USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 687 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 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 55 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 1.11 USER MOD Set 2.2: A 22 LYS NZ :NH3+ -126:sc= 1.2 (180deg=0) USER MOD Single : A 1 THR N :NH3+ 145:sc= 0.374 (180deg=-0.179) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.214 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 165:sc= -0.0619 (180deg=-0.162) USER MOD Single : A 11 LYS NZ :NH3+ -130:sc= 0 (180deg=-0.18) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 24 GLN : amide:sc= -8.3! C(o=-8.3!,f=-9.4!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0103) USER MOD Single : A 29 ASN :FLIP amide:sc= -6.32! C(o=-8.2!,f=-6.3!) USER MOD Single : A 31 MET CE :methyl 138:sc= -1.02 (180deg=-4.02!) USER MOD Single : A 33 HIS : no HD1:sc= -4.64 K(o=-4.6,f=-5.5!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 150:sc= -0.0174 (180deg=-0.327) USER MOD Single : A 43 ASN : amide:sc= -2.19! C(o=-2.2!,f=-3.5!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 113:sc= -4.28! USER MOD Single : A 50 TYR OH : rot 141:sc= 0.475 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00364 USER MOD Single : A 60 THR OG1 : rot 180:sc=-0.000501 USER MOD Single : A 65 LYS NZ :NH3+ -147:sc= -0.0226 (180deg=-1.18) USER MOD Single : A 68 LYS NZ :NH3+ 158:sc= -2.43 (180deg=-3.41!) USER MOD Single : A 70 HIS : no HD1:sc= -0.456 X(o=-0.46,f=-0.3) USER MOD Single : A 71 SER OG : rot 180:sc= 0.144 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -153:sc= -0.814 (180deg=-2.24!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -1.12! USER MOD Single : A 81 SER OG : rot -119:sc= 1.17 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 24.001 -7.434 -6.504 1.00 0.00 N ATOM 2 CA THR A 1 23.589 -6.406 -7.503 1.00 0.00 C ATOM 3 C THR A 1 22.121 -6.025 -7.292 1.00 0.00 C ATOM 4 O THR A 1 21.461 -5.540 -8.189 1.00 0.00 O ATOM 5 CB THR A 1 23.784 -7.070 -8.870 1.00 0.00 C ATOM 6 OG1 THR A 1 24.390 -8.345 -8.700 1.00 0.00 O ATOM 7 CG2 THR A 1 24.680 -6.190 -9.742 1.00 0.00 C ATOM 0 H1 THR A 1 24.679 -8.091 -6.941 1.00 0.00 H new ATOM 0 H2 THR A 1 24.448 -6.967 -5.689 1.00 0.00 H new ATOM 0 H3 THR A 1 23.164 -7.962 -6.184 1.00 0.00 H new ATOM 0 HA THR A 1 24.172 -5.489 -7.414 1.00 0.00 H new ATOM 0 HB THR A 1 22.815 -7.193 -9.353 1.00 0.00 H new ATOM 0 HG1 THR A 1 24.512 -8.768 -9.575 1.00 0.00 H new ATOM 0 HG21 THR A 1 24.819 -6.663 -10.714 1.00 0.00 H new ATOM 0 HG22 THR A 1 24.212 -5.215 -9.876 1.00 0.00 H new ATOM 0 HG23 THR A 1 25.649 -6.065 -9.258 1.00 0.00 H new ATOM 17 N LYS A 2 21.608 -6.241 -6.112 1.00 0.00 N ATOM 18 CA LYS A 2 20.184 -5.889 -5.842 1.00 0.00 C ATOM 19 C LYS A 2 20.096 -4.504 -5.198 1.00 0.00 C ATOM 20 O LYS A 2 20.592 -4.279 -4.113 1.00 0.00 O ATOM 21 CB LYS A 2 19.687 -6.961 -4.870 1.00 0.00 C ATOM 22 CG LYS A 2 19.918 -8.347 -5.474 1.00 0.00 C ATOM 23 CD LYS A 2 19.243 -9.405 -4.596 1.00 0.00 C ATOM 24 CE LYS A 2 19.306 -10.766 -5.293 1.00 0.00 C ATOM 25 NZ LYS A 2 17.994 -11.408 -5.002 1.00 0.00 N ATOM 0 H LYS A 2 22.112 -6.646 -5.323 1.00 0.00 H new ATOM 0 HA LYS A 2 19.588 -5.856 -6.754 1.00 0.00 H new ATOM 0 HB2 LYS A 2 20.212 -6.876 -3.919 1.00 0.00 H new ATOM 0 HB3 LYS A 2 18.627 -6.815 -4.663 1.00 0.00 H new ATOM 0 HG2 LYS A 2 19.514 -8.387 -6.486 1.00 0.00 H new ATOM 0 HG3 LYS A 2 20.986 -8.549 -5.549 1.00 0.00 H new ATOM 0 HD2 LYS A 2 19.739 -9.458 -3.627 1.00 0.00 H new ATOM 0 HD3 LYS A 2 18.205 -9.129 -4.409 1.00 0.00 H new ATOM 0 HE2 LYS A 2 19.461 -10.653 -6.366 1.00 0.00 H new ATOM 0 HE3 LYS A 2 20.132 -11.366 -4.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 17.961 -12.347 -5.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 17.877 -11.508 -3.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 17.227 -10.817 -5.382 1.00 0.00 H new ATOM 39 N ALA A 3 19.467 -3.573 -5.862 1.00 0.00 N ATOM 40 CA ALA A 3 19.346 -2.202 -5.290 1.00 0.00 C ATOM 41 C ALA A 3 18.097 -2.104 -4.411 1.00 0.00 C ATOM 42 O ALA A 3 17.554 -3.098 -3.972 1.00 0.00 O ATOM 43 CB ALA A 3 19.220 -1.280 -6.503 1.00 0.00 C ATOM 0 H ALA A 3 19.032 -3.702 -6.775 1.00 0.00 H new ATOM 0 HA ALA A 3 20.197 -1.939 -4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 3 19.126 -0.247 -6.167 1.00 0.00 H new ATOM 0 HB2 ALA A 3 20.107 -1.379 -7.129 1.00 0.00 H new ATOM 0 HB3 ALA A 3 18.337 -1.556 -7.079 1.00 0.00 H new ATOM 49 N SER A 4 17.639 -0.911 -4.154 1.00 0.00 N ATOM 50 CA SER A 4 16.424 -0.742 -3.305 1.00 0.00 C ATOM 51 C SER A 4 15.394 0.127 -4.034 1.00 0.00 C ATOM 52 O SER A 4 15.697 0.775 -5.015 1.00 0.00 O ATOM 53 CB SER A 4 16.919 -0.039 -2.042 1.00 0.00 C ATOM 54 OG SER A 4 18.009 -0.770 -1.496 1.00 0.00 O ATOM 0 H SER A 4 18.053 -0.044 -4.495 1.00 0.00 H new ATOM 0 HA SER A 4 15.940 -1.692 -3.078 1.00 0.00 H new ATOM 0 HB2 SER A 4 17.230 0.979 -2.276 1.00 0.00 H new ATOM 0 HB3 SER A 4 16.113 0.034 -1.312 1.00 0.00 H new ATOM 0 HG SER A 4 18.331 -0.321 -0.686 1.00 0.00 H new ATOM 60 N CYS A 5 14.178 0.147 -3.561 1.00 0.00 N ATOM 61 CA CYS A 5 13.130 0.975 -4.226 1.00 0.00 C ATOM 62 C CYS A 5 12.945 2.293 -3.470 1.00 0.00 C ATOM 63 O CYS A 5 13.768 2.677 -2.662 1.00 0.00 O ATOM 64 CB CYS A 5 11.857 0.134 -4.149 1.00 0.00 C ATOM 65 SG CYS A 5 12.005 -1.303 -5.242 1.00 0.00 S ATOM 0 H CYS A 5 13.864 -0.374 -2.742 1.00 0.00 H new ATOM 0 HA CYS A 5 13.391 1.229 -5.253 1.00 0.00 H new ATOM 0 HB2 CYS A 5 11.688 -0.194 -3.123 1.00 0.00 H new ATOM 0 HB3 CYS A 5 10.995 0.735 -4.438 1.00 0.00 H new ATOM 70 N LYS A 6 11.871 2.990 -3.723 1.00 0.00 N ATOM 71 CA LYS A 6 11.636 4.283 -3.017 1.00 0.00 C ATOM 72 C LYS A 6 10.156 4.427 -2.652 1.00 0.00 C ATOM 73 O LYS A 6 9.300 4.478 -3.511 1.00 0.00 O ATOM 74 CB LYS A 6 12.049 5.361 -4.020 1.00 0.00 C ATOM 75 CG LYS A 6 13.100 6.273 -3.387 1.00 0.00 C ATOM 76 CD LYS A 6 13.892 6.981 -4.488 1.00 0.00 C ATOM 77 CE LYS A 6 13.669 8.493 -4.387 1.00 0.00 C ATOM 78 NZ LYS A 6 14.193 9.044 -5.667 1.00 0.00 N ATOM 0 H LYS A 6 11.146 2.721 -4.388 1.00 0.00 H new ATOM 0 HA LYS A 6 12.199 4.354 -2.086 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.450 4.899 -4.922 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.179 5.945 -4.321 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.618 7.007 -2.742 1.00 0.00 H new ATOM 0 HG3 LYS A 6 13.773 5.689 -2.759 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.953 6.752 -4.392 1.00 0.00 H new ATOM 0 HD3 LYS A 6 13.576 6.621 -5.467 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.613 8.729 -4.258 1.00 0.00 H new ATOM 0 HE3 LYS A 6 14.196 8.914 -3.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.076 10.077 -5.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 15.202 8.810 -5.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.668 8.630 -6.464 1.00 0.00 H new ATOM 92 N LEU A 7 9.851 4.493 -1.382 1.00 0.00 N ATOM 93 CA LEU A 7 8.427 4.633 -0.956 1.00 0.00 C ATOM 94 C LEU A 7 7.688 5.617 -1.876 1.00 0.00 C ATOM 95 O LEU A 7 7.833 6.815 -1.736 1.00 0.00 O ATOM 96 CB LEU A 7 8.497 5.183 0.469 1.00 0.00 C ATOM 97 CG LEU A 7 9.393 6.422 0.498 1.00 0.00 C ATOM 98 CD1 LEU A 7 8.540 7.664 0.761 1.00 0.00 C ATOM 99 CD2 LEU A 7 10.428 6.272 1.613 1.00 0.00 C ATOM 0 H LEU A 7 10.528 4.456 -0.620 1.00 0.00 H new ATOM 0 HA LEU A 7 7.886 3.688 -1.006 1.00 0.00 H new ATOM 0 HB2 LEU A 7 7.497 5.437 0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 7 8.889 4.422 1.144 1.00 0.00 H new ATOM 0 HG LEU A 7 9.900 6.527 -0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 7 9.179 8.547 0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 7 7.799 7.771 -0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 7 8.033 7.561 1.720 1.00 0.00 H new ATOM 0 HD21 LEU A 7 11.068 7.154 1.636 1.00 0.00 H new ATOM 0 HD22 LEU A 7 9.918 6.168 2.571 1.00 0.00 H new ATOM 0 HD23 LEU A 7 11.036 5.387 1.428 1.00 0.00 H new ATOM 111 N PRO A 8 6.921 5.079 -2.796 1.00 0.00 N ATOM 112 CA PRO A 8 6.162 5.928 -3.747 1.00 0.00 C ATOM 113 C PRO A 8 5.128 6.788 -3.011 1.00 0.00 C ATOM 114 O PRO A 8 4.521 7.667 -3.588 1.00 0.00 O ATOM 115 CB PRO A 8 5.472 4.896 -4.644 1.00 0.00 C ATOM 116 CG PRO A 8 5.865 3.484 -4.168 1.00 0.00 C ATOM 117 CD PRO A 8 6.771 3.611 -2.937 1.00 0.00 C ATOM 0 HA PRO A 8 6.790 6.630 -4.295 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.390 5.022 -4.601 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.768 5.040 -5.683 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.974 2.907 -3.922 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.382 2.948 -4.964 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.318 3.163 -2.052 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.731 3.118 -3.088 1.00 0.00 H new ATOM 125 N VAL A 9 4.918 6.543 -1.745 1.00 0.00 N ATOM 126 CA VAL A 9 3.916 7.353 -0.991 1.00 0.00 C ATOM 127 C VAL A 9 4.479 7.774 0.370 1.00 0.00 C ATOM 128 O VAL A 9 5.373 7.148 0.904 1.00 0.00 O ATOM 129 CB VAL A 9 2.712 6.428 -0.802 1.00 0.00 C ATOM 130 CG1 VAL A 9 1.485 7.259 -0.424 1.00 0.00 C ATOM 131 CG2 VAL A 9 2.433 5.675 -2.106 1.00 0.00 C ATOM 0 H VAL A 9 5.393 5.822 -1.203 1.00 0.00 H new ATOM 0 HA VAL A 9 3.652 8.267 -1.522 1.00 0.00 H new ATOM 0 HB VAL A 9 2.927 5.713 -0.008 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.627 6.600 -0.289 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.681 7.795 0.505 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.272 7.975 -1.218 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.575 5.017 -1.970 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.219 6.390 -2.900 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.306 5.082 -2.377 1.00 0.00 H new ATOM 141 N LYS A 10 3.956 8.828 0.935 1.00 0.00 N ATOM 142 CA LYS A 10 4.453 9.288 2.264 1.00 0.00 C ATOM 143 C LYS A 10 3.521 8.787 3.372 1.00 0.00 C ATOM 144 O LYS A 10 3.716 9.068 4.537 1.00 0.00 O ATOM 145 CB LYS A 10 4.425 10.815 2.190 1.00 0.00 C ATOM 146 CG LYS A 10 5.856 11.349 2.097 1.00 0.00 C ATOM 147 CD LYS A 10 6.067 12.015 0.736 1.00 0.00 C ATOM 148 CE LYS A 10 7.274 11.381 0.040 1.00 0.00 C ATOM 149 NZ LYS A 10 6.712 10.250 -0.748 1.00 0.00 N ATOM 0 H LYS A 10 3.206 9.391 0.534 1.00 0.00 H new ATOM 0 HA LYS A 10 5.451 8.910 2.489 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.849 11.137 1.323 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.930 11.223 3.071 1.00 0.00 H new ATOM 0 HG2 LYS A 10 6.040 12.066 2.897 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.568 10.535 2.229 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.176 11.898 0.120 1.00 0.00 H new ATOM 0 HD3 LYS A 10 6.228 13.085 0.864 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.780 12.099 -0.605 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.009 11.031 0.