07 H new ATOM 0 HZ1 LYS A 132 21.652 5.179 -5.242 1.00 6.17 H new ATOM 0 HZ2 LYS A 132 23.243 5.318 -5.819 1.00 6.17 H new ATOM 0 HZ3 LYS A 132 21.991 4.877 -6.878 1.00 6.17 H new ATOM 1816 N ASN A 133 24.182 -2.361 -4.137 1.00 1.46 N ATOM 1817 CA ASN A 133 24.657 -3.187 -2.990 1.00 1.56 C ATOM 1818 C ASN A 133 23.440 -3.783 -2.285 1.00 1.47 C ATOM 1819 O ASN A 133 23.386 -3.884 -1.075 1.00 1.68 O ATOM 1820 CB ASN A 133 25.447 -2.312 -2.014 1.00 1.89 C ATOM 1821 CG ASN A 133 26.017 -3.181 -0.891 1.00 1.03 C ATOM 1822 OD1 ASN A 133 26.185 -4.373 -1.055 1.00 1.03 O ATOM 1823 ND2 ASN A 133 26.322 -2.630 0.252 1.00 1.32 N ATOM 0 H ASN A 133 24.579 -2.604 -5.045 1.00 1.46 H new ATOM 0 HA ASN A 133 25.307 -3.985 -3.348 1.00 1.56 H new ATOM 0 HB2 ASN A 133 26.255 -1.802 -2.539 1.00 1.89 H new ATOM 0 HB3 ASN A 133 24.801 -1.540 -1.597 1.00 1.89 H new ATOM 0 HD21 ASN A 133 26.702 -3.200 1.008 1.00 1.32 H new ATOM 0 HD22 ASN A 133 26.181 -1.629 0.389 1.00 1.32 H new ATOM 1830 N LEU A 134 22.464 -4.168 -3.052 1.00 1.21 N ATOM 1831 CA LEU A 134 21.225 -4.755 -2.476 1.00 1.21 C ATOM 1832 C LEU A 134 20.584 -5.670 -3.512 1.00 1.02 C ATOM 1833 O LEU A 134 21.224 -6.128 -4.437 1.00 1.02 O ATOM 1834 CB LEU A 134 20.244 -3.634 -2.115 1.00 1.21 C ATOM 1835 CG LEU A 134 19.810 -3.781 -0.655 1.00 1.43 C ATOM 1836 CD1 LEU A 134 20.721 -2.936 0.237 1.00 2.24 C ATOM 1837 CD2 LEU A 134 18.366 -3.300 -0.502 1.00 1.35 C ATOM 0 H LEU A 134 22.471 -4.100 -4.070 1.00 1.21 H new ATOM 0 HA LEU A 134 21.471 -5.322 -1.578 1.00 1.21 H new ATOM 0 HB2 LEU A 134 20.714 -2.663 -2.269 1.00 1.21 H new ATOM 0 HB3 LEU A 134 19.373 -3.674 -2.769 1.00 1.21 H new ATOM 0 HG LEU A 134 19.880 -4.828 -0.360 1.00 1.43 H new ATOM 0 HD11 LEU A 134 20.411 -3.041 1.277 1.00 2.24 H new ATOM 0 HD12 LEU A 134 21.751 -3.275 0.129 1.00 2.24 H new ATOM 0 HD13 LEU A 134 20.650 -1.889 -0.059 1.00 2.24 H new ATOM 0 HD21 LEU A 134 18.056 -3.404 0.538 1.00 1.35 H new ATOM 0 HD22 LEU A 134 18.298 -2.253 -0.798 1.00 1.35 H new ATOM 0 HD23 LEU A 134 17.714 -3.899 -1.137 1.00 1.35 H new ATOM 1849 N ASP A 135 19.323 -5.935 -3.364 1.00 1.00 N ATOM 1850 CA ASP A 135 18.628 -6.818 -4.339 1.00 0.99 C ATOM 1851 C ASP A 135 17.516 -6.033 -5.035 1.00 0.84 C ATOM 1852 O ASP A 135 17.292 -4.872 -4.757 1.00 2.08 O ATOM 1853 CB ASP A 135 18.020 -8.010 -3.600 1.00 1.55 C ATOM 1854 CG ASP A 135 18.809 -9.277 -3.932 1.00 2.11 C ATOM 1855 OD1 ASP A 135 19.978 -9.154 -4.258 1.00 2.36 O ATOM 1856 OD2 ASP A 135 18.231 -10.348 -3.857 1.00 2.82 O ATOM 0 H ASP A 135 18.738 -5.578 -2.608 1.00 1.00 H new ATOM 0 HA ASP A 135 19.343 -7.173 -5.081 1.00 0.99 H new ATOM 0 HB2 ASP A 135 18.036 -7.831 -2.525 1.00 1.55 H new ATOM 0 HB3 ASP A 135 16.976 -8.134 -3.887 1.00 1.55 H new ATOM 1861 N ALA A 136 16.797 -6.671 -5.914 1.00 0.79 N ATOM 1862 CA ALA A 136 15.682 -5.992 -6.604 1.00 0.93 C ATOM 1863 C ALA A 136 14.373 -6.571 -6.091 1.00 0.75 C ATOM 1864 O ALA A 136 13.309 -6.036 -6.328 1.00 1.25 O ATOM 1865 CB ALA A 136 15.785 -6.201 -8.116 1.00 1.40 C ATOM 0 H ALA A 136 16.941 -7.644 -6.182 1.00 0.79 H new ATOM 0 HA ALA A 136 15.724 -4.922 -6.403 1.00 0.93 H new ATOM 0 HB1 ALA A 136 14.956 -5.695 -8.611 1.00 1.40 H new ATOM 0 HB2 ALA A 136 16.728 -5.791 -8.477 1.00 1.40 H new ATOM 0 HB3 ALA A 136 15.744 -7.267 -8.340 1.00 1.40 H new ATOM 1871 N ILE A 137 14.456 -7.656 -5.364 1.00 0.59 N ATOM 1872 CA ILE A 137 13.258 -8.284 -4.781 1.00 0.49 C ATOM 1873 C ILE A 137 12.300 -8.812 -5.859 1.00 0.44 C ATOM 1874 O ILE A 137 11.266 -9.362 -5.540 1.00 0.43 O ATOM 1875 CB ILE A 137 12.590 -7.244 -3.878 1.00 0.51 C ATOM 1876 CG1 ILE A 137 13.444 -7.069 -2.618 1.00 0.78 C ATOM 1877 CG2 ILE A 137 11.187 -7.693 -3.485 1.00 0.51 C ATOM 1878 CD1 ILE A 137 14.752 -6.347 -2.969 1.00 0.64 C ATOM 0 H ILE A 137 15.331 -8.136 -5.152 1.00 0.59 H new ATOM 0 HA ILE A 137 13.542 -9.160 -4.197 1.00 0.49 H new ATOM 0 HB ILE A 137 12.509 -6.300 -4.416 1.00 0.51 H new ATOM 0 HG12 ILE A 137 12.893 -6.498 -1.871 1.00 0.78 H new ATOM 0 HG13 ILE A 137 13.662 -8.042 -2.178 1.00 0.78 H new ATOM 0 HG21 ILE A 137 10.730 -6.940 -2.843 1.00 0.51 H new ATOM 0 HG22 ILE A 137 10.581 -7.821 -4.382 1.00 0.51 H new ATOM 0 HG23 ILE A 137 11.245 -8.640 -2.948 1.00 0.51 H new ATOM 0 HD11 ILE A 137 15.354 -6.226 -2.068 1.00 0.64 H new ATOM 0 HD12 ILE A 137 15.307 -6.935 -3.700 1.00 0.64 H new ATOM 0 HD13 ILE A 137 14.525 -5.367 -3.388 1.00 0.64 H new ATOM 1890 N THR A 138 12.632 -8.686 -7.118 1.00 0.97 N ATOM 1891 CA THR A 138 11.727 -9.207 -8.181 1.00 1.15 C ATOM 1892 C THR A 138 10.280 -8.792 -7.883 1.00 0.76 C ATOM 1893 O THR A 138 10.034 -7.804 -7.219 1.00 0.61 O ATOM 1894 CB THR A 138 11.829 -10.738 -8.225 1.00 1.56 C ATOM 1895 OG1 THR A 138 12.948 -11.161 -7.458 1.00 1.81 O ATOM 1896 CG2 THR A 138 12.000 -11.199 -9.672 1.00 2.00 C ATOM 0 H THR A 138 13.489 -8.246 -7.454 1.00 0.97 H new ATOM 0 HA THR A 138 12.022 -8.793 -9.145 1.00 1.15 H new ATOM 0 HB THR A 138 10.919 -11.173 -7.812 1.00 1.56 H new ATOM 0 HG1 THR A 138 13.012 -12.139 -7.485 1.00 1.81 H new ATOM 0 HG21 THR A 138 12.072 -12.286 -9.701 1.00 2.00 H new ATOM 0 HG22 THR A 138 11.141 -10.876 -10.261 1.00 2.00 H new ATOM 0 HG23 THR A 138 12.909 -10.764 -10.088 1.00 2.00 H new ATOM 1904 N THR A 139 9.325 -9.543 -8.347 1.00 0.63 N ATOM 1905 CA THR A 139 7.909 -9.199 -8.065 1.00 0.43 C ATOM 1906 C THR A 139 7.104 -10.503 -7.921 1.00 0.85 C ATOM 1907 O THR A 139 6.701 -11.085 -8.908 1.00 0.39 O ATOM 1908 CB THR A 139 7.356 -8.352 -9.210 1.00 0.18 C ATOM 1909 OG1 THR A 139 5.996 -8.034 -8.951 1.00 0.74 O ATOM 1910 CG2 THR A 139 7.463 -9.121 -10.527 1.00 0.35 C ATOM 0 H THR A 139 9.465 -10.382 -8.910 1.00 0.63 H new ATOM 0 HA THR A 139 7.834 -8.626 -7.141 1.00 0.43 H new ATOM 0 HB THR A 139 7.936 -7.432 -9.288 1.00 0.18 H new ATOM 0 HG1 THR A 139 5.642 -7.489 -9.685 1.00 0.74 H new ATOM 0 HG21 THR A 139 7.067 -8.510 -11.338 