USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1053 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 130 THR OG1 : rot 58:sc= 0.272 USER MOD Set 1.2: A 135 LYS NZ :NH3+ -134:sc= 0.0809 (180deg=0) USER MOD Set 2.1: A 80 TYR OH : rot -160:sc= 0.06 USER MOD Set 2.2: A 89 GLN : amide:sc= -4.07! K(o=-4!,f=-1.1) USER MOD Set 3.1: A 21 CYS SG : rot -170:sc= -0.334 USER MOD Set 3.2: A 83 SER OG : rot 167:sc= 1.21 USER MOD Set 4.1: A 20 TYR OH : rot -120:sc= 1.06 USER MOD Set 4.2: A 77 SER OG : rot -141:sc= 2.03 USER MOD Set 4.3: A 110 TYR OH : rot 18:sc= 0.502 USER MOD Single : A 10 MET CE :methyl 170:sc= -0.23 (180deg=-0.349) USER MOD Single : A 19 CYS SG : rot 178:sc= -0.964 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN : amide:sc= -1.73 K(o=-1.7,f=-1) USER MOD Single : A 31 MET CE :methyl 150:sc= -0.78 (180deg=-2.03!) USER MOD Single : A 34 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.65) USER MOD Single : A 37 GLN : amide:sc= -0.898 X(o=-0.9,f=-0.69) USER MOD Single : A 43 LYS NZ :NH3+ -157:sc= -0.405! (180deg=-2.84!) USER MOD Single : A 45 CYS SG : rot -35:sc= -3.02 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 147:sc= -1.01 USER MOD Single : A 72 MET CE :methyl -113:sc= -5.25! (180deg=-11.2!) USER MOD Single : A 82 GLN : amide:sc= -0.625 X(o=-0.63,f=-1.1) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 CYS SG : rot 86:sc= -1.31 USER MOD Single : A 90 THR OG1 : rot 85:sc= 1.15 USER MOD Single : A 91 LYS NZ :NH3+ 145:sc= -0.296 (180deg=-0.873) USER MOD Single : A 95 SER OG : rot -60:sc= 0.485 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -0.654 X(o=-0.65,f=-0.35) USER MOD Single : A 102 GLN : amide:sc= -0.0273 X(o=-0.027,f=-0.0011) USER MOD Single : A 103 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.244) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 158:sc= -0.0391 (180deg=-0.353) USER MOD Single : A 113 MET CE :methyl -111:sc= -5.55! (180deg=-9.84!) USER MOD Single : A 114 LYS NZ :NH3+ -129:sc= -0.494 (180deg=-3.34!) USER MOD Single : A 115 LYS NZ :NH3+ 152:sc= -1.69! (180deg=-2.91!) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 CYS SG : rot 180:sc= 0 USER MOD Single : A 129 TYR OH : rot 153:sc= -0.0339 USER MOD Single : A 131 ASN : amide:sc= -1.13 X(o=-1.1,f=-1.1) USER MOD Single : A 133 CYS SG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot -57:sc= 0.31 USER MOD ----------------------------------------------------------------- ATOM 19 N MET A 10 -6.676 -11.020 -12.917 1.00 0.00 N ATOM 20 CA MET A 10 -6.523 -11.290 -11.491 1.00 0.00 C ATOM 21 C MET A 10 -5.821 -12.626 -11.257 1.00 0.00 C ATOM 22 O MET A 10 -6.470 -13.646 -11.028 1.00 0.00 O ATOM 23 CB MET A 10 -7.890 -11.293 -10.800 1.00 0.00 C ATOM 24 CG MET A 10 -7.808 -11.487 -9.294 1.00 0.00 C ATOM 25 SD MET A 10 -9.352 -12.092 -8.587 1.00 0.00 S ATOM 26 CE MET A 10 -9.975 -10.604 -7.811 1.00 0.00 C ATOM 0 HA MET A 10 -5.907 -10.498 -11.064 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.396 -10.351 -11.010 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.503 -12.087 -11.228 1.00 0.00 H new ATOM 0 HG2 MET A 10 -7.008 -12.191 -9.065 1.00 0.00 H new ATOM 0 HG3 MET A 10 -7.544 -10.540 -8.823 1.00 0.00 H new ATOM 0 HE1 MET A 10 -11.002 -10.767 -7.484 1.00 0.00 H new ATOM 0 HE2 MET A 10 -9.355 -10.356 -6.949 1.00 0.00 H new ATOM 0 HE3 MET A 10 -9.948 -9.782 -8.526 1.00 0.00 H new ATOM 36 N PRO A 11 -4.478 -12.636 -11.312 1.00 0.00 N ATOM 37 CA PRO A 11 -3.690 -13.856 -11.102 1.00 0.00 C ATOM 38 C PRO A 11 -3.897 -14.445 -9.711 1.00 0.00 C ATOM 39 O PRO A 11 -4.760 -13.993 -8.958 1.00 0.00 O ATOM 40 CB PRO A 11 -2.238 -13.390 -11.276 1.00 0.00 C ATOM 41 CG PRO A 11 -2.277 -11.913 -11.084 1.00 0.00 C ATOM 42 CD PRO A 11 -3.623 -11.467 -11.576 1.00 0.00 C ATOM 0 HA PRO A 11 -3.979 -14.647 -11.795 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.582 -13.865 -10.547 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.857 -13.649 -12.264 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.139 -11.652 -10.035 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.477 -11.426 -11.641 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.974 -10.582 -11.044 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.601 -11.214 -12.636 1.00 0.00 H new ATOM 50 N GLU A 12 -3.104 -15.457 -9.378 1.00 0.00 N ATOM 51 CA GLU A 12 -3.203 -16.110 -8.077 1.00 0.00 C ATOM 52 C GLU A 12 -2.235 -15.488 -7.076 1.00 0.00 C ATOM 53 O GLU A 12 -2.566 -15.313 -5.904 1.00 0.00 O ATOM 54 CB GLU A 12 -2.922 -17.608 -8.212 1.00 0.00 C ATOM 55 CG GLU A 12 -3.928 -18.340 -9.089 1.00 0.00 C ATOM 56 CD GLU A 12 -4.016 -19.818 -8.765 1.00 0.00 C ATOM 57 OE1 GLU A 12 -4.543 -20.160 -7.685 1.00 0.00 O ATOM 58 OE2 GLU A 12 -3.560 -20.636 -9.592 1.00 0.00 O ATOM 0 H GLU A 12 -2.386 -15.843 -9.990 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.218 -15.968 -7.706 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.923 -17.746 -8.626 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.921 -18.060 -7.220 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.911 -17.885 -8.965 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.649 -18.217 -10.136 1.00 0.00 H new ATOM 65 N ARG A 13 -1.040 -15.155 -7.549 1.00 0.00 N ATOM 66 CA ARG A 13 -0.021 -14.552 -6.696 1.00 0.00 C ATOM 67 C ARG A 13 0.120 -13.061 -6.989 1.00 0.00 C ATOM 68 O ARG A 13 0.261 -12.656 -8.143 1.00 0.00 O ATOM 69 CB ARG A 13 1.324 -15.253 -6.897 1.00 0.00 C ATOM 70 CG ARG A 13 1.250 -16.764 -6.753 1.00 0.00 C ATOM 71 CD ARG A 13 0.655 -17.174 -5.415 1.00 0.00 C ATOM 72 NE ARG A 13 1.514 -18.111 -4.697 1.00 0.00 N ATOM 73 CZ ARG A 13 1.093 -18.891 -3.703 1.00 0.00 C ATOM 74 NH1 ARG A 13 -0.172 -18.848 -3.306 1.00 0.00 N ATOM 75 NH2 ARG A 13 1.940 -19.717 -3.103 1.00 0.00 N ATOM 0 H ARG A 13 -0.752 -15.292 -8.518 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.333 -14.673 -5.659 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.707 -15.009 -7.888 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.040 -14.862 -6.174 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.647 -17.177 -7.561 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.249 -17.188 -6.852 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.495 -16.287 -4.802 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.322 -17.629 -5.577 1.00 0.00 H new ATOM 0 HE ARG A 13 2.494 -18.172 -4.973 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.829 -18.215 -3.763 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.488 -19.448 -2.544 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.914 -19.755 -3.403 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.617 -20.314 -2.342 1.00 0.00 H new ATOM 89 N PHE A 14 0.081 -12.251 -5.937 1.00 0.00 N ATOM 90 CA PHE A 14 0.202 -10.806 -6.080 1.00 0.00 C ATOM 91 C PHE A 14 1.386 -10.276 -5.278 1.00 0.00 C ATOM 92 O PHE A 14 1.938 -10.978 -4.431 1.00 0.00 O ATOM 93 CB PHE A 14 -1.089 -10.120 -5.636 1.00 0.00 C ATOM 94 CG PHE A 14 -2.265 -10.451 -6.508 1.00 0.00 C ATOM 95 CD1 PHE A 14 -2.479 -9.769 -7.693 1.00 0.00 C ATOM 96 CD2 PHE A 14 -3.155 -11.449 -6.143 1.00 0.00 C ATOM 97 CE1 PHE A 14 -3.559 -10.072 -8.499 1.00 0.00 C ATOM 98 CE2 PHE A 14 -4.237 -11.759 -6.946 1.00 0.00 C ATOM 99 CZ PHE A 14 -4.439 -11.069 -8.125 1.00 0.00 C ATOM 0 H PHE A 14 -0.034 -12.571 -4.975 1.00 0.00 H new ATOM 0 HA PHE A 14 0.376 -10.581 -7.132 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.313 -10.411 -4.610 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.938 -9.041 -5.636 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.793 -8.990 -7.991 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.002 -11.990 -5.221 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -3.715 -9.530 -9.420 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -4.923 -12.539 -6.652 1.00 0.00 H new ATOM 0 HZ PHE A 14 -5.284 -11.308 -8.754 1.00 0.00 H new ATOM 109 N ASP A 15 1.774 -9.038 -5.557 1.00 0.00 N ATOM 110 CA ASP A 15 2.900 -8.417 -4.868 1.00 0.00 C ATOM 111 C ASP A 15 2.436 -7.612 -3.659 1.00 0.00 C ATOM 112 O ASP A 15 2.716 -7.976 -2.514 1.00 0.00 O ATOM 113 CB ASP A 15 3.674 -7.514 -5.832 1.00 0.00 C ATOM 114 CG ASP A 15 5.153 -7.843 -5.870 1.00 0.00 C ATOM 115 OD1 ASP A 15 5.653 -8.448 -4.898 1.00 0.00 O ATOM 116 OD2 ASP A 15 5.814 -7.495 -6.872 1.00 0.00 O ATOM 0 H ASP A 15 1.326 -8.444 -6.255 1.00 0.00 H new ATOM 0 HA ASP A 15 3.556 -9.212 -4.513 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.256 -7.614 -6.834 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.544 -6.473 -5.535 1.00 0.00 H new ATOM 121 N ALA A 16 1.735 -6.511 -3.915 1.00 0.00 N ATOM 122 CA ALA A 16 1.252 -5.654 -2.837 1.00 0.00 C ATOM 123 C ALA A 16 -0.170 -5.165 -3.089 1.00 0.00 C ATOM 124 O ALA A 16 -0.713 -5.317 -4.184 1.00 0.00 O ATOM 125 CB ALA A 16 2.184 -4.468 -2.649 1.00 0.00 C ATOM 0 H ALA A 16 1.490 -6.193 -4.853 1.00 0.00 H new ATOM 0 HA ALA A 16 1.239 -6.253 -1.927 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.812 -3.837 -1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.183 -4.826 -2.399 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.227 -3.889 -3.572 1.00 0.00 H new ATOM 131 N PHE A 17 -0.765 -4.569 -2.059 1.00 0.00 N ATOM 132 CA PHE A 17 -2.124 -4.046 -2.157 1.00 0.00 C ATOM 133 C PHE A 17 -2.170 -2.574 -1.755 1.00 0.00 C ATOM 134 O PHE A 17 -1.333 -2.103 -0.986 1.00 0.00 O ATOM 135 CB PHE A 17 -3.070 -4.863 -1.275 1.00 0.00 C ATOM 136 CG PHE A 17 -4.495 -4.391 -1.318 1.00 0.00 C ATOM 137 CD1 PHE A 17 -4.920 -3.352 -0.506 1.00 0.00 C ATOM 138 CD2 PHE A 17 -5.409 -4.988 -2.171 1.00 0.00 C ATOM 139 CE1 PHE A 17 -6.230 -2.917 -0.543 1.00 0.00 C ATOM 140 CE2 PHE A 17 -6.723 -4.557 -2.213 1.00 0.00 C ATOM 141 CZ PHE A 17 -7.133 -3.520 -1.397 1.00 0.00 C ATOM 0 H PHE A 17 -0.327 -4.436 -1.147 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.447 -4.128 -3.195 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.033 -5.907 -1.587 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.715 -4.826 -0.245 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.219 -2.877 0.164 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.092 -5.799 -2.810 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.548 -2.106 0.095 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.427 -5.030 -2.882 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.158 -3.181 -1.427 1.00 0.00 H new ATOM 151 N ILE A 18 -3.153 -1.850 -2.285 1.00 0.00 N ATOM 152 CA ILE A 18 -3.307 -0.430 -1.986 1.00 0.00 C ATOM 153 C ILE A 18 -4.533 -0.173 -1.112 1.00 0.00 C ATOM 154 O ILE A 18 -5.664 -0.422 -1.527 1.00 0.00 O ATOM 155 CB ILE A 18 -3.435 0.405 -3.278 1.00 0.00 C ATOM 156 CG1 ILE A 18 -2.260 0.122 -4.213 1.00 0.00 C ATOM 157 CG2 ILE A 18 -3.516 1.893 -2.952 1.00 0.00 C ATOM 158 CD1 ILE A 18 -0.928 0.599 -3.673 1.00 0.00 C ATOM 0 H ILE A 18 -3.855 -2.224 -2.924 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.410 -0.127 -1.446 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.356 0.117 -3.784 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.204 -0.951 -4.399 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.447 0.603 -5.173 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.606 2.464 -3.876 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.387 2.081 -2.324 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.614 2.199 -2.423 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -0.140 0.365 -4.389 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.965 1.677 -3.514 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.719 0.099 -2.727 1.00 0.00 H new ATOM 170 N CYS A 19 -4.301 0.332 0.097 1.00 0.00 N ATOM 171 CA CYS A 19 -5.393 0.626 1.022 1.00 0.00 C ATOM 172 C CYS A 19 -5.560 2.133 1.214 1.00 0.00 C ATOM 173 O CYS A 19 -4.864 2.746 2.026 1.00 0.00 O ATOM 174 CB CYS A 19 -5.140 -0.051 2.371 1.00 0.00 C ATOM 175 SG CYS A 19 -6.603 -0.837 3.087 1.00 0.00 S ATOM 0 H CYS A 19 -3.371 0.545 0.458 1.00 0.00 H new ATOM 0 HA CYS A 19 -6.315 0.233 0.593 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -4.360 -0.803 2.248 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -4.759 0.691 3.072 1.00 0.00 H new ATOM 0 HG CYS A 19 -6.280 -1.420 4.203 1.00 0.00 H new ATOM 181 N TYR A 20 -6.488 2.723 0.465 1.00 0.00 N ATOM 182 CA TYR A 20 -6.752 4.158 0.556 1.00 0.00 C ATOM 183 C TYR A 20 -8.232 4.461 0.324 1.00 0.00 C ATOM 184 O TYR A 20 -8.977 3.616 -0.173 1.00 0.00 O ATOM 185 CB TYR A 20 -5.896 4.918 -0.460 1.00 0.00 C ATOM 186 CG TYR A 20 -5.931 6.422 -0.287 1.00 0.00 C ATOM 187 CD1 TYR A 20 -5.738 7.005 0.961 1.00 0.00 C ATOM 188 CD2 TYR A 20 -6.156 7.257 -1.373 1.00 0.00 C ATOM 189 CE1 TYR A 20 -5.770 8.379 1.117 1.00 0.00 C ATOM 190 CE2 TYR A 20 -6.188 8.629 -1.224 1.00 0.00 C ATOM 191 CZ TYR A 20 -5.994 9.185 0.023 1.00 0.00 C ATOM 192 OH TYR A 20 -6.026 10.553 0.173 1.00 0.00 O ATOM 0 H TYR A 20 -7.070 2.230 -0.212 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.490 4.487 1.562 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.864 4.576 -0.379 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -6.236 4.669 -1.465 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -5.561 6.376 1.821 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -6.309 6.826 -2.351 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -5.620 8.818 2.092 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -6.364 9.264 -2.080 1.00 0.00 H new ATOM 0 HH TYR A 20 -6.901 10.892 -0.108 1.00 0.00 H new ATOM 202 N CYS A 21 -8.648 5.671 0.686 1.00 0.00 N ATOM 203 CA CYS A 21 -10.036 6.094 0.519 1.00 0.00 C ATOM 204 C CYS A 21 -10.302 6.559 -0.914 1.00 0.00 C ATOM 205 O CYS A 21 -9.394 7.020 -1.606 1.00 0.00 O ATOM 206 CB CYS A 21 -10.368 7.217 1.505 1.00 0.00 C ATOM 207 SG CYS A 21 -11.706 6.816 2.654 1.00 0.00 S ATOM 0 H CYS A 21 -8.041 6.379 1.099 1.00 0.00 H new ATOM 0 HA CYS A 21 -10.677 5.237 0.723 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -9.473 7.461 2.077 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -10.641 8.111 0.944 1.00 0.00 H new ATOM 0 HG CYS A 21 -12.056 7.887 3.303 1.00 0.00 H new ATOM 213 N PRO A 22 -11.559 6.439 -1.378 1.00 0.00 N ATOM 214 CA PRO A 22 -11.952 6.843 -2.734 1.00 0.00 C ATOM 215 C PRO A 22 -12.099 8.358 -2.894 1.00 0.00 C ATOM 216 O PRO A 22 -12.484 8.838 -3.960 1.00 0.00 O ATOM 217 CB PRO A 22 -13.303 6.157 -2.921 1.00 0.00 C ATOM 218 CG PRO A 22 -13.872 6.072 -1.547 1.00 0.00 C ATOM 219 CD PRO A 22 -12.702 5.895 -0.616 1.00 0.00 C ATOM 0 HA PRO A 22 -11.198 6.563 -3.470 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -13.951 6.730 -3.584 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -13.188 5.168 -3.365 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -14.432 6.975 -1.301 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.565 5.235 -1.464 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.851 6.433 0.320 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.549 4.846 -0.360 1.00 0.00 H new ATOM 227 N SER A 23 -11.795 9.108 -1.838 1.00 0.00 N ATOM 228 CA SER A 23 -11.899 10.560 -1.881 1.00 0.00 C ATOM 229 C SER A 23 -10.845 11.131 -2.815 1.00 0.00 C ATOM 230 O SER A 23 -11.124 12.024 -3.613 1.00 0.00 O ATOM 231 CB SER A 23 -11.738 11.149 -0.478 1.00 0.00 C ATOM 232 OG SER A 23 -12.873 11.915 -0.113 1.00 0.00 O ATOM 0 H SER A 23 -11.475 8.733 -0.945 1.00 0.00 H new ATOM 0 HA SER A 23 -12.886 10.828 -2.257 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.591 10.345 0.243 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.846 11.775 -0.443 1.00 0.00 H new ATOM 0 HG SER A 23 -12.746 12.279 0.788 1.00 0.00 H new ATOM 238 N ASP A 24 -9.633 10.600 -2.713 1.00 0.00 N ATOM 239 CA ASP A 24 -8.538 11.048 -3.556 1.00 0.00 C ATOM 240 C ASP A 24 -7.724 9.863 -4.065 1.00 0.00 C ATOM 241 O ASP A 24 -6.502 9.941 -4.190 1.00 0.00 O ATOM 