USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 743 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 73 ASN : amide:sc= 0.686 K(o=1.6,f=-6.5!) USER MOD Set 1.2: A 76 LYS NZ :NH3+ -175:sc= 0.892 (180deg=0) USER MOD Set 2.1: A -1 SER OG : rot 180:sc= 0.451 USER MOD Set 2.2: A 55 LYS NZ :NH3+ 171:sc= 0.493 (180deg=0) USER MOD Set 3.1: A 33 LYS NZ :NH3+ -174:sc= 0.503 (180deg=0) USER MOD Set 3.2: A 52 THR OG1 : rot 180:sc= 0.465 USER MOD Set 4.1: A 12 CYS SG : rot -2:sc= 0.396 USER MOD Set 4.2: A 17 MET CE :methyl -177:sc= -0.231 (180deg=-0.252) USER MOD Set 5.1: A 2 SER OG : rot -173:sc= 0.773 USER MOD Set 5.2: A 59 SER OG : rot 70:sc= 1.72 USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -145:sc= 0.087 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A -2 SER OG : rot 180:sc= 0.00655 USER MOD Single : A -3 GLY N :NH3+ 144:sc= 0.0315 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 15:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 1.02 K(o=1,f=-7!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 32 GLN : amide:sc= -0.0103 K(o=-0.01,f=-0.81) USER MOD Single : A 35 MET CE :methyl 172:sc= 0 (180deg=-0.0518) USER MOD Single : A 36 CYS SG : rot 31:sc= -0.0507 USER MOD Single : A 44 ASN : amide:sc= -0.0462 X(o=-0.046,f=-0.52) USER MOD Single : A 45 TYR OH : rot 180:sc= 0.0586 USER MOD Single : A 48 MET CE :methyl -169:sc= 0 (180deg=-0.157) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 51 SER OG : rot 180:sc= -0.022 USER MOD Single : A 53 ASN : amide:sc= 0.986 K(o=0.99,f=-0.18) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0.422 K(o=0.42,f=-0.55) USER MOD Single : A 60 ASN : amide:sc= 0.373 K(o=0.37,f=-0.85) USER MOD Single : A 67 ASN : amide:sc= 0.853 K(o=0.85,f=-7.2!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 26:sc= 0.985 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 19.561 -5.494 10.025 1.00 0.00 N ATOM 2 CA GLY A -3 18.804 -4.238 9.830 1.00 0.00 C ATOM 3 C GLY A -3 17.910 -3.930 11.022 1.00 0.00 C ATOM 4 O GLY A -3 17.444 -4.838 11.709 1.00 0.00 O ATOM 0 H1 GLY A -3 19.650 -5.991 9.116 1.00 0.00 H new ATOM 0 H2 GLY A -3 20.508 -5.275 10.394 1.00 0.00 H new ATOM 0 H3 GLY A -3 19.058 -6.101 10.703 1.00 0.00 H new ATOM 0 HA2 GLY A -3 19.500 -3.414 9.674 1.00 0.00 H new ATOM 0 HA3 GLY A -3 18.196 -4.316 8.929 1.00 0.00 H new ATOM 10 N SER A -2 17.651 -2.648 11.284 1.00 0.00 N ATOM 11 CA SER A -2 16.869 -2.173 12.444 1.00 0.00 C ATOM 12 C SER A -2 15.348 -2.072 12.190 1.00 0.00 C ATOM 13 O SER A -2 14.572 -1.898 13.132 1.00 0.00 O ATOM 14 CB SER A -2 17.425 -0.811 12.891 1.00 0.00 C ATOM 15 OG SER A -2 17.460 0.119 11.811 1.00 0.00 O ATOM 0 H SER A -2 17.982 -1.889 10.688 1.00 0.00 H new ATOM 0 HA SER A -2 16.980 -2.922 13.228 1.00 0.00 H new ATOM 0 HB2 SER A -2 16.809 -0.412 13.696 1.00 0.00 H new ATOM 0 HB3 SER A -2 18.430 -0.941 13.293 1.00 0.00 H new ATOM 0 HG SER A -2 17.817 0.975 12.128 1.00 0.00 H new ATOM 21 N SER A -1 14.897 -2.212 10.940 1.00 0.00 N ATOM 22 CA SER A -1 13.490 -2.115 10.519 1.00 0.00 C ATOM 23 C SER A -1 13.289 -2.721 9.115 1.00 0.00 C ATOM 24 O SER A -1 14.214 -2.729 8.292 1.00 0.00 O ATOM 25 CB SER A -1 13.035 -0.644 10.541 1.00 0.00 C ATOM 26 OG SER A -1 11.624 -0.518 10.401 1.00 0.00 O ATOM 0 H SER A -1 15.525 -2.404 10.160 1.00 0.00 H new ATOM 0 HA SER A -1 12.881 -2.686 11.220 1.00 0.00 H new ATOM 0 HB2 SER A -1 13.349 -0.182 11.477 1.00 0.00 H new ATOM 0 HB3 SER A -1 13.529 -0.100 9.736 1.00 0.00 H new ATOM 0 HG SER A -1 11.377 0.430 10.422 1.00 0.00 H new ATOM 32 N GLY A 0 12.086 -3.242 8.838 1.00 0.00 N ATOM 33 CA GLY A 0 11.713 -3.850 7.550 1.00 0.00 C ATOM 34 C GLY A 0 11.383 -2.829 6.453 1.00 0.00 C ATOM 35 O GLY A 0 11.265 -1.629 6.700 1.00 0.00 O ATOM 0 H GLY A 0 11.326 -3.253 9.518 1.00 0.00 H new ATOM 0 HA2 GLY A 0 12.531 -4.484 7.208 1.00 0.00 H new ATOM 0 HA3 GLY A 0 10.849 -4.498 7.702 1.00 0.00 H new ATOM 39 N SER A 1 11.195 -3.323 5.231 1.00 0.00 N ATOM 40 CA SER A 1 10.936 -2.528 4.017 1.00 0.00 C ATOM 41 C SER A 1 10.279 -3.381 2.907 1.00 0.00 C ATOM 42 O SER A 1 10.110 -4.593 3.061 1.00 0.00 O ATOM 43 CB SER A 1 12.238 -1.862 3.527 1.00 0.00 C ATOM 44 OG SER A 1 13.237 -2.811 3.168 1.00 0.00 O ATOM 0 H SER A 1 11.218 -4.326 5.045 1.00 0.00 H new ATOM 0 HA SER A 1 10.226 -1.741 4.270 1.00 0.00 H new ATOM 0 HB2 SER A 1 12.017 -1.230 2.667 1.00 0.00 H new ATOM 0 HB3 SER A 1 12.626 -1.211 4.310 1.00 0.00 H new ATOM 0 HG SER A 1 14.041 -2.340 2.863 1.00 0.00 H new ATOM 50 N SER A 2 9.882 -2.769 1.784 1.00 0.00 N ATOM 51 CA SER A 2 9.113 -3.428 0.715 1.00 0.00 C ATOM 52 C SER A 2 9.219 -2.680 -0.625 1.00 0.00 C ATOM 53 O SER A 2 9.277 -1.447 -0.659 1.00 0.00 O ATOM 54 CB SER A 2 7.646 -3.528 1.144 1.00 0.00 C ATOM 55 OG SER A 2 6.842 -4.127 0.143 1.00 0.00 O ATOM 0 H SER A 2 10.087 -1.789 1.588 1.00 0.00 H new ATOM 0 HA SER A 2 9.533 -4.422 0.561 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.575 -4.110 2.063 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.265 -2.532 1.368 1.00 0.00 H new ATOM 0 HG SER A 2 5.899 -4.076 0.406 1.00 0.00 H new ATOM 61 N GLY A 3 9.230 -3.428 -1.738 1.00 0.00 N ATOM 62 CA GLY A 3 9.491 -2.900 -3.082 1.00 0.00 C ATOM 63 C GLY A 3 8.362 -2.038 -3.642 1.00 0.00 C ATOM 64 O GLY A 3 8.643 -1.051 -4.315 1.00 0.00 O ATOM 0 H GLY A 3 9.055 -4.433 -1.728 1.00 0.00 H new ATOM 0 HA2 GLY A 3 10.407 -2.309 -3.057 1.00 0.00 H new ATOM 0 HA3 GLY A 3 9.668 -3.734 -3.761 1.00 0.00 H new ATOM 68 N ILE A 4 7.094 -2.354 -3.352 1.00 0.00 N ATOM 69 CA ILE A 4 5.942 -1.534 -3.793 1.00 0.00 C ATOM 70 C ILE A 4 5.769 -0.268 -2.943 1.00 0.00 C ATOM 71 O ILE A 4 5.429 0.795 -3.462 1.00 0.00 O ATOM 72 CB ILE A 4 4.656 -2.392 -3.872 1.00 0.00 C ATOM 73 CG1 ILE A 4 3.462 -1.652 -4.514 1.00 0.00 C ATOM 74 CG2 ILE A 4 4.214 -2.917 -2.494 1.00 0.00 C ATOM 75 CD1 ILE A 4 3.693 -1.190 -5.957 1.00 0.00 C ATOM 0 H ILE A 4 6.831 -3.177 -2.810 1.00 0.00 H new ATOM 0 HA ILE A 4 6.151 -1.178 -4.802 1.00 0.00 H new ATOM 0 HB ILE A 4 4.933 -3.229 -4.513 1.00 0.00 H new ATOM 0 HG12 ILE A 4 2.592 -2.308 -4.492 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.221 -0.782 -3.903 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.308 -3.512 -2.605 1.00 0.00 H new ATOM 0 HG22 ILE A 4 5.005 -3.535 -2.069 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.016 -2.075 -1.830 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.801 -0.681 -6.323 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.540 -0.505 -5.989 1.00 0.00 H new ATOM 0 HD13 ILE A 4 3.902 -2.055 -6.587 1.00 0.00 H new ATOM 87 N LYS A 5 6.103 -0.347 -1.654 1.00 0.00 N ATOM 88 CA LYS A 5 6.119 0.799 -0.739 1.00 0.00 C ATOM 89 C LYS A 5 7.232 1.789 -1.139 1.00 0.00 C ATOM 90 O LYS A 5 7.003 2.997 -1.229 1.00 0.00 O ATOM 91 CB LYS A 5 6.258 0.232 0.690 1.00 0.00 C ATOM 92 CG LYS A 5 5.663 1.096 1.812 1.00 0.00 C ATOM 93 CD LYS A 5 6.450 2.376 2.127 1.00 0.00 C ATOM 94 CE LYS A 5 5.899 2.972 3.431 1.00 0.00 C ATOM 95 NZ LYS A 5 6.627 4.195 3.853 1.00 0.00 N ATOM 0 H LYS A 5 6.375 -1.223 -1.208 1.00 0.00 H new ATOM 0 HA LYS A 5 5.199 1.381 -0.788 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.781 -0.748 0.720 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.317 0.078 0.898 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.644 1.371 1.538 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.598 0.494 2.719 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.512 2.153 2.230 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.353 3.092 1.311 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.843 3.209 3.300 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.962 2.225 4.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.680 4.227 4.