1.00 0.35 H new ATOM 0 HG22 THR A 139 8.508 -9.356 -10.727 1.00 0.35 H new ATOM 0 HG23 THR A 139 6.890 -10.046 -10.456 1.00 0.35 H new ATOM 1958 N THR A 143 1.398 -12.540 -12.162 1.00 2.07 N ATOM 1959 CA THR A 143 0.191 -13.036 -12.882 1.00 1.63 C ATOM 1960 C THR A 143 -0.791 -13.566 -11.839 1.00 1.40 C ATOM 1961 O THR A 143 -1.987 -13.584 -12.048 1.00 1.15 O ATOM 1962 CB THR A 143 0.579 -14.145 -13.869 1.00 1.39 C ATOM 1963 OG1 THR A 143 -0.548 -14.475 -14.669 1.00 1.35 O ATOM 1964 CG2 THR A 143 1.045 -15.387 -13.107 1.00 3.50 C ATOM 0 HA THR A 143 -0.268 -12.230 -13.454 1.00 1.63 H new ATOM 0 HB THR A 143 1.392 -13.792 -14.503 1.00 1.39 H new ATOM 0 HG1 THR A 143 -0.304 -15.182 -15.302 1.00 1.35 H new ATOM 0 HG21 THR A 143 1.318 -16.168 -13.817 1.00 3.50 H new ATOM 0 HG22 THR A 143 1.911 -15.135 -12.494 1.00 3.50 H new ATOM 0 HG23 THR A 143 0.239 -15.745 -12.466 1.00 3.50 H new ATOM 1972 N THR A 144 -0.289 -13.968 -10.700 1.00 1.51 N ATOM 1973 CA THR A 144 -1.187 -14.450 -9.625 1.00 1.37 C ATOM 1974 C THR A 144 -1.951 -13.233 -9.109 1.00 1.22 C ATOM 1975 O THR A 144 -3.089 -13.324 -8.703 1.00 1.05 O ATOM 1976 CB THR A 144 -0.359 -15.070 -8.498 1.00 1.59 C ATOM 1977 OG1 THR A 144 0.505 -16.061 -9.039 1.00 1.83 O ATOM 1978 CG2 THR A 144 -1.290 -15.710 -7.467 1.00 1.57 C ATOM 0 H THR A 144 0.706 -13.981 -10.474 1.00 1.51 H new ATOM 0 HA THR A 144 -1.874 -15.211 -9.995 1.00 1.37 H new ATOM 0 HB THR A 144 0.234 -14.294 -8.014 1.00 1.59 H new ATOM 0 HG1 THR A 144 1.038 -16.459 -8.319 1.00 1.83 H new ATOM 0 HG21 THR A 144 -0.697 -16.151 -6.666 1.00 1.57 H new ATOM 0 HG22 THR A 144 -1.952 -14.949 -7.053 1.00 1.57 H new ATOM 0 HG23 THR A 144 -1.885 -16.487 -7.947 1.00 1.57 H new ATOM 1986 N ASN A 145 -1.326 -12.080 -9.162 1.00 1.28 N ATOM 1987 CA ASN A 145 -2.005 -10.829 -8.724 1.00 1.13 C ATOM 1988 C ASN A 145 -3.167 -10.554 -9.674 1.00 0.95 C ATOM 1989 O ASN A 145 -4.079 -9.822 -9.358 1.00 0.78 O ATOM 1990 CB ASN A 145 -1.022 -9.660 -8.775 1.00 1.20 C ATOM 1991 CG ASN A 145 -0.652 -9.256 -7.350 1.00 1.31 C ATOM 1992 OD1 ASN A 145 0.507 -9.066 -7.040 1.00 1.46 O ATOM 1993 ND2 ASN A 145 -1.598 -9.118 -6.463 1.00 1.24 N ATOM 0 H ASN A 145 -0.369 -11.956 -9.493 1.00 1.28 H new ATOM 0 HA ASN A 145 -2.368 -10.942 -7.702 1.00 1.13 H new ATOM 0 HB2 ASN A 145 -0.128 -9.945 -9.329 1.00 1.20 H new ATOM 0 HB3 ASN A 145 -1.468 -8.816 -9.301 1.00 1.20 H new ATOM 0 HD21 ASN A 145 -1.365 -8.850 -5.507 1.00 1.24 H new ATOM 0 HD22 ASN A 145 -2.571 -9.278 -6.726 1.00 1.24 H new ATOM 2000 N ALA A 146 -3.139 -11.143 -10.841 1.00 1.01 N ATOM 2001 CA ALA A 146 -4.244 -10.939 -11.813 1.00 0.88 C ATOM 2002 C ALA A 146 -5.465 -11.695 -11.306 1.00 0.70 C ATOM 2003 O ALA A 146 -6.593 -11.285 -11.497 1.00 0.54 O ATOM 2004 CB ALA A 146 -3.823 -11.484 -13.180 1.00 1.05 C ATOM 0 H ALA A 146 -2.392 -11.760 -11.161 1.00 1.01 H new ATOM 0 HA ALA A 146 -4.476 -9.879 -11.914 1.00 0.88 H new ATOM 0 HB1 ALA A 146 -4.632 -11.336 -13.896 1.00 1.05 H new ATOM 0 HB2 ALA A 146 -2.933 -10.956 -13.524 1.00 1.05 H new ATOM 0 HB3 ALA A 146 -3.604 -12.548 -13.096 1.00 1.05 H new ATOM 2010 N SER A 147 -5.239 -12.792 -10.640 1.00 0.74 N ATOM 2011 CA SER A 147 -6.373 -13.580 -10.087 1.00 0.62 C ATOM 2012 C SER A 147 -6.777 -12.963 -8.747 1.00 0.62 C ATOM 2013 O SER A 147 -7.919 -13.021 -8.340 1.00 0.64 O ATOM 2014 CB SER A 147 -5.937 -15.031 -9.882 1.00 0.68 C ATOM 2015 OG SER A 147 -7.022 -15.777 -9.347 1.00 1.35 O ATOM 0 H SER A 147 -4.313 -13.178 -10.454 1.00 0.74 H new ATOM 0 HA SER A 147 -7.218 -13.563 -10.775 1.00 0.62 H new ATOM 0 HB2 SER A 147 -5.616 -15.463 -10.830 1.00 0.68 H new ATOM 0 HB3 SER A 147 -5.083 -15.074 -9.206 1.00 0.68 H new ATOM 0 HG SER A 147 -6.746 -16.708 -9.216 1.00 1.35 H new ATOM 2021 N LEU A 148 -5.853 -12.341 -8.070 1.00 0.60 N ATOM 2022 CA LEU A 148 -6.203 -11.690 -6.782 1.00 0.59 C ATOM 2023 C LEU A 148 -6.985 -10.428 -7.120 1.00 0.48 C ATOM 2024 O LEU A 148 -7.805 -9.978 -6.362 1.00 0.60 O ATOM 2025 CB LEU A 148 -4.924 -11.329 -6.006 1.00 0.76 C ATOM 2026 CG LEU A 148 -5.202 -10.221 -4.971 1.00 0.66 C ATOM 2027 CD1 LEU A 148 -6.341 -10.626 -4.031 1.00 0.62 C ATOM 2028 CD2 LEU A 148 -3.949 -9.975 -4.146 1.00 0.80 C ATOM 0 H LEU A 148 -4.877 -12.257 -8.352 1.00 0.60 H new ATOM 0 HA LEU A 148 -6.795 -12.358 -6.156 1.00 0.59 H new ATOM 0 HB2 LEU A 148 -4.538 -12.215 -5.501 1.00 0.76 H new ATOM 0 HB3 LEU A 148 -4.153 -10.997 -6.702 1.00 0.76 H new ATOM 0 HG LEU A 148 -5.489 -9.316 -5.506 1.00 0.66 H new ATOM 0 HD11 LEU A 148 -6.519 -9.828 -3.310 1.00 0.62 H new ATOM 0 HD12 LEU A 148 -7.247 -10.799 -4.611 1.00 0.62 H new ATOM 0 HD13 LEU A 148 -6.069 -11.539 -3.502 1.00 0.62 H new ATOM 0 HD21 LEU A 148 -4.144 -9.192 -3.413 1.00 0.80 H new ATOM 0 HD22 LEU A 148 -3.667 -10.893 -3.630 1.00 0.80 H new ATOM 0 HD23 LEU A 148 -3.136 -9.664 -4.802 1.00 0.80 H new ATOM 2040 N LEU A 149 -6.741 -9.864 -8.264 1.00 0.47 N ATOM 2041 CA LEU A 149 -7.482 -8.647 -8.657 1.00 0.40 C ATOM 2042 C LEU A 149 -8.838 -9.093 -9.178 1.00 0.33 C ATOM 2043 O LEU A 149 -9.849 -8.453 -8.966 1.00 0.24 O ATOM 2044 CB LEU A 149 -6.709 -7.907 -9.754 1.00 0.51 C ATOM 2045 CG LEU A 149 -7.487 -6.665 -10.191 1.00 0.48 C ATOM 2046 CD1 LEU A 149 -7.772 -5.784 -8.975 1.00 0.37 C ATOM 2047 CD2 LEU A 149 -6.653 -5.875 -11.204 1.00 0.58 C ATOM 0 H LEU A 149 -6.058 -10.196 -8.944 1.00 0.47 H new ATOM 0 HA LEU A 149 -7.603 -7.970 -7.811 1.00 0.40 H new ATOM 0 HB2 LEU A 149 -5.724 -7.619 -9.386 1.00 0.51 H new ATOM 0 HB3 LEU A 149 -6.550 -8.566 -10.607 1.00 0.51 H new ATOM 0 HG LEU A 149 -8.429 -6.969 -10.647 1.00 0.48 H new ATOM 0 HD11 LEU A 149 -8.326 -4.899 -9.288 1.00 0.37 H new ATOM 0 HD12 LEU A 149 -8.362 -6.344 -8.250 1.00 0.37 H new ATOM 0 HD13 LEU A 149 -6.831 -5.479 -8.518 1.00 0.37 H new ATOM 0 HD21 LEU A 149 -7.205 -4.989 -11.518 1.00 0.58 H new ATOM 0 HD22 LEU A 149 -5.712 -5.573 -10.744 1.00 0.58 