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.416 9.927 -1.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.472 9.466 -0.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 5.855 10.566 -1.245 1.00 0.00 H new ATOM 163 N LYS A 11 2.508 8.045 3.013 1.00 0.00 N ATOM 164 CA LYS A 11 1.562 7.523 4.039 1.00 0.00 C ATOM 165 C LYS A 11 0.845 6.281 3.503 1.00 0.00 C ATOM 166 O LYS A 11 -0.342 6.106 3.693 1.00 0.00 O ATOM 167 CB LYS A 11 0.565 8.659 4.275 1.00 0.00 C ATOM 168 CG LYS A 11 0.089 9.211 2.929 1.00 0.00 C ATOM 169 CD LYS A 11 0.729 10.578 2.684 1.00 0.00 C ATOM 170 CE LYS A 11 0.224 11.149 1.356 1.00 0.00 C ATOM 171 NZ LYS A 11 -1.125 11.702 1.663 1.00 0.00 N ATOM 0 H LYS A 11 2.295 7.778 2.052 1.00 0.00 H new ATOM 0 HA LYS A 11 2.067 7.230 4.959 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.285 8.296 4.852 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.032 9.451 4.860 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.356 8.523 2.127 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.997 9.300 2.924 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.484 11.257 3.500 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.815 10.484 2.662 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.892 11.924 0.980 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.169 10.376 0.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.812 11.348 0.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.414 11.404 2.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.092 12.741 1.620 1.00 0.00 H new ATOM 185 N ALA A 12 1.559 5.420 2.831 1.00 0.00 N ATOM 186 CA ALA A 12 0.920 4.191 2.278 1.00 0.00 C ATOM 187 C ALA A 12 0.982 3.054 3.301 1.00 0.00 C ATOM 188 O ALA A 12 1.982 2.854 3.959 1.00 0.00 O ATOM 189 CB ALA A 12 1.744 3.843 1.037 1.00 0.00 C ATOM 0 H ALA A 12 2.557 5.514 2.641 1.00 0.00 H new ATOM 0 HA ALA A 12 -0.133 4.344 2.040 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.337 2.946 0.570 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.704 4.671 0.329 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.779 3.663 1.326 1.00 0.00 H new ATOM 195 N THR A 13 -0.080 2.305 3.436 1.00 0.00 N ATOM 196 CA THR A 13 -0.081 1.179 4.415 1.00 0.00 C ATOM 197 C THR A 13 -0.135 -0.161 3.677 1.00 0.00 C ATOM 198 O THR A 13 -1.067 -0.445 2.951 1.00 0.00 O ATOM 199 CB THR A 13 -1.347 1.382 5.252 1.00 0.00 C ATOM 200 OG1 THR A 13 -1.537 2.770 5.487 1.00 0.00 O ATOM 201 CG2 THR A 13 -1.201 0.650 6.587 1.00 0.00 C ATOM 0 H THR A 13 -0.946 2.424 2.911 1.00 0.00 H new ATOM 0 HA THR A 13 0.817 1.167 5.032 1.00 0.00 H new ATOM 0 HB THR A 13 -2.208 0.983 4.715 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.348 2.903 6.021 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.103 0.795 7.182 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.054 -0.414 6.404 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.342 1.047 7.128 1.00 0.00 H new ATOM 209 N VAL A 14 0.859 -0.988 3.859 1.00 0.00 N ATOM 210 CA VAL A 14 0.866 -2.310 3.168 1.00 0.00 C ATOM 211 C VAL A 14 0.975 -3.440 4.195 1.00 0.00 C ATOM 212 O VAL A 14 1.042 -3.207 5.385 1.00 0.00 O ATOM 213 CB VAL A 14 2.101 -2.284 2.268 1.00 0.00 C ATOM 214 CG1 VAL A 14 1.824 -1.410 1.044 1.00 0.00 C ATOM 215 CG2 VAL A 14 3.289 -1.711 3.045 1.00 0.00 C ATOM 0 H VAL A 14 1.666 -0.806 4.456 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.047 -2.482 2.599 1.00 0.00 H new ATOM 0 HB VAL A 14 2.334 -3.299 1.945 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.705 -1.392 0.403 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.980 -1.818 0.489 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.589 -0.396 1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.169 -1.693 2.402 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.056 -0.697 3.370 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.489 -2.335 3.916 1.00 0.00 H new ATOM 225 N VAL A 15 0.997 -4.663 3.742 1.00 0.00 N ATOM 226 CA VAL A 15 1.103 -5.808 4.689 1.00 0.00 C ATOM 227 C VAL A 15 2.394 -6.590 4.429 1.00 0.00 C ATOM 228 O VAL A 15 2.402 -7.572 3.712 1.00 0.00 O ATOM 229 CB VAL A 15 -0.124 -6.675 4.399 1.00 0.00 C ATOM 230 CG1 VAL A 15 0.093 -8.082 4.961 1.00 0.00 C ATOM 231 CG2 VAL A 15 -1.355 -6.050 5.058 1.00 0.00 C ATOM 0 H VAL A 15 0.946 -4.919 2.756 1.00 0.00 H new ATOM 0 HA VAL A 15 1.135 -5.485 5.730 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.276 -6.736 3.321 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.783 -8.696 4.752 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.970 -8.530 4.493 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.247 -8.024 6.038 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.230 -6.666 4.852 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.199 -5.989 6.135 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.514 -5.049 4.657 1.00 0.00 H new ATOM 241 N TYR A 16 3.485 -6.164 5.002 1.00 0.00 N ATOM 242 CA TYR A 16 4.772 -6.885 4.782 1.00 0.00 C ATOM 243 C TYR A 16 4.909 -8.046 5.773 1.00 0.00 C ATOM 244 O TYR A 16 4.884 -7.857 6.973 1.00 0.00 O ATOM 245 CB TYR A 16 5.861 -5.841 5.026 1.00 0.00 C ATOM 246 CG TYR A 16 7.208 -6.425 4.671 1.00 0.00 C ATOM 247 CD1 TYR A 16 7.342 -7.240 3.540 1.00 0.00 C ATOM 248 CD2 TYR A 16 8.324 -6.154 5.474 1.00 0.00 C ATOM 249 CE1 TYR A 16 8.590 -7.781 3.211 1.00 0.00 C ATOM 250 CE2 TYR A 16 9.572 -6.697 5.144 1.00 0.00 C ATOM 251 CZ TYR A 16 9.704 -7.510 4.013 1.00 0.00 C ATOM 252 OH TYR A 16 10.934 -8.044 3.689 1.00 0.00 O ATOM 0 H TYR A 16 3.542 -5.349 5.613 1.00 0.00 H new ATOM 0 HA TYR A 16 4.836 -7.314 3.782 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.668 -4.952 4.425 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.852 -5.528 6.070 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.482 -7.451 2.922 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.222 -5.527 6.347 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.693 -8.408 2.338 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.432 -6.488 5.762 1.00 0.00 H new ATOM 0 HH TYR A 16 11.599 -7.756 4.348 1.00 0.00 H new ATOM 262 N GLN A 17 5.060 -9.243 5.278 1.00 0.00 N ATOM 263 CA GLN A 17 5.202 -10.417 6.187 1.00 0.00 C ATOM 264 C GLN A 17 3.972 -10.550 7.090 1.00 0.00 C ATOM 265 O GLN A 17 4.076 -10.895 8.250 1.00 0.00 O ATOM 266 CB GLN A 17 6.450 -10.121 7.019 1.00 0.00 C ATOM 267 CG GLN A 17 7.594 -9.708 6.092 1.00 0.00 C ATOM 268 CD GLN A 17 8.776 -10.661 6.283 1.00 0.00 C ATOM 269 OE1 GLN A 17 9.290 -11.208 5.327 1.00 0.00 O ATOM 270 NE2 GLN A 17 9.230 -10.884 7.485 1.00 0.00 N ATOM 0 H GLN A 17 5.091 -9.460 4.282 1.00 0.00 H new ATOM 0 HA GLN A 17 5.288 -11.354 5.637 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.243 -9.326 7.735 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.734 -11.002 7.595 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.261 -9.729 5.054 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.900 -8.684 6.308 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.798 -10.425 8.287 1.00 0.00 H new ATOM 0 HE22 GLN A 17 10.017 -11.518 7.623 1.00 0.00 H new ATOM 279 N GLY A 18 2.808 -10.283 6.565 1.00 0.00 N ATOM 280 CA GLY A 18 1.573 -10.400 7.391 1.00 0.00 C ATOM 281 C GLY A 18 1.555 -9.301 8.456 1.00 0.00 C ATOM 282 O GLY A 18 0.941 -9.441 9.496 1.00 0.00 O ATOM 0 H GLY A 18 2.658 -9.989 5.600 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.691 -10.318 6.756 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.534 -11.380 7.866 1.00 0.00 H new ATOM 286 N GLU A 19 2.221 -8.207 8.208 1.00 0.00 N ATOM 287 CA GLU A 19 2.235 -7.101 9.208 1.00 0.00 C ATOM 288 C GLU A 19 1.800 -5.790 8.551 1.00 0.00 C ATOM 289 O GLU A 19 2.221 -5.461 7.461 1.00 0.00 O ATOM 290 CB GLU A 19 3.685 -7.007 9.680 1.00 0.00 C ATOM 291 CG GLU A 19 3.765 -7.376 11.163 1.00 0.00 C ATOM 292 CD GLU A 19 3.768 -8.899 11.310 1.00 0.00 C ATOM 293 OE1 GLU A 19 3.386 -9.567 10.363 1.00 0.00 O ATOM 294 OE2 GLU A 19 4.150 -9.371 12.368 1.00 0.00 O ATOM 0 H GLU A 19 2.756 -8.031 7.357 1.00 0.00 H new ATOM 0 HA GLU A 19 1.550 -7.286 10.035 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.314 -7.677 9.093 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.064 -5.997 9.525 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.668 -6.955 11.605 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.918 -6.950 11.701 1.00 0.00 H new ATOM 301 N ARG A 20 0.961 -5.039 9.209 1.00 0.00 N ATOM 302 CA ARG A 20 0.497 -3.749 8.625 1.00 0.00 C ATOM 303 C ARG A 20 1.426 -2.609 9.054 1.00 0.00 C ATOM 304 O ARG A 20 1.667 -2.400 10.226 1.00 0.00 O ATOM 305 CB ARG A 20 -0.907 -3.543 9.193 1.00 0.00 C ATOM 306 CG ARG A 20 -1.707 -4.841 9.051 1.00 0.00 C ATOM 307 CD ARG A 20 -3.091 -4.662 9.677 1.00 0.00 C ATOM 308 NE ARG A 20 -3.148 -5.667 10.776 1.00 0.00 N ATOM 309 CZ ARG A 20 -4.295 -6.166 11.144 1.00 0.00 C ATOM 310 NH1 ARG A 20 -5.378 -5.443 11.063 1.00 0.00 N ATOM 311 NH2 ARG A 20 -4.359 -7.390 11.594 1.00 0.00 N ATOM 0 H ARG A 20 0.576 -5.263 10.127 1.00 0.00 H new ATOM 0 HA ARG A 20 0.498 -3.763 7.535 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.848 -3.252 10.242 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.410 -2.733 8.665 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.805 -5.107 7.998 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.179 -5.660 9.539 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.224 -3.650 10.060 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.881 -4.832 8.945 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.290 -5.964 11.240 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.328 -4.487 10.712 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.275 -5.834 11.351 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.512 -7.955 11.657 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.256 -7.781 11.882 1.00 0.00 H new ATOM 325 N VAL A 21 1.950 -1.872 8.112 1.00 0.00 N ATOM 326 CA VAL A 21 2.866 -0.748 8.465 1.00 0.00 C ATOM 327 C VAL A 21 2.829 0.319 7.371 1.00 0.00 C ATOM 328 O VAL A 21 2.060 0.233 6.433 