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.589 4.180 3.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.123 5.036 3.506 1.00 0.00 H new ATOM 109 N ASN A 6 8.414 1.268 -1.489 1.00 0.00 N ATOM 110 CA ASN A 6 9.513 2.048 -2.062 1.00 0.00 C ATOM 111 C ASN A 6 9.202 2.577 -3.478 1.00 0.00 C ATOM 112 O ASN A 6 9.652 3.669 -3.821 1.00 0.00 O ATOM 113 CB ASN A 6 10.782 1.183 -2.061 1.00 0.00 C ATOM 114 CG ASN A 6 12.005 1.952 -2.553 1.00 0.00 C ATOM 115 OD1 ASN A 6 12.405 1.845 -3.706 1.00 0.00 O ATOM 116 ND2 ASN A 6 12.626 2.750 -1.701 1.00 0.00 N ATOM 0 H ASN A 6 8.635 0.278 -1.380 1.00 0.00 H new ATOM 0 HA ASN A 6 9.661 2.934 -1.444 1.00 0.00 H new ATOM 0 HB2 ASN A 6 10.968 0.815 -1.052 1.00 0.00 H new ATOM 0 HB3 ASN A 6 10.625 0.310 -2.694 1.00 0.00 H new ATOM 0 HD21 ASN A 6 13.443 3.281 -2.002 1.00 0.00 H new ATOM 0 HD22 ASN A 6 12.288 2.835 -0.742 1.00 0.00 H new ATOM 123 N PHE A 7 8.401 1.864 -4.282 1.00 0.00 N ATOM 124 CA PHE A 7 8.040 2.287 -5.641 1.00 0.00 C ATOM 125 C PHE A 7 7.151 3.534 -5.636 1.00 0.00 C ATOM 126 O PHE A 7 7.403 4.449 -6.418 1.00 0.00 O ATOM 127 CB PHE A 7 7.366 1.130 -6.389 1.00 0.00 C ATOM 128 CG PHE A 7 6.908 1.476 -7.792 1.00 0.00 C ATOM 129 CD1 PHE A 7 7.813 1.415 -8.868 1.00 0.00 C ATOM 130 CD2 PHE A 7 5.577 1.871 -8.020 1.00 0.00 C ATOM 131 CE1 PHE A 7 7.384 1.744 -10.167 1.00 0.00 C ATOM 132 CE2 PHE A 7 5.151 2.204 -9.317 1.00 0.00 C ATOM 133 CZ PHE A 7 6.053 2.135 -10.393 1.00 0.00 C ATOM 0 H PHE A 7 7.984 0.975 -4.007 1.00 0.00 H new ATOM 0 HA PHE A 7 8.957 2.557 -6.164 1.00 0.00 H new ATOM 0 HB2 PHE A 7 8.062 0.293 -6.443 1.00 0.00 H new ATOM 0 HB3 PHE A 7 6.505 0.792 -5.812 1.00 0.00 H new ATOM 0 HD1 PHE A 7 8.836 1.116 -8.697 1.00 0.00 H new ATOM 0 HD2 PHE A 7 4.881 1.918 -7.196 1.00 0.00 H new ATOM 0 HE1 PHE A 7 8.079 1.696 -10.992 1.00 0.00 H new ATOM 0 HE2 PHE A 7 4.130 2.513 -9.487 1.00 0.00 H new ATOM 0 HZ PHE A 7 5.724 2.382 -11.392 1.00 0.00 H new ATOM 143 N LEU A 8 6.166 3.618 -4.730 1.00 0.00 N ATOM 144 CA LEU A 8 5.362 4.835 -4.562 1.00 0.00 C ATOM 145 C LEU A 8 6.232 6.012 -4.099 1.00 0.00 C ATOM 146 O LEU A 8 6.142 7.107 -4.652 1.00 0.00 O ATOM 147 CB LEU A 8 4.201 4.555 -3.589 1.00 0.00 C ATOM 148 CG LEU A 8 3.224 5.742 -3.411 1.00 0.00 C ATOM 149 CD1 LEU A 8 2.682 6.304 -4.736 1.00 0.00 C ATOM 150 CD2 LEU A 8 2.037 5.301 -2.545 1.00 0.00 C ATOM 0 H LEU A 8 5.908 2.857 -4.102 1.00 0.00 H new ATOM 0 HA LEU A 8 4.938 5.122 -5.524 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.643 3.690 -3.946 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.613 4.289 -2.616 1.00 0.00 H new ATOM 0 HG LEU A 8 3.796 6.538 -2.935 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.005 7.133 -4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.512 6.657 -5.348 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.145 5.521 -5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.348 6.136 -2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.519 4.474 -3.031 1.00 0.00 H new ATOM 0 HD23 LEU A 8 2.399 4.979 -1.569 1.00 0.00 H new ATOM 162 N TYR A 9 7.126 5.775 -3.136 1.00 0.00 N ATOM 163 CA TYR A 9 8.058 6.793 -2.643 1.00 0.00 C ATOM 164 C TYR A 9 9.013 7.307 -3.741 1.00 0.00 C ATOM 165 O TYR A 9 9.214 8.515 -3.871 1.00 0.00 O ATOM 166 CB TYR A 9 8.824 6.225 -1.442 1.00 0.00 C ATOM 167 CG TYR A 9 9.667 7.251 -0.711 1.00 0.00 C ATOM 168 CD1 TYR A 9 9.102 8.009 0.334 1.00 0.00 C ATOM 169 CD2 TYR A 9 11.010 7.459 -1.081 1.00 0.00 C ATOM 170 CE1 TYR A 9 9.873 8.977 1.006 1.00 0.00 C ATOM 171 CE2 TYR A 9 11.786 8.427 -0.416 1.00 0.00 C ATOM 172 CZ TYR A 9 11.220 9.191 0.630 1.00 0.00 C ATOM 173 OH TYR A 9 11.975 10.125 1.273 1.00 0.00 O ATOM 0 H TYR A 9 7.224 4.870 -2.675 1.00 0.00 H new ATOM 0 HA TYR A 9 7.484 7.664 -2.328 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.111 5.789 -0.742 1.00 0.00 H new ATOM 0 HB3 TYR A 9 9.469 5.416 -1.785 1.00 0.00 H new ATOM 0 HD1 TYR A 9 8.073 7.847 0.621 1.00 0.00 H new ATOM 0 HD2 TYR A 9 11.446 6.874 -1.877 1.00 0.00 H new ATOM 0 HE1 TYR A 9 9.437 9.555 1.807 1.00 0.00 H new ATOM 0 HE2 TYR A 9 12.814 8.586 -0.705 1.00 0.00 H new ATOM 0 HH TYR A 9 12.876 10.139 0.888 1.00 0.00 H new ATOM 183 N ALA A 10 9.549 6.406 -4.572 1.00 0.00 N ATOM 184 CA ALA A 10 10.417 6.734 -5.704 1.00 0.00 C ATOM 185 C ALA A 10 9.669 7.456 -6.839 1.00 0.00 C ATOM 186 O ALA A 10 10.201 8.406 -7.407 1.00 0.00 O ATOM 187 CB ALA A 10 11.079 5.441 -6.198 1.00 0.00 C ATOM 0 H ALA A 10 9.386 5.404 -4.472 1.00 0.00 H new ATOM 0 HA ALA A 10 11.179 7.437 -5.368 1.00 0.00 H new ATOM 0 HB1 ALA A 10 11.731 5.665 -7.043 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.668 5.003 -5.392 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.310 4.735 -6.511 1.00 0.00 H new ATOM 193 N TRP A 11 8.426 7.065 -7.135 1.00 0.00 N ATOM 194 CA TRP A 11 7.566 7.742 -8.112 1.00 0.00 C ATOM 195 C TRP A 11 7.277 9.191 -7.695 1.00 0.00 C ATOM 196 O TRP A 11 7.458 10.116 -8.487 1.00 0.00 O ATOM 197 CB TRP A 11 6.267 6.942 -8.270 1.00 0.00 C ATOM 198 CG TRP A 11 5.261 7.570 -9.184 1.00 0.00 C ATOM 199 CD1 TRP A 11 5.152 7.358 -10.516 1.00 0.00 C ATOM 200 CD2 TRP A 11 4.209 8.525 -8.847 1.00 0.00 C ATOM 201 NE1 TRP A 11 4.111 8.113 -11.025 1.00 0.00 N ATOM 202 CE2 TRP A 11 3.519 8.880 -10.042 1.00 0.00 C ATOM 203 CE3 TRP A 11 3.767 9.121 -7.646 1.00 0.00 C ATOM 204 CZ2 TRP A 11 2.468 9.810 -10.043 1.00 0.00 C ATOM 205 CZ3 TRP A 11 2.701 10.039 -7.636 1.00 0.00 C ATOM 206 CH2 TRP A 11 2.058 10.393 -8.835 1.00 0.00 C ATOM 0 H TRP A 11 7.982 6.258 -6.697 1.00 0.00 H new ATOM 0 HA TRP A 11 8.082 7.787 -9.071 1.00 0.00 H new ATOM 0 HB2 TRP A 11 6.510 5.948 -8.645 1.00 0.00 H new ATOM 0 HB3 TRP A 11 5.814 6.810 -7.287 1.00 0.00 H new ATOM 0 HD1 TRP A 11 5.783 6.699 -11.094 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.818 8.104 -12.002 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.256 8.867 -6.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 1.978 10.075 -10.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.375 10.474 -6.703 1.00 0.00 H new ATOM 0 HH2 TRP A 11 1.251 11.111 -8.826 1.00 0.00 H new ATOM 217 N CYS A 12 6.910 9.396 -6.426 1.00 0.00 N ATOM 218 CA CYS A 12 6.774 10.723 -5.818 1.00 0.00 C ATOM 219 C CYS A 12 8.082 11.531 -5.902 1.00 0.00 C ATOM 220 O CYS A 12 8.058 12.692 -6.313 1.00 0.00 O ATOM 221 CB CYS A 12 6.321 10.539 -4.365 1.00 0.00 C ATOM 222 SG CYS A 12 4.548 10.155 -4.289 1.00 0.00 S ATOM 0 H CYS A 12 6.696 8.634 -5.783 1.00 0.00 H new ATOM 0 HA CYS A 12 6.030 11.299 -6.368 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.892 9.736 -3.900 1.00 0.00 H new ATOM 0 HB3 CYS A 12 6.526 11.446 -3.797 1.00 0.00 H new ATOM 0 HG CYS A 12 4.048 10.172 -5.489 1.00 0.00 H new ATOM 228 N GLY A 13 9.228 10.911 -5.599 1.00 0.00 N ATOM 229 CA GLY A 13 10.552 11.552 -5.631 1.00 0.00 C ATOM 230 C GLY A 13 11.011 11.964 -7.033 1.00 0.00 C ATOM 231 O GLY A 13 11.736 12.949 -7.172 1.00 0.00 O ATOM 0 H GLY A 13 9.264 9.931 -5.319 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.532 12.435 -4.992 1.00 0.00 H new ATOM 0 HA3 GLY A 13 11.286 10.867 -5.206 1.00 0.00 H new ATOM 235 N LYS A 14 10.531 11.289 -8.084 1.00 0.00 N ATOM 236 CA LYS A 14 10.762 11.662 -9.493 1.00 0.00 C ATOM 237 C LYS A 14 9.868 12.834 -9.956 1.00 0.00 C ATOM 238 O LYS A 14 10.066 13.377 -11.046 1.00 0.00 O ATOM 239 CB LYS A 14 10.571 10.413 -10.377 1.00 0.00 C ATOM 240 CG LYS A 14 11.740 9.425 -10.237 1.00 0.00 C ATOM 241 CD LYS A 14 11.452 8.123 -10.997 1.00 0.00 C ATOM 242 CE LYS A 14 12.633 7.156 -10.845 1.00 0.00 C ATOM 243 NZ LYS A 14 12.408 5.888 -11.589 1.00 0.00 N ATOM 0 H LYS A 14 9.959 10.451 -7.982 1.00 0.00 H new ATOM 0 HA LYS A 14 11.785 12.024 -9.591 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.641 9.915 -10.105 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.476 10.717 -11.419 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.653 9.880 -10.620 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.911 9.205 -9.183 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.542 7.662 -10.614 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.280 8.338 -12.052 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.543 7.634 -11.208 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.788 6.935 -9.