USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 890 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 22 SER OG : rot -173:sc= 1.16 USER MOD Set 1.2: A 101 GLN : amide:sc= 0.295 K(o=1.5,f=-4!) USER MOD Set 2.1: A 75 SER OG : rot -113:sc= 1.22 USER MOD Set 2.2: A 77 SER OG : rot 180:sc= 0.121 USER MOD Set 3.1: A 73 TYR OH : rot 46:sc= 1.21 USER MOD Set 3.2: A 115 SER OG : rot -108:sc= 2.18 USER MOD Set 4.1: A 70 THR OG1 : rot -99:sc= 0.523 USER MOD Set 4.2: A 71 ASN : amide:sc= 1.34 K(o=1.9,f=-0.73) USER MOD Set 5.1: A 48 HIS : no HE2:sc= 1.66 K(o=3,f=-8.7!) USER MOD Set 5.2: A 82 THR OG1 : rot 111:sc= 1.32 USER MOD Set 6.1: A 36 THR OG1 : rot 81:sc= 1.29 USER MOD Set 6.2: A 92 TYR OH : rot 180:sc= 0.837 USER MOD Set 7.1: A 13 MET CE :methyl -165:sc=-0.00168 (180deg=-0.29) USER MOD Set 7.2: A 15 SER OG : rot 180:sc= 0.136 USER MOD Set 8.1: A 3 SER OG : rot 180:sc= 0.505 USER MOD Set 8.2: A 7 LYS NZ :NH3+ -172:sc= 0.492 (180deg=-0.283) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 HIS : no HE2:sc= -1.2 K(o=-1.2,f=-3.1!) USER MOD Single : A 17 ASN : amide:sc= 0.388 K(o=0.39,f=-4!) USER MOD Single : A 18 SER OG : rot -56:sc= 0.478 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.0195 X(o=-0.019,f=0) USER MOD Single : A 25 TYR OH : rot -170:sc= 1.72 USER MOD Single : A 27 ASN : amide:sc= 1.82 K(o=1.8,f=-3.9!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl 173:sc= 0 (180deg=-0.0994) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0421) USER MOD Single : A 35 MET CE :methyl 172:sc= 0 (180deg=-0.0762) USER MOD Single : A 37 GLN : amide:sc= -0.197 K(o=-0.2,f=-2.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0133) USER MOD Single : A 44 ASN : amide:sc= -0.479 X(o=-0.48,f=-0.54) USER MOD Single : A 45 THR OG1 : rot -124:sc= 1.22 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0119) USER MOD Single : A 59 SER OG : rot -54:sc=0.000241 USER MOD Single : A 60 GLN : amide:sc= 0.759 K(o=0.76,f=-0.075) USER MOD Single : A 61 LYS NZ :NH3+ -168:sc= -0.0108 (180deg=-0.152) USER MOD Single : A 62 LYS NZ :NH3+ -164:sc= -0.139 (180deg=-0.528) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.032) USER MOD Single : A 69 GLN : amide:sc= 0.301 X(o=0.3,f=-0.073) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 76 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0456) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0409 USER MOD Single : A 79 MET CE :methyl 154:sc= 0 (180deg=-0.0308) USER MOD Single : A 87 THR OG1 : rot 80:sc= 0.927 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 91:sc= 1.62 USER MOD Single : A 91 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0597) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 TYR OH : rot -154:sc= 1.23 USER MOD Single : A 98 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0316) USER MOD Single : A 99 THR OG1 : rot -56:sc= 0.646 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -172:sc=-0.000114 (180deg=-0.0643) USER MOD Single : A 105 HIS : no HD1:sc= 0.684 K(o=0.68,f=-2.4!) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 HIS : no HE2:sc= 0.484 K(o=0.48,f=-3.2!) USER MOD Single : A 123 SER OG : rot 56:sc= 0.179 USER MOD ----------------------------------------------------------------- ATOM 40 N SER A 3 -10.966 -11.156 6.989 1.00 0.00 N ATOM 41 CA SER A 3 -9.960 -10.633 7.902 1.00 0.00 C ATOM 42 C SER A 3 -8.591 -10.673 7.217 1.00 0.00 C ATOM 43 O SER A 3 -8.447 -11.219 6.127 1.00 0.00 O ATOM 44 CB SER A 3 -9.964 -11.395 9.227 1.00 0.00 C ATOM 45 OG SER A 3 -9.177 -10.679 10.166 1.00 0.00 O ATOM 0 HA SER A 3 -10.195 -9.597 8.145 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.984 -11.507 9.596 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.564 -12.399 9.087 1.00 0.00 H new ATOM 0 HG SER A 3 -9.173 -11.157 11.021 1.00 0.00 H new ATOM 51 N ALA A 4 -7.580 -10.080 7.848 1.00 0.00 N ATOM 52 CA ALA A 4 -6.209 -9.993 7.362 1.00 0.00 C ATOM 53 C ALA A 4 -6.101 -9.032 6.182 1.00 0.00 C ATOM 54 O ALA A 4 -5.581 -7.925 6.304 1.00 0.00 O ATOM 55 CB ALA A 4 -5.662 -11.382 6.988 1.00 0.00 C ATOM 0 H ALA A 4 -7.702 -9.627 8.754 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.598 -9.598 8.173 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.637 -11.285 6.629 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.679 -12.028 7.866 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.281 -11.818 6.204 1.00 0.00 H new ATOM 61 N ALA A 5 -6.603 -9.472 5.033 1.00 0.00 N ATOM 62 CA ALA A 5 -6.362 -8.818 3.755 1.00 0.00 C ATOM 63 C ALA A 5 -7.252 -7.599 3.601 1.00 0.00 C ATOM 64 O ALA A 5 -6.771 -6.498 3.361 1.00 0.00 O ATOM 65 CB ALA A 5 -6.564 -9.811 2.613 1.00 0.00 C ATOM 0 H ALA A 5 -7.194 -10.300 4.964 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.329 -8.472 3.722 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -6.382 -9.313 1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.868 -10.642 2.727 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -7.587 -10.188 2.635 1.00 0.00 H new ATOM 71 N ALA A 6 -8.558 -7.781 3.788 1.00 0.00 N ATOM 72 CA ALA A 6 -9.493 -6.662 3.842 1.00 0.00 C ATOM 73 C ALA A 6 -8.982 -5.560 4.772 1.00 0.00 C ATOM 74 O ALA A 6 -9.017 -4.386 4.410 1.00 0.00 O ATOM 75 CB ALA A 6 -10.872 -7.140 4.285 1.00 0.00 C ATOM 0 H ALA A 6 -8.992 -8.696 3.905 1.00 0.00 H new ATOM 0 HA ALA A 6 -9.575 -6.243 2.839 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -11.557 -6.293 4.320 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.246 -7.880 3.577 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -10.800 -7.590 5.275 1.00 0.00 H new ATOM 81 N LYS A 7 -8.493 -5.940 5.956 1.00 0.00 N ATOM 82 CA LYS A 7 -7.928 -5.006 6.919 1.00 0.00 C ATOM 83 C LYS A 7 -6.702 -4.318 6.310 1.00 0.00 C ATOM 84 O LYS A 7 -6.685 -3.100 6.152 1.00 0.00 O ATOM 85 CB LYS A 7 -7.568 -5.751 8.211 1.00 0.00 C ATOM 86 CG LYS A 7 -8.739 -5.908 9.191 1.00 0.00 C ATOM 87 CD LYS A 7 -9.896 -6.707 8.581 1.00 0.00 C ATOM 88 CE LYS A 7 -10.941 -7.136 9.620 1.00 0.00 C ATOM 89 NZ LYS A 7 -10.386 -8.039 10.647 1.00 0.00 N ATOM 0 H LYS A 7 -8.480 -6.910 6.270 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.661 -4.238 7.165 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.188 -6.740 7.954 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.759 -5.219 8.711 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.391 -6.408 10.095 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.097 -4.922 9.489 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -10.381 -6.105 7.813 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.498 -7.593 8.087 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.351 -6.250 10.104 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.768 -7.633 9.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.157 -8.405 11.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.899 -8.833 10.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -9.710 -7.516 11.240 1.00 0.00 H new ATOM 103 N PHE A 8 -5.687 -5.107 5.951 1.00 0.00 N ATOM 104 CA PHE A 8 -4.472 -4.662 5.272 1.00 0.00 C ATOM 105 C PHE A 8 -4.776 -3.643 4.165 1.00 0.00 C ATOM 106 O PHE A 8 -4.110 -2.612 4.040 1.00 0.00 O ATOM 107 CB PHE A 8 -3.784 -5.905 4.694 1.00 0.00 C ATOM 108 CG PHE A 8 -2.610 -5.641 3.778 1.00 0.00 C ATOM 109 CD1 PHE A 8 -1.529 -4.857 4.214 1.00 0.00 C ATOM 110 CD2 PHE A 8 -2.606 -6.186 2.480 1.00 0.00 C ATOM 111 CE1 PHE A 8 -0.449 -4.615 3.351 1.00 0.00 C ATOM 112 CE2 PHE A 8 -1.520 -5.956 1.626 1.00 0.00 C ATOM 113 CZ PHE A 8 -0.440 -5.175 2.062 1.00 0.00 C ATOM 0 H PHE A 8 -5.691 -6.111 6.133 1.00 0.00 H new ATOM 0 HA PHE A 8 -3.820 -4.155 5.983 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -3.442 -6.526 5.522 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -4.526 -6.485 4.145 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -1.529 -4.441 5.211 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -3.441 -6.782 2.142 1.00 0.00 H new ATOM 0 HE1 PHE A 8 0.375 -3.998 3.678 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.514 -6.380 0.633 1.00 0.00 H new ATOM 0 HZ PHE A 8 0.400 -5.003 1.406 1.00 0.00 H new ATOM 123 N GLU A 9 -5.810 -3.914 3.370 1.00 0.00 N ATOM 124 CA GLU A 9 -6.193 -3.094 2.246 1.00 0.00 C ATOM 125 C GLU A 9 -6.460 -1.655 2.701 1.00 0.00 C ATOM 126 O GLU A 9 -6.103 -0.721 1.996 1.00 0.00 O ATOM 127 CB GLU A 9 -7.416 -3.731 1.567 1.00 0.00 C ATOM 128 CG GLU A 9 -7.082 -4.335 0.197 1.00 0.00 C ATOM 129 CD GLU A 9 -6.276 -5.627 0.313 1.00 0.00 C ATOM 130 OE1 GLU A 9 -5.033 -5.521 0.381 1.00 0.00 O ATOM 131 OE2 GLU A 9 -6.920 -6.700 0.315 1.00 0.00 O ATOM 0 H GLU A 9 -6.410 -4.728 3.501 1.00 0.00 H new ATOM 0 HA GLU A 9 -5.384 -3.044 1.518 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.822 -4.509 2.214 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.194 -2.977 1.448 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.007 -4.534 -0.345 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.518 -3.609 -0.390 1.00 0.00 H new ATOM 138 N ARG A 10 -7.046 -1.442 3.884 1.00 0.00 N ATOM 139 CA ARG A 10 -7.365 -0.093 4.338 1.00 0.00 C ATOM 140 C ARG A 10 -6.113 0.777 4.501 1.00 0.00 C ATOM 141 O ARG A 10 -6.228 2.003 4.467 1.00 0.00 O ATOM 142 CB ARG A 10 -8.173 -0.134 5.644 1.00 0.00 C ATOM 143 CG ARG A 10 -9.690 -0.219 5.411 1.00 0.00 C ATOM 144 CD ARG A 10 -10.099 -1.550 4.781 1.00 0.00 C ATOM 145 NE ARG A 10 -11.533 -1.599 4.473 1.00 0.00 N ATOM 146 CZ ARG A 10 -12.087 -2.525 3.676 1.00 0.00 C ATOM 147 NH1 ARG A 10 -11.352 -3.546 3.218 1.00 0.00 N ATOM 148 NH2 ARG A 10 -13.375 -2.423 3.335 1.00 0.00 N ATOM 0 H ARG A 10 -7.305 -2.182 4.536 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.977 0.368 3.563 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.853 -0.992 6.235 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.951 0.758 6.230 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.210 -0.092 6.360 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.004 0.600 4.764 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.527 -1.709 3.867 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.847 -2.364 5.460 1.00 0.00 H new ATOM 0 HE ARG A 10 -12.140 -0.892 4.887 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.368 -3.621 3.475 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.776 -4.248 2.612 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -13.934 -1.643 3.681 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.799 -3.125 2.729 1.00 0.00 H new ATOM 162 N GLN A 11 -4.937 0.169 4.694 1.00 0.00 N ATOM 163 CA GLN A 11 -3.682 0.901 4.801 1.00 0.00 C ATOM 164 C GLN A 11 -2.889 0.838 3.491 1.00 0.00 C ATOM 165 O GLN A 11 -2.320 1.845 3.078 1.00 0.00 O ATOM 166 CB GLN A 11 -2.890 0.442 6.035 1.00 0.00 C ATOM 167 CG GLN A 11 -2.633 -1.068 6.109 1.00 0.00 C ATOM 168 CD GLN A 11 -1.739 -1.443 7.282 1.00 0.00 C ATOM 169 OE1 GLN A 11 -0.644 -1.964 7.097 1.00 0.00 O ATOM 170 NE2 GLN A 11 -2.198 -1.189 8.505 1.00 0.00 N ATOM 0 H GLN A 11 -4.835 -0.842 4.779 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.897 1.958 4.958 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.931 0.961 6.048 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.430 0.749 6.931 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.584 -1.593 6.197 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.170 -1.402 5.180 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.113 -0.755 8.626 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.635 -1.429 9.321 1.00 0.00 H new ATOM 179 N HIS A 12 -2.833 -0.327 2.837 1.00 0.00 N ATOM 180 CA HIS A 12 -2.006 -0.505 1.646 1.00 0.00 C ATOM 181 C HIS A 12 -2.704 -0.072 0.355 1.00 0.00 C ATOM 182 O HIS A 12 -2.035 0.172 -0.642 1.00 0.00 O ATOM 183 CB HIS A 12 -1.534 -1.959 1.539 1.00 0.00 C ATOM 184 CG HIS A 12 -0.677 -2.229 0.321 1.00 0.00 C ATOM 185 ND1 HIS A 12 0.266 -1.366 -0.212 1.00 0.00 N ATOM 186 CD2 HIS A 12 -0.848 -3.258 -0.563 1.00 0.00 C ATOM 187 CE1 HIS A 12 0.668 -1.874 -1.389 1.00 0.00 C ATOM 188 NE2 HIS A 12 0.018 -3.032 -1.614 1.00 0.00 N ATOM 0 H HIS A 12 -3.352 -1.160 3.115 1.00 0.00 H new ATOM 0 HA HIS A 12 -1.144 0.152 1.765 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -0.969 -2.216 2.435 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -2.405 -2.614 1.513 1.00 0.00 H new ATOM 0 HD1 HIS A 12 0.596 -0.500 0.213 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -1.530 -4.089 -0.459 1.00 0.00 H new ATOM 0 HE1 HIS A 12 1.396 -1.426 -2.049 1.00 0.00 H new ATOM 197 N MET A 13 -4.033 -0.017 0.315 1.00 0.00 N ATOM 198 CA MET A 13 -4.761 0.206 -0.921 1.00 0.00 C ATOM 199 C MET A 13 -5.596 1.475 -0.828 1.00 0.00 C ATOM 200 O MET A 13 -6.220 1.765 0.190 1.00 0.00 O ATOM 201 CB MET A 13 -5.632 -1.023 -1.218 1.00 0.00 C ATOM 202 CG MET A 13 -6.449 -0.888 -2.505 1.00 0.00 C ATOM 203 SD MET A 13 -7.526 -2.302 -2.829 1.00 0.00 S ATOM 204 CE MET A 13 -8.413 -1.650 -4.251 1.00 0.00 C ATOM 0 H MET A 13 -4.628 -0.126 1.136 1.00 0.00 H new ATOM 0 HA MET A 13 -4.059 0.343 -1.743 1.00 0.00 H new ATOM 0 HB2 MET A 13 -4.993 -1.903 -1.292 1.00 0.00 H new ATOM 0 HB3 MET A 13 -6.310 -1.190 -0.381 1.00 0.00 H new ATOM 0 HG2 MET A 13 -7.057 0.015 -2.447 1.00 0.00 H new ATOM 0 HG3 MET A 13 -5.768 -0.760 -3.346 1.00 0.00 H new ATOM 0 HE1 MET A 13 -9.300 -2.256 -4.436 1.00 0.00 H new ATOM 0 HE2 MET A 13 -8.712 -0.621 -4.053 1.00 0.00 H new ATOM 0 HE3 MET A 13 -7.766 -1.677 -5.127 1.00 0.00 H new ATOM 214 N ASP A 14 -5.615 2.217 -1.931 1.00 0.00 N ATOM 215 CA ASP A 14 -6.552 3.287 -2.182 1.00 0.00 C ATOM 216 C ASP A 14 -6.655 3.390 -3.695 1.00 0.00 C ATOM 217 O ASP A 14 -5.734 3.898 -4.330 1.00 0.00 O ATOM 218 CB ASP A 14 -6.099 4.614 -1.567 1.00 0.00 C ATOM 219 CG ASP A 14 -6.995 5.749 -2.051 1.00 0.00 C ATOM 220 OD1 ASP A 14 -8.227 5.592 -1.907 1.00 0.00 O ATOM 221 OD2 ASP A 14 -6.442 6.734 -2.588 1.00 0.00 O ATOM 0 H ASP A 14 -4.953 2.079 -2.695 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.516 3.074 -1.720 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.135 4.551 -0.479 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.063 4.816 -1.841 1.00 0.00 H new ATOM 226 N SER A 15 -7.753 2.895 -4.269 1.00 0.00 N ATOM 227 CA SER A 15 -8.062 2.930 -5.688 1.00 0.00 C ATOM 228 C SER A 15 -8.338 4.373 -6.127 1.00 0.00 C ATOM 229 O SER A 15 -9.449 4.713 -6.527 1.00 0.00 O ATOM 230 CB SER A 15 -9.239 1.973 -5.923 1.00 0.00 C ATOM 231 OG SER A 15 -10.057 1.914 -4.762 1.00 0.00 O ATOM 0 H SER A 15 -8.483 2.437 -3.724 1.00 0.00 H new ATOM 0 HA SER A 15 -7.225 2.595 -6.301 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.828 2.310 -6.776 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.866 0.978 -6.166 1.00 0.00 H new ATOM 0 HG SER A 15 -10.806 1.303 -4.921 1.00 0.00 H new ATOM 237 N GLY A 16 -7.306 5.219 -6.054 1.00 0.00 N ATOM 238 CA GLY A 16 -7.352 6.615 -6.416 1.00 0.00 C ATOM 239 C GLY A 16 -7.799 6.718 -7.863 1.00 0.00 C ATOM 240 O GLY A 16 -7.085 6.278 -8.765 1.00 0.00 O ATOM 0 H GLY A 16 -6.385 4.926 -5.727 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.042 7.153 -5.766 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.371 7.073 -6.288 1.00 0.00 H new ATOM 244 N ASN A 17 -9.009 7.242 -8.041 1.00 0.00 N ATOM 245 CA ASN A 17 -9.728 7.316 -9.300 1.00 0.00 C ATOM 246 C ASN A 17 -9.872 8.781 -9.710 1.00 0.00 C ATOM 247 O ASN A 17 -9.826 9.665 -8.854 1.00 0.00 O ATOM 248 CB ASN A 17 -11.095 6.638 -9.130 1.00 0.00 C ATOM 249 CG ASN A 17 -11.884 6.569 -10.436 1.00 0.00 C ATOM 250 OD1 ASN A 17 -11.315 6.625 -11.523 1.00 0.00 O ATOM 251 ND2 ASN A 17 -13.206 6.463 -10.348 1.00 0.00 N ATOM 0 H ASN A 17 -9.538 7.646 -7.268 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.184 6.798 -10.089 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.950 5.629 -8.744 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.677 7.183 -8.387 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.772 6.426 -11.196 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -13.654 6.418 -9.433 1.00 0.00 H new ATOM 258 N SER A 18 -10.063 9.003 -11.012 1.00 0.00 N ATOM 259 CA SER A 18 -10.062 10.283 -11.709 1.00 0.00 C ATOM 260 C SER A 18 -8.650 10.894 -11.764 1.00 0.00 C ATOM 261 O SER A 18 -7.887 10.793 -10.800 1.00 0.00 O ATOM 262 CB SER A 18 -11.128 11.241 -11.153 1.00 0.00 C ATOM 263 OG SER A 18 -10.611 12.096 -10.153 1.00 0.00 O ATOM 0 H SER A 18 -10.236 8.229 -11.653 1.00 0.00 H new ATOM 0 HA SER A 18 -10.349 10.100 -12.744 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.534 11.841 -11.967 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.955 10.662 -10.741 1.00 0.00 H new ATOM 0 HG SER A 18 -10.207 11.559 -9.440 1.00 0.00 H new ATOM 305 N SER A 22 -1.902 13.874 -7.217 1.00 0.00 N ATOM 306 CA SER A 22 -1.261 12.874 -6.381 1.00 0.00 C ATOM 307 C SER A 22 -1.221 13.385 -4.940 1.00 0.00 C ATOM 308 O SER A 22 -2.001 12.945 -4.098 1.00 0.00 O ATOM 309 CB SER A 22 0.137 12.612 -6.947 1.00 0.00 C ATOM 310 OG SER A 22 0.829 13.833 -7.145 1.00 0.00 O ATOM 0 HA SER A 22 -1.811 11.933 -6.378 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.699 11.975 -6.264 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.058 12.074 -7.892 1.00 0.00 H new ATOM 0 HG SER A 22 1.676 13.658 -7.607 1.00 0.00 H new ATOM 316 N SER A 23 -0.317 14.335 -4.678 1.00 0.00 N ATOM 317 CA SER A 23 -0.043 14.923 -3.367 1.00 0.00 C ATOM 318 C SER A 23 -1.312 15.096 -2.530 1.00 0.00 C ATOM 319 O SER A 23 -1.495 14.446 -1.497 1.00 0.00 O ATOM 320 CB SER A 23 0.734 16.237 -3.547 1.00 0.00 C ATOM 321 OG SER A 23 1.026 16.809 -2.290 1.00 0.00 O ATOM 0 H SER A 23 0.270 14.732 -5.411 1.00 0.00 H new ATOM 0 HA SER A 23 0.580 14.233 -2.798 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.659 16.049 -4.092 1.00 0.00 H new ATOM 0 HB3 SER A 23 0.148 16.935 -4.145 1.00 0.00 H new ATOM 0 HG SER A 23 1.522 17.644 -2.418 1.00 0.00 H new ATOM 327 N ASN A 24 -2.224 15.943 -3.012 1.00 0.00 N ATOM 328 CA ASN A 24 -3.457 16.229 -2.300 1.00 0.00 C ATOM 329 C ASN A 24 -4.288 14.973 -2.072 1.00 0.00 C ATOM 330 O ASN A 24 -4.899 14.841 -1.019 1.00 0.00 O ATOM 331 CB ASN A 24 -4.272 17.295 -3.037 1.00 0.00 C ATOM 332 CG ASN A 24 -5.589 17.570 -2.314 1.00 0.00 C ATOM 333 OD1 ASN A 24 -5.633 18.362 -1.380 1.00 0.00 O ATOM 334 ND2 ASN A 24 -6.674 16.926 -2.737 1.00 0.00 N ATOM 0 H ASN A 24 -2.125 16.441 -3.897 1.00 0.00 H new ATOM 0 HA ASN A 24 -3.184 16.617 -1.319 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.693 18.216 -3.109 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.474 16.964 -4.056 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.572 17.086 -2.281 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.607 16.272 -3.517 1.00 0.00 H new ATOM 341 N TYR A 25 -4.305 14.049 -3.033 1.00 0.00 N ATOM 342 CA TYR A 25 -5.022 12.792 -2.885 1.00 0.00 C ATOM 343 C TYR A 25 -4.495 12.054 -1.653 1.00 0.00 C ATOM 344 O TYR A 25 -5.278 11.569 -0.840 1.00 0.00 O ATOM 345 CB TYR A 25 -4.870 11.943 -4.158 1.00 0.00 C ATOM 346 CG TYR A 25 -6.148 11.292 -4.652 1.00 0.00 C ATOM 347 CD1 TYR A 25 -6.690 10.185 -3.973 1.00 0.00 C ATOM 348 CD2 TYR A 25 -6.762 11.753 -5.832 1.00 0.00 C ATOM 349 CE1 TYR A 25 -7.836 9.546 -4.477 1.00 0.00 C ATOM 350 CE2 TYR A 25 -7.893 11.096 -6.348 1.00 0.00 C ATOM 351 CZ TYR A 25 -8.430 9.992 -5.669 1.00 0.00 C ATOM 352 OH TYR A 25 -9.490 9.316 -6.197 1.00 0.00 O ATOM 0 H TYR A 25 -3.825 14.153 -3.927 1.00 0.00 H new ATOM 0 HA TYR A 25 -6.085 12.986 -2.744 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.471 12.574 -4.952 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.132 11.163 -3.970 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -6.226 9.827 -3.066 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -6.362 12.616 -6.344 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.262 8.708 -3.945 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -8.347 11.441 -7.265 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.681 9.658 -7.095 1.00 0.00 H new ATOM 362 N CYS A 26 -3.168 11.994 -1.496 1.00 0.00 N ATOM 363 CA CYS A 26 -2.580 11.267 -0.375 1.00 0.00 C ATOM 364 C CYS A 26 -2.850 12.005 0.929 1.00 0.00 C ATOM 365 O CYS A 26 -3.367 11.417 1.875 1.00 0.00 O ATOM 366 CB CYS A 26 -1.079 11.037 -0.540 1.00 0.00 C ATOM 367 SG CYS A 26 -0.376 10.231 0.922 1.00 0.00 S ATOM 0 H CYS A 26 -2.493 12.434 -2.122 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.055 10.286 -0.352 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.897 10.421 -1.421 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.579 11.990 -0.709 1.00 0.00 H new ATOM 372 N ASN A 27 -2.513 13.297 0.983 1.00 0.00 N ATOM 373 CA ASN A 27 -2.719 14.104 2.183 1.00 0.00 C ATOM 374 C ASN A 27 -4.187 14.038 2.626 1.00 0.00 C ATOM 375 O ASN A 27 -4.481 13.822 3.804 1.00 0.00 O ATOM 376 CB ASN A 27 -2.248 15.551 1.941 1.00 0.00 C ATOM 377 CG ASN A 27 -1.140 15.965 2.910 1.00 0.00 C ATOM 378 OD1 ASN A 27 0.016 16.118 2.524 1.00 0.00 O ATOM 379 ND2 ASN A 27 -1.471 16.147 4.182 1.00 0.00 N ATOM 0 H ASN A 27 -2.095 13.806 0.204 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.118 13.699 2.997 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.888 15.648 0.917 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.094 16.230 2.047 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -0.759 16.419 4.860 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.437 16.015 4.482 1.00 0.00 H new ATOM 386 N LEU A 28 -5.111 14.193 1.672 1.00 0.00 N ATOM 387 CA LEU A 28 -6.540 14.053 1.903 1.00 0.00 C ATOM 388 C LEU A 28 -6.847 12.666 2.458 1.00 0.00 C ATOM 389 O LEU A 28 -7.486 12.559 3.497 1.00 0.00 O ATOM 390 CB LEU A 28 -7.325 14.314 0.610 1.00 0.00 C ATOM 391 CG LEU A 28 -8.842 14.102 0.751 1.00 0.00 C ATOM 392 CD1 LEU A 28 -9.462 15.040 1.794 1.00 0.00 C ATOM 393 CD2 LEU A 28 -9.506 14.342 -0.609 1.00 0.00 C ATOM 0 H LEU A 28 -4.877 14.422 0.706 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.851 14.795 2.638 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.139 15.337 0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.947 13.656 -0.173 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.010 13.079 1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.534 14.854 1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.003 14.858 2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.290 16.075 1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.582 14.194 -0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.306 15.362 -0.937 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.103 13.641 -1.340 1.00 0.00 H new ATOM 405 N MET A 29 -6.414 11.600 1.780 1.00 0.00 N ATOM 406 CA MET A 29 -6.692 10.248 2.245 1.00 0.00 C ATOM 407 C MET A 29 -6.178 10.032 3.667 1.00 0.00 C ATOM 408 O MET A 29 -6.894 9.463 4.485 1.00 0.00 O ATOM 409 CB MET A 29 -6.149 9.206 1.261 1.00 0.00 C ATOM 410 CG MET A 29 -7.091 9.085 0.055 1.00 0.00 C ATOM 411 SD MET A 29 -8.694 8.324 0.433 1.00 0.00 S ATOM 412 CE MET A 29 -9.546 8.552 -1.140 1.00 0.00 C ATOM 0 H MET A 29 -5.875 11.650 0.916 1.00 0.00 H new ATOM 0 HA MET A 29 -7.773 10.117 2.282 1.00 0.00 H new ATOM 0 HB2 MET A 29 -5.152 9.493 0.927 1.00 0.00 H new ATOM 0 HB3 MET A 29 -6.053 8.240 1.757 1.00 0.00 H new ATOM 0 HG2 MET A 29 -7.262 10.079 -0.358 1.00 0.00 H new ATOM 0 HG3 MET A 29 -6.597 8.498 -0.720 1.00 0.00 H new ATOM 0 HE1 MET A 29 -10.551 8.136 -1.073 1.00 0.00 H new ATOM 0 HE2 MET A 29 -9.609 9.616 -1.369 1.00 0.00 H new ATOM 0 HE3 MET A 29 -8.994 8.043 -1.930 1.00 0.00 H new ATOM 422 N MET A 30 -4.975 10.507 3.993 1.00 0.00 N ATOM 423 CA MET A 30 -4.459 10.417 5.352 1.00 0.00 C ATOM 424 C MET A 30 -5.396 11.144 6.321 1.00 0.00 C ATOM 425 O MET A 30 -5.720 10.613 7.381 1.00 0.00 O ATOM 426 CB MET A 30 -3.050 11.010 5.445 1.00 0.00 C ATOM 427 CG MET A 30 -2.013 10.390 4.497 1.00 0.00 C ATOM 428 SD MET A 30 -0.816 9.272 5.264 1.00 0.00 S ATOM 429 CE MET A 30 -1.864 7.855 5.654 1.00 0.00 C ATOM 0 H MET A 30 -4.343 10.957 3.331 1.00 0.00 H new ATOM 0 HA MET A 30 -4.406 9.363 5.625 1.00 0.00 H new ATOM 0 HB2 MET A 30 -3.110 12.079 5.242 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.694 10.899 6.469 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.543 9.845 3.716 1.00 0.00 H new ATOM 0 HG3 MET A 30 -1.467 11.197 4.008 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.246 7.034 6.018 1.00 0.00 H new ATOM 0 HE2 MET A 30 -2.584 8.136 6.423 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.396 7.538 4.757 1.00 0.00 H new ATOM 439 N CYS A 31 -5.823 12.360 5.965 1.00 0.00 N ATOM 440 CA CYS A 31 -6.749 13.145 6.778 1.00 0.00 C ATOM 441 C CYS A 31 -8.077 12.411 6.994 1.00 0.00 C ATOM 442 O CYS A 31 -8.535 12.289 8.127 1.00 0.00 O ATOM 443 CB CYS A 31 -6.978 14.521 6.149 1.00 0.00 C ATOM 444 SG CYS A 31 -8.158 15.423 7.178 1.00 0.00 S ATOM 0 H CYS A 31 -5.534 12.825 5.104 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.295 13.284 7.759 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -6.038 15.068 6.080 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.361 14.416 5.134 1.00 0.00 H new ATOM 0 HG CYS A 31 -8.370 16.599 6.666 1.00 0.00 H new ATOM 450 N CYS A 32 -8.685 11.897 5.922 1.00 0.00 N ATOM 451 CA CYS A 32 -9.945 11.161 5.961 1.00 0.00 C ATOM 452 C CYS A 32 -9.801 9.894 6.800 1.00 0.00 C ATOM 453 O CYS A 32 -10.637 9.611 7.654 1.00 0.00 O ATOM 454 CB CYS A 32 -10.386 10.797 4.538 1.00 0.00 C ATOM 455 SG CYS A 32 -11.107 12.233 3.707 1.00 0.00 S ATOM 0 H CYS A 32 -8.303 11.985 4.980 1.00 0.00 H new ATOM 0 HA CYS A 32 -10.702 11.798 6.419 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -9.531 10.432 3.969 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -11.114 9.987 4.573 1.00 0.00 H new ATOM 0 HG CYS A 32 -11.470 11.901 2.504 1.00 0.00 H new ATOM 461 N ARG A 33 -8.738 9.125 6.549 1.00 0.00 N ATOM 462 CA ARG A 33 -8.376 7.954 7.339 1.00 0.00 C ATOM 463 C ARG A 33 -8.163 8.370 8.801 1.00 0.00 C ATOM 464 O ARG A 33 -8.467 7.614 9.721 1.00 0.00 O ATOM 465 CB ARG A 33 -7.119 7.310 6.724 1.00 0.00 C ATOM 466 CG ARG A 33 -6.827 5.893 7.246 1.00 0.00 C ATOM 467 CD ARG A 33 -7.234 4.796 6.251 1.00 0.00 C ATOM 468 NE ARG A 33 -8.681 4.794 6.005 1.00 0.00 N ATOM 469 CZ ARG A 33 -9.290 4.133 5.010 1.00 0.00 C ATOM 470 NH1 ARG A 33 -8.600 3.315 4.206 1.00 0.00 N ATOM 471 NH2 ARG A 33 -10.603 4.296 4.825 1.00 0.00 N ATOM 0 H ARG A 33 -8.096 9.305 5.777 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.175 7.212 7.326 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.235 7.271 5.641 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.259 7.947 6.929 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.763 5.803 7.463 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.358 5.740 8.185 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.705 4.945 5.309 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.929 3.823 6.637 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.268 5.337 6.639 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -7.598 3.188 4.346 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.077 2.819 3.453 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.131 4.918 5.437 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.077 3.799 4.071 1.00 0.00 H new ATOM 485 N LYS A 34 -7.643 9.584 9.000 1.00 0.00 N ATOM 486 CA LYS A 34 -7.500 10.265 10.275 1.00 0.00 C ATOM 487 C LYS A 34 -6.517 9.517 11.171 1.00 0.00 C ATOM 488 O LYS A 34 -6.695 9.438 12.385 1.00 0.00 O ATOM 489 CB LYS A 34 -8.881 10.506 10.907 1.00 0.00 C ATOM 490 CG LYS A 34 -8.858 11.657 11.925 1.00 0.00 C ATOM 491 CD LYS A 34 -10.271 12.050 12.382 1.00 0.00 C ATOM 492 CE LYS A 34 -11.073 10.883 12.975 1.00 0.00 C ATOM 493 NZ LYS A 34 -10.344 10.204 14.060 1.00 0.00 N ATOM 0 H LYS A 34 -7.292 10.145 8.224 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.066 11.254 10.127 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.604 10.731 10.123 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.218 9.594 11.399 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.266 11.363 12.791 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.366 12.523 11.482 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.196 12.843 13.126 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -10.817 12.461 11.533 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.025 11.254 13.355 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.302 10.165 12.