242 CB ASP A 24 -7.636 12.018 -2.792 1.00 0.00 C ATOM 243 CG ASP A 24 -6.910 12.980 -3.713 1.00 0.00 C ATOM 244 OD1 ASP A 24 -7.585 13.815 -4.349 1.00 0.00 O ATOM 245 OD2 ASP A 24 -5.666 12.897 -3.797 1.00 0.00 O ATOM 0 H ASP A 24 -9.386 9.860 -2.056 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.964 11.567 -4.415 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.237 12.584 -2.080 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.906 11.452 -2.214 1.00 0.00 H new ATOM 250 N ILE A 25 -8.415 8.766 -4.357 1.00 0.00 N ATOM 251 CA ILE A 25 -7.765 7.558 -4.852 1.00 0.00 C ATOM 252 C ILE A 25 -7.073 7.809 -6.190 1.00 0.00 C ATOM 253 O ILE A 25 -5.982 7.296 -6.440 1.00 0.00 O ATOM 254 CB ILE A 25 -8.779 6.404 -5.004 1.00 0.00 C ATOM 255 CG1 ILE A 25 -8.055 5.061 -5.126 1.00 0.00 C ATOM 256 CG2 ILE A 25 -9.691 6.640 -6.203 1.00 0.00 C ATOM 257 CD1 ILE A 25 -7.294 4.888 -6.423 1.00 0.00 C ATOM 0 H ILE A 25 -9.427 8.689 -4.259 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.013 7.274 -4.116 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.400 6.375 -4.108 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.360 4.957 -4.292 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.785 4.257 -5.035 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.397 5.815 -6.291 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -10.238 7.573 -6.066 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.090 6.702 -7.110 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -6.809 3.912 -6.433 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -7.985 4.958 -7.263 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.539 5.669 -6.509 1.00 0.00 H new ATOM 269 N GLN A 26 -7.722 8.595 -7.047 1.00 0.00 N ATOM 270 CA GLN A 26 -7.182 8.916 -8.368 1.00 0.00 C ATOM 271 C GLN A 26 -5.689 9.225 -8.302 1.00 0.00 C ATOM 272 O GLN A 26 -4.919 8.809 -9.169 1.00 0.00 O ATOM 273 CB GLN A 26 -7.931 10.107 -8.970 1.00 0.00 C ATOM 274 CG GLN A 26 -9.415 9.850 -9.181 1.00 0.00 C ATOM 275 CD GLN A 26 -10.090 10.947 -9.979 1.00 0.00 C ATOM 276 OE1 GLN A 26 -10.478 10.746 -11.129 1.00 0.00 O ATOM 277 NE2 GLN A 26 -10.232 12.119 -9.370 1.00 0.00 N ATOM 0 H GLN A 26 -8.626 9.023 -6.849 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.320 8.041 -9.003 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.810 10.970 -8.315 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.476 10.366 -9.926 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.545 8.898 -9.697 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.905 9.757 -8.212 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.895 12.242 -8.415 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.678 12.896 -9.857 1.00 0.00 H new ATOM 286 N PHE A 27 -5.287 9.950 -7.267 1.00 0.00 N ATOM 287 CA PHE A 27 -3.885 10.308 -7.086 1.00 0.00 C ATOM 288 C PHE A 27 -3.039 9.068 -6.819 1.00 0.00 C ATOM 289 O PHE A 27 -2.011 8.851 -7.462 1.00 0.00 O ATOM 290 CB PHE A 27 -3.733 11.301 -5.931 1.00 0.00 C ATOM 291 CG PHE A 27 -2.502 12.157 -6.032 1.00 0.00 C ATOM 292 CD1 PHE A 27 -1.239 11.586 -5.983 1.00 0.00 C ATOM 293 CD2 PHE A 27 -2.608 13.531 -6.175 1.00 0.00 C ATOM 294 CE1 PHE A 27 -0.106 12.370 -6.077 1.00 0.00 C ATOM 295 CE2 PHE A 27 -1.477 14.320 -6.269 1.00 0.00 C ATOM 296 CZ PHE A 27 -0.224 13.739 -6.219 1.00 0.00 C ATOM 0 H PHE A 27 -5.910 10.302 -6.540 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.534 10.776 -8.006 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.612 11.945 -5.899 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.706 10.750 -4.991 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.140 10.516 -5.870 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.585 13.990 -6.213 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.872 11.913 -6.040 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.572 15.390 -6.381 1.00 0.00 H new ATOM 0 HZ PHE A 27 0.661 14.354 -6.291 1.00 0.00 H new ATOM 306 N VAL A 28 -3.482 8.254 -5.865 1.00 0.00 N ATOM 307 CA VAL A 28 -2.771 7.033 -5.511 1.00 0.00 C ATOM 308 C VAL A 28 -2.629 6.107 -6.714 1.00 0.00 C ATOM 309 O VAL A 28 -1.517 5.756 -7.110 1.00 0.00 O ATOM 310 CB VAL A 28 -3.485 6.276 -4.377 1.00 0.00 C ATOM 311 CG1 VAL A 28 -2.636 5.111 -3.891 1.00 0.00 C ATOM 312 CG2 VAL A 28 -3.812 7.220 -3.229 1.00 0.00 C ATOM 0 H VAL A 28 -4.331 8.419 -5.324 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.780 7.334 -5.170 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.420 5.875 -4.768 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.159 4.589 -3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.457 4.422 -4.716 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.683 5.486 -3.518 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.317 6.668 -2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.890 7.653 -2.840 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.464 8.017 -3.587 1.00 0.00 H new ATOM 322 N GLN A 29 -3.762 5.716 -7.296 1.00 0.00 N ATOM 323 CA GLN A 29 -3.763 4.832 -8.452 1.00 0.00 C ATOM 324 C GLN A 29 -2.795 5.323 -9.523 1.00 0.00 C ATOM 325 O GLN A 29 -2.147 4.525 -10.199 1.00 0.00 O ATOM 326 CB GLN A 29 -5.174 4.722 -9.026 1.00 0.00 C ATOM 327 CG GLN A 29 -5.784 6.059 -9.411 1.00 0.00 C ATOM 328 CD GLN A 29 -6.908 5.918 -10.418 1.00 0.00 C ATOM 329 OE1 GLN A 29 -6.672 5.670 -11.600 1.00 0.00 O ATOM 330 NE2 GLN A 29 -8.142 6.075 -9.953 1.00 0.00 N ATOM 0 H GLN A 29 -4.690 6.000 -6.983 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.431 3.846 -8.126 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.150 4.078 -9.905 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.818 4.237 -8.293 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.163 6.553 -8.516 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.008 6.702 -9.826 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.293 6.280 -8.965 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -8.939 5.991 -10.584 1.00 0.00 H new ATOM 339 N GLU A 30 -2.694 6.640 -9.668 1.00 0.00 N ATOM 340 CA GLU A 30 -1.794 7.229 -10.652 1.00 0.00 C ATOM 341 C GLU A 30 -0.353 6.841 -10.345 1.00 0.00 C ATOM 342 O GLU A 30 0.406 6.460 -11.237 1.00 0.00 O ATOM 343 CB GLU A 30 -1.937 8.752 -10.662 1.00 0.00 C ATOM 344 CG GLU A 30 -1.588 9.388 -11.999 1.00 0.00 C ATOM 345 CD GLU A 30 -0.414 10.343 -11.903 1.00 0.00 C ATOM 346 OE1 GLU A 30 0.480 10.102 -11.065 1.00 0.00 O ATOM 347 OE2 GLU A 30 -0.387 11.329 -12.670 1.00 0.00 O ATOM 0 H GLU A 30 -3.222 7.318 -9.118 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.060 6.847 -11.638 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -2.962 9.014 -10.401 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.294 9.174 -9.890 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.356 8.604 -12.720 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.457 9.924 -12.380 1.00 0.00 H new ATOM 354 N MET A 31 0.013 6.932 -9.071 1.00 0.00 N ATOM 355 CA MET A 31 1.358 6.584 -8.633 1.00 0.00 C ATOM 356 C MET A 31 1.587 5.078 -8.743 1.00 0.00 C ATOM 357 O MET A 31 2.600 4.632 -9.280 1.00 0.00 O ATOM 358 CB MET A 31 1.574 7.050 -7.189 1.00 0.00 C ATOM 359 CG MET A 31 2.845 6.512 -6.546 1.00 0.00 C ATOM 360 SD MET A 31 2.977 6.944 -4.800 1.00 0.00 S ATOM 361 CE MET A 31 1.343 6.498 -4.215 1.00 0.00 C ATOM 0 H MET A 31 -0.605 7.245 -8.323 1.00 0.00 H new ATOM 0 HA MET A 31 2.076 7.087 -9.280 1.00 0.00 H new ATOM 0 HB2 MET A 31 1.603 8.139 -7.171 1.00 0.00 H new ATOM 0 HB3 MET A 31 0.718 6.744 -6.588 1.00 0.00 H new ATOM 0 HG2 MET A 31 2.869 5.427 -6.651 1.00 0.00 H new ATOM 0 HG3 MET A 31 3.711 6.903 -7.080 1.00 0.00 H new ATOM 0 HE1 MET A 31 1.401 6.193 -3.170 1.00 0.00 H new ATOM 0 HE2 MET A 31 0.677 7.356 -4.306 1.00 0.00 H new ATOM 0 HE3 MET A 31 0.955 5.673 -4.813 1.00 0.00 H new ATOM 371 N ILE A 32 0.639 4.302 -8.226 1.00 0.00 N ATOM 372 CA ILE A 32 0.736 2.848 -8.263 1.00 0.00 C ATOM 373 C ILE A 32 0.809 2.333 -9.696 1.00 0.00 C ATOM 374 O ILE A 32 1.764 1.652 -10.071 1.00 0.00 O ATOM 375 CB ILE A 32 -0.460 2.186 -7.549 1.00 0.00 C ATOM 376 CG1 ILE A 32 -0.677 2.807 -6.164 1.00 0.00 C ATOM 377 CG2 ILE A 32 -0.246 0.681 -7.438 1.00 0.00 C ATOM 378 CD1 ILE A 32 0.600 3.017 -5.378 1.00 0.00 C ATOM 0 H ILE A 32 -0.205 4.657 -7.777 1.00 0.00 H new ATOM 0 HA ILE A 32 1.655 2.581 -7.741 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.357 2.363 -8.143 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.181 3.766 -6.282 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.344 2.165 -5.589 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.099 0.229 -6.932 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.147 0.253 -8.436 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.661 0.484 -6.867 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.363 3.460 -4.410 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.096 2.058 -5.227 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.261 3.685 -5.930 1.00 0.00 H new ATOM 390 N ARG A 33 -0.201 2.661 -10.496 1.00 0.00 N ATOM 391 CA ARG A 33 -0.246 2.230 -11.885 1.00 0.00 C ATOM 392 C ARG A 33 1.035 2.628 -12.614 1.00 0.00 C ATOM 393 O ARG A 33 1.509 1.910 -13.496 1.00 0.00 O ATOM 394 CB ARG A 33 -1.466 2.834 -12.583 1.00 0.00 C ATOM 395 CG ARG A 33 -1.367 4.333 -12.807 1.00 0.00 C ATOM 396 CD ARG A 33 -0.865 4.658 -14.203 1.00 0.00 C ATOM 397 NE ARG A 33 -1.945 4.658 -15.187 1.00 0.00 N ATOM 398 CZ ARG A 33 -1.867 5.255 -16.375 1.00 0.00 C ATOM 399 NH1 ARG A 33 -0.761 5.897 -16.732 1.00 0.00 N ATOM 400 NH2 ARG A 33 -2.895 5.208 -17.209 1.00 0.00 N ATOM 0 H ARG A 33 -0.999 3.225 -10.204 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.329 1.143 -11.909 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.603 2.341 -13.545 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.354 2.623 -11.988 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.345 4.789 -12.656 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -0.695 4.768 -12.068 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -0.381 5.635 -14.196 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.109 3.930 -14.495 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.810 4.172 -14.950 1.00 0.00 H new ATOM 0 HH11 ARG A 33 0.035 5.935 -16.095 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -0.707 6.352 -17.643 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.747 4.715 -16.941 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.835 5.665 -18.119 1.00 0.00 H new ATOM 414 N GLN A 34 1.597 3.770 -12.228 1.00 0.00 N ATOM 415 CA GLN A 34 2.827 4.260 -12.830 1.00 0.00 C ATOM 416 C GLN A 34 4.021 3.455 -12.329 1.00 0.00 C ATOM 417 O GLN A 34 5.076 3.426 -12.963 1.00 0.00 O ATOM 418 CB GLN A 34 3.023 5.742 -12.505 1.00 0.00 C ATOM 419 CG GLN A 34 2.438 6.678 -13.549 1.00 0.00 C ATOM 420 CD GLN A 34 2.498 8.132 -13.125 1.00 0.00 C ATOM 421 OE1 GLN A 34 3.268 8.502 -12.238 1.00 0.00 O ATOM 422 NE2 GLN A 34 1.682 8.969 -13.759 1.00 0.00 N ATOM 0 H GLN A 34 1.217 4.373 -11.499 1.00 0.00 H new ATOM 0 HA GLN A 34 2.753 4.142 -13.911 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.565 5.957 -11.540 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.089 5.945 -12.404 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.979 6.554 -14.487 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.401 6.401 -13.740 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.060 8.620 -14.488 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.678 9.960 -13.516 1.00 0.00 H new ATOM 431 N LEU A 35 3.847 2.808 -11.181 1.00 0.00 N ATOM 432 CA LEU A 35 4.902 2.006 -10.585 1.00 0.00 C ATOM 433 C LEU A 35 4.921 0.593 -11.164 1.00 0.00 C ATOM 434 O LEU A 35 5.985 0.042 -11.445 1.00 0.00 O ATOM 435 CB LEU A 35 4.714 1.942 -9.069 1.00 0.00 C ATOM 436 CG LEU A 35 5.179 3.181 -8.302 1.00 0.00 C ATOM 437 CD1 LEU A 35 4.826 3.058 -6.828 1.00 0.00 C ATOM 438 CD2 LEU A 35 6.674 3.387 -8.480 1.00 0.00 C ATOM 0 H LEU A 35 2.979 2.826 -10.645 1.00 0.00 H new ATOM 0 HA LEU A 35 5.856 2.480 -10.816 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.658 1.778 -8.857 1.00 0.00 H new ATOM 0 HB3 LEU A 35 5.254 1.075 -8.688 1.00 0.00 H new ATOM 0 HG LEU A 35 4.663 4.052 -8.706 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.164 3.948 -6.297 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.746 2.959 -6.720 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.315 2.178 -6.409 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.988 4.273 -7.928 1.00 0.00 H new ATOM 0 HD22 LEU A 35 7.209 2.516 -8.102 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.899 3.521 -9.538 1.00 0.00 H new ATOM 450 N GLU A 36 3.738 0.010 -11.329 1.00 0.00 N ATOM 451 CA GLU A 36 3.619 -1.344 -11.862 1.00 0.00 C ATOM 452 C GLU A 36 3.972 -1.395 -13.346 1.00 0.00 C ATOM 453 O GLU A 36 4.444 -2.417 -13.845 1.00 0.00 O ATOM 454 CB GLU A 36 2.200 -1.875 -11.648 1.00 0.00 C ATOM 455 CG GLU A 36 1.114 -0.919 -12.111 1.00 0.00 C ATOM 456 CD GLU A 36 -0.029 -1.628 -12.808 1.00 0.00 C ATOM 457 OE1 GLU A 36 0.115 -1.949 -14.007 1.00 0.00 O ATOM 458 OE2 GLU A 36 -1.068 -1.864 -12.157 1.00 0.00 O ATOM 0 H GLU A 36 2.848 0.453 -11.102 1.00 0.00 H new ATOM 0 HA GLU A 36 4.327 -1.974 -11.324 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.091 -2.820 -12.180 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.057 -2.088 -10.589 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.727 -0.371 -11.252 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.547 -0.184 -12.789 1.00 0.00 H new ATOM 465 N GLN A 37 3.739 -0.291 -14.052 1.00 0.00 N ATOM 466 CA GLN A 37 4.031 -0.221 -15.476 1.00 0.00 C ATOM 467 C GLN A 37 5.537 -0.182 -15.745 1.00 0.00 C ATOM 468 O GLN A 37 5.966 -0.225 -16.897 1.00 0.00 O ATOM 469 CB GLN A 37 3.368 1.016 -16.073 1.00 0.00 C ATOM 470 CG GLN A 37 3.849 2.317 -15.453 1.00 0.00 C ATOM 471 CD GLN A 37 3.522 3.526 -16.307 1.00 0.00 C ATOM 472 OE1 GLN A 37 4.408 4.134 -16.909 1.00 0.00 O ATOM 473 NE2 GLN A 37 2.244 3.884 -16.363 1.00 0.00 N ATOM 0 H GLN A 37 3.349 0.565 -13.659 1.00 0.00 H new ATOM 0 HA GLN A 37 3.633 -1.121 -15.945 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.560 1.040 -17.146 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.288 0.938 -15.945 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.393 2.437 -14.470 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.927 2.266 -15.300 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.542 3.352 -15.848 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.964 4.691 -16.921 1.00 0.00 H new ATOM 555 N LEU A 42 6.316 -5.167 -10.781 1.00 0.00 N ATOM 556 CA LEU A 42 5.518 -4.904 -9.589 1.00 0.00 C ATOM 557 C LEU A 42 4.035 -5.134 -9.868 1.00 0.00 C ATOM 558 O LEU A 42 3.486 -4.603 -10.833 1.00 0.00 O ATOM 559 CB LEU A 42 5.744 -3.470 -9.109 1.00 0.00 C ATOM 560 CG LEU A 42 5.011 -3.091 -7.821 1.00 0.00 C ATOM 561 CD1 LEU A 42 5.853 -3.447 -6.605 1.00 0.00 C ATOM 562 CD2 LEU A 42 4.670 -1.609 -7.820 1.00 0.00 C ATOM 0 HA LEU A 42 5.833 -5.595 -8.807 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.813 -3.319 -8.958 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.434 -2.786 -9.899 1.00 0.00 H new ATOM 0 HG LEU A 42 4.081 -3.658 -7.773 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.316 -3.171 -5.697 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.048 -4.519 -6.599 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.799 -2.906 -6.646 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.149 -1.356 -6.897 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.587 -1.025 -7.891 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.029 -1.383 -8.672 1.00 0.00 H new ATOM 574 N LYS A 43 3.396 -5.931 -9.017 1.00 0.00 N ATOM 575 CA LYS A 43 1.977 -6.235 -9.171 1.00 0.00 C ATOM 576 C LYS A 43 1.190 -5.785 -7.947 1.00 0.00 C ATOM 577 O LYS A 43 1.086 -6.515 -6.961 1.00 0.00 O ATOM 578 CB LYS A 43 1.777 -7.734 -9.398 1.00 0.00 C ATOM 579 CG LYS A 43 2.713 -8.323 -10.444 1.00 0.00 C ATOM 580 CD LYS A 43 2.073 -8.334 -11.821 1.00 0.00 C ATOM 581 CE LYS A 43 2.545 -7.161 -12.666 1.00 0.00 C ATOM 582 NZ LYS A 43 1.762 -5.924 -12.391 1.00 0.00 N ATOM 0 H LYS A 43 3.838 -6.378 -8.214 1.00 0.00 H new ATOM 0 HA LYS A 43 1.606 -5.691 -10.040 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.925 -8.259 -8.454 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.746 -7.912 -9.704 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.636 -7.744 -10.475 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.984 -9.340 -10.160 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.314 -9.269 -12.328 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.988 -8.297 -11.719 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.600 -6.973 -12.468 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.459 -7.417 -13.