H new ATOM 0 HD23 LEU A 149 -6.447 -6.501 -12.073 1.00 0.58 H new ATOM 2059 N THR A 150 -8.866 -10.223 -9.829 1.00 0.40 N ATOM 2060 CA THR A 150 -10.150 -10.759 -10.336 1.00 0.36 C ATOM 2061 C THR A 150 -10.920 -11.359 -9.142 1.00 0.40 C ATOM 2062 O THR A 150 -12.096 -11.650 -9.231 1.00 0.49 O ATOM 2063 CB THR A 150 -9.860 -11.808 -11.440 1.00 0.28 C ATOM 2064 OG1 THR A 150 -10.869 -11.732 -12.435 1.00 0.40 O ATOM 2065 CG2 THR A 150 -9.814 -13.238 -10.882 1.00 0.59 C ATOM 0 H THR A 150 -8.048 -10.798 -10.030 1.00 0.40 H new ATOM 0 HA THR A 150 -10.765 -9.979 -10.784 1.00 0.36 H new ATOM 0 HB THR A 150 -8.881 -11.581 -11.862 1.00 0.28 H new ATOM 0 HG1 THR A 150 -10.688 -12.393 -13.136 1.00 0.40 H new ATOM 0 HG21 THR A 150 -9.608 -13.938 -11.692 1.00 0.59 H new ATOM 0 HG22 THR A 150 -9.027 -13.310 -10.131 1.00 0.59 H new ATOM 0 HG23 THR A 150 -10.774 -13.482 -10.427 1.00 0.59 H new ATOM 2073 N LYS A 151 -10.254 -11.535 -8.022 1.00 0.36 N ATOM 2074 CA LYS A 151 -10.925 -12.100 -6.821 1.00 0.38 C ATOM 2075 C LYS A 151 -11.499 -10.959 -5.975 1.00 0.39 C ATOM 2076 O LYS A 151 -12.593 -11.057 -5.456 1.00 0.35 O ATOM 2077 CB LYS A 151 -9.909 -12.891 -5.995 1.00 0.38 C ATOM 2078 CG LYS A 151 -10.639 -13.697 -4.919 1.00 0.43 C ATOM 2079 CD LYS A 151 -10.039 -13.375 -3.549 1.00 0.51 C ATOM 2080 CE LYS A 151 -10.378 -11.932 -3.172 1.00 1.05 C ATOM 2081 NZ LYS A 151 -10.498 -11.820 -1.691 1.00 1.61 N ATOM 0 H LYS A 151 -9.268 -11.307 -7.895 1.00 0.36 H new ATOM 0 HA LYS A 151 -11.733 -12.763 -7.131 1.00 0.38 H new ATOM 0 HB2 LYS A 151 -9.341 -13.560 -6.642 1.00 0.38 H new ATOM 0 HB3 LYS A 151 -9.194 -12.211 -5.532 1.00 0.38 H new ATOM 0 HG2 LYS A 151 -11.702 -13.457 -4.928 1.00 0.43 H new ATOM 0 HG3 LYS A 151 -10.551 -14.764 -5.125 1.00 0.43 H new ATOM 0 HD2 LYS A 151 -10.431 -14.060 -2.798 1.00 0.51 H new ATOM 0 HD3 LYS A 151 -8.958 -13.512 -3.572 1.00 0.51 H new ATOM 0 HE2 LYS A 151 -9.603 -11.258 -3.537 1.00 1.05 H new ATOM 0 HE3 LYS A 151 -11.312 -11.631 -3.647 1.00 1.05 H new ATOM 0 HZ1 LYS A 151 -11.485 -11.613 -1.437 1.00 1.61 H new ATOM 0 HZ2 LYS A 151 -10.208 -12.716 -1.250 1.00 1.61 H new ATOM 0 HZ3 LYS A 151 -9.884 -11.053 -1.350 1.00 1.61 H new ATOM 2095 N LEU A 152 -10.788 -9.863 -5.845 1.00 0.43 N ATOM 2096 CA LEU A 152 -11.336 -8.733 -5.051 1.00 0.43 C ATOM 2097 C LEU A 152 -12.541 -8.197 -5.811 1.00 0.39 C ATOM 2098 O LEU A 152 -13.551 -7.840 -5.237 1.00 0.38 O ATOM 2099 CB LEU A 152 -10.302 -7.603 -4.904 1.00 0.47 C ATOM 2100 CG LEU A 152 -8.929 -8.164 -4.525 1.00 0.77 C ATOM 2101 CD1 LEU A 152 -7.843 -7.394 -5.279 1.00 0.70 C ATOM 2102 CD2 LEU A 152 -8.693 -7.994 -3.030 1.00 0.96 C ATOM 0 H LEU A 152 -9.865 -9.709 -6.251 1.00 0.43 H new ATOM 0 HA LEU A 152 -11.601 -9.080 -4.052 1.00 0.43 H new ATOM 0 HB2 LEU A 152 -10.227 -7.049 -5.840 1.00 0.47 H new ATOM 0 HB3 LEU A 152 -10.634 -6.898 -4.142 1.00 0.47 H new ATOM 0 HG LEU A 152 -8.894 -9.222 -4.785 1.00 0.77 H new ATOM 0 HD11 LEU A 152 -6.864 -7.791 -5.012 1.00 0.70 H new ATOM 0 HD12 LEU A 152 -7.998 -7.503 -6.352 1.00 0.70 H new ATOM 0 HD13 LEU A 152 -7.893 -6.339 -5.011 1.00 0.70 H new ATOM 0 HD21 LEU A 152 -7.714 -8.396 -2.768 1.00 0.96 H new ATOM 0 HD22 LEU A 152 -8.731 -6.935 -2.774 1.00 0.96 H new ATOM 0 HD23 LEU A 152 -9.465 -8.529 -2.477 1.00 0.96 H new ATOM 2114 N GLN A 153 -12.432 -8.139 -7.110 1.00 0.37 N ATOM 2115 CA GLN A 153 -13.558 -7.626 -7.926 1.00 0.35 C ATOM 2116 C GLN A 153 -14.623 -8.717 -8.094 1.00 0.33 C ATOM 2117 O GLN A 153 -15.789 -8.432 -8.283 1.00 0.34 O ATOM 2118 CB GLN A 153 -13.042 -7.198 -9.302 1.00 0.36 C ATOM 2119 CG GLN A 153 -12.466 -5.783 -9.215 1.00 0.40 C ATOM 2120 CD GLN A 153 -13.127 -4.894 -10.271 1.00 0.33 C ATOM 2121 OE1 GLN A 153 -13.748 -5.384 -11.193 1.00 0.75 O ATOM 2122 NE2 GLN A 153 -13.019 -3.598 -10.174 1.00 1.19 N ATOM 0 H GLN A 153 -11.608 -8.426 -7.638 1.00 0.37 H new ATOM 0 HA GLN A 153 -14.002 -6.768 -7.421 1.00 0.35 H new ATOM 0 HB2 GLN A 153 -12.276 -7.893 -9.647 1.00 0.36 H new ATOM 0 HB3 GLN A 153 -13.852 -7.228 -10.031 1.00 0.36 H new ATOM 0 HG2 GLN A 153 -12.636 -5.371 -8.220 1.00 0.40 H new ATOM 0 HG3 GLN A 153 -11.387 -5.808 -9.370 1.00 0.40 H new ATOM 0 HE21 GLN A 153 -12.498 -3.186 -9.400 1.00 1.19 H new ATOM 0 HE22 GLN A 153 -13.456 -2.996 -10.872 1.00 1.19 H new ATOM 2131 N ALA A 154 -14.232 -9.962 -8.032 1.00 0.34 N ATOM 2132 CA ALA A 154 -15.226 -11.062 -8.195 1.00 0.35 C ATOM 2133 C ALA A 154 -16.166 -11.087 -6.994 1.00 0.23 C ATOM 2134 O ALA A 154 -17.291 -11.540 -7.081 1.00 0.75 O ATOM 2135 CB ALA A 154 -14.495 -12.404 -8.300 1.00 0.45 C ATOM 0 H ALA A 154 -13.270 -10.264 -7.876 1.00 0.34 H new ATOM 0 HA ALA A 154 -15.804 -10.892 -9.103 1.00 0.35 H new ATOM 0 HB1 ALA A 154 -15.223 -13.207 -8.419 1.00 0.45 H new ATOM 0 HB2 ALA A 154 -13.828 -12.388 -9.162 1.00 0.45 H new ATOM 0 HB3 ALA A 154 -13.913 -12.573 -7.394 1.00 0.45 H new ATOM 2141 N GLN A 155 -15.718 -10.606 -5.874 1.00 0.65 N ATOM 2142 CA GLN A 155 -16.584 -10.603 -4.668 1.00 0.46 C ATOM 2143 C GLN A 155 -17.836 -9.762 -4.938 1.00 0.41 C ATOM 2144 O GLN A 155 -17.932 -9.076 -5.936 1.00 0.59 O ATOM 2145 CB GLN A 155 -15.808 -10.002 -3.502 1.00 0.52 C ATOM 2146 CG GLN A 155 -14.448 -10.692 -3.379 1.00 0.71 C ATOM 2147 CD GLN A 155 -14.354 -11.395 -2.024 1.00 0.76 C ATOM 2148 OE1 GLN A 155 -13.334 -11.154 -1.246 1.00 1.06 O flip ATOM 2149 NE2 GLN A 155 -15.218 -12.173 -1.668 1.00 0.71 N flip ATOM 0 H GLN A 155 -14.786 -10.213 -5.740 1.00 0.65 H new ATOM 0 HA GLN A 155 -16.882 -11.623 -4.426 1.00 0.46 H new ATOM 0 HB2 GLN A 155 -15.671 -8.932 -3.657 1.00 0.52 H new ATOM 0 HB3 GLN A 155 -16.372 -10.121 -2.577 1.00 0.52 H new ATOM 0 HG2 GLN A 155 -14.320 -11.414 -4.185 1.00 0.71 H new ATOM 0 HG3 GLN A 155 -13.646 -9.960 -3.477 1.00 0.71 H new ATOM 0 HE21 GLN A 155 -16.016 -12.362 -2.275 1.00 0.71 H new ATOM 0 HE22 GLN A 155 -15.145 -12.636 -0.762 1.00 