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.971 9.514 14.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.517 9.711 13.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -10.029 10.906 14.759 1.00 0.00 H new ATOM 507 N MET A 35 -5.434 9.014 10.568 1.00 0.00 N ATOM 508 CA MET A 35 -4.364 8.336 11.290 1.00 0.00 C ATOM 509 C MET A 35 -3.160 9.270 11.437 1.00 0.00 C ATOM 510 O MET A 35 -2.021 8.819 11.526 1.00 0.00 O ATOM 511 CB MET A 35 -4.023 7.018 10.587 1.00 0.00 C ATOM 512 CG MET A 35 -5.228 6.069 10.592 1.00 0.00 C ATOM 513 SD MET A 35 -4.929 4.402 9.946 1.00 0.00 S ATOM 514 CE MET A 35 -3.869 3.717 11.239 1.00 0.00 C ATOM 0 H MET A 35 -5.279 9.069 9.561 1.00 0.00 H new ATOM 0 HA MET A 35 -4.688 8.083 12.300 1.00 0.00 H new ATOM 0 HB2 MET A 35 -3.716 7.217 9.560 1.00 0.00 H new ATOM 0 HB3 MET A 35 -3.178 6.543 11.086 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.592 5.981 11.616 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.027 6.525 10.008 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.716 2.653 11.058 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.907 4.229 11.230 1.00 0.00 H new ATOM 0 HE3 MET A 35 -4.344 3.855 12.210 1.00 0.00 H new ATOM 524 N THR A 36 -3.424 10.578 11.446 1.00 0.00 N ATOM 525 CA THR A 36 -2.435 11.633 11.562 1.00 0.00 C ATOM 526 C THR A 36 -2.610 12.413 12.870 1.00 0.00 C ATOM 527 O THR A 36 -1.980 13.451 13.056 1.00 0.00 O ATOM 528 CB THR A 36 -2.603 12.543 10.340 1.00 0.00 C ATOM 529 OG1 THR A 36 -3.973 12.895 10.193 1.00 0.00 O ATOM 530 CG2 THR A 36 -2.133 11.828 9.070 1.00 0.00 C ATOM 0 H THR A 36 -4.375 10.938 11.369 1.00 0.00 H new ATOM 0 HA THR A 36 -1.428 11.216 11.589 1.00 0.00 H new ATOM 0 HB THR A 36 -2.000 13.439 10.489 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.191 13.626 10.809 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.260 12.489 8.212 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.081 11.562 9.171 1.00 0.00 H new ATOM 0 HG23 THR A 36 -2.724 10.924 8.922 1.00 0.00 H new ATOM 538 N GLN A 37 -3.495 11.951 13.763 1.00 0.00 N ATOM 539 CA GLN A 37 -3.837 12.692 14.963 1.00 0.00 C ATOM 540 C GLN A 37 -2.619 12.798 15.884 1.00 0.00 C ATOM 541 O GLN A 37 -2.048 11.785 16.282 1.00 0.00 O ATOM 542 CB GLN A 37 -5.046 12.048 15.661 1.00 0.00 C ATOM 543 CG GLN A 37 -5.485 12.836 16.905 1.00 0.00 C ATOM 544 CD GLN A 37 -5.753 14.305 16.587 1.00 0.00 C ATOM 545 OE1 GLN A 37 -4.873 15.146 16.735 1.00 0.00 O ATOM 546 NE2 GLN A 37 -6.954 14.623 16.114 1.00 0.00 N ATOM 0 H GLN A 37 -3.984 11.061 13.667 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.126 13.708 14.693 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.878 11.986 14.960 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -4.796 11.027 15.949 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.386 12.385 17.320 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.712 12.766 17.670 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.666 13.901 16.002 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -7.164 15.589 15.863 1.00 0.00 H new ATOM 555 N GLY A 38 -2.236 14.027 16.237 1.00 0.00 N ATOM 556 CA GLY A 38 -1.076 14.307 17.068 1.00 0.00 C ATOM 557 C GLY A 38 0.229 14.036 16.319 1.00 0.00 C ATOM 558 O GLY A 38 0.974 14.967 16.018 1.00 0.00 O ATOM 0 H GLY A 38 -2.736 14.867 15.945 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.102 15.348 17.391 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.115 13.693 17.967 1.00 0.00 H new ATOM 562 N LYS A 39 0.511 12.761 16.039 1.00 0.00 N ATOM 563 CA LYS A 39 1.669 12.314 15.282 1.00 0.00 C ATOM 564 C LYS A 39 1.203 11.769 13.932 1.00 0.00 C ATOM 565 O LYS A 39 0.051 11.368 13.781 1.00 0.00 O ATOM 566 CB LYS A 39 2.448 11.257 16.073 1.00 0.00 C ATOM 567 CG LYS A 39 2.894 11.802 17.438 1.00 0.00 C ATOM 568 CD LYS A 39 3.879 10.864 18.149 1.00 0.00 C ATOM 569 CE LYS A 39 3.234 9.526 18.527 1.00 0.00 C ATOM 570 NZ LYS A 39 4.151 8.698 19.332 1.00 0.00 N ATOM 0 H LYS A 39 -0.084 11.991 16.346 1.00 0.00 H new ATOM 0 HA LYS A 39 2.343 13.153 15.108 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.825 10.374 16.217 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.321 10.941 15.502 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.360 12.778 17.302 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.019 11.952 18.070 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.737 10.682 17.501 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.256 11.350 19.048 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.317 9.707 19.088 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.953 8.987 17.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.687 7.799 19.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.015 8.506 18.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.399 9.204 20.206 1.00 0.00 H new ATOM 584 N CYS A 40 2.108 11.767 12.954 1.00 0.00 N ATOM 585 CA CYS A 40 1.817 11.473 11.557 1.00 0.00 C ATOM 586 C CYS A 40 2.619 10.251 11.127 1.00 0.00 C ATOM 587 O CYS A 40 3.721 10.024 11.623 1.00 0.00 O ATOM 588 CB CYS A 40 2.124 12.713 10.714 1.00 0.00 C ATOM 589 SG CYS A 40 0.855 13.986 10.866 1.00 0.00 S ATOM 0 H CYS A 40 3.092 11.977 13.120 1.00 0.00 H new ATOM 0 HA CYS A 40 0.763 11.234 11.414 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.086 13.126 11.018 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.218 12.422 9.668 1.00 0.00 H new ATOM 594 N LYS A 41 2.042 9.429 10.248 1.00 0.00 N ATOM 595 CA LYS A 41 2.650 8.168 9.855 1.00 0.00 C ATOM 596 C LYS A 41 3.889 8.438 8.995 1.00 0.00 C ATOM 597 O LYS A 41 3.846 9.348 8.164 1.00 0.00 O ATOM 598 CB LYS A 41 1.636 7.316 9.083 1.00 0.00 C ATOM 599 CG LYS A 41 0.501 6.838 10.000 1.00 0.00 C ATOM 600 CD LYS A 41 -0.608 6.113 9.223 1.00 0.00 C ATOM 601 CE LYS A 41 -0.127 4.890 8.429 1.00 0.00 C ATOM 602 NZ LYS A 41 0.532 3.896 9.294 1.00 0.00 N ATOM 0 H LYS A 41 1.148 9.621 9.795 1.00 0.00 H new ATOM 0 HA LYS A 41 2.954 7.620 10.747 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.221 7.897 8.259 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.140 6.455 8.644 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.907 6.169 10.759 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.075 7.694 10.524 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.379 5.796 9.925 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.074 6.818 8.535 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.976 4.427 7.926 1.00 0.00 H new ATOM 0 HE3 LYS A 41 0.567 5.212 7.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.796 3.064 8.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.386 4.314 9.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.121 3.607 10.050 1.00 0.00 H new ATOM 616 N PRO A 42 4.968 7.654 9.154 1.00 0.00 N ATOM 617 CA PRO A 42 6.185 7.832 8.385 1.00 0.00 C ATOM 618 C PRO A 42 5.928 7.584 6.898 1.00 0.00 C ATOM 619 O PRO A 42 6.018 8.515 6.101 1.00 0.00 O ATOM 620 CB PRO A 42 7.219 6.881 8.997 1.00 0.00 C ATOM 621 CG PRO A 42 6.388 5.823 9.725 1.00 0.00 C ATOM 622 CD PRO A 42 5.113 6.573 10.116 1.00 0.00 C ATOM 0 HA PRO A 42 6.560 8.854 8.433 1.00 0.00 H new ATOM 0 HB2 PRO A 42 7.848 6.431 8.228 1.00 0.00 H new ATOM 0 HB3 PRO A 42 7.882 7.406 9.684 1.00 0.00 H new ATOM 0 HG2 PRO A 42 6.170 4.971 9.081 1.00 0.00 H new ATOM 0 HG3 PRO A 42 6.910 5.436 10.600 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.248 5.910 10.090 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.186 6.963 11.131 1.00 0.00 H new ATOM 630 N VAL A 43 5.618 6.335 6.535 1.00 0.00 N ATOM 631 CA VAL A 43 5.478 5.866 5.166 1.00 0.00 C ATOM 632 C VAL A 43 4.152 5.125 5.003 1.00 0.00 C ATOM 633 O VAL A 43 3.659 4.520 5.955 1.00 0.00 O ATOM 634 CB VAL A 43 6.696 4.992 4.819 1.00 0.00 C ATOM 635 CG1 VAL A 43 6.710 3.652 5.569 1.00 0.00 C ATOM 636 CG2 VAL A 43 6.803 4.746 3.309 1.00 0.00 C ATOM 0 H VAL A 43 5.452 5.598 7.221 1.00 0.00 H new ATOM 0 HA VAL A 43 5.455 6.703 4.468 1.00 0.00 H new ATOM 0 HB VAL A 43 7.566 5.560 5.149 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.594 3.083 5.280 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.732 3.836 6.643 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.814 3.084 5.317 1.00 0.00 H new ATOM 0 HG21 VAL A 43 7.675 4.125 3.102 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.905 4.238 2.959 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.906 5.700 2.791 1.00 0.00 H new ATOM 646 N ASN A 44 3.568 5.188 3.804 1.00 0.00 N ATOM 647 CA ASN A 44 2.360 4.474 3.423 1.00 0.00 C ATOM 648 C ASN A 44 2.299 4.380 1.896 1.00 0.00 C ATOM 649 O ASN A 44 2.174 5.392 1.211 1.00 0.00 O ATOM 650 CB ASN A 44 1.101 5.127 4.017 1.00 0.00 C ATOM 651 CG ASN A 44 0.843 6.563 3.558 1.00 0.00 C ATOM 652 OD1 ASN A 44 -0.126 6.834 2.860 1.00 0.00 O ATOM 653 ND2 ASN A 44 1.671 7.512 3.988 1.00 0.00 N ATOM 0 H ASN A 44 3.942 5.761 3.048 1.00 0.00 H new ATOM 0 HA ASN A 44 2.393 3.465 3.835 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.236 4.517 3.757 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.183 5.118 5.104 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.504 8.486 3.737 1.00 0.00 H new ATOM 0 HD22 ASN A 44 2.472 7.265 4.569 1.00 0.00 H new ATOM 660 N THR A 45 2.422 3.170 1.349 1.00 0.00 N ATOM 661 CA THR A 45 2.313 2.943 -0.084 1.00 0.00 C ATOM 662 C THR A 45 0.881 2.557 -0.421 1.00 0.00 C ATOM 663 O THR A 45 0.463 1.449 -0.085 1.00 0.00 O ATOM 664 CB THR A 45 3.314 1.876 -0.542 1.00 0.00 C ATOM 665 OG1 THR A 45 4.613 2.312 -0.187 1.00 0.00 O ATOM 666 CG2 THR A 45 3.220 1.659 -2.058 1.00 0.00 C ATOM 0 H THR A 45 2.600 2.324 1.890 1.00 0.00 H new ATOM 0 HA THR A 45 2.560 3.859 -0.620 1.00 0.00 H new ATOM 0 HB THR A 45 3.090 0.925 -0.059 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.181 2.330 -0.985 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.939 0.898 -2.362 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.213 1.331 -2.317 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.441 2.593 -2.574 1.00 0.00 H new ATOM 674 N PHE A 46 0.161 3.454 -1.100 1.00 0.00 N ATOM 675 CA PHE A 46 -1.185 3.201 -1.590 1.00 0.00 C ATOM 676 C PHE A 46 -1.121 2.586 -2.989 1.00 0.00 C ATOM 677 O PHE A 46 -0.700 3.253 -3.935 1.00 0.00 O ATOM 678 CB PHE A 46 -2.003 4.497 -1.617 1.00 0.00 C ATOM 679 CG PHE A 46 -2.473 5.012 -0.268 1.00 0.00 C ATOM 680 CD1 PHE A 46 -3.322 4.222 0.531 1.00 0.00 C ATOM 681 CD2 PHE A 46 -2.183 6.334 0.126 1.00 0.00 C ATOM 682 CE1 PHE A 46 -3.888 4.750 1.705 1.00 0.00 C ATOM 683 CE2 PHE A 46 -2.761 6.867 1.291 1.00 0.00 C ATOM 684 CZ PHE A 46 -3.619 6.078 2.078 1.00 0.00 C ATOM 0 H PHE A 46 0.507 4.387 -1.325 1.00 0.00 H new ATOM 0 HA PHE A 46 -1.677 2.501 -0.915 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.403 5.273 -2.092 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.877 4.339 -2.249 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -3.540 3.205 0.240 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.515 6.939 -0.469 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.529 4.135 2.320 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -2.546 7.884 1.582 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.070 6.492 2.968 1.00 0.00 H new ATOM 694 N VAL A 47 -1.549 1.330 -3.126 1.00 0.00 N ATOM 695 CA VAL A 47 -1.788 0.697 -4.416 1.00 0.00 C ATOM 696 C VAL A 47 -3.135 1.191 -4.939 1.00 0.00 C ATOM 697 O VAL A 47 -4.072 1.334 -4.150 1.00 0.00 O ATOM 698 CB VAL A 47 -1.724 -0.841 -4.279 1.00 0.00 C ATOM 699 CG1 VAL A 47 -3.026 -1.560 -3.908 1.00 0.00 C ATOM 700 CG2 VAL A 47 -1.222 -1.478 -5.581 1.00 0.00 C ATOM 0 H VAL A 47 -1.741 0.719 -2.332 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.016 0.968 -5.137 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.043 -0.975 -3.439 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.844 -2.633 -3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.382 -1.194 -2.945 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.780 -1.365 -4.671 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.184 -2.561 -5.465 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.900 -1.224 -6.395 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.225 -1.102 -5.809 1.00 0.00 H new ATOM 710 N HIS A 48 -3.236 1.454 -6.246 1.00 0.00 N ATOM 711 CA HIS A 48 -4.512 1.798 -6.857 1.00 0.00 C ATOM 712 C HIS A 48 -5.268 0.495 -7.146 1.00 0.00 C ATOM 713 O HIS A 48 -5.635 -0.222 -6.218 1.00 0.00 O ATOM 714 CB HIS A 48 -4.307 2.712 -8.078 1.00 0.00 C ATOM 715 CG HIS A 48 -3.835 4.096 -7.710 1.00 0.00 C ATOM 716 ND1 HIS A 48 -4.549 5.272 -7.874 1.00 0.00 N ATOM 717 CD2 