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 1.824 -5.285 -13.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.767 -6.174 -12.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.148 -5.449 -11.550 1.00 0.00 H new ATOM 596 N LEU A 44 0.641 -4.579 -8.016 1.00 0.00 N ATOM 597 CA LEU A 44 -0.133 -4.029 -6.914 1.00 0.00 C ATOM 598 C LEU A 44 -1.626 -4.253 -7.128 1.00 0.00 C ATOM 599 O LEU A 44 -2.062 -4.580 -8.230 1.00 0.00 O ATOM 600 CB LEU A 44 0.159 -2.537 -6.759 1.00 0.00 C ATOM 601 CG LEU A 44 1.242 -2.203 -5.737 1.00 0.00 C ATOM 602 CD1 LEU A 44 2.013 -0.965 -6.161 1.00 0.00 C ATOM 603 CD2 LEU A 44 0.627 -2.006 -4.361 1.00 0.00 C ATOM 0 H LEU A 44 0.718 -3.963 -8.825 1.00 0.00 H new ATOM 0 HA LEU A 44 0.161 -4.547 -6.001 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.457 -2.136 -7.728 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.761 -2.028 -6.473 1.00 0.00 H new ATOM 0 HG LEU A 44 1.940 -3.038 -5.687 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.781 -0.743 -5.420 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.483 -1.143 -7.128 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.329 -0.120 -6.240 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.411 -1.768 -3.642 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.092 -1.187 -4.398 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.120 -2.921 -4.055 1.00 0.00 H new ATOM 615 N CYS A 45 -2.404 -4.079 -6.065 1.00 0.00 N ATOM 616 CA CYS A 45 -3.847 -4.268 -6.140 1.00 0.00 C ATOM 617 C CYS A 45 -4.589 -3.188 -5.361 1.00 0.00 C ATOM 618 O CYS A 45 -3.979 -2.398 -4.641 1.00 0.00 O ATOM 619 CB CYS A 45 -4.223 -5.648 -5.602 1.00 0.00 C ATOM 620 SG CYS A 45 -3.560 -7.030 -6.584 1.00 0.00 S ATOM 0 H CYS A 45 -2.060 -3.808 -5.144 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.142 -4.194 -7.187 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -3.863 -5.738 -4.577 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.309 -5.729 -5.566 1.00 0.00 H new ATOM 0 HG CYS A 45 -3.557 -6.706 -7.843 1.00 0.00 H new ATOM 625 N VAL A 46 -5.910 -3.162 -5.508 1.00 0.00 N ATOM 626 CA VAL A 46 -6.738 -2.182 -4.815 1.00 0.00 C ATOM 627 C VAL A 46 -8.025 -2.817 -4.295 1.00 0.00 C ATOM 628 O VAL A 46 -8.335 -3.964 -4.616 1.00 0.00 O ATOM 629 CB VAL A 46 -7.093 -0.991 -5.728 1.00 0.00 C ATOM 630 CG1 VAL A 46 -5.829 -0.300 -6.218 1.00 0.00 C ATOM 631 CG2 VAL A 46 -7.947 -1.447 -6.903 1.00 0.00 C ATOM 0 H VAL A 46 -6.430 -3.809 -6.101 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.152 -1.816 -3.972 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.673 -0.275 -5.146 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.098 0.538 -6.861 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.260 0.066 -5.364 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.222 -1.009 -6.781 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.185 -0.590 -7.534 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.398 -2.186 -7.487 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.870 -1.892 -6.531 1.00 0.00 H new ATOM 641 N SER A 47 -8.773 -2.062 -3.496 1.00 0.00 N ATOM 642 CA SER A 47 -10.027 -2.552 -2.935 1.00 0.00 C ATOM 643 C SER A 47 -11.171 -2.380 -3.929 1.00 0.00 C ATOM 644 O SER A 47 -11.682 -1.275 -4.118 1.00 0.00 O ATOM 645 CB SER A 47 -10.350 -1.815 -1.634 1.00 0.00 C ATOM 646 OG SER A 47 -10.923 -2.693 -0.679 1.00 0.00 O ATOM 0 H SER A 47 -8.532 -1.109 -3.223 1.00 0.00 H new ATOM 0 HA SER A 47 -9.911 -3.615 -2.723 1.00 0.00 H new ATOM 0 HB2 SER A 47 -9.440 -1.373 -1.227 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.039 -0.995 -1.838 1.00 0.00 H new ATOM 0 HG SER A 47 -11.119 -2.198 0.144 1.00 0.00 H new ATOM 781 N VAL A 57 -7.803 -1.333 -15.021 1.00 0.00 N ATOM 782 CA VAL A 57 -7.170 -1.072 -13.734 1.00 0.00 C ATOM 783 C VAL A 57 -6.879 -2.371 -12.990 1.00 0.00 C ATOM 784 O VAL A 57 -7.569 -3.373 -13.175 1.00 0.00 O ATOM 785 CB VAL A 57 -8.049 -0.172 -12.847 1.00 0.00 C ATOM 786 CG1 VAL A 57 -8.134 1.232 -13.426 1.00 0.00 C ATOM 787 CG2 VAL A 57 -9.437 -0.774 -12.686 1.00 0.00 C ATOM 0 HA VAL A 57 -6.232 -0.558 -13.943 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.589 -0.106 -11.861 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.760 1.853 -12.785 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.134 1.663 -13.484 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.569 1.188 -14.424 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.045 -0.124 -12.056 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.907 -0.873 -13.665 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.356 -1.757 -12.222 1.00 0.00 H new ATOM 797 N TRP A 58 -5.855 -2.344 -12.144 1.00 0.00 N ATOM 798 CA TRP A 58 -5.469 -3.508 -11.369 1.00 0.00 C ATOM 799 C TRP A 58 -6.173 -3.506 -10.015 1.00 0.00 C ATOM 800 O TRP A 58 -5.957 -2.612 -9.197 1.00 0.00 O ATOM 801 CB TRP A 58 -3.954 -3.519 -11.174 1.00 0.00 C ATOM 802 CG TRP A 58 -3.372 -4.894 -11.159 1.00 0.00 C ATOM 803 CD1 TRP A 58 -3.633 -5.869 -10.250 1.00 0.00 C ATOM 804 CD2 TRP A 58 -2.437 -5.448 -12.091 1.00 0.00 C ATOM 805 NE1 TRP A 58 -2.913 -7.002 -10.552 1.00 0.00 N ATOM 806 CE2 TRP A 58 -2.174 -6.767 -11.680 1.00 0.00 C ATOM 807 CE3 TRP A 58 -1.799 -4.957 -13.233 1.00 0.00 C ATOM 808 CZ2 TRP A 58 -1.299 -7.602 -12.371 1.00 0.00 C ATOM 809 CZ3 TRP A 58 -0.929 -5.786 -13.918 1.00 0.00 C ATOM 810 CH2 TRP A 58 -0.687 -7.096 -13.485 1.00 0.00 C ATOM 0 H TRP A 58 -5.276 -1.520 -11.980 1.00 0.00 H new ATOM 0 HA TRP A 58 -5.767 -4.406 -11.911 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.487 -2.943 -11.973 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -3.711 -3.019 -10.237 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.307 -5.769 -9.412 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.928 -7.874 -10.022 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -1.982 -3.949 -13.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -1.111 -8.612 -12.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.428 -5.417 -14.801 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -0.003 -7.719 -14.042 1.00 0.00 H new ATOM 821 N SER A 59 -7.019 -4.506 -9.786 1.00 0.00 N ATOM 822 CA SER A 59 -7.755 -4.606 -8.532 1.00 0.00 C ATOM 823 C SER A 59 -7.785 -6.042 -8.019 1.00 0.00 C ATOM 824 O SER A 59 -7.458 -6.980 -8.746 1.00 0.00 O ATOM 825 CB SER A 59 -9.184 -4.089 -8.714 1.00 0.00 C ATOM 826 OG SER A 59 -9.655 -4.345 -10.025 1.00 0.00 O ATOM 0 H SER A 59 -7.211 -5.256 -10.450 1.00 0.00 H new ATOM 0 HA SER A 59 -7.240 -3.991 -7.794 1.00 0.00 H new ATOM 0 HB2 SER A 59 -9.842 -4.566 -7.988 1.00 0.00 H new ATOM 0 HB3 SER A 59 -9.215 -3.018 -8.516 1.00 0.00 H new ATOM 0 HG SER A 59 -10.570 -4.007 -10.116 1.00 0.00 H new ATOM 832 N ILE A 60 -8.183 -6.203 -6.760 1.00 0.00 N ATOM 833 CA ILE A 60 -8.261 -7.519 -6.141 1.00 0.00 C ATOM 834 C ILE A 60 -9.187 -7.499 -4.927 1.00 0.00 C ATOM 835 O ILE A 60 -9.342 -6.468 -4.274 1.00 0.00 O ATOM 836 CB ILE A 60 -6.864 -8.020 -5.705 1.00 0.00 C ATOM 837 CG1 ILE A 60 -6.820 -9.552 -5.722 1.00 0.00 C ATOM 838 CG2 ILE A 60 -6.503 -7.485 -4.323 1.00 0.00 C ATOM 839 CD1 ILE A 60 -5.689 -10.140 -4.904 1.00 0.00 C ATOM 0 H ILE A 60 -8.457 -5.434 -6.148 1.00 0.00 H new ATOM 0 HA ILE A 60 -8.664 -8.200 -6.890 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.126 -7.644 -6.414 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.767 -9.938 -5.345 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.725 -9.892 -6.753 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.517 -7.851 -4.038 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.494 -6.395 -4.346 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.241 -7.826 -3.597 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.723 -11.228 -4.965 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.735 -9.785 -5.294 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.793 -9.831 -3.864 1.00 0.00 H new ATOM 851 N ALA A 61 -9.785 -8.644 -4.620 1.00 0.00 N ATOM 852 CA ALA A 61 -10.674 -8.746 -3.472 1.00 0.00 C ATOM 853 C ALA A 61 -9.891 -8.536 -2.180 1.00 0.00 C ATOM 854 O ALA A 61 -8.763 -9.010 -2.046 1.00 0.00 O ATOM 855 CB ALA A 61 -11.380 -10.095 -3.462 1.00 0.00 C ATOM 0 H ALA A 61 -9.671 -9.510 -5.147 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.433 -7.967 -3.547 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -12.040 -10.154 -2.597 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.966 -10.206 -4.374 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.639 -10.893 -3.408 1.00 0.00 H new ATOM 861 N SER A 62 -10.487 -7.819 -1.237 1.00 0.00 N ATOM 862 CA SER A 62 -9.834 -7.540 0.038 1.00 0.00 C ATOM 863 C SER A 62 -9.581 -8.819 0.835 1.00 0.00 C ATOM 864 O SER A 62 -8.829 -8.810 1.809 1.00 0.00 O ATOM 865 CB SER A 62 -10.680 -6.570 0.864 1.00 0.00 C ATOM 866 OG SER A 62 -11.775 -7.236 1.470 1.00 0.00 O ATOM 0 H SER A 62 -11.421 -7.420 -1.329 1.00 0.00 H new ATOM 0 HA SER A 62 -8.868 -7.084 -0.180 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.061 -6.107 1.633 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.047 -5.767 0.224 1.00 0.00 H new ATOM 0 HG SER A 62 -12.299 -6.594 1.994 1.00 0.00 H new ATOM 872 N GLU A 63 -10.209 -9.917 0.424 1.00 0.00 N ATOM 873 CA GLU A 63 -10.040 -11.192 1.112 1.00 0.00 C ATOM 874 C GLU A 63 -8.821 -11.948 0.587 1.00 0.00 C ATOM 875 O GLU A 63 -8.337 -12.880 1.230 1.00 0.00 O ATOM 876 CB GLU A 63 -11.296 -12.054 0.959 1.00 0.00 C ATOM 877 CG GLU A 63 -11.870 -12.057 -0.450 1.00 0.00 C ATOM 878 CD GLU A 63 -12.716 -13.283 -0.732 1.00 0.00 C ATOM 879 OE1 GLU A 63 -12.410 -14.357 -0.172 1.00 0.00 O ATOM 880 OE2 GLU A 63 -13.684 -13.169 -1.512 1.00 0.00 O ATOM 0 H GLU A 63 -10.837 -9.949 -0.379 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.880 -10.980 2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.060 -13.078 1.247 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.058 -11.696 1.651 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.475 -11.162 -0.594 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.054 -12.010 -1.171 1.00 0.00 H new ATOM 887 N LEU A 64 -8.326 -11.547 -0.582 1.00 0.00 N ATOM 888 CA LEU A 64 -7.170 -12.192 -1.181 1.00 0.00 C ATOM 889 C LEU A 64 -5.875 -11.455 -0.837 1.00 0.00 C ATOM 890 O LEU A 64 -4.793 -11.863 -1.257 1.00 0.00 O ATOM 891 CB LEU A 64 -7.327 -12.264 -2.700 1.00 0.00 C ATOM 892 CG LEU A 64 -8.757 -12.146 -3.224 1.00 0.00 C ATOM 893 CD1 LEU A 64 -8.772 -12.138 -4.745 1.00 0.00 C ATOM 894 CD2 LEU A 64 -9.612 -13.280 -2.687 1.00 0.00 C ATOM 0 H LEU A 64 -8.711 -10.778 -1.130 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.111 -13.201 -0.772 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.729 -11.470 -3.147 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.910 -13.210 -3.046 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.176 -11.202 -2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.800 -12.053 -5.098 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.192 -11.291 -5.110 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.335 -13.064 -5.118 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.628 -13.182 -3.069 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.194 -14.234 -3.008 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.629 -13.239 -1.598 1.00 0.00 H new ATOM 906 N ILE A 65 -5.989 -10.366 -0.083 1.00 0.00 N ATOM 907 CA ILE A 65 -4.820 -9.582 0.297 1.00 0.00 C ATOM 908 C ILE A 65 -3.949 -10.334 1.298 1.00 0.00 C ATOM 909 O ILE A 65 -2.800 -10.668 1.009 1.00 0.00 O ATOM 910 CB ILE A 65 -5.221 -8.224 0.904 1.00 0.00 C ATOM 911 CG1 ILE A 65 -6.256 -7.525 0.017 1.00 0.00 C ATOM 912 CG2 ILE A 65 -3.992 -7.346 1.085 1.00 0.00 C ATOM 913 CD1 ILE A 65 -6.678 -6.168 0.538 1.00 0.00 C ATOM 0 H ILE A 65 -6.874 -10.008 0.275 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.252 -9.409 -0.617 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.670 -8.398 1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.845 -7.409 -0.986 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.136 -8.162 -0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.289 -6.389 1.515 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.287 -7.841 1.753 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.519 -7.178 0.117 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.412 -5.731 -0.139 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.119 -6.280 1.528 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.807 -5.515 0.600 1.00 0.00 H new ATOM 925 N GLU A 66 -4.500 -10.593 2.478 1.00 0.00 N ATOM 926 CA GLU A 66 -3.774 -11.297 3.526 1.00 0.00 C ATOM 927 C GLU A 66 -3.365 -12.700 3.077 1.00 0.00 C ATOM 928 O GLU A 66 -2.471 -13.309 3.662 1.00 0.00 O ATOM 929 CB GLU A 66 -4.633 -11.383 4.787 1.00 0.00 C ATOM 930 CG GLU A 66 -6.074 -11.786 4.522 1.00 0.00 C ATOM 931 CD GLU A 66 -6.609 -12.752 5.560 1.00 0.00 C ATOM 932 OE1 GLU A 66 -6.325 -12.553 6.760 1.00 0.00 O ATOM 933 OE2 GLU A 66 -7.312 -13.710 5.174 1.00 0.00 O ATOM 0 H GLU A 66 -5.451 -10.325 2.733 1.00 0.00 H new ATOM 0 HA GLU A 66 -2.865 -10.735 3.742 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.185 -12.102 5.472 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.623 -10.415 5.289 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.700 -10.894 4.505 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.144 -12.243 3.535 1.00 0.00 H new ATOM 940 N LYS A 67 -4.027 -13.210 2.041 1.00 0.00 N ATOM 941 CA LYS A 67 -3.728 -14.543 1.527 1.00 0.00 C ATOM 942 C LYS A 67 -2.757 -14.484 0.350 1.00 0.00 C ATOM 943 O LYS A 67 -1.694 -15.105 0.379 1.00 0.00 O ATOM 944 CB LYS A 67 -5.017 -15.248 1.098 1.00 0.00 C ATOM 945 CG LYS A 67 -6.084 -15.278 2.182 1.00 0.00 C ATOM 946 CD LYS A 67 -6.371 -16.700 2.646 1.00 0.00 C ATOM 947 CE LYS A 67 -7.381 -17.389 1.742 1.00 0.00 C ATOM 948 NZ LYS A 67 -6.887 -18.709 1.262 1.00 0.00 N ATOM 0 H LYS A 67 -4.771 -12.722 1.543 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.255 -15.108 2.331 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.419 -14.747 0.217 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.781 -16.271 0.803 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.759 -14.676 3.031 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.001 -14.826 1.804 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.444 -17.273 2.660 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.750 -16.681 3.668 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.317 -17.527 2.283 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.598 -16.750 0.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.604 -19.146 0.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.007 -18.576 0.