0.71 H new ATOM 2158 N ASN A 156 -18.797 -9.810 -4.053 1.00 0.28 N ATOM 2159 CA ASN A 156 -20.042 -9.014 -4.259 1.00 0.46 C ATOM 2160 C ASN A 156 -19.714 -7.523 -4.179 1.00 0.67 C ATOM 2161 O ASN A 156 -18.604 -7.139 -3.879 1.00 0.89 O ATOM 2162 CB ASN A 156 -21.060 -9.366 -3.172 1.00 0.49 C ATOM 2163 CG ASN A 156 -21.278 -10.879 -3.143 1.00 0.43 C ATOM 2164 OD1 ASN A 156 -21.691 -11.465 -4.125 1.00 0.99 O ATOM 2165 ND2 ASN A 156 -21.018 -11.544 -2.050 1.00 0.70 N ATOM 0 H ASN A 156 -18.773 -10.365 -3.198 1.00 0.28 H new ATOM 0 HA ASN A 156 -20.460 -9.244 -5.239 1.00 0.46 H new ATOM 0 HB2 ASN A 156 -20.704 -9.021 -2.201 1.00 0.49 H new ATOM 0 HB3 ASN A 156 -22.004 -8.856 -3.365 1.00 0.49 H new ATOM 0 HD21 ASN A 156 -21.161 -12.553 -2.021 1.00 0.70 H new ATOM 0 HD22 ASN A 156 -20.671 -11.054 -1.225 1.00 0.70 H new ATOM 2172 N GLN A 157 -20.675 -6.679 -4.441 1.00 0.67 N ATOM 2173 CA GLN A 157 -20.418 -5.213 -4.372 1.00 0.85 C ATOM 2174 C GLN A 157 -20.070 -4.833 -2.935 1.00 0.82 C ATOM 2175 O GLN A 157 -19.339 -3.895 -2.688 1.00 0.84 O ATOM 2176 CB GLN A 157 -21.671 -4.453 -4.804 1.00 1.09 C ATOM 2177 CG GLN A 157 -21.389 -2.950 -4.774 1.00 1.33 C ATOM 2178 CD GLN A 157 -21.769 -2.331 -6.120 1.00 1.70 C ATOM 2179 OE1 GLN A 157 -22.697 -2.776 -6.765 1.00 1.48 O ATOM 2180 NE2 GLN A 157 -21.087 -1.315 -6.573 1.00 2.53 N ATOM 0 H GLN A 157 -21.626 -6.942 -4.700 1.00 0.67 H new ATOM 0 HA GLN A 157 -19.591 -4.956 -5.034 1.00 0.85 H new ATOM 0 HB2 GLN A 157 -21.967 -4.759 -5.807 1.00 1.09 H new ATOM 0 HB3 GLN A 157 -22.502 -4.692 -4.140 1.00 1.09 H new ATOM 0 HG2 GLN A 157 -21.957 -2.479 -3.972 1.00 1.33 H new ATOM 0 HG3 GLN A 157 -20.334 -2.772 -4.565 1.00 1.33 H new ATOM 0 HE21 GLN A 157 -20.308 -0.941 -6.031 1.00 2.53 H new ATOM 0 HE22 GLN A 157 -21.333 -0.894 -7.469 1.00 2.53 H new ATOM 2189 N TRP A 158 -20.594 -5.554 -1.984 1.00 0.78 N ATOM 2190 CA TRP A 158 -20.302 -5.240 -0.557 1.00 0.82 C ATOM 2191 C TRP A 158 -18.812 -5.437 -0.283 1.00 0.70 C ATOM 2192 O TRP A 158 -18.124 -4.531 0.137 1.00 0.68 O ATOM 2193 CB TRP A 158 -21.106 -6.179 0.341 1.00 0.84 C ATOM 2194 CG TRP A 158 -20.961 -5.746 1.760 1.00 1.03 C ATOM 2195 CD1 TRP A 158 -19.994 -6.169 2.605 1.00 0.79 C ATOM 2196 CD2 TRP A 158 -21.788 -4.815 2.514 1.00 1.53 C ATOM 2197 NE1 TRP A 158 -20.174 -5.555 3.830 1.00 1.13 N ATOM 2198 CE2 TRP A 158 -21.267 -4.710 3.823 1.00 1.59 C ATOM 2199 CE3 TRP A 158 -22.927 -4.056 2.189 1.00 1.96 C ATOM 2200 CZ2 TRP A 158 -21.855 -3.885 4.781 1.00 2.05 C ATOM 2201 CZ3 TRP A 158 -23.523 -3.224 3.149 1.00 2.41 C ATOM 2202 CH2 TRP A 158 -22.987 -3.136 4.443 1.00 2.46 C ATOM 0 H TRP A 158 -21.214 -6.350 -2.134 1.00 0.78 H new ATOM 0 HA TRP A 158 -20.576 -4.206 -0.350 1.00 0.82 H new ATOM 0 HB2 TRP A 158 -22.157 -6.168 0.051 1.00 0.84 H new ATOM 0 HB3 TRP A 158 -20.754 -7.204 0.223 1.00 0.84 H new ATOM 0 HD1 TRP A 158 -19.210 -6.871 2.363 1.00 0.79 H new ATOM 0 HE1 TRP A 158 -19.573 -5.707 4.640 1.00 1.13 H new ATOM 0 HE3 TRP A 158 -23.345 -4.114 1.195 1.00 1.96 H new ATOM 0 HZ2 TRP A 158 -21.440 -3.825 5.776 1.00 2.05 H new ATOM 0 HZ3 TRP A 158 -24.399 -2.648 2.891 1.00 2.41 H new ATOM 0 HH2 TRP A 158 -23.448 -2.491 5.177 1.00 2.46 H new ATOM 2213 N LEU A 159 -18.310 -6.618 -0.514 1.00 0.64 N ATOM 2214 CA LEU A 159 -16.864 -6.874 -0.263 1.00 0.55 C ATOM 2215 C LEU A 159 -16.016 -6.081 -1.261 1.00 0.51 C ATOM 2216 O LEU A 159 -14.844 -5.850 -1.044 1.00 0.48 O ATOM 2217 CB LEU A 159 -16.582 -8.367 -0.424 1.00 0.42 C ATOM 2218 CG LEU A 159 -17.576 -9.165 0.421 1.00 0.84 C ATOM 2219 CD1 LEU A 159 -18.666 -9.746 -0.481 1.00 1.96 C ATOM 2220 CD2 LEU A 159 -16.841 -10.305 1.130 1.00 0.97 C ATOM 0 H LEU A 159 -18.838 -7.417 -0.866 1.00 0.64 H new ATOM 0 HA LEU A 159 -16.610 -6.560 0.749 1.00 0.55 H new ATOM 0 HB2 LEU A 159 -16.667 -8.653 -1.472 1.00 0.42 H new ATOM 0 HB3 LEU A 159 -15.561 -8.591 -0.114 1.00 0.42 H new ATOM 0 HG LEU A 159 -18.031 -8.507 1.162 1.00 0.84 H new ATOM 0 HD11 LEU A 159 -19.373 -10.314 0.123 1.00 1.96 H new ATOM 0 HD12 LEU A 159 -19.190 -8.935 -0.987 1.00 1.96 H new ATOM 0 HD13 LEU A 159 -18.212 -10.403 -1.223 1.00 1.96 H new ATOM 0 HD21 LEU A 159 -17.548 -10.875 1.733 1.00 0.97 H new ATOM 0 HD22 LEU A 159 -16.385 -10.961 0.388 1.00 0.97 H new ATOM 0 HD23 LEU A 159 -16.065 -9.892 1.775 1.00 0.97 H new ATOM 2232 N GLN A 160 -16.597 -5.655 -2.350 1.00 0.55 N ATOM 2233 CA GLN A 160 -15.817 -4.874 -3.348 1.00 0.58 C ATOM 2234 C GLN A 160 -15.570 -3.474 -2.791 1.00 0.71 C ATOM 2235 O GLN A 160 -14.524 -2.890 -2.990 1.00 0.78 O ATOM 2236 CB GLN A 160 -16.606 -4.772 -4.656 1.00 0.67 C ATOM 2237 CG GLN A 160 -15.915 -5.606 -5.737 1.00 1.23 C ATOM 2238 CD GLN A 160 -16.181 -4.985 -7.111 1.00 1.43 C ATOM 2239 OE1 GLN A 160 -15.942 -3.716 -7.297 1.00 2.23 O flip ATOM 2240 NE2 GLN A 160 -16.611 -5.662 -8.024 1.00 1.39 N flip ATOM 0 H GLN A 160 -17.576 -5.814 -2.590 1.00 0.55 H new ATOM 0 HA GLN A 160 -14.867 -5.371 -3.544 1.00 0.58 H new ATOM 0 HB2 GLN A 160 -17.626 -5.126 -4.506 1.00 0.67 H new ATOM 0 HB3 GLN A 160 -16.673 -3.731 -4.972 1.00 0.67 H new ATOM 0 HG2 GLN A 160 -14.842 -5.649 -5.547 1.00 1.23 H new ATOM 0 HG3 GLN A 160 -16.285 -6.631 -5.712 1.00 1.23 H new ATOM 0 HE21 GLN A 160 -16.798 -6.654 -7.879 1.00 1.39 H new ATOM 0 HE22 GLN A 160 -16.785 -5.238 -8.935 1.00 1.39 H new ATOM 2249 N ASP A 161 -16.523 -2.937 -2.083 1.00 0.75 N ATOM 2250 CA ASP A 161 -16.343 -1.581 -1.501 1.00 0.89 C ATOM 2251 C ASP A 161 -15.515 -1.700 -0.222 1.00 0.74 C ATOM 2252 O ASP A 161 -14.783 -0.802 0.143 1.00 0.71 O ATOM 2253 CB ASP A 161 -17.708 -0.974 -1.178 1.00 1.19 C ATOM 2254 CG ASP A 161 -17.567 0.543 -1.050 1.00 1.54 C ATOM 2255 OD1 ASP A 161 -16.900 0.980 -0.129 1.00 0.65 O ATOM 2256 OD2 ASP A 161 -18.128 1.242 -1.879 1.00 2.79 O ATOM 0 H ASP A 161 -17.420 -3.380 -1.883 1.00 0.75 H new ATOM 0 HA ASP A 161 -15.830 -0.937 -2.215 1.00 0.89 H new ATOM 