HIS A 48 -2.644 4.401 -7.111 1.00 0.00 C ATOM 718 CE1 HIS A 48 -3.800 6.271 -7.373 1.00 0.00 C ATOM 719 NE2 HIS A 48 -2.645 5.764 -6.902 1.00 0.00 N ATOM 0 H HIS A 48 -2.449 1.434 -6.894 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.132 2.388 -6.182 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -3.581 2.254 -8.749 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -5.245 2.789 -8.628 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -5.473 5.364 -8.297 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -1.856 3.709 -6.852 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -4.081 7.314 -7.352 1.00 0.00 H new ATOM 728 N GLU A 49 -5.450 0.147 -8.424 1.00 0.00 N ATOM 729 CA GLU A 49 -5.943 -1.165 -8.826 1.00 0.00 C ATOM 730 C GLU A 49 -7.351 -1.436 -8.272 1.00 0.00 C ATOM 731 O GLU A 49 -8.112 -0.501 -8.026 1.00 0.00 O ATOM 732 CB GLU A 49 -4.884 -2.221 -8.445 1.00 0.00 C ATOM 733 CG GLU A 49 -4.647 -3.231 -9.575 1.00 0.00 C ATOM 734 CD GLU A 49 -3.626 -4.294 -9.170 1.00 0.00 C ATOM 735 OE1 GLU A 49 -3.821 -4.887 -8.088 1.00 0.00 O ATOM 736 OE2 GLU A 49 -2.673 -4.494 -9.952 1.00 0.00 O ATOM 0 H GLU A 49 -5.258 0.772 -9.207 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.076 -1.213 -9.907 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.946 -1.722 -8.202 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.206 -2.750 -7.548 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.589 -3.712 -9.839 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.296 -2.708 -10.465 1.00 0.00 H new ATOM 743 N SER A 50 -7.711 -2.712 -8.110 1.00 0.00 N ATOM 744 CA SER A 50 -8.972 -3.136 -7.519 1.00 0.00 C ATOM 745 C SER A 50 -8.735 -4.397 -6.687 1.00 0.00 C ATOM 746 O SER A 50 -7.774 -5.129 -6.930 1.00 0.00 O ATOM 747 CB SER A 50 -10.027 -3.366 -8.605 1.00 0.00 C ATOM 748 OG SER A 50 -11.265 -3.696 -8.004 1.00 0.00 O ATOM 0 H SER A 50 -7.118 -3.492 -8.394 1.00 0.00 H new ATOM 0 HA SER A 50 -9.353 -2.352 -6.864 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.136 -2.470 -9.216 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.709 -4.169 -9.270 1.00 0.00 H new ATOM 0 HG SER A 50 -11.939 -3.841 -8.701 1.00 0.00 H new ATOM 754 N LEU A 51 -9.621 -4.643 -5.715 1.00 0.00 N ATOM 755 CA LEU A 51 -9.510 -5.716 -4.732 1.00 0.00 C ATOM 756 C LEU A 51 -9.213 -7.043 -5.428 1.00 0.00 C ATOM 757 O LEU A 51 -8.295 -7.766 -5.046 1.00 0.00 O ATOM 758 CB LEU A 51 -10.807 -5.793 -3.912 1.00 0.00 C ATOM 759 CG LEU A 51 -10.826 -6.940 -2.884 1.00 0.00 C ATOM 760 CD1 LEU A 51 -9.693 -6.819 -1.857 1.00 0.00 C ATOM 761 CD2 LEU A 51 -12.172 -6.934 -2.152 1.00 0.00 C ATOM 0 H LEU A 51 -10.462 -4.079 -5.591 1.00 0.00 H new ATOM 0 HA LEU A 51 -8.683 -5.507 -4.054 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.952 -4.847 -3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.650 -5.914 -4.593 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.682 -7.875 -3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.749 -7.650 -1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.732 -6.842 -2.371 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.792 -5.878 -1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -12.193 -7.744 -1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.304 -5.981 -1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.978 -7.074 -2.872 1.00 0.00 H new ATOM 773 N ALA A 52 -9.988 -7.349 -6.470 1.00 0.00 N ATOM 774 CA ALA A 52 -9.841 -8.577 -7.230 1.00 0.00 C ATOM 775 C ALA A 52 -8.420 -8.736 -7.769 1.00 0.00 C ATOM 776 O ALA A 52 -7.851 -9.820 -7.691 1.00 0.00 O ATOM 777 CB ALA A 52 -10.868 -8.607 -8.365 1.00 0.00 C ATOM 0 H ALA A 52 -10.737 -6.744 -6.807 1.00 0.00 H new ATOM 0 HA ALA A 52 -10.025 -9.420 -6.564 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.755 -9.530 -8.934 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.874 -8.559 -7.947 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.708 -7.753 -9.023 1.00 0.00 H new ATOM 783 N ASP A 53 -7.839 -7.661 -8.304 1.00 0.00 N ATOM 784 CA ASP A 53 -6.491 -7.700 -8.846 1.00 0.00 C ATOM 785 C ASP A 53 -5.484 -7.854 -7.710 1.00 0.00 C ATOM 786 O ASP A 53 -4.556 -8.654 -7.805 1.00 0.00 O ATOM 787 CB ASP A 53 -6.204 -6.425 -9.636 1.00 0.00 C ATOM 788 CG ASP A 53 -7.142 -6.240 -10.819 1.00 0.00 C ATOM 789 OD1 ASP A 53 -6.952 -6.966 -11.818 1.00 0.00 O ATOM 790 OD2 ASP A 53 -8.033 -5.372 -10.698 1.00 0.00 O ATOM 0 H ASP A 53 -8.290 -6.749 -8.371 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.402 -8.553 -9.519 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.290 -5.565 -8.972 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.175 -6.449 -9.995 1.00 0.00 H new ATOM 795 N VAL A 54 -5.681 -7.101 -6.625 1.00 0.00 N ATOM 796 CA VAL A 54 -4.815 -7.179 -5.454 1.00 0.00 C ATOM 797 C VAL A 54 -4.781 -8.624 -4.936 1.00 0.00 C ATOM 798 O VAL A 54 -3.715 -9.147 -4.616 1.00 0.00 O ATOM 799 CB VAL A 54 -5.261 -6.145 -4.401 1.00 0.00 C ATOM 800 CG1 VAL A 54 -4.538 -6.330 -3.063 1.00 0.00 C ATOM 801 CG2 VAL A 54 -4.979 -4.725 -4.912 1.00 0.00 C ATOM 0 H VAL A 54 -6.440 -6.426 -6.537 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.788 -6.920 -5.713 1.00 0.00 H new ATOM 0 HB VAL A 54 -6.328 -6.296 -4.240 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.886 -5.578 -2.354 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.749 -7.325 -2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.464 -6.219 -3.211 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.296 -3.999 -4.163 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.911 -4.611 -5.098 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.529 -4.556 -5.838 1.00 0.00 H new ATOM 811 N LYS A 55 -5.935 -9.298 -4.903 1.00 0.00 N ATOM 812 CA LYS A 55 -5.977 -10.724 -4.616 1.00 0.00 C ATOM 813 C LYS A 55 -5.282 -11.537 -5.711 1.00 0.00 C ATOM 814 O LYS A 55 -4.476 -12.411 -5.404 1.00 0.00 O ATOM 815 CB LYS A 55 -7.424 -11.190 -4.370 1.00 0.00 C ATOM 816 CG LYS A 55 -7.554 -12.074 -3.119 1.00 0.00 C ATOM 817 CD LYS A 55 -6.765 -13.394 -3.196 1.00 0.00 C ATOM 818 CE LYS A 55 -7.148 -14.296 -4.377 1.00 0.00 C ATOM 819 NZ LYS A 55 -8.581 -14.639 -4.368 1.00 0.00 N ATOM 0 H LYS A 55 -6.847 -8.875 -5.072 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.419 -10.903 -3.697 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -8.070 -10.318 -4.263 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.777 -11.744 -5.240 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.213 -11.509 -2.251 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.607 -12.302 -2.956 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.702 -13.164 -3.261 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.915 -13.947 -2.269 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.902 -13.793 -5.312 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.556 -15.211 -4.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.787 -15.290 -5.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.823 -15.096 -3.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.146 -13.773 -4.479 1.00 0.00 H new ATOM 833 N ALA A 56 -5.584 -11.270 -6.985 1.00 0.00 N ATOM 834 CA ALA A 56 -5.005 -11.994 -8.111 1.00 0.00 C ATOM 835 C ALA A 56 -3.480 -12.047 -8.014 1.00 0.00 C ATOM 836 O ALA A 56 -2.903 -13.115 -8.196 1.00 0.00 O ATOM 837 CB ALA A 56 -5.452 -11.394 -9.446 1.00 0.00 C ATOM 0 H ALA A 56 -6.241 -10.541 -7.261 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.375 -13.018 -8.067 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.004 -11.956 -10.266 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -6.538 -11.445 -9.522 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -5.133 -10.353 -9.502 1.00 0.00 H new ATOM 843 N VAL A 57 -2.829 -10.924 -7.687 1.00 0.00 N ATOM 844 CA VAL A 57 -1.390 -10.875 -7.421 1.00 0.00 C ATOM 845 C VAL A 57 -0.982 -11.987 -6.446 1.00 0.00 C ATOM 846 O VAL A 57 -0.055 -12.751 -6.714 1.00 0.00 O ATOM 847 CB VAL A 57 -1.003 -9.484 -6.884 1.00 0.00 C ATOM 848 CG1 VAL A 57 0.444 -9.459 -6.366 1.00 0.00 C ATOM 849 CG2 VAL A 57 -1.129 -8.431 -7.993 1.00 0.00 C ATOM 0 H VAL A 57 -3.291 -10.019 -7.600 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.849 -11.043 -8.353 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.683 -9.260 -6.062 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.681 -8.462 -5.995 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.554 -10.182 -5.558 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.125 -9.716 -7.177 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.852 -7.453 -7.599 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.466 -8.691 -8.818 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.158 -8.400 -8.350 1.00 0.00 H new ATOM 859 N CYS A 58 -1.724 -12.133 -5.344 1.00 0.00 N ATOM 860 CA CYS A 58 -1.500 -13.165 -4.334 1.00 0.00 C ATOM 861 C CYS A 58 -1.903 -14.571 -4.823 1.00 0.00 C ATOM 862 O CYS A 58 -2.020 -15.510 -4.036 1.00 0.00 O ATOM 863 CB CYS A 58 -2.261 -12.782 -3.065 1.00 0.00 C ATOM 864 SG CYS A 58 -1.883 -13.778 -1.611 1.00 0.00 S ATOM 0 H CYS A 58 -2.512 -11.523 -5.127 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.431 -13.218 -4.126 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.049 -11.738 -2.835 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.330 -12.853 -3.266 1.00 0.00 H new ATOM 869 N SER A 59 -2.107 -14.730 -6.132 1.00 0.00 N ATOM 870 CA SER A 59 -2.285 -15.991 -6.824 1.00 0.00 C ATOM 871 C SER A 59 -1.471 -15.964 -8.129 1.00 0.00 C ATOM 872 O SER A 59 -1.864 -16.573 -9.123 1.00 0.00 O ATOM 873 CB SER A 59 -3.786 -16.203 -7.069 1.00 0.00 C ATOM 874 OG SER A 59 -4.078 -17.569 -7.290 1.00 0.00 O ATOM 0 H SER A 59 -2.154 -13.932 -6.766 1.00 0.00 H new ATOM 0 HA SER A 59 -1.921 -16.830 -6.231 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.352 -15.841 -6.211 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.103 -15.616 -7.931 1.00 0.00 H new ATOM 0 HG SER A 59 -3.510 -17.913 -8.011 1.00 0.00 H new ATOM 880 N GLN A 60 -0.343 -15.241 -8.149 1.00 0.00 N ATOM 881 CA GLN A 60 0.637 -15.290 -9.231 1.00 0.00 C ATOM 882 C GLN A 60 1.977 -15.805 -8.695 1.00 0.00 C ATOM 883 O GLN A 60 2.044 -16.906 -8.148 1.00 0.00 O ATOM 884 CB GLN A 60 0.743 -13.929 -9.947 1.00 0.00 C ATOM 885 CG GLN A 60 -0.547 -13.516 -10.667 1.00 0.00 C ATOM 886 CD GLN A 60 -0.854 -14.376 -11.889 1.00 0.00 C ATOM 887 OE1 GLN A 60 -0.489 -14.022 -13.005 1.00 0.00 O ATOM 888 NE2 GLN A 60 -1.528 -15.507 -11.704 1.00 0.00 N ATOM 0 H GLN A 60 -0.086 -14.597 -7.400 1.00 0.00 H new ATOM 0 HA GLN A 60 0.306 -15.996 -9.993 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.004 -13.163 -9.217 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.557 -13.970 -10.671 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.381 -13.578 -9.968 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.466 -12.474 -10.975 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.820 -15.779 -10.765 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.753 -16.103 -12.501 1.00 0.00 H new ATOM 897 N LYS A 61 3.061 -15.043 -8.858 1.00 0.00 N ATOM 898 CA LYS A 61 4.394 -15.570 -8.630 1.00 0.00 C ATOM 899 C LYS A 61 4.754 -15.480 -7.155 1.00 0.00 C ATOM 900 O LYS A 61 5.394 -14.527 -6.706 1.00 0.00 O ATOM 901 CB LYS A 61 5.359 -14.802 -9.529 1.00 0.00 C ATOM 902 CG LYS A 61 6.823 -15.259 -9.508 1.00 0.00 C ATOM 903 CD LYS A 61 6.971 -16.765 -9.778 1.00 0.00 C ATOM 904 CE LYS A 61 8.433 -17.188 -9.967 1.00 0.00 C ATOM 905 NZ LYS A 61 9.026 -16.616 -11.189 1.00 0.00 N ATOM 0 H LYS A 61 3.035 -14.065 -9.146 1.00 0.00 H new ATOM 0 HA LYS A 61 4.451 -16.628 -8.886 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.996 -14.868 -10.555 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.326 -13.750 -9.246 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.386 -14.701 -10.257 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.261 -15.022 -8.538 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.539 -17.324 -8.948 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.402 -17.028 -10.670 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.015 -16.873 -9.101 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.492 -18.276 -10.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.935 -17.083 -11.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.380 -16.765 -11.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 9.182 -15.597 -11.055 1.00 0.00 H new ATOM 919 N LYS A 62 4.382 -16.537 -6.437 1.00 0.00 N ATOM 920 CA LYS A 62 4.796 -16.789 -5.068 1.00 0.00 C ATOM 921 C LYS A 62 6.305 -17.022 -5.032 1.00 0.00 C ATOM 922 O LYS A 62 6.800 -17.970 -5.640 1.00 0.00 O ATOM 923 CB LYS A 62 4.057 -18.007 -4.498 1.00 0.00 C ATOM 924 CG LYS A 62 4.214 -18.057 -2.969 1.00 0.00 C ATOM 925 CD LYS A 62 3.405 -19.192 -2.324 1.00 0.00 C ATOM 926 CE LYS A 62 4.207 -20.492 -2.168 1.00 0.00 C ATOM 927 NZ LYS A 62 4.641 -21.048 -3.461 1.00 0.00 N ATOM 0 H LYS A 62 3.766 -17.261 -6.807 1.00 0.00 H new ATOM 0 HA LYS A 62 4.548 -15.923 -4.454 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.000 -17.956 -4.761 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.452 -18.921 -4.941 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.268 -18.182 -2.721 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.897 -17.104 -2.545 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.055 -18.869 -1.344 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.520 -19.389 -2.930 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.082 -20.302 -1.546 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.598 -21.230 -1.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.932 -22.038 -3.