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.228 5.261 -11.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 11.554 5.419 -11.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.285 6.096 -12.601 1.00 0.00 H new ATOM 257 N ARG A 15 8.913 13.241 -9.108 1.00 0.00 N ATOM 258 CA ARG A 15 7.952 14.333 -9.309 1.00 0.00 C ATOM 259 C ARG A 15 8.080 15.446 -8.246 1.00 0.00 C ATOM 260 O ARG A 15 7.221 16.325 -8.172 1.00 0.00 O ATOM 261 CB ARG A 15 6.533 13.732 -9.324 1.00 0.00 C ATOM 262 CG ARG A 15 6.310 12.730 -10.469 1.00 0.00 C ATOM 263 CD ARG A 15 4.848 12.284 -10.523 1.00 0.00 C ATOM 264 NE ARG A 15 4.557 11.561 -11.774 1.00 0.00 N ATOM 265 CZ ARG A 15 3.515 11.756 -12.577 1.00 0.00 C ATOM 266 NH1 ARG A 15 2.621 12.700 -12.389 1.00 0.00 N ATOM 267 NH2 ARG A 15 3.307 10.984 -13.614 1.00 0.00 N ATOM 0 H ARG A 15 8.783 12.786 -8.204 1.00 0.00 H new ATOM 0 HA ARG A 15 8.167 14.816 -10.262 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.347 13.234 -8.373 1.00 0.00 H new ATOM 0 HB3 ARG A 15 5.805 14.539 -9.409 1.00 0.00 H new ATOM 0 HG2 ARG A 15 6.591 13.187 -11.418 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.955 11.862 -10.330 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.629 11.642 -9.670 1.00 0.00 H new ATOM 0 HD3 ARG A 15 4.196 13.154 -10.443 1.00 0.00 H new ATOM 0 HE ARG A 15 5.221 10.839 -12.052 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.706 13.332 -11.593 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.842 12.801 -13.040 1.00 0.00 H new ATOM 0 HH21 ARG A 15 3.950 10.218 -13.817 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.502 11.148 -14.219 1.00 0.00 H new ATOM 281 N LYS A 16 9.123 15.405 -7.402 1.00 0.00 N ATOM 282 CA LYS A 16 9.399 16.353 -6.299 1.00 0.00 C ATOM 283 C LYS A 16 8.317 16.342 -5.185 1.00 0.00 C ATOM 284 O LYS A 16 8.087 17.350 -4.510 1.00 0.00 O ATOM 285 CB LYS A 16 9.712 17.765 -6.848 1.00 0.00 C ATOM 286 CG LYS A 16 10.897 17.782 -7.829 1.00 0.00 C ATOM 287 CD LYS A 16 11.229 19.219 -8.259 1.00 0.00 C ATOM 288 CE LYS A 16 12.466 19.296 -9.168 1.00 0.00 C ATOM 289 NZ LYS A 16 12.229 18.710 -10.515 1.00 0.00 N ATOM 0 H LYS A 16 9.834 14.677 -7.469 1.00 0.00 H new ATOM 0 HA LYS A 16 10.299 16.002 -5.793 1.00 0.00 H new ATOM 0 HB2 LYS A 16 8.827 18.158 -7.349 1.00 0.00 H new ATOM 0 HB3 LYS A 16 9.929 18.433 -6.014 1.00 0.00 H new ATOM 0 HG2 LYS A 16 11.770 17.327 -7.360 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.657 17.181 -8.706 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.372 19.644 -8.782 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.397 19.830 -7.372 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.766 20.338 -9.278 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.295 18.774 -8.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.095 18.789 -11.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.969 17.708 -10.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.457 19.223 -10.986 1.00 0.00 H new ATOM 303 N MET A 17 7.648 15.200 -4.995 1.00 0.00 N ATOM 304 CA MET A 17 6.609 14.943 -3.985 1.00 0.00 C ATOM 305 C MET A 17 7.088 13.931 -2.927 1.00 0.00 C ATOM 306 O MET A 17 8.124 13.280 -3.099 1.00 0.00 O ATOM 307 CB MET A 17 5.345 14.405 -4.684 1.00 0.00 C ATOM 308 CG MET A 17 4.746 15.400 -5.684 1.00 0.00 C ATOM 309 SD MET A 17 3.097 14.965 -6.300 1.00 0.00 S ATOM 310 CE MET A 17 3.437 13.356 -7.058 1.00 0.00 C ATOM 0 H MET A 17 7.826 14.380 -5.575 1.00 0.00 H new ATOM 0 HA MET A 17 6.387 15.880 -3.474 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.590 13.479 -5.204 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.596 14.160 -3.931 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.694 16.381 -5.211 1.00 0.00 H new ATOM 0 HG3 MET A 17 5.423 15.491 -6.534 1.00 0.00 H new ATOM 0 HE1 MET A 17 2.531 12.978 -7.531 1.00 0.00 H new ATOM 0 HE2 MET A 17 4.220 13.466 -7.809 1.00 0.00 H new ATOM 0 HE3 MET A 17 3.766 12.655 -6.291 1.00 0.00 H new ATOM 320 N THR A 18 6.277 13.745 -1.877 1.00 0.00 N ATOM 321 CA THR A 18 6.460 12.754 -0.799 1.00 0.00 C ATOM 322 C THR A 18 5.088 12.169 -0.433 1.00 0.00 C ATOM 323 O THR A 18 4.168 12.959 -0.201 1.00 0.00 O ATOM 324 CB THR A 18 7.105 13.411 0.433 1.00 0.00 C ATOM 325 OG1 THR A 18 8.307 14.049 0.054 1.00 0.00 O ATOM 326 CG2 THR A 18 7.455 12.384 1.513 1.00 0.00 C ATOM 0 H THR A 18 5.435 14.306 -1.747 1.00 0.00 H new ATOM 0 HA THR A 18 7.122 11.959 -1.141 1.00 0.00 H new ATOM 0 HB THR A 18 6.380 14.121 0.832 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.716 14.469 0.839 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.908 12.892 2.365 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.548 11.872 1.836 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.158 11.656 1.109 1.00 0.00 H new ATOM 334 N PRO A 19 4.913 10.831 -0.379 1.00 0.00 N ATOM 335 CA PRO A 19 3.652 10.208 0.012 1.00 0.00 C ATOM 336 C PRO A 19 3.460 10.277 1.533 1.00 0.00 C ATOM 337 O PRO A 19 4.422 10.179 2.297 1.00 0.00 O ATOM 338 CB PRO A 19 3.744 8.762 -0.484 1.00 0.00 C ATOM 339 CG PRO A 19 5.237 8.460 -0.383 1.00 0.00 C ATOM 340 CD PRO A 19 5.900 9.803 -0.695 1.00 0.00 C ATOM 0 HA PRO A 19 2.790 10.718 -0.419 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.153 8.085 0.133 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.380 8.662 -1.507 1.00 0.00 H new ATOM 0 HG2 PRO A 19 5.507 8.101 0.610 1.00 0.00 H new ATOM 0 HG3 PRO A 19 5.539 7.690 -1.093 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.804 9.937 -0.102 1.00 0.00 H new ATOM 0 HD3 PRO A 19 6.195 9.857 -1.743 1.00 0.00 H new ATOM 348 N ALA A 20 2.207 10.425 1.969 1.00 0.00 N ATOM 349 CA ALA A 20 1.823 10.510 3.378 1.00 0.00 C ATOM 350 C ALA A 20 0.936 9.320 3.771 1.00 0.00 C ATOM 351 O ALA A 20 -0.183 9.177 3.274 1.00 0.00 O ATOM 352 CB ALA A 20 1.124 11.852 3.616 1.00 0.00 C ATOM 0 H ALA A 20 1.411 10.491 1.334 1.00 0.00 H new ATOM 0 HA ALA A 20 2.709 10.461 4.011 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.832 11.929 4.663 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.805 12.666 3.368 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.237 11.917 2.986 1.00 0.00 H new ATOM 358 N TYR A 21 1.443 8.480 4.677 1.00 0.00 N ATOM 359 CA TYR A 21 0.782 7.268 5.179 1.00 0.00 C ATOM 360 C TYR A 21 0.100 7.498 6.544 1.00 0.00 C ATOM 361 O TYR A 21 0.510 8.366 7.320 1.00 0.00 O ATOM 362 CB TYR A 21 1.813 6.129 5.302 1.00 0.00 C ATOM 363 CG TYR A 21 2.393 5.607 3.998 1.00 0.00 C ATOM 364 CD1 TYR A 21 3.469 6.274 3.378 1.00 0.00 C ATOM 365 CD2 TYR A 21 1.882 4.426 3.420 1.00 0.00 C ATOM 366 CE1 TYR A 21 4.015 5.776 2.180 1.00 0.00 C ATOM 367 CE2 TYR A 21 2.426 3.921 2.223 1.00 0.00 C ATOM 368 CZ TYR A 21 3.491 4.605 1.594 1.00 0.00 C ATOM 369 OH TYR A 21 4.022 4.141 0.430 1.00 0.00 O ATOM 0 H TYR A 21 2.360 8.629 5.098 1.00 0.00 H new ATOM 0 HA TYR A 21 0.005 6.998 4.464 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.635 6.477 5.928 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.343 5.297 5.826 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.876 7.170 3.824 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.067 3.905 3.899 1.00 0.00 H new ATOM 0 HE1 TYR A 21 4.838 6.292 1.708 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.031 