1.00 0.00 O ATOM 329 CB VAL A 21 4.259 -1.376 8.560 1.00 0.00 C ATOM 330 CG1 VAL A 21 4.401 -2.107 9.896 1.00 0.00 C ATOM 331 CG2 VAL A 21 4.456 -2.371 7.412 1.00 0.00 C ATOM 0 H VAL A 21 1.784 -1.999 7.114 1.00 0.00 H new ATOM 0 HA VAL A 21 2.581 -0.261 9.397 1.00 0.00 H new ATOM 0 HB VAL A 21 5.012 -0.591 8.492 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.393 -2.554 9.963 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.266 -1.399 10.714 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.645 -2.890 9.965 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.448 -2.816 7.483 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.701 -3.155 7.476 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.359 -1.851 6.459 1.00 0.00 H new ATOM 341 N LYS A 22 3.650 1.326 7.480 1.00 0.00 N ATOM 342 CA LYS A 22 3.655 2.397 6.443 1.00 0.00 C ATOM 343 C LYS A 22 4.946 2.339 5.623 1.00 0.00 C ATOM 344 O LYS A 22 6.019 2.626 6.113 1.00 0.00 O ATOM 345 CB LYS A 22 3.572 3.707 7.224 1.00 0.00 C ATOM 346 CG LYS A 22 2.803 4.740 6.399 1.00 0.00 C ATOM 347 CD LYS A 22 1.322 4.363 6.357 1.00 0.00 C ATOM 348 CE LYS A 22 0.627 4.879 7.618 1.00 0.00 C ATOM 349 NZ LYS A 22 -0.671 4.153 7.665 1.00 0.00 N ATOM 0 H LYS A 22 4.317 1.454 8.241 1.00 0.00 H new ATOM 0 HA LYS A 22 2.830 2.291 5.738 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.073 3.543 8.179 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.574 4.075 7.447 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.924 5.732 6.835 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.206 4.785 5.387 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.853 4.789 5.470 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.213 3.281 6.286 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.224 4.679 8.508 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.475 5.957 7.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.450 4.838 7.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.786 3.591 6.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.686 3.522 8.491 1.00 0.00 H new ATOM 363 N ILE A 23 4.849 1.970 4.374 1.00 0.00 N ATOM 364 CA ILE A 23 6.069 1.893 3.521 1.00 0.00 C ATOM 365 C ILE A 23 6.849 3.209 3.592 1.00 0.00 C ATOM 366 O ILE A 23 8.046 3.245 3.388 1.00 0.00 O ATOM 367 CB ILE A 23 5.546 1.651 2.105 1.00 0.00 C ATOM 368 CG1 ILE A 23 6.727 1.471 1.150 1.00 0.00 C ATOM 369 CG2 ILE A 23 4.708 2.850 1.658 1.00 0.00 C ATOM 370 CD1 ILE A 23 6.241 0.821 -0.147 1.00 0.00 C ATOM 0 H ILE A 23 3.977 1.719 3.908 1.00 0.00 H new ATOM 0 HA ILE A 23 6.750 1.105 3.843 1.00 0.00 H new ATOM 0 HB ILE A 23 4.929 0.753 2.095 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.185 2.436 0.936 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.493 0.851 1.615 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.335 2.677 0.648 1.00 0.00 H new ATOM 0 HG22 ILE A 23 3.866 2.980 2.338 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.324 3.749 1.668 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.083 0.693 -0.827 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.803 -0.152 0.076 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.490 1.458 -0.614 1.00 0.00 H new ATOM 382 N GLN A 24 6.179 4.293 3.881 1.00 0.00 N ATOM 383 CA GLN A 24 6.887 5.604 3.967 1.00 0.00 C ATOM 384 C GLN A 24 7.734 5.663 5.241 1.00 0.00 C ATOM 385 O GLN A 24 8.589 6.512 5.392 1.00 0.00 O ATOM 386 CB GLN A 24 5.776 6.655 4.009 1.00 0.00 C ATOM 387 CG GLN A 24 4.941 6.467 5.278 1.00 0.00 C ATOM 388 CD GLN A 24 5.206 7.628 6.240 1.00 0.00 C ATOM 389 OE1 GLN A 24 5.905 8.563 5.904 1.00 0.00 O ATOM 390 NE2 GLN A 24 4.674 7.607 7.431 1.00 0.00 N ATOM 0 H GLN A 24 5.176 4.328 4.061 1.00 0.00 H new ATOM 0 HA GLN A 24 7.564 5.764 3.128 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.207 7.656 3.990 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.142 6.564 3.127 1.00 0.00 H new ATOM 0 HG2 GLN A 24 3.881 6.424 5.026 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.194 5.520 5.755 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.087 6.822 7.714 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.845 8.375 8.080 1.00 0.00 H new ATOM 399 N GLU A 25 7.503 4.764 6.159 1.00 0.00 N ATOM 400 CA GLU A 25 8.295 4.766 7.422 1.00 0.00 C ATOM 401 C GLU A 25 9.202 3.533 7.477 1.00 0.00 C ATOM 402 O GLU A 25 10.412 3.639 7.438 1.00 0.00 O ATOM 403 CB GLU A 25 7.257 4.723 8.541 1.00 0.00 C ATOM 404 CG GLU A 25 6.624 6.106 8.703 1.00 0.00 C ATOM 405 CD GLU A 25 7.181 6.782 9.957 1.00 0.00 C ATOM 406 OE1 GLU A 25 7.979 6.160 10.639 1.00 0.00 O ATOM 407 OE2 GLU A 25 6.801 7.913 10.215 1.00 0.00 O ATOM 0 H GLU A 25 6.800 4.028 6.089 1.00 0.00 H new ATOM 0 HA GLU A 25 8.942 5.639 7.504 1.00 0.00 H new ATOM 0 HB2 GLU A 25 6.489 3.985 8.311 1.00 0.00 H new ATOM 0 HB3 GLU A 25 7.726 4.414 9.475 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.832 6.717 7.825 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.540 6.015 8.778 1.00 0.00 H new ATOM 414 N LYS A 26 8.627 2.364 7.565 1.00 0.00 N ATOM 415 CA LYS A 26 9.462 1.129 7.617 1.00 0.00 C ATOM 416 C LYS A 26 10.539 1.186 6.532 1.00 0.00 C ATOM 417 O LYS A 26 11.684 0.847 6.759 1.00 0.00 O ATOM 418 CB LYS A 26 8.491 -0.021 7.349 1.00 0.00 C ATOM 419 CG LYS A 26 9.279 -1.306 7.087 1.00 0.00 C ATOM 420 CD LYS A 26 8.914 -2.354 8.141 1.00 0.00 C ATOM 421 CE LYS A 26 10.192 -2.984 8.701 1.00 0.00 C ATOM 422 NZ LYS A 26 9.765 -3.679 9.948 1.00 0.00 N ATOM 0 H LYS A 26 7.619 2.211 7.603 1.00 0.00 H new ATOM 0 HA LYS A 26 9.972 1.012 8.573 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.827 -0.157 8.203 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.862 0.213 6.490 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.056 -1.685 6.090 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.349 -1.101 7.118 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.341 -1.892 8.945 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.280 -3.123 7.700 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.631 -3.684 7.990 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.947 -2.226 8.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.588 -4.136 10.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.357 -2.987 10.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.052 -4.400 9.717 1.00 0.00 H new ATOM 436 N PHE A 27 10.178 1.620 5.356 1.00 0.00 N ATOM 437 CA PHE A 27 11.176 1.710 4.253 1.00 0.00 C ATOM 438 C PHE A 27 11.482 3.178 3.948 1.00 0.00 C ATOM 439 O PHE A 27 11.556 3.583 2.805 1.00 0.00 O ATOM 440 CB PHE A 27 10.506 1.038 3.052 1.00 0.00 C ATOM 441 CG PHE A 27 10.620 -0.462 3.186 1.00 0.00 C ATOM 442 CD1 PHE A 27 11.835 -1.042 3.574 1.00 0.00 C ATOM 443 CD2 PHE A 27 9.511 -1.275 2.922 1.00 0.00 C ATOM 444 CE1 PHE A 27 11.939 -2.432 3.699 1.00 0.00 C ATOM 445 CE2 PHE A 27 9.616 -2.666 3.047 1.00 0.00 C ATOM 446 CZ PHE A 27 10.829 -3.244 3.435 1.00 0.00 C ATOM 0 H PHE A 27 9.233 1.917 5.111 1.00 0.00 H new ATOM 0 HA PHE A 27 12.122 1.231 4.507 1.00 0.00 H new ATOM 0 HB2 PHE A 27 9.457 1.330 2.996 1.00 0.00 H new ATOM 0 HB3 PHE A 27 10.978 1.368 2.127 1.00 0.00 H new ATOM 0 HD1 PHE A 27 12.692 -0.416 3.777 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.574 -0.829 2.622 1.00 0.00 H new ATOM 0 HE1 PHE A 27 12.875 -2.879 3.999 1.00 0.00 H new ATOM 0 HE2 PHE A 27 8.760 -3.292 2.844 1.00 0.00 H new ATOM 0 HZ PHE A 27 10.910 -4.317 3.531 1.00 0.00 H new ATOM 456 N LYS A 28 11.663 3.978 4.963 1.00 0.00 N ATOM 457 CA LYS A 28 11.966 5.416 4.733 1.00 0.00 C ATOM 458 C LYS A 28 13.234 5.537 3.879 1.00 0.00 C ATOM 459 O LYS A 28 13.448 6.524 3.203 1.00 0.00 O ATOM 460 CB LYS A 28 12.159 5.997 6.142 1.00 0.00 C ATOM 461 CG LYS A 28 13.173 7.141 6.115 1.00 0.00 C ATOM 462 CD LYS A 28 14.581 6.552 6.122 1.00 0.00 C ATOM 463 CE LYS A 28 15.497 7.428 6.979 1.00 0.00 C ATOM 464 NZ LYS A 28 15.242 6.999 8.384 1.00 0.00 N ATOM 0 H LYS A 28 11.614 3.696 5.942 1.00 0.00 H new ATOM 0 HA LYS A 28 11.183 5.949 4.194 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.205 6.358 6.527 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.501 5.216 6.820 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.025 7.755 5.227 1.00 0.00 H new ATOM 0 HG3 LYS A 28 13.032 7.791 6.979 1.00 0.00 H new ATOM 0 HD2 LYS A 28 14.560 5.536 6.516 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.966 6.491 5.104 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.543 7.288 6.708 1.00 0.00 H new ATOM 0 HE3 LYS A 28 15.271 8.486 6.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.907 7.483 9.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.267 7.244 8.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.374 5.970 8.462 1.00 0.00 H new ATOM 478 N ASN A 29 14.065 4.532 3.896 1.00 0.00 N ATOM 479 CA ASN A 29 15.309 4.574 3.076 1.00 0.00 C ATOM 480 C ASN A 29 15.120 3.715 1.825 1.00 0.00 C ATOM 481 O ASN A 29 16.008 2.997 1.411 1.00 0.00 O ATOM 482 CB ASN A 29 16.398 3.982 3.970 1.00 0.00 C ATOM 483 CG ASN A 29 16.834 5.021 5.004 1.00 0.00 C ATOM 484 OD1 ASN A 29 16.625 4.788 6.271 1.00 0.00 O flip ATOM 485 ND2 ASN A 29 17.371 6.053 4.655 1.00 0.00 N flip ATOM 0 H ASN A 29 13.936 3.681 4.444 1.00 0.00 H new ATOM 0 HA ASN A 29 15.562 5.582 2.749 1.00 0.00 H new ATOM 0 HB2 ASN A 29 16.025 3.089 4.472 1.00 0.00 H new ATOM 0 HB3 ASN A 29 17.252 3.675 3.366 1.00 0.00 H new ATOM 0 HD21 ASN A 29 17.534 6.234 3.664 1.00 0.00 H new ATOM 0 HD22 ASN A 29 17.659 6.739 5.353 1.00 0.00 H new ATOM 492 N GLY A 30 13.960 3.773 1.230 1.00 0.00 N ATOM 493 CA GLY A 30 13.705 2.948 0.018 1.00 0.00 C ATOM 494 C GLY A 30 13.430 1.508 0.449 1.00 0.00 C ATOM 495 O GLY A 30 13.754 1.112 1.551 1.00 0.00 O ATOM 0 H GLY A 30 13.179 4.356 1.531 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.854 3.345 -0.536 1.00 0.00 H new ATOM 0 HA3 GLY A 30 14.565 2.984 -0.650 1.00 0.00 H new ATOM 499 N MET A 31 12.838 0.719 -0.402 1.00 0.00 N ATOM 500 CA MET A 31 12.552 -0.694 -0.022 1.00 0.00 C ATOM 501 C MET A 31 13.616 -1.619 -0.619 1.00 0.00 C ATOM 502 O MET A 31 14.183 -1.338 -1.655 1.00 0.00 O ATOM 503 CB MET A 31 11.173 -1.000 -0.610 1.00 0.00 C ATOM 504 CG MET A 31 10.229 0.175 -0.340 1.00 0.00 C ATOM 505 SD MET A 31 9.699 0.897 -1.913 1.00 0.00 S ATOM 506 CE MET A 31 8.654 -0.478 -2.452 1.00 0.00 C ATOM 0 H MET A 31 12.541 0.988 -1.340 1.00 0.00 H new ATOM 0 HA MET A 31 12.567 -0.845 1.057 1.00 0.00 H new ATOM 0 HB2 