USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 660 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 89 TYR OH : rot 180:sc= -0.591 USER MOD Set 1.2: A 96 SER OG : rot 81:sc= 0.418 USER MOD Set 2.1: A 36 TYR OH : rot 180:sc= 1.01 USER MOD Set 2.2: A 74 SER OG : rot -107:sc= 1.22 USER MOD Set 3.1: A 64 SER OG : rot -74:sc= 0.928 USER MOD Set 3.2: A 66 GLN : amide:sc= 0.811 K(o=1.7,f=-2.8!) USER MOD Single : A 5 LYS NZ :NH3+ 163:sc= 1.22 (180deg=0.897) USER MOD Single : A 6 HIS : no HE2:sc= -5.74! C(o=-5.7!,f=-17!) USER MOD Single : A 11 THR OG1 : rot 107:sc= 0.638 USER MOD Single : A 16 LYS NZ :NH3+ 174:sc=-0.00276 (180deg=-0.0628) USER MOD Single : A 17 ASN : amide:sc= -0.158 X(o=-0.16,f=-0.14) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 156:sc= -0.164 (180deg=-0.777) USER MOD Single : A 42 ASN : amide:sc= -0.15 X(o=-0.15,f=-0.011) USER MOD Single : A 43 THR OG1 : rot 110:sc= -1.68! USER MOD Single : A 47 ASN : amide:sc= -1.49 K(o=-1.5,f=-4.6!) USER MOD Single : A 48 ASN :FLIP amide:sc= -0.0759 F(o=-2,f=-0.076) USER MOD Single : A 49 ASN : amide:sc= -0.418 K(o=-0.42,f=-1) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.129 K(o=-0.13,f=-1.3) USER MOD Single : A 56 ASN :FLIP amide:sc= -1.12 F(o=-3.9,f=-1.1) USER MOD Single : A 62 THR OG1 : rot -87:sc= 1.24 USER MOD Single : A 67 ASN : amide:sc= 0.743 K(o=0.74,f=-6!) USER MOD Single : A 70 SER OG : rot 145:sc= 0.735 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.445 K(o=-0.45,f=-4!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 160:sc= 1.11 (180deg=0.761) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 168:sc=-0.00225 (180deg=-0.163) USER MOD Single : A 85 THR OG1 : rot -13:sc= -1.37! USER MOD Single : A 87 ASN :FLIP amide:sc= -4.39! C(o=-5.8!,f=-4.4!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot -77:sc= 0.451 USER MOD ----------------------------------------------------------------- ATOM 26 N ASP A 3 15.007 -6.071 2.082 1.00 0.00 N ATOM 27 CA ASP A 3 13.958 -6.355 3.065 1.00 0.00 C ATOM 28 C ASP A 3 13.045 -5.142 3.254 1.00 0.00 C ATOM 29 O ASP A 3 13.422 -4.149 3.867 1.00 0.00 O ATOM 30 CB ASP A 3 14.573 -6.780 4.400 1.00 0.00 C ATOM 31 CG ASP A 3 15.750 -5.919 4.819 1.00 0.00 C ATOM 32 OD1 ASP A 3 16.890 -6.247 4.441 1.00 0.00 O ATOM 33 OD2 ASP A 3 15.547 -4.918 5.531 1.00 0.00 O ATOM 0 HA ASP A 3 13.353 -7.179 2.687 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.807 -6.738 5.175 1.00 0.00 H new ATOM 0 HB3 ASP A 3 14.898 -7.818 4.328 1.00 0.00 H new ATOM 38 N PRO A 4 11.829 -5.229 2.684 1.00 0.00 N ATOM 39 CA PRO A 4 10.885 -4.104 2.526 1.00 0.00 C ATOM 40 C PRO A 4 10.698 -3.139 3.721 1.00 0.00 C ATOM 41 O PRO A 4 10.301 -1.996 3.503 1.00 0.00 O ATOM 42 CB PRO A 4 9.556 -4.784 2.199 1.00 0.00 C ATOM 43 CG PRO A 4 9.810 -6.253 2.181 1.00 0.00 C ATOM 44 CD PRO A 4 11.281 -6.456 2.074 1.00 0.00 C ATOM 0 HA PRO A 4 11.287 -3.436 1.764 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.801 -4.532 2.944 1.00 0.00 H new ATOM 0 HB3 PRO A 4 9.177 -4.446 1.234 1.00 0.00 H new ATOM 0 HG2 PRO A 4 9.424 -6.719 3.088 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.297 -6.720 1.340 1.00 0.00 H new ATOM 0 HD2 PRO A 4 11.605 -7.351 2.606 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.599 -6.568 1.037 1.00 0.00 H new ATOM 52 N LYS A 5 10.994 -3.549 4.958 1.00 0.00 N ATOM 53 CA LYS A 5 10.715 -2.686 6.130 1.00 0.00 C ATOM 54 C LYS A 5 11.701 -1.530 6.305 1.00 0.00 C ATOM 55 O LYS A 5 11.766 -0.932 7.376 1.00 0.00 O ATOM 56 CB LYS A 5 10.613 -3.472 7.440 1.00 0.00 C ATOM 57 CG LYS A 5 11.622 -4.595 7.615 1.00 0.00 C ATOM 58 CD LYS A 5 13.047 -4.100 7.729 1.00 0.00 C ATOM 59 CE LYS A 5 13.974 -5.235 8.118 1.00 0.00 C ATOM 60 NZ LYS A 5 15.389 -4.794 8.211 1.00 0.00 N ATOM 0 H LYS A 5 11.417 -4.450 5.181 1.00 0.00 H new ATOM 0 HA LYS A 5 9.741 -2.254 5.902 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.725 -2.775 8.270 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.611 -3.894 7.512 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.370 -5.166 8.508 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.547 -5.278 6.768 1.00 0.00 H new ATOM 0 HD2 LYS A 5 13.366 -3.671 6.779 1.00 0.00 H new ATOM 0 HD3 LYS A 5 13.104 -3.305 8.473 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.659 -5.647 9.077 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.892 -6.037 7.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 15.938 -5.498 8.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 15.786 -4.699 7.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 15.435 -3.876 8.698 1.00 0.00 H new ATOM 74 N HIS A 6 12.470 -1.226 5.275 1.00 0.00 N ATOM 75 CA HIS A 6 13.421 -0.110 5.324 1.00 0.00 C ATOM 76 C HIS A 6 12.712 1.247 5.237 1.00 0.00 C ATOM 77 O HIS A 6 13.298 2.230 4.789 1.00 0.00 O ATOM 78 CB HIS A 6 14.470 -0.233 4.218 1.00 0.00 C ATOM 79 CG HIS A 6 13.899 -0.607 2.903 1.00 0.00 C ATOM 80 ND1 HIS A 6 13.498 -1.882 2.600 1.00 0.00 N ATOM 81 CD2 HIS A 6 13.629 0.139 1.823 1.00 0.00 C ATOM 82 CE1 HIS A 6 12.993 -1.909 1.391 1.00 0.00 C ATOM 83 NE2 HIS A 6 13.060 -0.692 0.884 1.00 0.00 N ATOM 0 H HIS A 6 12.461 -1.732 4.389 1.00 0.00 H new ATOM 0 HA HIS A 6 13.925 -0.162 6.289 1.00 0.00 H new ATOM 0 HB2 HIS A 6 14.997 0.716 4.120 1.00 0.00 H new ATOM 0 HB3 HIS A 6 15.209 -0.979 4.510 1.00 0.00 H new ATOM 0 HD1 HIS A 6 13.580 -2.687 3.221 1.00 0.00 H new ATOM 0 HD2 HIS A 6 13.822 1.196 1.710 1.00 0.00 H new ATOM 0 HE1 HIS A 6 12.590 -2.779 0.894 1.00 0.00 H new ATOM 92 N VAL A 7 11.437 1.251 5.643 1.00 0.00 N ATOM 93 CA VAL A 7 10.627 2.458 5.860 1.00 0.00 C ATOM 94 C VAL A 7 10.685 3.465 4.704 1.00 0.00 C ATOM 95 O VAL A 7 10.951 3.101 3.561 1.00 0.00 O ATOM 96 CB VAL A 7 10.983 3.121 7.214 1.00 0.00 C ATOM 97 CG1 VAL A 7 10.840 2.092 8.329 1.00 0.00 C ATOM 98 CG2 VAL A 7 12.380 3.731 7.218 1.00 0.00 C ATOM 0 H VAL A 7 10.924 0.390 5.836 1.00 0.00 H new ATOM 0 HA VAL A 7 9.590 2.125 5.894 1.00 0.00 H new ATOM 0 HB VAL A 7 10.288 3.945 7.378 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.090 2.554 9.284 1.00 0.00 H new ATOM 0 HG12 VAL A 7 9.813 1.728 8.359 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.515 1.257 8.142 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.577 4.182 8.191 1.00 0.00 H new ATOM 0 HG22 VAL A 7 13.117 2.953 7.022 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.445 4.495 6.444 1.00 0.00 H new ATOM 108 N CYS A 8 10.352 4.719 5.000 1.00 0.00 N ATOM 109 CA CYS A 8 10.211 5.741 3.976 1.00 0.00 C ATOM 110 C CYS A 8 10.345 7.145 4.522 1.00 0.00 C ATOM 111 O CYS A 8 10.152 7.397 5.712 1.00 0.00 O ATOM 112 CB CYS A 8 8.824 5.623 3.361 1.00 0.00 C ATOM 113 SG CYS A 8 8.281 7.088 2.407 1.00 0.00 S ATOM 0 H CYS A 8 10.175 5.049 5.949 1.00 0.00 H new ATOM 0 HA CYS A 8 11.008 5.579 3.250 1.00 0.00 H new ATOM 0 HB2 CYS A 8 8.805 4.752 2.705 1.00 0.00 H new ATOM 0 HB3 CYS A 8 8.103 5.438 4.157 1.00 0.00 H new ATOM 118 N VAL A 9 10.674 8.043 3.607 1.00 0.00 N ATOM 119 CA VAL A 9 10.495 9.463 3.774 1.00 0.00 C ATOM 120 C VAL A 9 10.237 10.034 2.388 1.00 0.00 C ATOM 121 O VAL A 9 11.158 10.231 1.598 1.00 0.00 O ATOM 122 CB VAL A 9 11.764 10.096 4.358 1.00 0.00 C ATOM 123 CG1 VAL A 9 11.784 9.993 5.874 1.00 0.00 C ATOM 124 CG2 VAL A 9 12.971 9.393 3.759 1.00 0.00 C ATOM 0 H VAL A 9 11.083 7.790 2.707 1.00 0.00 H new ATOM 0 HA VAL A 9 9.670 9.671 4.456 1.00 0.00 H new ATOM 0 HB VAL A 9 11.787 11.157 4.108 1.00 0.00 H new ATOM 0 HG11 VAL A 9 12.696 10.451 6.258 1.00 0.00 H new ATOM 0 HG12 VAL A 9 10.917 10.511 6.285 1.00 0.00 H new ATOM 0 HG13 VAL A 9 11.753 8.944 6.168 1.00 0.00 H new ATOM 0 HG21 VAL A 9 13.884 9.830 4.163 1.00 0.00 H new ATOM 0 HG22 VAL A 9 12.935 8.332 4.008 1.00 0.00 H new ATOM 0 HG23 VAL A 9 12.960 9.512 2.676 1.00 0.00 H new ATOM 134 N ASP A 10 8.988 10.283 2.091 1.00 0.00 N ATOM 135 CA ASP A 10 8.611 10.779 0.786 1.00 0.00 C ATOM 136 C ASP A 10 7.741 12.008 0.914 1.00 0.00 C ATOM 137 O ASP A 10 7.124 12.214 1.956 1.00 0.00 O ATOM 138 CB ASP A 10 7.895 9.674 0.004 1.00 0.00 C ATOM 139 CG ASP A 10 7.207 10.161 -1.265 1.00 0.00 C ATOM 140 OD1 ASP A 10 7.906 10.620 -2.192 1.00 0.00 O ATOM 141 OD2 ASP A 10 5.963 10.090 -1.344 1.00 0.00 O ATOM 0 H ASP A 10 8.209 10.151 2.736 1.00 0.00 H new ATOM 0 HA ASP A 10 9.509 11.067 0.239 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.618 8.902 -0.260 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.153 9.207 0.651 1.00 0.00 H new ATOM 146 N THR A 11 7.685 12.800 -0.148 1.00 0.00 N ATOM 147 CA THR A 11 6.687 13.838 -0.286 1.00 0.00 C ATOM 148 C THR A 11 6.715 14.881 0.847 1.00 0.00 C ATOM 149 O THR A 11 7.444 14.752 1.830 1.00 0.00 O ATOM 150 CB THR A 11 5.349 13.086 -0.425 1.00 0.00 C ATOM 151 OG1 THR A 11 5.202 12.621 -1.774 1.00 0.00 O ATOM 152 CG2 THR A 11 4.133 13.885 -0.019 1.00 0.00 C ATOM 0 H THR A 11 8.332 12.737 -0.934 1.00 0.00 H new ATOM 0 HA THR A 11 6.876 14.461 -1.160 1.00 0.00 H new ATOM 0 HB THR A 11 5.396 12.252 0.275 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.338 11.651 -1.802 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.238 13.277 -0.150 1.00 0.00 H new ATOM 0 HG22 THR A 11 4.223 14.178 1.027 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.060 14.777 -0.641 1.00 0.00 H new ATOM 160 N ARG A 12 5.970 15.955 0.656 1.00 0.00 N ATOM 161 CA ARG A 12 5.916 17.030 1.618 1.00 0.00 C ATOM 162 C ARG A 12 4.811 16.751 2.617 1.00 0.00 C ATOM 163 O ARG A 12 4.984 16.887 3.829 1.00 0.00 O ATOM 164 CB ARG A 12 5.652 18.357 0.923 1.00 0.00 C ATOM 165 CG ARG A 12 6.617 18.682 -0.205 1.00 0.00 C ATOM 166 CD ARG A 12 6.287 17.936 -1.482 1.00 0.00 C ATOM 167 NE ARG A 12 7.122 18.350 -2.605 1.00 0.00 N ATOM 168 CZ ARG A 12 6.987 17.873 -3.841 1.00 0.00 C ATOM 169 NH1 ARG A 12 5.992 17.040 -4.132 1.00 0.00 N ATOM 170 NH2 ARG A 12 7.827 18.255 -4.794 1.00 0.00 N ATOM 0 H ARG A 12 5.389 16.102 -0.169 1.00 0.00 H new ATOM 0 HA ARG A 12 6.875 17.092 2.132 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.637 18.348 0.525 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.697 19.156 1.664 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.597 19.754 -0.399 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.632 18.433 0.106 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.412 16.866 -1.316 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.239 18.099 -1.733 1.00 0.00 H new ATOM 0 HE ARG A 12 7.850 19.044 -2.434 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.329 