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.854 -21.003 -4.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.444 -20.496 -3.825 1.00 0.00 H new ATOM 941 N VAL A 63 7.020 -16.174 -4.298 1.00 0.00 N ATOM 942 CA VAL A 63 8.426 -16.313 -3.975 1.00 0.00 C ATOM 943 C VAL A 63 8.626 -15.934 -2.500 1.00 0.00 C ATOM 944 O VAL A 63 7.668 -15.892 -1.726 1.00 0.00 O ATOM 945 CB VAL A 63 9.294 -15.490 -4.957 1.00 0.00 C ATOM 946 CG1 VAL A 63 9.193 -16.046 -6.379 1.00 0.00 C ATOM 947 CG2 VAL A 63 8.934 -13.998 -4.973 1.00 0.00 C ATOM 0 H VAL A 63 6.609 -15.332 -3.895 1.00 0.00 H new ATOM 0 HA VAL A 63 8.755 -17.345 -4.096 1.00 0.00 H new ATOM 0 HB VAL A 63 10.318 -15.581 -4.594 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.813 -15.449 -7.048 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.538 -17.080 -6.391 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.156 -16.006 -6.713 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.578 -13.476 -5.681 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.893 -13.878 -5.273 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.075 -13.579 -3.977 1.00 0.00 H new ATOM 957 N THR A 64 9.867 -15.645 -2.110 1.00 0.00 N ATOM 958 CA THR A 64 10.228 -15.061 -0.831 1.00 0.00 C ATOM 959 C THR A 64 10.854 -13.708 -1.157 1.00 0.00 C ATOM 960 O THR A 64 11.607 -13.605 -2.124 1.00 0.00 O ATOM 961 CB THR A 64 11.208 -15.992 -0.114 1.00 0.00 C ATOM 962 OG1 THR A 64 10.513 -17.162 0.269 1.00 0.00 O ATOM 963 CG2 THR A 64 11.833 -15.340 1.121 1.00 0.00 C ATOM 0 H THR A 64 10.677 -15.821 -2.705 1.00 0.00 H new ATOM 0 HA THR A 64 9.375 -14.929 -0.165 1.00 0.00 H new ATOM 0 HB THR A 64 12.022 -16.225 -0.800 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.127 -17.772 0.729 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.520 -16.041 1.594 1.00 0.00 H new ATOM 0 HG22 THR A 64 12.377 -14.444 0.823 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.047 -15.070 1.827 1.00 0.00 H new ATOM 971 N CYS A 65 10.527 -12.665 -0.391 1.00 0.00 N ATOM 972 CA CYS A 65 11.061 -11.341 -0.642 1.00 0.00 C ATOM 973 C CYS A 65 12.561 -11.354 -0.388 1.00 0.00 C ATOM 974 O CYS A 65 13.027 -12.010 0.544 1.00 0.00 O ATOM 975 CB CYS A 65 10.463 -10.313 0.306 1.00 0.00 C ATOM 976 SG CYS A 65 8.723 -9.879 0.168 1.00 0.00 S ATOM 0 H CYS A 65 9.894 -12.720 0.407 1.00 0.00 H new ATOM 0 HA CYS A 65 10.821 -11.078 -1.672 1.00 0.00 H new ATOM 0 HB2 CYS A 65 10.630 -10.671 1.322 1.00 0.00 H new ATOM 0 HB3 CYS A 65 11.038 -9.394 0.194 1.00 0.00 H new ATOM 981 N LYS A 66 13.280 -10.559 -1.179 1.00 0.00 N ATOM 982 CA LYS A 66 14.735 -10.509 -1.231 1.00 0.00 C ATOM 983 C LYS A 66 15.382 -10.456 0.155 1.00 0.00 C ATOM 984 O LYS A 66 16.414 -11.081 0.379 1.00 0.00 O ATOM 985 CB LYS A 66 15.186 -9.359 -2.146 1.00 0.00 C ATOM 986 CG LYS A 66 14.700 -7.971 -1.696 1.00 0.00 C ATOM 987 CD LYS A 66 15.107 -6.917 -2.735 1.00 0.00 C ATOM 988 CE LYS A 66 14.563 -5.525 -2.386 1.00 0.00 C ATOM 989 NZ LYS A 66 15.119 -5.013 -1.121 1.00 0.00 N ATOM 0 H LYS A 66 12.843 -9.905 -1.828 1.00 0.00 H new ATOM 0 HA LYS A 66 15.088 -11.445 -1.664 1.00 0.00 H new ATOM 0 HB2 LYS A 66 16.275 -9.353 -2.194 1.00 0.00 H new ATOM 0 HB3 LYS A 66 14.823 -9.549 -3.156 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.617 -7.976 -1.575 1.00 0.00 H new ATOM 0 HG3 LYS A 66 15.128 -7.722 -0.725 1.00 0.00 H new ATOM 0 HD2 LYS A 66 16.194 -6.875 -2.802 1.00 0.00 H new ATOM 0 HD3 LYS A 66 14.738 -7.215 -3.717 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.800 -4.831 -3.193 1.00 0.00 H new ATOM 0 HE3 LYS A 66 13.476 -5.569 -2.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 14.777 -4.044 -0.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 14.815 -5.624 -0.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 16.158 -5.009 -1.175 1.00 0.00 H new ATOM 1003 N ASP A 67 14.759 -9.728 1.085 1.00 0.00 N ATOM 1004 CA ASP A 67 15.119 -9.770 2.492 1.00 0.00 C ATOM 1005 C ASP A 67 13.877 -9.619 3.365 1.00 0.00 C ATOM 1006 O ASP A 67 13.815 -8.757 4.238 1.00 0.00 O ATOM 1007 CB ASP A 67 16.251 -8.779 2.798 1.00 0.00 C ATOM 1008 CG ASP A 67 17.347 -9.403 3.654 1.00 0.00 C ATOM 1009 OD1 ASP A 67 16.990 -9.982 4.704 1.00 0.00 O ATOM 1010 OD2 ASP A 67 18.525 -9.283 3.252 1.00 0.00 O ATOM 0 H ASP A 67 13.989 -9.093 0.876 1.00 0.00 H new ATOM 0 HA ASP A 67 15.530 -10.748 2.741 1.00 0.00 H new ATOM 0 HB2 ASP A 67 16.682 -8.422 1.863 1.00 0.00 H new ATOM 0 HB3 ASP A 67 15.841 -7.910 3.312 1.00 0.00 H new ATOM 1015 N GLY A 68 12.879 -10.471 3.110 1.00 0.00 N ATOM 1016 CA GLY A 68 11.724 -10.599 3.990 1.00 0.00 C ATOM 1017 C GLY A 68 11.817 -11.914 4.753 1.00 0.00 C ATOM 1018 O GLY A 68 12.604 -12.031 5.688 1.00 0.00 O ATOM 0 H GLY A 68 12.853 -11.084 2.295 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.689 -9.762 4.687 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.803 -10.567 3.408 1.00 0.00 H new ATOM 1022 N GLN A 69 11.003 -12.901 4.362 1.00 0.00 N ATOM 1023 CA GLN A 69 10.901 -14.165 5.075 1.00 0.00 C ATOM 1024 C GLN A 69 10.271 -15.271 4.233 1.00 0.00 C ATOM 1025 O GLN A 69 10.874 -16.330 4.079 1.00 0.00 O ATOM 1026 CB GLN A 69 10.094 -13.957 6.358 1.00 0.00 C ATOM 1027 CG GLN A 69 10.003 -15.212 7.243 1.00 0.00 C ATOM 1028 CD GLN A 69 11.360 -15.815 7.604 1.00 0.00 C ATOM 1029 OE1 GLN A 69 11.881 -15.576 8.686 1.00 0.00 O ATOM 1030 NE2 GLN A 69 11.937 -16.623 6.715 1.00 0.00 N ATOM 0 H GLN A 69 10.400 -12.839 3.542 1.00 0.00 H new ATOM 0 HA GLN A 69 11.914 -14.491 5.312 1.00 0.00 H new ATOM 0 HB2 GLN A 69 10.546 -13.149 6.934 1.00 0.00 H new ATOM 0 HB3 GLN A 69 9.086 -13.635 6.095 1.00 0.00 H new ATOM 0 HG2 GLN A 69 9.473 -14.959 8.161 1.00 0.00 H new ATOM 0 HG3 GLN A 69 9.407 -15.965 6.728 1.00 0.00 H new ATOM 0 HE21 GLN A 69 11.482 -16.805 5.821 1.00 0.00 H new ATOM 0 HE22 GLN A 69 12.834 -17.059 6.929 1.00 0.00 H new ATOM 1039 N THR A 70 9.042 -15.055 3.753 1.00 0.00 N ATOM 1040 CA THR A 70 8.294 -16.027 2.966 1.00 0.00 C ATOM 1041 C THR A 70 7.064 -15.365 2.345 1.00 0.00 C ATOM 1042 O THR A 70 6.838 -14.169 2.518 1.00 0.00 O ATOM 1043 CB THR A 70 7.900 -17.245 3.824 1.00 0.00 C ATOM 1044 OG1 THR A 70 7.363 -18.267 3.005 1.00 0.00 O ATOM 1045 CG2 THR A 70 6.909 -16.892 4.941 1.00 0.00 C ATOM 0 H THR A 70 8.535 -14.183 3.906 1.00 0.00 H new ATOM 0 HA THR A 70 8.932 -16.389 2.160 1.00 0.00 H new ATOM 0 HB THR A 70 8.811 -17.598 4.306 1.00 0.00 H new ATOM 0 HG1 THR A 70 6.384 -18.238 3.045 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.669 -17.789 5.511 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.356 -16.150 5.603 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.997 -16.485 4.503 1.00 0.00 H new ATOM 1053 N ASN A 71 6.271 -16.195 1.665 1.00 0.00 N ATOM 1054 CA ASN A 71 4.967 -15.947 1.074 1.00 0.00 C ATOM 1055 C ASN A 71 4.885 -14.639 0.292 1.00 0.00 C ATOM 1056 O ASN A 71 3.828 -14.009 0.289 1.00 0.00 O ATOM 1057 CB ASN A 71 3.855 -15.962 2.139 1.00 0.00 C ATOM 1058 CG ASN A 71 3.664 -17.266 2.900 1.00 0.00 C ATOM 1059 OD1 ASN A 71 4.375 -18.246 2.703 1.00 0.00 O ATOM 1060 ND2 ASN A 71 2.674 -17.274 3.787 1.00 0.00 N ATOM 0 H ASN A 71 6.564 -17.158 1.501 1.00 0.00 H new ATOM 0 HA ASN A 71 4.820 -16.763 0.367 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.063 -15.172 2.861 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.913 -15.709 1.653 1.00 0.00 H new ATOM 0 HD21 ASN A 71 2.484 -18.115 4.332 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.104 -16.439 3.923 1.00 0.00 H new ATOM 1067 N CYS A 72 5.959 -14.211 -0.371 1.00 0.00 N ATOM 1068 CA CYS A 72 5.931 -12.944 -1.079 1.00 0.00 C ATOM 1069 C CYS A 72 5.575 -13.185 -2.522 1.00 0.00 C ATOM 1070 O CYS A 72 6.362 -13.731 -3.282 1.00 0.00 O ATOM 1071 CB CYS A 72 7.237 -12.191 -1.001 1.00 0.00 C ATOM 1072 SG CYS A 72 7.642 -11.576 0.641 1.00 0.00 S ATOM 0 H CYS A 72 6.843 -14.717 -0.429 1.00 0.00 H new ATOM 0 HA CYS A 72 5.178 -12.324 -0.592 1.00 0.00 H new ATOM 0 HB2 CYS A 72 8.041 -12.845 -1.339 1.00 0.00 H new ATOM 0 HB3 CYS A 72 7.199 -11.349 -1.692 1.00 0.00 H new ATOM 1077 N TYR A 73 4.394 -12.734 -2.902 1.00 0.00 N ATOM 1078 CA TYR A 73 3.910 -12.827 -4.257 1.00 0.00 C ATOM 1079 C TYR A 73 4.285 -11.553 -4.998 1.00 0.00 C ATOM 1080 O TYR A 73 3.862 -10.461 -4.605 1.00 0.00 O ATOM 1081 CB TYR A 73 2.394 -13.008 -4.262 1.00 0.00 C ATOM 1082 CG TYR A 73 1.938 -14.436 -4.056 1.00 0.00 C ATOM 1083 CD1 TYR A 73 1.814 -14.964 -2.760 1.00 0.00 C ATOM 1084 CD2 TYR A 73 1.518 -15.194 -5.162 1.00 0.00 C ATOM 1085 CE1 TYR A 73 1.147 -16.185 -2.563 1.00 0.00 C ATOM 1086 CE2 TYR A 73 0.891 -16.435 -4.970 1.00 0.00 C ATOM 1087 CZ TYR A 73 0.666 -16.909 -3.668 1.00 0.00 C ATOM 1088 OH TYR A 73 -0.007 -18.076 -3.476 1.00 0.00 O ATOM 0 H TYR A 73 3.737 -12.286 -2.263 1.00 0.00 H new ATOM 0 HA TYR A 73 4.361 -13.688 -4.750 1.00 0.00 H new ATOM 0 HB2 TYR A 73 1.963 -12.384 -3.479 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.999 -12.646 -5.211 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.230 -14.433 -1.917 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.678 -14.821 -6.163 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.004 -16.567 -1.563 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.583 -17.023 -5.821 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.671 -17.958 -2.765 1.00 0.00 H new ATOM 1098 N GLN A 74 5.094 -11.690 -6.050 1.00 0.00 N ATOM 1099 CA GLN A 74 5.308 -10.613 -6.991 1.00 0.00 C ATOM 1100 C GLN A 74 4.118 -10.483 -7.937 1.00 0.00 C ATOM 1101 O GLN A 74 3.515 -11.472 -8.353 1.00 0.00 O ATOM 1102 CB GLN A 74 6.624 -10.814 -7.750 1.00 0.00 C ATOM 1103 CG GLN A 74 6.676 -9.996 -9.046 1.00 0.00 C ATOM 1104 CD GLN A 74 8.029 -9.928 -9.735 1.00 0.00 C ATOM 1105 OE1 GLN A 74 9.015 -10.501 -9.285 1.00 0.00 O ATOM 1106 NE2 GLN A 74 8.067 -9.207 -10.853 1.00 0.00 N ATOM 0 H GLN A 74 5.609 -12.544 -6.264 1.00 0.00 H new ATOM 0 HA GLN A 74 5.390 -9.676 -6.440 1.00 0.00 H new ATOM 0 HB2 GLN A 74 7.458 -10.529 -7.109 1.00 0.00 H new ATOM 0 HB3 GLN A 74 6.748 -11.871 -7.984 1.00 0.00 H new ATOM 0 HG2 GLN A 74 5.954 -10.415 -9.747 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.351 -8.979 -8.824 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.222 -8.747 -11.192 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.941 -9.115 -11.371 1.00 0.00 H new ATOM 1115 N SER A 75 3.855 -9.239 -8.331 1.00 0.00 N ATOM 1116 CA SER A 75 2.973 -8.943 -9.450 1.00 0.00 C ATOM 1117 C SER A 75 3.744 -9.189 -10.743 1.00 0.00 C ATOM 1118 O SER A 75 4.823 -8.628 -10.937 1.00 0.00 O ATOM 1119 CB SER A 75 2.471 -7.501 -9.397 1.00 0.00 C ATOM 1120 OG SER A 75 1.359 -7.366 -10.257 1.00 0.00 O ATOM 0 H SER A 75 4.248 -8.411 -7.882 1.00 0.00 H new ATOM 0 HA SER A 75 2.098 -9.591 -9.401 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.191 -7.238 -8.377 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.264 -6.816 -9.697 1.00 0.00 H new ATOM 0 HG SER A 75 1.595 -6.782 -11.008 1.00 0.00 H new ATOM 1126 N LYS A 76 3.201 -10.023 -11.632 1.00 0.00 N ATOM 1127 CA LYS A 76 3.731 -10.161 -12.980 1.00 0.00 C ATOM 1128 C LYS A 76 3.677 -8.809 -13.683 1.00 0.00 C ATOM 1129 O LYS A 76 4.616 -8.427 -14.384 1.00 0.00 O ATOM 1130 CB LYS A 76 2.934 -11.240 -13.728 1.00 0.00 C ATOM 1131 CG LYS A 76 3.512 -11.531 -15.119 1.00 0.00 C ATOM 1132 CD LYS A 76 2.651 -12.583 -15.831 1.00 0.00 C ATOM 1133 CE LYS A 76 3.220 -12.956 -17.205 1.00 0.00 C ATOM 1134 NZ LYS A 76 3.240 -11.808 -18.129 1.00 0.00 N ATOM 0 H LYS A 76 2.392 -10.613 -11.437 1.00 0.00 H new ATOM 0 HA LYS A 76 4.774 -10.478 -12.955 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.929 -12.158 -13.140 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.897 -10.919 -13.828 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.544 -10.615 -15.708 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.538 -11.888 -15.029 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.585 -13.477 -15.211 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.637 -12.202 -15.950 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.233 -13.341 -17.085 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.623 -13.759 -17.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.519 -12.131 -19.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.292 -11.382 -18.