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.704 -19.329 2.077 1.00 0.00 H new ATOM 962 N ARG A 68 -3.131 -13.743 -0.688 1.00 0.00 N ATOM 963 CA ARG A 68 -2.294 -13.613 -1.877 1.00 0.00 C ATOM 964 C ARG A 68 -1.252 -12.511 -1.707 1.00 0.00 C ATOM 965 O ARG A 68 -0.050 -12.775 -1.722 1.00 0.00 O ATOM 966 CB ARG A 68 -3.157 -13.326 -3.108 1.00 0.00 C ATOM 967 CG ARG A 68 -4.382 -14.217 -3.211 1.00 0.00 C ATOM 968 CD ARG A 68 -4.970 -14.195 -4.613 1.00 0.00 C ATOM 969 NE ARG A 68 -5.459 -15.511 -5.021 1.00 0.00 N ATOM 970 CZ ARG A 68 -6.319 -15.707 -6.018 1.00 0.00 C ATOM 971 NH1 ARG A 68 -6.794 -14.676 -6.706 1.00 0.00 N ATOM 972 NH2 ARG A 68 -6.708 -16.938 -6.325 1.00 0.00 N ATOM 0 H ARG A 68 -4.008 -13.223 -0.731 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.770 -14.559 -2.017 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.477 -12.284 -3.083 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.550 -13.452 -4.005 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.113 -15.239 -2.944 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.134 -13.887 -2.494 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.788 -13.476 -4.652 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.212 -13.855 -5.319 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.121 -16.327 -4.511 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.500 -13.728 -6.472 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.453 -14.832 -7.469 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.348 -17.733 -5.797 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.367 -17.089 -7.089 1.00 0.00 H new ATOM 986 N CYS A 69 -1.719 -11.276 -1.549 1.00 0.00 N ATOM 987 CA CYS A 69 -0.823 -10.137 -1.381 1.00 0.00 C ATOM 988 C CYS A 69 0.117 -10.353 -0.199 1.00 0.00 C ATOM 989 O CYS A 69 -0.319 -10.701 0.898 1.00 0.00 O ATOM 990 CB CYS A 69 -1.626 -8.851 -1.182 1.00 0.00 C ATOM 991 SG CYS A 69 -2.605 -8.364 -2.621 1.00 0.00 S ATOM 0 H CYS A 69 -2.711 -11.039 -1.534 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.223 -10.044 -2.286 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.292 -8.979 -0.329 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -0.940 -8.042 -0.932 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.699 -7.783 -2.225 1.00 0.00 H new ATOM 997 N ARG A 70 1.409 -10.149 -0.432 1.00 0.00 N ATOM 998 CA ARG A 70 2.409 -10.325 0.612 1.00 0.00 C ATOM 999 C ARG A 70 2.624 -9.029 1.388 1.00 0.00 C ATOM 1000 O ARG A 70 2.786 -9.047 2.608 1.00 0.00 O ATOM 1001 CB ARG A 70 3.733 -10.797 0.004 1.00 0.00 C ATOM 1002 CG ARG A 70 4.157 -12.181 0.471 1.00 0.00 C ATOM 1003 CD ARG A 70 5.666 -12.276 0.639 1.00 0.00 C ATOM 1004 NE ARG A 70 6.228 -13.406 -0.098 1.00 0.00 N ATOM 1005 CZ ARG A 70 6.311 -13.457 -1.425 1.00 0.00 C ATOM 1006 NH1 ARG A 70 5.868 -12.447 -2.164 1.00 0.00 N ATOM 1007 NH2 ARG A 70 6.838 -14.521 -2.016 1.00 0.00 N ATOM 0 H ARG A 70 1.787 -9.862 -1.335 1.00 0.00 H new ATOM 0 HA ARG A 70 2.044 -11.083 1.305 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.644 -10.801 -1.082 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.515 -10.081 0.257 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.669 -12.411 1.418 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.823 -12.927 -0.250 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.128 -11.351 0.293 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.908 -12.377 1.697 1.00 0.00 H new ATOM 0 HE ARG A 70 6.577 -14.202 0.436 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.461 -11.626 -1.715 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.934 -12.492 -3.181 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.180 -15.300 -1.453 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.902 -14.560 -3.033 1.00 0.00 H new ATOM 1021 N ARG A 71 2.628 -7.908 0.675 1.00 0.00 N ATOM 1022 CA ARG A 71 2.830 -6.608 1.307 1.00 0.00 C ATOM 1023 C ARG A 71 1.627 -5.694 1.085 1.00 0.00 C ATOM 1024 O ARG A 71 0.858 -5.869 0.139 1.00 0.00 O ATOM 1025 CB ARG A 71 4.101 -5.945 0.771 1.00 0.00 C ATOM 1026 CG ARG A 71 4.353 -6.209 -0.704 1.00 0.00 C ATOM 1027 CD ARG A 71 5.218 -7.442 -0.913 1.00 0.00 C ATOM 1028 NE ARG A 71 6.514 -7.326 -0.247 1.00 0.00 N ATOM 1029 CZ ARG A 71 7.501 -8.207 -0.390 1.00 0.00 C ATOM 1030 NH1 ARG A 71 7.344 -9.267 -1.175 1.00 0.00 N ATOM 1031 NH2 ARG A 71 8.648 -8.028 0.251 1.00 0.00 N ATOM 0 H ARG A 71 2.494 -7.872 -0.336 1.00 0.00 H new ATOM 0 HA ARG A 71 2.941 -6.771 2.379 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.034 -4.869 0.932 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.956 -6.301 1.346 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.401 -6.340 -1.218 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.840 -5.342 -1.151 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.694 -8.320 -0.535 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.373 -7.599 -1.981 1.00 0.00 H new ATOM 0 HE ARG A 71 6.671 -6.523 0.363 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.464 -9.408 -1.671 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.103 -9.940 -1.282 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.774 -7.215 0.854 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.404 -8.703 0.141 1.00 0.00 H new ATOM 1045 N MET A 72 1.470 -4.715 1.970 1.00 0.00 N ATOM 1046 CA MET A 72 0.363 -3.774 1.878 1.00 0.00 C ATOM 1047 C MET A 72 0.879 -2.348 1.730 1.00 0.00 C ATOM 1048 O MET A 72 1.958 -2.009 2.216 1.00 0.00 O ATOM 1049 CB MET A 72 -0.529 -3.884 3.117 1.00 0.00 C ATOM 1050 CG MET A 72 -1.846 -4.598 2.855 1.00 0.00 C ATOM 1051 SD MET A 72 -2.378 -5.607 4.251 1.00 0.00 S ATOM 1052 CE MET A 72 -2.230 -7.251 3.556 1.00 0.00 C ATOM 0 H MET A 72 2.096 -4.554 2.759 1.00 0.00 H new ATOM 0 HA MET A 72 -0.225 -4.022 0.994 1.00 0.00 H new ATOM 0 HB2 MET A 72 0.013 -4.415 3.899 1.00 0.00 H new ATOM 0 HB3 MET A 72 -0.736 -2.883 3.496 1.00 0.00 H new ATOM 0 HG2 MET A 72 -2.616 -3.860 2.630 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.743 -5.230 1.973 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.221 -7.694 3.456 1.00 0.00 H new ATOM 0 HE2 MET A 72 -1.759 -7.190 2.575 1.00 0.00 H new ATOM 0 HE3 MET A 72 -1.620 -7.870 4.214 1.00 0.00 H new ATOM 1062 N VAL A 73 0.096 -1.513 1.064 1.00 0.00 N ATOM 1063 CA VAL A 73 0.466 -0.124 0.858 1.00 0.00 C ATOM 1064 C VAL A 73 -0.656 0.792 1.322 1.00 0.00 C ATOM 1065 O VAL A 73 -1.602 1.058 0.580 1.00 0.00 O ATOM 1066 CB VAL A 73 0.789 0.159 -0.621 1.00 0.00 C ATOM 1067 CG1 VAL A 73 1.277 1.589 -0.799 1.00 0.00 C ATOM 1068 CG2 VAL A 73 1.819 -0.831 -1.140 1.00 0.00 C ATOM 0 H VAL A 73 -0.802 -1.775 0.657 1.00 0.00 H new ATOM 0 HA VAL A 73 1.363 0.071 1.446 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.125 0.038 -1.203 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.500 1.769 -1.851 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.503 2.281 -0.468 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.178 1.742 -0.206 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.035 -0.616 -2.187 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.735 -0.744 -0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.427 -1.844 -1.051 1.00 0.00 H new ATOM 1078 N VAL A 74 -0.547 1.262 2.557 1.00 0.00 N ATOM 1079 CA VAL A 74 -1.556 2.140 3.128 1.00 0.00 C ATOM 1080 C VAL A 74 -1.217 3.601 2.876 1.00 0.00 C ATOM 1081 O VAL A 74 -0.052 3.995 2.918 1.00 0.00 O ATOM 1082 CB VAL A 74 -1.707 1.913 4.646 1.00 0.00 C ATOM 1083 CG1 VAL A 74 -3.002 2.529 5.152 1.00 0.00 C ATOM 1084 CG2 VAL A 74 -1.652 0.429 4.976 1.00 0.00 C ATOM 0 H VAL A 74 0.231 1.049 3.182 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.499 1.898 2.637 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.875 2.404 5.150 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.091 2.359 6.225 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.997 3.601 4.954 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.848 2.070 4.640 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.760 0.291 6.052 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.461 -0.089 4.461 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.695 0.020 4.652 1.00 0.00 H new ATOM 1094 N VAL A 75 -2.241 4.402 2.615 1.00 0.00 N ATOM 1095 CA VAL A 75 -2.049 5.822 2.360 1.00 0.00 C ATOM 1096 C VAL A 75 -2.742 6.658 3.433 1.00 0.00 C ATOM 1097 O VAL A 75 -3.946 6.902 3.364 1.00 0.00 O ATOM 1098 CB VAL A 75 -2.579 6.219 0.966 1.00 0.00 C ATOM 1099 CG1 VAL A 75 -2.490 7.724 0.754 1.00 0.00 C ATOM 1100 CG2 VAL A 75 -1.816 5.477 -0.121 1.00 0.00 C ATOM 0 H VAL A 75 -3.212 4.093 2.574 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.977 6.019 2.389 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.630 5.936 0.908 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.870 7.975 -0.236 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.085 8.234 1.511 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.451 8.042 0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.201 5.767 -1.099 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.757 5.728 -0.059 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -1.942 4.403 0.014 1.00 0.00 H new ATOM 1110 N VAL A 76 -1.972 7.085 4.430 1.00 0.00 N ATOM 1111 CA VAL A 76 -2.509 7.884 5.527 1.00 0.00 C ATOM 1112 C VAL A 76 -2.655 9.350 5.128 1.00 0.00 C ATOM 1113 O VAL A 76 -1.687 10.110 5.143 1.00 0.00 O ATOM 1114 CB VAL A 76 -1.618 7.785 6.780 1.00 0.00 C ATOM 1115 CG1 VAL A 76 -0.210 8.280 6.483 1.00 0.00 C ATOM 1116 CG2 VAL A 76 -2.231 8.558 7.940 1.00 0.00 C ATOM 0 H VAL A 76 -0.973 6.891 4.501 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.495 7.480 5.758 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.553 6.736 7.068 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.401 8.201 7.382 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.229 7.673 5.691 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.250 9.321 6.163 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.585 8.475 8.814 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.334 9.607 7.664 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.213 8.146 8.173 1.00 0.00 H new ATOM 1126 N SER A 77 -3.876 9.742 4.780 1.00 0.00 N ATOM 1127 CA SER A 77 -4.153 11.117 4.388 1.00 0.00 C ATOM 1128 C SER A 77 -5.350 11.671 5.153 1.00 0.00 C ATOM 1129 O SER A 77 -6.240 10.923 5.557 1.00 0.00 O ATOM 1130 CB SER A 77 -4.412 11.199 2.881 1.00 0.00 C ATOM 1131 OG SER A 77 -5.782 10.988 2.583 1.00 0.00 O ATOM 0 H SER A 77 -4.689 9.126 4.762 1.00 0.00 H new ATOM 0 HA SER A 77 -3.279 11.720 4.632 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.103 12.176 2.509 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.806 10.455 2.364 1.00 0.00 H new ATOM 0 HG SER A 77 -5.860 10.458 1.763 1.00 0.00 H new ATOM 1137 N ASP A 78 -5.364 12.988 5.346 1.00 0.00 N ATOM 1138 CA ASP A 78 -6.450 13.666 6.056 1.00 0.00 C ATOM 1139 C ASP A 78 -7.815 13.090 5.684 1.00 0.00 C ATOM 1140 O ASP A 78 -8.557 12.603 6.538 1.00 0.00 O ATOM 1141 CB ASP A 78 -6.429 15.160 5.725 1.00 0.00 C ATOM 1142 CG ASP A 78 -6.329 16.029 6.957 1.00 0.00 C ATOM 1143 OD1 ASP A 78 -5.198 16.270 7.422 1.00 0.00 O ATOM 1144 OD2 ASP A 78 -7.384 16.473 7.460 1.00 0.00 O ATOM 0 H ASP A 78 -4.628 13.614 5.017 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.294 13.512 7.124 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.585 15.370 5.068 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.334 15.419 5.175 1.00 0.00 H new ATOM 1149 N ASP A 79 -8.137 13.171 4.399 1.00 0.00 N ATOM 1150 CA ASP A 79 -9.411 12.686 3.877 1.00 0.00 C ATOM 1151 C ASP A 79 -9.622 11.192 4.137 1.00 0.00 C ATOM 1152 O ASP A 79 -10.729 10.682 3.965 1.00 0.00 O ATOM 1153 CB ASP A 79 -9.493 12.961 2.375 1.00 0.00 C ATOM 1154 CG ASP A 79 -9.885 14.392 2.070 1.00 0.00 C ATOM 1155 OD1 ASP A 79 -9.002 15.273 2.113 1.00 0.00 O ATOM 1156 OD2 ASP A 79 -11.078 14.632 1.784 1.00 0.00 O ATOM 0 H ASP A 79 -7.525 13.574 3.690 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.200 13.223 4.404 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.528 12.746 1.916 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.219 12.284 1.924 1.00 0.00 H new ATOM 1161 N TYR A 80 -8.566 10.487 4.537 1.00 0.00 N ATOM 1162 CA TYR A 80 -8.668 9.056 4.797 1.00 0.00 C ATOM 1163 C TYR A 80 -8.985 8.776 6.260 1.00 0.00 C ATOM 1164 O TYR A 80 -9.664 7.800 6.582 1.00 0.00 O ATOM 1165 CB TYR A 80 -7.365 8.355 4.403 1.00 0.00 C ATOM 1166 CG TYR A 80 -7.382 6.858 4.629 1.00 0.00 C ATOM 1167 CD1 TYR A 80 -8.516 6.106 4.353 1.00 0.00 C ATOM 1168 CD2 TYR A 80 -6.263 6.199 5.121 1.00 0.00 C ATOM 1169 CE1 TYR A 80 -8.534 4.740 4.557 1.00 0.00 C ATOM 1170 CE2 TYR A 80 -6.272 4.833 5.327 1.00 0.00 C ATOM 1171 CZ TYR A 80 -7.410 4.109 5.045 1.00 0.00 C ATOM 1172 OH TYR A 80 -7.423 2.748 5.250 1.00 0.00 O ATOM 0 H TYR A 80 -7.637 10.881 4.687 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.487 8.665 4.194 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -7.162 8.551 3.350 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -6.543 8.789 4.973 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -9.399 6.597 3.972 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -5.371 6.764 5.346 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -9.424 4.170 4.335 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.392 4.335 5.707 1.00 0.00 H new ATOM 0 HH TYR A 80 -6.706 2.504 5.871 1.00 0.00 H new ATOM 1182 N LEU A 81 -8.486 9.629 7.144 1.00 0.00 N ATOM 1183 CA LEU A 81 -8.708 9.466 8.568 1.00 0.00 C ATOM 1184 C LEU A 81 -10.086 9.968 8.973 1.00 0.00 C ATOM 1185 O LEU A 81 -10.690 9.458 9.916 1.00 0.00 O ATOM 1186 CB LEU A 81 -7.627 10.209 9.342 1.00 0.00 C ATOM 1187 CG LEU A 81 -6.211 9.705 9.097 1.00 0.00 C ATOM 1188 CD1 LEU A 81 -5.187 10.798 9.351 1.00 0.00 C ATOM 1189 CD2 LEU A 81 -5.933 8.512 9.979 1.00 0.00 C ATOM 0 H LEU A 81 -7.923 10.443 6.896 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.659 8.403 8.805 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.673 11.266 9.080 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.846 10.135 10.407 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.129 9.407 8.052 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.186 10.408 9.168 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.377 11.638 8.682 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.262 11.134 10.385 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.919 8.155 9.800 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.037 8.801 11.025 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.643 7.717 9.750 1.00 0.00 H new ATOM 1201 N GLN A 82 -10.581 10.965 8.253 1.00 0.00 N ATOM 1202 CA GLN A 82 -11.890 11.527 8.537 1.00 0.00 C ATOM 1203 C GLN A 82 -12.998 10.529 8.205 1.00 0.00 C ATOM 1204 O GLN A 82 -14.156 10.732 8.571 1.00 0.00 O ATOM 1205 CB GLN A 82 -12.093 12.811 7.740 1.00 0.00 C ATOM 1206 CG GLN A 82 -11.740 12.675 6.269 1.00 0.00 C ATOM 1207 CD GLN A 82 -12.591 13.560 5.379 1.00 0.00 C ATOM 1208 OE1 GLN A 82 -13.110 14.587 5.819 1.00 0.00 O ATOM 1209 NE2 GLN A 82 -12.741 13.164 4.121 1.00 0.00 N ATOM 0 H GLN A 82 -10.095 11.400 7.469 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.939 11.753 9.602 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -13.134 13.123 7.828 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -11.485 13.602 8.180 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.689 12.927 6.127 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.862 11.636 5.965 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -12.293 12.306 3.799 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -13.305 13.718 3.476 1.00 0.00 H new ATOM 1218 N SER A 83 -12.639 9.452 7.509 1.00 0.00 N ATOM 1219 CA SER A 83 -13.608 8.431 7.129 1.00 0.00 C ATOM 1220 C SER A 83 -13.455 7.181 7.990 1.00 0.00 C ATOM 1221 O SER A 83 -12.412 6.960 8.606 1.00 0.00 O ATOM 1222 CB SER A 83 -13.446 8.070 5.651 1.00 0.00 C ATOM 1223 OG SER A 83 -12.392 7.141 5.466 1.00 0.00 O ATOM 0 H SER A 83 -11.686 9.266 7.198 1.00 0.00 H new ATOM 0 HA SER A 83 -14.606 8.838 7.291 1.00 0.00 H new ATOM 0 HB2 SER A 83 -14.377 7.649 5.272 1.00 0.00 H new ATOM 0 HB3 SER A 83 -13.246 8.972 5.073 1.00 0.00 H new ATOM 0 HG SER A 83 -12.439 6.769 4.561 1.00 0.00 H new ATOM 1229 N LYS A 84 -14.504 6.366 8.024 1.00 0.00 N ATOM 1230 CA LYS A 84 -14.496 5.137 8.803 1.00 0.00 C ATOM 1231 C LYS A 84 -13.678 4.051 8.106 1.00 0.00 C ATOM 1232 O LYS A 84 -13.201 3.117 8.748 1.00 0.00 O ATOM 1233 CB LYS A 84 -15.928 4.650 9.023 1.00 0.00 C ATOM 1234 CG LYS A 84 -16.769 4.635 7.757 1.00 0.00 C ATOM 1235 CD LYS A 84 -17.666 5.859 7.667 1.00 0.00 C ATOM 1236 CE LYS A 84 -17.630 6.476 6.276 1.00 0.00 C ATOM 1237 NZ LYS A 84 -18.497 7.683 6.182 1.00 0.00 N ATOM 0 H LYS A 84 -15.373 6.537 7.518 1.00 0.00 H new ATOM 0 HA LYS A 84 -14.033 5.347 9.767 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -15.900 3.644 9.442 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -16.411 5.290 9.762 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -16.115 4.597 6.886 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -17.380 3.733 7.736 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -18.690 5.580 7.916 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -17.349 6.598 8.402 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -16.604 6.745 6.025 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -17.955 5.738 5.