16.764 -3.407 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.892 16.677 -5.080 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.576 18.914 -4.580 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.724 17.890 -5.741 1.00 0.00 H new ATOM 184 N ASP A 13 3.675 16.357 2.078 1.00 0.00 N ATOM 185 CA ASP A 13 2.509 16.014 2.883 1.00 0.00 C ATOM 186 C ASP A 13 1.742 14.854 2.250 1.00 0.00 C ATOM 187 O ASP A 13 0.954 15.045 1.319 1.00 0.00 O ATOM 188 CB ASP A 13 1.605 17.240 3.028 1.00 0.00 C ATOM 189 CG ASP A 13 0.287 16.926 3.706 1.00 0.00 C ATOM 190 OD1 ASP A 13 0.295 16.320 4.796 1.00 0.00 O ATOM 191 OD2 ASP A 13 -0.768 17.301 3.151 1.00 0.00 O ATOM 0 H ASP A 13 3.529 16.264 1.073 1.00 0.00 H new ATOM 0 HA ASP A 13 2.841 15.699 3.872 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.129 18.005 3.601 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.409 17.659 2.041 1.00 0.00 H new ATOM 196 N ILE A 14 2.008 13.651 2.738 1.00 0.00 N ATOM 197 CA ILE A 14 1.349 12.450 2.233 1.00 0.00 C ATOM 198 C ILE A 14 -0.084 12.396 2.741 1.00 0.00 C ATOM 199 O ILE A 14 -0.361 12.783 3.881 1.00 0.00 O ATOM 200 CB ILE A 14 2.129 11.175 2.649 1.00 0.00 C ATOM 201 CG1 ILE A 14 3.506 11.192 2.004 1.00 0.00 C ATOM 202 CG2 ILE A 14 1.395 9.902 2.258 1.00 0.00 C ATOM 203 CD1 ILE A 14 4.629 10.980 2.978 1.00 0.00 C ATOM 0 H ILE A 14 2.679 13.478 3.487 1.00 0.00 H new ATOM 0 HA ILE A 14 1.335 12.490 1.144 1.00 0.00 H new ATOM 0 HB ILE A 14 2.220 11.180 3.735 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.549 10.417 1.239 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.650 12.147 1.499 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.978 9.035 2.569 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.421 9.879 2.747 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.258 9.878 1.177 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.581 11.005 2.447 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.612 11.769 3.730 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.510 10.012 3.465 1.00 0.00 H new ATOM 215 N PRO A 15 -1.019 11.959 1.879 1.00 0.00 N ATOM 216 CA PRO A 15 -2.444 11.892 2.211 1.00 0.00 C ATOM 217 C PRO A 15 -2.717 11.085 3.481 1.00 0.00 C ATOM 218 O PRO A 15 -1.948 10.204 3.857 1.00 0.00 O ATOM 219 CB PRO A 15 -3.046 11.208 0.988 1.00 0.00 C ATOM 220 CG PRO A 15 -2.120 11.562 -0.113 1.00 0.00 C ATOM 221 CD PRO A 15 -0.767 11.488 0.502 1.00 0.00 C ATOM 0 HA PRO A 15 -2.866 12.875 2.420 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.109 10.128 1.125 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.057 11.564 0.789 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.214 10.870 -0.950 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.326 12.560 -0.500 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.368 10.474 0.486 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.049 12.121 -0.019 1.00 0.00 H new ATOM 229 N LYS A 16 -3.838 11.397 4.115 1.00 0.00 N ATOM 230 CA LYS A 16 -4.155 10.935 5.457 1.00 0.00 C ATOM 231 C LYS A 16 -4.379 9.442 5.539 1.00 0.00 C ATOM 232 O LYS A 16 -4.049 8.804 6.536 1.00 0.00 O ATOM 233 CB LYS A 16 -5.396 11.679 5.917 1.00 0.00 C ATOM 234 CG LYS A 16 -5.957 11.223 7.244 1.00 0.00 C ATOM 235 CD LYS A 16 -7.281 11.908 7.515 1.00 0.00 C ATOM 236 CE LYS A 16 -7.946 11.399 8.784 1.00 0.00 C ATOM 237 NZ LYS A 16 -7.100 11.611 9.986 1.00 0.00 N ATOM 0 H LYS A 16 -4.563 11.986 3.705 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.301 11.140 6.103 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.161 12.741 5.984 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.169 11.571 5.156 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.093 10.142 7.237 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.251 11.450 8.043 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.121 12.983 7.598 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.949 11.749 6.669 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.901 11.907 8.920 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.162 10.336 8.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.633 11.343 10.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.243 11.026 9.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.830 12.613 10.048 1.00 0.00 H new ATOM 251 N ASN A 17 -4.947 8.899 4.499 1.00 0.00 N ATOM 252 CA ASN A 17 -5.246 7.483 4.448 1.00 0.00 C ATOM 253 C ASN A 17 -4.211 6.828 3.575 1.00 0.00 C ATOM 254 O ASN A 17 -4.370 5.715 3.096 1.00 0.00 O ATOM 255 CB ASN A 17 -6.645 7.281 3.886 1.00 0.00 C ATOM 256 CG ASN A 17 -7.660 8.110 4.639 1.00 0.00 C ATOM 257 OD1 ASN A 17 -8.351 7.619 5.532 1.00 0.00 O ATOM 258 ND2 ASN A 17 -7.710 9.390 4.310 1.00 0.00 N ATOM 0 H ASN A 17 -5.217 9.417 3.663 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.219 7.038 5.443 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.659 7.554 2.831 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.916 6.227 3.946 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.342 10.019 4.804 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.116 9.748 3.562 1.00 0.00 H new ATOM 265 N ALA A 18 -3.143 7.563 3.376 1.00 0.00 N ATOM 266 CA ALA A 18 -2.084 7.160 2.478 1.00 0.00 C ATOM 267 C ALA A 18 -0.779 6.980 3.226 1.00 0.00 C ATOM 268 O ALA A 18 -0.500 7.677 4.199 1.00 0.00 O ATOM 269 CB ALA A 18 -1.910 8.191 1.381 1.00 0.00 C ATOM 0 H ALA A 18 -2.982 8.461 3.833 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.361 6.204 2.033 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.110 7.877 0.711 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.839 8.284 0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.656 9.154 1.824 1.00 0.00 H new ATOM 275 N GLY A 19 0.011 6.037 2.765 1.00 0.00 N ATOM 276 CA GLY A 19 1.324 5.831 3.326 1.00 0.00 C ATOM 277 C GLY A 19 2.397 5.975 2.282 1.00 0.00 C ATOM 278 O GLY A 19 2.140 5.786 1.095 1.00 0.00 O ATOM 0 H GLY A 19 -0.233 5.402 2.005 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.496 6.550 4.127 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.379 4.838 3.771 1.00 0.00 H new ATOM 282 N CYS A 20 3.599 6.295 2.717 1.00 0.00 N ATOM 283 CA CYS A 20 4.682 6.570 1.803 1.00 0.00 C ATOM 284 C CYS A 20 5.703 5.459 1.863 1.00 0.00 C ATOM 285 O CYS A 20 5.843 4.782 2.883 1.00 0.00 O ATOM 286 CB CYS A 20 5.357 7.897 2.138 1.00 0.00 C ATOM 287 SG CYS A 20 6.657 7.781 3.419 1.00 0.00 S ATOM 0 H CYS A 20 3.848 6.370 3.703 1.00 0.00 H new ATOM 0 HA CYS A 20 4.267 6.634 0.797 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.796 8.307 1.228 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.597 8.603 2.472 1.00 0.00 H new ATOM 292 N PHE A 21 6.379 5.241 0.760 1.00 0.00 N ATOM 293 CA PHE A 21 7.503 4.342 0.735 1.00 0.00 C ATOM 294 C PHE A 21 8.708 4.974 0.078 1.00 0.00 C ATOM 295 O PHE A 21 8.594 5.692 -0.901 1.00 0.00 O ATOM 296 CB PHE A 21 7.172 3.049 0.040 1.00 0.00 C ATOM 297 CG PHE A 21 8.377 2.195 -0.154 1.00 0.00 C ATOM 298 CD1 PHE A 21 9.011 1.722 0.947 1.00 0.00 C ATOM 299 CD2 PHE A 21 8.866 1.869 -1.405 1.00 0.00 C ATOM 300 CE1 PHE A 21 10.118 0.926 0.845 1.00 0.00 C ATOM 301 CE2 PHE A 21 9.983 1.072 -1.523 1.00 0.00 C ATOM 302 CZ PHE A 21 10.607 0.599 -0.383 1.00 0.00 C ATOM 0 H PHE A 21 6.166 5.678 -0.137 1.00 0.00 H new ATOM 0 HA PHE A 21 7.744 4.125 1.776 1.00 0.00 H new ATOM 0 HB2 PHE A 21 6.431 2.503 0.624 1.00 0.00 H new ATOM 0 HB3 PHE A 21 6.720 3.263 -0.928 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.634 1.979 1.926 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.372 2.240 -2.291 1.00 0.00 H new ATOM 0 HE1 PHE A 21 10.604 0.557 1.737 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.369 0.818 -2.499 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.481 -0.029 -0.467 1.00 0.00 H new ATOM 312 N ARG A 22 9.854 4.712 0.653 1.00 0.00 N ATOM 313 CA ARG A 22 11.106 5.168 0.109 1.00 0.00 C ATOM 314 C ARG A 22 12.136 4.088 0.336 1.00 0.00 C ATOM 315 O ARG A 22 12.521 3.819 1.471 1.00 0.00 O ATOM 316 CB ARG A 22 11.548 6.482 0.740 1.00 0.00 C ATOM 317 CG ARG A 22 12.944 6.877 0.326 1.00 0.00 C ATOM 318 CD ARG A 22 13.904 6.787 1.481 1.00 0.00 C ATOM 319 NE ARG A 22 15.272 6.831 1.011 1.00 0.00 N ATOM 320 CZ ARG A 22 16.239 7.557 1.578 1.00 0.00 C ATOM 321 NH1 ARG A 22 15.988 8.260 2.678 1.00 0.00 N ATOM 322 NH2 ARG A 22 17.452 7.594 1.042 1.00 0.00 N ATOM 0 H ARG A 22 9.944 4.174 1.515 1.00 0.00 H new ATOM 0 HA ARG A 22 10.990 5.360 -0.958 1.00 0.00 H new ATOM 0 HB2 ARG A 22 10.851 7.271 0.457 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.505 6.393 1.826 1.00 0.00 H new ATOM 0 HG2 ARG A 22 13.283 6.229 -0.482 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.935 7.895 -0.064 1.00 0.00 H new ATOM 0 HD2 ARG A 22 13.725 7.609 2.174 1.00 0.00 H new ATOM 0 HD3 ARG A 22 13.733 5.862 2.032 1.00 0.00 H new ATOM 0 HE ARG A 22 15.513 6.271 0.193 1.00 0.00 H new ATOM 0 HH11 ARG A 22 15.055 8.246 3.091 1.00 0.00 H new ATOM 0 HH12 ARG A 22 16.728 8.814 3.109 1.00 0.00 H new ATOM 0 HH21 ARG A 22 17.650 7.066 0.192 1.00 0.00 H new ATOM 0 HH22 ARG A 22 18.186 8.150 1.480 1.00 0.00 H new ATOM 336 N ASP A 23 12.562 3.451 -0.730 1.00 0.00 N ATOM 337 CA ASP A 23 13.350 2.257 -0.580 1.00 0.00 C ATOM 338 C ASP A 23 14.816 2.562 -0.293 1.00 0.00 C ATOM 339 O ASP A 23 15.197 3.715 -0.086 1.00 0.00 O ATOM 340 CB ASP A 23 13.215 1.333 -1.791 1.00 0.00 C ATOM 341 CG ASP A 23 13.735 1.911 -3.090 1.00 0.00 C ATOM 342 OD1 ASP A 23 14.457 2.924 -3.056 1.00 0.00 O ATOM 343 OD2 ASP A 23 13.422 1.334 -4.150 1.00 0.00 O ATOM 0 H ASP A 23 12.379 3.735 -1.692 1.00 0.00 H new ATOM 0 HA ASP A 23 12.951 1.734 0.289 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.747 0.405 -1.584 1.00 0.00 H new ATOM 0 HB3 ASP A 23 12.164 1.076 -1.919 1.00 0.00 H new ATOM 348 N ASP A 24 15.634 1.519 -0.305 1.00 0.00 N ATOM 349 CA ASP A 24 17.046 1.642 0.025 1.00 0.00 C ATOM 350 C ASP A 24 17.822 2.212 -1.161 1.00 0.00 C ATOM 351 O ASP A 24 19.022 2.483 -1.075 1.00 0.00 O ATOM 352 CB ASP A 24 17.596 0.275 0.427 1.00 0.00 C ATOM 353 CG ASP A 24 18.986 0.343 1.028 1.00 0.00 C ATOM 354 OD1 ASP A 24 19.140 0.930 2.118 1.00 0.00 O ATOM 355 OD2 ASP A 24 19.924 -0.225 0.433 1.00 0.00 O ATOM 0 H ASP A 24 15.340 0.571 -0.542 1.00 0.00 H new ATOM 0 HA ASP A 24 17.162 2.329 0.863 1.00 0.00 H new ATOM 0 HB2 ASP A 24 16.918 -0.185 1.146 1.00 0.00 H new ATOM 0 HB3 ASP A 24 17.618 -0.373 -0.449 1.00 0.00 H new ATOM 360 N ASP A 25 17.117 2.402 -2.267 1.00 0.00 