MET A 31 11.254 -1.176 -1.683 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.772 -1.912 -0.167 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.362 -0.164 0.227 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.732 0.928 0.267 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.734 -0.087 -2.887 1.00 0.00 H new ATOM 0 HE2 MET A 31 9.186 -1.068 -3.198 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.412 -1.108 -1.596 1.00 0.00 H new ATOM 516 N LEU A 32 13.901 -2.715 0.028 1.00 0.00 N ATOM 517 CA LEU A 32 14.937 -3.644 -0.507 1.00 0.00 C ATOM 518 C LEU A 32 14.439 -4.318 -1.787 1.00 0.00 C ATOM 519 O LEU A 32 13.264 -4.577 -1.951 1.00 0.00 O ATOM 520 CB LEU A 32 15.156 -4.681 0.593 1.00 0.00 C ATOM 521 CG LEU A 32 15.768 -4.001 1.820 1.00 0.00 C ATOM 522 CD1 LEU A 32 15.173 -4.605 3.093 1.00 0.00 C ATOM 523 CD2 LEU A 32 17.283 -4.216 1.814 1.00 0.00 C ATOM 0 H LEU A 32 13.463 -3.007 0.902 1.00 0.00 H new ATOM 0 HA LEU A 32 15.859 -3.122 -0.762 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.209 -5.151 0.859 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.815 -5.472 0.236 1.00 0.00 H new ATOM 0 HG LEU A 32 15.549 -2.934 1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.610 -4.119 3.965 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.093 -4.454 3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.390 -5.673 3.125 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.723 -3.733 2.687 1.00 0.00 H new ATOM 0 HD22 LEU A 32 17.499 -5.284 1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 32 17.708 -3.784 0.908 1.00 0.00 H new ATOM 535 N HIS A 33 15.331 -4.603 -2.695 1.00 0.00 N ATOM 536 CA HIS A 33 14.919 -5.261 -3.970 1.00 0.00 C ATOM 537 C HIS A 33 14.226 -6.596 -3.680 1.00 0.00 C ATOM 538 O HIS A 33 14.667 -7.369 -2.853 1.00 0.00 O ATOM 539 CB HIS A 33 16.221 -5.489 -4.737 1.00 0.00 C ATOM 540 CG HIS A 33 15.980 -6.452 -5.868 1.00 0.00 C ATOM 541 ND1 HIS A 33 14.783 -6.487 -6.566 1.00 0.00 N ATOM 542 CD2 HIS A 33 16.772 -7.420 -6.435 1.00 0.00 C ATOM 543 CE1 HIS A 33 14.886 -7.446 -7.503 1.00 0.00 C ATOM 544 NE2 HIS A 33 16.079 -8.046 -7.468 1.00 0.00 N ATOM 0 H HIS A 33 16.329 -4.409 -2.610 1.00 0.00 H new ATOM 0 HA HIS A 33 14.212 -4.654 -4.536 1.00 0.00 H new ATOM 0 HB2 HIS A 33 16.596 -4.542 -5.126 1.00 0.00 H new ATOM 0 HB3 HIS A 33 16.985 -5.883 -4.067 1.00 0.00 H new ATOM 0 HD2 HIS A 33 17.779 -7.659 -6.127 1.00 0.00 H new ATOM 0 HE1 HIS A 33 14.100 -7.700 -8.199 1.00 0.00 H new ATOM 0 HE2 HIS A 33 16.411 -8.800 -8.069 1.00 0.00 H new ATOM 552 N GLY A 34 13.147 -6.873 -4.359 1.00 0.00 N ATOM 553 CA GLY A 34 12.429 -8.159 -4.127 1.00 0.00 C ATOM 554 C GLY A 34 11.419 -7.997 -2.989 1.00 0.00 C ATOM 555 O GLY A 34 10.480 -8.759 -2.869 1.00 0.00 O ATOM 0 H GLY A 34 12.731 -6.265 -5.064 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.916 -8.468 -5.038 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.143 -8.945 -3.881 1.00 0.00 H new ATOM 559 N ASP A 35 11.601 -7.013 -2.150 1.00 0.00 N ATOM 560 CA ASP A 35 10.648 -6.810 -1.021 1.00 0.00 C ATOM 561 C ASP A 35 9.207 -6.985 -1.508 1.00 0.00 C ATOM 562 O ASP A 35 8.780 -6.351 -2.452 1.00 0.00 O ATOM 563 CB ASP A 35 10.883 -5.372 -0.556 1.00 0.00 C ATOM 564 CG ASP A 35 9.857 -5.007 0.519 1.00 0.00 C ATOM 565 OD1 ASP A 35 9.793 -5.712 1.513 1.00 0.00 O ATOM 566 OD2 ASP A 35 9.153 -4.030 0.330 1.00 0.00 O ATOM 0 H ASP A 35 12.367 -6.342 -2.197 1.00 0.00 H new ATOM 0 HA ASP A 35 10.803 -7.529 -0.217 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.893 -5.268 -0.160 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.800 -4.688 -1.400 1.00 0.00 H new ATOM 571 N LYS A 36 8.452 -7.840 -0.872 1.00 0.00 N ATOM 572 CA LYS A 36 7.039 -8.048 -1.305 1.00 0.00 C ATOM 573 C LYS A 36 6.076 -7.445 -0.280 1.00 0.00 C ATOM 574 O LYS A 36 6.099 -7.784 0.885 1.00 0.00 O ATOM 575 CB LYS A 36 6.859 -9.562 -1.378 1.00 0.00 C ATOM 576 CG LYS A 36 7.215 -10.056 -2.781 1.00 0.00 C ATOM 577 CD LYS A 36 6.208 -11.122 -3.219 1.00 0.00 C ATOM 578 CE LYS A 36 6.734 -12.509 -2.844 1.00 0.00 C ATOM 579 NZ LYS A 36 7.341 -13.041 -4.096 1.00 0.00 N ATOM 0 H LYS A 36 8.750 -8.402 -0.075 1.00 0.00 H new ATOM 0 HA LYS A 36 6.830 -7.568 -2.261 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.494 -10.050 -0.638 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.829 -9.828 -1.139 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.207 -9.223 -3.484 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.224 -10.469 -2.787 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.245 -10.945 -2.740 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.045 -11.062 -4.295 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.470 -12.449 -2.043 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.930 -13.154 -2.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.725 -13.991 -3.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.615 -13.093 -4.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.108 -12.410 -4.405 1.00 0.00 H new ATOM 593 N VAL A 37 5.227 -6.556 -0.712 1.00 0.00 N ATOM 594 CA VAL A 37 4.254 -5.929 0.231 1.00 0.00 C ATOM 595 C VAL A 37 2.890 -5.774 -0.448 1.00 0.00 C ATOM 596 O VAL A 37 2.801 -5.427 -1.609 1.00 0.00 O ATOM 597 CB VAL A 37 4.850 -4.562 0.568 1.00 0.00 C ATOM 598 CG1 VAL A 37 6.250 -4.747 1.157 1.00 0.00 C ATOM 599 CG2 VAL A 37 4.943 -3.716 -0.704 1.00 0.00 C ATOM 0 H VAL A 37 5.163 -6.235 -1.678 1.00 0.00 H new ATOM 0 HA VAL A 37 4.096 -6.531 1.126 1.00 0.00 H new ATOM 0 HB VAL A 37 4.212 -4.058 1.294 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.675 -3.773 1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 37 6.187 -5.349 2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.887 -5.251 0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 37 5.368 -2.742 -0.463 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.580 -4.220 -1.430 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.947 -3.583 -1.126 1.00 0.00 H new ATOM 609 N SER A 38 1.828 -6.034 0.264 1.00 0.00 N ATOM 610 CA SER A 38 0.473 -5.910 -0.347 1.00 0.00 C ATOM 611 C SER A 38 -0.191 -4.596 0.075 1.00 0.00 C ATOM 612 O SER A 38 -0.014 -4.124 1.181 1.00 0.00 O ATOM 613 CB SER A 38 -0.314 -7.102 0.197 1.00 0.00 C ATOM 614 OG SER A 38 0.587 -8.164 0.484 1.00 0.00 O ATOM 0 H SER A 38 1.839 -6.327 1.241 1.00 0.00 H new ATOM 0 HA SER A 38 0.515 -5.905 -1.436 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.856 -6.815 1.098 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.057 -7.426 -0.532 1.00 0.00 H new ATOM 0 HG SER A 38 0.088 -8.931 0.835 1.00 0.00 H new ATOM 620 N PHE A 39 -0.961 -4.005 -0.799 1.00 0.00 N ATOM 621 CA PHE A 39 -1.647 -2.727 -0.452 1.00 0.00 C ATOM 622 C PHE A 39 -3.120 -3.000 -0.134 1.00 0.00 C ATOM 623 O PHE A 39 -3.705 -3.937 -0.634 1.00 0.00 O ATOM 624 CB PHE A 39 -1.516 -1.856 -1.701 1.00 0.00 C ATOM 625 CG PHE A 39 -0.117 -1.295 -1.775 1.00 0.00 C ATOM 626 CD1 PHE A 39 0.210 -0.138 -1.058 1.00 0.00 C ATOM 627 CD2 PHE A 39 0.855 -1.931 -2.558 1.00 0.00 C ATOM 628 CE1 PHE A 39 1.508 0.383 -1.123 1.00 0.00 C ATOM 629 CE2 PHE A 39 2.153 -1.410 -2.623 1.00 0.00 C ATOM 630 CZ PHE A 39 2.479 -0.253 -1.906 1.00 0.00 C ATOM 0 H PHE A 39 -1.145 -4.353 -1.740 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.214 -2.243 0.424 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.731 -2.445 -2.593 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.244 -1.045 -1.671 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -0.539 0.353 -0.455 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.603 -2.823 -3.112 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.760 1.275 -0.569 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.902 -1.901 -3.226 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.480 0.149 -1.957 1.00 0.00 H new ATOM 640 N PHE A 40 -3.723 -2.199 0.698 1.00 0.00 N ATOM 641 CA PHE A 40 -5.154 -2.440 1.040 1.00 0.00 C ATOM 642 C PHE A 40 -6.078 -1.788 0.008 1.00 0.00 C ATOM 643 O PHE A 40 -5.917 -0.638 -0.349 1.00 0.00 O ATOM 644 CB PHE A 40 -5.352 -1.797 2.413 1.00 0.00 C ATOM 645 CG PHE A 40 -4.725 -2.666 3.476 1.00 0.00 C ATOM 646 CD1 PHE A 40 -5.326 -3.879 3.833 1.00 0.00 C ATOM 647 CD2 PHE A 40 -3.544 -2.258 4.107 1.00 0.00 C ATOM 648 CE1 PHE A 40 -4.745 -4.684 4.820 1.00 0.00 C ATOM 649 CE2 PHE A 40 -2.964 -3.063 5.095 1.00 0.00 C ATOM 650 CZ PHE A 40 -3.564 -4.276 5.452 1.00 0.00 C ATOM 0 H PHE A 40 -3.293 -1.394 1.153 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.393 -3.503 1.046 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.902 -0.804 2.429 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.415 -1.668 2.615 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.238 -4.194 3.347 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.080 -1.322 3.832 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.208 -5.620 5.094 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.053 -2.748 5.582 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.117 -4.897 6.214 1.00 0.00 H new ATOM 660 N CYS A 41 -7.054 -2.515 -0.462 1.00 0.00 N ATOM 661 CA CYS A 41 -8.004 -1.947 -1.460 1.00 0.00 C ATOM 662 C CYS A 41 -9.425 -2.426 -1.144 1.00 0.00 C ATOM 663 O CYS A 41 -9.634 -3.207 -0.236 1.00 0.00 O ATOM 664 CB CYS A 41 -7.541 -2.487 -2.813 1.00 0.00 C ATOM 665 SG CYS A 41 -7.682 -1.185 -4.063 1.00 0.00 S ATOM 0 H CYS A 41 -7.235 -3.483 -0.196 1.00 0.00 H new ATOM 0 HA CYS A 41 -8.018 -0.857 -1.450 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.509 -2.831 -2.745 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.146 -3.348 -3.099 1.00 0.00 H new ATOM 670 N LYS A 42 -10.403 -1.967 -1.875 1.00 0.00 N ATOM 671 CA LYS A 42 -11.800 -2.409 -1.596 1.00 0.00 C ATOM 672 C LYS A 42 -12.447 -2.978 -2.857 1.00 0.00 C ATOM 673 O LYS A 42 -12.089 -2.633 -3.966 1.00 0.00 O ATOM 674 CB LYS A 42 -12.540 -1.152 -1.143 1.00 0.00 C ATOM 675 CG LYS A 42 -12.604 -0.154 -2.299 1.00 0.00 C ATOM 676 CD LYS A 42 -12.702 1.266 -1.740 1.00 0.00 C ATOM 677 CE LYS A 42 -11.384 2.004 -1.986 1.00 0.00 C ATOM 678 NZ LYS A 42 -11.371 2.291 -3.447 1.00 0.00 N ATOM 0 H LYS A 42 -10.298 -1.310 -2.648 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.830 -3.195 -0.842 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.547 -1.409 -0.814 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.030 -0.704 -0.290 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.717 -0.249 -2.926 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.466 -0.368 -2.931 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.524 1.800 -2.216 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.919 1.234 -0.672 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.331 2.923 -1.403 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.529 1.393 -1.