3.015 1.788 1.00 0.00 H new ATOM 0 HH TYR A 21 4.884 4.578 0.267 1.00 0.00 H new ATOM 379 N GLU A 22 -0.896 6.671 6.869 1.00 0.00 N ATOM 380 CA GLU A 22 -1.541 6.595 8.185 1.00 0.00 C ATOM 381 C GLU A 22 -1.980 5.149 8.476 1.00 0.00 C ATOM 382 O GLU A 22 -2.279 4.393 7.552 1.00 0.00 O ATOM 383 CB GLU A 22 -2.710 7.598 8.254 1.00 0.00 C ATOM 384 CG GLU A 22 -3.418 7.679 9.614 1.00 0.00 C ATOM 385 CD GLU A 22 -2.461 8.080 10.748 1.00 0.00 C ATOM 386 OE1 GLU A 22 -1.757 7.190 11.284 1.00 0.00 O ATOM 387 OE2 GLU A 22 -2.409 9.280 11.106 1.00 0.00 O ATOM 0 H GLU A 22 -1.291 6.011 6.199 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.831 6.874 8.964 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.334 8.589 7.998 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.444 7.329 7.495 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.231 8.403 9.555 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.867 6.713 9.845 1.00 0.00 H new ATOM 394 N ILE A 23 -1.986 4.748 9.752 1.00 0.00 N ATOM 395 CA ILE A 23 -2.161 3.355 10.217 1.00 0.00 C ATOM 396 C ILE A 23 -3.210 3.283 11.343 1.00 0.00 C ATOM 397 O ILE A 23 -3.332 4.206 12.153 1.00 0.00 O ATOM 398 CB ILE A 23 -0.784 2.764 10.633 1.00 0.00 C ATOM 399 CG1 ILE A 23 0.149 2.677 9.398 1.00 0.00 C ATOM 400 CG2 ILE A 23 -0.915 1.380 11.302 1.00 0.00 C ATOM 401 CD1 ILE A 23 1.550 2.119 9.673 1.00 0.00 C ATOM 0 H ILE A 23 -1.865 5.404 10.523 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.546 2.741 9.402 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.351 3.437 11.373 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.331 2.053 8.644 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.251 3.674 8.969 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.074 1.012 11.573 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.528 1.466 12.199 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.384 0.683 10.607 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.122 2.100 8.746 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.058 2.753 10.400 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.467 1.107 10.069 1.00 0.00 H new ATOM 413 N ARG A 24 -3.970 2.179 11.392 1.00 0.00 N ATOM 414 CA ARG A 24 -5.134 1.980 12.269 1.00 0.00 C ATOM 415 C ARG A 24 -5.237 0.523 12.729 1.00 0.00 C ATOM 416 O ARG A 24 -5.096 -0.398 11.928 1.00 0.00 O ATOM 417 CB ARG A 24 -6.382 2.409 11.483 1.00 0.00 C ATOM 418 CG ARG A 24 -7.658 2.563 12.321 1.00 0.00 C ATOM 419 CD ARG A 24 -8.826 3.096 11.472 1.00 0.00 C ATOM 420 NE ARG A 24 -8.602 4.488 11.023 1.00 0.00 N ATOM 421 CZ ARG A 24 -8.245 4.908 9.810 1.00 0.00 C ATOM 422 NH1 ARG A 24 -8.060 4.110 8.784 1.00 0.00 N ATOM 423 NH2 ARG A 24 -8.045 6.182 9.575 1.00 0.00 N ATOM 0 H ARG A 24 -3.784 1.370 10.800 1.00 0.00 H new ATOM 0 HA ARG A 24 -5.035 2.581 13.173 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.173 3.358 10.990 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -6.568 1.676 10.698 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.930 1.600 12.753 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.470 3.243 13.152 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.963 2.453 10.602 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -9.747 3.047 12.053 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.737 5.214 11.727 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.190 3.104 8.891 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.787 4.496 7.880 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.162 6.863 10.325 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.772 6.492 8.642 1.00 0.00 H new ATOM 437 N ALA A 25 -5.477 0.305 14.017 1.00 0.00 N ATOM 438 CA ALA A 25 -5.548 -1.026 14.640 1.00 0.00 C ATOM 439 C ALA A 25 -6.969 -1.619 14.553 1.00 0.00 C ATOM 440 O ALA A 25 -7.947 -0.896 14.760 1.00 0.00 O ATOM 441 CB ALA A 25 -5.066 -0.900 16.091 1.00 0.00 C ATOM 0 H ALA A 25 -5.633 1.064 14.680 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.903 -1.721 14.102 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.110 -1.876 16.575 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.039 -0.535 16.103 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.706 -0.200 16.628 1.00 0.00 H new ATOM 447 N VAL A 26 -7.087 -2.917 14.257 1.00 0.00 N ATOM 448 CA VAL A 26 -8.362 -3.629 14.025 1.00 0.00 C ATOM 449 C VAL A 26 -8.293 -5.099 14.461 1.00 0.00 C ATOM 450 O VAL A 26 -7.222 -5.703 14.488 1.00 0.00 O ATOM 451 CB VAL A 26 -8.821 -3.561 12.545 1.00 0.00 C ATOM 452 CG1 VAL A 26 -9.240 -2.143 12.127 1.00 0.00 C ATOM 453 CG2 VAL A 26 -7.771 -4.105 11.556 1.00 0.00 C ATOM 0 H VAL A 26 -6.275 -3.527 14.168 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.096 -3.110 14.641 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.693 -4.213 12.495 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -9.553 -2.149 11.083 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.068 -1.809 12.752 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.397 -1.463 12.249 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.155 -4.028 10.539 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.854 -3.522 11.642 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.561 -5.149 11.787 1.00 0.00 H new ATOM 463 N GLY A 27 -9.453 -5.685 14.778 1.00 0.00 N ATOM 464 CA GLY A 27 -9.596 -7.096 15.158 1.00 0.00 C ATOM 465 C GLY A 27 -9.411 -7.349 16.657 1.00 0.00 C ATOM 466 O GLY A 27 -9.611 -6.462 17.490 1.00 0.00 O ATOM 0 H GLY A 27 -10.339 -5.180 14.778 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.584 -7.446 14.858 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.867 -7.688 14.605 1.00 0.00 H new ATOM 470 N ASN A 28 -9.066 -8.592 16.999 1.00 0.00 N ATOM 471 CA ASN A 28 -8.901 -9.066 18.376 1.00 0.00 C ATOM 472 C ASN A 28 -7.692 -8.417 19.089 1.00 0.00 C ATOM 473 O ASN A 28 -6.630 -8.224 18.494 1.00 0.00 O ATOM 474 CB ASN A 28 -8.796 -10.600 18.329 1.00 0.00 C ATOM 475 CG ASN A 28 -8.563 -11.216 19.703 1.00 0.00 C ATOM 476 OD1 ASN A 28 -7.431 -11.338 20.152 1.00 0.00 O ATOM 477 ND2 ASN A 28 -9.609 -11.591 20.415 1.00 0.00 N ATOM 0 H ASN A 28 -8.888 -9.319 16.305 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.764 -8.769 18.972 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.711 -11.010 17.902 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -7.980 -10.884 17.665 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.477 -11.986 21.346 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.549 -11.486 20.034 1.00 0.00 H new ATOM 484 N LYS A 29 -7.837 -8.106 20.384 1.00 0.00 N ATOM 485 CA LYS A 29 -6.824 -7.389 21.181 1.00 0.00 C ATOM 486 C LYS A 29 -5.481 -8.130 21.369 1.00 0.00 C ATOM 487 O LYS A 29 -4.447 -7.483 21.544 1.00 0.00 O ATOM 488 CB LYS A 29 -7.448 -6.962 22.522 1.00 0.00 C ATOM 489 CG LYS A 29 -7.797 -8.142 23.446 1.00 0.00 C ATOM 490 CD LYS A 29 -8.552 -7.695 24.704 1.00 0.00 C ATOM 491 CE LYS A 29 -7.698 -6.805 25.619 1.00 0.00 C ATOM 492 NZ LYS A 29 -8.426 -6.440 26.864 1.00 0.00 N ATOM 0 H LYS A 29 -8.672 -8.347 20.918 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.539 -6.510 20.603 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.755 -6.299 23.040 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.353 -6.387 22.325 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.404 -8.862 22.898 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.881 -8.655 23.738 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.450 -7.152 24.411 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.878 -8.574 25.260 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.775 -7.326 25.876 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.414 -5.899 25.