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -18.445 8.074 5.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -19.480 7.422 6.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -18.172 8.398 6.864 1.00 0.00 H new ATOM 1251 N GLU A 85 -13.521 4.182 6.792 1.00 0.00 N ATOM 1252 CA GLU A 85 -12.758 3.212 6.010 1.00 0.00 C ATOM 1253 C GLU A 85 -11.371 3.008 6.609 1.00 0.00 C ATOM 1254 O GLU A 85 -10.820 1.907 6.564 1.00 0.00 O ATOM 1255 CB GLU A 85 -12.637 3.678 4.558 1.00 0.00 C ATOM 1256 CG GLU A 85 -13.971 4.007 3.912 1.00 0.00 C ATOM 1257 CD GLU A 85 -14.050 3.553 2.467 1.00 0.00 C ATOM 1258 OE1 GLU A 85 -13.706 2.382 2.194 1.00 0.00 O ATOM 1259 OE2 GLU A 85 -14.453 4.366 1.610 1.00 0.00 O ATOM 0 H GLU A 85 -13.911 4.950 6.246 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.290 2.261 6.034 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.997 4.560 4.520 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.143 2.900 3.976 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.772 3.535 4.481 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.138 5.083 3.960 1.00 0.00 H new ATOM 1266 N CYS A 86 -10.817 4.073 7.179 1.00 0.00 N ATOM 1267 CA CYS A 86 -9.501 4.009 7.796 1.00 0.00 C ATOM 1268 C CYS A 86 -9.593 3.370 9.175 1.00 0.00 C ATOM 1269 O CYS A 86 -8.665 2.695 9.620 1.00 0.00 O ATOM 1270 CB CYS A 86 -8.891 5.408 7.903 1.00 0.00 C ATOM 1271 SG CYS A 86 -7.272 5.451 8.707 1.00 0.00 S ATOM 0 H CYS A 86 -11.261 4.990 7.225 1.00 0.00 H new ATOM 0 HA CYS A 86 -8.856 3.395 7.168 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -8.798 5.829 6.902 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -9.576 6.050 8.457 1.00 0.00 H new ATOM 0 HG CYS A 86 -6.343 5.229 7.825 1.00 0.00 H new ATOM 1277 N ASP A 87 -10.725 3.577 9.845 1.00 0.00 N ATOM 1278 CA ASP A 87 -10.937 3.011 11.170 1.00 0.00 C ATOM 1279 C ASP A 87 -10.893 1.491 11.104 1.00 0.00 C ATOM 1280 O ASP A 87 -10.264 0.840 11.937 1.00 0.00 O ATOM 1281 CB ASP A 87 -12.277 3.475 11.743 1.00 0.00 C ATOM 1282 CG ASP A 87 -12.281 4.955 12.074 1.00 0.00 C ATOM 1283 OD1 ASP A 87 -11.608 5.725 11.359 1.00 0.00 O ATOM 1284 OD2 ASP A 87 -12.960 5.342 13.049 1.00 0.00 O ATOM 0 H ASP A 87 -11.505 4.131 9.491 1.00 0.00 H new ATOM 0 HA ASP A 87 -10.140 3.359 11.827 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -13.069 3.264 11.025 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.502 2.903 12.643 1.00 0.00 H new ATOM 1289 N PHE A 88 -11.547 0.935 10.092 1.00 0.00 N ATOM 1290 CA PHE A 88 -11.567 -0.506 9.898 1.00 0.00 C ATOM 1291 C PHE A 88 -10.172 -0.985 9.521 1.00 0.00 C ATOM 1292 O PHE A 88 -9.665 -1.965 10.071 1.00 0.00 O ATOM 1293 CB PHE A 88 -12.569 -0.885 8.807 1.00 0.00 C ATOM 1294 CG PHE A 88 -12.856 -2.359 8.741 1.00 0.00 C ATOM 1295 CD1 PHE A 88 -13.567 -2.984 9.752 1.00 0.00 C ATOM 1296 CD2 PHE A 88 -12.414 -3.117 7.668 1.00 0.00 C ATOM 1297 CE1 PHE A 88 -13.833 -4.339 9.695 1.00 0.00 C ATOM 1298 CE2 PHE A 88 -12.677 -4.473 7.606 1.00 0.00 C ATOM 1299 CZ PHE A 88 -13.387 -5.083 8.621 1.00 0.00 C ATOM 0 H PHE A 88 -12.071 1.462 9.393 1.00 0.00 H new ATOM 0 HA PHE A 88 -11.875 -0.987 10.827 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -13.502 -0.349 8.980 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -12.185 -0.554 7.842 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -13.917 -2.406 10.594 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -11.858 -2.643 6.872 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -14.389 -4.815 10.489 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.328 -5.054 6.765 1.00 0.00 H new ATOM 0 HZ PHE A 88 -13.593 -6.142 8.575 1.00 0.00 H new ATOM 1309 N GLN A 89 -9.544 -0.265 8.595 1.00 0.00 N ATOM 1310 CA GLN A 89 -8.195 -0.589 8.159 1.00 0.00 C ATOM 1311 C GLN A 89 -7.259 -0.607 9.362 1.00 0.00 C ATOM 1312 O GLN A 89 -6.423 -1.494 9.500 1.00 0.00 O ATOM 1313 CB GLN A 89 -7.716 0.430 7.123 1.00 0.00 C ATOM 1314 CG GLN A 89 -6.331 0.135 6.573 1.00 0.00 C ATOM 1315 CD GLN A 89 -5.267 1.034 7.166 1.00 0.00 C ATOM 1316 OE1 GLN A 89 -5.419 2.254 7.208 1.00 0.00 O ATOM 1317 NE2 GLN A 89 -4.180 0.430 7.632 1.00 0.00 N ATOM 0 H GLN A 89 -9.952 0.548 8.133 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.194 -1.576 7.696 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.427 0.457 6.297 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.714 1.422 7.575 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -6.077 -0.905 6.776 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.341 0.255 5.490 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -4.097 -0.585 7.576 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -3.428 0.981 8.046 1.00 0.00 H new ATOM 1326 N THR A 90 -7.433 0.378 10.240 1.00 0.00 N ATOM 1327 CA THR A 90 -6.636 0.488 11.454 1.00 0.00 C ATOM 1328 C THR A 90 -6.687 -0.795 12.248 1.00 0.00 C ATOM 1329 O THR A 90 -5.672 -1.460 12.414 1.00 0.00 O ATOM 1330 CB THR A 90 -7.134 1.659 12.306 1.00 0.00 C ATOM 1331 OG1 THR A 90 -7.170 2.860 11.552 1.00 0.00 O ATOM 1332 CG2 THR A 90 -6.287 1.919 13.533 1.00 0.00 C ATOM 0 H THR A 90 -8.127 1.117 10.129 1.00 0.00 H new ATOM 0 HA THR A 90 -5.600 0.672 11.170 1.00 0.00 H new ATOM 0 HB THR A 90 -8.133 1.364 12.628 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.018 2.914 11.064 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.699 2.762 14.088 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.285 1.033 14.168 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.266 2.150 13.228 1.00 0.00 H new ATOM 1340 N LYS A 91 -7.864 -1.143 12.736 1.00 0.00 N ATOM 1341 CA LYS A 91 -8.022 -2.356 13.522 1.00 0.00 C ATOM 1342 C LYS A 91 -7.398 -3.556 12.817 1.00 0.00 C ATOM 1343 O LYS A 91 -6.977 -4.515 13.463 1.00 0.00 O ATOM 1344 CB LYS A 91 -9.501 -2.619 13.810 1.00 0.00 C ATOM 1345 CG LYS A 91 -9.970 -2.055 15.142 1.00 0.00 C ATOM 1346 CD LYS A 91 -10.020 -0.536 15.116 1.00 0.00 C ATOM 1347 CE LYS A 91 -10.182 0.040 16.513 1.00 0.00 C ATOM 1348 NZ LYS A 91 -9.161 -0.494 17.456 1.00 0.00 N ATOM 0 H LYS A 91 -8.721 -0.607 12.604 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.500 -2.211 14.468 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.101 -2.186 13.010 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.680 -3.694 13.797 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.959 -2.449 15.377 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.299 -2.385 15.935 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.106 -0.149 14.665 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -10.849 -0.209 14.488 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -10.103 1.126 16.469 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.179 -0.192 16.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.891 0.248 18.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -9.556 -1.306 17.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -8.321 -0.798 16.923 1.00 0.00 H new ATOM 1362 N PHE A 92 -7.332 -3.494 11.493 1.00 0.00 N ATOM 1363 CA PHE A 92 -6.743 -4.575 10.719 1.00 0.00 C ATOM 1364 C PHE A 92 -5.250 -4.341 10.506 1.00 0.00 C ATOM 1365 O PHE A 92 -4.493 -5.281 10.266 1.00 0.00 O ATOM 1366 CB PHE A 92 -7.452 -4.715 9.370 1.00 0.00 C ATOM 1367 CG PHE A 92 -7.381 -6.100 8.794 1.00 0.00 C ATOM 1368 CD1 PHE A 92 -7.791 -7.195 9.538 1.00 0.00 C ATOM 1369 CD2 PHE A 92 -6.907 -6.307 7.510 1.00 0.00 C ATOM 1370 CE1 PHE A 92 -7.727 -8.471 9.011 1.00 0.00 C ATOM 1371 CE2 PHE A 92 -6.841 -7.580 6.976 1.00 0.00 C ATOM 1372 CZ PHE A 92 -7.252 -8.664 7.729 1.00 0.00 C ATOM 0 H PHE A 92 -7.677 -2.711 10.937 1.00 0.00 H new ATOM 0 HA PHE A 92 -6.869 -5.500 11.281 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -8.498 -4.433 9.488 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.010 -4.013 8.662 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -8.165 -7.050 10.541 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.585 -5.463 6.918 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -8.048 -9.316 9.601 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.469 -7.728 5.973 1.00 0.00 H new ATOM 0 HZ PHE A 92 -7.202 -9.660 7.315 1.00 0.00 H new ATOM 1382 N ALA A 93 -4.833 -3.082 10.600 1.00 0.00 N ATOM 1383 CA ALA A 93 -3.431 -2.725 10.421 1.00 0.00 C ATOM 1384 C ALA A 93 -2.691 -2.736 11.754 1.00 0.00 C ATOM 1385 O ALA A 93 -1.490 -2.995 11.810 1.00 0.00 O ATOM 1386 CB ALA A 93 -3.313 -1.365 9.759 1.00 0.00 C ATOM 0 H ALA A 93 -5.447 -2.292 10.799 1.00 0.00 H new ATOM 0 HA ALA A 93 -2.970 -3.470 9.773 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.260 -1.112 9.632 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -3.800 -1.391 8.784 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.794 -0.613 10.385 1.00 0.00 H new ATOM 1392 N LEU A 94 -3.419 -2.460 12.826 1.00 0.00 N ATOM 1393 CA LEU A 94 -2.845 -2.444 14.159 1.00 0.00 C ATOM 1394 C LEU A 94 -2.852 -3.842 14.737 1.00 0.00 C ATOM 1395 O LEU A 94 -1.859 -4.327 15.280 1.00 0.00 O ATOM 1396 CB LEU A 94 -3.652 -1.512 15.053 1.00 0.00 C ATOM 1397 CG LEU A 94 -5.168 -1.731 15.065 1.00 0.00 C ATOM 1398 CD1 LEU A 94 -5.563 -2.767 16.091 1.00 0.00 C ATOM 1399 CD2 LEU A 94 -5.891 -0.421 15.333 1.00 0.00 C ATOM 0 H LEU A 94 -4.415 -2.243 12.795 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.817 -2.087 14.103 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.283 -1.612 16.074 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.457 -0.485 14.743 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.461 -2.101 14.082 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.645 -2.900 16.076 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.077 -3.714 15.857 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.252 -2.435 17.082 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.967 -0.594 15.338 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.582 -0.026 16.301 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.643 0.298 14.552 1.00 0.00 H new ATOM 1411 N SER A 95 -3.998 -4.473 14.601 1.00 0.00 N ATOM 1412 CA SER A 95 -4.202 -5.831 15.090 1.00 0.00 C ATOM 1413 C SER A 95 -4.236 -6.821 13.930 1.00 0.00 C ATOM 1414 O SER A 95 -5.180 -7.600 13.790 1.00 0.00 O ATOM 1415 CB SER A 95 -5.499 -5.917 15.896 1.00 0.00 C ATOM 1416 OG SER A 95 -5.682 -7.216 16.433 1.00 0.00 O ATOM 0 H SER A 95 -4.817 -4.065 14.150 1.00 0.00 H new ATOM 0 HA SER A 95 -3.367 -6.090 15.741 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.477 -5.186 16.704 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.345 -5.662 15.258 1.00 0.00 H new ATOM 0 HG SER A 95 -5.725 -7.869 15.703 1.00 0.00 H new ATOM 1422 N LEU A 96 -3.199 -6.785 13.099 1.00 0.00 N ATOM 1423 CA LEU A 96 -3.112 -7.681 11.949 1.00 0.00 C ATOM 1424 C LEU A 96 -2.574 -9.049 12.365 1.00 0.00 C ATOM 1425 O LEU A 96 -3.337 -9.996 12.555 1.00 0.00 O ATOM 1426 CB LEU A 96 -2.228 -7.093 10.833 1.00 0.00 C ATOM 1427 CG LEU A 96 -1.545 -5.761 11.144 1.00 0.00 C ATOM 1428 CD1 LEU A 96 -0.324 -5.975 12.026 1.00 0.00 C ATOM 1429 CD2 LEU A 96 -1.152 -5.064 9.853 1.00 0.00 C ATOM 0 H LEU A 96 -2.409 -6.148 13.199 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.123 -7.797 11.558 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.458 -7.823 10.586 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.842 -6.963 9.942 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.248 -5.128 11.686 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.147 -5.014 12.235 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.629 -6.441 12.963 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.386 -6.623 11.513 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.666 -4.116 10.085 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.464 -5.697 9.293 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.043 -4.878 9.254 1.00 0.00 H new ATOM 1441 N SER A 97 -1.256 -9.139 12.505 1.00 0.00 N ATOM 1442 CA SER A 97 -0.607 -10.384 12.896 1.00 0.00 C ATOM 1443 C SER A 97 0.439 -10.133 13.979 1.00 0.00 C ATOM 1444 O SER A 97 0.699 -8.990 14.353 1.00 0.00 O ATOM 1445 CB SER A 97 0.048 -11.046 11.683 1.00 0.00 C ATOM 1446 OG SER A 97 -0.561 -10.617 10.477 1.00 0.00 O ATOM 0 H SER A 97 -0.614 -8.361 12.353 1.00 0.00 H new ATOM 0 HA SER A 97 -1.369 -11.052 13.297 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.111 -10.805 11.663 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.032 -12.130 11.769 1.00 0.00 H new ATOM 0 HG SER A 97 -0.123 -11.053 9.716 1.00 0.00 H new ATOM 1452 N PRO A 98 1.050 -11.209 14.506 1.00 0.00 N ATOM 1453 CA PRO A 98 2.065 -11.113 15.558 1.00 0.00 C ATOM 1454 C PRO A 98 3.394 -10.560 15.045 1.00 0.00 C ATOM 1455 O PRO A 98 4.344 -11.311 14.817 1.00 0.00 O ATOM 1456 CB PRO A 98 2.239 -12.565 16.037 1.00 0.00 C ATOM 1457 CG PRO A 98 1.140 -13.341 15.387 1.00 0.00 C ATOM 1458 CD PRO A 98 0.795 -12.602 14.130 1.00 0.00 C ATOM 0 HA PRO A 98 1.757 -10.426 16.346 1.00 0.00 H new ATOM 0 HB2 PRO A 98 3.216 -12.956 15.752 1.00 0.00 H new ATOM 0 HB3 PRO A 98 2.174 -12.629 17.123 1.00 0.00 H new ATOM 0 HG2 PRO A 98 1.461 -14.359 15.165 1.00 0.00 H new ATOM 0 HG3 PRO A 98 0.274 -13.416 16.045 1.00 0.00 H new ATOM 0 HD2 PRO A 98 1.415 -12.916 13.290 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -0.243 -12.761 13.837 1.00 0.00 H new ATOM 1466 N GLY A 99 3.460 -9.244 14.876 1.00 0.00 N ATOM 1467 CA GLY A 99 4.684 -8.619 14.403 1.00 0.00 C ATOM 1468 C GLY A 99 4.611 -8.194 12.949 1.00 0.00 C ATOM 1469 O GLY A 99 5.615 -8.227 12.238 1.00 0.00 O ATOM 0 H GLY A 99 2.691 -8.599 15.057 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.902 -7.747 15.020 1.00 0.00 H new ATOM 0 HA3 GLY A 99 5.513 -9.315 14.531 1.00 0.00 H new ATOM 1473 N ALA A 100 3.425 -7.791 12.504 1.00 0.00 N ATOM 1474 CA ALA A 100 3.237 -7.358 11.124 1.00 0.00 C ATOM 1475 C ALA A 100 2.642 -5.953 11.064 1.00 0.00 C ATOM 1476 O ALA A 100 1.760 -5.675 10.252 1.00 0.00 O ATOM 1477 CB ALA A 100 2.347 -8.343 10.379 1.00 0.00 C ATOM 0 H ALA A 100 2.582 -7.755 13.077 1.00 0.00 H new ATOM 0 HA ALA A 100 4.214 -7.330 10.642 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.215 -8.008 9.350 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.812 -9.329 10.383 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.375 -8.399 10.870 1.00 0.00 H new ATOM 1483 N HIS A 101 3.133 -5.068 11.928 