N ATOM 361 CA ASP A 25 17.702 2.948 -3.479 1.00 0.00 C ATOM 362 C ASP A 25 17.456 4.448 -3.555 1.00 0.00 C ATOM 363 O ASP A 25 18.142 5.165 -4.287 1.00 0.00 O ATOM 364 CB ASP A 25 17.096 2.263 -4.708 1.00 0.00 C ATOM 365 CG ASP A 25 17.495 0.802 -4.830 1.00 0.00 C ATOM 366 OD1 ASP A 25 16.820 -0.063 -4.225 1.00 0.00 O ATOM 367 OD2 ASP A 25 18.478 0.503 -5.542 1.00 0.00 O ATOM 0 H ASP A 25 16.124 2.182 -2.348 1.00 0.00 H new ATOM 0 HA ASP A 25 18.777 2.766 -3.459 1.00 0.00 H new ATOM 0 HB2 ASP A 25 16.009 2.334 -4.658 1.00 0.00 H new ATOM 0 HB3 ASP A 25 17.410 2.796 -5.606 1.00 0.00 H new ATOM 372 N GLY A 26 16.475 4.917 -2.793 1.00 0.00 N ATOM 373 CA GLY A 26 16.126 6.324 -2.805 1.00 0.00 C ATOM 374 C GLY A 26 14.877 6.578 -3.619 1.00 0.00 C ATOM 375 O GLY A 26 14.541 7.721 -3.936 1.00 0.00 O ATOM 0 H GLY A 26 15.913 4.344 -2.164 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.972 6.671 -1.783 1.00 0.00 H new ATOM 0 HA3 GLY A 26 16.954 6.902 -3.217 1.00 0.00 H new ATOM 379 N THR A 27 14.209 5.502 -3.975 1.00 0.00 N ATOM 380 CA THR A 27 12.948 5.561 -4.685 1.00 0.00 C ATOM 381 C THR A 27 11.809 5.892 -3.716 1.00 0.00 C ATOM 382 O THR A 27 11.612 5.185 -2.730 1.00 0.00 O ATOM 383 CB THR A 27 12.689 4.207 -5.353 1.00 0.00 C ATOM 384 OG1 THR A 27 13.727 3.929 -6.309 1.00 0.00 O ATOM 385 CG2 THR A 27 11.334 4.159 -6.038 1.00 0.00 C ATOM 0 H THR A 27 14.528 4.553 -3.778 1.00 0.00 H new ATOM 0 HA THR A 27 12.994 6.343 -5.443 1.00 0.00 H new ATOM 0 HB THR A 27 12.690 3.448 -4.571 1.00 0.00 H new ATOM 0 HG1 THR A 27 13.558 3.061 -6.732 1.00 0.00 H new ATOM 0 HG21 THR A 27 11.193 3.181 -6.498 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.548 4.331 -5.302 1.00 0.00 H new ATOM 0 HG23 THR A 27 11.287 4.931 -6.806 1.00 0.00 H new ATOM 393 N GLU A 28 11.064 6.955 -4.000 1.00 0.00 N ATOM 394 CA GLU A 28 10.029 7.431 -3.083 1.00 0.00 C ATOM 395 C GLU A 28 8.658 7.482 -3.751 1.00 0.00 C ATOM 396 O GLU A 28 8.484 8.113 -4.796 1.00 0.00 O ATOM 397 CB GLU A 28 10.403 8.816 -2.558 1.00 0.00 C ATOM 398 CG GLU A 28 11.640 8.832 -1.672 1.00 0.00 C ATOM 399 CD GLU A 28 12.394 10.145 -1.749 1.00 0.00 C ATOM 400 OE1 GLU A 28 13.249 10.293 -2.651 1.00 0.00 O ATOM 401 OE2 GLU A 28 12.150 11.036 -0.914 1.00 0.00 O ATOM 0 H GLU A 28 11.155 7.504 -4.855 1.00 0.00 H new ATOM 0 HA GLU A 28 9.967 6.725 -2.255 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.568 9.482 -3.405 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.561 9.219 -1.995 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.345 8.646 -0.639 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.303 8.018 -1.965 1.00 0.00 H new ATOM 408 N GLU A 29 7.696 6.800 -3.139 1.00 0.00 N ATOM 409 CA GLU A 29 6.329 6.770 -3.634 1.00 0.00 C ATOM 410 C GLU A 29 5.353 6.595 -2.489 1.00 0.00 C ATOM 411 O GLU A 29 5.560 5.756 -1.623 1.00 0.00 O ATOM 412 CB GLU A 29 6.137 5.624 -4.622 1.00 0.00 C ATOM 413 CG GLU A 29 4.672 5.335 -4.927 1.00 0.00 C ATOM 414 CD GLU A 29 4.479 4.221 -5.926 1.00 0.00 C ATOM 415 OE1 GLU A 29 4.688 3.045 -5.563 1.00 0.00 O ATOM 416 OE2 GLU A 29 4.113 4.518 -7.083 1.00 0.00 O ATOM 0 H GLU A 29 7.843 6.255 -2.289 1.00 0.00 H new ATOM 0 HA GLU A 29 6.139 7.718 -4.137 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.655 5.863 -5.551 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.602 4.724 -4.220 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.159 5.076 -4.001 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.202 6.241 -5.309 1.00 0.00 H new ATOM 423 N TRP A 30 4.291 7.371 -2.476 1.00 0.00 N ATOM 424 CA TRP A 30 3.221 7.111 -1.545 1.00 0.00 C ATOM 425 C TRP A 30 2.062 6.448 -2.269 1.00 0.00 C ATOM 426 O TRP A 30 1.899 6.593 -3.483 1.00 0.00 O ATOM 427 CB TRP A 30 2.770 8.384 -0.824 1.00 0.00 C ATOM 428 CG TRP A 30 2.156 9.426 -1.707 1.00 0.00 C ATOM 429 CD1 TRP A 30 2.751 10.560 -2.156 1.00 0.00 C ATOM 430 CD2 TRP A 30 0.824 9.435 -2.224 1.00 0.00 C ATOM 431 NE1 TRP A 30 1.870 11.281 -2.923 1.00 0.00 N ATOM 432 CE2 TRP A 30 0.678 10.609 -2.979 1.00 0.00 C ATOM 433 CE3 TRP A 30 -0.257 8.558 -2.124 1.00 0.00 C ATOM 434 CZ2 TRP A 30 -0.508 10.932 -3.625 1.00 0.00 C ATOM 435 CZ3 TRP A 30 -1.435 8.879 -2.769 1.00 0.00 C ATOM 436 CH2 TRP A 30 -1.551 10.061 -3.508 1.00 0.00 C ATOM 0 H TRP A 30 4.148 8.173 -3.089 1.00 0.00 H new ATOM 0 HA TRP A 30 3.593 6.433 -0.777 1.00 0.00 H new ATOM 0 HB2 TRP A 30 2.049 8.111 -0.053 1.00 0.00 H new ATOM 0 HB3 TRP A 30 3.630 8.820 -0.316 1.00 0.00 H new ATOM 0 HD1 TRP A 30 3.768 10.852 -1.941 1.00 0.00 H new ATOM 0 HE1 TRP A 30 2.070 12.172 -3.377 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.174 7.645 -1.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -0.601 11.841 -4.200 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -2.279 8.208 -2.702 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -2.487 10.289 -3.997 1.00 0.00 H new ATOM 447 N ARG A 31 1.268 5.719 -1.518 1.00 0.00 N ATOM 448 CA ARG A 31 0.127 4.990 -2.048 1.00 0.00 C ATOM 449 C ARG A 31 -1.031 5.123 -1.082 1.00 0.00 C ATOM 450 O ARG A 31 -0.896 5.748 -0.034 1.00 0.00 O ATOM 451 CB ARG A 31 0.437 3.507 -2.272 1.00 0.00 C ATOM 452 CG ARG A 31 1.543 3.237 -3.274 1.00 0.00 C ATOM 453 CD ARG A 31 1.596 1.766 -3.667 1.00 0.00 C ATOM 454 NE ARG A 31 2.833 1.438 -4.375 1.00 0.00 N ATOM 455 CZ ARG A 31 3.095 0.258 -4.939 1.00 0.00 C ATOM 456 NH1 ARG A 31 2.247 -0.754 -4.821 1.00 0.00 N ATOM 457 NH2 ARG A 31 4.235 0.078 -5.591 1.00 0.00 N ATOM 0 H ARG A 31 1.393 5.611 -0.511 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.125 5.419 -3.018 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.712 3.059 -1.317 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.471 3.007 -2.609 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.386 3.847 -4.164 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.501 3.535 -2.849 1.00 0.00 H new ATOM 0 HD2 ARG A 31 1.514 1.148 -2.773 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.741 1.528 -4.299 1.00 0.00 H new ATOM 0 HE ARG A 31 3.547 2.164 -4.442 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.382 -0.636 -4.294 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.460 -1.651 -5.257 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.909 0.841 -5.660 1.00 0.00 H new ATOM 0 HH22 ARG A 31 4.438 -0.823 -6.023 1.00 0.00 H new ATOM 471 N CYS A 32 -2.144 4.509 -1.411 1.00 0.00 N ATOM 472 CA CYS A 32 -3.327 4.593 -0.578 1.00 0.00 C ATOM 473 C CYS A 32 -3.547 3.247 0.050 1.00 0.00 C ATOM 474 O CYS A 32 -3.422 2.212 -0.606 1.00 0.00 O ATOM 475 CB CYS A 32 -4.558 4.980 -1.402 1.00 0.00 C ATOM 476 SG CYS A 32 -6.119 4.698 -0.596 1.00 0.00 S ATOM 0 H CYS A 32 -2.258 3.943 -2.252 1.00 0.00 H new ATOM 0 HA CYS A 32 -3.180 5.360 0.182 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.486 6.036 -1.662 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -4.542 4.420 -2.337 1.00 0.00 H new ATOM 481 N LEU A 33 -3.828 3.284 1.341 1.00 0.00 N ATOM 482 CA LEU A 33 -3.788 2.087 2.161 1.00 0.00 C ATOM 483 C LEU A 33 -4.855 1.096 1.718 1.00 0.00 C ATOM 484 O LEU A 33 -5.790 1.439 0.993 1.00 0.00 O ATOM 485 CB LEU A 33 -3.954 2.406 3.653 1.00 0.00 C ATOM 486 CG LEU A 33 -3.071 3.512 4.245 1.00 0.00 C ATOM 487 CD1 LEU A 33 -2.949 3.340 5.751 1.00 0.00 C ATOM 488 CD2 LEU A 33 -1.695 3.565 3.605 1.00 0.00 C ATOM 0 H LEU A 33 -4.087 4.132 1.844 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.804 1.638 2.024 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.995 2.679 3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.768 1.491 4.215 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.559 4.462 4.028 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.320 4.132 6.158 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.939 3.394 6.205 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.501 2.371 5.971 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.112 4.365 4.061 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.186 2.613 3.757 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.798 3.755 2.537 1.00 0.00 H new ATOM 500 N LEU A 34 -4.704 -0.126 2.190 1.00 0.00 N ATOM 501 CA LEU A 34 -5.471 -1.249 1.710 1.00 0.00 C ATOM 502 C LEU A 34 -6.952 -1.081 1.974 1.00 0.00 C ATOM 503 O LEU A 34 -7.383 -0.932 3.114 1.00 0.00 O ATOM 504 CB LEU A 34 -4.930 -2.512 2.354 1.00 0.00 C ATOM 505 CG LEU A 34 -3.429 -2.679 2.160 1.00 0.00 C ATOM 506 CD1 LEU A 34 -2.934 -3.985 2.746 1.00 0.00 C ATOM 507 CD2 LEU A 34 -3.098 -2.580 0.683 1.00 0.00 C ATOM 0 H LEU A 34 -4.038 -0.365 2.925 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.366 -1.316 0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.154 -2.495 3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.444 -3.377 1.934 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.916 -1.879 2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.859 -4.070 2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.148 -4.008 3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.439 -4.818 2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.024 -2.699 0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.625 -3.364 0.139 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.407 -1.605 0.305 1.00 0.00 H new ATOM 519 N GLY A 35 -7.720 -1.090 0.896 1.00 0.00 N ATOM 520 CA GLY A 35 -9.141 -0.921 1.000 1.00 0.00 C ATOM 521 C GLY A 35 -9.577 0.471 0.613 1.00 0.00 C ATOM 522 O GLY A 35 -10.754 0.708 0.385 1.00 0.00 O ATOM 0 H GLY A 35 -7.374 -1.213 -0.055 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.640 -1.648 0.359 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.456 -1.128 2.023 1.00 0.00 H new ATOM 526 N TYR A 36 -8.631 1.395 0.523 1.00 0.00 N ATOM 527 CA TYR A 36 -8.975 2.785 0.269 1.00 0.00 C ATOM 528 C TYR A 36 -8.830 3.122 -1.204 1.00 0.00 C ATOM 529 O TYR A 36 -8.634 2.238 -2.042 1.00 0.00 O ATOM 530 CB TYR A 36 -8.144 3.748 1.100 1.00 0.00 C ATOM 531 CG TYR A 36 -8.064 3.397 2.566 1.00 0.00 C ATOM 532 CD1 TYR A 36 -8.933 2.479 3.145 1.00 0.00 C ATOM 533 CD2 TYR A 36 -7.118 3.992 3.363 1.00 0.00 C ATOM 534 CE1 TYR A 36 -8.852 2.165 4.481 1.00 0.00 C ATOM 535 CE2 TYR A 36 -7.024 3.689 4.702 1.00 0.00 C ATOM 536 CZ TYR A 36 -7.893 2.774 5.261 1.00 0.00 C ATOM 537 OH TYR A 36 -7.802 2.468 6.598 1.00 0.00 O ATOM 0 H TYR A 36 -7.633 1.211 0.621 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.018 2.904 0.564 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.134 3.783 0.692 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.563 4.749 1.001 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.686 2.004 2.534 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -6.436 4.710 2.932 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -9.533 1.448 4.915 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.272 4.166 5.314 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.073 2.983 7.003 1.00 0.00 H new ATOM 547 N LYS A 37 -8.935 4.404 -1.518 1.00 0.00 N ATOM 548 CA LYS A 37 -8.976 4.841 -2.890 1.00 0.00 C ATOM 549 C LYS A 37 -8.392 6.222 -3.028 1.00 0.00 C ATOM 550 O LYS A 37 -8.335 6.992 -2.071 1.00 0.00 O ATOM 551 CB LYS A 37 -10.413 4.871 -3.385 1.00 0.00 C ATOM 552 CG LYS A 37 -11.319 5.759 -2.548 1.00 0.00 C ATOM 553 CD LYS A 37 -12.764 5.652 -2.983 1.00 0.00 C ATOM 554 CE LYS A 37 -13.658 6.582 -2.177 1.00 0.00 C ATOM 555 NZ LYS A 37 -15.077 6.515 -2.620 1.00 0.00 N ATOM 0 H LYS A 37 -8.993 5.157 -0.832 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.390 4.139 -3.483 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.427 5.220 -4.418 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.811 3.856 -3.386 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.233 5.479 -1.498 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.990 6.795 -2.630 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.845 5.895 -4.042 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.106 4.624 -2.865 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.595 6.320 -1.121 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.296 7.606 -2.