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -7.819 -5.839 27.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.294 -5.921 26.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.675 -7.304 27.387 1.00 0.00 H new ATOM 506 N ASN A 30 -5.477 -9.467 21.291 1.00 0.00 N ATOM 507 CA ASN A 30 -4.271 -10.305 21.332 1.00 0.00 C ATOM 508 C ASN A 30 -3.787 -10.657 19.910 1.00 0.00 C ATOM 509 O ASN A 30 -2.629 -10.408 19.567 1.00 0.00 O ATOM 510 CB ASN A 30 -4.568 -11.561 22.171 1.00 0.00 C ATOM 511 CG ASN A 30 -3.360 -12.489 22.291 1.00 0.00 C ATOM 512 OD1 ASN A 30 -2.238 -12.060 22.532 1.00 0.00 O ATOM 513 ND2 ASN A 30 -3.550 -13.785 22.116 1.00 0.00 N ATOM 0 H ASN A 30 -6.335 -10.010 21.195 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.457 -9.754 21.803 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.890 -11.259 23.168 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.397 -12.107 21.720 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.762 -14.429 22.182 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.485 -14.141 21.915 1.00 0.00 H new ATOM 520 N ARG A 31 -4.690 -11.150 19.050 1.00 0.00 N ATOM 521 CA ARG A 31 -4.446 -11.416 17.621 1.00 0.00 C ATOM 522 C ARG A 31 -4.680 -10.137 16.797 1.00 0.00 C ATOM 523 O ARG A 31 -5.604 -10.047 15.985 1.00 0.00 O ATOM 524 CB ARG A 31 -5.284 -12.619 17.142 1.00 0.00 C ATOM 525 CG ARG A 31 -4.910 -13.921 17.875 1.00 0.00 C ATOM 526 CD ARG A 31 -5.718 -15.125 17.374 1.00 0.00 C ATOM 527 NE ARG A 31 -5.354 -15.504 15.996 1.00 0.00 N ATOM 528 CZ ARG A 31 -5.993 -16.377 15.223 1.00 0.00 C ATOM 529 NH1 ARG A 31 -7.067 -17.019 15.634 1.00 0.00 N ATOM 530 NH2 ARG A 31 -5.549 -16.622 14.010 1.00 0.00 N ATOM 0 H ARG A 31 -5.641 -11.383 19.337 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.403 -11.696 17.471 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.342 -12.407 17.299 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.141 -12.754 16.070 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.847 -14.119 17.740 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.077 -13.794 18.945 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.553 -15.973 18.038 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.781 -14.890 17.416 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.531 -15.052 15.597 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.433 -16.853 16.571 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.533 -17.682 15.015 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.717 -16.143 13.665 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.036 -17.291 13.414 1.00 0.00 H new ATOM 544 N GLN A 32 -3.863 -9.121 17.081 1.00 0.00 N ATOM 545 CA GLN A 32 -3.978 -7.758 16.560 1.00 0.00 C ATOM 546 C GLN A 32 -3.663 -7.700 15.056 1.00 0.00 C ATOM 547 O GLN A 32 -2.762 -8.386 14.570 1.00 0.00 O ATOM 548 CB GLN A 32 -3.029 -6.862 17.381 1.00 0.00 C ATOM 549 CG GLN A 32 -3.121 -5.357 17.078 1.00 0.00 C ATOM 550 CD GLN A 32 -4.475 -4.758 17.455 1.00 0.00 C ATOM 551 OE1 GLN A 32 -5.382 -4.651 16.642 1.00 0.00 O ATOM 552 NE2 GLN A 32 -4.676 -4.356 18.694 1.00 0.00 N ATOM 0 H GLN A 32 -3.067 -9.231 17.709 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.003 -7.402 16.662 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.236 -7.016 18.440 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.004 -7.189 17.206 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.334 -4.833 17.620 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.940 -5.193 16.016 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.930 -4.438 19.384 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -5.578 -3.963 18.963 1.00 0.00 H new ATOM 561 N LYS A 33 -4.389 -6.846 14.330 1.00 0.00 N ATOM 562 CA LYS A 33 -4.200 -6.561 12.901 1.00 0.00 C ATOM 563 C LYS A 33 -4.214 -5.046 12.636 1.00 0.00 C ATOM 564 O LYS A 33 -4.736 -4.259 13.434 1.00 0.00 O ATOM 565 CB LYS A 33 -5.286 -7.282 12.076 1.00 0.00 C ATOM 566 CG LYS A 33 -5.067 -8.801 11.998 1.00 0.00 C ATOM 567 CD LYS A 33 -6.168 -9.468 11.161 1.00 0.00 C ATOM 568 CE LYS A 33 -5.958 -10.985 11.040 1.00 0.00 C ATOM 569 NZ LYS A 33 -4.846 -11.337 10.116 1.00 0.00 N ATOM 0 H LYS A 33 -5.157 -6.311 14.736 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.224 -6.936 12.593 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.263 -7.083 12.517 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.302 -6.870 11.067 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.092 -9.010 11.558 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.061 -9.224 13.002 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.139 -9.271 11.616 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.186 -9.024 10.166 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.750 -11.399 12.027 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.879 -11.449 10.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.812 -12.369 9.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.003 -10.882 9.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.945 -11.007 10.516 1.00 0.00 H new ATOM 583 N PHE A 34 -3.652 -4.634 11.499 1.00 0.00 N ATOM 584 CA PHE A 34 -3.437 -3.234 11.147 1.00 0.00 C ATOM 585 C PHE A 34 -3.894 -2.935 9.718 1.00 0.00 C ATOM 586 O PHE A 34 -3.526 -3.628 8.770 1.00 0.00 O ATOM 587 CB PHE A 34 -1.952 -2.882 11.326 1.00 0.00 C ATOM 588 CG PHE A 34 -1.454 -3.035 12.751 1.00 0.00 C ATOM 589 CD1 PHE A 34 -1.812 -2.083 13.726 1.00 0.00 C ATOM 590 CD2 PHE A 34 -0.664 -4.142 13.110 1.00 0.00 C ATOM 591 CE1 PHE A 34 -1.382 -2.241 15.054 1.00 0.00 C ATOM 592 CE2 PHE A 34 -0.228 -4.295 14.438 1.00 0.00 C ATOM 593 CZ PHE A 34 -0.587 -3.345 15.411 1.00 0.00 C ATOM 0 H PHE A 34 -3.327 -5.282 10.781 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.039 -2.616 11.813 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.356 -3.519 10.672 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.790 -1.854 11.003 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.417 -1.231 13.452 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.392 -4.875 12.365 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.662 -1.514 15.802 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.383 -5.143 14.711 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.253 -3.463 16.431 1.00 0.00 H new ATOM 603 N MET A 35 -4.679 -1.871 9.582 1.00 0.00 N ATOM 604 CA MET A 35 -5.032 -1.236 8.314 1.00 0.00 C ATOM 605 C MET A 35 -4.088 -0.061 8.072 1.00 0.00 C ATOM 606 O MET A 35 -3.561 0.533 9.016 1.00 0.00 O ATOM 607 CB MET A 35 -6.484 -0.733 8.312 1.00 0.00 C ATOM 608 CG MET A 35 -7.491 -1.794 8.761 1.00 0.00 C ATOM 609 SD MET A 35 -9.213 -1.408 8.347 1.00 0.00 S ATOM 610 CE MET A 35 -9.195 -1.822 6.583 1.00 0.00 C ATOM 0 H MET A 35 -5.105 -1.407 10.385 1.00 0.00 H new ATOM 0 HA MET A 35 -4.937 -1.978 7.521 1.00 0.00 H new ATOM 0 HB2 MET A 35 -6.562 0.134 8.969 1.00 0.00 H new ATOM 0 HB3 MET A 35 -6.744 -0.397 7.308 1.00 0.00 H new ATOM 0 HG2 MET A 35 -7.225 -2.747 8.305 1.00 0.00 H new ATOM 0 HG3 MET A 35 -7.409 -1.923 9.840 1.00 0.00 H new ATOM 0 HE1 MET A 35 -10.211 -1.781 6.189 1.00 0.00 H new ATOM 0 HE2 MET A 35 -8.569 -1.108 6.048 1.00 0.00 H new ATOM 0 HE3 MET A 35 -8.794 -2.827 6.449 1.00 0.00 H new ATOM 620 N CYS A 36 -3.907 0.310 6.811 1.00 0.00 N ATOM 621 CA CYS A 36 -3.114 1.460 6.401 1.00 0.00 C ATOM 622 C CYS A 36 -3.773 2.162 5.211 1.00 0.00 C ATOM 623 O CYS A 36 -4.432 1.523 4.391 1.00 0.00 O ATOM 624 CB CYS A 36 -1.689 0.976 6.104 1.00 0.00 C ATOM 625 SG CYS A 36 -0.618 2.383 5.705 1.00 0.00 S ATOM 0 H CYS A 36 -4.319 -0.194 6.026 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.061 2.205 7.195 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.292 0.441 6.967 