0 HB2 ASP A 161 -18.423 -1.220 -1.963 1.00 1.19 H new ATOM 0 HB3 ASP A 161 -18.096 -1.395 -0.250 1.00 1.19 H new ATOM 2261 N MET A 162 -15.613 -2.813 0.454 1.00 0.70 N ATOM 2262 CA MET A 162 -14.818 -3.004 1.698 1.00 0.69 C ATOM 2263 C MET A 162 -13.343 -3.165 1.300 1.00 0.48 C ATOM 2264 O MET A 162 -12.449 -2.879 2.065 1.00 0.36 O ATOM 2265 CB MET A 162 -15.362 -4.243 2.463 1.00 0.80 C ATOM 2266 CG MET A 162 -14.364 -5.417 2.476 1.00 0.81 C ATOM 2267 SD MET A 162 -13.085 -5.108 3.723 1.00 0.91 S ATOM 2268 CE MET A 162 -11.644 -5.355 2.654 1.00 0.54 C ATOM 0 H MET A 162 -16.211 -3.599 0.197 1.00 0.70 H new ATOM 0 HA MET A 162 -14.902 -2.147 2.366 1.00 0.69 H new ATOM 0 HB2 MET A 162 -15.595 -3.958 3.489 1.00 0.80 H new ATOM 0 HB3 MET A 162 -16.295 -4.569 2.003 1.00 0.80 H new ATOM 0 HG2 MET A 162 -14.885 -6.349 2.697 1.00 0.81 H new ATOM 0 HG3 MET A 162 -13.908 -5.532 1.493 1.00 0.81 H new ATOM 0 HE1 MET A 162 -10.895 -5.943 3.184 1.00 0.54 H new ATOM 0 HE2 MET A 162 -11.948 -5.883 1.750 1.00 0.54 H new ATOM 0 HE3 MET A 162 -11.221 -4.387 2.384 1.00 0.54 H new ATOM 2278 N THR A 163 -13.097 -3.630 0.104 1.00 0.52 N ATOM 2279 CA THR A 163 -11.694 -3.821 -0.355 1.00 0.37 C ATOM 2280 C THR A 163 -10.941 -2.488 -0.303 1.00 0.33 C ATOM 2281 O THR A 163 -9.764 -2.452 -0.022 1.00 0.30 O ATOM 2282 CB THR A 163 -11.700 -4.360 -1.786 1.00 0.30 C ATOM 2283 OG1 THR A 163 -12.354 -5.621 -1.810 1.00 0.28 O ATOM 2284 CG2 THR A 163 -10.262 -4.523 -2.282 1.00 0.35 C ATOM 0 H THR A 163 -13.812 -3.886 -0.576 1.00 0.52 H new ATOM 0 HA THR A 163 -11.192 -4.534 0.300 1.00 0.37 H new ATOM 0 HB THR A 163 -12.227 -3.660 -2.434 1.00 0.30 H new ATOM 0 HG1 THR A 163 -13.324 -5.486 -1.837 1.00 0.28 H new ATOM 0 HG21 THR A 163 -10.270 -4.907 -3.302 1.00 0.35 H new ATOM 0 HG22 THR A 163 -9.759 -3.556 -2.262 1.00 0.35 H new ATOM 0 HG23 THR A 163 -9.731 -5.222 -1.635 1.00 0.35 H new ATOM 2292 N THR A 164 -11.601 -1.390 -0.562 1.00 0.44 N ATOM 2293 CA THR A 164 -10.888 -0.080 -0.504 1.00 0.43 C ATOM 2294 C THR A 164 -10.563 0.237 0.959 1.00 0.38 C ATOM 2295 O THR A 164 -9.608 0.922 1.263 1.00 0.47 O ATOM 2296 CB THR A 164 -11.765 1.027 -1.100 1.00 0.52 C ATOM 2297 OG1 THR A 164 -11.043 2.251 -1.097 1.00 2.10 O ATOM 2298 CG2 THR A 164 -13.043 1.190 -0.275 1.00 1.57 C ATOM 0 H THR A 164 -12.590 -1.342 -0.808 1.00 0.44 H new ATOM 0 HA THR A 164 -9.967 -0.137 -1.084 1.00 0.43 H new ATOM 0 HB THR A 164 -12.034 0.757 -2.121 1.00 0.52 H new ATOM 0 HG1 THR A 164 -11.601 2.961 -1.479 1.00 2.10 H new ATOM 0 HG21 THR A 164 -13.658 1.979 -0.708 1.00 1.57 H new ATOM 0 HG22 THR A 164 -13.600 0.253 -0.278 1.00 1.57 H new ATOM 0 HG23 THR A 164 -12.783 1.454 0.750 1.00 1.57 H new ATOM 2306 N HIS A 165 -11.354 -0.271 1.864 1.00 0.25 N ATOM 2307 CA HIS A 165 -11.110 -0.024 3.314 1.00 0.23 C ATOM 2308 C HIS A 165 -9.839 -0.760 3.766 1.00 0.25 C ATOM 2309 O HIS A 165 -8.894 -0.150 4.223 1.00 0.39 O ATOM 2310 CB HIS A 165 -12.323 -0.537 4.113 1.00 0.17 C ATOM 2311 CG HIS A 165 -11.998 -0.623 5.584 1.00 0.32 C ATOM 2312 ND1 HIS A 165 -11.496 -1.781 6.153 1.00 0.47 N ATOM 2313 CD2 HIS A 165 -12.094 0.287 6.605 1.00 0.65 C ATOM 2314 CE1 HIS A 165 -11.310 -1.543 7.462 1.00 0.62 C ATOM 2315 NE2 HIS A 165 -11.659 -0.296 7.793 1.00 0.71 N ATOM 0 H HIS A 165 -12.167 -0.852 1.659 1.00 0.25 H new ATOM 0 HA HIS A 165 -10.975 1.043 3.488 1.00 0.23 H new ATOM 0 HB2 HIS A 165 -13.172 0.130 3.962 1.00 0.17 H new ATOM 0 HB3 HIS A 165 -12.619 -1.519 3.743 1.00 0.17 H new ATOM 0 HD2 HIS A 165 -12.452 1.301 6.504 1.00 0.65 H new ATOM 0 HE1 HIS A 165 -10.925 -2.270 8.161 1.00 0.62 H new ATOM 0 HE2 HIS A 165 -11.616 0.136 8.716 1.00 0.71 H new ATOM 2323 N LEU A 166 -9.820 -2.064 3.670 1.00 0.18 N ATOM 2324 CA LEU A 166 -8.619 -2.824 4.128 1.00 0.28 C ATOM 2325 C LEU A 166 -7.384 -2.413 3.323 1.00 0.33 C ATOM 2326 O LEU A 166 -6.303 -2.303 3.867 1.00 0.38 O ATOM 2327 CB LEU A 166 -8.859 -4.327 3.976 1.00 0.37 C ATOM 2328 CG LEU A 166 -8.053 -5.083 5.038 1.00 0.41 C ATOM 2329 CD1 LEU A 166 -6.570 -4.737 4.906 1.00 0.79 C ATOM 2330 CD2 LEU A 166 -8.548 -4.684 6.430 1.00 1.38 C ATOM 0 H LEU A 166 -10.580 -2.633 3.296 1.00 0.18 H new ATOM 0 HA LEU A 166 -8.445 -2.593 5.179 1.00 0.28 H new ATOM 0 HB2 LEU A 166 -9.921 -4.549 4.083 1.00 0.37 H new ATOM 0 HB3 LEU A 166 -8.564 -4.654 2.979 1.00 0.37 H new ATOM 0 HG LEU A 166 -8.185 -6.156 4.895 1.00 0.41 H new ATOM 0 HD11 LEU A 166 -6.002 -5.277 5.663 1.00 0.79 H new ATOM 0 HD12 LEU A 166 -6.217 -5.022 3.915 1.00 0.79 H new ATOM 0 HD13 LEU A 166 -6.433 -3.665 5.045 1.00 0.79 H new ATOM 0 HD21 LEU A 166 -7.976 -5.221 7.187 1.00 1.38 H new ATOM 0 HD22 LEU A 166 -8.417 -3.611 6.569 1.00 1.38 H new ATOM 0 HD23 LEU A 166 -9.604 -4.936 6.527 1.00 1.38 H new ATOM 2342 N ILE A 167 -7.511 -2.170 2.042 1.00 0.33 N ATOM 2343 CA ILE A 167 -6.304 -1.755 1.268 1.00 0.39 C ATOM 2344 C ILE A 167 -5.773 -0.469 1.893 1.00 0.40 C ATOM 2345 O ILE A 167 -4.614 -0.362 2.234 1.00 0.46 O ATOM 2346 CB ILE A 167 -6.644 -1.504 -0.207 1.00 0.37 C ATOM 2347 CG1 ILE A 167 -7.053 -2.818 -0.872 1.00 0.36 C ATOM 2348 CG2 ILE A 167 -5.406 -0.947 -0.928 1.00 0.41 C ATOM 2349 CD1 ILE A 167 -7.634 -2.525 -2.257 1.00 0.32 C ATOM 0 H ILE A 167 -8.378 -2.239 1.509 1.00 0.33 H new ATOM 0 HA ILE A 167 -5.560 -2.550 1.304 1.00 0.39 H new ATOM 0 HB ILE A 167 -7.465 -0.790 -0.269 1.00 0.37 H new ATOM 0 HG12 ILE A 167 -6.190 -3.479 -0.959 1.00 0.36 H new ATOM 0 HG13 ILE A 167 -7.790 -3.336 -0.258 1.00 0.36 H new ATOM 0 HG21 ILE A 167 -5.645 -0.768 -1.976 1.00 0.41 H new ATOM 0 HG22 ILE A 167 -5.103 -0.010 -0.460 1.00 0.41 H new ATOM 0 HG23 ILE A 167 -4.591 -1.667 -0.860 1.00 0.41 H new ATOM 0 HD11 ILE A 167 -7.927 -3.460 -2.734 1.00 0.32 H new ATOM 0 HD12 ILE A 167 -8.507 -1.880 -2.156 1.00 0.32 H new ATOM 0 HD13 ILE A 167 -6.883 -2.025 -2.869 1.00 0.32 H new ATOM 2361 N LEU A 168 -6.626 0.503 2.061 1.00 0.36 N ATOM 