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.837 3.166 -3.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.919 1.502 -3.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.347 2.406 -3.787 1.00 0.00 H new ATOM 692 N ASN A 43 -13.402 -3.848 -2.692 1.00 0.00 N ATOM 693 CA ASN A 43 -14.083 -4.446 -3.875 1.00 0.00 C ATOM 694 C ASN A 43 -15.561 -4.045 -3.890 1.00 0.00 C ATOM 695 O ASN A 43 -16.346 -4.501 -3.083 1.00 0.00 O ATOM 696 CB ASN A 43 -13.940 -5.957 -3.697 1.00 0.00 C ATOM 697 CG ASN A 43 -14.061 -6.644 -5.058 1.00 0.00 C ATOM 698 OD1 ASN A 43 -14.212 -5.988 -6.070 1.00 0.00 O ATOM 699 ND2 ASN A 43 -14.000 -7.946 -5.128 1.00 0.00 N ATOM 0 H ASN A 43 -13.742 -4.172 -1.787 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.650 -4.106 -4.816 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -12.977 -6.191 -3.244 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -14.709 -6.329 -3.020 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -14.079 -8.412 -6.032 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -13.873 -8.497 -4.279 1.00 0.00 H new ATOM 706 N LYS A 44 -15.945 -3.197 -4.805 1.00 0.00 N ATOM 707 CA LYS A 44 -17.371 -2.766 -4.872 1.00 0.00 C ATOM 708 C LYS A 44 -18.257 -3.931 -5.325 1.00 0.00 C ATOM 709 O LYS A 44 -19.464 -3.891 -5.196 1.00 0.00 O ATOM 710 CB LYS A 44 -17.395 -1.639 -5.905 1.00 0.00 C ATOM 711 CG LYS A 44 -17.453 -0.290 -5.186 1.00 0.00 C ATOM 712 CD LYS A 44 -16.188 0.512 -5.501 1.00 0.00 C ATOM 713 CE LYS A 44 -15.725 1.247 -4.243 1.00 0.00 C ATOM 714 NZ LYS A 44 -15.283 2.586 -4.723 1.00 0.00 N ATOM 0 H LYS A 44 -15.333 -2.784 -5.509 1.00 0.00 H new ATOM 0 HA LYS A 44 -17.750 -2.439 -3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.507 -1.690 -6.535 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -18.258 -1.751 -6.561 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -18.336 0.265 -5.502 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -17.541 -0.443 -4.110 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.401 -0.154 -5.857 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.387 1.226 -6.300 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.533 1.335 -3.517 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.911 0.715 -3.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.950 3.152 -3.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.509 2.471 -5.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.081 3.072 -5.180 1.00 0.00 H new ATOM 728 N GLU A 45 -17.666 -4.967 -5.855 1.00 0.00 N ATOM 729 CA GLU A 45 -18.475 -6.132 -6.316 1.00 0.00 C ATOM 730 C GLU A 45 -18.706 -7.105 -5.156 1.00 0.00 C ATOM 731 O GLU A 45 -19.765 -7.687 -5.022 1.00 0.00 O ATOM 732 CB GLU A 45 -17.633 -6.790 -7.409 1.00 0.00 C ATOM 733 CG GLU A 45 -18.481 -6.958 -8.672 1.00 0.00 C ATOM 734 CD GLU A 45 -18.313 -5.730 -9.569 1.00 0.00 C ATOM 735 OE1 GLU A 45 -17.231 -5.167 -9.572 1.00 0.00 O ATOM 736 OE2 GLU A 45 -19.270 -5.373 -10.235 1.00 0.00 O ATOM 0 H GLU A 45 -16.659 -5.057 -5.989 1.00 0.00 H new ATOM 0 HA GLU A 45 -19.458 -5.835 -6.682 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.756 -6.180 -7.625 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.270 -7.760 -7.069 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.178 -7.857 -9.209 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -19.530 -7.085 -8.404 1.00 0.00 H new ATOM 743 N LYS A 46 -17.724 -7.284 -4.315 1.00 0.00 N ATOM 744 CA LYS A 46 -17.888 -8.216 -3.162 1.00 0.00 C ATOM 745 C LYS A 46 -18.199 -7.425 -1.888 1.00 0.00 C ATOM 746 O LYS A 46 -18.576 -7.983 -0.877 1.00 0.00 O ATOM 747 CB LYS A 46 -16.543 -8.931 -3.034 1.00 0.00 C ATOM 748 CG LYS A 46 -16.299 -9.787 -4.277 1.00 0.00 C ATOM 749 CD LYS A 46 -16.694 -11.235 -3.982 1.00 0.00 C ATOM 750 CE LYS A 46 -17.387 -11.834 -5.207 1.00 0.00 C ATOM 751 NZ LYS A 46 -17.472 -13.293 -4.922 1.00 0.00 N ATOM 0 H LYS A 46 -16.815 -6.825 -4.376 1.00 0.00 H new ATOM 0 HA LYS A 46 -18.708 -8.918 -3.311 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -15.741 -8.202 -2.919 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -16.535 -9.557 -2.142 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -16.880 -9.404 -5.116 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -15.249 -9.737 -4.567 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -15.810 -11.820 -3.729 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -17.359 -11.273 -3.119 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -18.377 -11.401 -5.352 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -16.818 -11.641 -6.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -17.936 -13.776 -5.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -16.514 -13.678 -4.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -18.025 -13.446 -4.054 1.00 0.00 H new ATOM 765 N LYS A 47 -18.042 -6.131 -1.939 1.00 0.00 N ATOM 766 CA LYS A 47 -18.325 -5.284 -0.745 1.00 0.00 C ATOM 767 C LYS A 47 -17.313 -5.568 0.369 1.00 0.00 C ATOM 768 O LYS A 47 -17.615 -5.441 1.539 1.00 0.00 O ATOM 769 CB LYS A 47 -19.738 -5.662 -0.291 1.00 0.00 C ATOM 770 CG LYS A 47 -20.686 -5.714 -1.494 1.00 0.00 C ATOM 771 CD LYS A 47 -21.583 -6.949 -1.379 1.00 0.00 C ATOM 772 CE LYS A 47 -22.765 -6.818 -2.343 1.00 0.00 C ATOM 773 NZ LYS A 47 -23.813 -6.094 -1.572 1.00 0.00 N ATOM 0 H LYS A 47 -17.727 -5.620 -2.763 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.249 -4.223 -0.982 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -19.720 -6.630 0.209 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -20.101 -4.935 0.436 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -21.295 -4.811 -1.531 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -20.114 -5.751 -2.421 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -21.012 -7.848 -1.609 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -21.945 -7.054 -0.356 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -22.483 -6.267 -3.240 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -23.119 -7.796 -2.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -24.656 -5.966 -2.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -24.066 -6.646 -0.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -23.450 -5.164 -1.282 1.00 0.00 H new ATOM 787 N CYS A 48 -16.114 -5.945 0.020 1.00 0.00 N ATOM 788 CA CYS A 48 -15.089 -6.226 1.071 1.00 0.00 C ATOM 789 C CYS A 48 -13.727 -5.709 0.617 1.00 0.00 C ATOM 790 O CYS A 48 -13.546 -5.315 -0.518 1.00 0.00 O ATOM 791 CB CYS A 48 -15.024 -7.753 1.275 1.00 0.00 C ATOM 792 SG CYS A 48 -16.114 -8.640 0.120 1.00 0.00 S ATOM 0 H CYS A 48 -15.798 -6.071 -0.942 1.00 0.00 H new ATOM 0 HA CYS A 48 -15.356 -5.728 2.003 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -13.998 -8.094 1.139 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -15.307 -7.995 2.299 1.00 0.00 H new ATOM 797 N SER A 49 -12.767 -5.709 1.496 1.00 0.00 N ATOM 798 CA SER A 49 -11.415 -5.218 1.111 1.00 0.00 C ATOM 799 C SER A 49 -10.432 -6.382 1.009 1.00 0.00 C ATOM 800 O SER A 49 -10.690 -7.473 1.478 1.00 0.00 O ATOM 801 CB SER A 49 -10.998 -4.273 2.232 1.00 0.00 C ATOM 802 OG SER A 49 -11.618 -4.677 3.445 1.00 0.00 O ATOM 0 H SER A 49 -12.858 -6.026 2.461 1.00 0.00 H new ATOM 0 HA SER A 49 -11.425 -4.723 0.140 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.914 -4.281 2.345 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.286 -3.251 1.987 1.00 0.00 H new ATOM 0 HG SER A 49 -10.935 -4.998 4.070 1.00 0.00 H new ATOM 808 N TYR A 50 -9.304 -6.149 0.405 1.00 0.00 N ATOM 809 CA TYR A 50 -8.287 -7.231 0.270 1.00 0.00 C ATOM 810 C TYR A 50 -6.889 -6.618 0.160 1.00 0.00 C ATOM 811 O TYR A 50 -6.708 -5.433 0.356 1.00 0.00 O ATOM 812 CB TYR A 50 -8.661 -7.977 -1.012 1.00 0.00 C ATOM 813 CG TYR A 50 -8.963 -6.985 -2.110 1.00 0.00 C ATOM 814 CD1 TYR A 50 -10.239 -6.415 -2.211 1.00 0.00 C ATOM 815 CD2 TYR A 50 -7.969 -6.639 -3.030 1.00 0.00 C ATOM 816 CE1 TYR A 50 -10.516 -5.499 -3.233 1.00 0.00 C ATOM 817 CE2 TYR A 50 -8.246 -5.724 -4.052 1.00 0.00 C ATOM 818 CZ TYR A 50 -9.520 -5.154 -4.154 1.00 0.00 C ATOM 819 OH TYR A 50 -9.795 -4.252 -5.162 1.00 0.00 O ATOM 0 H TYR A 50 -9.039 -5.253 -0.004 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.273 -7.901 1.130 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.843 -8.631 -1.315 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -9.529 -8.612 -0.834 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -11.008 -6.682 -1.501 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.986 -7.079 -2.952 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -11.499 -5.058 -3.311 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.477 -5.458 -4.762 1.00 0.00 H new ATOM 0 HH TYR A 50 -9.021 -3.666 -5.297 1.00 0.00 H new ATOM 829 N THR A 51 -5.897 -7.409 -0.146 1.00 0.00 N ATOM 830 CA THR A 51 -4.518 -6.849 -0.258 1.00 0.00 C ATOM 831 C THR A 51 -3.941 -7.098 -1.651 1.00 0.00 C ATOM 832 O THR A 51 -4.186 -8.115 -2.269 1.00 0.00 O ATOM 833 CB THR A 51 -3.692 -7.588 0.794 1.00 0.00 C ATOM 834 OG1 THR A 51 -3.963 -8.981 0.717 1.00 0.00 O ATOM 835 CG2 THR A 51 -4.050 -7.071 2.187 1.00 0.00 C ATOM 0 H THR A 51 -5.979 -8.410 -0.322 1.00 0.00 H new ATOM 0 HA THR A 51 -4.512 -5.770 -0.102 1.00 0.00 H new ATOM 0 HB THR A 51 -2.632 -7.414 0.609 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.432 -9.455 1.390 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.459 -7.600 2.935 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.837 -6.004 2.245 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.110 -7.240 2.376 1.00 0.00 H new ATOM 843 N GLU A 52 -3.164 -6.175 -2.139 1.00 0.00 N ATOM 844 CA GLU A 52 -2.544 -6.344 -3.485 1.00 0.00 C ATOM 845 C GLU A 52 -1.028 -6.473 -3.329 1.00 0.00 C ATOM 846 O GLU A 52 -0.311 -5.492 -3.290 1.00 0.00 O ATOM 847 CB GLU A 52 -2.903 -5.072 -4.254 1.00 0.00 C ATOM 848 CG GLU A 52 -4.306 -5.214 -4.847 1.00 0.00 C ATOM 849 CD GLU A 52 -4.286 -6.257 -5.965 1.00 0.00 C ATOM 850 OE1 GLU A 52 -4.410 -7.431 -5.656 1.00 0.00 O ATOM 851 OE2 GLU A 52 -4.144 -5.865 -7.112 1.00 0.00 O ATOM 0 H GLU A 52 -2.929 -5.304 -1.662 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.897 -7.235 -4.004 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.863 -4.209 -3.589 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.177 -4.897 -5.048 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.012 -5.511 -4.071 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.646 -4.255 -5.237 1.00 0.00 H new ATOM 858 N ASP A 53 -0.537 -7.675 -3.221 1.00 0.00 N ATOM 859 CA ASP A 53 0.930 -7.874 -3.047 1.00 0.00 C ATOM 860 C ASP A 53 1.722 -7.113 -4.111 1.00 0.00 C ATOM 861 O ASP A 53 1.319 -7.003 -5.252 1.00 0.00 O ATOM 862 CB ASP A 53 1.152 -9.374 -3.199 1.00 0.00 C ATOM 863 CG ASP A 53 0.386 -10.118 -2.105 1.00 0.00 C ATOM 864 OD1 ASP A 53 -0.791 -9.842 -1.940 1.00 0.00 O ATOM 865 OD2 ASP A 53 0.989 -10.950 -1.446 1.00 0.00 O ATOM 0 H ASP A 53 -1.090 -8.532 -3.246 1.00 0.00 H new ATOM 0 HA ASP A 53 1.269 -7.500 -2.081 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.815 -9.704 -4.182 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.216 -9.603 -3.133 1.00 0.00 H new ATOM 870 N ALA A 54 2.860 -6.601 -3.734 1.00 0.00 N ATOM 871 CA ALA A 54 3.718 -5.855 -4.699 1.00 0.00 C ATOM 872 C ALA A 54 5.147 -6.400 -4.631 1.00 0.00 C ATOM 873 O ALA A 54 5.469 -7.195 -3.771 1.00 0.00 O ATOM 874 CB ALA A 54 3.670 -4.398 -4.237 1.00 0.00 C ATOM 0 H ALA A 54 3.237 -6.668 -2.789 1.00 0.00 H new ATOM 0 HA ALA A 54 3.379 -5.955 -5.730 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.280 -3.786 -4.901 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.640 -4.043 -4.260 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.056 -4.326 -3.220 1.00 0.00 H new ATOM 880 N GLN A 55 6.009 -5.991 -5.522 1.00 0.00 N ATOM 881 CA GLN A 55 7.409 -6.510 -5.480 1.00 0.00 C ATOM 882 C GLN A 55 8.414 -5.404 -5.806 1.00 0.00 C ATOM 883 O GLN A 55 8.410 -4.849 -6.887 1.00 0.00 O ATOM 884 CB GLN A 55 7.463 -7.604 -6.545 1.00 0.00 C ATOM 885 CG GLN A 55 8.582 -8.587 -6.199 1.00 0.00 C ATOM 886 CD GLN A 55 8.735 -9.608 -7.327 1.00 0.00 C ATOM 887 OE1 GLN A 55 8.855 -9.244 -8.480 1.00 0.00 O ATOM 888 NE2 GLN A 55 8.739 -10.882 -7.042 1.00 0.00 N ATOM 0 H GLN A 55 5.809 -5.327 -6.270 1.00 0.00 H new ATOM 0 HA GLN A 55 7.668 -6.884 -4.489 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.507 -8.126 -6.596 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.639 -7.164 -7.527 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.519 -8.050 -6.052 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.356 -9.096 -5.262 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.638 -11.188 -6.074 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.843 -11.571 -7.787 1.00 0.00 H new ATOM 897 N CYS A 56 9.286 -5.093 -4.886 1.00 0.00 N ATOM 898 CA CYS A 56 10.304 -4.036 -5.150 1.00 0.00 C ATOM 899 C CYS A 56 11.358 -4.575 -6.119 1.00 0.00 C ATOM 900 O CYS A 56 11.804 -5.700 -6.003 1.00 0.00 O ATOM 901 CB CYS A 56 10.924 -3.736 -3.784 1.00 0.00 C ATOM 902 SG CYS A 56 12.477 -2.824 -4.000 1.00 0.00 S ATOM 0 H CYS A 56 9.338 -5.525 -3.963 1.00 0.00 H new ATOM 0 HA CYS A 56 9.878 -3.140 -5.602 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.230 -3.152 -3.180 1.00 0.00 H new ATOM 0 HB3 CYS A 56 11.110 -4.666 -3.247 1.00 0.00 H new ATOM 907 N ILE A 57 11.758 -3.788 -7.076 1.00 0.00 N ATOM 908 CA ILE A 57 12.780 -4.265 -8.050 1.00 0.00 C ATOM 909 C ILE A 57 14.037 -3.393 -7.983 1.00 0.00 C ATOM 910 O ILE A 57 14.096 -2.414 -7.266 1.00 0.00 O ATOM 911 CB ILE A 57 12.117 -4.152 -9.425 1.00 0.00 C ATOM 912 CG1 ILE A 57 10.676 -4.663 -9.341 1.00 0.00 C ATOM 913 CG2 ILE A 57 12.897 -4.994 -10.437 1.00 0.00 C ATOM 914 CD1 ILE A 57 10.681 -6.151 -8.987 1.00 0.00 C ATOM 0 H ILE A 57 11.423 -2.836 -7.227 1.00 0.00 H new ATOM 0 HA ILE A 57 13.096 -5.286 -7.837 1.00 0.00 H new ATOM 0 HB ILE A 57 12.115 -3.109 -9.743 1.00 0.00 H new ATOM 0 HG12 ILE A 57 10.123 -4.101 -8.588 1.00 0.00 H new ATOM 0 HG13 ILE A 57 10.168 -4.507 -10.292 1.00 0.00 H new ATOM 0 HG21 ILE A 57 12.426 -4.914 -11.417 1.00 0.00 H new ATOM 0 HG22 ILE A 57 13.923 -4.632 -10.497 1.00 0.00 H new ATOM 0 HG23 ILE A 57 12.898 -6.037 -10.119 1.00 0.00 H new ATOM 0 HD11 ILE A 57 9.655 -6.514 -8.927 1.00 0.00 H new ATOM 0 HD12 ILE A 57 11.218 -6.706 -9.756 1.00 0.00 H new ATOM 0 HD13 ILE A 57 11.173 -6.295 -8.025 1.00 0.00 H new ATOM 926 N ASP A 58 15.046 -3.761 -8.718 1.00 0.00 N ATOM 927 CA ASP A 58 16.322 -2.988 -8.711 1.00 0.00 C ATOM 928 C ASP A 58 16.085 -1.488 -8.934 1.00 0.00 C ATOM 929 O ASP A 58 16.158 -0.998 -10.044 1.00 0.00 O ATOM 930 CB ASP A 58 17.126 -3.568 -9.874 1.00 0.00 C ATOM 931 CG ASP A 58 18.620 -3.466 -9.565 1.00 0.00 C ATOM 932 OD1 ASP A 58 19.065 -2.376 -9.242 1.00 0.00 O ATOM 933 OD2 ASP A 58 19.295 -4.477 -9.657 1.00 0.00 O ATOM 0 H ASP A 58 15.043 -4.575 -9.332 1.00 0.00 H new ATOM 0 HA ASP A 58 16.832 -3.072 -7.751 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.848 -4.609 -10.038 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.897 -3.029 -10.793 1.00 0.00 H new ATOM 938 N GLY A 59 15.839 -0.750 -7.885 1.00 0.00 N ATOM 939 CA GLY A 59 15.644 0.724 -8.033 1.00 0.00 C ATOM 940 C GLY A 59 14.278 1.055 -8.643 1.00 0.00 C ATOM 941 O GLY A 59 13.956 2.209 -8.845 1.00 0.00 O ATOM 0 H GLY A 59 15.764 -1.103 -6.931 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.733 1.203 -7.058 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.433 1.134 -8.663 1.00 0.00 H new ATOM 945 N THR A 60 13.469 0.078 -8.946 1.00 0.00 N ATOM 946 CA THR A 60 12.138 0.401 -9.545 1.00 0.00 C ATOM 947 C THR A 60 11.033 -0.468 -8.940 1.00 0.00 C ATOM 948 O THR A 60 11.238 -1.616 -8.622 1.00 0.00 O ATOM 949 CB THR A 60 12.292 0.101 -11.036 1.00 0.00 C ATOM 950 OG1 THR A 60 13.327 0.910 -11.576 1.00 0.00 O ATOM 951 CG2 THR A 60 10.976 0.400 -11.754 1.00 0.00 C ATOM 0 H THR A 60 13.664 -0.914 -8.809 1.00 0.00 H new ATOM 0 HA THR A 60 11.854 1.436 -9.356 1.00 0.00 H new ATOM 0 HB THR A 60 12.547 -0.950 -11.173 1.00 0.00 H new ATOM 0 HG1 THR A 60 13.428 0.717 -12.532 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.085 0.186 -12.817 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.185 -0.223 -11.338 1.00 0.00 H new ATOM 0 HG23 THR A 60 10.719 1.451 -11.620 1.00 0.00 H new ATOM 959 N ILE A 61 9.854 0.075 -8.797 1.00 0.00 N ATOM 960 CA ILE A 61 8.727 -0.722 -8.229 1.00 0.00 C ATOM 961 C ILE A 61 7.413 -0.322 -8.909 1.00 0.00 C ATOM 962 O ILE A 61 7.232 0.809 -9.313 1.00 0.00 O ATOM 963 CB ILE A 61 8.692 -0.382 -6.737 1.00 0.00 C ATOM 964 CG1 ILE A 61 7.391 -0.916 -6.128 1.00 0.00 C ATOM 965 CG2 ILE A 61 8.760 1.134 -6.547 1.00 0.00 C ATOM 966 CD1 ILE A 61 7.469 -2.439 -6.025 1.00 0.00 C ATOM 0 H ILE A 61 9.622 1.036 -9.049 1.00 0.00 H new ATOM 0 HA ILE A 61 8.859 -1.792 -8.387 1.00 0.00 H new ATOM 0 HB ILE A 61 9.547 -0.842 -6.241 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.233 -0.481 -5.141 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.541 -0.625 -6.745 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.735 1.369 -5.483 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.685 1.514 -6.980 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.909 1.601 -7.042 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.545 -2.822 -5.592 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.608 -2.864 -7.019 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.310 -2.718 -5.390 1.00 0.00 H new ATOM 978 N GLU A 62 6.501 -1.244 -9.047 1.00 0.00 N ATOM 979 CA GLU A 62 5.205 -0.915 -9.710 1.00 0.00 C ATOM 980 C GLU A 62 4.042 -1.090 -8.733 1.00 0.00 C ATOM 981 O GLU A 62 3.456 -2.150 -8.634 1.00 0.00 O ATOM 982 CB GLU A 62 5.089 -1.914 -10.863 1.00 0.00 C ATOM 983 CG GLU A 62 6.395 -1.929 -11.659 1.00 0.00 C ATOM 984 CD GLU A 62 6.161 -2.613 -13.006 1.00 0.00 C ATOM 985 OE1 GLU A 62 5.821 -3.785 -13.001 1.00 0.00 O ATOM 986 OE2 GLU A 62 6.324 -1.955 -14.019 1.00 0.00 O ATOM 0 H GLU A 62 6.595 -2.209 -8.731 1.00 0.00 H new ATOM 0 HA GLU A 62 5.172 0.118 -10.055 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.876 -2.910 -10.475 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.258 -1.640 -11.513 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.752 -0.911 -11.813 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.168 -2.456 -11.100 1.00 0.00 H new ATOM 993 N VAL A 63 3.697 -0.058 -8.014 1.00 0.00 N ATOM 994 CA VAL A 63 2.565 -0.169 -7.049 1.00 0.00 C ATOM 995 C VAL A 63 1.268 -0.504 -7.801 1.00 0.00 C ATOM 996 O VAL A 63 1.060 -0.035 -8.903 1.00 0.00 O ATOM 997 CB VAL A 63 2.468 1.210 -6.399 1.00 0.00 C ATOM 998 CG1 VAL A 63 1.914 2.214 -7.410 1.00 0.00 C ATOM 999 CG2 VAL A 63 1.532 1.137 -5.191 1.00 0.00 C ATOM 0 H VAL A 63 4.148 0.856 -8.052 1.00 0.00 H new ATOM 0 HA VAL A 63 2.719 -0.957 -6.311 1.00 0.00 H new ATOM 0 HB VAL A 63 3.459 1.529 -6.076 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.845 3.198 -6.946 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.578 2.266 -8.273 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.923 1.895 -7.734 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.461 2.120 -4.726 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.542 0.818 -5.517 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.925 0.421 -4.469 1.00 0.00 H new ATOM 1009 N PRO A 64 0.434 -1.310 -7.186 1.00 0.00 N ATOM 1010 CA PRO A 64 -0.847 -1.705 -7.820 1.00 0.00 C ATOM 1011 C PRO A 64 -1.736 -0.480 -8.055 1.00 0.00 C ATOM 1012 O PRO A 64 -1.992 0.296 -7.156 1.00 0.00 O ATOM 1013 CB PRO A 64 -1.466 -2.639 -6.775 1.00 0.00 C ATOM 1014 CG PRO A 64 -0.507 -2.744 -5.574 1.00 0.00 C ATOM 1015 CD PRO A 64 0.721 -1.863 -5.842 1.00 0.00 C ATOM 0 HA PRO A 64 -0.724 -2.172 -8.797 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.434 -2.256 -6.453 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.641 -3.625 -7.206 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -1.009 -2.424 -4.661 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.203 -3.780 -5.424 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.827 -1.077 -5.094 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.645 -2.441 -5.830 1.00 0.00 H new ATOM 1023 N LYS A 65 -2.213 -0.301 -9.257 1.00 0.00 N ATOM 1024 CA LYS A 65 -3.087 0.871 -9.544 1.00 0.00 C ATOM 1025 C LYS A 65 -4.208 0.953 -8.507 1.00 0.00 C ATOM 1026 O LYS A 65 -4.733 2.012 -8.226 1.00 0.00 O ATOM 1027 CB LYS A 65 -3.660 0.610 -10.937 1.00 0.00 C ATOM 1028 CG LYS A 65 -2.548 0.751 -11.977 1.00 0.00 C ATOM 1029 CD LYS A 65 -3.100 1.447 -13.221 1.00 0.00 C ATOM 1030 CE LYS A 65 -2.568 0.750 -14.475 1.00 0.00 C ATOM 1031 NZ LYS A 65 -1.087 0.738 -14.307 1.00 0.00 N ATOM 0 H LYS A 65 -2.035 -0.915 -10.052 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.543 1.814 -9.502 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.092 -0.390 -10.983 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.464 1.315 -11.150 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.719 1.325 -11.563 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.155 -0.231 -12.241 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.190 1.420 -13.212 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -2.807 2.497 -13.224 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.964 -0.262 -14.563 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.859 1.286 -15.