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.651 7.164 -2.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.142 6.790 -3.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.431 5.544 -2.504 1.00 0.00 H new ATOM 569 N LYS A 38 -7.957 6.515 -4.228 1.00 0.00 N ATOM 570 CA LYS A 38 -7.544 7.853 -4.586 1.00 0.00 C ATOM 571 C LYS A 38 -8.768 8.750 -4.666 1.00 0.00 C ATOM 572 O LYS A 38 -9.691 8.493 -5.441 1.00 0.00 O ATOM 573 CB LYS A 38 -6.820 7.850 -5.929 1.00 0.00 C ATOM 574 CG LYS A 38 -5.904 9.045 -6.117 1.00 0.00 C ATOM 575 CD LYS A 38 -4.727 8.981 -5.166 1.00 0.00 C ATOM 576 CE LYS A 38 -3.663 8.011 -5.651 1.00 0.00 C ATOM 577 NZ LYS A 38 -3.188 8.324 -7.028 1.00 0.00 N ATOM 0 H LYS A 38 -7.878 5.835 -4.985 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.859 8.228 -3.825 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.235 6.935 -6.017 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.557 7.836 -6.732 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.544 9.074 -7.145 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.462 9.966 -5.949 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.292 9.975 -5.059 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.074 8.677 -4.178 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.816 8.033 -4.965 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.064 6.998 -5.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.233 7.935 -7.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.835 7.901 -7.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.164 9.355 -7.161 1.00 0.00 H new ATOM 591 N GLY A 39 -8.770 9.787 -3.846 1.00 0.00 N ATOM 592 CA GLY A 39 -9.885 10.706 -3.803 1.00 0.00 C ATOM 593 C GLY A 39 -9.779 11.747 -4.891 1.00 0.00 C ATOM 594 O GLY A 39 -10.492 11.688 -5.894 1.00 0.00 O ATOM 0 H GLY A 39 -8.010 10.010 -3.203 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.818 10.154 -3.914 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.918 11.196 -2.830 1.00 0.00 H new ATOM 598 N GLU A 40 -8.897 12.706 -4.687 1.00 0.00 N ATOM 599 CA GLU A 40 -8.552 13.655 -5.725 1.00 0.00 C ATOM 600 C GLU A 40 -7.245 13.237 -6.369 1.00 0.00 C ATOM 601 O GLU A 40 -6.777 12.117 -6.147 1.00 0.00 O ATOM 602 CB GLU A 40 -8.461 15.075 -5.155 1.00 0.00 C ATOM 603 CG GLU A 40 -7.346 15.280 -4.144 1.00 0.00 C ATOM 604 CD GLU A 40 -7.266 16.710 -3.652 1.00 0.00 C ATOM 605 OE1 GLU A 40 -8.294 17.237 -3.177 1.00 0.00 O ATOM 606 OE2 GLU A 40 -6.182 17.319 -3.756 1.00 0.00 O ATOM 0 H GLU A 40 -8.404 12.848 -3.805 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.334 13.660 -6.484 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.320 15.775 -5.979 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.412 15.325 -4.684 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.503 14.615 -3.295 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.394 15.001 -4.596 1.00 0.00 H new ATOM 613 N GLY A 41 -6.676 14.125 -7.163 1.00 0.00 N ATOM 614 CA GLY A 41 -5.449 13.833 -7.885 1.00 0.00 C ATOM 615 C GLY A 41 -4.369 13.154 -7.047 1.00 0.00 C ATOM 616 O GLY A 41 -3.619 12.321 -7.560 1.00 0.00 O ATOM 0 H GLY A 41 -7.046 15.061 -7.326 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.686 13.194 -8.736 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.048 14.764 -8.287 1.00 0.00 H new ATOM 620 N ASN A 42 -4.282 13.490 -5.763 1.00 0.00 N ATOM 621 CA ASN A 42 -3.239 12.926 -4.913 1.00 0.00 C ATOM 622 C ASN A 42 -3.686 12.785 -3.459 1.00 0.00 C ATOM 623 O ASN A 42 -3.052 13.317 -2.548 1.00 0.00 O ATOM 624 CB ASN A 42 -1.961 13.776 -5.008 1.00 0.00 C ATOM 625 CG ASN A 42 -2.198 15.262 -4.759 1.00 0.00 C ATOM 626 OD1 ASN A 42 -2.527 16.016 -5.676 1.00 0.00 O ATOM 627 ND2 ASN A 42 -2.021 15.695 -3.522 1.00 0.00 N ATOM 0 H ASN A 42 -4.912 14.141 -5.294 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.030 11.920 -5.278 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.234 13.406 -4.285 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.521 13.647 -5.997 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.157 16.682 -3.303 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.748 15.042 -2.787 1.00 0.00 H new ATOM 634 N THR A 43 -4.761 12.043 -3.237 1.00 0.00 N ATOM 635 CA THR A 43 -5.215 11.759 -1.881 1.00 0.00 C ATOM 636 C THR A 43 -5.759 10.355 -1.768 1.00 0.00 C ATOM 637 O THR A 43 -6.282 9.801 -2.726 1.00 0.00 O ATOM 638 CB THR A 43 -6.315 12.723 -1.403 1.00 0.00 C ATOM 639 OG1 THR A 43 -7.341 12.840 -2.390 1.00 0.00 O ATOM 640 CG2 THR A 43 -5.745 14.085 -1.070 1.00 0.00 C ATOM 0 H THR A 43 -5.333 11.628 -3.973 1.00 0.00 H new ATOM 0 HA THR A 43 -4.333 11.884 -1.252 1.00 0.00 H new ATOM 0 HB THR A 43 -6.750 12.309 -0.493 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.156 12.402 -2.068 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.547 14.743 -0.735 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.003 13.985 -0.278 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.274 14.509 -1.957 1.00 0.00 H new ATOM 648 N CYS A 44 -5.633 9.787 -0.589 1.00 0.00 N ATOM 649 CA CYS A 44 -6.293 8.532 -0.295 1.00 0.00 C ATOM 650 C CYS A 44 -7.398 8.775 0.701 1.00 0.00 C ATOM 651 O CYS A 44 -7.256 9.580 1.619 1.00 0.00 O ATOM 652 CB CYS A 44 -5.334 7.472 0.243 1.00 0.00 C ATOM 653 SG CYS A 44 -6.153 6.026 0.933 1.00 0.00 S ATOM 0 H CYS A 44 -5.083 10.171 0.179 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.698 8.146 -1.231 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.673 7.152 -0.563 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -4.705 7.922 1.011 1.00 0.00 H new ATOM 658 N VAL A 45 -8.486 8.076 0.503 1.00 0.00 N ATOM 659 CA VAL A 45 -9.652 8.184 1.344 1.00 0.00 C ATOM 660 C VAL A 45 -10.222 6.802 1.527 1.00 0.00 C ATOM 661 O VAL A 45 -10.107 5.967 0.631 1.00 0.00 O ATOM 662 CB VAL A 45 -10.727 9.105 0.732 1.00 0.00 C ATOM 663 CG1 VAL A 45 -10.262 10.554 0.732 1.00 0.00 C ATOM 664 CG2 VAL A 45 -11.057 8.672 -0.690 1.00 0.00 C ATOM 0 H VAL A 45 -8.589 7.405 -0.259 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.356 8.623 2.297 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.624 9.024 1.345 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -11.037 11.185 0.296 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.068 10.874 1.756 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.348 10.643 0.144 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.817 9.334 -1.105 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -10.158 8.723 -1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.433 7.649 -0.681 1.00 0.00 H new ATOM 674 N GLU A 46 -10.808 6.556 2.677 1.00 0.00 N ATOM 675 CA GLU A 46 -11.307 5.238 2.988 1.00 0.00 C ATOM 676 C GLU A 46 -12.393 4.816 2.023 1.00 0.00 C ATOM 677 O GLU A 46 -13.537 5.270 2.108 1.00 0.00 O ATOM 678 CB GLU A 46 -11.849 5.173 4.403 1.00 0.00 C ATOM 679 CG GLU A 46 -10.844 4.691 5.429 1.00 0.00 C ATOM 680 CD GLU A 46 -11.447 4.543 6.809 1.00 0.00 C ATOM 681 OE1 GLU A 46 -12.260 3.617 7.015 1.00 0.00 O ATOM 682 OE2 GLU A 46 -11.118 5.356 7.696 1.00 0.00 O ATOM 0 H GLU A 46 -10.950 7.251 3.410 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.463 4.554 2.896 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.200 6.164 4.692 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.715 4.511 4.419 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.436 3.732 5.110 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.011 5.393 5.474 1.00 0.00 H new ATOM 689 N ASN A 47 -12.021 3.950 1.115 1.00 0.00 N ATOM 690 CA ASN A 47 -12.967 3.352 0.209 1.00 0.00 C ATOM 691 C ASN A 47 -13.673 2.232 0.936 1.00 0.00 C ATOM 692 O ASN A 47 -13.047 1.409 1.596 1.00 0.00 O ATOM 693 CB ASN A 47 -12.255 2.828 -1.035 1.00 0.00 C ATOM 694 CG ASN A 47 -13.186 2.175 -2.033 1.00 0.00 C ATOM 695 OD1 ASN A 47 -14.383 2.446 -2.066 1.00 0.00 O ATOM 696 ND2 ASN A 47 -12.625 1.323 -2.872 1.00 0.00 N ATOM 0 H ASN A 47 -11.058 3.641 0.983 1.00 0.00 H new ATOM 0 HA ASN A 47 -13.695 4.095 -0.119 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -11.735 3.653 -1.521 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.496 2.107 -0.733 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -13.191 0.861 -3.584 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -11.626 1.128 -2.808 1.00 0.00 H new ATOM 703 N ASN A 48 -14.977 2.221 0.861 1.00 0.00 N ATOM 704 CA ASN A 48 -15.740 1.226 1.574 1.00 0.00 C ATOM 705 C ASN A 48 -16.293 0.213 0.592 1.00 0.00 C ATOM 706 O ASN A 48 -17.097 -0.647 0.943 1.00 0.00 O ATOM 707 CB ASN A 48 -16.846 1.882 2.397 1.00 0.00 C ATOM 708 CG ASN A 48 -16.300 2.890 3.403 1.00 0.00 C ATOM 709 OD1 ASN A 48 -15.042 2.725 3.802 1.00 0.00 O flip ATOM 710 ND2 ASN A 48 -16.993 3.822 3.804 1.00 0.00 N flip ATOM 0 H ASN A 48 -15.532 2.883 0.319 1.00 0.00 H new ATOM 0 HA ASN A 48 -15.089 0.702 2.274 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -17.545 