2362 CA LEU A 168 -6.186 1.781 2.684 1.00 0.37 C ATOM 2363 C LEU A 168 -5.729 1.506 4.121 1.00 0.41 C ATOM 2364 O LEU A 168 -5.000 2.280 4.708 1.00 0.44 O ATOM 2365 CB LEU A 168 -7.354 2.770 2.698 1.00 0.35 C ATOM 2366 CG LEU A 168 -7.815 3.041 1.264 1.00 0.29 C ATOM 2367 CD1 LEU A 168 -9.194 3.701 1.285 1.00 0.26 C ATOM 2368 CD2 LEU A 168 -6.820 3.977 0.574 1.00 0.76 C ATOM 0 H LEU A 168 -7.610 0.467 1.793 1.00 0.36 H new ATOM 0 HA LEU A 168 -5.361 2.206 2.112 1.00 0.37 H new ATOM 0 HB2 LEU A 168 -8.179 2.366 3.286 1.00 0.35 H new ATOM 0 HB3 LEU A 168 -7.049 3.702 3.175 1.00 0.35 H new ATOM 0 HG LEU A 168 -7.869 2.098 0.720 1.00 0.29 H new ATOM 0 HD11 LEU A 168 -9.521 3.893 0.263 1.00 0.26 H new ATOM 0 HD12 LEU A 168 -9.907 3.038 1.775 1.00 0.26 H new ATOM 0 HD13 LEU A 168 -9.138 4.642 1.831 1.00 0.26 H new ATOM 0 HD21 LEU A 168 -7.149 4.169 -0.447 1.00 0.76 H new ATOM 0 HD22 LEU A 168 -6.766 4.918 1.121 1.00 0.76 H new ATOM 0 HD23 LEU A 168 -5.835 3.511 0.556 1.00 0.76 H new ATOM 2380 N ARG A 169 -6.149 0.405 4.693 1.00 0.41 N ATOM 2381 CA ARG A 169 -5.737 0.080 6.089 1.00 0.45 C ATOM 2382 C ARG A 169 -4.269 -0.354 6.095 1.00 0.43 C ATOM 2383 O ARG A 169 -3.524 -0.031 6.998 1.00 0.40 O ATOM 2384 CB ARG A 169 -6.609 -1.054 6.635 1.00 0.48 C ATOM 2385 CG ARG A 169 -6.154 -1.419 8.051 1.00 1.15 C ATOM 2386 CD ARG A 169 -6.520 -0.289 9.016 1.00 0.89 C ATOM 2387 NE ARG A 169 -6.473 -0.795 10.417 1.00 0.79 N ATOM 2388 CZ ARG A 169 -7.173 -1.843 10.756 1.00 0.47 C ATOM 2389 NH1 ARG A 169 -8.324 -2.072 10.187 1.00 1.63 N ATOM 2390 NH2 ARG A 169 -6.723 -2.662 11.668 1.00 1.20 N ATOM 0 H ARG A 169 -6.760 -0.282 4.251 1.00 0.41 H new ATOM 0 HA ARG A 169 -5.861 0.961 6.718 1.00 0.45 H new ATOM 0 HB2 ARG A 169 -7.655 -0.748 6.646 1.00 0.48 H new ATOM 0 HB3 ARG A 169 -6.539 -1.925 5.984 1.00 0.48 H new ATOM 0 HG2 ARG A 169 -6.627 -2.348 8.367 1.00 1.15 H new ATOM 0 HG3 ARG A 169 -5.077 -1.589 8.065 1.00 1.15 H new ATOM 0 HD2 ARG A 169 -5.828 0.544 8.896 1.00 0.89 H new ATOM 0 HD3 ARG A 169 -7.517 0.089 8.788 1.00 0.89 H new ATOM 0 HE ARG A 169 -5.894 -0.322 11.111 1.00 0.79 H new ATOM 0 HH11 ARG A 169 -8.678 -1.432 9.476 1.00 1.63 H new ATOM 0 HH12 ARG A 169 -8.870 -2.891 10.453 1.00 1.63 H new ATOM 0 HH21 ARG A 169 -5.824 -2.483 12.116 1.00 1.20 H new ATOM 0 HH22 ARG A 169 -7.270 -3.481 11.933 1.00 1.20 H new ATOM 2404 N SER A 170 -3.838 -1.068 5.088 1.00 0.44 N ATOM 2405 CA SER A 170 -2.420 -1.491 5.045 1.00 0.42 C ATOM 2406 C SER A 170 -1.584 -0.269 4.696 1.00 0.40 C ATOM 2407 O SER A 170 -0.601 0.024 5.326 1.00 0.41 O ATOM 2408 CB SER A 170 -2.230 -2.571 3.978 1.00 0.37 C ATOM 2409 OG SER A 170 -1.749 -3.759 4.592 1.00 0.61 O ATOM 0 H SER A 170 -4.409 -1.372 4.300 1.00 0.44 H new ATOM 0 HA SER A 170 -2.115 -1.902 6.008 1.00 0.42 H new ATOM 0 HB2 SER A 170 -3.175 -2.767 3.471 1.00 0.37 H new ATOM 0 HB3 SER A 170 -1.526 -2.229 3.220 1.00 0.37 H new ATOM 0 HG SER A 170 -1.477 -4.398 3.900 1.00 0.61 H new ATOM 2415 N PHE A 171 -1.985 0.470 3.706 1.00 0.38 N ATOM 2416 CA PHE A 171 -1.211 1.684 3.342 1.00 0.38 C ATOM 2417 C PHE A 171 -1.034 2.554 4.589 1.00 0.45 C ATOM 2418 O PHE A 171 0.019 3.095 4.829 1.00 0.40 O ATOM 2419 CB PHE A 171 -1.955 2.457 2.253 1.00 0.36 C ATOM 2420 CG PHE A 171 -1.605 1.860 0.911 1.00 0.33 C ATOM 2421 CD1 PHE A 171 -1.975 0.542 0.613 1.00 0.67 C ATOM 2422 CD2 PHE A 171 -0.896 2.616 -0.028 1.00 0.37 C ATOM 2423 CE1 PHE A 171 -1.637 -0.018 -0.623 1.00 0.64 C ATOM 2424 CE2 PHE A 171 -0.560 2.056 -1.265 1.00 0.37 C ATOM 2425 CZ PHE A 171 -0.928 0.739 -1.563 1.00 0.28 C ATOM 0 H PHE A 171 -2.811 0.288 3.135 1.00 0.38 H new ATOM 0 HA PHE A 171 -0.230 1.402 2.960 1.00 0.38 H new ATOM 0 HB2 PHE A 171 -3.031 2.405 2.421 1.00 0.36 H new ATOM 0 HB3 PHE A 171 -1.678 3.511 2.282 1.00 0.36 H new ATOM 0 HD1 PHE A 171 -2.522 -0.042 1.339 1.00 0.67 H new ATOM 0 HD2 PHE A 171 -0.608 3.631 0.202 1.00 0.37 H new ATOM 0 HE1 PHE A 171 -1.923 -1.034 -0.852 1.00 0.64 H new ATOM 0 HE2 PHE A 171 -0.016 2.641 -1.991 1.00 0.37 H new ATOM 0 HZ PHE A 171 -0.665 0.307 -2.517 1.00 0.28 H new ATOM 2435 N LYS A 172 -2.049 2.663 5.403 1.00 0.58 N ATOM 2436 CA LYS A 172 -1.914 3.478 6.643 1.00 0.65 C ATOM 2437 C LYS A 172 -0.800 2.887 7.515 1.00 0.60 C ATOM 2438 O LYS A 172 0.221 3.507 7.740 1.00 0.57 O ATOM 2439 CB LYS A 172 -3.236 3.462 7.419 1.00 0.77 C ATOM 2440 CG LYS A 172 -3.553 4.872 7.925 1.00 0.86 C ATOM 2441 CD LYS A 172 -4.752 5.435 7.158 1.00 1.41 C ATOM 2442 CE LYS A 172 -5.069 6.847 7.658 1.00 0.92 C ATOM 2443 NZ LYS A 172 -4.223 7.837 6.932 1.00 0.59 N ATOM 0 H LYS A 172 -2.960 2.226 5.264 1.00 0.58 H new ATOM 0 HA LYS A 172 -1.667 4.506 6.378 1.00 0.65 H new ATOM 0 HB2 LYS A 172 -4.042 3.106 6.777 1.00 0.77 H new ATOM 0 HB3 LYS A 172 -3.168 2.770 8.259 1.00 0.77 H new ATOM 0 HG2 LYS A 172 -3.771 4.846 8.993 1.00 0.86 H new ATOM 0 HG3 LYS A 172 -2.687 5.520 7.793 1.00 0.86 H new ATOM 0 HD2 LYS A 172 -4.535 5.457 6.090 1.00 1.41 H new ATOM 0 HD3 LYS A 172 -5.619 4.788 7.293 1.00 1.41 H new ATOM 0 HE2 LYS A 172 -6.124 7.071 7.501 1.00 0.92 H new ATOM 0 HE3 LYS A 172 -4.885 6.914 8.730 1.00 0.92 H new ATOM 0 HZ1 LYS A 172 -4.440 8.795 7.273 1.00 0.59 H new ATOM 0 HZ2 LYS A 172 -3.219 7.627 7.103 1.00 0.59 H new ATOM 0 HZ3 LYS A 172 -4.419 7.780 5.912 1.00 0.59 H new ATOM 2457 N GLU A 173 -0.986 1.688 8.003 1.00 0.60 N ATOM 2458 CA GLU A 173 0.062 1.055 8.858 1.00 0.57 C ATOM 2459 C GLU A 173 1.271 0.670 7.995 1.00 0.44 C ATOM 2460 O GLU A 173 2.331 1.233 8.127 1.00 0.39 O ATOM 2461 CB GLU A 173 -0.516 -0.195 9.524 1.00 0.63 C ATOM 2462 CG GLU A 173 0.243 -0.480 10.822 1.00 1.36 C ATOM 2463 CD GLU A 173 -0.694 -1.157 11.822 1.00 1.30 C ATOM 2464 OE1 GLU A 173 -1.741 -0.594 12.098 1.00 1.28 O ATOM 2465 OE2 GLU A 173 -0.350 -2.228 12.293 1.00 2.45 O ATOM 0 H GLU A 173 -1.818 1.120 7.846 1.00 0.60 H new ATOM 0 HA GLU A 173 0.382 1.761 9.625 1.00 