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -1.702 0.273 5.271 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.027 3.436 6.348 1.00 0.00 H new ATOM 631 N GLU A 37 -3.577 3.470 5.115 1.00 0.00 N ATOM 632 CA GLU A 37 -4.009 4.315 4.014 1.00 0.00 C ATOM 633 C GLU A 37 -2.877 5.274 3.617 1.00 0.00 C ATOM 634 O GLU A 37 -2.052 5.640 4.457 1.00 0.00 O ATOM 635 CB GLU A 37 -5.305 5.050 4.391 1.00 0.00 C ATOM 636 CG GLU A 37 -5.180 5.977 5.608 1.00 0.00 C ATOM 637 CD GLU A 37 -6.531 6.605 5.961 1.00 0.00 C ATOM 638 OE1 GLU A 37 -6.899 7.627 5.334 1.00 0.00 O ATOM 639 OE2 GLU A 37 -7.218 6.082 6.870 1.00 0.00 O ATOM 0 H GLU A 37 -3.088 3.995 5.840 1.00 0.00 H new ATOM 0 HA GLU A 37 -4.233 3.703 3.140 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.637 5.638 3.535 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.082 4.312 4.591 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.803 5.414 6.461 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.454 6.762 5.398 1.00 0.00 H new ATOM 646 N VAL A 38 -2.834 5.675 2.346 1.00 0.00 N ATOM 647 CA VAL A 38 -1.799 6.554 1.780 1.00 0.00 C ATOM 648 C VAL A 38 -2.395 7.557 0.790 1.00 0.00 C ATOM 649 O VAL A 38 -3.327 7.240 0.046 1.00 0.00 O ATOM 650 CB VAL A 38 -0.630 5.747 1.165 1.00 0.00 C ATOM 651 CG1 VAL A 38 -1.025 4.994 -0.113 1.00 0.00 C ATOM 652 CG2 VAL A 38 0.587 6.635 0.857 1.00 0.00 C ATOM 0 H VAL A 38 -3.534 5.392 1.660 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.378 7.132 2.603 1.00 0.00 H new ATOM 0 HB VAL A 38 -0.364 5.016 1.929 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.162 4.448 -0.495 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.828 4.292 0.112 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.365 5.706 -0.865 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.382 6.026 0.427 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.301 7.411 0.148 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.942 7.098 1.778 1.00 0.00 H new ATOM 662 N ARG A 39 -1.853 8.778 0.824 1.00 0.00 N ATOM 663 CA ARG A 39 -2.315 9.959 0.088 1.00 0.00 C ATOM 664 C ARG A 39 -1.109 10.754 -0.446 1.00 0.00 C ATOM 665 O ARG A 39 -0.002 10.641 0.084 1.00 0.00 O ATOM 666 CB ARG A 39 -3.182 10.837 1.017 1.00 0.00 C ATOM 667 CG ARG A 39 -4.374 10.086 1.640 1.00 0.00 C ATOM 668 CD ARG A 39 -5.243 11.004 2.507 1.00 0.00 C ATOM 669 NE ARG A 39 -6.262 10.226 3.241 1.00 0.00 N ATOM 670 CZ ARG A 39 -7.567 10.458 3.319 1.00 0.00 C ATOM 671 NH1 ARG A 39 -8.152 11.463 2.700 1.00 0.00 N ATOM 672 NH2 ARG A 39 -8.309 9.652 4.042 1.00 0.00 N ATOM 0 H ARG A 39 -1.034 8.980 1.398 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.919 9.645 -0.763 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.556 11.234 1.816 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.556 11.690 0.451 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.984 9.653 0.847 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.004 9.259 2.246 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.614 11.546 3.214 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.731 11.749 1.879 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.921 9.411 3.750 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.598 12.103 2.131 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.159 11.601 2.790 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.881 8.866 4.530 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.314 9.812 4.115 1.00 0.00 H new ATOM 686 N VAL A 40 -1.320 11.568 -1.481 1.00 0.00 N ATOM 687 CA VAL A 40 -0.291 12.399 -2.142 1.00 0.00 C ATOM 688 C VAL A 40 -0.908 13.758 -2.497 1.00 0.00 C ATOM 689 O VAL A 40 -2.036 13.815 -2.984 1.00 0.00 O ATOM 690 CB VAL A 40 0.283 11.713 -3.411 1.00 0.00 C ATOM 691 CG1 VAL A 40 1.394 12.556 -4.059 1.00 0.00 C ATOM 692 CG2 VAL A 40 0.870 10.319 -3.118 1.00 0.00 C ATOM 0 H VAL A 40 -2.242 11.677 -1.903 1.00 0.00 H new ATOM 0 HA VAL A 40 0.543 12.534 -1.453 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.565 11.614 -4.089 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.771 12.043 -4.944 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.993 13.528 -4.346 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.207 12.695 -3.347 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.257 9.886 -4.040 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.679 10.410 -2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.090 9.674 -2.713 1.00 0.00 H new ATOM 702 N GLU A 41 -0.179 14.847 -2.230 1.00 0.00 N ATOM 703 CA GLU A 41 -0.632 16.222 -2.475 1.00 0.00 C ATOM 704 C GLU A 41 -0.946 16.459 -3.966 1.00 0.00 C ATOM 705 O GLU A 41 -0.135 16.152 -4.842 1.00 0.00 O ATOM 706 CB GLU A 41 0.428 17.207 -1.954 1.00 0.00 C ATOM 707 CG GLU A 41 -0.049 18.664 -2.007 1.00 0.00 C ATOM 708 CD GLU A 41 0.987 19.608 -1.378 1.00 0.00 C ATOM 709 OE1 GLU A 41 0.916 19.860 -0.150 1.00 0.00 O ATOM 710 OE2 GLU A 41 1.873 20.116 -2.105 1.00 0.00 O ATOM 0 H GLU A 41 0.758 14.798 -1.831 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.563 16.389 -1.934 1.00 0.00 H new ATOM 0 HB2 GLU A 41 0.685 16.949 -0.927 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.338 17.104 -2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.228 18.954 -3.042 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.999 18.758 -1.480 1.00 0.00 H new ATOM 717 N GLY A 42 -2.136 17.004 -4.250 1.00 0.00 N ATOM 718 CA GLY A 42 -2.639 17.241 -5.613 1.00 0.00 C ATOM 719 C GLY A 42 -3.495 16.100 -6.183 1.00 0.00 C ATOM 720 O GLY A 42 -3.949 16.206 -7.323 1.00 0.00 O ATOM 0 H GLY A 42 -2.791 17.299 -3.525 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.230 18.157 -5.615 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.790 17.408 -6.276 1.00 0.00 H new ATOM 724 N PHE A 43 -3.748 15.042 -5.402 1.00 0.00 N ATOM 725 CA PHE A 43 -4.579 13.890 -5.772 1.00 0.00 C ATOM 726 C PHE A 43 -5.659 13.655 -4.704 1.00 0.00 C ATOM 727 O PHE A 43 -5.359 13.553 -3.514 1.00 0.00 O ATOM 728 CB PHE A 43 -3.689 12.647 -5.958 1.00 0.00 C ATOM 729 CG PHE A 43 -2.638 12.791 -7.045 1.00 0.00 C ATOM 730 CD1 PHE A 43 -1.376 13.335 -6.735 1.00 0.00 C ATOM 731 CD2 PHE A 43 -2.927 12.419 -8.374 1.00 0.00 C ATOM 732 CE1 PHE A 43 -0.420 13.523 -7.747 1.00 0.00 C ATOM 733 CE2 PHE A 43 -1.962 12.592 -9.382 1.00 0.00 C ATOM 734 CZ PHE A 43 -0.709 13.148 -9.070 1.00 0.00 C ATOM 0 H PHE A 43 -3.365 14.962 -4.460 1.00 0.00 H new ATOM 0 HA PHE A 43 -5.084 14.090 -6.717 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -3.191 12.426 -5.014 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -4.323 11.792 -6.192 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.143 13.608 -5.716 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.892 12.000 -8.618 1.00 0.00 H new ATOM 0 HE1 PHE A 43 0.540 13.957 -7.508 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.184 12.297 -10.397 1.00 0.00 H new ATOM 0 HZ PHE A 43 0.030 13.287 -9.845 1.00 0.00 H new ATOM 744 N ASN A 44 -6.923 13.576 -5.133 1.00 0.00 N ATOM 745 CA ASN A 44 -8.084 13.461 -4.235 1.00 0.00 C ATOM 746 C ASN A 44 -8.329 12.035 -3.688 1.00 0.00 C ATOM 747 O ASN A 44 -9.125 11.853 -2.764 1.00 0.00 O ATOM 748 CB ASN A 44 -9.330 14.024 -4.943 1.00 0.00 C ATOM 749 CG ASN A 44 -9.755 13.204 -6.161 1.00 0.00 C ATOM 750 OD1 ASN A 44 -10.255 12.092 -6.048 1.00 0.00 O ATOM 751 ND2 ASN A 44 -9.566 13.726 -7.362 1.00 0.00 N ATOM 0 H ASN A 44 -7.174 13.590 -6.121 1.00 0.00 H new ATOM 0 HA ASN A 44 -7.862 14.054 -3.347 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -10.156 14.063 -4.233 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.130 15.049 -5.255 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.837 13.202 -8.194 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -9.149 14.652 -7.456 1.00 0.00 H new ATOM 758 N TYR A 45 -7.649 11.023 -4.239 1.00 0.00 N ATOM 759 CA TYR A 45 -7.787 9.618 -3.845 1.00 0.00 C ATOM 760 C TYR A 45 -7.032 9.279 -2.545 1.00 0.00 C ATOM 761 O TYR A 45 -6.040 9.923 -2.193 1.00 0.00 O ATOM 762 CB TYR A 45 -7.319 8.735 -5.010 1.00 0.00 C ATOM 763 CG TYR A 45 -7.689 7.268 -4.886 1.00 0.00 C ATOM 764 CD1 TYR A 45 -9.026 6.873 -5.081 1.00 0.00 C ATOM 765 CD2 TYR A 45 -6.710 6.298 -4.590 1.00 0.00 C ATOM 766 CE1 TYR A 45 -9.386 5.515 -5.000 1.00 0.00 C ATOM 767 CE2 TYR A 45 -7.063 4.937 -4.507 1.00 0.00 C ATOM 768 CZ TYR A 45 -8.401 4.539 -4.724 1.00 0.00 C ATOM 769 OH TYR A 45 -8.738 3.219 -4.690 1.00 0.00 O ATOM 0 H TYR A 45 -6.972 11.163 -4.989 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.837 9.425 -3.627 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -7.742 9.125 -5.936 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.235 8.816 -5.096 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.780 7.616 -5.294 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.686 6.599 -4.426 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.414 5.219 -5.149 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -6.310 4.197 -4.277 1.00 0.00 H new ATOM 0 HH TYR A 45 -7.943 2.683 -4.488 1.00 0.00 H new ATOM 779 N ALA A 46 -7.482 8.226 -1.858 1.00 0.00 N ATOM 780 CA ALA A 46 -6.794 7.613 -0.724 1.00 0.00 C ATOM 781 C ALA A 46 -6.781 6.088 -0.911 1.00 0.00 C ATOM 782 O ALA A 46 -7.817 5.429 -0.793 1.00 0.00 O ATOM 783 CB ALA A 46 -7.485 8.056 0.574 1.00 0.00 C ATOM 0 H ALA A 46 -8.363 7.764 -2.084 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.755 7.937 -0.664 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.980 7.604 1.428 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.439 9.142 0.658 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.527 7.737 0.559 1.00 0.00 H new ATOM 789 N GLY A 47 -5.604 5.541 -1.228 1.00 0.00 N ATOM 790 CA GLY A 47 -5.392 4.101 -1.408 1.00 0.00 C ATOM 791 C GLY A 47 -5.148 3.439 -0.061 1.00 0.00 C ATOM 792 O GLY A 47 -4.523 4.047 0.811 1.00 0.00 O ATOM 0 H GLY A 47 -4.759 6.094 -1.369 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.262 3.654 -1.890 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.540 3.930 -2.066 1.00 0.00 H new ATOM 796 N MET A 48 -5.635 2.213 0.129 1.00 0.00 N ATOM 797 CA MET A 48 -5.665 1.545 1.430 1.00 0.00 C ATOM 798 C MET A 48 -5.539 0.019 1.359 1.00 0.00 C ATOM 799 O MET A 48 -5.895 -0.616 0.365 1.00 0.00 O ATOM 800 CB MET A 48 -6.923 1.976 2.201 1.00 0.00 C ATOM 801 CG MET A 48 -8.239 1.610 1.498 1.00 0.00 C ATOM 802 SD MET A 48 -9.739 2.039 2.424 1.00 0.00 S ATOM 803 CE MET A 48 -9.637 0.839 3.780 1.00 0.00 C ATOM 0 H MET A 48 -6.025 1.649 -0.626 1.00 0.00 H new ATOM 0 HA MET A 48 -4.775 1.867 1.970 1.00 0.00 H new ATOM 0 HB2 MET A 48 -6.909 1.514 3.188 1.00 0.00 H new ATOM 0 HB3 MET A 48 -6.892 3.055 2.354 1.00 0.00 H new ATOM 0 HG2 MET A 48 -8.270 2.111 0.531 1.00 0.00 H new ATOM 0 HG3 MET A 48 -8.244 0.538 1.302 1.00 0.00 H new ATOM 0 HE1 MET A 48 -10.577 0.833 4.332 1.00 0.00 H new ATOM 0 HE2 MET A 48 -9.449 -0.155 3.373 1.00 0.00 H new ATOM 0 HE3 MET A 48 -8.824 1.116 4.451 1.00 0.00 H new ATOM 813 N GLY A 49 -5.008 -0.558 2.439 1.00 0.00 N ATOM 814 CA GLY A 49 -4.754 -1.988 2.617 1.00 0.00 C ATOM 815 C GLY A 49 -4.753 -2.407 4.085 1.00 0.00 C ATOM 816 O GLY A 49 -4.978 -1.587 4.974 1.00 0.00 O ATOM 0 H GLY A 49 -4.730 -0.012 3.254 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.514 -2.557 2.081 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.792 -2.241 2.170 1.00 0.00 H new ATOM 820 N ASN A 50 -4.491 -3.687 4.347 1.00 0.00 N ATOM 821 CA ASN A 50 -4.372 -4.241 5.702 1.00 0.00 C ATOM 822 C ASN A 50 -3.499 -5.509 5.756 1.00 0.00 C ATOM 823 O ASN A 50 -3.264 -6.145 4.728 1.00 0.00 O ATOM 824 CB ASN A 50 -5.772 -4.479 6.303 1.00 0.00 C ATOM 825 CG ASN A 50 -6.509 -5.650 5.656 1.00 0.00 C ATOM 826 OD1 ASN A 50 -6.331 -6.802 6.034 1.00 0.00 O ATOM 827 ND2 ASN A 50 -7.355 -5.394 4.673 1.00 0.00 N ATOM 0 H ASN A 50 -4.353 -4.382 3.614 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.853 -3.503 6.314 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -5.675 -4.664 7.373 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -6.369 -3.574 6.189 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.863 -6.157 4.226 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.500 -4.433 4.362 1.00 0.00 H new ATOM 834 N SER A 51 -3.039 -5.877 6.953 1.00 0.00 N ATOM 835 CA SER A 51 -2.334 -7.134 7.260 1.00 0.00 C ATOM 836 C SER A 51 -2.205 -7.343 8.787 1.00 0.00 C ATOM 837 O SER A 51 -2.671 -6.520 9.580 1.00 0.00 O ATOM 838 CB SER A 51 -0.951 -7.167 6.581 1.00 0.00 C ATOM 839 OG SER A 51 -0.427 -8.487 6.608 1.00 0.00 O ATOM 0 H SER A 51 -3.150 -5.284 7.775 1.00 0.00 H new ATOM 0 HA SER A 51 -2.927 -7.956 6.860 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.034 -6.821 5.551 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.270 -6.486 7.092 1.00 0.00 H new ATOM 0 HG SER A 51 0.451 -8.499 6.173 1.00 0.00 H new ATOM 845 N THR A 52 -1.548 -8.428 9.214 1.00 0.00 N ATOM 846 CA THR A 52 -1.168 -8.700 10.615 1.00 0.00 C ATOM 847 C THR A 52 0.016 -7.837 11.071 1.00 0.00 C ATOM 848 O THR A 52 0.249 -7.695 12.270 1.00 0.00 O ATOM 849 CB THR A 52 -0.878 -10.201 10.785 1.00 0.00 C ATOM 850 OG1 THR A 52 -1.955 -10.935 10.237 1.00 0.00 O ATOM 851 CG2 THR A 52 -0.752 -10.649 12.242 1.00 0.00 C ATOM 0 H THR A 52 -1.254 -9.168 8.577 1.00 0.00 H new ATOM 0 HA THR A 52 -2.004 -8.427 11.259 1.00 0.00 H new ATOM 0 HB THR A 52 0.074 -10.381 10.286 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.782 -11.894 10.337 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.548 -11.719 12.277 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.065 -10.108 12.720 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.683 -10.440 12.769 1.00 0.00 H new ATOM 859 N ASN A 53 0.734 -7.209 10.134 1.00 0.00 N ATOM 860 CA ASN A 53 1.928 -6.392 10.377 1.00 0.00 C ATOM 861 C ASN A 53 1.951 -5.114 9.516 1.00 0.00 C ATOM 862 O ASN A 53 1.483 -5.083 8.375 1.00 0.00 O ATOM 863 CB ASN A 53 3.193 -7.250 10.184 1.00 0.00 C ATOM 864 CG ASN A 53 3.404 -7.689 8.735 1.00 0.00 C ATOM 865 OD1 ASN A 53 2.639 -8.467 8.181 1.00 0.00 O ATOM 866 ND2 ASN A 53 4.442 -7.199 8.081 1.00 0.00 N ATOM 0 H ASN A 53 0.489 -7.258 9.145 1.00 0.00 H new ATOM 0 HA ASN A 53 1.901 -6.046 11.410 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.063 -6.684 10.516 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.126 -8.133 10.819 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.608 -7.469 7.111 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.078 -6.551 8.546 1.00 0.00 H new ATOM 873 N LYS A 54 2.520 -4.038 10.072 1.00 0.00 N ATOM 874 CA LYS A 54 2.439 -2.676 9.519 1.00 0.00 C ATOM 875 C LYS A 54 3.186 -2.461 8.191 1.00 0.00 C ATOM 876 O LYS A 54 2.773 -1.618 7.393 1.00 0.00 O ATOM 877 CB LYS A 54 2.920 -1.689 10.600 1.00 0.00 C ATOM 878 CG LYS A 54 1.942 -1.617 11.786 1.00 0.00 C ATOM 879 CD LYS A 54 2.422 -0.619 12.846 1.00 0.00 C ATOM 880 CE LYS A 54 1.436 -0.595 14.023 1.00 0.00 C ATOM 881 NZ LYS A 54 1.880 0.331 15.098 1.00 0.00 N ATOM 0 H LYS A 54 3.061 -4.088 10.936 1.00 0.00 H new ATOM 0 HA LYS A 54 1.396 -2.499 9.257 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.903 -1.994 10.958 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.033 -0.697 10.162 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.955 -1.324 11.428 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.838 -2.605 12.235 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.415 -0.898 13.198 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.506 0.376 12.410 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.452 -0.292 13.666 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.332 -1.601 14.