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.922 -11.101 -17.789 1.00 0.00 H new ATOM 1148 N SER A 77 2.574 -8.088 -13.493 1.00 0.00 N ATOM 1149 CA SER A 77 2.334 -6.817 -14.122 1.00 0.00 C ATOM 1150 C SER A 77 2.805 -5.688 -13.216 1.00 0.00 C ATOM 1151 O SER A 77 2.643 -5.731 -11.998 1.00 0.00 O ATOM 1152 CB SER A 77 0.833 -6.688 -14.399 1.00 0.00 C ATOM 1153 OG SER A 77 0.106 -7.413 -13.418 1.00 0.00 O ATOM 0 H SER A 77 1.814 -8.388 -12.882 1.00 0.00 H new ATOM 0 HA SER A 77 2.888 -6.753 -15.059 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.538 -5.639 -14.383 1.00 0.00 H new ATOM 0 HB3 SER A 77 0.602 -7.069 -15.394 1.00 0.00 H new ATOM 0 HG SER A 77 -0.854 -7.329 -13.594 1.00 0.00 H new ATOM 1159 N THR A 78 3.373 -4.657 -13.826 1.00 0.00 N ATOM 1160 CA THR A 78 3.628 -3.398 -13.157 1.00 0.00 C ATOM 1161 C THR A 78 2.277 -2.697 -12.960 1.00 0.00 C ATOM 1162 O THR A 78 1.327 -2.969 -13.695 1.00 0.00 O ATOM 1163 CB THR A 78 4.556 -2.583 -14.071 1.00 0.00 C ATOM 1164 OG1 THR A 78 4.029 -2.588 -15.385 1.00 0.00 O ATOM 1165 CG2 THR A 78 5.954 -3.206 -14.156 1.00 0.00 C ATOM 0 H THR A 78 3.669 -4.675 -14.802 1.00 0.00 H new ATOM 0 HA THR A 78 4.102 -3.522 -12.183 1.00 0.00 H new ATOM 0 HB THR A 78 4.625 -1.578 -13.655 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.615 -2.068 -15.974 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.582 -2.602 -14.811 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.397 -3.243 -13.161 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.878 -4.217 -14.557 1.00 0.00 H new ATOM 1173 N MET A 79 2.177 -1.801 -11.975 1.00 0.00 N ATOM 1174 CA MET A 79 0.976 -1.021 -11.734 1.00 0.00 C ATOM 1175 C MET A 79 1.372 0.295 -11.068 1.00 0.00 C ATOM 1176 O MET A 79 2.472 0.402 -10.527 1.00 0.00 O ATOM 1177 CB MET A 79 -0.003 -1.842 -10.875 1.00 0.00 C ATOM 1178 CG MET A 79 -1.361 -1.159 -10.667 1.00 0.00 C ATOM 1179 SD MET A 79 -2.195 -0.642 -12.193 1.00 0.00 S ATOM 1180 CE MET A 79 -3.571 0.300 -11.510 1.00 0.00 C ATOM 0 H MET A 79 2.935 -1.600 -11.323 1.00 0.00 H new ATOM 0 HA MET A 79 0.467 -0.785 -12.669 1.00 0.00 H new ATOM 0 HB2 MET A 79 -0.162 -2.811 -11.347 1.00 0.00 H new ATOM 0 HB3 MET A 79 0.451 -2.032 -9.903 1.00 0.00 H new ATOM 0 HG2 MET A 79 -2.016 -1.841 -10.125 1.00 0.00 H new ATOM 0 HG3 MET A 79 -1.218 -0.284 -10.033 1.00 0.00 H new ATOM 0 HE1 MET A 79 -3.900 1.043 -12.237 1.00 0.00 H new ATOM 0 HE2 MET A 79 -4.396 -0.375 -11.282 1.00 0.00 H new ATOM 0 HE3 MET A 79 -3.250 0.802 -10.597 1.00 0.00 H new ATOM 1190 N ARG A 80 0.479 1.287 -11.128 1.00 0.00 N ATOM 1191 CA ARG A 80 0.570 2.535 -10.390 1.00 0.00 C ATOM 1192 C ARG A 80 0.549 2.278 -8.883 1.00 0.00 C ATOM 1193 O ARG A 80 -0.455 1.787 -8.357 1.00 0.00 O ATOM 1194 CB ARG A 80 -0.609 3.445 -10.770 1.00 0.00 C ATOM 1195 CG ARG A 80 -0.387 4.067 -12.151 1.00 0.00 C ATOM 1196 CD ARG A 80 -1.652 4.725 -12.709 1.00 0.00 C ATOM 1197 NE ARG A 80 -2.641 3.731 -13.150 1.00 0.00 N ATOM 1198 CZ ARG A 80 -2.576 3.044 -14.302 1.00 0.00 C ATOM 1199 NH1 ARG A 80 -1.511 3.144 -15.107 1.00 0.00 N ATOM 1200 NH2 ARG A 80 -3.596 2.255 -14.653 1.00 0.00 N ATOM 0 H ARG A 80 -0.354 1.234 -11.715 1.00 0.00 H new ATOM 0 HA ARG A 80 1.511 3.021 -10.647 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -1.535 2.869 -10.769 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -0.723 4.232 -10.025 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.407 4.811 -12.087 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.047 3.296 -12.843 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -2.096 5.364 -11.945 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -1.386 5.369 -13.548 1.00 0.00 H new ATOM 0 HE ARG A 80 -3.435 3.550 -12.536 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.732 3.749 -14.849 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -1.479 2.615 -15.978 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -4.414 2.179 -14.048 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.557 1.729 -15.526 1.00 0.00 H new ATOM 1214 N ILE A 81 1.630 2.648 -8.194 1.00 0.00 N ATOM 1215 CA ILE A 81 1.686 2.743 -6.755 1.00 0.00 C ATOM 1216 C ILE A 81 1.976 4.195 -6.402 1.00 0.00 C ATOM 1217 O ILE A 81 2.787 4.854 -7.054 1.00 0.00 O ATOM 1218 CB ILE A 81 2.749 1.818 -6.148 1.00 0.00 C ATOM 1219 CG1 ILE A 81 4.169 1.864 -6.743 1.00 0.00 C ATOM 1220 CG2 ILE A 81 2.206 0.398 -6.029 1.00 0.00 C ATOM 1221 CD1 ILE A 81 4.403 1.086 -8.041 1.00 0.00 C ATOM 0 H ILE A 81 2.511 2.895 -8.646 1.00 0.00 H new ATOM 0 HA ILE A 81 0.732 2.421 -6.338 1.00 0.00 H new ATOM 0 HB ILE A 81 2.928 2.238 -5.158 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.428 2.908 -6.922 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.864 1.487 -5.992 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.970 -0.249 -5.597 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.325 0.398 -5.387 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.935 0.028 -7.018 1.00 0.00 H new ATOM 0 HD11 ILE A 81 5.441 1.201 -8.352 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.188 0.030 -7.876 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.746 1.472 -8.820 1.00 0.00 H new ATOM 1233 N THR A 82 1.305 4.677 -5.359 1.00 0.00 N ATOM 1234 CA THR A 82 1.583 5.949 -4.733 1.00 0.00 C ATOM 1235 C THR A 82 2.335 5.658 -3.437 1.00 0.00 C ATOM 1236 O THR A 82 1.725 5.448 -2.389 1.00 0.00 O ATOM 1237 CB THR A 82 0.261 6.699 -4.547 1.00 0.00 C ATOM 1238 OG1 THR A 82 -0.319 6.908 -5.821 1.00 0.00 O ATOM 1239 CG2 THR A 82 0.490 8.059 -3.900 1.00 0.00 C ATOM 0 H THR A 82 0.534 4.173 -4.921 1.00 0.00 H new ATOM 0 HA THR A 82 2.215 6.601 -5.336 1.00 0.00 H new ATOM 0 HB THR A 82 -0.389 6.106 -3.904 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.129 6.363 -5.905 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.465 8.570 -3.780 1.00 0.00 H new ATOM 0 HG22 THR A 82 0.955 7.924 -2.923 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.145 8.658 -4.533 1.00 0.00 H new ATOM 1247 N ASP A 83 3.669 5.618 -3.531 1.00 0.00 N ATOM 1248 CA ASP A 83 4.556 5.490 -2.392 1.00 0.00 C ATOM 1249 C ASP A 83 4.560 6.822 -1.657 1.00 0.00 C ATOM 1250 O ASP A 83 5.243 7.758 -2.076 1.00 0.00 O ATOM 1251 CB ASP A 83 5.959 5.052 -2.836 1.00 0.00 C ATOM 1252 CG ASP A 83 5.986 3.602 -3.301 1.00 0.00 C ATOM 1253 OD1 ASP A 83 6.126 2.721 -2.423 1.00 0.00 O ATOM 1254 OD2 ASP A 83 5.859 3.394 -4.528 1.00 0.00 O ATOM 0 H ASP A 83 4.162 5.676 -4.422 1.00 0.00 H new ATOM 0 HA ASP A 83 4.207 4.712 -1.713 1.00 0.00 H new ATOM 0 HB2 ASP A 83 6.301 5.698 -3.645 1.00 0.00 H new ATOM 0 HB3 ASP A 83 6.657 5.180 -2.009 1.00 0.00 H new ATOM 1259 N CYS A 84 3.751 6.926 -0.601 1.00 0.00 N ATOM 1260 CA CYS A 84 3.547 8.168 0.119 1.00 0.00 C ATOM 1261 C CYS A 84 4.368 8.200 1.409 1.00 0.00 C ATOM 1262 O CYS A 84 4.506 7.166 2.062 1.00 0.00 O ATOM 1263 CB CYS A 84 2.052 8.379 0.364 1.00 0.00 C ATOM 1264 SG CYS A 84 1.661 10.119 0.525 1.00 0.00 S ATOM 0 H CYS A 84 3.219 6.141 -0.225 1.00 0.00 H new ATOM 0 HA CYS A 84 3.905 9.001 -0.486 1.00 0.00 H new ATOM 0 HB2 CYS A 84 1.482 7.950 -0.460 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.751 7.851 1.269 1.00 0.00 H new ATOM 1269 N ARG A 85 4.956 9.346 1.778 1.00 0.00 N ATOM 1270 CA ARG A 85 5.797 9.451 2.964 1.00 0.00 C ATOM 1271 C ARG A 85 5.697 10.859 3.524 1.00 0.00 C ATOM 1272 O ARG A 85 5.628 11.801 2.749 1.00 0.00 O ATOM 1273 CB ARG A 85 7.255 9.152 2.593 1.00 0.00 C ATOM 1274 CG ARG A 85 8.070 8.754 3.827 1.00 0.00 C ATOM 1275 CD ARG A 85 9.550 8.566 3.481 1.00 0.00 C ATOM 1276 NE ARG A 85 10.277 7.916 4.579 1.00 0.00 N ATOM 1277 CZ ARG A 85 10.612 8.487 5.745 1.00 0.00 C ATOM 1278 NH1 ARG A 85 10.282 9.757 6.009 1.00 0.00 N ATOM 1279 NH2 ARG A 85 11.287 7.770 6.650 1.00 0.00 N ATOM 0 H ARG A 85 4.859 10.220 1.261 1.00 0.00 H new ATOM 0 HA ARG A 85 5.462 8.732 3.712 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.288 8.348 1.857 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.702 10.030 2.127 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.969 9.521 4.595 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.672 7.829 4.245 1.00 0.00 H new ATOM 0 HD2 ARG A 85 9.640 7.965 2.576 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.001 9.535 3.267 1.00 0.00 H new ATOM 0 HE ARG A 85 10.552 6.943 4.442 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.768 10.305 5.318 1.00 0.00 H new ATOM 0 HH12 ARG A 85 10.544 10.177 6.901 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.540 6.803 6.449 1.00 0.00 H new ATOM 0 HH22 ARG A 85 11.549 8.191 7.542 1.00 0.00 H new ATOM 1293 N GLU A 86 5.712 11.043 4.843 1.00 0.00 N ATOM 1294 CA GLU A 86 5.749 12.393 5.381 1.00 0.00 C ATOM 1295 C GLU A 86 7.106 13.036 5.044 1.00 0.00 C ATOM 1296 O GLU A 86 8.143 12.558 5.506 1.00 0.00 O ATOM 1297 CB GLU A 86 5.388 12.383 6.875 1.00 0.00 C ATOM 1298 CG GLU A 86 6.459 11.819 7.817 1.00 0.00 C ATOM 1299 CD GLU A 86 5.956 11.705 9.254 1.00 0.00 C ATOM 1300 OE1 GLU A 86 5.027 12.469 9.594 1.00 0.00 O ATOM 1301 OE2 GLU A 86 6.528 10.878 9.994 1.00 0.00 O ATOM 0 H GLU A 86 5.699 10.296 5.538 1.00 0.00 H new ATOM 0 HA GLU A 86 4.992 13.023 4.914 1.00 0.00 H new ATOM 0 HB2 GLU A 86 5.163 13.404 7.182 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.475 11.802 7.005 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.771 10.836 7.463 1.00 0.00 H new ATOM 0 HG3 GLU A 86 7.339 12.462 7.791 1.00 0.00 H new ATOM 1308 N THR A 87 7.136 14.084 4.209 1.00 0.00 N ATOM 1309 CA THR A 87 8.361 14.829 3.968 1.00 0.00 C ATOM 1310 C THR A 87 8.935 15.376 5.283 1.00 0.00 C ATOM 1311 O THR A 87 8.194 15.638 6.240 1.00 0.00 O ATOM 1312 CB THR A 87 8.106 15.975 2.977 1.00 0.00 C ATOM 1313 OG1 THR A 87 7.079 15.645 2.067 1.00 0.00 O ATOM 1314 CG2 THR A 87 9.344 16.296 2.142 1.00 0.00 C ATOM 0 H THR A 87 6.325 14.427 3.695 1.00 0.00 H new ATOM 0 HA THR A 87 9.093 14.149 3.533 1.00 0.00 H new ATOM 0 HB THR A 87 7.828 16.834 3.587 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.207 15.785 2.493 1.00 0.00 H new ATOM 0 HG21 THR A 87 9.118 17.112 1.455 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.161 16.592 2.801 1.00 0.00 H new ATOM 0 HG23 THR A 87 9.638 15.414 1.573 1.00 0.00 H new ATOM 1322 N GLY A 88 10.259 15.558 5.297 1.00 0.00 N ATOM 1323 CA GLY A 88 11.054 16.009 6.433 1.00 0.00 C ATOM 1324 C GLY A 88 10.767 17.475 6.741 1.00 0.00 C ATOM 1325 O GLY A 88 11.576 18.356 6.457 1.00 0.00 O ATOM 0 H GLY A 88 10.831 15.384 4.470 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.829 15.397 7.307 1.00 0.00 H new ATOM 0 HA3 GLY A 88 12.114 15.878 6.217 1.00 0.00 H new ATOM 1329 N SER A 89 9.591 17.710 7.307 1.00 0.00 N ATOM 1330 CA SER A 89 8.980 19.016 7.503 1.00 0.00 C ATOM 1331 C SER A 89 7.625 18.832 8.188 1.00 0.00 C ATOM 1332 O SER A 89 7.236 19.646 9.020 1.00 0.00 O ATOM 1333 CB SER A 89 8.811 19.726 6.153 1.00 0.00 C ATOM 1334 OG SER A 89 8.237 18.851 5.195 1.00 0.00 O ATOM 0 H SER A 89 9.007 16.953 7.661 1.00 0.00 H new ATOM 0 HA SER A 89 9.621 19.633 8.133 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.178 20.605 6.275 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.780 20.078 5.798 1.00 0.00 H new ATOM 0 HG SER A 89 8.136 19.322 4.341 1.00 0.00 H new ATOM 1340 N SER A 90 6.920 17.755 7.831 1.00 0.00 N ATOM 1341 CA SER A 90 5.638 17.364 8.357 1.00 0.00 C ATOM 1342 C SER A 90 5.538 17.463 9.879 1.00 0.00 C ATOM 1343 O SER A 90 6.197 16.698 10.582 1.00 0.00 O ATOM 1344 CB SER A 90 5.435 15.918 7.918 1.00 0.00 C ATOM 1345 OG SER A 90 5.411 15.859 6.506 1.00 0.00 O ATOM 0 H SER A 90 7.262 17.104 7.124 1.00 0.00 H new ATOM 0 HA SER A 90 4.873 18.041 7.978 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.238 15.292 8.306 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.502 15.529 8.326 1.00 0.00 H new ATOM 0 HG SER A 90 6.320 15.713 6.169 1.00 0.00 H new ATOM 1351 N LYS A 91 4.677 18.355 10.376 1.00 0.00 N ATOM 1352 CA LYS A 91 4.347 18.490 11.788 1.00 0.00 C ATOM 1353 C LYS A 91 2.864 18.853 11.880 1.00 0.00 C ATOM 1354 O LYS A 91 2.456 19.882 11.346 1.00 0.00 O ATOM 1355 CB LYS A 91 5.210 19.586 12.433 1.00 0.00 C ATOM 1356 CG LYS A 91 6.712 19.272 12.515 1.00 0.00 C ATOM 1357 CD LYS A 91 7.031 18.088 13.441 1.00 0.00 C ATOM 1358 CE LYS A 91 8.537 17.805 13.492 1.00 0.00 C ATOM 1359 NZ LYS A 91 9.284 18.885 14.161 1.00 0.00 N ATOM 0 H LYS A 91 4.178 19.020 9.785 1.00 0.00 H new ATOM 0 HA LYS A 91 4.544 17.559 12.320 1.00 0.00 H new ATOM 0 HB2 LYS A 91 5.078 20.509 11.869 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.839 19.773 13.441 1.00 0.00 H new ATOM 0 HG2 LYS A 91 7.087 19.054 11.515 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.243 20.156 12.869 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.666 18.301 14.445 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.504 17.200 13.092 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.711 16.866 14.017 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.916 17.678 12.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.273 18.592 14.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.252 19.744 13.