2.383 1.728 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -17.407 1.112 2.926 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -17.955 3.920 3.478 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -16.607 4.498 4.463 1.00 0.00 H new ATOM 717 N ASN A 49 -15.832 0.326 -0.647 1.00 0.00 N ATOM 718 CA ASN A 49 -16.106 -0.666 -1.677 1.00 0.00 C ATOM 719 C ASN A 49 -14.827 -0.987 -2.484 1.00 0.00 C ATOM 720 O ASN A 49 -14.814 -0.888 -3.711 1.00 0.00 O ATOM 721 CB ASN A 49 -17.187 -0.138 -2.610 1.00 0.00 C ATOM 722 CG ASN A 49 -17.639 -1.158 -3.642 1.00 0.00 C ATOM 723 OD1 ASN A 49 -17.588 -2.366 -3.407 1.00 0.00 O ATOM 724 ND2 ASN A 49 -18.075 -0.680 -4.794 1.00 0.00 N ATOM 0 H ASN A 49 -15.258 1.107 -0.965 1.00 0.00 H new ATOM 0 HA ASN A 49 -16.448 -1.584 -1.199 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -18.047 0.176 -2.018 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -16.813 0.748 -3.124 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -18.385 -1.319 -5.527 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -18.102 0.328 -4.951 1.00 0.00 H new ATOM 731 N PRO A 50 -13.708 -1.318 -1.807 1.00 0.00 N ATOM 732 CA PRO A 50 -12.473 -1.715 -2.475 1.00 0.00 C ATOM 733 C PRO A 50 -12.633 -3.003 -3.260 1.00 0.00 C ATOM 734 O PRO A 50 -13.181 -3.991 -2.770 1.00 0.00 O ATOM 735 CB PRO A 50 -11.459 -1.901 -1.349 1.00 0.00 C ATOM 736 CG PRO A 50 -12.264 -2.001 -0.110 1.00 0.00 C ATOM 737 CD PRO A 50 -13.543 -1.276 -0.361 1.00 0.00 C ATOM 0 HA PRO A 50 -12.164 -0.965 -3.203 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.861 -2.799 -1.503 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.766 -1.061 -1.301 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.455 -3.044 0.143 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -11.731 -1.562 0.733 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -14.378 -1.757 0.148 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -13.496 -0.250 0.003 1.00 0.00 H new ATOM 745 N THR A 51 -12.163 -2.968 -4.485 1.00 0.00 N ATOM 746 CA THR A 51 -12.210 -4.113 -5.362 1.00 0.00 C ATOM 747 C THR A 51 -10.802 -4.475 -5.798 1.00 0.00 C ATOM 748 O THR A 51 -9.932 -3.601 -5.889 1.00 0.00 O ATOM 749 CB THR A 51 -13.073 -3.836 -6.610 1.00 0.00 C ATOM 750 OG1 THR A 51 -13.232 -5.043 -7.368 1.00 0.00 O ATOM 751 CG2 THR A 51 -12.451 -2.750 -7.488 1.00 0.00 C ATOM 0 H THR A 51 -11.736 -2.141 -4.902 1.00 0.00 H new ATOM 0 HA THR A 51 -12.661 -4.939 -4.812 1.00 0.00 H new ATOM 0 HB THR A 51 -14.048 -3.482 -6.275 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.782 -4.863 -8.159 1.00 0.00 H new ATOM 0 HG21 THR A 51 -13.084 -2.579 -8.359 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.363 -1.826 -6.916 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.462 -3.069 -7.816 1.00 0.00 H new ATOM 759 N CYS A 52 -10.561 -5.745 -6.061 1.00 0.00 N ATOM 760 CA CYS A 52 -9.299 -6.128 -6.639 1.00 0.00 C ATOM 761 C CYS A 52 -9.461 -5.992 -8.136 1.00 0.00 C ATOM 762 O CYS A 52 -10.394 -6.560 -8.705 1.00 0.00 O ATOM 763 CB CYS A 52 -8.960 -7.570 -6.268 1.00 0.00 C ATOM 764 SG CYS A 52 -7.200 -7.989 -6.431 1.00 0.00 S ATOM 0 H CYS A 52 -11.211 -6.511 -5.886 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.487 -5.501 -6.270 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -9.271 -7.751 -5.239 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -9.542 -8.242 -6.899 1.00 0.00 H new ATOM 769 N ASP A 53 -8.523 -5.289 -8.760 1.00 0.00 N ATOM 770 CA ASP A 53 -8.691 -4.793 -10.131 1.00 0.00 C ATOM 771 C ASP A 53 -7.827 -3.564 -10.324 1.00 0.00 C ATOM 772 O ASP A 53 -7.003 -3.500 -11.231 1.00 0.00 O ATOM 773 CB ASP A 53 -10.148 -4.373 -10.395 1.00 0.00 C ATOM 774 CG ASP A 53 -10.397 -3.938 -11.826 1.00 0.00 C ATOM 775 OD1 ASP A 53 -10.199 -2.747 -12.138 1.00 0.00 O ATOM 776 OD2 ASP A 53 -10.823 -4.786 -12.639 1.00 0.00 O ATOM 0 H ASP A 53 -7.627 -5.045 -8.337 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.410 -5.595 -10.814 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -10.808 -5.207 -10.156 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -10.411 -3.556 -9.723 1.00 0.00 H new ATOM 781 N ILE A 54 -8.032 -2.595 -9.431 1.00 0.00 N ATOM 782 CA ILE A 54 -7.421 -1.278 -9.543 1.00 0.00 C ATOM 783 C ILE A 54 -5.909 -1.362 -9.457 1.00 0.00 C ATOM 784 O ILE A 54 -5.216 -1.488 -10.464 1.00 0.00 O ATOM 785 CB ILE A 54 -7.964 -0.342 -8.440 1.00 0.00 C ATOM 786 CG1 ILE A 54 -9.489 -0.237 -8.554 1.00 0.00 C ATOM 787 CG2 ILE A 54 -7.309 1.034 -8.509 1.00 0.00 C ATOM 788 CD1 ILE A 54 -10.144 0.478 -7.390 1.00 0.00 C ATOM 0 H ILE A 54 -8.628 -2.705 -8.610 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.681 -0.870 -10.520 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.714 -0.767 -7.468 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.739 0.287 -9.477 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.908 -1.240 -8.633 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.712 1.669 -7.720 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.232 0.931 -8.377 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.514 1.486 -9.479 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.223 0.512 -7.544 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.926 -0.057 -6.465 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.755 1.494 -7.322 1.00 0.00 H new ATOM 800 N ASN A 55 -5.404 -1.278 -8.253 1.00 0.00 N ATOM 801 CA ASN A 55 -4.019 -1.534 -7.997 1.00 0.00 C ATOM 802 C ASN A 55 -3.942 -2.831 -7.243 1.00 0.00 C ATOM 803 O ASN A 55 -3.414 -2.898 -6.145 1.00 0.00 O ATOM 804 CB ASN A 55 -3.400 -0.400 -7.203 1.00 0.00 C ATOM 805 CG ASN A 55 -1.903 -0.569 -7.053 1.00 0.00 C ATOM 806 OD1 ASN A 55 -1.244 -1.143 -7.916 1.00 0.00 O ATOM 807 ND2 ASN A 55 -1.352 -0.074 -5.967 1.00 0.00 N ATOM 0 H ASN A 55 -5.946 -1.030 -7.425 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.459 -1.604 -8.930 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.611 0.548 -7.698 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.861 -0.353 -6.216 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.346 -0.161 -5.820 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.930 0.397 -5.271 1.00 0.00 H new ATOM 814 N ASN A 56 -4.564 -3.854 -7.823 1.00 0.00 N ATOM 815 CA ASN A 56 -4.639 -5.172 -7.192 1.00 0.00 C ATOM 816 C ASN A 56 -5.421 -5.031 -5.895 1.00 0.00 C ATOM 817 O ASN A 56 -5.135 -5.694 -4.918 1.00 0.00 O ATOM 818 CB ASN A 56 -3.244 -5.748 -6.866 1.00 0.00 C ATOM 819 CG ASN A 56 -2.160 -5.292 -7.799 1.00 0.00 C ATOM 820 OD1 ASN A 56 -1.057 -4.883 -7.212 1.00 0.00 O flip ATOM 821 ND2 ASN A 56 -2.321 -5.272 -9.020 1.00 0.00 N flip ATOM 0 H ASN A 56 -5.025 -3.797 -8.731 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.124 -5.855 -7.889 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.975 -5.466 -5.848 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -3.297 -6.836 -6.892 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -3.198 -5.601 -9.424 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.578 -4.926 -9.627 1.00 0.00 H new ATOM 828 N GLY A 57 -6.370 -4.103 -5.878 1.00 0.00 N ATOM 829 CA GLY A 57 -7.151 -3.862 -4.682 1.00 0.00 C ATOM 830 C GLY A 57 -6.530 -2.797 -3.804 1.00 0.00 C ATOM 831 O GLY A 57 -7.132 -2.352 -2.832 1.00 0.00 O ATOM 0 H GLY A 57 -6.612 -3.512 -6.674 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.159 -3.558 -4.963 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.244 -4.789 -4.117 1.00 0.00 H new ATOM 835 N GLY A 58 -5.330 -2.373 -4.171 1.00 0.00 N ATOM 836 CA GLY A 58 -4.598 -1.432 -3.356 1.00 0.00 C ATOM 837 C GLY A 58 -3.283 -2.024 -2.883 1.00 0.00 C ATOM 838 O GLY A 58 -2.621 -1.484 -2.008 1.00 0.00 O ATOM 0 H GLY A 58 -4.850 -2.666 -5.022 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.407 -0.524 -3.927 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.202 -1.146 -2.495 1.00 0.00 H new ATOM 842 N CYS A 59 -2.898 -3.112 -3.525 1.00 0.00 N ATOM 843 CA CYS A 59 -1.713 -3.880 -3.190 1.00 0.00 C ATOM 844 C CYS A 59 -0.635 -3.610 -4.211 1.00 0.00 C ATOM 845 O CYS A 59 -0.796 -2.808 -5.124 1.00 0.00 O ATOM 846 CB CYS A 59 -2.010 -5.380 -3.227 1.00 0.00 C ATOM 847 SG CYS A 59 -3.583 -5.886 -2.463 1.00 0.00 S ATOM 0 H CYS A 59 -3.415 -3.496 -4.316 1.00 0.00 H new ATOM 0 HA CYS A 59 -1.395 -3.587 -2.189 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.009 -5.707 -4.267 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.197 -5.906 -2.726 1.00 0.00 H new ATOM 852 N ASP A 60 0.467 -4.286 -4.040 1.00 0.00 N ATOM 853 CA ASP A 60 1.540 -4.240 -4.997 1.00 0.00 C ATOM 854 C ASP A 60 1.415 -5.487 -5.825 1.00 0.00 C ATOM 855 O ASP A 60 0.934 -6.492 -5.338 1.00 0.00 O ATOM 856 CB ASP A 60 2.862 -4.246 -4.249 1.00 0.00 C ATOM 857 CG ASP A 60 4.039 -3.869 -5.125 1.00 0.00 C ATOM 858 OD1 ASP A 60 4.119 -2.700 -5.548 1.00 0.00 O ATOM 859 OD2 ASP A 60 4.880 -4.750 -5.399 1.00 0.00 O ATOM 0 H ASP A 60 0.648 -4.884 -3.234 1.00 0.00 H new ATOM 0 HA ASP A 60 1.498 -3.348 -5.622 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.802 -3.551 -3.411 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.031 -5.238 -3.829 1.00 0.00 H new ATOM 864 N PRO A 61 1.728 -5.409 -7.120 1.00 0.00 N ATOM 865 CA PRO A 61 1.555 -6.540 -8.032 1.00 0.00 C ATOM 866 C PRO A 61 2.321 -7.781 -7.573 1.00 0.00 C ATOM 867 O PRO A 61 2.116 -8.879 -8.090 1.00 0.00 O ATOM 868 CB PRO A 61 2.115 -6.025 -9.361 1.00 0.00 C ATOM 869 CG PRO A 61 2.096 -4.539 -9.263 1.00 0.00 C ATOM 870 CD PRO A 61 2.218 -4.204 -7.807 1.00 0.00 C ATOM 0 HA PRO A 61 0.513 -6.855 -8.091 1.00 0.00 H new ATOM 0 HB2 PRO A 61 3.128 -6.393 -9.527 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.510 -6.369 -10.200 1.00 0.00 H new ATOM 0 HG2 PRO A 61 2.918 -4.103 -9.831 1.00 0.00 H new ATOM 0 HG3 PRO A 61 1.172 -4.135 -9.677 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.250 -3.981 -7.534 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.623 -3.328 -7.548 1.00 0.00 H new ATOM 878 N THR A 62 3.211 -7.584 -6.610 1.00 0.00 N ATOM 879 CA THR A 62 3.949 -8.673 -6.000 1.00 0.00 C ATOM 880 C THR A 62 3.205 -9.175 -4.766 1.00 0.00 C ATOM 881 O THR A 62 3.428 -10.283 -4.289 1.00 0.00 O ATOM 882 CB THR A 62 5.360 -8.202 -5.615 1.00 0.00 C ATOM 883 OG1 THR A 62 5.290 -7.240 -4.554 1.00 0.00 O ATOM 884 CG2 THR A 62 6.027 -7.561 -6.819 1.00 0.00 C ATOM 0 H THR A 62 3.439 -6.664 -6.232 1.00 0.00 H new ATOM 0 HA THR A 62 4.037 -9.490 -6.716 1.00 0.00 H new ATOM 0 HB THR A 62 5.938 -9.064 -5.282 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.172 -6.344 -4.932 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.028 -7.227 -6.546 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.096 -8.289 -7.627 1.00 0.00 H new ATOM 0 HG23 THR A 62 5.437 -6.706 -7.150 1.00 0.00 H new ATOM 892 N ALA A 63 2.310 -8.339 -4.265 1.00 0.00 N ATOM 893 CA ALA A 63 1.431 -8.706 -3.175 1.00 0.00 C ATOM 894 C ALA A 63 0.193 -9.405 -3.727 1.00 0.00 C ATOM 895 O ALA A 63 -0.644 -8.775 -4.373 1.00 0.00 O ATOM 896 CB ALA A 63 1.027 -7.469 -2.376 1.00 0.00 C ATOM 0 H ALA A 63 2.175 -7.387 -4.605 1.00 0.00 H new ATOM 0 HA ALA A 63 1.959 -9.388 -2.509 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.366 -7.763 -1.560 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.918 -6.993 -1.967 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.508 -6.768 -3.029 1.00 0.00 H new ATOM 902 N SER A 64 0.096 -10.706 -3.489 1.00 0.00 N ATOM 903 CA SER A 64 -1.076 -11.473 -3.881 1.00 0.00 C ATOM 904 C SER A 64 -2.324 -10.846 -3.282 1.00 0.00 C ATOM 905 O SER A 64 -2.466 -10.771 -2.061 1.00 0.00 O ATOM 906 CB SER A 64 -0.937 -12.930 -3.419 1.00 0.00 C ATOM 907 OG SER A 64 -2.091 -13.696 -3.737 1.00 0.00 O ATOM 0 H SER A 64 0.820 -11.254 -3.024 1.00 0.00 H new ATOM 0 HA SER A 64 -1.161 -11.462 -4.968 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.062 -13.379 -3.889 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.769 -12.956 -2.342 1.00 0.00 H new ATOM 0 HG SER A 64 -2.824 -13.449 -3.135 1.00 0.00 H new ATOM 913 N CYS A 65 -3.203 -10.368 -4.140 1.00 0.00 N ATOM 914 CA CYS A 65 -4.421 -9.727 -3.694 1.00 0.00 C ATOM 915 C CYS A 65 -5.552 -10.718 -3.575 1.00 0.00 C ATOM 916 O CYS A 65 -5.768 -11.562 -4.449 1.00 0.00 O ATOM 917 CB CYS A 65 -4.834 -8.614 -4.644 1.00 0.00 C ATOM 918 SG CYS A 65 -6.587 -8.133 -4.504 1.00 0.00 S ATOM 0 H CYS A 65 -3.095 -10.412 -5.153 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.214 -9.304 -2.711 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -4.212 -7.739 -4.455 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -4.635 -8.932 -5.668 1.00 0.00 H new ATOM 923 N GLN A 66 -6.260 -10.598 -2.483 1.00 0.00 N ATOM 924 CA GLN A 66 -7.447 -11.384 -2.237 1.00 0.00 C ATOM 925 C GLN A 66 -8.595 -10.431 -1.983 1.00 0.00 C ATOM 926 O GLN A 66 -8.552 -9.651 -1.032 1.00 0.00 O ATOM 927 CB GLN A 66 -7.259 -12.289 -1.019 1.00 0.00 C ATOM 928 CG GLN A 66 -5.808 -12.492 -0.651 1.00 0.00 C ATOM 929 CD GLN A 66 -5.140 -13.632 -1.397 1.00 0.00 C ATOM 930 OE1 GLN A 66 -4.571 -13.448 -2.474 1.00 0.00 O ATOM 931 NE2 GLN A 66 -5.191 -14.818 -0.822 1.00 0.00 N ATOM 0 H GLN A 66 -6.030 -9.948 -1.732 1.00 0.00 H new ATOM 0 HA GLN A 66 -7.649 -12.017 -3.101 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -7.787 -11.858 -0.168 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -7.716 -13.258 -1.220 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -5.260 -11.571 -0.849 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.738 -12.681 0.420 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.671 -14.932 0.071 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -4.750 -15.621 -1.270 1.00 0.00 H new ATOM 940 N ASN A 67 -9.598 -10.442 -2.833 1.00 0.00 N ATOM 941 CA ASN A 67 -10.725 -9.560 -2.637 1.00 0.00 C ATOM 942 C ASN A 67 -11.754 -10.178 -1.727 1.00 0.00 C ATOM 943 O ASN A 67 -12.190 -11.317 -1.915 1.00 0.00 O ATOM 944 CB ASN A 67 -11.377 -9.106 -3.944 1.00 0.00 C ATOM 945 CG ASN A 67 -11.425 -10.159 -5.037 1.00 0.00 C ATOM 946 OD1 ASN A 67 -10.539 -11.007 -5.164 1.00 0.00 O ATOM 947 ND2 ASN A 67 -12.461 -10.105 -5.850 1.00 0.00 N ATOM 0 H ASN A 67 -9.656 -11.043 -3.655 1.00 0.00 H new ATOM 0 HA ASN A 67 -10.319 -8.667 -2.161 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -12.395 -8.779 -3.730 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -10.836 -8.238 -4.320 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -12.547 -10.778 -6.612 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.177 -9.391 -5.717 1.00 0.00 H new ATOM 954 N ALA A 68 -12.118 -9.400 -0.737 1.00 0.00 N ATOM 955 CA ALA A 68 -13.071 -9.801 0.268 1.00 0.00 C ATOM 956 C ALA A 68 -14.026 -8.656 0.530 1.00 0.00 C ATOM 957 O ALA A 68 -13.749 -7.514 0.168 1.00 0.00 O ATOM 958 CB ALA A 68 -12.348 -10.178 1.547 1.00 0.00 C ATOM 0 H ALA A 68 -11.755 -8.456 -0.605 1.00 0.00 H new ATOM 0 HA ALA A 68 -13.630 -10.668 -0.084 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -13.075 -10.480 2.301 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -11.666 -11.005 1.349 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.782 -9.321 1.911 1.00 0.00 H new ATOM 964 N GLU A 69 -15.147 -8.955 1.146 1.00 0.00 N ATOM 965 CA GLU A 69 -16.062 -7.921 1.560 1.00 0.00 C ATOM 966 C GLU A 69 -16.274 -7.988 3.052 1.00 0.00 C ATOM 967 O GLU A 69 -17.264 -8.508 3.566 1.00 0.00 O ATOM 968 CB GLU A 69 -17.357 -7.979 0.795 1.00 0.00 C ATOM 969 CG GLU A 69 -17.916 -9.363 0.711 1.00 0.00 C ATOM 970 CD GLU A 69 -19.297 -9.403 0.094 1.00 0.00 C ATOM 971 OE1 GLU A 69 -19.402 -9.365 -1.149 1.00 0.00 O ATOM 972 OE2 GLU A 69 -20.290 -9.466 0.846 1.00 0.00 O ATOM 0 H GLU A 69 -15.445 -9.904 1.370 1.00 0.00 H new ATOM 0 HA GLU A 69 -15.619 -6.953 1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -18.086 -7.325 1.273 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -17.197 -7.595 -0.212 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -17.243 -9.987 0.123 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -17.958 -9.794 1.711 1.00 0.00 H new ATOM 979 N SER A 70 -15.303 -7.437 3.723 1.00 0.00 N ATOM 980 CA SER A 70 -15.215 -7.478 5.162 1.00 0.00 C ATOM 981 C SER A 70 -15.861 -6.237 5.750 1.00 0.00 C ATOM 982 O SER A 70 -16.075 -5.265 5.033 1.00 0.00 O ATOM 983 CB SER A 70 -13.746 -7.541 5.568 1.00 0.00 C ATOM 984 OG SER A 70 -13.101 -8.666 4.993 1.00 0.00 O ATOM 0 H SER A 70 -14.533 -6.936 3.280 1.00 0.00 H new ATOM 0 HA SER A 70 -15.736 -8.358 5.538 1.00 0.00 H new ATOM 0 HB2 SER A 70 -13.240 -6.628 5.253 1.00 0.00 H new ATOM 0 HB3 SER A 70 -13.668 -7.590 6.654 1.00 0.00 H new ATOM 0 HG SER A 70 -12.174 -8.435 4.773 1.00 0.00 H new ATOM 990 N THR A 71 -16.161 -6.241 7.040 1.00 0.00 N ATOM 991 CA THR A 71 -16.701 -5.046 7.653 1.00 0.00 C ATOM 992 C THR A 71 -15.577 -4.030 7.789 1.00 0.00 C ATOM 993 O THR A 71 -15.778 -2.822 7.667 1.00 0.00 O ATOM 994 CB THR A 71 -17.374 -5.327 9.015 1.00 0.00 C ATOM 995 OG1 THR A 71 -18.002 -4.140 9.507 1.00 0.00 O ATOM 996 CG2 THR A 71 -16.373 -5.839 10.035 1.00 0.00 C ATOM 0 H THR A 71 -16.043 -7.038 7.666 1.00 0.00 H new ATOM 0 HA THR A 71 -17.490 -4.650 7.014 1.00 0.00 H new ATOM 0 HB THR A 71 -18.126 -6.101 8.861 1.00 0.00 H new ATOM 0 HG1 THR A 71 -18.427 -4.328 10.370 1.00 0.00 H new ATOM 0 HG21 THR A 71 -16.881 -6.026 10.981 1.00 0.00 H new ATOM 0 HG22 THR A 71 -15.927 -6.765 9.673 1.00 0.00 H new ATOM 0 HG23 THR A 71 -15.592 -5.094 10.184 1.00 0.00 H new ATOM 1004 N GLU A 72 -14.382 -4.556 8.007 1.00 0.00 N ATOM 1005 CA GLU A 72 -13.170 -3.777 7.928 1.00 0.00 C ATOM 1006 C GLU A 72 -12.900 -3.390 6.488 1.00 0.00 C ATOM 1007 O GLU A 72 -12.602 -4.247 5.660 1.00 0.00 O ATOM 1008 CB GLU A 72 -12.006 -4.595 8.456 1.00 0.00 C ATOM 1009 CG GLU A 72 -11.867 -4.564 9.957 1.00 0.00 C ATOM 1010 CD GLU A 72 -11.409 -3.213 10.460 1.00 0.00 C ATOM 1011 OE1 GLU A 72 -12.247 -2.292 10.563 1.00 0.00 O ATOM 1012 OE2 GLU A 72 -10.200 -3.061 10.735 1.00 0.00 O ATOM 0 H GLU A 72 -14.232 -5.537 8.244 1.00 0.00 H new ATOM 0 HA GLU A 72 -13.285 -2.874 8.528 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -12.126 -5.629 8.134 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.083 -4.226 8.008 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.824 -4.815 10.414 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.155 -5.327 10.270 1.00 0.00 H new ATOM 1019 N ASN A 73 -13.012 -2.108 6.188 1.00 0.00 N ATOM 1020 CA ASN A 73 -12.738 -1.614 4.842 1.00 0.00 C ATOM 1021 C ASN A 73 -11.262 -1.780 4.533 1.00 0.00 C ATOM 1022 O ASN A 73 -10.878 -2.028 3.392 1.00 0.00 O ATOM 1023 CB ASN A 73 -13.129 -0.143 4.714 1.00 0.00 C ATOM 1024 CG ASN A 73 -14.506 0.148 5.278 1.00 0.00 C ATOM 1025 OD1 ASN A 73 -15.517 -0.082 4.618 1.00 0.00 O ATOM 1026 ND2 ASN A 73 -14.559 0.677 6.490 1.00 0.00 N ATOM 0 H ASN A 73 -13.290 -1.388 6.854 1.00 0.00 H new ATOM 0 HA ASN A 73 -13.330 -2.191 4.132 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -12.392 0.471 5.231 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -13.103 0.145 3.663 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -15.461 0.908 6.907 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -13.698 0.854 7.008 1.00 0.00 H new ATOM 1033 N SER A 74 -10.447 -1.674 5.575 1.00 0.00 N ATOM 1034 CA SER A 74 -9.008 -1.843 5.451 1.00 0.00 C ATOM 1035 C SER A 74 -8.658 -3.325 5.335 1.00 0.00 C ATOM 1036 O SER A 74 -7.541 -3.689 4.972 1.00 0.00 O ATOM 1037 CB SER A 74 -8.311 -1.230 6.669 1.00 0.00 C ATOM 1038 OG SER A 74 -8.890 0.022 7.006 1.00 0.00 O ATOM 0 H SER A 74 -10.764 -1.470 6.523 1.00 0.00 H new ATOM 0 HA SER A 74 -8.666 -1.335 4.550 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.387 -1.910 7.517 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.249 -1.100 6.458 1.00 0.00 H new ATOM 0 HG SER A 74 -8.273 0.744 6.763 1.00 0.00 H new ATOM 1044 N LYS A 75 -9.632 -4.178 5.636 1.00 0.00 N ATOM 1045 CA LYS A 75 -9.421 -5.613 5.616 1.00 0.00 C ATOM 1046 C LYS A 75 -10.287 -6.270 4.548 1.00 0.00 C ATOM 1047 O LYS A 75 -10.511 -7.483 4.561 1.00 0.00 O ATOM 1048 CB LYS A 75 -9.739 -6.189 6.995 1.00 0.00 C ATOM 1049 CG LYS A 75 -9.248 -7.600 7.227 1.00 0.00 C ATOM 1050 CD LYS A 75 -7.748 -7.693 7.021 1.00 0.00 C ATOM 1051 CE LYS A 75 -7.034 -6.516 7.663 1.00 0.00 C ATOM 1052 NZ LYS A 75 -5.565 -6.557 7.440 1.00 0.00 N ATOM 0 H LYS A 75 -10.576 -3.895 5.897 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.379 -5.818 5.372 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.302 -5.539 7.753 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.819 -6.168 7.141 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.500 -7.915 8.240 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.756 -8.282 6.545 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.376 -8.625 7.448 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.525 -7.720 5.954 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.435 -5.586 7.259 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.237 -6.511 8.