0.57 H new ATOM 0 HB2 GLU A 173 -1.576 -0.051 9.734 1.00 0.63 H new ATOM 0 HB3 GLU A 173 -0.438 -1.048 8.850 1.00 0.63 H new ATOM 0 HG2 GLU A 173 1.102 -1.121 10.621 1.00 1.36 H new ATOM 0 HG3 GLU A 173 0.630 0.449 11.241 1.00 1.36 H new ATOM 2472 N PHE A 174 1.103 -0.294 7.121 1.00 0.40 N ATOM 2473 CA PHE A 174 2.217 -0.760 6.218 1.00 0.29 C ATOM 2474 C PHE A 174 3.156 0.398 5.823 1.00 0.21 C ATOM 2475 O PHE A 174 4.333 0.381 6.135 1.00 0.16 O ATOM 2476 CB PHE A 174 1.600 -1.355 4.946 1.00 0.22 C ATOM 2477 CG PHE A 174 2.484 -2.444 4.395 1.00 0.25 C ATOM 2478 CD1 PHE A 174 2.543 -3.688 5.034 1.00 1.68 C ATOM 2479 CD2 PHE A 174 3.241 -2.210 3.243 1.00 1.55 C ATOM 2480 CE1 PHE A 174 3.362 -4.700 4.516 1.00 1.68 C ATOM 2481 CE2 PHE A 174 4.060 -3.221 2.725 1.00 1.57 C ATOM 2482 CZ PHE A 174 4.121 -4.467 3.363 1.00 0.33 C ATOM 0 H PHE A 174 0.222 -0.791 6.989 1.00 0.40 H new ATOM 0 HA PHE A 174 2.806 -1.503 6.756 1.00 0.29 H new ATOM 0 HB2 PHE A 174 0.611 -1.757 5.167 1.00 0.22 H new ATOM 0 HB3 PHE A 174 1.466 -0.573 4.199 1.00 0.22 H new ATOM 0 HD1 PHE A 174 1.959 -3.867 5.924 1.00 1.68 H new ATOM 0 HD2 PHE A 174 3.194 -1.249 2.752 1.00 1.55 H new ATOM 0 HE1 PHE A 174 3.408 -5.661 5.007 1.00 1.68 H new ATOM 0 HE2 PHE A 174 4.644 -3.040 1.835 1.00 1.57 H new ATOM 0 HZ PHE A 174 4.753 -5.247 2.965 1.00 0.33 H new ATOM 2492 N LEU A 175 2.660 1.400 5.140 1.00 0.22 N ATOM 2493 CA LEU A 175 3.554 2.530 4.741 1.00 0.25 C ATOM 2494 C LEU A 175 4.097 3.222 5.991 1.00 0.32 C ATOM 2495 O LEU A 175 5.240 3.619 6.035 1.00 0.34 O ATOM 2496 CB LEU A 175 2.780 3.545 3.897 1.00 0.30 C ATOM 2497 CG LEU A 175 2.382 2.910 2.561 1.00 0.28 C ATOM 2498 CD1 LEU A 175 1.223 3.691 1.945 1.00 0.27 C ATOM 2499 CD2 LEU A 175 3.571 2.952 1.600 1.00 0.28 C ATOM 0 H LEU A 175 1.687 1.484 4.845 1.00 0.22 H new ATOM 0 HA LEU A 175 4.381 2.132 4.152 1.00 0.25 H new ATOM 0 HB2 LEU A 175 1.890 3.875 4.433 1.00 0.30 H new ATOM 0 HB3 LEU A 175 3.393 4.429 3.722 1.00 0.30 H new ATOM 0 HG LEU A 175 2.080 1.877 2.734 1.00 0.28 H new ATOM 0 HD11 LEU A 175 0.942 3.237 0.995 1.00 0.27 H new ATOM 0 HD12 LEU A 175 0.370 3.671 2.623 1.00 0.27 H new ATOM 0 HD13 LEU A 175 1.529 4.724 1.777 1.00 0.27 H new ATOM 0 HD21 LEU A 175 3.287 2.500 0.650 1.00 0.28 H new ATOM 0 HD22 LEU A 175 3.869 3.987 1.435 1.00 0.28 H new ATOM 0 HD23 LEU A 175 4.406 2.399 2.030 1.00 0.28 H new ATOM 2511 N GLN A 176 3.294 3.377 7.012 1.00 0.39 N ATOM 2512 CA GLN A 176 3.789 4.050 8.253 1.00 0.45 C ATOM 2513 C GLN A 176 5.105 3.402 8.699 1.00 0.30 C ATOM 2514 O GLN A 176 6.132 4.047 8.770 1.00 0.20 O ATOM 2515 CB GLN A 176 2.748 3.911 9.366 1.00 0.56 C ATOM 2516 CG GLN A 176 1.992 5.232 9.526 1.00 0.74 C ATOM 2517 CD GLN A 176 1.080 5.153 10.751 1.00 1.32 C ATOM 2518 OE1 GLN A 176 -0.107 5.393 10.656 1.00 2.12 O ATOM 2519 NE2 GLN A 176 1.589 4.825 11.908 1.00 1.57 N ATOM 0 H GLN A 176 2.322 3.069 7.042 1.00 0.39 H new ATOM 0 HA GLN A 176 3.957 5.107 8.046 1.00 0.45 H new ATOM 0 HB2 GLN A 176 2.051 3.107 9.128 1.00 0.56 H new ATOM 0 HB3 GLN A 176 3.236 3.643 10.303 1.00 0.56 H new ATOM 0 HG2 GLN A 176 2.697 6.056 9.637 1.00 0.74 H new ATOM 0 HG3 GLN A 176 1.402 5.436 8.633 1.00 0.74 H new ATOM 0 HE21 GLN A 176 2.586 4.623 11.988 1.00 1.57 H new ATOM 0 HE22 GLN A 176 0.990 4.770 12.732 1.00 1.57 H new ATOM 2528 N SER A 177 5.084 2.131 8.996 1.00 0.44 N ATOM 2529 CA SER A 177 6.329 1.443 9.430 1.00 0.35 C ATOM 2530 C SER A 177 7.403 1.608 8.354 1.00 0.30 C ATOM 2531 O SER A 177 8.583 1.580 8.634 1.00 0.21 O ATOM 2532 CB SER A 177 6.040 -0.044 9.639 1.00 0.43 C ATOM 2533 OG SER A 177 5.177 -0.201 10.756 1.00 0.70 O ATOM 0 H SER A 177 4.254 1.539 8.956 1.00 0.44 H new ATOM 0 HA SER A 177 6.681 1.880 10.364 1.00 0.35 H new ATOM 0 HB2 SER A 177 5.579 -0.466 8.746 1.00 0.43 H new ATOM 0 HB3 SER A 177 6.970 -0.588 9.804 1.00 0.43 H new ATOM 0 HG SER A 177 5.600 -0.789 11.416 1.00 0.70 H new ATOM 2539 N SER A 178 7.002 1.775 7.121 1.00 0.38 N ATOM 2540 CA SER A 178 8.004 1.941 6.028 1.00 0.39 C ATOM 2541 C SER A 178 8.773 3.252 6.227 1.00 0.37 C ATOM 2542 O SER A 178 9.970 3.316 6.023 1.00 0.35 O ATOM 2543 CB SER A 178 7.285 1.967 4.677 1.00 0.49 C ATOM 2544 OG SER A 178 6.439 0.829 4.574 1.00 1.92 O ATOM 0 H SER A 178 6.026 1.804 6.824 1.00 0.38 H new ATOM 0 HA SER A 178 8.705 1.107 6.050 1.00 0.39 H new ATOM 0 HB2 SER A 178 6.698 2.881 4.582 1.00 0.49 H new ATOM 0 HB3 SER A 178 8.012 1.969 3.865 1.00 0.49 H new ATOM 0 HG SER A 178 5.716 0.898 5.232 1.00 1.92 H new ATOM 2550 N LEU A 179 8.100 4.298 6.630 1.00 0.37 N ATOM 2551 CA LEU A 179 8.798 5.598 6.846 1.00 0.36 C ATOM 2552 C LEU A 179 9.730 5.463 8.050 1.00 0.29 C ATOM 2553 O LEU A 179 10.880 5.848 8.005 1.00 0.26 O ATOM 2554 CB LEU A 179 7.767 6.698 7.115 1.00 0.37 C ATOM 2555 CG LEU A 179 7.021 7.033 5.821 1.00 0.52 C ATOM 2556 CD1 LEU A 179 5.696 6.271 5.781 1.00 0.81 C ATOM 2557 CD2 LEU A 179 6.741 8.538 5.767 1.00 0.73 C ATOM 0 H LEU A 179 7.098 4.307 6.819 1.00 0.37 H new ATOM 0 HA LEU A 179 9.374 5.860 5.959 1.00 0.36 H new ATOM 0 HB2 LEU A 179 7.062 6.370 7.878 1.00 0.37 H new ATOM 0 HB3 LEU A 179 8.263 7.588 7.501 1.00 0.37 H new ATOM 0 HG LEU A 179 7.633 6.744 4.967 1.00 0.52 H new ATOM 0 HD11 LEU A 179 5.166 6.511 4.859 1.00 0.81 H new ATOM 0 HD12 LEU A 179 5.891 5.199 5.819 1.00 0.81 H new ATOM 0 HD13 LEU A 179 5.085 6.559 6.636 1.00 0.81 H new ATOM 0 HD21 LEU A 179 6.210 8.776 4.846 1.00 0.73 H new ATOM 0 HD22 LEU A 179 6.130 8.825 6.623 1.00 0.73 H new ATOM 0 HD23 LEU A 179 7.684 9.085 5.794 1.00 0.73 H new ATOM 2569 N ARG A 180 9.241 4.907 9.125 1.00 0.26 N ATOM 2570 CA ARG A 180 10.098 4.734 10.331 1.00 0.19 C ATOM 2571 C ARG A 180 11.103 3.600 10.084 1.00 0.29 C ATOM 2572 O ARG A 180 12.040 3.415 10.835 1.00 0.42 O ATOM 2573 CB ARG A 180 9.222 4.387 11.541 1.00 0.32 C ATOM 2574 CG ARG A 180 7.968 5.267 11.542 1.00 1.42 C ATOM 2575 CD ARG A 180 7.700 