1.00 0.00 N ATOM 1484 CA HIS A 101 2.648 -3.694 11.972 1.00 0.00 C ATOM 1485 C HIS A 101 3.332 -2.840 10.911 1.00 0.00 C ATOM 1486 O HIS A 101 2.685 -2.068 10.205 1.00 0.00 O ATOM 1487 CB HIS A 101 2.884 -3.092 13.357 1.00 0.00 C ATOM 1488 CG HIS A 101 2.118 -1.830 13.603 1.00 0.00 C ATOM 1489 ND1 HIS A 101 2.506 -0.604 13.103 1.00 0.00 N ATOM 1490 CD2 HIS A 101 0.978 -1.605 14.300 1.00 0.00 C ATOM 1491 CE1 HIS A 101 1.640 0.319 13.483 1.00 0.00 C ATOM 1492 NE2 HIS A 101 0.704 -0.263 14.209 1.00 0.00 N ATOM 0 H HIS A 101 3.866 -5.279 12.606 1.00 0.00 H new ATOM 0 HA HIS A 101 1.578 -3.707 11.766 1.00 0.00 H new ATOM 0 HB2 HIS A 101 2.610 -3.826 14.114 1.00 0.00 H new ATOM 0 HB3 HIS A 101 3.948 -2.890 13.479 1.00 0.00 H new ATOM 0 HD2 HIS A 101 0.394 -2.344 14.829 1.00 0.00 H new ATOM 0 HE1 HIS A 101 1.690 1.370 13.241 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -0.094 0.208 14.634 1.00 0.00 H new ATOM 1501 N GLN A 102 4.646 -2.990 10.805 1.00 0.00 N ATOM 1502 CA GLN A 102 5.427 -2.239 9.830 1.00 0.00 C ATOM 1503 C GLN A 102 6.411 -3.153 9.110 1.00 0.00 C ATOM 1504 O GLN A 102 7.510 -2.736 8.744 1.00 0.00 O ATOM 1505 CB GLN A 102 6.179 -1.097 10.516 1.00 0.00 C ATOM 1506 CG GLN A 102 7.050 -1.552 11.676 1.00 0.00 C ATOM 1507 CD GLN A 102 7.941 -0.446 12.205 1.00 0.00 C ATOM 1508 OE1 GLN A 102 7.850 -0.066 13.373 1.00 0.00 O ATOM 1509 NE2 GLN A 102 8.807 0.079 11.347 1.00 0.00 N ATOM 0 H GLN A 102 5.195 -3.626 11.383 1.00 0.00 H new ATOM 0 HA GLN A 102 4.741 -1.819 9.095 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.804 -0.591 9.780 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.458 -0.365 10.879 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.413 -1.917 12.482 1.00 0.00 H new ATOM 0 HG3 GLN A 102 7.669 -2.389 11.354 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.848 -0.267 10.388 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.431 0.828 11.646 1.00 0.00 H new ATOM 1518 N LYS A 103 6.009 -4.404 8.915 1.00 0.00 N ATOM 1519 CA LYS A 103 6.852 -5.385 8.246 1.00 0.00 C ATOM 1520 C LYS A 103 6.304 -5.733 6.865 1.00 0.00 C ATOM 1521 O LYS A 103 7.057 -6.109 5.965 1.00 0.00 O ATOM 1522 CB LYS A 103 6.959 -6.652 9.096 1.00 0.00 C ATOM 1523 CG LYS A 103 8.130 -6.641 10.062 1.00 0.00 C ATOM 1524 CD LYS A 103 7.760 -5.974 11.376 1.00 0.00 C ATOM 1525 CE LYS A 103 8.421 -6.667 12.558 1.00 0.00 C ATOM 1526 NZ LYS A 103 9.886 -6.839 12.353 1.00 0.00 N ATOM 0 H LYS A 103 5.101 -4.762 9.212 1.00 0.00 H new ATOM 0 HA LYS A 103 7.843 -4.948 8.120 1.00 0.00 H new ATOM 0 HB2 LYS A 103 6.035 -6.780 9.660 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.052 -7.515 8.436 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.457 -7.663 10.251 1.00 0.00 H new ATOM 0 HG3 LYS A 103 8.971 -6.116 9.610 1.00 0.00 H new ATOM 0 HD2 LYS A 103 8.062 -4.927 11.351 1.00 0.00 H new ATOM 0 HD3 LYS A 103 6.677 -5.991 11.502 1.00 0.00 H new ATOM 0 HE2 LYS A 103 8.247 -6.086 13.463 1.00 0.00 H new ATOM 0 HE3 LYS A 103 7.959 -7.642 12.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 10.345 -7.024 13.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 10.055 -7.640 11.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 10.282 -5.973 11.936 1.00 0.00 H new ATOM 1540 N ARG A 104 4.990 -5.615 6.704 1.00 0.00 N ATOM 1541 CA ARG A 104 4.345 -5.927 5.432 1.00 0.00 C ATOM 1542 C ARG A 104 3.645 -4.705 4.847 1.00 0.00 C ATOM 1543 O ARG A 104 3.670 -4.485 3.637 1.00 0.00 O ATOM 1544 CB ARG A 104 3.338 -7.063 5.617 1.00 0.00 C ATOM 1545 CG ARG A 104 3.873 -8.225 6.438 1.00 0.00 C ATOM 1546 CD ARG A 104 2.828 -9.317 6.606 1.00 0.00 C ATOM 1547 NE ARG A 104 3.348 -10.633 6.238 1.00 0.00 N ATOM 1548 CZ ARG A 104 4.114 -11.376 7.032 1.00 0.00 C ATOM 1549 NH1 ARG A 104 4.457 -10.935 8.237 1.00 0.00 N ATOM 1550 NH2 ARG A 104 4.541 -12.561 6.622 1.00 0.00 N ATOM 0 H ARG A 104 4.351 -5.306 7.437 1.00 0.00 H new ATOM 0 HA ARG A 104 5.121 -6.240 4.733 1.00 0.00 H new ATOM 0 HB2 ARG A 104 2.444 -6.669 6.100 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.035 -7.431 4.637 1.00 0.00 H new ATOM 0 HG2 ARG A 104 4.757 -8.638 5.953 1.00 0.00 H new ATOM 0 HG3 ARG A 104 4.186 -7.866 7.418 1.00 0.00 H new ATOM 0 HD2 ARG A 104 2.488 -9.338 7.642 1.00 0.00 H new ATOM 0 HD3 ARG A 104 1.959 -9.085 5.990 1.00 0.00 H new ATOM 0 HE ARG A 104 3.109 -11.003 5.318 1.00 0.00 H new ATOM 0 HH11 ARG A 104 4.133 -10.023 8.557 1.00 0.00 H new ATOM 0 HH12 ARG A 104 5.045 -11.509 8.842 1.00 0.00 H new ATOM 0 HH21 ARG A 104 4.282 -12.904 5.697 1.00 0.00 H new ATOM 0 HH22 ARG A 104 5.128 -13.130 7.231 1.00 0.00 H new ATOM 1564 N LEU A 105 3.016 -3.914 5.710 1.00 0.00 N ATOM 1565 CA LEU A 105 2.305 -2.720 5.270 1.00 0.00 C ATOM 1566 C LEU A 105 3.127 -1.462 5.529 1.00 0.00 C ATOM 1567 O LEU A 105 3.864 -1.381 6.510 1.00 0.00 O ATOM 1568 CB LEU A 105 0.952 -2.609 5.982 1.00 0.00 C ATOM 1569 CG LEU A 105 0.909 -3.181 7.400 1.00 0.00 C ATOM 1570 CD1 LEU A 105 -0.198 -2.522 8.207 1.00 0.00 C ATOM 1571 CD2 LEU A 105 0.716 -4.690 7.357 1.00 0.00 C ATOM 0 H LEU A 105 2.984 -4.078 6.716 1.00 0.00 H new ATOM 0 HA LEU A 105 2.140 -2.810 4.196 1.00 0.00 H new ATOM 0 HB2 LEU A 105 0.667 -1.558 6.024 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.200 -3.119 5.380 1.00 0.00 H new ATOM 0 HG LEU A 105 1.860 -2.969 7.888 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.214 -2.941 9.213 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.017 -1.449 8.264 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.158 -2.703 7.723 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.687 -5.082 8.374 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.221 -4.923 6.852 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.544 -5.147 6.815 1.00 0.00 H new ATOM 1583 N ILE A 106 2.991 -0.481 4.641 1.00 0.00 N ATOM 1584 CA ILE A 106 3.719 0.775 4.777 1.00 0.00 C ATOM 1585 C ILE A 106 2.824 1.974 4.452 1.00 0.00 C ATOM 1586 O ILE A 106 2.186 2.012 3.401 1.00 0.00 O ATOM 1587 CB ILE A 106 4.960 0.817 3.863 1.00 0.00 C ATOM 1588 CG1 ILE A 106 4.611 0.298 2.459 1.00 0.00 C ATOM 1589 CG2 ILE A 106 6.101 0.018 4.477 1.00 0.00 C ATOM 1590 CD1 ILE A 106 4.714 -1.206 2.309 1.00 0.00 C ATOM 0 H ILE A 106 2.385 -0.532 3.822 1.00 0.00 H new ATOM 0 HA ILE A 106 4.042 0.834 5.816 1.00 0.00 H new ATOM 0 HB ILE A 106 5.288 1.852 3.767 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.596 0.608 2.211 1.00 0.00 H new ATOM 0 HG13 ILE A 106 5.274 0.770 1.734 1.00 0.00 H new ATOM 0 HG21 ILE A 106 6.969 0.058 3.819 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.361 0.442 5.447 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.791 -1.019 4.606 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.451 -1.489 1.290 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.735 -1.524 2.522 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.030 -1.689 3.007 1.00 0.00 H new ATOM 1602 N PRO A 107 2.764 2.969 5.357 1.00 0.00 N ATOM 1603 CA PRO A 107 1.943 4.171 5.163 1.00 0.00 C ATOM 1604 C PRO A 107 2.542 5.126 4.133 1.00 0.00 C ATOM 1605 O PRO A 107 3.760 5.205 3.980 1.00 0.00 O ATOM 1606 CB PRO A 107 1.941 4.819 6.546 1.00 0.00 C ATOM 1607 CG PRO A 107 3.229 4.394 7.156 1.00 0.00 C ATOM 1608 CD PRO A 107 3.484 3.002 6.645 1.00 0.00 C ATOM 0 HA PRO A 107 0.950 3.929 4.784 1.00 0.00 H new ATOM 0 HB2 PRO A 107 1.874 5.905 6.476 1.00 0.00 H new ATOM 0 HB3 PRO A 107 1.091 4.485 7.140 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.037 5.069 6.873 1.00 0.00 H new ATOM 0 HG3 PRO A 107 3.169 4.406 8.244 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.549 2.812 6.514 1.00 0.00 H new ATOM 0 HD3 PRO A 107 3.108 2.246 7.334 1.00 0.00 H new ATOM 1616 N ILE A 108 1.673 5.846 3.434 1.00 0.00 N ATOM 1617 CA ILE A 108 2.107 6.798 2.418 1.00 0.00 C ATOM 1618 C ILE A 108 1.116 7.957 2.304 1.00 0.00 C ATOM 1619 O ILE A 108 -0.035 7.846 2.725 1.00 0.00 O ATOM 1620 CB ILE A 108 2.269 6.103 1.045 1.00 0.00 C ATOM 1621 CG1 ILE A 108 3.458 5.143 1.077 1.00 0.00 C ATOM 1622 CG2 ILE A 108 2.445 7.121 -0.074 1.00 0.00 C ATOM 1623 CD1 ILE A 108 3.090 3.734 1.487 1.00 0.00 C ATOM 0 H ILE A 108 0.661 5.789 3.552 1.00 0.00 H new ATOM 0 HA ILE A 108 3.075 7.194 2.723 1.00 0.00 H new ATOM 0 HB ILE A 108 1.359 5.538 0.845 1.00 0.00 H new ATOM 0 HG12 ILE A 108 3.919 5.116 0.090 1.00 0.00 H new ATOM 0 HG13 ILE A 108 4.207 5.529 1.768 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.556 6.601 -1.025 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.571 7.771 -0.116 1.00 0.00 H new ATOM 0 HG23 ILE A 108 3.334 7.722 0.117 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.984 3.110 1.487 1.00 0.00 H new ATOM 0 HD12 ILE A 108 2.657 3.747 2.487 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.364 3.328 0.783 1.00 0.00 H new ATOM 1635 N LYS A 109 1.566 9.068 1.730 1.00 0.00 N ATOM 1636 CA LYS A 109 0.711 10.236 1.557 1.00 0.00 C ATOM 1637 C LYS A 109 1.435 11.330 0.779 1.00 0.00 C ATOM 1638 O LYS A 109 2.635 11.235 0.525 1.00 0.00 O ATOM 1639 CB LYS A 109 0.244 10.767 2.918 1.00 0.00 C ATOM 1640 CG LYS A 109 1.341 11.430 3.740 1.00 0.00 C ATOM 1641 CD LYS A 109 2.168 10.404 4.501 1.00 0.00 C ATOM 1642 CE LYS A 109 2.192 10.703 5.992 1.00 0.00 C ATOM 1643 NZ LYS A 109 2.961 11.943 6.297 1.00 0.00 N ATOM 0 H LYS A 109 2.516 9.184 1.377 1.00 0.00 H new ATOM 0 HA LYS A 109 -0.165 9.933 0.983 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -0.560 11.486 2.758 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -0.176 9.942 3.493 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.991 12.007 3.082 1.00 0.00 H new ATOM 0 HG3 LYS A 109 0.895 12.133 4.444 1.00 0.00 H new ATOM 0 HD2 LYS A 109 1.757 9.408 4.335 1.00 0.00 H new ATOM 0 HD3 LYS A 109 3.187 10.397 4.114 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.171 10.810 6.357 1.00 0.00 H new ATOM 0 HE3 LYS A 109 2.635 9.861 6.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.954 12.112 7.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 3.942 11.832 5.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 2.524 12.751 5.810 1.00 0.00 H new ATOM 1657 N TYR A 110 0.695 12.368 0.408 1.00 0.00 N ATOM 1658 CA TYR A 110 1.266 13.485 -0.340 1.00 0.00 C ATOM 1659 C TYR A 110 1.628 14.642 0.590 1.00 0.00 C ATOM 1660 O TYR A 110 2.270 15.605 0.174 1.00 0.00 O ATOM 1661 CB TYR A 110 0.296 13.970 -1.424 1.00 0.00 C ATOM 1662 CG TYR A 110 -1.168 13.821 -1.067 1.00 0.00 C ATOM 1663 CD1 TYR A 110 -1.824 12.607 -1.234 1.00 0.00 C ATOM 1664 CD2 TYR A 110 -1.894 14.895 -0.567 1.00 0.00 C ATOM 1665 CE1 TYR A 110 -3.159 12.467 -0.912 1.00 0.00 C ATOM 1666 CE2 TYR A 110 -3.232 14.762 -0.243 1.00 0.00 C ATOM 1667 CZ TYR A 110 -3.859 13.546 -0.418 1.00 0.00 C ATOM 1668 OH TYR A 110 -5.190 13.411 -0.096 1.00 0.00 O ATOM 0 H TYR A 110 -0.300 12.461 0.612 1.00 0.00 H new ATOM 0 HA TYR A 110 2.177 13.127 -0.819 1.00 0.00 H new ATOM 0 HB2 TYR A 110 0.501 15.020 -1.634 1.00 0.00 H new ATOM 0 HB3 TYR A 110 0.491 13.417 -2.343 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -1.280 11.759 -1.622 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -1.406 15.849 -0.429 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -3.653 11.516 -1.047 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -3.783 15.606 0.145 1.00 0.00 H new ATOM 0 HH TYR A 110 -5.410 12.460 -0.005 1.00 0.00 H new ATOM 1678 N LYS A 111 1.214 14.541 1.851 1.00 0.00 N ATOM 1679 CA LYS A 111 1.497 15.577 2.838 1.00 0.00 C ATOM 1680 C LYS A 111 0.891 15.212 4.188 1.00 0.00 C ATOM 1681 O LYS A 111 -0.133 14.531 4.255 1.00 0.00 O ATOM 1682 CB LYS A 111 0.953 16.928 2.370 1.00 0.00 C ATOM 1683 CG LYS A 111 -0.458 16.855 1.806 1.00 0.00 C ATOM 1684 CD LYS A 111 -1.499 17.159 2.871 1.00 0.00 C ATOM 1685 CE LYS A 111 -1.742 18.654 3.000 1.00 0.00 C ATOM 1686 NZ LYS A 111 -2.423 19.214 1.800 1.00 0.00 N ATOM 0 H LYS A 111 0.681 13.750 2.213 1.00 0.00 H new ATOM 0 HA LYS A 111 2.579 15.653 2.949 1.00 0.00 H new ATOM 0 HB2 LYS A 111 0.964 17.625 3.208 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.619 17.334 1.609 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -0.560 17.563 0.984 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -0.636 15.861 1.395 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -2.434 16.657 2.621 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -1.168 16.759 3.829 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -2.349 18.848 3.885 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -0.790 19.165 3.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -2.897 20.104 2.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -1.720 19.396 1.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -3.128 18.533 1.452 1.00 0.00 H new ATOM 1700 N ALA A 112 1.529 15.664 5.261 1.00 0.00 N ATOM 1701 CA ALA A 112 1.050 15.382 6.609 1.00 0.00 C ATOM 1702 C ALA A 112 -0.389 15.854 6.790 1.00 0.00 C ATOM 1703 O ALA A 112 -0.816 16.830 6.173 1.00 0.00 O ATOM 1704 CB ALA A 112 1.957 16.040 7.638 1.00 0.00 C ATOM 0 H ALA A 112 2.379 16.227 5.224 1.00 0.00 H new ATOM 0 HA ALA A 112 1.072 14.303 6.758 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.588 15.822 8.640 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.970 15.652 7.531 1.00 0.00 H new ATOM 0 HB3 ALA A 112 1.963 17.119 7.481 1.00 0.00 H new ATOM 1710 N MET A 113 -1.132 15.151 7.638 1.00 0.00 N ATOM 1711 CA MET A 113 -2.524 15.492 7.900 1.00 0.00 C ATOM 1712 C MET A 113 -2.629 16.569 8.967 1.00 0.00 C ATOM 1713 O MET A 113 -1.969 16.503 10.005 1.00 0.00 O ATOM 1714 CB MET A 113 -3.299 14.253 8.343 1.00 0.00 C ATOM 1715 CG MET A 113 -3.237 13.109 7.346 1.00 0.00 C ATOM 1716 SD MET A 113 -1.843 12.002 7.637 1.00 0.00 S ATOM 1717 CE MET A 113 -2.066 11.614 9.371 1.00 0.00 C ATOM 0 H MET A 113 -0.792 14.341 8.156 1.00 0.00 H new ATOM 0 HA MET A 113 -2.955 15.875 6.975 1.00 0.00 H new ATOM 0 HB2 MET A 113 -2.905 13.911 9.300 1.00 0.00 H new ATOM 0 HB3 MET A 113 -4.342 14.526 8.506 1.00 0.00 H new ATOM 0 HG2 MET A 113 -4.165 12.539 7.396 1.00 0.00 H new ATOM 0 HG3 MET A 113 -3.167 13.516 6.337 1.00 0.00 H new ATOM 0 HE1 MET A 113 -1.266 12.072 9.952 1.00 0.00 H new ATOM 0 HE2 MET A 113 -3.027 12.001 9.710 1.00 0.00 H new ATOM 0 HE3 MET A 113 -2.041 10.533 9.508 1.00 0.00 H new ATOM 1727 N LYS A 114 -3.478 17.555 8.708 1.00 0.00 N ATOM 1728 CA LYS A 114 -3.692 18.647 9.645 1.00 0.00 C ATOM 1729 C LYS A 114 -4.502 18.176 10.850 1.00 0.00 C ATOM 1730 O LYS A 114 -4.693 18.924 11.808 1.00 0.00 O ATOM 1731 CB LYS A 114 -4.410 19.807 8.951 1.00 0.00 C ATOM 1732 CG LYS A 114 -3.473 20.908 8.481 1.00 0.00 C ATOM 1733 CD LYS A 114 -3.835 21.391 7.084 1.00 0.00 C ATOM 1734 CE LYS A 114 -3.354 20.419 6.018 1.00 0.00 C ATOM 1735 NZ LYS A 114 -2.709 21.121 4.872 1.00 0.00 N ATOM 0 H LYS A 114 -4.031 17.620 7.853 1.00 0.00 H new ATOM 0 HA LYS A 114 -2.719 18.991 9.997 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.962 19.421 8.094 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.142 20.233 9.637 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.515 21.745 9.178 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.447 20.540 8.485 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -4.916 21.511 7.008 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -3.392 22.372 6.911 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -2.645 19.719 6.459 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -4.198 19.832 5.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -3.131 20.791 3.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -2.856 22.146 4.