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.122 -5.734 7.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.176 -7.431 7.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.368 -6.535 6.419 1.00 0.00 H new ATOM 1066 N LYS A 76 -10.793 -5.467 3.625 1.00 0.00 N ATOM 1067 CA LYS A 76 -11.544 -6.017 2.515 1.00 0.00 C ATOM 1068 C LYS A 76 -10.582 -6.546 1.468 1.00 0.00 C ATOM 1069 O LYS A 76 -10.824 -7.565 0.838 1.00 0.00 O ATOM 1070 CB LYS A 76 -12.449 -4.986 1.862 1.00 0.00 C ATOM 1071 CG LYS A 76 -13.504 -4.379 2.768 1.00 0.00 C ATOM 1072 CD LYS A 76 -14.445 -3.519 1.947 1.00 0.00 C ATOM 1073 CE LYS A 76 -15.212 -2.478 2.753 1.00 0.00 C ATOM 1074 NZ LYS A 76 -16.207 -3.081 3.672 1.00 0.00 N ATOM 0 H LYS A 76 -10.699 -4.451 3.623 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.171 -6.815 2.913 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.829 -4.182 1.466 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.948 -5.452 1.012 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -14.062 -5.168 3.272 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -13.030 -3.778 3.544 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.870 -3.010 1.173 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -15.160 -4.167 1.439 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.507 -1.880 3.330 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -15.721 -1.799 2.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.451 -2.397 4.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -17.064 -3.333 3.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.805 -3.937 4.106 1.00 0.00 H new ATOM 1088 N ILE A 77 -9.491 -5.828 1.278 1.00 0.00 N ATOM 1089 CA ILE A 77 -8.469 -6.251 0.347 1.00 0.00 C ATOM 1090 C ILE A 77 -7.304 -6.842 1.105 1.00 0.00 C ATOM 1091 O ILE A 77 -6.663 -6.173 1.920 1.00 0.00 O ATOM 1092 CB ILE A 77 -7.979 -5.093 -0.542 1.00 0.00 C ATOM 1093 CG1 ILE A 77 -9.154 -4.480 -1.298 1.00 0.00 C ATOM 1094 CG2 ILE A 77 -6.919 -5.570 -1.525 1.00 0.00 C ATOM 1095 CD1 ILE A 77 -9.875 -5.468 -2.182 1.00 0.00 C ATOM 0 H ILE A 77 -9.292 -4.950 1.757 1.00 0.00 H new ATOM 0 HA ILE A 77 -8.910 -7.003 -0.308 1.00 0.00 H new ATOM 0 HB ILE A 77 -7.532 -4.336 0.102 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -9.860 -4.062 -0.581 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -8.792 -3.653 -1.909 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -6.590 -4.733 -2.140 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -6.068 -5.972 -0.976 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -7.339 -6.347 -2.164 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.699 -4.967 -2.690 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -9.182 -5.868 -2.922 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.266 -6.283 -1.573 1.00 0.00 H new ATOM 1107 N ILE A 78 -7.063 -8.105 0.853 1.00 0.00 N ATOM 1108 CA ILE A 78 -5.990 -8.817 1.505 1.00 0.00 C ATOM 1109 C ILE A 78 -4.757 -8.823 0.619 1.00 0.00 C ATOM 1110 O ILE A 78 -4.698 -9.538 -0.376 1.00 0.00 O ATOM 1111 CB ILE A 78 -6.378 -10.275 1.845 1.00 0.00 C ATOM 1112 CG1 ILE A 78 -7.630 -10.336 2.729 1.00 0.00 C ATOM 1113 CG2 ILE A 78 -5.220 -10.980 2.528 1.00 0.00 C ATOM 1114 CD1 ILE A 78 -8.924 -10.088 1.980 1.00 0.00 C ATOM 0 H ILE A 78 -7.602 -8.667 0.194 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.781 -8.297 2.440 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.607 -10.784 0.909 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.679 -11.315 3.205 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -7.536 -9.599 3.526 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.506 -12.006 2.762 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -4.356 -10.987 1.864 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -4.966 -10.455 3.449 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.763 -10.148 2.673 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -8.898 -9.097 1.527 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.043 -10.841 1.201 1.00 0.00 H new ATOM 1126 N CYS A 79 -3.788 -8.007 0.975 1.00 0.00 N ATOM 1127 CA CYS A 79 -2.548 -7.932 0.228 1.00 0.00 C ATOM 1128 C CYS A 79 -1.486 -8.792 0.898 1.00 0.00 C ATOM 1129 O CYS A 79 -1.094 -8.549 2.038 1.00 0.00 O ATOM 1130 CB CYS A 79 -2.102 -6.478 0.123 1.00 0.00 C ATOM 1131 SG CYS A 79 -3.400 -5.378 -0.512 1.00 0.00 S ATOM 0 H CYS A 79 -3.834 -7.383 1.781 1.00 0.00 H new ATOM 0 HA CYS A 79 -2.701 -8.315 -0.781 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.787 -6.129 1.107 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -1.231 -6.418 -0.530 1.00 0.00 H new ATOM 1136 N THR A 80 -1.047 -9.810 0.188 1.00 0.00 N ATOM 1137 CA THR A 80 -0.102 -10.776 0.718 1.00 0.00 C ATOM 1138 C THR A 80 1.223 -10.714 -0.031 1.00 0.00 C ATOM 1139 O THR A 80 1.301 -11.078 -1.201 1.00 0.00 O ATOM 1140 CB THR A 80 -0.682 -12.202 0.618 1.00 0.00 C ATOM 1141 OG1 THR A 80 -1.837 -12.317 1.458 1.00 0.00 O ATOM 1142 CG2 THR A 80 0.350 -13.249 1.008 1.00 0.00 C ATOM 0 H THR A 80 -1.334 -9.993 -0.773 1.00 0.00 H new ATOM 0 HA THR A 80 0.076 -10.528 1.764 1.00 0.00 H new ATOM 0 HB THR A 80 -0.966 -12.380 -0.419 1.00 0.00 H new ATOM 0 HG1 THR A 80 -2.202 -13.224 1.389 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.091 -14.242 0.927 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.210 -13.178 0.342 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.672 -13.078 2.035 1.00 0.00 H new ATOM 1150 N CYS A 81 2.269 -10.281 0.643 1.00 0.00 N ATOM 1151 CA CYS A 81 3.572 -10.194 0.012 1.00 0.00 C ATOM 1152 C CYS A 81 4.231 -11.579 0.035 1.00 0.00 C ATOM 1153 O CYS A 81 3.994 -12.377 0.945 1.00 0.00 O ATOM 1154 CB CYS A 81 4.438 -9.147 0.722 1.00 0.00 C ATOM 1155 SG CYS A 81 3.589 -7.569 1.075 1.00 0.00 S ATOM 0 H CYS A 81 2.245 -9.986 1.619 1.00 0.00 H new ATOM 0 HA CYS A 81 3.463 -9.876 -1.025 1.00 0.00 H new ATOM 0 HB2 CYS A 81 4.798 -9.569 1.661 1.00 0.00 H new ATOM 0 HB3 CYS A 81 5.315 -8.943 0.107 1.00 0.00 H new ATOM 1160 N LYS A 82 5.041 -11.854 -0.981 1.00 0.00 N ATOM 1161 CA LYS A 82 5.539 -13.204 -1.248 1.00 0.00 C ATOM 1162 C LYS A 82 6.719 -13.607 -0.359 1.00 0.00 C ATOM 1163 O LYS A 82 7.123 -12.874 0.544 1.00 0.00 O ATOM 1164 CB LYS A 82 5.955 -13.319 -2.713 1.00 0.00 C ATOM 1165 CG LYS A 82 4.882 -12.905 -3.687 1.00 0.00 C ATOM 1166 CD LYS A 82 3.606 -13.700 -3.513 1.00 0.00 C ATOM 1167 CE LYS A 82 2.541 -13.192 -4.453 1.00 0.00 C ATOM 1168 NZ LYS A 82 2.894 -13.416 -5.880 1.00 0.00 N ATOM 0 H LYS A 82 5.372 -11.152 -1.643 1.00 0.00 H new ATOM 0 HA LYS A 82 4.719 -13.885 -1.019 1.00 0.00 H new ATOM 0 HB2 LYS A 82 6.839 -12.704 -2.879 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.241 -14.350 -2.919 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.667 -11.844 -3.557 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.250 -13.033 -4.705 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.798 -14.755 -3.706 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.259 -13.622 -2.483 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.597 -13.690 -4.232 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.387 -12.127 -4.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.059 -13.242 -6.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 3.657 -12.765 -6.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.212 -14.398 -6.009 1.00 0.00 H new ATOM 1182 N GLU A 83 7.251 -14.793 -0.632 1.00 0.00 N ATOM 1183 CA GLU A 83 8.406 -15.342 0.083 1.00 0.00 C ATOM 1184 C GLU A 83 9.593 -14.366 0.202 1.00 0.00 C ATOM 1185 O GLU A 83 10.107 -14.168 1.305 1.00 0.00 O ATOM 1186 CB GLU A 83 8.867 -16.622 -0.609 1.00 0.00 C ATOM 1187 CG GLU A 83 7.782 -17.668 -0.709 1.00 0.00 C ATOM 1188 CD GLU A 83 8.208 -18.875 -1.514 1.00 0.00 C ATOM 1189 OE1 GLU A 83 8.966 -19.714 -0.985 1.00 0.00 O ATOM 1190 OE2 GLU A 83 7.783 -18.991 -2.681 1.00 0.00 O ATOM 0 H GLU A 83 6.892 -15.409 -1.362 1.00 0.00 H new ATOM 0 HA GLU A 83 8.072 -15.541 1.101 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.221 -16.378 -1.611 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.714 -17.038 -0.063 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.497 -17.987 0.294 1.00 0.00 H new ATOM 0 HG3 GLU A 83 6.897 -17.225 -1.166 1.00 0.00 H new ATOM 1197 N PRO A 84 10.051 -13.718 -0.902 1.00 0.00 N ATOM 1198 CA PRO A 84 11.252 -12.886 -0.866 1.00 0.00 C ATOM 1199 C PRO A 84 10.950 -11.501 -0.332 1.00 0.00 C ATOM 1200 O PRO A 84 11.748 -10.572 -0.446 1.00 0.00 O ATOM 1201 CB PRO A 84 11.666 -12.808 -2.325 1.00 0.00 C ATOM 1202 CG PRO A 84 10.390 -12.892 -3.087 1.00 0.00 C ATOM 1203 CD PRO A 84 9.428 -13.690 -2.238 1.00 0.00 C ATOM 0 HA PRO A 84 12.024 -13.295 -0.214 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.193 -11.878 -2.537 1.00 0.00 H new ATOM 0 HB3 PRO A 84 12.339 -13.624 -2.589 1.00 0.00 H new ATOM 0 HG2 PRO A 84 9.994 -11.897 -3.289 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.547 -13.375 -4.052 1.00 0.00 H new ATOM 0 HD2 PRO A 84 8.444 -13.223 -2.207 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.291 -14.697 -2.633 1.00 0.00 H new ATOM 1211 N THR A 85 9.769 -11.373 0.224 1.00 0.00 N ATOM 1212 CA THR A 85 9.322 -10.145 0.811 1.00 0.00 C ATOM 1213 C THR A 85 8.894 -10.430 2.257 1.00 0.00 C ATOM 1214 O THR A 85 7.719 -10.650 2.546 1.00 0.00 O ATOM 1215 CB THR A 85 8.155 -9.547 -0.021 1.00 0.00 C ATOM 1216 OG1 THR A 85 6.965 -10.292 0.173 1.00 0.00 O ATOM 1217 CG2 THR A 85 8.473 -9.577 -1.506 1.00 0.00 C ATOM 0 H THR A 85 9.088 -12.131 0.279 1.00 0.00 H new ATOM 0 HA THR A 85 10.126 -9.409 0.815 1.00 0.00 H new ATOM 0 HB THR A 85 8.021 -8.519 0.316 1.00 0.00 H new ATOM 0 HG1 THR A 85 7.178 -11.139 0.618 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.639 -9.153 -2.065 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.373 -8.993 -1.697 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.635 -10.607 -1.823 1.00 0.00 H new ATOM 1225 N PRO A 86 9.862 -10.484 3.185 1.00 0.00 N ATOM 1226 CA PRO A 86 9.595 -10.792 4.594 1.00 0.00 C ATOM 1227 C PRO A 86 8.825 -9.670 5.265 1.00 0.00 C ATOM 1228 O PRO A 86 8.372 -9.784 6.405 1.00 0.00 O ATOM 1229 CB PRO A 86 10.997 -10.903 5.213 1.00 0.00 C ATOM 1230 CG PRO A 86 11.936 -11.011 4.066 1.00 0.00 C ATOM 1231 CD PRO A 86 11.294 -10.252 2.951 1.00 0.00 C ATOM 0 HA PRO A 86 8.992 -11.693 4.713 1.00 0.00 H new ATOM 0 HB2 PRO A 86 11.225 -10.030 5.825 1.00 0.00 H new ATOM 0 HB3 PRO A 86 11.070 -11.775 