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.631 0.821 -15.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -0.799 1.538 -13.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.796 -0.153 -13.857 1.00 0.00 H new ATOM 1045 N CYS A 66 -4.576 -0.160 -7.932 1.00 0.00 N ATOM 1046 CA CYS A 66 -5.661 -0.144 -6.909 1.00 0.00 C ATOM 1047 C CYS A 66 -5.433 1.010 -5.932 1.00 0.00 C ATOM 1048 O CYS A 66 -6.311 1.814 -5.686 1.00 0.00 O ATOM 1049 CB CYS A 66 -5.548 -1.488 -6.187 1.00 0.00 C ATOM 1050 SG CYS A 66 -7.205 -2.105 -5.797 1.00 0.00 S ATOM 0 H CYS A 66 -4.174 -1.077 -8.126 1.00 0.00 H new ATOM 0 HA CYS A 66 -6.648 -0.004 -7.350 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.019 -2.206 -6.814 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.966 -1.374 -5.272 1.00 0.00 H new ATOM 1055 N PHE A 67 -4.257 1.098 -5.376 1.00 0.00 N ATOM 1056 CA PHE A 67 -3.962 2.200 -4.418 1.00 0.00 C ATOM 1057 C PHE A 67 -4.237 3.556 -5.076 1.00 0.00 C ATOM 1058 O PHE A 67 -3.967 3.755 -6.243 1.00 0.00 O ATOM 1059 CB PHE A 67 -2.477 2.049 -4.094 1.00 0.00 C ATOM 1060 CG PHE A 67 -2.087 3.047 -3.032 1.00 0.00 C ATOM 1061 CD1 PHE A 67 -2.022 4.410 -3.344 1.00 0.00 C ATOM 1062 CD2 PHE A 67 -1.794 2.611 -1.734 1.00 0.00 C ATOM 1063 CE1 PHE A 67 -1.663 5.337 -2.358 1.00 0.00 C ATOM 1064 CE2 PHE A 67 -1.434 3.537 -0.749 1.00 0.00 C ATOM 1065 CZ PHE A 67 -1.368 4.900 -1.061 1.00 0.00 C ATOM 0 H PHE A 67 -3.485 0.453 -5.544 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.581 2.152 -3.522 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.271 1.036 -3.749 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.880 2.207 -4.992 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -2.249 4.746 -4.345 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.846 1.559 -1.493 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -1.614 6.389 -2.598 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -1.207 3.200 0.252 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.089 5.615 -0.301 1.00 0.00 H new ATOM 1075 N LYS A 68 -4.777 4.489 -4.338 1.00 0.00 N ATOM 1076 CA LYS A 68 -5.072 5.826 -4.928 1.00 0.00 C ATOM 1077 C LYS A 68 -4.532 6.940 -4.026 1.00 0.00 C ATOM 1078 O LYS A 68 -5.242 7.479 -3.200 1.00 0.00 O ATOM 1079 CB LYS A 68 -6.596 5.898 -5.007 1.00 0.00 C ATOM 1080 CG LYS A 68 -7.199 5.406 -3.689 1.00 0.00 C ATOM 1081 CD LYS A 68 -8.614 5.968 -3.533 1.00 0.00 C ATOM 1082 CE LYS A 68 -8.548 7.340 -2.859 1.00 0.00 C ATOM 1083 NZ LYS A 68 -9.794 7.431 -2.049 1.00 0.00 N ATOM 0 H LYS A 68 -5.026 4.383 -3.355 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.604 5.954 -5.904 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.913 6.922 -5.204 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.957 5.288 -5.835 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.225 4.316 -3.673 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.577 5.722 -2.852 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -9.092 6.053 -4.509 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.223 5.288 -2.938 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.662 7.429 -2.231 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.498 8.140 -3.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -9.665 8.132 -1.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.584 7.722 -2.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -10.004 6.503 -1.630 1.00 0.00 H new ATOM 1097 N GLU A 69 -3.285 7.291 -4.180 1.00 0.00 N ATOM 1098 CA GLU A 69 -2.711 8.374 -3.331 1.00 0.00 C ATOM 1099 C GLU A 69 -3.571 9.634 -3.442 1.00 0.00 C ATOM 1100 O GLU A 69 -3.513 10.513 -2.606 1.00 0.00 O ATOM 1101 CB GLU A 69 -1.315 8.625 -3.896 1.00 0.00 C ATOM 1102 CG GLU A 69 -0.704 9.853 -3.218 1.00 0.00 C ATOM 1103 CD GLU A 69 -0.667 11.018 -4.208 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -0.610 10.757 -5.398 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -0.698 12.152 -3.759 1.00 0.00 O ATOM 0 H GLU A 69 -2.641 6.877 -4.854 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.677 8.101 -2.276 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.682 7.753 -3.732 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.370 8.781 -4.973 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.290 10.126 -2.341 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.304 9.626 -2.870 1.00 0.00 H new ATOM 1112 N HIS A 70 -4.371 9.726 -4.470 1.00 0.00 N ATOM 1113 CA HIS A 70 -5.237 10.927 -4.636 1.00 0.00 C ATOM 1114 C HIS A 70 -6.659 10.620 -4.163 1.00 0.00 C ATOM 1115 O HIS A 70 -7.287 9.685 -4.619 1.00 0.00 O ATOM 1116 CB HIS A 70 -5.226 11.223 -6.136 1.00 0.00 C ATOM 1117 CG HIS A 70 -5.074 12.703 -6.351 1.00 0.00 C ATOM 1118 ND1 HIS A 70 -4.920 13.255 -7.614 1.00 0.00 N ATOM 1119 CD2 HIS A 70 -5.047 13.760 -5.475 1.00 0.00 C ATOM 1120 CE1 HIS A 70 -4.811 14.588 -7.463 1.00 0.00 C ATOM 1121 NE2 HIS A 70 -4.882 14.949 -6.178 1.00 0.00 N ATOM 0 H HIS A 70 -4.462 9.021 -5.202 1.00 0.00 H new ATOM 0 HA HIS A 70 -4.881 11.775 -4.051 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.407 10.688 -6.618 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -6.150 10.871 -6.594 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -5.140 13.680 -4.402 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.682 15.282 -8.281 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.827 15.893 -5.795 1.00 0.00 H new ATOM 1129 N SER A 71 -7.172 11.401 -3.254 1.00 0.00 N ATOM 1130 CA SER A 71 -8.554 11.155 -2.754 1.00 0.00 C ATOM 1131 C SER A 71 -9.576 11.735 -3.735 1.00 0.00 C ATOM 1132 O SER A 71 -10.472 11.052 -4.188 1.00 0.00 O ATOM 1133 CB SER A 71 -8.623 11.881 -1.413 1.00 0.00 C ATOM 1134 OG SER A 71 -7.888 13.095 -1.500 1.00 0.00 O ATOM 0 H SER A 71 -6.694 12.199 -2.835 1.00 0.00 H new ATOM 0 HA SER A 71 -8.778 10.093 -2.652 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.661 12.088 -1.151 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.215 11.251 -0.623 1.00 0.00 H new ATOM 0 HG SER A 71 -7.931 13.566 -0.641 1.00 0.00 H new ATOM 1140 N SER A 72 -9.446 12.991 -4.064 1.00 0.00 N ATOM 1141 CA SER A 72 -10.408 13.618 -5.016 1.00 0.00 C ATOM 1142 C SER A 72 -11.846 13.270 -4.622 1.00 0.00 C ATOM 1143 O SER A 72 -12.471 13.963 -3.844 1.00 0.00 O ATOM 1144 CB SER A 72 -10.064 13.023 -6.380 1.00 0.00 C ATOM 1145 OG SER A 72 -9.204 13.915 -7.077 1.00 0.00 O ATOM 0 H SER A 72 -8.715 13.611 -3.715 1.00 0.00 H new ATOM 0 HA SER A 72 -10.336 14.706 -5.019 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.579 12.055 -6.256 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.974 12.852 -6.955 1.00 0.00 H new ATOM 0 HG SER A 72 -8.979 13.536 -7.952 1.00 0.00 H new ATOM 1151 N LEU A 73 -12.378 12.201 -5.154 1.00 0.00 N ATOM 1152 CA LEU A 73 -13.777 11.816 -4.806 1.00 0.00 C ATOM 1153 C LEU A 73 -13.792 10.481 -4.054 1.00 0.00 C ATOM 1154 O LEU A 73 -14.542 9.583 -4.381 1.00 0.00 O ATOM 1155 CB LEU A 73 -14.495 11.684 -6.149 1.00 0.00 C ATOM 1156 CG LEU A 73 -15.074 13.039 -6.553 1.00 0.00 C ATOM 1157 CD1 LEU A 73 -16.117 13.476 -5.522 1.00 0.00 C ATOM 1158 CD2 LEU A 73 -13.950 14.075 -6.613 1.00 0.00 C ATOM 0 H LEU A 73 -11.906 11.580 -5.812 1.00 0.00 H new ATOM 0 HA LEU A 73 -14.256 12.548 -4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -13.800 11.331 -6.912 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -15.291 10.943 -6.076 1.00 0.00 H new ATOM 0 HG LEU A 73 -15.545 12.956 -7.533 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -16.530 14.443 -5.810 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -16.917 12.737 -5.479 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -15.647 13.560 -4.542 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -14.362 15.042 -6.901 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -13.479 14.158 -5.633 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -13.207 13.764 -7.347 1.00 0.00 H new ATOM 1170 N ALA A 74 -12.973 10.345 -3.046 1.00 0.00 N ATOM 1171 CA ALA A 74 -12.948 9.067 -2.276 1.00 0.00 C ATOM 1172 C ALA A 74 -14.317 8.807 -1.642 1.00 0.00 C ATOM 1173 O ALA A 74 -14.773 7.684 -1.559 1.00 0.00 O ATOM 1174 CB ALA A 74 -11.887 9.273 -1.196 1.00 0.00 C ATOM 0 H ALA A 74 -12.322 11.061 -2.723 1.00 0.00 H new ATOM 0 HA ALA A 74 -12.722 8.208 -2.908 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.809 8.373 -0.586 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.925 9.477 -1.666 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.169 10.116 -0.565 1.00 0.00 H new ATOM 1180 N PHE A 75 -14.978 9.839 -1.192 1.00 0.00 N ATOM 1181 CA PHE A 75 -16.317 9.653 -0.565 1.00 0.00 C ATOM 1182 C PHE A 75 -16.283 8.484 0.423 1.00 0.00 C ATOM 1183 O PHE A 75 -15.231 8.002 0.794 1.00 0.00 O ATOM 1184 CB PHE A 75 -17.260 9.345 -1.728 1.00 0.00 C ATOM 1185 CG PHE A 75 -18.190 10.514 -1.946 1.00 0.00 C ATOM 1186 CD1 PHE A 75 -17.695 11.822 -1.887 1.00 0.00 C ATOM 1187 CD2 PHE A 75 -19.547 10.291 -2.208 1.00 0.00 C ATOM 1188 CE1 PHE A 75 -18.556 12.907 -2.089 1.00 0.00 C ATOM 1189 CE2 PHE A 75 -20.409 11.375 -2.409 1.00 0.00 C ATOM 1190 CZ PHE A 75 -19.914 12.683 -2.351 1.00 0.00 C ATOM 0 H PHE A 75 -14.648 10.803 -1.232 1.00 0.00 H new ATOM 0 HA PHE A 75 -16.635 10.532 -0.004 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -16.686 9.150 -2.634 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -17.835 8.444 -1.515 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -16.648 11.994 -1.685 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -19.929 9.282 -2.255 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -18.174 13.916 -2.043 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -21.456 11.202 -2.609 1.00 0.00 H new ATOM 0 HZ PHE A 75 -20.579 13.519 -2.508 1.00 0.00 H new ATOM 1200 N TRP A 76 -17.426 8.025 0.851 1.00 0.00 N ATOM 1201 CA TRP A 76 -17.461 6.887 1.814 1.00 0.00 C ATOM 1202 C TRP A 76 -16.794 7.289 3.134 1.00 0.00 C ATOM 1203 O TRP A 76 -16.535 8.450 3.380 1.00 0.00 O ATOM 1204 CB TRP A 76 -16.678 5.768 1.134 1.00 0.00 C ATOM 1205 CG TRP A 76 -17.604 4.631 0.858 1.00 0.00 C ATOM 1206 CD1 TRP A 76 -18.019 3.730 1.774 1.00 0.00 C ATOM 1207 CD2 TRP A 76 -18.241 4.264 -0.396 1.00 0.00 C ATOM 1208 NE1 TRP A 76 -18.866 2.825 1.159 1.00 0.00 N ATOM 1209 CE2 TRP A 76 -19.034 3.113 -0.181 1.00 0.00 C ATOM 1210 CE3 TRP A 76 -18.205 4.814 -1.687 1.00 0.00 C ATOM 1211 CZ2 TRP A 76 -19.767 2.527 -1.213 1.00 0.00 C ATOM 1212 CZ3 TRP A 76 -18.941 4.228 -2.730 1.00 0.00 C ATOM 1213 CH2 TRP A 76 -19.720 3.086 -2.493 1.00 0.00 C ATOM 0 H TRP A 76 -18.338 8.388 0.576 1.00 0.00 H new ATOM 0 HA TRP A 76 -18.479 6.581 2.055 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -16.235 6.128 0.205 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -15.858 5.440 1.772 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -17.736 3.718 2.816 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -19.311 2.042 1.637 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -17.608 5.693 -1.