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.854 19.082 15.087 1.00 0.00 H new ATOM 1373 N TYR A 92 2.050 18.001 12.512 1.00 0.00 N ATOM 1374 CA TYR A 92 0.603 18.182 12.555 1.00 0.00 C ATOM 1375 C TYR A 92 0.230 19.561 13.117 1.00 0.00 C ATOM 1376 O TYR A 92 0.843 19.986 14.096 1.00 0.00 O ATOM 1377 CB TYR A 92 -0.050 17.039 13.347 1.00 0.00 C ATOM 1378 CG TYR A 92 -1.455 16.661 12.912 1.00 0.00 C ATOM 1379 CD1 TYR A 92 -1.716 16.296 11.577 1.00 0.00 C ATOM 1380 CD2 TYR A 92 -2.500 16.622 13.856 1.00 0.00 C ATOM 1381 CE1 TYR A 92 -2.982 15.812 11.211 1.00 0.00 C ATOM 1382 CE2 TYR A 92 -3.762 16.122 13.489 1.00 0.00 C ATOM 1383 CZ TYR A 92 -3.961 15.612 12.196 1.00 0.00 C ATOM 1384 OH TYR A 92 -5.031 14.808 11.934 1.00 0.00 O ATOM 0 H TYR A 92 2.378 17.171 13.005 1.00 0.00 H new ATOM 0 HA TYR A 92 0.216 18.146 11.537 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.585 16.157 13.269 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -0.078 17.319 14.400 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -0.939 16.389 10.832 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -2.332 16.976 14.862 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -3.201 15.595 10.176 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -4.576 16.130 14.199 1.00 0.00 H new ATOM 0 HH TYR A 92 -5.615 14.774 12.720 1.00 0.00 H new ATOM 1394 N PRO A 93 -0.742 20.285 12.534 1.00 0.00 N ATOM 1395 CA PRO A 93 -1.627 19.882 11.442 1.00 0.00 C ATOM 1396 C PRO A 93 -0.916 19.796 10.086 1.00 0.00 C ATOM 1397 O PRO A 93 -1.329 19.032 9.216 1.00 0.00 O ATOM 1398 CB PRO A 93 -2.734 20.941 11.413 1.00 0.00 C ATOM 1399 CG PRO A 93 -2.045 22.192 11.954 1.00 0.00 C ATOM 1400 CD PRO A 93 -1.086 21.619 12.997 1.00 0.00 C ATOM 0 HA PRO A 93 -2.010 18.876 11.615 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -3.114 21.097 10.403 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -3.583 20.651 12.032 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -1.515 22.734 11.171 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -2.757 22.888 12.397 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -0.196 22.241 13.092 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -1.555 21.582 13.980 1.00 0.00 H new ATOM 1408 N ASN A 94 0.161 20.561 9.901 1.00 0.00 N ATOM 1409 CA ASN A 94 0.883 20.664 8.641 1.00 0.00 C ATOM 1410 C ASN A 94 1.771 19.439 8.411 1.00 0.00 C ATOM 1411 O ASN A 94 2.996 19.553 8.372 1.00 0.00 O ATOM 1412 CB ASN A 94 1.711 21.958 8.627 1.00 0.00 C ATOM 1413 CG ASN A 94 0.830 23.196 8.741 1.00 0.00 C ATOM 1414 OD1 ASN A 94 0.637 23.729 9.828 1.00 0.00 O ATOM 1415 ND2 ASN A 94 0.279 23.664 7.624 1.00 0.00 N ATOM 0 H ASN A 94 0.561 21.137 10.642 1.00 0.00 H new ATOM 0 HA ASN A 94 0.162 20.697 7.824 1.00 0.00 H new ATOM 0 HB2 ASN A 94 2.424 21.942 9.452 1.00 0.00 H new ATOM 0 HB3 ASN A 94 2.291 22.008 7.705 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -0.322 24.487 7.658 1.00 0.00 H new ATOM 0 HD22 ASN A 94 0.458 23.199 6.734 1.00 0.00 H new ATOM 1422 N CYS A 95 1.163 18.263 8.230 1.00 0.00 N ATOM 1423 CA CYS A 95 1.878 17.082 7.757 1.00 0.00 C ATOM 1424 C CYS A 95 1.827 17.081 6.236 1.00 0.00 C ATOM 1425 O CYS A 95 0.748 17.125 5.647 1.00 0.00 O ATOM 1426 CB CYS A 95 1.358 15.792 8.378 1.00 0.00 C ATOM 1427 SG CYS A 95 1.760 15.707 10.137 1.00 0.00 S ATOM 0 H CYS A 95 0.171 18.107 8.406 1.00 0.00 H new ATOM 0 HA CYS A 95 2.918 17.128 8.079 1.00 0.00 H new ATOM 0 HB2 CYS A 95 0.278 15.731 8.246 1.00 0.00 H new ATOM 0 HB3 CYS A 95 1.791 14.936 7.861 1.00 0.00 H new ATOM 1432 N ALA A 96 3.008 17.081 5.621 1.00 0.00 N ATOM 1433 CA ALA A 96 3.224 17.334 4.206 1.00 0.00 C ATOM 1434 C ALA A 96 3.686 16.044 3.543 1.00 0.00 C ATOM 1435 O ALA A 96 4.862 15.684 3.610 1.00 0.00 O ATOM 1436 CB ALA A 96 4.269 18.445 4.058 1.00 0.00 C ATOM 0 H ALA A 96 3.877 16.896 6.122 1.00 0.00 H new ATOM 0 HA ALA A 96 2.304 17.660 3.721 1.00 0.00 H new ATOM 0 HB1 ALA A 96 4.440 18.645 3.000 1.00 0.00 H new ATOM 0 HB2 ALA A 96 3.908 19.351 4.545 1.00 0.00 H new ATOM 0 HB3 ALA A 96 5.203 18.130 4.524 1.00 0.00 H new ATOM 1442 N TYR A 97 2.762 15.324 2.916 1.00 0.00 N ATOM 1443 CA TYR A 97 3.053 14.000 2.407 1.00 0.00 C ATOM 1444 C TYR A 97 3.713 14.029 1.028 1.00 0.00 C ATOM 1445 O TYR A 97 3.080 14.347 0.021 1.00 0.00 O ATOM 1446 CB TYR A 97 1.783 13.150 2.452 1.00 0.00 C ATOM 1447 CG TYR A 97 1.580 12.470 3.794 1.00 0.00 C ATOM 1448 CD1 TYR A 97 0.881 13.125 4.824 1.00 0.00 C ATOM 1449 CD2 TYR A 97 2.275 11.278 4.072 1.00 0.00 C ATOM 1450 CE1 TYR A 97 0.861 12.579 6.119 1.00 0.00 C ATOM 1451 CE2 TYR A 97 2.297 10.761 5.378 1.00 0.00 C ATOM 1452 CZ TYR A 97 1.593 11.414 6.403 1.00 0.00 C ATOM 1453 OH TYR A 97 1.651 10.945 7.680 1.00 0.00 O ATOM 0 H TYR A 97 1.806 15.640 2.751 1.00 0.00 H new ATOM 0 HA TYR A 97 3.797 13.532 3.052 1.00 0.00 H new ATOM 0 HB2 TYR A 97 0.921 13.781 2.235 1.00 0.00 H new ATOM 0 HB3 TYR A 97 1.830 12.393 1.669 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.359 14.048 4.620 1.00 0.00 H new ATOM 0 HD2 TYR A 97 2.793 10.759 3.279 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.282 13.056 6.896 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.855 9.862 5.594 1.00 0.00 H new ATOM 0 HH TYR A 97 2.474 10.426 7.801 1.00 0.00 H new ATOM 1463 N LYS A 98 4.994 13.653 0.979 1.00 0.00 N ATOM 1464 CA LYS A 98 5.679 13.319 -0.252 1.00 0.00 C ATOM 1465 C LYS A 98 4.890 12.183 -0.890 1.00 0.00 C ATOM 1466 O LYS A 98 4.586 11.216 -0.203 1.00 0.00 O ATOM 1467 CB LYS A 98 7.133 12.903 0.018 1.00 0.00 C ATOM 1468 CG LYS A 98 7.911 12.685 -1.287 1.00 0.00 C ATOM 1469 CD LYS A 98 9.359 12.292 -0.973 1.00 0.00 C ATOM 1470 CE LYS A 98 10.152 11.982 -2.248 1.00 0.00 C ATOM 1471 NZ LYS A 98 10.296 13.165 -3.115 1.00 0.00 N ATOM 0 H LYS A 98 5.583 13.574 1.808 1.00 0.00 H new ATOM 0 HA LYS A 98 5.728 14.181 -0.918 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.627 13.671 0.613 1.00 0.00 H new ATOM 0 HB3 LYS A 98 7.146 11.986 0.607 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.433 11.904 -1.879 1.00 0.00 H new ATOM 0 HG3 LYS A 98 7.894 13.595 -1.887 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.846 13.102 -0.429 1.00 0.00 H new ATOM 0 HD3 LYS A 98 9.366 11.420 -0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 98 11.140 11.609 -1.978 1.00 0.00 H new ATOM 0 HE3 LYS A 98 9.652 11.187 -2.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 10.923 12.936 -3.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 9.362 13.446 -3.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 10.705 13.949 -2.567 1.00 0.00 H new ATOM 1485 N THR A 99 4.517 12.297 -2.163 1.00 0.00 N ATOM 1486 CA THR A 99 3.568 11.376 -2.770 1.00 0.00 C ATOM 1487 C THR A 99 4.131 10.844 -4.085 1.00 0.00 C ATOM 1488 O THR A 99 3.800 11.335 -5.165 1.00 0.00 O ATOM 1489 CB THR A 99 2.225 12.102 -2.900 1.00 0.00 C ATOM 1490 OG1 THR A 99 1.821 12.567 -1.627 1.00 0.00 O ATOM 1491 CG2 THR A 99 1.119 11.165 -3.370 1.00 0.00 C ATOM 0 H THR A 99 4.861 13.022 -2.793 1.00 0.00 H new ATOM 0 HA THR A 99 3.400 10.493 -2.154 1.00 0.00 H new ATOM 0 HB THR A 99 2.368 12.909 -3.619 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.780 11.814 -1.001 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.183 11.718 -3.449 1.00 0.00 H new ATOM 0 HG22 THR A 99 1.381 10.753 -4.345 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.001 10.353 -2.653 1.00 0.00 H new ATOM 1499 N THR A 100 4.999 9.834 -3.996 1.00 0.00 N ATOM 1500 CA THR A 100 5.685 9.291 -5.153 1.00 0.00 C ATOM 1501 C THR A 100 4.754 8.352 -5.920 1.00 0.00 C ATOM 1502 O THR A 100 4.712 7.149 -5.664 1.00 0.00 O ATOM 1503 CB THR A 100 6.983 8.607 -4.710 1.00 0.00 C ATOM 1504 OG1 THR A 100 7.799 9.548 -4.039 1.00 0.00 O ATOM 1505 CG2 THR A 100 7.741 8.039 -5.912 1.00 0.00 C ATOM 0 H THR A 100 5.241 9.375 -3.118 1.00 0.00 H new ATOM 0 HA THR A 100 5.960 10.094 -5.837 1.00 0.00 H new ATOM 0 HB THR A 100 6.732 7.783 -4.042 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.630 9.115 -3.752 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.658 7.559 -5.570 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.116 7.306 -6.423 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.989 8.847 -6.600 1.00 0.00 H new ATOM 1513 N GLN A 101 4.012 8.921 -6.872 1.00 0.00 N ATOM 1514 CA GLN A 101 3.272 8.172 -7.875 1.00 0.00 C ATOM 1515 C GLN A 101 4.238 7.652 -8.942 1.00 0.00 C ATOM 1516 O GLN A 101 4.844 8.450 -9.657 1.00 0.00 O ATOM 1517 CB GLN A 101 2.085 8.992 -8.420 1.00 0.00 C ATOM 1518 CG GLN A 101 2.380 10.151 -9.393 1.00 0.00 C ATOM 1519 CD GLN A 101 3.247 11.265 -8.808 1.00 0.00 C ATOM 1520 OE1 GLN A 101 2.738 12.280 -8.342 1.00 0.00 O ATOM 1521 NE2 GLN A 101 4.562 11.090 -8.834 1.00 0.00 N ATOM 0 H GLN A 101 3.910 9.932 -6.964 1.00 0.00 H new ATOM 0 HA GLN A 101 2.811 7.292 -7.426 1.00 0.00 H new ATOM 0 HB2 GLN A 101 1.407 8.302 -8.922 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.546 9.404 -7.567 1.00 0.00 H new ATOM 0 HG2 GLN A 101 2.875 9.749 -10.277 1.00 0.00 H new ATOM 0 HG3 GLN A 101 1.434 10.580 -9.724 1.00 0.00 H new ATOM 0 HE21 GLN A 101 4.955 10.235 -9.228 1.00 0.00 H new ATOM 0 HE22 GLN A 101 5.180 11.810 -8.460 1.00 0.00 H new ATOM 1530 N VAL A 102 4.413 6.330 -9.024 1.00 0.00 N ATOM 1531 CA VAL A 102 5.246 5.669 -10.007 1.00 0.00 C ATOM 1532 C VAL A 102 4.544 4.388 -10.460 1.00 0.00 C ATOM 1533 O VAL A 102 3.615 3.926 -9.798 1.00 0.00 O ATOM 1534 CB VAL A 102 6.631 5.373 -9.412 1.00 0.00 C ATOM 1535 CG1 VAL A 102 7.480 6.645 -9.308 1.00 0.00 C ATOM 1536 CG2 VAL A 102 6.577 4.645 -8.063 1.00 0.00 C ATOM 0 H VAL A 102 3.960 5.678 -8.383 1.00 0.00 H new ATOM 0 HA VAL A 102 5.395 6.314 -10.873 1.00 0.00 H new ATOM 0 HB VAL A 102 7.110 4.688 -10.112 1.00 0.00 H new ATOM 0 HG11 VAL A 102 8.453 6.399 -8.883 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.615 7.074 -10.301 1.00 0.00 H new ATOM 0 HG13 VAL A 102 6.976 7.367 -8.666 1.00 0.00 H new ATOM 0 HG21 VAL A 102 7.591 4.469 -7.704 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.037 5.257 -7.341 1.00 0.00 H new ATOM 0 HG23 VAL A 102 6.065 3.691 -8.185 1.00 0.00 H new ATOM 1546 N GLU A 103 4.985 3.833 -11.592 1.00 0.00 N ATOM 1547 CA GLU A 103 4.445 2.632 -12.203 1.00 0.00 C ATOM 1548 C GLU A 103 5.548 1.584 -12.216 1.00 0.00 C ATOM 1549 O GLU A 103 6.558 1.800 -12.881 1.00 0.00 O ATOM 1550 CB GLU A 103 3.985 2.954 -13.631 1.00 0.00 C ATOM 1551 CG GLU A 103 2.987 4.117 -13.642 1.00 0.00 C ATOM 1552 CD GLU A 103 2.282 4.260 -14.989 1.00 0.00 C ATOM 1553 OE1 GLU A 103 3.004 4.291 -16.008 1.00 0.00 O ATOM 1554 OE2 GLU A 103 1.033 4.334 -14.974 1.00 0.00 O ATOM 0 H GLU A 103 5.760 4.230 -12.124 1.00 0.00 H new ATOM 0 HA GLU A 103 3.587 2.257 -11.645 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.849 3.207 -14.246 1.00 0.00 H new ATOM 0 HB3 GLU A 103 3.524 2.072 -14.075 1.00 0.00 H new ATOM 0 HG2 GLU A 103 2.244 3.963 -12.860 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.510 5.044 -13.407 1.00 0.00 H new ATOM 1561 N LYS A 104 5.378 0.474 -11.495 1.00 0.00 N ATOM 1562 CA LYS A 104 6.362 -0.597 -11.454 1.00 0.00 C ATOM 1563 C LYS A 104 5.741 -1.815 -10.787 1.00 0.00 C ATOM 1564 O LYS A 104 4.554 -1.816 -10.466 1.00 0.00 O ATOM 1565 CB LYS A 104 7.660 -0.169 -10.735 1.00 0.00 C ATOM 1566 CG LYS A 104 8.864 -0.044 -11.682 1.00 0.00 C ATOM 1567 CD LYS A 104 9.389 -1.410 -12.151 1.00 0.00 C ATOM 1568 CE LYS A 104 10.650 -1.260 -13.014 1.00 0.00 C ATOM 1569 NZ LYS A 104 10.384 -0.514 -14.258 1.00 0.00 N ATOM 0 H LYS A 104 4.551 0.297 -10.924 1.00 0.00 H new ATOM 0 HA LYS A 104 6.647 -0.845 -12.476 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.495 0.788 -10.240 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.893 -0.895 -9.956 1.00 0.00 H new ATOM 0 HG2 LYS A 104 8.579 0.550 -12.551 1.00 0.00 H new ATOM 0 HG3 LYS A 104 9.665 0.495 -11.177 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.611 -2.033 -11.285 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.615 -1.923 -12.722 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.422 -0.746 -12.441 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.040 -2.248 -13.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.223 -0.552 -14.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.574 -0.940 -14.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.167 0.477 -14.029 1.00 0.00 H new ATOM 1583 N HIS A 105 6.551 -2.856 -10.615 1.00 0.00 N ATOM 1584 CA HIS A 105 6.120 -4.090 -9.983 1.00 0.00 C ATOM 1585 C HIS A 105 5.887 -3.852 -8.501 1.00 0.00 C ATOM 1586 O HIS A 105 6.566 -3.024 -7.892 1.00 0.00 O ATOM 1587 CB HIS A 105 7.156 -5.203 -10.173 1.00 0.00 C ATOM 1588 CG HIS A 105 7.225 -5.733 -11.581 1.00 0.00 C ATOM 1589 ND1 HIS A 105 8.365 -5.938 -12.338 1.00 0.00 N ATOM 1590 CD2 HIS A 105 6.168 -6.263 -12.262 1.00 0.00 C ATOM 1591 CE1 HIS A 105 7.995 -6.581 -13.462 1.00 0.00 C ATOM 1592 NE2 HIS A 105 6.665 -6.794 -13.433 1.00 0.00 N ATOM 0 H HIS A 105 7.527 -2.863 -10.912 1.00 0.00 H new ATOM 0 HA HIS A 105 5.190 -4.408 -10.455 1.00 0.00 H new ATOM 0 HB2 HIS A 105 8.138 -4.825 -9.888 1.00 0.00 H new ATOM 0 HB3 HIS A 105 6.922 -6.025 -9.496 1.00 0.00 H new ATOM 0 HD2 HIS A 105 5.136 -6.266 -11.943 1.00 0.00 H new ATOM 0 HE1 HIS A 105 8.659 -6.879 -14.260 1.00 0.00 H new ATOM 0 HE2 HIS A 105 6.120 -7.267 -14.154 1.00 0.00 H new ATOM 1601 N ILE A 106 4.945 -4.616 -7.949 1.00 0.00 N ATOM 1602 CA ILE A 106 4.661 -4.674 -6.517 1.00 0.00 C ATOM 1603 C ILE A 106 4.880 -6.087 -5.985 1.00 0.00 C ATOM 1604 O ILE A 106 4.705 -7.061 -6.724 1.00 0.00 O ATOM 1605 CB ILE A 106 3.254 -4.141 -6.200 1.00 0.00 C ATOM 1606 CG1 ILE A 106 2.134 -5.084 -6.666 1.00 0.00 C ATOM 1607 CG2 ILE A 106 3.074 -2.753 -6.824 1.00 0.00 C ATOM 1608 CD1 ILE A 106 0.765 -4.639 -6.155 1.00 0.00 C ATOM 0 H ILE A 106 4.343 -5.227 -8.501 1.00 0.00 H new ATOM 0 HA ILE A 106 5.362 -4.018 -6.000 1.00 0.00 H new ATOM 0 HB ILE A 106 3.173 -4.076 -5.115 1.00 0.00 H new ATOM 0 HG12 ILE A 106 2.120 -5.121 -7.755 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.341 -6.095 -6.315 1.00 0.00 H new ATOM 0 HG21 ILE A 106 2.076 -2.379 -6.597 1.00 0.00 H new ATOM 0 HG22 ILE A 106 3.819 -2.071 -6.415 1.00 0.00 H new ATOM 0 HG23 ILE A 106 3.199 -2.821 -7.905 1.00 0.00 H new ATOM 0 HD11 ILE A 106 0.002 -5.333 -6.507 1.00 0.00 H new ATOM 0 HD12 ILE A 106 0.770 -4.628 -5.065 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.545 -3.638 -6.527 1.00 0.00 H new ATOM 1620 N ILE A 107 5.295 -6.181 -4.717 1.00 0.00 N ATOM 1621 CA ILE A 107 5.581 -7.421 -4.021 1.00 0.00 C ATOM 1622 C ILE A 107 4.824 -7.359 -2.696 1.00 0.00 C ATOM 1623 O ILE A 107 5.070 -6.459 -1.887 1.00 0.00 O ATOM 1624 CB ILE A 107 7.102 -7.574 -3.809 1.00 0.00 C ATOM 1625 CG1 ILE A 107 7.917 -7.838 -5.092 1.00 0.00 C ATOM 1626 CG2 ILE A 107 7.375 -8.779 -2.894 1.00 0.00 C ATOM 1627 CD1 ILE A 107 8.060 -6.661 -6.061 1.00 0.00 C ATOM 0 H ILE A 107 5.444 -5.358 -4.133 1.00 0.00 H new ATOM 0 HA ILE A 107 5.261 -8.291 -4.595 1.00 0.00 H new ATOM 0 HB ILE A 107 7.415 -6.617 -3.391 1.00 0.00 H new ATOM 0 HG12 ILE A 107 8.915 -8.165 -4.801 1.00 0.00 H new ATOM 0 HG13 ILE A 107 7.453 -8.667 -5.627 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.449 -8.886 -2.745 1.00 0.00 H new ATOM 0 HG22 ILE A 107 6.889 -8.622 -1.931 1.00 0.00 H new ATOM 0 HG23 ILE A 107 6.981 -9.684 -3.357 1.00 0.00 H new ATOM 0 HD11 ILE A 107 8.652 -6.969 -6.923 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.072 -6.342 -6.395 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.557 -5.833 -5.556 1.00 0.00 H new ATOM 1639 N VAL A 108 