5.780 12.958 1.00 1.20 C ATOM 2576 NE ARG A 180 7.812 4.652 13.924 1.00 0.58 N ATOM 2577 CZ ARG A 180 6.745 3.988 14.275 1.00 1.54 C ATOM 2578 NH1 ARG A 180 5.950 4.470 15.191 1.00 1.66 N ATOM 2579 NH2 ARG A 180 6.474 2.844 13.709 1.00 2.82 N ATOM 0 H ARG A 180 8.285 4.565 9.220 1.00 0.26 H new ATOM 0 HA ARG A 180 10.635 5.661 10.529 1.00 0.19 H new ATOM 0 HB2 ARG A 180 8.939 3.335 11.507 1.00 0.32 H new ATOM 0 HB3 ARG A 180 9.783 4.537 12.463 1.00 0.32 H new ATOM 0 HG2 ARG A 180 8.100 6.107 10.860 1.00 1.42 H new ATOM 0 HG3 ARG A 180 7.111 4.697 11.183 1.00 1.42 H new ATOM 0 HD2 ARG A 180 8.413 6.564 13.213 1.00 1.20 H new ATOM 0 HD3 ARG A 180 6.706 6.223 13.014 1.00 1.20 H new ATOM 0 HE ARG A 180 8.721 4.399 14.311 1.00 0.58 H new ATOM 0 HH11 ARG A 180 6.163 5.365 15.632 1.00 1.66 H new ATOM 0 HH12 ARG A 180 5.116 3.952 15.466 1.00 1.66 H new ATOM 0 HH21 ARG A 180 7.096 2.469 12.993 1.00 2.82 H new ATOM 0 HH22 ARG A 180 5.640 2.324 13.983 1.00 2.82 H new ATOM 2593 N ALA A 181 10.924 2.849 9.026 1.00 0.38 N ATOM 2594 CA ALA A 181 11.868 1.744 8.721 1.00 0.52 C ATOM 2595 C ALA A 181 13.118 2.344 8.086 1.00 0.35 C ATOM 2596 O ALA A 181 14.231 1.946 8.366 1.00 0.47 O ATOM 2597 CB ALA A 181 11.211 0.780 7.734 1.00 0.73 C ATOM 0 H ALA A 181 10.159 2.959 8.360 1.00 0.38 H new ATOM 0 HA ALA A 181 12.129 1.205 9.632 1.00 0.52 H new ATOM 0 HB1 ALA A 181 11.900 -0.033 7.507 1.00 0.73 H new ATOM 0 HB2 ALA A 181 10.301 0.372 8.174 1.00 0.73 H new ATOM 0 HB3 ALA A 181 10.963 1.312 6.816 1.00 0.73 H new ATOM 2603 N LEU A 182 12.932 3.312 7.232 1.00 0.15 N ATOM 2604 CA LEU A 182 14.095 3.956 6.574 1.00 0.23 C ATOM 2605 C LEU A 182 14.751 4.927 7.554 1.00 0.36 C ATOM 2606 O LEU A 182 15.957 5.079 7.581 1.00 0.59 O ATOM 2607 CB LEU A 182 13.624 4.715 5.332 1.00 0.26 C ATOM 2608 CG LEU A 182 13.863 3.854 4.092 1.00 0.39 C ATOM 2609 CD1 LEU A 182 12.523 3.345 3.559 1.00 0.42 C ATOM 2610 CD2 LEU A 182 14.553 4.694 3.016 1.00 0.95 C ATOM 0 H LEU A 182 12.021 3.683 6.963 1.00 0.15 H new ATOM 0 HA LEU A 182 14.817 3.196 6.276 1.00 0.23 H new ATOM 0 HB2 LEU A 182 12.565 4.959 5.421 1.00 0.26 H new ATOM 0 HB3 LEU A 182 14.162 5.659 5.243 1.00 0.26 H new ATOM 0 HG LEU A 182 14.496 3.006 4.354 1.00 0.39 H new ATOM 0 HD11 LEU A 182 12.693 2.731 2.675 1.00 0.42 H new ATOM 0 HD12 LEU A 182 12.029 2.748 4.326 1.00 0.42 H new ATOM 0 HD13 LEU A 182 11.890 4.193 3.296 1.00 0.42 H new ATOM 0 HD21 LEU A 182 14.724 4.082 2.131 1.00 0.95 H new ATOM 0 HD22 LEU A 182 13.919 5.541 2.754 1.00 0.95 H new ATOM 0 HD23 LEU A 182 15.508 5.058 3.395 1.00 0.95 H new ATOM 2622 N ARG A 183 13.966 5.582 8.364 1.00 0.30 N ATOM 2623 CA ARG A 183 14.542 6.539 9.348 1.00 0.45 C ATOM 2624 C ARG A 183 15.337 5.762 10.398 1.00 0.47 C ATOM 2625 O ARG A 183 16.307 6.249 10.942 1.00 0.53 O ATOM 2626 CB ARG A 183 13.413 7.316 10.029 1.00 0.52 C ATOM 2627 CG ARG A 183 13.810 8.786 10.156 1.00 0.51 C ATOM 2628 CD ARG A 183 14.195 9.085 11.606 1.00 1.49 C ATOM 2629 NE ARG A 183 14.985 10.346 11.661 1.00 1.80 N ATOM 2630 CZ ARG A 183 15.051 11.028 12.773 1.00 2.36 C ATOM 2631 NH1 ARG A 183 15.302 10.416 13.899 1.00 3.34 N ATOM 2632 NH2 ARG A 183 14.868 12.319 12.760 1.00 2.29 N ATOM 0 H ARG A 183 12.950 5.495 8.386 1.00 0.30 H new ATOM 0 HA ARG A 183 15.201 7.240 8.835 1.00 0.45 H new ATOM 0 HB2 ARG A 183 12.494 7.225 9.450 1.00 0.52 H new ATOM 0 HB3 ARG A 183 13.211 6.896 11.015 1.00 0.52 H new ATOM 0 HG2 ARG A 183 14.647 9.007 9.493 1.00 0.51 H new ATOM 0 HG3 ARG A 183 12.983 9.425 9.849 1.00 0.51 H new ATOM 0 HD2 ARG A 183 13.299 9.178 12.219 1.00 1.49 H new ATOM 0 HD3 ARG A 183 14.778 8.260 12.016 1.00 1.49 H new ATOM 0 HE ARG A 183 15.475 10.677 10.830 1.00 1.80 H new ATOM 0 HH11 ARG A 183 15.446 9.406 13.910 1.00 3.34 H new ATOM 0 HH12 ARG A 183 15.354 10.948 14.768 1.00 3.34 H new ATOM 0 HH21 ARG A 183 14.673 12.798 11.881 1.00 2.29 H new ATOM 0 HH22 ARG A 183 14.920 12.850 13.629 1.00 2.29 H new ATOM 2646 N GLN A 184 14.935 4.552 10.683 1.00 0.43 N ATOM 2647 CA GLN A 184 15.671 3.742 11.691 1.00 0.46 C ATOM 2648 C GLN A 184 16.922 3.155 11.037 1.00 0.40 C ATOM 2649 O GLN A 184 17.928 2.934 11.682 1.00 0.38 O ATOM 2650 CB GLN A 184 14.773 2.607 12.191 1.00 0.44 C ATOM 2651 CG GLN A 184 13.726 3.171 13.155 1.00 0.94 C ATOM 2652 CD GLN A 184 14.425 3.750 14.386 1.00 0.81 C ATOM 2653 OE1 GLN A 184 15.592 3.499 14.610 1.00 0.47 O ATOM 2654 NE2 GLN A 184 13.756 4.522 15.199 1.00 1.84 N ATOM 0 H GLN A 184 14.129 4.092 10.260 1.00 0.43 H new ATOM 0 HA GLN A 184 15.956 4.371 12.534 1.00 0.46 H new ATOM 0 HB2 GLN A 184 14.282 2.120 11.349 1.00 0.44 H new ATOM 0 HB3 GLN A 184 15.373 1.848 12.693 1.00 0.44 H new ATOM 0 HG2 GLN A 184 13.139 3.944 12.659 1.00 0.94 H new ATOM 0 HG3 GLN A 184 13.031 2.386 13.454 1.00 0.94 H new ATOM 0 HE21 GLN A 184 12.776 4.733 15.011 1.00 1.84 H new ATOM 0 HE22 GLN A 184 14.213 4.914 16.022 1.00 1.84 H new ATOM 2663 N MET A 185 16.865 2.907 9.758 1.00 0.41 N ATOM 2664 CA MET A 185 18.047 2.338 9.057 1.00 0.36 C ATOM 2665 C MET A 185 19.262 3.241 9.287 1.00 0.66 C ATOM 2666 O MET A 185 19.060 4.422 9.520 1.00 1.31 O ATOM 2667 CB MET A 185 17.760 2.247 7.558 1.00 0.41 C ATOM 2668 CG MET A 185 17.061 0.921 7.252 1.00 0.04 C ATOM 2669 SD MET A 185 16.166 1.062 5.685 1.00 0.65 S ATOM 2670 CE MET A 185 14.817 -0.073 6.089 1.00 0.18 C ATOM 2671 OXT MET A 185 20.370 2.736 9.225 1.00 1.09 O ATOM 0 H MET A 185 16.050 3.074 9.168 1.00 0.41 H new ATOM 0 HA MET A 185 18.253 1.342 9.449 1.00 0.36 H new ATOM 0 HB2 MET A 185 17.132 3.082 7.246 1.00 0.41 H new ATOM 0 HB3 MET A 185 18.690 2.319 6.994 1.00 0.41 H new ATOM 0 HG2 MET A 185 17.793 0.116 7.194 1.00 0.04 H new ATOM 0 HG3 MET A 185 16.371 0.667 8.056 1.00 0.04 H new ATOM 0 HE1 MET A 185 14.974 -1.022 5.576 1.00 0.18 H new ATOM 0 HE2 MET A 185 14.794 -0.242 7.166 1.00 0.18 H new ATOM 0 HE3 MET A 185 13.869 0.360 5.769 1.00 0.18 H new