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -20.366 1.648 -1.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -18.907 4.659 -3.720 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -20.283 2.639 -3.299 1.00 0.00 H new ATOM 1224 N LYS A 77 -16.515 6.338 3.984 1.00 0.00 N ATOM 1225 CA LYS A 77 -15.866 6.673 5.286 1.00 0.00 C ATOM 1226 C LYS A 77 -15.029 5.492 5.786 1.00 0.00 C ATOM 1227 O LYS A 77 -14.903 5.269 6.972 1.00 0.00 O ATOM 1228 CB LYS A 77 -17.023 6.952 6.246 1.00 0.00 C ATOM 1229 CG LYS A 77 -16.894 8.371 6.805 1.00 0.00 C ATOM 1230 CD LYS A 77 -18.241 9.089 6.696 1.00 0.00 C ATOM 1231 CE LYS A 77 -19.165 8.615 7.819 1.00 0.00 C ATOM 1232 NZ LYS A 77 -19.858 7.416 7.270 1.00 0.00 N ATOM 0 H LYS A 77 -16.707 5.347 3.835 1.00 0.00 H new ATOM 0 HA LYS A 77 -15.191 7.524 5.200 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -17.975 6.840 5.727 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -17.016 6.227 7.060 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -16.573 8.335 7.846 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -16.131 8.922 6.255 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -18.096 10.167 6.761 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -18.696 8.886 5.726 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -18.599 8.367 8.717 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -19.879 9.391 8.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -20.782 7.306 7.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -19.998 7.534 6.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -19.279 6.570 7.445 1.00 0.00 H new ATOM 1246 N THR A 78 -14.454 4.735 4.891 1.00 0.00 N ATOM 1247 CA THR A 78 -13.625 3.572 5.325 1.00 0.00 C ATOM 1248 C THR A 78 -12.617 3.199 4.234 1.00 0.00 C ATOM 1249 O THR A 78 -12.826 2.275 3.474 1.00 0.00 O ATOM 1250 CB THR A 78 -14.622 2.433 5.544 1.00 0.00 C ATOM 1251 OG1 THR A 78 -15.817 2.953 6.109 1.00 0.00 O ATOM 1252 CG2 THR A 78 -14.015 1.398 6.492 1.00 0.00 C ATOM 0 H THR A 78 -14.521 4.870 3.882 1.00 0.00 H new ATOM 0 HA THR A 78 -13.050 3.791 6.225 1.00 0.00 H new ATOM 0 HB THR A 78 -14.849 1.959 4.589 1.00 0.00 H new ATOM 0 HG1 THR A 78 -16.457 2.224 6.249 1.00 0.00 H new ATOM 0 HG21 THR A 78 -14.726 0.586 6.648 1.00 0.00 H new ATOM 0 HG22 THR A 78 -13.099 0.999 6.057 1.00 0.00 H new ATOM 0 HG23 THR A 78 -13.787 1.870 7.448 1.00 0.00 H new ATOM 1260 N ASP A 79 -11.523 3.908 4.154 1.00 0.00 N ATOM 1261 CA ASP A 79 -10.504 3.587 3.113 1.00 0.00 C ATOM 1262 C ASP A 79 -10.072 2.123 3.237 1.00 0.00 C ATOM 1263 O ASP A 79 -10.003 1.580 4.320 1.00 0.00 O ATOM 1264 CB ASP A 79 -9.329 4.522 3.403 1.00 0.00 C ATOM 1265 CG ASP A 79 -9.004 4.487 4.898 1.00 0.00 C ATOM 1266 OD1 ASP A 79 -9.806 4.987 5.670 1.00 0.00 O ATOM 1267 OD2 ASP A 79 -7.961 3.961 5.245 1.00 0.00 O ATOM 0 H ASP A 79 -11.291 4.693 4.762 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.888 3.722 2.102 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -8.457 4.218 2.824 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.576 5.539 3.098 1.00 0.00 H new ATOM 1272 N ALA A 80 -9.785 1.487 2.131 1.00 0.00 N ATOM 1273 CA ALA A 80 -9.361 0.054 2.164 1.00 0.00 C ATOM 1274 C ALA A 80 -8.478 -0.229 3.384 1.00 0.00 C ATOM 1275 O ALA A 80 -8.695 -1.178 4.113 1.00 0.00 O ATOM 1276 CB ALA A 80 -8.566 -0.150 0.874 1.00 0.00 C ATOM 0 H ALA A 80 -9.826 1.901 1.200 1.00 0.00 H new ATOM 0 HA ALA A 80 -10.215 -0.619 2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.217 -1.181 0.821 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -9.204 0.062 0.016 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -7.709 0.524 0.864 1.00 0.00 H new ATOM 1282 N SER A 81 -7.485 0.583 3.609 1.00 0.00 N ATOM 1283 CA SER A 81 -6.584 0.358 4.778 1.00 0.00 C ATOM 1284 C SER A 81 -7.399 0.139 6.060 1.00 0.00 C ATOM 1285 O SER A 81 -6.903 -0.393 7.033 1.00 0.00 O ATOM 1286 CB SER A 81 -5.749 1.634 4.884 1.00 0.00 C ATOM 1287 OG SER A 81 -6.181 2.391 6.007 1.00 0.00 O ATOM 0 H SER A 81 -7.256 1.394 3.035 1.00 0.00 H new ATOM 0 HA SER A 81 -5.964 -0.530 4.650 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.693 1.383 4.986 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.850 2.224 3.973 1.00 0.00 H new ATOM 0 HG SER A 81 -6.510 3.264 5.706 1.00 0.00 H new ATOM 1293 N ASP A 82 -8.640 0.551 6.078 1.00 0.00 N ATOM 1294 CA ASP A 82 -9.462 0.366 7.311 1.00 0.00 C ATOM 1295 C ASP A 82 -10.742 -0.422 7.007 1.00 0.00 C ATOM 1296 O ASP A 82 -11.757 -0.240 7.649 1.00 0.00 O ATOM 1297 CB ASP A 82 -9.808 1.782 7.765 1.00 0.00 C ATOM 1298 CG ASP A 82 -8.554 2.466 8.309 1.00 0.00 C ATOM 1299 OD1 ASP A 82 -7.827 1.826 9.052 1.00 0.00 O ATOM 1300 OD2 ASP A 82 -8.340 3.620 7.975 1.00 0.00 O ATOM 0 H ASP A 82 -9.117 1.004 5.299 1.00 0.00 H new ATOM 0 HA ASP A 82 -8.926 -0.198 8.074 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.213 2.354 6.930 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.580 1.750 8.534 1.00 0.00 H new ATOM 1305 N VAL A 83 -10.704 -1.297 6.042 1.00 0.00 N ATOM 1306 CA VAL A 83 -11.926 -2.093 5.715 1.00 0.00 C ATOM 1307 C VAL A 83 -11.734 -3.553 6.132 1.00 0.00 C ATOM 1308 O VAL A 83 -10.626 -4.022 6.297 1.00 0.00 O ATOM 1309 CB VAL A 83 -12.081 -1.990 4.199 1.00 0.00 C ATOM 1310 CG1 VAL A 83 -13.444 -2.551 3.787 1.00 0.00 C ATOM 1311 CG2 VAL A 83 -11.985 -0.525 3.775 1.00 0.00 C ATOM 0 H VAL A 83 -9.886 -1.497 5.467 1.00 0.00 H new ATOM 0 HA VAL A 83 -12.807 -1.723 6.240 1.00 0.00 H new ATOM 0 HB VAL A 83 -11.290 -2.561 3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.556 -2.478 2.705 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.514 -3.596 4.089 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -14.235 -1.979 4.273 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -12.096 -0.451 2.693 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.776 0.047 4.260 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -11.015 -0.124 4.069 1.00 0.00 H new ATOM 1321 N LYS A 84 -12.808 -4.276 6.299 1.00 0.00 N ATOM 1322 CA LYS A 84 -12.686 -5.706 6.703 1.00 0.00 C ATOM 1323 C LYS A 84 -12.463 -6.583 5.463 1.00 0.00 C ATOM 1324 O LYS A 84 -13.090 -6.372 4.444 1.00 0.00 O ATOM 1325 CB LYS A 84 -14.023 -6.046 7.363 1.00 0.00 C ATOM 1326 CG LYS A 84 -13.893 -5.901 8.880 1.00 0.00 C ATOM 1327 CD LYS A 84 -15.228 -5.432 9.463 1.00 0.00 C ATOM 1328 CE LYS A 84 -15.130 -5.379 10.989 1.00 0.00 C ATOM 1329 NZ LYS A 84 -15.336 -3.945 11.336 1.00 0.00 N ATOM 0 H LYS A 84 -13.763 -3.939 6.174 1.00 0.00 H new ATOM 0 HA LYS A 84 -11.845 -5.878 7.374 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -14.804 -5.384 6.989 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -14.318 -7.064 7.108 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -13.605 -6.854 9.324 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -13.107 -5.186 9.122 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -15.482 -4.448 9.070 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -16.026 -6.111 9.163 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -15.886 -6.011 11.456 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -14.159 -5.734 11.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -15.283 -3.826 12.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -14.598 -3.369 10.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -16.271 -3.637 11.000 1.00 0.00 H new ATOM 1343 N PRO A 85 -11.580 -7.546 5.583 1.00 0.00 N ATOM 1344 CA PRO A 85 -11.289 -8.451 4.447 1.00 0.00 C ATOM 1345 C PRO A 85 -12.536 -9.259 4.078 1.00 0.00 C ATOM 1346 O PRO A 85 -13.292 -9.676 4.933 1.00 0.00 O ATOM 1347 CB PRO A 85 -10.192 -9.360 5.012 1.00 0.00 C ATOM 1348 CG PRO A 85 -9.896 -8.937 6.463 1.00 0.00 C ATOM 1349 CD PRO A 85 -10.830 -7.779 6.840 1.00 0.00 C ATOM 0 HA PRO A 85 -10.989 -7.932 3.537 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -10.511 -10.402 4.980 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -9.290 -9.285 4.405 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -10.046 -9.778 7.140 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.855 -8.630 6.562 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -11.492 -8.044 7.664 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -10.274 -6.894 7.150 1.00 0.00 H new ATOM 1357 N CYS A 86 -12.758 -9.483 2.813 1.00 0.00 N ATOM 1358 CA CYS A 86 -13.957 -10.264 2.397 1.00 0.00 C ATOM 1359 C CYS A 86 -13.981 -11.617 3.116 1.00 0.00 C ATOM 1360 O CYS A 86 -12.989 -11.950 3.740 1.00 0.00 O ATOM 1361 CB CYS A 86 -13.805 -10.459 0.889 1.00 0.00 C ATOM 1362 SG CYS A 86 -15.444 -10.549 0.129 1.00 0.00 S ATOM 1363 OXT CYS A 86 -14.992 -12.294 3.029 1.00 0.00 O ATOM 0 H CYS A 86 -12.163 -9.160 2.050 1.00 0.00 H new ATOM 0 HA CYS A 86 -14.888 -9.754 2.647 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -13.237 -9.634 0.459 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -13.246 -11.372 0.683 1.00 0.00 H new TER 1368 CYS A 86