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -1.689 20.916 4.869 1.00 0.00 H new ATOM 1749 N LYS A 115 -4.974 16.928 10.803 1.00 0.00 N ATOM 1750 CA LYS A 115 -5.756 16.374 11.905 1.00 0.00 C ATOM 1751 C LYS A 115 -4.946 15.328 12.674 1.00 0.00 C ATOM 1752 O LYS A 115 -3.716 15.322 12.607 1.00 0.00 O ATOM 1753 CB LYS A 115 -7.090 15.808 11.403 1.00 0.00 C ATOM 1754 CG LYS A 115 -7.017 15.174 10.033 1.00 0.00 C ATOM 1755 CD LYS A 115 -6.372 13.808 10.101 1.00 0.00 C ATOM 1756 CE LYS A 115 -7.186 12.853 10.960 1.00 0.00 C ATOM 1757 NZ LYS A 115 -8.611 12.793 10.530 1.00 0.00 N ATOM 0 H LYS A 115 -4.829 16.289 10.021 1.00 0.00 H new ATOM 0 HA LYS A 115 -5.990 17.181 12.599 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -7.448 15.066 12.116 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -7.827 16.611 11.381 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -8.020 15.086 9.615 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -6.447 15.816 9.361 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -6.273 13.400 9.095 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.365 13.899 10.509 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -6.749 11.856 10.907 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -7.135 13.169 12.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -9.007 11.862 10.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -9.152 13.536 11.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -8.670 12.939 9.502 1.00 0.00 H new ATOM 1771 N GLU A 116 -5.625 14.465 13.424 1.00 0.00 N ATOM 1772 CA GLU A 116 -4.949 13.451 14.221 1.00 0.00 C ATOM 1773 C GLU A 116 -4.439 12.302 13.362 1.00 0.00 C ATOM 1774 O GLU A 116 -4.993 12.004 12.307 1.00 0.00 O ATOM 1775 CB GLU A 116 -5.895 12.912 15.294 1.00 0.00 C ATOM 1776 CG GLU A 116 -6.831 13.962 15.874 1.00 0.00 C ATOM 1777 CD GLU A 116 -8.218 13.907 15.265 1.00 0.00 C ATOM 1778 OE1 GLU A 116 -8.745 12.789 15.088 1.00 0.00 O ATOM 1779 OE2 GLU A 116 -8.776 14.983 14.964 1.00 0.00 O ATOM 0 H GLU A 116 -6.642 14.449 13.495 1.00 0.00 H new ATOM 0 HA GLU A 116 -4.088 13.924 14.693 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -6.490 12.105 14.867 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.304 12.480 16.102 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -6.906 13.821 16.952 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -6.406 14.952 15.711 1.00 0.00 H new ATOM 1786 N PHE A 117 -3.384 11.651 13.839 1.00 0.00 N ATOM 1787 CA PHE A 117 -2.795 10.517 13.135 1.00 0.00 C ATOM 1788 C PHE A 117 -3.174 9.217 13.831 1.00 0.00 C ATOM 1789 O PHE A 117 -3.313 9.173 15.054 1.00 0.00 O ATOM 1790 CB PHE A 117 -1.267 10.640 13.054 1.00 0.00 C ATOM 1791 CG PHE A 117 -0.686 11.732 13.912 1.00 0.00 C ATOM 1792 CD1 PHE A 117 -0.816 13.062 13.545 1.00 0.00 C ATOM 1793 CD2 PHE A 117 -0.012 11.426 15.083 1.00 0.00 C ATOM 1794 CE1 PHE A 117 -0.282 14.066 14.330 1.00 0.00 C ATOM 1795 CE2 PHE A 117 0.523 12.427 15.873 1.00 0.00 C ATOM 1796 CZ PHE A 117 0.387 13.748 15.495 1.00 0.00 C ATOM 0 H PHE A 117 -2.917 11.890 14.714 1.00 0.00 H new ATOM 0 HA PHE A 117 -3.188 10.513 12.118 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -0.822 9.689 13.346 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -0.983 10.819 12.017 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -1.340 13.317 12.636 1.00 0.00 H new ATOM 0 HD2 PHE A 117 0.097 10.394 15.382 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -0.388 15.099 14.032 1.00 0.00 H new ATOM 0 HE2 PHE A 117 1.046 12.176 16.784 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.804 14.532 16.110 1.00 0.00 H new ATOM 1806 N PRO A 118 -3.348 8.137 13.060 1.00 0.00 N ATOM 1807 CA PRO A 118 -3.714 6.835 13.602 1.00 0.00 C ATOM 1808 C PRO A 118 -2.517 6.058 14.110 1.00 0.00 C ATOM 1809 O PRO A 118 -1.420 6.169 13.563 1.00 0.00 O ATOM 1810 CB PRO A 118 -4.335 6.137 12.401 1.00 0.00 C ATOM 1811 CG PRO A 118 -3.617 6.696 11.225 1.00 0.00 C ATOM 1812 CD PRO A 118 -3.205 8.099 11.593 1.00 0.00 C ATOM 0 HA PRO A 118 -4.375 6.917 14.465 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -4.211 5.056 12.464 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -5.406 6.332 12.340 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -2.746 6.089 10.980 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -4.260 6.700 10.345 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -2.180 8.308 11.286 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -3.840 8.842 11.110 1.00 0.00 H new ATOM 1820 N SER A 119 -2.740 5.242 15.138 1.00 0.00 N ATOM 1821 CA SER A 119 -1.679 4.405 15.688 1.00 0.00 C ATOM 1822 C SER A 119 -1.329 3.382 14.629 1.00 0.00 C ATOM 1823 O SER A 119 -1.675 2.205 14.729 1.00 0.00 O ATOM 1824 CB SER A 119 -2.132 3.715 16.976 1.00 0.00 C ATOM 1825 OG SER A 119 -2.398 4.662 17.997 1.00 0.00 O ATOM 0 H SER A 119 -3.642 5.143 15.604 1.00 0.00 H new ATOM 0 HA SER A 119 -0.811 5.012 15.945 1.00 0.00 H new ATOM 0 HB2 SER A 119 -3.028 3.125 16.780 1.00 0.00 H new ATOM 0 HB3 SER A 119 -1.361 3.021 17.311 1.00 0.00 H new ATOM 0 HG SER A 119 -2.687 4.195 18.809 1.00 0.00 H new ATOM 1831 N ILE A 120 -0.708 3.877 13.571 1.00 0.00 N ATOM 1832 CA ILE A 120 -0.378 3.068 12.424 1.00 0.00 C ATOM 1833 C ILE A 120 0.892 3.581 11.751 1.00 0.00 C ATOM 1834 O ILE A 120 1.782 2.804 11.399 1.00 0.00 O ATOM 1835 CB ILE A 120 -1.572 3.132 11.451 1.00 0.00 C ATOM 1836 CG1 ILE A 120 -2.770 2.414 12.062 1.00 0.00 C ATOM 1837 CG2 ILE A 120 -1.239 2.561 10.092 1.00 0.00 C ATOM 1838 CD1 ILE A 120 -3.932 2.269 11.110 1.00 0.00 C ATOM 0 H ILE A 120 -0.421 4.852 13.489 1.00 0.00 H new ATOM 0 HA ILE A 120 -0.190 2.038 12.728 1.00 0.00 H new ATOM 0 HB ILE A 120 -1.819 4.182 11.294 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.459 1.425 12.397 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -3.100 2.961 12.945 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -2.113 2.630 9.444 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -0.416 3.125 9.652 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -0.947 1.516 10.198 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -4.749 1.749 11.610 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -4.269 3.256 10.794 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -3.618 1.696 10.237 1.00 0.00 H new ATOM 1850 N LEU A 121 0.971 4.897 11.591 1.00 0.00 N ATOM 1851 CA LEU A 121 2.133 5.529 10.979 1.00 0.00 C ATOM 1852 C LEU A 121 2.786 6.505 11.953 1.00 0.00 C ATOM 1853 O LEU A 121 3.364 7.514 11.548 1.00 0.00 O ATOM 1854 CB LEU A 121 1.748 6.255 9.680 1.00 0.00 C ATOM 1855 CG LEU A 121 0.465 7.100 9.724 1.00 0.00 C ATOM 1856 CD1 LEU A 121 -0.769 6.221 9.587 1.00 0.00 C ATOM 1857 CD2 LEU A 121 0.394 7.935 10.996 1.00 0.00 C ATOM 0 H LEU A 121 0.241 5.549 11.878 1.00 0.00 H new ATOM 0 HA LEU A 121 2.849 4.745 10.733 1.00 0.00 H new ATOM 0 HB2 LEU A 121 2.575 6.904 9.394 1.00 0.00 H new ATOM 0 HB3 LEU A 121 1.640 5.510 8.892 1.00 0.00 H new ATOM 0 HG LEU A 121 0.492 7.785 8.877 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -1.664 6.842 9.621 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -0.733 5.689 8.637 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -0.796 5.501 10.405 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -0.525 8.521 10.996 1.00 0.00 H new ATOM 0 HD22 LEU A 121 0.405 7.277 11.865 1.00 0.00 H new ATOM 0 HD23 LEU A 121 1.252 8.606 11.039 1.00 0.00 H new ATOM 1869 N ARG A 122 2.679 6.195 13.245 1.00 0.00 N ATOM 1870 CA ARG A 122 3.245 7.036 14.298 1.00 0.00 C ATOM 1871 C ARG A 122 4.652 7.511 13.952 1.00 0.00 C ATOM 1872 O ARG A 122 4.970 8.692 14.090 1.00 0.00 O ATOM 1873 CB ARG A 122 3.260 6.278 15.627 1.00 0.00 C ATOM 1874 CG ARG A 122 3.803 4.863 15.517 1.00 0.00 C ATOM 1875 CD ARG A 122 3.299 3.984 16.650 1.00 0.00 C ATOM 1876 NE ARG A 122 3.827 2.623 16.561 1.00 0.00 N ATOM 1877 CZ ARG A 122 3.264 1.570 17.151 1.00 0.00 C ATOM 1878 NH1 ARG A 122 2.161 1.715 17.875 1.00 0.00 N ATOM 1879 NH2 ARG A 122 3.809 0.368 17.017 1.00 0.00 N ATOM 0 H ARG A 122 2.202 5.361 13.588 1.00 0.00 H new ATOM 0 HA ARG A 122 2.611 7.918 14.389 1.00 0.00 H new ATOM 0 HB2 ARG A 122 3.862 6.834 16.345 1.00 0.00 H new ATOM 0 HB3 ARG A 122 2.246 6.239 16.024 1.00 0.00 H new ATOM 0 HG2 ARG A 122 3.507 4.432 14.561 1.00 0.00 H new ATOM 0 HG3 ARG A 122 4.893 4.888 15.531 1.00 0.00 H new ATOM 0 HD2 ARG A 122 3.586 4.423 17.605 1.00 0.00 H new ATOM 0 HD3 ARG A 122 2.210 3.953 16.628 1.00 0.00 H new ATOM 0 HE ARG A 122 4.675 2.471 16.016 1.00 0.00 H new ATOM 0 HH11 ARG A 122 1.739 2.637 17.982 1.00 0.00 H new ATOM 0 HH12 ARG A 122 1.735 0.904 18.324 1.00 0.00 H new ATOM 0 HH21 ARG A 122 4.658 0.252 16.463 1.00 0.00 H new ATOM 0 HH22 ARG A 122 3.380 -0.440 17.468 1.00 0.00 H new ATOM 1893 N PHE A 123 5.493 6.587 13.506 1.00 0.00 N ATOM 1894 CA PHE A 123 6.867 6.921 13.147 1.00 0.00 C ATOM 1895 C PHE A 123 7.515 5.799 12.343 1.00 0.00 C ATOM 1896 O PHE A 123 8.736 5.635 12.364 1.00 0.00 O ATOM 1897 CB PHE A 123 7.691 7.202 14.405 1.00 0.00 C ATOM 1898 CG PHE A 123 7.615 6.106 15.429 1.00 0.00 C ATOM 1899 CD1 PHE A 123 8.392 4.966 15.300 1.00 0.00 C ATOM 1900 CD2 PHE A 123 6.768 6.217 16.519 1.00 0.00 C ATOM 1901 CE1 PHE A 123 8.325 3.955 16.241 1.00 0.00 C ATOM 1902 CE2 PHE A 123 6.697 5.209 17.463 1.00 0.00 C ATOM 1903 CZ PHE A 123 7.475 4.078 17.324 1.00 0.00 C ATOM 0 H PHE A 123 5.250 5.604 13.384 1.00 0.00 H new ATOM 0 HA PHE A 123 6.842 7.817 12.526 1.00 0.00 H new ATOM 0 HB2 PHE A 123 8.733 7.352 14.121 1.00 0.00 H new ATOM 0 HB3 PHE A 123 7.346 8.133 14.855 1.00 0.00 H new ATOM 0 HD1 PHE A 123 9.057 4.866 14.455 1.00 0.00 H new ATOM 0 HD2 PHE A 123 6.157 7.100 16.633 1.00 0.00 H new ATOM 0 HE1 PHE A 123 8.936 3.071 16.130 1.00 0.00 H new ATOM 0 HE2 PHE A 123 6.033 5.307 18.309 1.00 0.00 H new ATOM 0 HZ PHE A 123 7.420 3.290 18.060 1.00 0.00 H new ATOM 1913 N ILE A 124 6.695 5.029 11.638 1.00 0.00 N ATOM 1914 CA ILE A 124 7.186 3.930 10.834 1.00 0.00 C ATOM 1915 C ILE A 124 7.605 4.412 9.447 1.00 0.00 C ATOM 1916 O ILE A 124 7.606 5.613 9.174 1.00 0.00 O ATOM 1917 CB ILE A 124 6.107 2.837 10.704 1.00 0.00 C ATOM 1918 CG1 ILE A 124 4.978 3.294 9.777 1.00 0.00 C ATOM 1919 CG2 ILE A 124 5.559 2.467 12.077 1.00 0.00 C ATOM 1920 CD1 ILE A 124 3.843 2.298 9.662 1.00 0.00 C ATOM 0 H ILE A 124 5.683 5.151 11.611 1.00 0.00 H new ATOM 0 HA ILE A 124 8.060 3.512 11.334 1.00 0.00 H new ATOM 0 HB ILE A 124 6.567 1.952 10.265 1.00 0.00 H new ATOM 0 HG12 ILE A 124 4.582 4.242 10.141 1.00 0.00 H new ATOM 0 HG13 ILE A 124 5.388 3.480 8.784 1.00 0.00 H new ATOM 0 HG21 ILE A 124 4.798 1.694 11.969 1.00 0.00 H new ATOM 0 HG22 ILE A 124 6.369 2.094 12.704 1.00 0.00 H new ATOM 0 HG23 ILE A 124 5.117 3.348 12.542 1.00 0.00 H new ATOM 0 HD11 ILE A 124 3.081 2.691 8.989 1.00 0.00 H new ATOM 0 HD12 ILE A 124 4.224 1.356 9.268 1.00 0.00 H new ATOM 0 HD13 ILE A 124 3.406 2.129 10.646 1.00 0.00 H new ATOM 1932 N THR A 125 7.959 3.475 8.573 1.00 0.00 N ATOM 1933 CA THR A 125 8.375 3.818 7.216 1.00 0.00 C ATOM 1934 C THR A 125 7.270 4.573 6.485 1.00 0.00 C ATOM 1935 O THR A 125 6.327 3.972 5.977 1.00 0.00 O ATOM 1936 CB THR A 125 8.747 2.558 6.435 1.00 0.00 C ATOM 1937 OG1 THR A 125 9.831 1.885 7.051 1.00 0.00 O ATOM 1938 CG2 THR A 125 9.136 2.841 5.000 1.00 0.00 C ATOM 0 H THR A 125 7.967 2.476 8.778 1.00 0.00 H new ATOM 0 HA THR A 125 9.251 4.463 7.286 1.00 0.00 H new ATOM 0 HB THR A 125 7.849 1.940 6.438 1.00 0.00 H new ATOM 0 HG1 THR A 125 10.052 1.081 6.536 1.00 0.00 H new ATOM 0 HG21 THR A 125 9.389 1.906 4.500 1.00 0.00 H new ATOM 0 HG22 THR A 125 8.301 3.314 4.483 1.00 0.00 H new ATOM 0 HG23 THR A 125 9.999 3.507 4.981 1.00 0.00 H new ATOM 1946 N VAL A 126 7.393 5.895 6.438 1.00 0.00 N ATOM 1947 CA VAL A 126 6.402 6.728 5.776 1.00 0.00 C ATOM 1948 C VAL A 126 6.954 7.340 4.492 1.00 0.00 C ATOM 1949 O VAL A 126 8.090 7.808 4.453 1.00 0.00 O ATOM 1950 CB VAL A 126 5.914 7.853 6.707 1.00 0.00 C ATOM 1951 CG1 VAL A 126 7.051 8.805 7.047 1.00 0.00 C ATOM 1952 CG2 VAL A 126 4.748 8.600 6.078 1.00 0.00 C ATOM 0 H VAL A 126 8.170 6.411 6.851 1.00 0.00 H new ATOM 0 HA VAL A 126 5.562 6.081 5.523 1.00 0.00 H new ATOM 0 HB VAL A 126 5.566 7.402 7.636 1.00 0.00 H new ATOM 0 HG11 VAL A 126 6.682 9.591 7.706 1.00 0.00 H new ATOM 0 HG12 VAL A 126 7.848 8.256 7.548 1.00 0.00 H new ATOM 0 HG13 VAL A 126 7.438 9.251 6.131 1.00 0.00 H new ATOM 0 HG21 VAL A 126 4.417 9.391 6.751 1.00 0.00 H new ATOM 0 HG22 VAL A 126 5.065 9.038 5.131 1.00 0.00 H new ATOM 0 HG23 VAL A 126 3.925 7.907 5.900 1.00 0.00 H new ATOM 1962 N CYS A 127 6.137 7.330 3.442 1.00 0.00 N ATOM 1963 CA CYS A 127 6.539 7.883 2.154 1.00 0.00 C ATOM 1964 C CYS A 127 5.771 9.166 1.848 1.00 0.00 C ATOM 1965 O CYS A 127 4.691 9.130 1.259 1.00 0.00 O ATOM 1966 CB CYS A 127 6.306 6.860 1.040 1.00 0.00 C ATOM 1967 SG CYS A 127 7.576 6.870 -0.247 1.00 0.00 S ATOM 0 H CYS A 127 5.193 6.945 3.459 1.00 0.00 H new ATOM 0 HA CYS A 127 7.602 8.119 2.206 1.00 0.00 H new ATOM 0 HB2 CYS A 127 6.257 5.864 1.480 1.00 0.00 H new ATOM 0 HB3 CYS A 127 5.337 7.053 0.581 1.00 0.00 H new ATOM 0 HG CYS A 127 7.294 5.971 -1.142 1.00 0.00 H new ATOM 1973 N ASP A 128 6.340 10.299 2.250 1.00 0.00 N ATOM 1974 CA ASP A 128 5.715 11.596 2.017 1.00 0.00 C ATOM 1975 C ASP A 128 6.512 12.400 0.996 1.00 0.00 C ATOM 1976 O ASP A 128 7.718 12.206 0.845 1.00 0.00 O ATOM 1977 CB ASP A 128 5.600 12.383 3.327 1.00 0.00 C ATOM 1978 CG ASP A 128 6.676 12.019 4.335 1.00 0.00 C ATOM 1979 OD1 ASP A 128 7.797 11.671 3.907 1.00 0.00 O ATOM 1980 OD2 ASP A 128 6.398 12.083 5.551 1.00 0.00 O ATOM 0 H ASP A 128 7.234 10.344 2.739 1.00 0.00 H new ATOM 0 HA ASP A 128 4.714 11.423 1.623 1.00 0.00 H new ATOM 0 HB2 ASP A 128 5.659 13.450 3.110 1.00 0.00 H new ATOM 0 HB3 ASP A 128 4.620 12.202 3.769 1.00 0.00 H new ATOM 1985 N TYR A 129 5.834 13.305 0.294 1.00 0.00 N ATOM 1986 CA TYR A 129 6.492 14.130 -0.712 1.00 0.00 C ATOM 1987 C TYR A 129 7.348 15.207 -0.057 1.00 0.00 C ATOM 1988 O TYR A 129 6.958 16.375 0.004 1.00 0.00 O ATOM 1989 CB TYR A 129 5.463 14.776 -1.641 1.00 0.00 C ATOM 1990 CG TYR A 129 4.636 13.780 -2.432 1.00 0.00 C ATOM 1991 CD1 TYR A 129 5.129 12.515 -2.735 1.00 0.00 C ATOM 1992 CD2 TYR A 129 3.362 14.109 -2.879 1.00 0.00 C ATOM 1993 CE1 TYR A 129 4.377 11.609 -3.456 1.00 0.00 C ATOM 1994 CE2 TYR A 129 2.603 13.207 -3.600 1.00 0.00 C ATOM 1995 CZ TYR A 129 3.115 11.959 -3.887 1.00 0.00 C ATOM 1996 OH TYR A 129 2.363 11.059 -4.606 1.00 0.00 O ATOM 0 H TYR A 129 4.836 13.484 0.403 1.00 0.00 H new ATOM 0 HA TYR A 129 7.139 13.481 -1.302 1.00 0.00 H new ATOM 0 HB2 TYR A 129 4.793 15.399 -1.048 1.00 0.00 H new ATOM 0 HB3 TYR A 129 5.981 15.437 -2.336 1.00 0.00 H new ATOM 0 HD1 TYR A 129 6.117 12.237 -2.400 1.00 0.00 H new ATOM 0 HD2 TYR A 129 2.958 15.086 -2.659 1.00 0.00 H new ATOM 0 HE1 TYR A 129 4.775 10.631 -3.681 1.00 0.00 H new ATOM 0 HE2 TYR A 129 1.613 13.478 -3.937 1.00 0.00 H new ATOM 0 HH TYR A 129 1.411 11.245 -4.469 1.00 0.00 H new ATOM 2006 N THR A 130 8.521 14.811 0.422 1.00 0.00 N ATOM 2007 CA THR A 130 9.439 15.744 1.058 1.00 0.00 C ATOM 2008 C THR A 130 10.290 16.433 0.002 1.00 0.00 C ATOM 2009 O THR A 130 11.495 16.200 -0.092 1.00 0.00 O ATOM 2010 CB THR A 130 10.330 15.014 2.065 1.00 0.00 C ATOM 2011 OG1 THR A 130 11.068 13.987 1.428 1.00 0.00 O ATOM 2012 CG2 THR A 130 9.558 14.386 3.204 1.00 0.00 C ATOM 0 H THR A 130 8.858 13.849 0.381 1.00 0.00 H new ATOM 0 HA THR A 130 8.861 16.497 1.593 1.00 0.00 H new ATOM 0 HB THR A 130 10.989 15.779 2.475 1.00 0.00 H new ATOM 0 HG1 THR A 130 11.603 14.371 0.702 1.00 0.00 H new ATOM 0 HG21 THR A 130 10.251 13.885 3.880 1.00 0.00 H new ATOM 0 HG22 THR A 130 9.016 15.160 3.747 1.00 0.00 H new ATOM 0 HG23 THR A 130 8.850 13.659 2.806 1.00 0.00 H new ATOM 2020 N ASN A 131 9.643 17.268 -0.808 1.00 0.00 N ATOM 2021 CA ASN A 131 10.324 17.984 -1.881 1.00 0.00 C ATOM 2022 C ASN A 131 10.594 17.042 -3.052 1.00 0.00 C ATOM 2023 O ASN A 131 11.745 16.760 -3.383 1.00 0.00 O ATOM 2024 CB ASN A 131 11.635 18.601 -1.386 1.00 0.00 C ATOM 2025 CG ASN A 131 11.494 19.248 -0.020 1.00 0.00 C ATOM 2026 OD1 ASN A 131 11.002 20.370 0.100 1.00 0.00 