3.903 -8.305 -2.481 1.00 0.00 N ATOM 1640 CA VAL A 108 3.088 -8.371 -1.274 1.00 0.00 C ATOM 1641 C VAL A 108 3.299 -9.712 -0.573 1.00 0.00 C ATOM 1642 O VAL A 108 3.357 -10.745 -1.237 1.00 0.00 O ATOM 1643 CB VAL A 108 1.606 -8.119 -1.603 1.00 0.00 C ATOM 1644 CG1 VAL A 108 1.377 -6.651 -1.984 1.00 0.00 C ATOM 1645 CG2 VAL A 108 1.069 -9.024 -2.722 1.00 0.00 C ATOM 0 H VAL A 108 3.705 -9.050 -3.149 1.00 0.00 H new ATOM 0 HA VAL A 108 3.401 -7.584 -0.588 1.00 0.00 H new ATOM 0 HB VAL A 108 1.054 -8.362 -0.695 1.00 0.00 H new ATOM 0 HG11 VAL A 108 0.323 -6.495 -2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.667 -6.010 -1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.979 -6.404 -2.859 1.00 0.00 H new ATOM 0 HG21 VAL A 108 0.019 -8.794 -2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.641 -8.853 -3.634 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.165 -10.068 -2.424 1.00 0.00 H new ATOM 1655 N ALA A 109 3.421 -9.705 0.759 1.00 0.00 N ATOM 1656 CA ALA A 109 3.506 -10.921 1.555 1.00 0.00 C ATOM 1657 C ALA A 109 2.096 -11.378 1.913 1.00 0.00 C ATOM 1658 O ALA A 109 1.267 -10.552 2.308 1.00 0.00 O ATOM 1659 CB ALA A 109 4.358 -10.719 2.805 1.00 0.00 C ATOM 0 H ALA A 109 3.463 -8.849 1.312 1.00 0.00 H new ATOM 0 HA ALA A 109 3.999 -11.695 0.967 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.397 -11.649 3.373 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.368 -10.428 2.514 1.00 0.00 H new ATOM 0 HB3 ALA A 109 3.918 -9.935 3.422 1.00 0.00 H new ATOM 1665 N CYS A 110 1.829 -12.678 1.751 1.00 0.00 N ATOM 1666 CA CYS A 110 0.498 -13.254 1.882 1.00 0.00 C ATOM 1667 C CYS A 110 0.379 -14.139 3.119 1.00 0.00 C ATOM 1668 O CYS A 110 1.344 -14.781 3.536 1.00 0.00 O ATOM 1669 CB CYS A 110 0.130 -14.035 0.620 1.00 0.00 C ATOM 1670 SG CYS A 110 -0.112 -13.014 -0.854 1.00 0.00 S ATOM 0 H CYS A 110 2.547 -13.366 1.522 1.00 0.00 H new ATOM 0 HA CYS A 110 -0.206 -12.431 2.006 1.00 0.00 H new ATOM 0 HB2 CYS A 110 0.916 -14.763 0.417 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -0.784 -14.598 0.810 1.00 0.00 H new ATOM 1675 N GLY A 111 -0.818 -14.172 3.711 1.00 0.00 N ATOM 1676 CA GLY A 111 -1.100 -15.031 4.845 1.00 0.00 C ATOM 1677 C GLY A 111 -1.107 -16.499 4.421 1.00 0.00 C ATOM 1678 O GLY A 111 -1.140 -16.816 3.232 1.00 0.00 O ATOM 0 H GLY A 111 -1.611 -13.603 3.413 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.351 -14.875 5.621 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.066 -14.767 5.276 1.00 0.00 H new ATOM 1682 N GLY A 112 -1.081 -17.401 5.406 1.00 0.00 N ATOM 1683 CA GLY A 112 -1.328 -18.809 5.163 1.00 0.00 C ATOM 1684 C GLY A 112 -2.776 -18.992 4.713 1.00 0.00 C ATOM 1685 O GLY A 112 -3.594 -18.093 4.895 1.00 0.00 O ATOM 0 H GLY A 112 -0.890 -17.171 6.381 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -0.647 -19.184 4.399 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -1.140 -19.386 6.069 1.00 0.00 H new ATOM 1689 N LYS A 113 -3.062 -20.159 4.128 1.00 0.00 N ATOM 1690 CA LYS A 113 -4.324 -20.507 3.475 1.00 0.00 C ATOM 1691 C LYS A 113 -5.544 -19.864 4.163 1.00 0.00 C ATOM 1692 O LYS A 113 -5.750 -20.108 5.351 1.00 0.00 O ATOM 1693 CB LYS A 113 -4.496 -22.033 3.456 1.00 0.00 C ATOM 1694 CG LYS A 113 -3.397 -22.761 2.667 1.00 0.00 C ATOM 1695 CD LYS A 113 -3.740 -24.253 2.585 1.00 0.00 C ATOM 1696 CE LYS A 113 -2.652 -25.027 1.833 1.00 0.00 C ATOM 1697 NZ LYS A 113 -2.990 -26.457 1.730 1.00 0.00 N ATOM 0 H LYS A 113 -2.386 -20.922 4.096 1.00 0.00 H new ATOM 0 HA LYS A 113 -4.277 -20.116 2.459 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -4.503 -22.403 4.481 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -5.466 -22.277 3.023 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -3.312 -22.340 1.665 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -2.431 -22.624 3.154 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -3.852 -24.660 3.590 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -4.698 -24.382 2.081 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -2.528 -24.607 0.835 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -1.698 -24.912 2.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -2.236 -26.956 1.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -3.085 -26.861 2.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -3.888 -26.565 1.217 1.00 0.00 H new ATOM 1711 N PRO A 114 -6.379 -19.084 3.452 1.00 0.00 N ATOM 1712 CA PRO A 114 -6.338 -18.825 2.018 1.00 0.00 C ATOM 1713 C PRO A 114 -5.198 -17.875 1.634 1.00 0.00 C ATOM 1714 O PRO A 114 -4.770 -17.041 2.426 1.00 0.00 O ATOM 1715 CB PRO A 114 -7.698 -18.209 1.681 1.00 0.00 C ATOM 1716 CG PRO A 114 -8.088 -17.500 2.978 1.00 0.00 C ATOM 1717 CD PRO A 114 -7.531 -18.434 4.052 1.00 0.00 C ATOM 0 HA PRO A 114 -6.150 -19.743 1.461 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -7.629 -17.512 0.846 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -8.427 -18.970 1.402 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -7.651 -16.503 3.042 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -9.168 -17.381 3.065 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -7.245 -17.877 4.944 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -8.278 -19.166 4.359 1.00 0.00 H new ATOM 1725 N SER A 115 -4.711 -17.998 0.398 1.00 0.00 N ATOM 1726 CA SER A 115 -3.646 -17.145 -0.113 1.00 0.00 C ATOM 1727 C SER A 115 -4.205 -15.740 -0.342 1.00 0.00 C ATOM 1728 O SER A 115 -4.735 -15.455 -1.416 1.00 0.00 O ATOM 1729 CB SER A 115 -3.058 -17.761 -1.390 1.00 0.00 C ATOM 1730 OG SER A 115 -1.863 -17.110 -1.778 1.00 0.00 O ATOM 0 H SER A 115 -5.045 -18.691 -0.272 1.00 0.00 H new ATOM 0 HA SER A 115 -2.832 -17.067 0.607 1.00 0.00 H new ATOM 0 HB2 SER A 115 -2.860 -18.820 -1.226 1.00 0.00 H new ATOM 0 HB3 SER A 115 -3.788 -17.694 -2.197 1.00 0.00 H new ATOM 0 HG SER A 115 -2.028 -16.575 -2.582 1.00 0.00 H new ATOM 1736 N VAL A 116 -4.105 -14.877 0.673 1.00 0.00 N ATOM 1737 CA VAL A 116 -4.570 -13.494 0.633 1.00 0.00 C ATOM 1738 C VAL A 116 -3.429 -12.559 1.066 1.00 0.00 C ATOM 1739 O VAL A 116 -2.666 -12.926 1.965 1.00 0.00 O ATOM 1740 CB VAL A 116 -5.836 -13.334 1.498 1.00 0.00 C ATOM 1741 CG1 VAL A 116 -6.945 -14.287 1.037 1.00 0.00 C ATOM 1742 CG2 VAL A 116 -5.579 -13.549 2.997 1.00 0.00 C ATOM 0 H VAL A 116 -3.687 -15.131 1.568 1.00 0.00 H new ATOM 0 HA VAL A 116 -4.850 -13.219 -0.384 1.00 0.00 H new ATOM 0 HB VAL A 116 -6.153 -12.300 1.362 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -7.825 -14.152 1.665 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -7.203 -14.071 0.000 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -6.597 -15.317 1.117 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -6.511 -13.422 3.548 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -5.196 -14.556 3.160 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.847 -12.821 3.349 1.00 0.00 H new ATOM 1752 N PRO A 117 -3.270 -11.382 0.435 1.00 0.00 N ATOM 1753 CA PRO A 117 -2.172 -10.467 0.716 1.00 0.00 C ATOM 1754 C PRO A 117 -2.402 -9.795 2.066 1.00 0.00 C ATOM 1755 O PRO A 117 -3.539 -9.461 2.387 1.00 0.00 O ATOM 1756 CB PRO A 117 -2.178 -9.467 -0.439 1.00 0.00 C ATOM 1757 CG PRO A 117 -3.652 -9.399 -0.833 1.00 0.00 C ATOM 1758 CD PRO A 117 -4.152 -10.821 -0.578 1.00 0.00 C ATOM 0 HA PRO A 117 -1.204 -10.964 0.784 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -1.798 -8.493 -0.130 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -1.555 -9.804 -1.267 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -4.195 -8.668 -0.233 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -3.776 -9.110 -1.877 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -5.186 -10.815 -0.234 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -4.123 -11.414 -1.492 1.00 0.00 H new ATOM 1766 N VAL A 118 -1.347 -9.619 2.868 1.00 0.00 N ATOM 1767 CA VAL A 118 -1.481 -9.156 4.242 1.00 0.00 C ATOM 1768 C VAL A 118 -0.380 -8.192 4.692 1.00 0.00 C ATOM 1769 O VAL A 118 -0.604 -7.426 5.630 1.00 0.00 O ATOM 1770 CB VAL A 118 -1.701 -10.361 5.177 1.00 0.00 C ATOM 1771 CG1 VAL A 118 -0.454 -11.242 5.277 1.00 0.00 C ATOM 1772 CG2 VAL A 118 -2.144 -9.942 6.580 1.00 0.00 C ATOM 0 H VAL A 118 -0.384 -9.794 2.580 1.00 0.00 H new ATOM 0 HA VAL A 118 -2.371 -8.530 4.299 1.00 0.00 H new ATOM 0 HB VAL A 118 -2.506 -10.940 4.724 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -0.653 -12.079 5.946 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -0.196 -11.621 4.288 1.00 0.00 H new ATOM 0 HG13 VAL A 118 0.376 -10.654 5.668 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -2.285 -10.829 7.197 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -1.381 -9.306 7.028 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -3.083 -9.392 6.516 1.00 0.00 H new ATOM 1782 N HIS A 119 0.799 -8.201 4.060 1.00 0.00 N ATOM 1783 CA HIS A 119 1.813 -7.174 4.288 1.00 0.00 C ATOM 1784 C HIS A 119 2.322 -6.633 2.958 1.00 0.00 C ATOM 1785 O HIS A 119 2.474 -7.379 1.993 1.00 0.00 O ATOM 1786 CB HIS A 119 2.989 -7.690 5.123 1.00 0.00 C ATOM 1787 CG HIS A 119 2.639 -8.425 6.393 1.00 0.00 C ATOM 1788 ND1 HIS A 119 1.515 -8.229 7.173 1.00 0.00 N ATOM 1789 CD2 HIS A 119 3.414 -9.373 7.001 1.00 0.00 C ATOM 1790 CE1 HIS A 119 1.601 -9.055 8.231 1.00 0.00 C ATOM 1791 NE2 HIS A 119 2.747 -9.756 8.148 1.00 0.00 N ATOM 0 H HIS A 119 1.072 -8.914 3.384 1.00 0.00 H new ATOM 0 HA HIS A 119 1.336 -6.374 4.854 1.00 0.00 H new ATOM 0 HB2 HIS A 119 3.587 -8.354 4.498 1.00 0.00 H new ATOM 0 HB3 HIS A 119 3.622 -6.841 5.383 1.00 0.00 H new ATOM 0 HD1 HIS A 119 0.756 -7.575 6.981 1.00 0.00 H new ATOM 0 HD2 HIS A 119 4.364 -9.750 6.652 1.00 0.00 H new ATOM 0 HE1 HIS A 119 0.869 -9.142 9.020 1.00 0.00 H new ATOM 1800 N PHE A 120 2.613 -5.332 2.925 1.00 0.00 N ATOM 1801 CA PHE A 120 3.265 -4.688 1.803 1.00 0.00 C ATOM 1802 C PHE A 120 4.760 -4.778 2.057 1.00 0.00 C ATOM 1803 O PHE A 120 5.253 -4.155 2.995 1.00 0.00 O ATOM 1804 CB PHE A 120 2.837 -3.221 1.694 1.00 0.00 C ATOM 1805 CG PHE A 120 3.632 -2.453 0.657 1.00 0.00 C ATOM 1806 CD1 PHE A 120 3.588 -2.851 -0.692 1.00 0.00 C ATOM 1807 CD2 PHE A 120 4.543 -1.459 1.061 1.00 0.00 C ATOM 1808 CE1 PHE A 120 4.382 -2.196 -1.645 1.00 0.00 C ATOM 1809 CE2 PHE A 120 5.352 -0.817 0.109 1.00 0.00 C ATOM 1810 CZ PHE A 120 5.255 -1.170 -1.247 1.00 0.00 C ATOM 0 H PHE A 120 2.396 -4.694 3.691 1.00 0.00 H new ATOM 0 HA PHE A 120 2.991 -5.176 0.867 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.778 -3.174 1.441 1.00 0.00 H new ATOM 0 HB3 PHE A 120 2.955 -2.740 2.665 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.942 -3.662 -0.994 1.00 0.00 H new ATOM 0 HD2 PHE A 120 4.620 -1.190 2.104 1.00 0.00 H new ATOM 0 HE1 PHE A 120 4.322 -2.481 -2.685 1.00 0.00 H new ATOM 0 HE2 PHE A 120 6.048 -0.052 0.420 1.00 0.00 H new ATOM 0 HZ PHE A 120 5.852 -0.653 -1.984 1.00 0.00 H new ATOM 1820 N ASP A 121 5.468 -5.560 1.245 1.00 0.00 N ATOM 1821 CA ASP A 121 6.919 -5.568 1.295 1.00 0.00 C ATOM 1822 C ASP A 121 7.465 -4.334 0.588 1.00 0.00 C ATOM 1823 O ASP A 121 8.096 -3.487 1.217 1.00 0.00 O ATOM 1824 CB ASP A 121 7.479 -6.839 0.661 1.00 0.00 C ATOM 1825 CG ASP A 121 9.001 -6.764 0.553 1.00 0.00 C ATOM 1826 OD1 ASP A 121 9.650 -6.743 1.620 1.00 0.00 O ATOM 1827 OD2 ASP A 121 9.491 -6.746 -0.598 1.00 0.00 O ATOM 0 H ASP A 121 5.061 -6.189 0.553 1.00 0.00 H new ATOM 0 HA ASP A 121 7.232 -5.549 2.339 1.00 0.00 H new ATOM 0 HB2 ASP A 121 7.194 -7.705 1.258 1.00 0.00 H new ATOM 0 HB3 ASP A 121 7.046 -6.979 -0.329 1.00 0.00 H new ATOM 1832 N ALA A 122 7.279 -4.266 -0.733 1.00 0.00 N ATOM 1833 CA ALA A 122 7.946 -3.262 -1.542 1.00 0.00 C ATOM 1834 C ALA A 122 7.319 -3.174 -2.929 1.00 0.00 C ATOM 1835 O ALA A 122 6.516 -4.023 -3.329 1.00 0.00 O ATOM 1836 CB ALA A 122 9.438 -3.602 -1.666 1.00 0.00 C ATOM 0 H ALA A 122 6.672 -4.896 -1.257 1.00 0.00 H new ATOM 0 HA ALA A 122 7.832 -2.295 -1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 122 9.934 -2.846 -2.274 1.00 0.00 H new ATOM 0 HB2 ALA A 122 9.890 -3.624 -0.674 1.00 0.00 H new ATOM 0 HB3 ALA A 122 9.551 -4.578 -2.138 1.00 0.00 H new ATOM 1842 N SER A 123 7.745 -2.145 -3.661 1.00 0.00 N ATOM 1843 CA SER A 123 7.499 -1.953 -5.074 1.00 0.00 C ATOM 1844 C SER A 123 8.841 -1.625 -5.718 1.00 0.00 C ATOM 1845 O SER A 123 9.785 -1.300 -4.998 1.00 0.00 O ATOM 1846 CB SER A 123 6.493 -0.824 -5.294 1.00 0.00 C ATOM 1847 OG SER A 123 5.318 -1.049 -4.540 1.00 0.00 O ATOM 0 H SER A 123 8.298 -1.390 -3.256 1.00 0.00 H new ATOM 0 HA SER A 123 7.071 -2.850 -5.522 1.00 0.00 H new ATOM 0 HB2 SER A 123 6.939 0.128 -5.007 1.00 0.00 H new ATOM 0 HB3 SER A 123 6.244 -0.753 -6.353 1.00 0.00 H new ATOM 0 HG SER A 123 5.552 -1.157 -3.594 1.00 0.00 H new ATOM 1853 N VAL A 124 8.920 -1.701 -7.048 1.00 0.00 N ATOM 1854 CA VAL A 124 10.155 -1.510 -7.807 1.00 0.00 C ATOM 1855 C VAL A 124 11.319 -2.295 -7.177 1.00 0.00 C ATOM 1856 O VAL A 124 11.173 -3.537 -7.124 1.00 0.00 O ATOM 1857 CB VAL A 124 10.404 -0.012 -8.116 1.00 0.00 C ATOM 1858 CG1 VAL A 124 10.546 0.913 -6.898 1.00 0.00 C ATOM 1859 CG2 VAL A 124 11.598 0.190 -9.061 1.00 0.00 C ATOM 1860 OXT VAL A 124 12.325 -1.673 -6.773 1.00 0.00 O ATOM 0 H VAL A 124 8.112 -1.901 -7.637 1.00 0.00 H new ATOM 0 HA VAL A 124 10.057 -1.953 -8.798 1.00 0.00 H new ATOM 0 HB VAL A 124 9.480 0.292 -8.608 1.00 0.00 H new ATOM 0 HG11 VAL A 124 10.717 1.935 -7.235 1.00 0.00 H new ATOM 0 HG12 VAL A 124 9.633 0.875 -6.304 1.00 0.00 H new ATOM 0 HG13 VAL A 124 11.389 0.586 -6.289 1.00 0.00 H new ATOM 0 HG21 VAL A 124 11.736 1.255 -9.250 1.00 0.00 H new ATOM 0 HG22 VAL A 124 12.499 -0.217 -8.601 1.00 0.00 H new ATOM 0 HG23 VAL A 124 11.408 -0.324 -10.003 1.00 0.00 H new