5.862 1.00 0.00 H new ATOM 0 HG2 PRO A 86 12.911 -10.592 4.316 1.00 0.00 H new ATOM 0 HG3 PRO A 86 12.099 -12.053 3.789 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.544 -9.192 2.987 1.00 0.00 H new ATOM 0 HD3 PRO A 86 11.610 -10.621 1.975 1.00 0.00 H new ATOM 1239 N ASN A 87 8.681 -8.582 4.530 1.00 0.00 N ATOM 1240 CA ASN A 87 8.150 -7.350 5.057 1.00 0.00 C ATOM 1241 C ASN A 87 7.231 -6.718 4.029 1.00 0.00 C ATOM 1242 O ASN A 87 6.975 -7.309 2.980 1.00 0.00 O ATOM 1243 CB ASN A 87 9.308 -6.412 5.374 1.00 0.00 C ATOM 1244 CG ASN A 87 10.425 -7.096 6.138 1.00 0.00 C ATOM 1245 OD1 ASN A 87 11.509 -7.398 5.436 1.00 0.00 O flip ATOM 1246 ND2 ASN A 87 10.328 -7.322 7.345 1.00 0.00 N flip ATOM 0 H ASN A 87 8.933 -8.534 3.543 1.00 0.00 H new ATOM 0 HA ASN A 87 7.581 -7.543 5.966 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.706 -6.006 4.444 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.938 -5.569 5.958 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.474 -7.072 7.844 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.102 -7.759 7.846 1.00 0.00 H new ATOM 1253 N ALA A 88 6.760 -5.515 4.306 1.00 0.00 N ATOM 1254 CA ALA A 88 5.899 -4.816 3.372 1.00 0.00 C ATOM 1255 C ALA A 88 6.054 -3.309 3.496 1.00 0.00 C ATOM 1256 O ALA A 88 6.345 -2.791 4.576 1.00 0.00 O ATOM 1257 CB ALA A 88 4.452 -5.219 3.600 1.00 0.00 C ATOM 0 H ALA A 88 6.959 -5.005 5.166 1.00 0.00 H new ATOM 0 HA ALA A 88 6.195 -5.098 2.361 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.811 -4.690 2.895 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.346 -6.294 3.451 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.159 -4.963 4.618 1.00 0.00 H new ATOM 1263 N TYR A 89 5.882 -2.615 2.378 1.00 0.00 N ATOM 1264 CA TYR A 89 5.797 -1.167 2.387 1.00 0.00 C ATOM 1265 C TYR A 89 4.422 -0.819 2.960 1.00 0.00 C ATOM 1266 O TYR A 89 3.398 -0.985 2.285 1.00 0.00 O ATOM 1267 CB TYR A 89 5.949 -0.575 0.964 1.00 0.00 C ATOM 1268 CG TYR A 89 7.100 -1.110 0.126 1.00 0.00 C ATOM 1269 CD1 TYR A 89 8.179 -1.788 0.672 1.00 0.00 C ATOM 1270 CD2 TYR A 89 7.093 -0.903 -1.244 1.00 0.00 C ATOM 1271 CE1 TYR A 89 9.210 -2.234 -0.131 1.00 0.00 C ATOM 1272 CE2 TYR A 89 8.107 -1.349 -2.051 1.00 0.00 C ATOM 1273 CZ TYR A 89 9.163 -2.011 -1.497 1.00 0.00 C ATOM 1274 OH TYR A 89 10.191 -2.430 -2.306 1.00 0.00 O ATOM 0 H TYR A 89 5.799 -3.036 1.453 1.00 0.00 H new ATOM 0 HA TYR A 89 6.604 -0.745 2.986 1.00 0.00 H new ATOM 0 HB2 TYR A 89 5.021 -0.751 0.420 1.00 0.00 H new ATOM 0 HB3 TYR A 89 6.066 0.505 1.054 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.214 -1.969 1.736 1.00 0.00 H new ATOM 0 HD2 TYR A 89 6.263 -0.374 -1.689 1.00 0.00 H new ATOM 0 HE1 TYR A 89 10.050 -2.755 0.305 1.00 0.00 H new ATOM 0 HE2 TYR A 89 8.070 -1.178 -3.117 1.00 0.00 H new ATOM 0 HH TYR A 89 9.993 -2.192 -3.236 1.00 0.00 H new ATOM 1284 N TYR A 90 4.412 -0.386 4.214 1.00 0.00 N ATOM 1285 CA TYR A 90 3.183 -0.181 4.981 1.00 0.00 C ATOM 1286 C TYR A 90 2.511 -1.518 5.304 1.00 0.00 C ATOM 1287 O TYR A 90 3.120 -2.380 5.939 1.00 0.00 O ATOM 1288 CB TYR A 90 2.215 0.791 4.281 1.00 0.00 C ATOM 1289 CG TYR A 90 1.671 1.842 5.222 1.00 0.00 C ATOM 1290 CD1 TYR A 90 0.749 1.515 6.206 1.00 0.00 C ATOM 1291 CD2 TYR A 90 2.093 3.154 5.133 1.00 0.00 C ATOM 1292 CE1 TYR A 90 0.261 2.474 7.073 1.00 0.00 C ATOM 1293 CE2 TYR A 90 1.617 4.118 5.995 1.00 0.00 C ATOM 1294 CZ TYR A 90 0.699 3.774 6.962 1.00 0.00 C ATOM 1295 OH TYR A 90 0.214 4.734 7.823 1.00 0.00 O ATOM 0 H TYR A 90 5.261 -0.165 4.734 1.00 0.00 H new ATOM 0 HA TYR A 90 3.463 0.289 5.924 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.730 1.280 3.454 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.386 0.228 3.852 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.407 0.494 6.296 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.810 3.430 4.373 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.459 2.205 7.832 1.00 0.00 H new ATOM 0 HE2 TYR A 90 1.962 5.138 5.913 1.00 0.00 H new ATOM 0 HH TYR A 90 0.624 5.599 7.613 1.00 0.00 H new ATOM 1305 N GLU A 91 1.273 -1.704 4.868 1.00 0.00 N ATOM 1306 CA GLU A 91 0.502 -2.893 5.260 1.00 0.00 C ATOM 1307 C GLU A 91 0.583 -4.009 4.221 1.00 0.00 C ATOM 1308 O GLU A 91 0.101 -5.115 4.451 1.00 0.00 O ATOM 1309 CB GLU A 91 -0.972 -2.536 5.473 1.00 0.00 C ATOM 1310 CG GLU A 91 -1.204 -1.134 6.002 1.00 0.00 C ATOM 1311 CD GLU A 91 -2.615 -0.942 6.510 1.00 0.00 C ATOM 1312 OE1 GLU A 91 -3.551 -0.940 5.688 1.00 0.00 O ATOM 1313 OE2 GLU A 91 -2.791 -0.790 7.740 1.00 0.00 O ATOM 0 H GLU A 91 0.779 -1.060 4.250 1.00 0.00 H new ATOM 0 HA GLU A 91 0.945 -3.251 6.190 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.501 -2.647 4.526 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.410 -3.251 6.169 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.499 -0.930 6.808 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.003 -0.411 5.211 1.00 0.00 H new ATOM 1320 N GLY A 92 1.196 -3.725 3.086 1.00 0.00 N ATOM 1321 CA GLY A 92 1.137 -4.650 1.970 1.00 0.00 C ATOM 1322 C GLY A 92 0.682 -3.940 0.722 1.00 0.00 C ATOM 1323 O GLY A 92 0.533 -4.547 -0.337 1.00 0.00 O ATOM 0 H GLY A 92 1.732 -2.875 2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.119 -5.094 1.806 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.452 -5.466 2.202 1.00 0.00 H new ATOM 1327 N VAL A 93 0.441 -2.638 0.876 1.00 0.00 N ATOM 1328 CA VAL A 93 0.117 -1.763 -0.235 1.00 0.00 C ATOM 1329 C VAL A 93 1.211 -1.854 -1.287 1.00 0.00 C ATOM 1330 O VAL A 93 0.972 -1.711 -2.486 1.00 0.00 O ATOM 1331 CB VAL A 93 -0.013 -0.297 0.247 1.00 0.00 C ATOM 1332 CG1 VAL A 93 -0.588 0.577 -0.842 1.00 0.00 C ATOM 1333 CG2 VAL A 93 -0.850 -0.205 1.516 1.00 0.00 C ATOM 0 H VAL A 93 0.467 -2.166 1.780 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.835 -2.078 -0.662 1.00 0.00 H new ATOM 0 HB VAL A 93 0.987 0.066 0.482 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.670 1.602 -0.481 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.067 0.551 -1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.576 0.210 -1.119 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.923 0.837 1.829 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.849 -0.596 1.322 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.378 -0.789 2.306 1.00 0.00 H new ATOM 1343 N PHE A 94 2.424 -2.060 -0.804 1.00 0.00 N ATOM 1344 CA PHE A 94 3.561 -2.349 -1.642 1.00 0.00 C ATOM 1345 C PHE A 94 4.527 -3.256 -0.866 1.00 0.00 C ATOM 1346 O PHE A 94 4.455 -3.308 0.354 1.00 0.00 O ATOM 1347 CB PHE A 94 4.275 -1.074 -2.176 1.00 0.00 C ATOM 1348 CG PHE A 94 4.006 0.305 -1.543 1.00 0.00 C ATOM 1349 CD1 PHE A 94 3.081 0.536 -0.530 1.00 0.00 C ATOM 1350 CD2 PHE A 94 4.725 1.398 -2.013 1.00 0.00 C ATOM 1351 CE1 PHE A 94 2.878 1.802 -0.013 1.00 0.00 C ATOM 1352 CE2 PHE A 94 4.524 2.666 -1.498 1.00 0.00 C ATOM 1353 CZ PHE A 94 3.601 2.866 -0.496 1.00 0.00 C ATOM 0 H PHE A 94 2.643 -2.030 0.192 1.00 0.00 H new ATOM 0 HA PHE A 94 3.202 -2.864 -2.533 1.00 0.00 H new ATOM 0 HB2 PHE A 94 5.348 -1.255 -2.106 1.00 0.00 H new ATOM 0 HB3 PHE A 94 4.034 -0.992 -3.236 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.509 -0.292 -0.139 1.00 0.00 H new ATOM 0 HD2 PHE A 94 5.455 1.254 -2.796 1.00 0.00 H new ATOM 0 HE1 PHE A 94 2.151 1.955 0.771 1.00 0.00 H new ATOM 0 HE2 PHE A 94 5.092 3.500 -1.882 1.00 0.00 H new ATOM 0 HZ PHE A 94 3.446 3.855 -0.091 1.00 0.00 H new ATOM 1363 N CYS A 95 5.390 -4.008 -1.559 1.00 0.00 N ATOM 1364 CA CYS A 95 6.359 -4.893 -0.880 1.00 0.00 C ATOM 1365 C CYS A 95 7.670 -4.982 -1.683 1.00 0.00 C ATOM 1366 O CYS A 95 7.695 -4.649 -2.866 1.00 0.00 O ATOM 1367 CB CYS A 95 5.782 -6.310 -0.680 1.00 0.00 C ATOM 1368 SG CYS A 95 3.960 -6.393 -0.548 1.00 0.00 S ATOM 0 H CYS A 95 5.442 -4.026 -2.578 1.00 0.00 H new ATOM 0 HA CYS A 95 6.564 -4.459 0.099 1.00 0.00 H new ATOM 0 HB2 CYS A 95 6.099 -6.936 -1.514 1.00 0.00 H new ATOM 0 HB3 CYS A 95 6.216 -6.738 0.223 1.00 0.00 H new ATOM 1373 N SER A 96 8.760 -5.424 -1.035 1.00 0.00 N ATOM 1374 CA SER A 96 10.075 -5.505 -1.694 1.00 0.00 C ATOM 1375 C SER A 96 10.538 -6.948 -1.780 1.00 0.00 C ATOM 1376 O SER A 96 10.574 -7.646 -0.767 1.00 0.00 O ATOM 1377 CB SER A 96 11.125 -4.704 -0.927 1.00 0.00 C ATOM 1378 OG SER A 96 12.194 -4.306 -1.776 1.00 0.00 O ATOM 0 H SER A 96 8.758 -5.729 -0.062 1.00 0.00 H new ATOM 0 HA SER A 96 9.963 -5.089 -2.695 1.00 0.00 H new ATOM 0 HB2 SER A 96 10.661 -3.822 -0.485 1.00 0.00 H new ATOM 0 HB3 SER A 96 11.515 -5.305 -0.105 1.00 0.00 H new ATOM 0 HG SER A 96 11.934 -3.504 -2.276 1.00 0.00 H new ATOM 1384 N SER A 97 10.927 -7.378 -2.969 1.00 0.00 N ATOM 1385 CA SER A 97 11.254 -8.779 -3.202 1.00 0.00 C ATOM 1386 C SER A 97 12.757 -9.054 -3.167 1.00 0.00 C ATOM 1387 O SER A 97 13.183 -10.208 -3.147 1.00 0.00 O ATOM 1388 CB SER A 97 10.687 -9.220 -4.550 1.00 0.00 C ATOM 1389 OG SER A 97 9.283 -9.027 -4.610 1.00 0.00 O ATOM 0 H SER A 97 11.025 -6.779 -3.789 1.00 0.00 H new ATOM 0 HA SER A 97 10.804 -9.351 -2.390 1.00 0.00 H new ATOM 0 HB2 SER A 97 11.168 -8.657 -5.350 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.918 -10.272 -4.717 1.00 0.00 H new ATOM 0 HG SER A 97 8.950 -9.317 -5.485 1.00 0.00 H new ATOM 1395 N SER A 98 13.563 -8.012 -3.155 1.00 0.00 N ATOM 1396 CA SER A 98 15.009 -8.187 -3.229 1.00 0.00 C ATOM 1397 C SER A 98 15.656 -8.221 -1.841 1.00 0.00 C ATOM 1398 O SER A 98 16.624 -7.508 -1.583 1.00 0.00 O ATOM 1399 CB SER A 98 15.618 -7.066 -4.073 1.00 0.00 C ATOM 1400 OG SER A 98 14.962 -6.967 -5.327 1.00 0.00 O ATOM 0 H SER A 98 13.251 -7.043 -3.096 1.00 0.00 H new ATOM 0 HA SER A 98 15.207 -9.150 -3.699 1.00 0.00 H new ATOM 0 HB2 SER A 98 15.538 -6.119 -3.540 1.00 0.00 H new ATOM 0 HB3 SER A 98 16.680 -7.256 -4.227 1.00 0.00 H new ATOM 0 HG SER A 98 15.365 -6.243 -5.851 1.00 0.00 H new ATOM 1406 N SER A 99 15.133 -9.054 -0.952 1.00 0.00 N ATOM 1407 CA SER A 99 15.694 -9.173 0.387 1.00 0.00 C ATOM 1408 C SER A 99 16.633 -10.376 0.453 1.00 0.00 C ATOM 1409 O SER A 99 17.861 -10.168 0.556 1.00 0.00 O ATOM 1410 CB SER A 99 14.572 -9.267 1.434 1.00 0.00 C ATOM 1411 OG SER A 99 13.741 -10.388 1.214 1.00 0.00 O ATOM 1412 OXT SER A 99 16.153 -11.521 0.345 1.00 0.00 O ATOM 0 H SER A 99 14.327 -9.653 -1.131 1.00 0.00 H new ATOM 0 HA SER A 99 16.276 -8.280 0.614 1.00 0.00 H new ATOM 0 HB2 SER A 99 15.009 -9.329 2.431 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.971 -8.358 1.405 1.00 0.00 H new ATOM 0 HG SER A 99 13.124 -10.198 0.477 1.00 0.00 H new