O ATOM 2027 ND2 ASN A 131 11.925 18.539 1.016 1.00 0.00 N ATOM 0 H ASN A 131 8.645 17.465 -0.740 1.00 0.00 H new ATOM 0 HA ASN A 131 9.674 18.793 -2.216 1.00 0.00 H new ATOM 0 HB2 ASN A 131 12.402 17.828 -1.341 1.00 0.00 H new ATOM 0 HB3 ASN A 131 11.976 19.347 -2.104 1.00 0.00 H new ATOM 0 HD21 ASN A 131 11.855 18.920 1.959 1.00 0.00 H new ATOM 0 HD22 ASN A 131 12.326 17.613 0.869 1.00 0.00 H new ATOM 2034 N PRO A 132 9.524 16.538 -3.698 1.00 0.00 N ATOM 2035 CA PRO A 132 9.643 15.620 -4.836 1.00 0.00 C ATOM 2036 C PRO A 132 10.684 16.077 -5.849 1.00 0.00 C ATOM 2037 O PRO A 132 11.255 15.265 -6.576 1.00 0.00 O ATOM 2038 CB PRO A 132 8.249 15.654 -5.456 1.00 0.00 C ATOM 2039 CG PRO A 132 7.341 15.934 -4.312 1.00 0.00 C ATOM 2040 CD PRO A 132 8.113 16.820 -3.369 1.00 0.00 C ATOM 0 HA PRO A 132 9.969 14.627 -4.526 1.00 0.00 H new ATOM 0 HB2 PRO A 132 8.173 16.426 -6.221 1.00 0.00 H new ATOM 0 HB3 PRO A 132 8.004 14.706 -5.935 1.00 0.00 H new ATOM 0 HG2 PRO A 132 6.429 16.427 -4.650 1.00 0.00 H new ATOM 0 HG3 PRO A 132 7.040 15.010 -3.819 1.00 0.00 H new ATOM 0 HD2 PRO A 132 7.870 17.872 -3.519 1.00 0.00 H new ATOM 0 HD3 PRO A 132 7.890 16.586 -2.328 1.00 0.00 H new ATOM 2048 N CYS A 133 10.920 17.385 -5.888 1.00 0.00 N ATOM 2049 CA CYS A 133 11.894 17.972 -6.810 1.00 0.00 C ATOM 2050 C CYS A 133 13.135 17.090 -6.937 1.00 0.00 C ATOM 2051 O CYS A 133 13.701 16.946 -8.021 1.00 0.00 O ATOM 2052 CB CYS A 133 12.296 19.371 -6.337 1.00 0.00 C ATOM 2053 SG CYS A 133 12.428 20.589 -7.666 1.00 0.00 S ATOM 0 H CYS A 133 10.449 18.064 -5.290 1.00 0.00 H new ATOM 0 HA CYS A 133 11.424 18.046 -7.791 1.00 0.00 H new ATOM 0 HB2 CYS A 133 11.564 19.721 -5.609 1.00 0.00 H new ATOM 0 HB3 CYS A 133 13.254 19.307 -5.821 1.00 0.00 H new ATOM 0 HG CYS A 133 12.770 21.740 -7.167 1.00 0.00 H new ATOM 2059 N THR A 134 13.543 16.498 -5.821 1.00 0.00 N ATOM 2060 CA THR A 134 14.708 15.619 -5.799 1.00 0.00 C ATOM 2061 C THR A 134 14.325 14.227 -5.311 1.00 0.00 C ATOM 2062 O THR A 134 14.890 13.225 -5.752 1.00 0.00 O ATOM 2063 CB THR A 134 15.804 16.207 -4.908 1.00 0.00 C ATOM 2064 OG1 THR A 134 16.794 15.235 -4.626 1.00 0.00 O ATOM 2065 CG2 THR A 134 15.284 16.730 -3.586 1.00 0.00 C ATOM 0 H THR A 134 13.084 16.610 -4.917 1.00 0.00 H new ATOM 0 HA THR A 134 15.090 15.535 -6.816 1.00 0.00 H new ATOM 0 HB THR A 134 16.219 17.042 -5.472 1.00 0.00 H new ATOM 0 HG1 THR A 134 17.487 15.630 -4.056 1.00 0.00 H new ATOM 0 HG21 THR A 134 16.112 17.133 -3.003 1.00 0.00 H new ATOM 0 HG22 THR A 134 14.552 17.517 -3.769 1.00 0.00 H new ATOM 0 HG23 THR A 134 14.813 15.917 -3.033 1.00 0.00 H new ATOM 2073 N LYS A 135 13.355 14.171 -4.405 1.00 0.00 N ATOM 2074 CA LYS A 135 12.882 12.906 -3.861 1.00 0.00 C ATOM 2075 C LYS A 135 12.017 12.158 -4.879 1.00 0.00 C ATOM 2076 O LYS A 135 11.592 11.031 -4.627 1.00 0.00 O ATOM 2077 CB LYS A 135 12.087 13.148 -2.575 1.00 0.00 C ATOM 2078 CG LYS A 135 12.839 12.758 -1.311 1.00 0.00 C ATOM 2079 CD LYS A 135 12.143 11.626 -0.572 1.00 0.00 C ATOM 2080 CE LYS A 135 13.098 10.896 0.359 1.00 0.00 C ATOM 2081 NZ LYS A 135 12.933 11.326 1.775 1.00 0.00 N ATOM 0 H LYS A 135 12.880 14.992 -4.031 1.00 0.00 H new ATOM 0 HA LYS A 135 13.752 12.289 -3.634 1.00 0.00 H new ATOM 0 HB2 LYS A 135 11.818 14.203 -2.517 1.00 0.00 H new ATOM 0 HB3 LYS A 135 11.155 12.584 -2.622 1.00 0.00 H new ATOM 0 HG2 LYS A 135 13.854 12.455 -1.570 1.00 0.00 H new ATOM 0 HG3 LYS A 135 12.923 13.624 -0.655 1.00 0.00 H new ATOM 0 HD2 LYS A 135 11.307 12.025 0.003 1.00 0.00 H new ATOM 0 HD3 LYS A 135 11.727 10.922 -1.292 1.00 0.00 H new ATOM 0 HE2 LYS A 135 12.928 9.822 0.284 1.00 0.00 H new ATOM 0 HE3 LYS A 135 14.125 11.079 0.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 13.868 11.500 2.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 12.370 12.200 1.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 12.446 10.579 2.310 1.00 0.00 H new ATOM 2095 N SER A 136 11.754 12.796 -6.022 1.00 0.00 N ATOM 2096 CA SER A 136 10.931 12.202 -7.080 1.00 0.00 C ATOM 2097 C SER A 136 11.237 10.718 -7.288 1.00 0.00 C ATOM 2098 O SER A 136 10.376 9.957 -7.731 1.00 0.00 O ATOM 2099 CB SER A 136 11.139 12.959 -8.393 1.00 0.00 C ATOM 2100 OG SER A 136 12.517 13.082 -8.698 1.00 0.00 O ATOM 0 H SER A 136 12.101 13.730 -6.240 1.00 0.00 H new ATOM 0 HA SER A 136 9.891 12.283 -6.764 1.00 0.00 H new ATOM 0 HB2 SER A 136 10.629 12.436 -9.202 1.00 0.00 H new ATOM 0 HB3 SER A 136 10.690 13.949 -8.321 1.00 0.00 H new ATOM 0 HG SER A 136 12.623 13.568 -9.542 1.00 0.00 H new ATOM 2106 N TRP A 137 12.463 10.310 -6.972 1.00 0.00 N ATOM 2107 CA TRP A 137 12.871 8.918 -7.133 1.00 0.00 C ATOM 2108 C TRP A 137 12.127 7.985 -6.172 1.00 0.00 C ATOM 2109 O TRP A 137 12.289 6.767 -6.240 1.00 0.00 O ATOM 2110 CB TRP A 137 14.380 8.781 -6.920 1.00 0.00 C ATOM 2111 CG TRP A 137 14.878 9.495 -5.701 1.00 0.00 C ATOM 2112 CD1 TRP A 137 14.362 9.420 -4.438 1.00 0.00 C ATOM 2113 CD2 TRP A 137 15.990 10.395 -5.628 1.00 0.00 C ATOM 2114 NE1 TRP A 137 15.085 10.218 -3.586 1.00 0.00 N ATOM 2115 CE2 TRP A 137 16.089 10.826 -4.291 1.00 0.00 C ATOM 2116 CE3 TRP A 137 16.910 10.878 -6.562 1.00 0.00 C ATOM 2117 CZ2 TRP A 137 17.073 11.717 -3.867 1.00 0.00 C ATOM 2118 CZ3 TRP A 137 17.886 11.761 -6.140 1.00 0.00 C ATOM 2119 CH2 TRP A 137 17.961 12.172 -4.803 1.00 0.00 C ATOM 0 H TRP A 137 13.190 10.923 -6.603 1.00 0.00 H new ATOM 0 HA TRP A 137 12.615 8.622 -8.150 1.00 0.00 H new ATOM 0 HB2 TRP A 137 14.633 7.724 -6.841 1.00 0.00 H new ATOM 0 HB3 TRP A 137 14.899 9.169 -7.796 1.00 0.00 H new ATOM 0 HD1 TRP A 137 13.510 8.821 -4.152 1.00 0.00 H new ATOM 0 HE1 TRP A 137 14.904 10.338 -2.590 1.00 0.00 H new ATOM 0 HE3 TRP A 137 16.859 10.567 -7.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 137 17.132 12.037 -2.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 137 18.603 12.140 -6.853 1.00 0.00 H new ATOM 0 HH2 TRP A 137 18.736 12.863 -4.505 1.00 0.00 H new ATOM 2130 N PHE A 138 11.314 8.551 -5.278 1.00 0.00 N ATOM 2131 CA PHE A 138 10.563 7.753 -4.318 1.00 0.00 C ATOM 2132 C PHE A 138 9.798 6.623 -5.005 1.00 0.00 C ATOM 2133 O PHE A 138 9.501 5.601 -4.389 1.00 0.00 O ATOM 2134 CB PHE A 138 9.595 8.641 -3.534 1.00 0.00 C ATOM 2135 CG PHE A 138 8.773 9.560 -4.395 1.00 0.00 C ATOM 2136 CD1 PHE A 138 7.854 9.051 -5.299 1.00 0.00 C ATOM 2137 CD2 PHE A 138 8.920 10.934 -4.298 1.00 0.00 C ATOM 2138 CE1 PHE A 138 7.097 9.896 -6.088 1.00 0.00 C ATOM 2139 CE2 PHE A 138 8.167 11.784 -5.086 1.00 0.00 C ATOM 2140 CZ PHE A 138 7.254 11.264 -5.981 1.00 0.00 C ATOM 0 H PHE A 138 11.162 9.557 -5.202 1.00 0.00 H new ATOM 0 HA PHE A 138 11.278 7.304 -3.629 1.00 0.00 H new ATOM 0 HB2 PHE A 138 8.924 8.006 -2.955 1.00 0.00 H new ATOM 0 HB3 PHE A 138 10.163 9.239 -2.821 1.00 0.00 H new ATOM 0 HD1 PHE A 138 7.728 7.982 -5.388 1.00 0.00 H new ATOM 0 HD2 PHE A 138 9.632 11.346 -3.598 1.00 0.00 H new ATOM 0 HE1 PHE A 138 6.383 9.487 -6.788 1.00 0.00 H new ATOM 0 HE2 PHE A 138 8.293 12.853 -5.002 1.00 0.00 H new ATOM 0 HZ PHE A 138 6.663 11.926 -6.597 1.00 0.00 H new ATOM 2150 N TRP A 139 9.484 6.810 -6.286 1.00 0.00 N ATOM 2151 CA TRP A 139 8.757 5.801 -7.047 1.00 0.00 C ATOM 2152 C TRP A 139 9.508 4.474 -7.043 1.00 0.00 C ATOM 2153 O TRP A 139 8.911 3.412 -6.861 1.00 0.00 O ATOM 2154 CB TRP A 139 8.545 6.272 -8.487 1.00 0.00 C ATOM 2155 CG TRP A 139 7.410 7.239 -8.636 1.00 0.00 C ATOM 2156 CD1 TRP A 139 6.163 7.128 -8.093 1.00 0.00 C ATOM 2157 CD2 TRP A 139 7.418 8.464 -9.377 1.00 0.00 C ATOM 2158 NE1 TRP A 139 5.393 8.209 -8.453 1.00 0.00 N ATOM 2159 CE2 TRP A 139 6.142 9.043 -9.241 1.00 0.00 C ATOM 2160 CE3 TRP A 139 8.381 9.126 -10.144 1.00 0.00 C ATOM 2161 CZ2 TRP A 139 5.806 10.254 -9.842 1.00 0.00 C ATOM 2162 CZ3 TRP A 139 8.046 10.328 -10.740 1.00 0.00 C ATOM 2163 CH2 TRP A 139 6.769 10.881 -10.585 1.00 0.00 C ATOM 0 H TRP A 139 9.722 7.649 -6.815 1.00 0.00 H new ATOM 0 HA TRP A 139 7.787 5.653 -6.573 1.00 0.00 H new ATOM 0 HB2 TRP A 139 9.461 6.740 -8.847 1.00 0.00 H new ATOM 0 HB3 TRP A 139 8.360 5.405 -9.121 1.00 0.00 H new ATOM 0 HD1 TRP A 139 5.829 6.310 -7.471 1.00 0.00 H new ATOM 0 HE1 TRP A 139 4.423 8.365 -8.178 1.00 0.00 H new ATOM 0 HE3 TRP A 139 9.368 8.707 -10.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 4.821 10.682 -9.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 8.782 10.849 -11.335 1.00 0.00 H new ATOM 0 HH2 TRP A 139 6.539 11.822 -11.062 1.00 0.00 H new ATOM 2174 N THR A 140 10.819 4.542 -7.244 1.00 0.00 N ATOM 2175 CA THR A 140 11.654 3.348 -7.261 1.00 0.00 C ATOM 2176 C THR A 140 11.816 2.778 -5.856 1.00 0.00 C ATOM 2177 O THR A 140 11.882 1.563 -5.673 1.00 0.00 O ATOM 2178 CB THR A 140 13.027 3.672 -7.855 1.00 0.00 C ATOM 2179 OG1 THR A 140 12.896 4.212 -9.157 1.00 0.00 O ATOM 2180 CG2 THR A 140 13.939 2.468 -7.946 1.00 0.00 C ATOM 0 H THR A 140 11.327 5.413 -7.398 1.00 0.00 H new ATOM 0 HA THR A 140 11.164 2.599 -7.882 1.00 0.00 H new ATOM 0 HB THR A 140 13.474 4.395 -7.172 1.00 0.00 H new ATOM 0 HG1 THR A 140 13.784 4.414 -9.518 1.00 0.00 H new ATOM 0 HG21 THR A 140 14.895 2.767 -8.375 1.00 0.00 H new ATOM 0 HG22 THR A 140 14.101 2.058 -6.949 1.00 0.00 H new ATOM 0 HG23 THR A 140 13.478 1.710 -8.579 1.00 0.00 H new ATOM 2188 N ARG A 141 11.878 3.664 -4.866 1.00 0.00 N ATOM 2189 CA ARG A 141 12.032 3.250 -3.475 1.00 0.00 C ATOM 2190 C ARG A 141 10.909 2.303 -3.059 1.00 0.00 C ATOM 2191 O ARG A 141 11.160 1.240 -2.491 1.00 0.00 O ATOM 2192 CB ARG A 141 12.052 4.475 -2.557 1.00 0.00 C ATOM 2193 CG ARG A 141 13.451 4.900 -2.142 1.00 0.00 C ATOM 2194 CD ARG A 141 13.573 5.031 -0.633 1.00 0.00 C ATOM 2195 NE ARG A 141 13.320 3.764 0.050 1.00 0.00 N ATOM 2196 CZ ARG A 141 14.215 2.783 0.148 1.00 0.00 C ATOM 2197 NH1 ARG A 141 15.421 2.920 -0.388 1.00 0.00 N ATOM 2198 NH2 ARG A 141 13.903 1.663 0.783 1.00 0.00 N ATOM 0 H ARG A 141 11.824 4.674 -5.001 1.00 0.00 H new ATOM 0 HA ARG A 141 12.980 2.719 -3.382 1.00 0.00 H new ATOM 0 HB2 ARG A 141 11.564 5.307 -3.064 1.00 0.00 H new ATOM 0 HB3 ARG A 141 11.467 4.259 -1.663 1.00 0.00 H new ATOM 0 HG2 ARG A 141 14.176 4.170 -2.504 1.00 0.00 H new ATOM 0 HG3 ARG A 141 13.696 5.853 -2.611 1.00 0.00 H new ATOM 0 HD2 ARG A 141 14.572 5.386 -0.380 1.00 0.00 H new ATOM 0 HD3 ARG A 141 12.868 5.782 -0.276 1.00 0.00 H new ATOM 0 HE ARG A 141 12.404 3.623 0.477 1.00 0.00 H new ATOM 0 HH11 ARG A 141 15.667 3.780 -0.878 1.00 0.00 H new ATOM 0 HH12 ARG A 141 16.103 2.165 -0.310 1.00 0.00 H new ATOM 0 HH21 ARG A 141 12.977 1.552 1.197 1.00 0.00 H new ATOM 0 HH22 ARG A 141 14.588 0.911 0.858 1.00 0.00 H new ATOM 2212 N LEU A 142 9.674 2.697 -3.344 1.00 0.00 N ATOM 2213 CA LEU A 142 8.514 1.882 -2.999 1.00 0.00 C ATOM 2214 C LEU A 142 8.391 0.686 -3.937 1.00 0.00 C ATOM 2215 O LEU A 142 7.939 -0.387 -3.538 1.00 0.00 O ATOM 2216 CB LEU A 142 7.238 2.723 -3.057 1.00 0.00 C ATOM 2217 CG LEU A 142 6.077 2.201 -2.208 1.00 0.00 C ATOM 2218 CD1 LEU A 142 6.411 2.304 -0.727 1.00 0.00 C ATOM 2219 CD2 LEU A 142 4.802 2.966 -2.524 1.00 0.00 C ATOM 0 H LEU A 142 9.449 3.575 -3.813 1.00 0.00 H new ATOM 0 HA LEU A 142 8.651 1.512 -1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 142 7.475 3.737 -2.736 1.00 0.00 H new ATOM 0 HB3 LEU A 142 6.910 2.786 -4.094 1.00 0.00 H new ATOM 0 HG LEU A 142 5.916 1.151 -2.450 1.00 0.00 H new ATOM 0 HD11 LEU A 142 5.574 1.928 -0.138 1.00 0.00 H new ATOM 0 HD12 LEU A 142 7.300 1.711 -0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 142 6.598 3.346 -0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 142 3.986 2.582 -1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 142 4.950 4.024 -2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 142 4.554 2.841 -3.578 1.00 0.00 H new ATOM 2231 N ALA A 143 8.798 0.878 -5.188 1.00 0.00 N ATOM 2232 CA ALA A 143 8.735 -0.184 -6.184 1.00 0.00 C ATOM 2233 C ALA A 143 9.681 -1.325 -5.831 1.00 0.00 C ATOM 2234 O ALA A 143 9.399 -2.491 -6.112 1.00 0.00 O ATOM 2235 CB ALA A 143 9.060 0.367 -7.565 1.00 0.00 C ATOM 0 H ALA A 143 9.175 1.760 -5.535 1.00 0.00 H new ATOM 0 HA ALA A 143 7.719 -0.580 -6.193 1.00 0.00 H new ATOM 0 HB1 ALA A 143 9.009 -0.437 -8.299 1.00 0.00 H new ATOM 0 HB2 ALA A 143 8.340 1.142 -7.826 1.00 0.00 H new ATOM 0 HB3 ALA A 143 10.064 0.791 -7.560 1.00 0.00 H new ATOM 2241 N LYS A 144 10.807 -0.984 -5.213 1.00 0.00 N ATOM 2242 CA LYS A 144 11.796 -1.982 -4.820 1.00 0.00 C ATOM 2243 C LYS A 144 11.544 -2.478 -3.398 1.00 0.00 C ATOM 2244 O LYS A 144 12.003 -3.554 -3.017 1.00 0.00 O ATOM 2245 CB LYS A 144 13.207 -1.403 -4.931 1.00 0.00 C ATOM 2246 CG LYS A 144 13.483 -0.274 -3.948 1.00 0.00 C ATOM 2247 CD LYS A 144 14.794 -0.484 -3.210 1.00 0.00 C ATOM 2248 CE LYS A 144 14.753 -1.734 -2.347 1.00 0.00 C ATOM 2249 NZ LYS A 144 16.087 -2.391 -2.258 1.00 0.00 N ATOM 0 H LYS A 144 11.058 -0.025 -4.973 1.00 0.00 H new ATOM 0 HA LYS A 144 11.704 -2.831 -5.498 1.00 0.00 H new ATOM 0 HB2 LYS A 144 13.932 -2.201 -4.768 1.00 0.00 H new ATOM 0 HB3 LYS A 144 13.361 -1.036 -5.946 1.00 0.00 H new ATOM 0 HG2 LYS A 144 13.514 0.675 -4.483 1.00 0.00 H new ATOM 0 HG3 LYS A 144 12.666 -0.209 -3.229 1.00 0.00 H new ATOM 0 HD2 LYS A 144 15.609 -0.564 -3.929 1.00 0.00 H new ATOM 0 HD3 LYS A 144 15.004 0.384 -2.585 1.00 0.00 H new ATOM 0 HE2 LYS A 144 14.409 -1.473 -1.346 1.00 0.00 H new ATOM 0 HE3 LYS A 144 14.029 -2.437 -2.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 16.017 -3.240 -1.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 16.404 -2.663 -3.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 16.773 -1.730 -1.841 1.00 0.00 H new ATOM 2263 N ALA A 145 10.808 -1.691 -2.615 1.00 0.00 N ATOM 2264 CA ALA A 145 10.497 -2.057 -1.240 1.00 0.00 C ATOM 2265 C ALA A 145 9.314 -3.017 -1.180 1.00 0.00 C ATOM 2266 O ALA A 145 9.116 -3.710 -0.182 1.00 0.00 O ATOM 2267 CB ALA A 145 10.205 -0.813 -0.413 1.00 0.00 C ATOM 0 H ALA A 145 10.417 -0.797 -2.912 1.00 0.00 H new ATOM 0 HA ALA A 145 11.367 -2.564 -0.823 1.00 0.00 H new ATOM 0 HB1 ALA A 145 9.974 -1.103 0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 145 11.078 -0.160 -0.418 1.00 0.00 H new ATOM 0 HB3 ALA A 145 9.353 -0.284 -0.840 1.00 0.00 H new ATOM 2273 N LEU A 146 8.529 -3.054 -2.252 1.00 0.00 N ATOM 2274 CA LEU A 146 7.369 -3.922 -2.321 1.00 0.00 C ATOM 2275 C LEU A 146 7.728 -5.264 -2.952 1.00 0.00 C ATOM 2276 O LEU A 146 7.078 -6.277 -2.691 1.00 0.00 O ATOM 2277 CB LEU A 146 6.263 -3.245 -3.128 1.00 0.00 C ATOM 2278 CG LEU A 146 5.565 -2.078 -2.424 1.00 0.00 C ATOM 2279 CD1 LEU A 146 4.682 -1.318 -3.401 1.00 0.00 C ATOM 2280 CD2 LEU A 146 4.748 -2.578 -1.242 1.00 0.00 C ATOM 0 H LEU A 146 8.680 -2.488 -3.087 1.00 0.00 H new ATOM 0 HA LEU A 146 7.016 -4.106 -1.306 1.00 0.00 H new ATOM 0 HB2 LEU A 146 6.688 -2.882 -4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 146 5.514 -3.993 -3.387 1.00 0.00 H new ATOM 0 HG LEU A 146 6.328 -1.396 -2.049 1.00 0.00 H new ATOM 0 HD11 LEU A 146 4.194 -0.492 -2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 146 5.293 -0.926 -4.214 1.00 0.00 H new ATOM 0 HD13 LEU A 146 3.926 -1.990 -3.806 1.00 0.00 H new ATOM 0 HD21 LEU A 146 4.260 -1.734 -0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 146 3.993 -3.281 -1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 146 5.406 -3.077 -0.530 1.00 0.00 H new ATOM 2292 N SER A 147 8.763 -5.264 -3.785 1.00 0.00 N ATOM 2293 CA SER A 147 9.204 -6.480 -4.453 1.00 0.00 C ATOM 2294 C SER A 147 10.722 -6.623 -4.390 1.00 0.00 C ATOM 2295 O SER A 147 11.377 -6.853 -5.407 1.00 0.00 O ATOM 2296 CB SER A 147 8.737 -6.481 -5.911 1.00 0.00 C ATOM 2297 OG SER A 147 9.273 -5.378 -6.620 1.00 0.00 O ATOM 0 H SER A 147 9.311 -4.435 -4.013 1.00 0.00 H new ATOM 0 HA SER A 147 8.760 -7.330 -3.934 1.00 0.00 H new ATOM 0 HB2 SER A 147 9.042 -7.410 -6.393 1.00 0.00 H new ATOM 0 HB3 SER A 147 7.648 -6.446 -5.947 1.00 0.00 H new ATOM 0 HG SER A 147 9.016 -4.545 -6.172 1.00 0.00 H new