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 1.188 0.319 15.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.808 0.027 15.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.955 1.295 14.716 1.00 0.00 H new ATOM 895 N LYS A 55 4.257 -3.212 7.911 1.00 0.00 N ATOM 896 CA LYS A 55 4.976 -3.137 6.623 1.00 0.00 C ATOM 897 C LYS A 55 4.129 -3.678 5.457 1.00 0.00 C ATOM 898 O LYS A 55 4.042 -3.042 4.406 1.00 0.00 O ATOM 899 CB LYS A 55 6.326 -3.879 6.715 1.00 0.00 C ATOM 900 CG LYS A 55 7.501 -3.006 7.188 1.00 0.00 C ATOM 901 CD LYS A 55 7.407 -2.538 8.648 1.00 0.00 C ATOM 902 CE LYS A 55 8.695 -1.781 9.007 1.00 0.00 C ATOM 903 NZ LYS A 55 8.748 -1.401 10.444 1.00 0.00 N ATOM 0 H LYS A 55 4.653 -3.888 8.564 1.00 0.00 H new ATOM 0 HA LYS A 55 5.169 -2.085 6.415 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.218 -4.722 7.398 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.567 -4.292 5.735 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.427 -3.567 7.059 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.567 -2.129 6.543 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.539 -1.892 8.783 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.274 -3.393 9.311 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.557 -2.403 8.766 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.768 -0.883 8.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.693 -1.031 10.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.035 -0.669 10.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.553 -2.237 11.032 1.00 0.00 H new ATOM 917 N ASP A 56 3.437 -4.801 5.653 1.00 0.00 N ATOM 918 CA ASP A 56 2.557 -5.395 4.638 1.00 0.00 C ATOM 919 C ASP A 56 1.253 -4.603 4.472 1.00 0.00 C ATOM 920 O ASP A 56 0.760 -4.468 3.353 1.00 0.00 O ATOM 921 CB ASP A 56 2.269 -6.857 4.991 1.00 0.00 C ATOM 922 CG ASP A 56 3.429 -7.786 4.593 1.00 0.00 C ATOM 923 OD1 ASP A 56 4.468 -7.794 5.296 1.00 0.00 O ATOM 924 OD2 ASP A 56 3.296 -8.502 3.573 1.00 0.00 O ATOM 0 H ASP A 56 3.469 -5.330 6.525 1.00 0.00 H new ATOM 0 HA ASP A 56 3.074 -5.355 3.679 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.088 -6.942 6.062 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.358 -7.179 4.487 1.00 0.00 H new ATOM 929 N ALA A 57 0.735 -4.000 5.549 1.00 0.00 N ATOM 930 CA ALA A 57 -0.397 -3.075 5.471 1.00 0.00 C ATOM 931 C ALA A 57 -0.055 -1.826 4.635 1.00 0.00 C ATOM 932 O ALA A 57 -0.821 -1.463 3.741 1.00 0.00 O ATOM 933 CB ALA A 57 -0.840 -2.733 6.900 1.00 0.00 C ATOM 0 H ALA A 57 1.089 -4.140 6.495 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.230 -3.548 4.950 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.684 -2.044 6.864 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.138 -3.645 7.417 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.013 -2.267 7.435 1.00 0.00 H new ATOM 939 N GLN A 58 1.115 -1.214 4.865 1.00 0.00 N ATOM 940 CA GLN A 58 1.630 -0.106 4.048 1.00 0.00 C ATOM 941 C GLN A 58 1.897 -0.528 2.599 1.00 0.00 C ATOM 942 O GLN A 58 1.611 0.237 1.685 1.00 0.00 O ATOM 943 CB GLN A 58 2.931 0.446 4.651 1.00 0.00 C ATOM 944 CG GLN A 58 2.700 1.353 5.866 1.00 0.00 C ATOM 945 CD GLN A 58 4.013 1.692 6.565 1.00 0.00 C ATOM 946 OE1 GLN A 58 4.659 2.698 6.300 1.00 0.00 O ATOM 947 NE2 GLN A 58 4.467 0.850 7.469 1.00 0.00 N ATOM 0 H GLN A 58 1.736 -1.476 5.630 1.00 0.00 H new ATOM 0 HA GLN A 58 0.859 0.664 4.045 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.569 -0.387 4.945 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.469 1.005 3.886 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.208 2.272 5.548 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.029 0.859 6.569 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.935 0.010 7.696 1.00 0.00 H new ATOM 0 HE22 GLN A 58 5.351 1.038 7.943 1.00 0.00 H new ATOM 956 N SER A 59 2.400 -1.741 2.367 1.00 0.00 N ATOM 957 CA SER A 59 2.620 -2.268 1.010 1.00 0.00 C ATOM 958 C SER A 59 1.306 -2.436 0.237 1.00 0.00 C ATOM 959 O SER A 59 1.234 -2.129 -0.953 1.00 0.00 O ATOM 960 CB SER A 59 3.330 -3.624 1.070 1.00 0.00 C ATOM 961 OG SER A 59 4.598 -3.515 1.692 1.00 0.00 O ATOM 0 H SER A 59 2.667 -2.388 3.109 1.00 0.00 H new ATOM 0 HA SER A 59 3.240 -1.540 0.488 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.713 -4.336 1.619 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.450 -4.019 0.061 1.00 0.00 H new ATOM 0 HG SER A 59 4.479 -3.331 2.647 1.00 0.00 H new ATOM 967 N ASN A 60 0.245 -2.873 0.920 1.00 0.00 N ATOM 968 CA ASN A 60 -1.081 -3.038 0.327 1.00 0.00 C ATOM 969 C ASN A 60 -1.763 -1.674 0.088 1.00 0.00 C ATOM 970 O ASN A 60 -2.376 -1.476 -0.962 1.00 0.00 O ATOM 971 CB ASN A 60 -1.917 -3.993 1.201 1.00 0.00 C ATOM 972 CG ASN A 60 -1.440 -5.448 1.138 1.00 0.00 C ATOM 973 OD1 ASN A 60 -0.813 -5.889 0.180 1.00 0.00 O ATOM 974 ND2 ASN A 60 -1.742 -6.256 2.140 1.00 0.00 N ATOM 0 H ASN A 60 0.284 -3.124 1.908 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.988 -3.492 -0.659 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.882 -3.651 2.235 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.959 -3.946 0.884 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.454 -7.234 2.111 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.263 -5.901 2.942 1.00 0.00 H new ATOM 981 N ALA A 61 -1.581 -0.702 0.991 1.00 0.00 N ATOM 982 CA ALA A 61 -2.002 0.688 0.785 1.00 0.00 C ATOM 983 C ALA A 61 -1.277 1.350 -0.398 1.00 0.00 C ATOM 984 O ALA A 61 -1.920 1.973 -1.242 1.00 0.00 O ATOM 985 CB ALA A 61 -1.778 1.467 2.088 1.00 0.00 C ATOM 0 H ALA A 61 -1.133 -0.861 1.893 1.00 0.00 H new ATOM 0 HA ALA A 61 -3.061 0.699 0.527 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.087 2.503 1.950 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.367 1.016 2.887 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.721 1.436 2.354 1.00 0.00 H new ATOM 991 N ALA A 62 0.043 1.156 -0.500 1.00 0.00 N ATOM 992 CA ALA A 62 0.856 1.637 -1.615 1.00 0.00 C ATOM 993 C ALA A 62 0.393 1.028 -2.941 1.00 0.00 C ATOM 994 O ALA A 62 0.121 1.770 -3.887 1.00 0.00 O ATOM 995 CB ALA A 62 2.328 1.325 -1.320 1.00 0.00 C ATOM 0 H ALA A 62 0.582 0.651 0.204 1.00 0.00 H new ATOM 0 HA ALA A 62 0.739 2.716 -1.718 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.947 1.679 -2.144 1.00 0.00 H new ATOM 0 HB2 ALA A 62 2.629 1.826 -0.400 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.456 0.249 -1.206 1.00 0.00 H new ATOM 1001 N ARG A 63 0.219 -0.300 -2.998 1.00 0.00 N ATOM 1002 CA ARG A 63 -0.270 -0.988 -4.195 1.00 0.00 C ATOM 1003 C ARG A 63 -1.639 -0.463 -4.640 1.00 0.00 C ATOM 1004 O ARG A 63 -1.840 -0.254 -5.831 1.00 0.00 O ATOM 1005 CB ARG A 63 -0.303 -2.511 -3.958 1.00 0.00 C ATOM 1006 CG ARG A 63 -0.655 -3.316 -5.223 1.00 0.00 C ATOM 1007 CD ARG A 63 0.390 -3.214 -6.350 1.00 0.00 C ATOM 1008 NE ARG A 63 -0.251 -3.288 -7.674 1.00 0.00 N ATOM 1009 CZ ARG A 63 0.025 -4.103 -8.683 1.00 0.00 C ATOM 1010 NH1 ARG A 63 0.976 -5.014 -8.630 1.00 0.00 N ATOM 1011 NH2 ARG A 63 -0.679 -3.986 -9.785 1.00 0.00 N ATOM 0 H ARG A 63 0.414 -0.924 -2.215 1.00 0.00 H new ATOM 0 HA ARG A 63 0.424 -0.778 -5.008 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.670 -2.835 -3.588 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.031 -2.735 -3.179 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.777 -4.364 -4.950 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -1.617 -2.971 -5.603 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.937 -2.276 -6.259 1.00 0.00 H new ATOM 0 HD3 ARG A 63 1.118 -4.019 -6.249 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.008 -2.624 -7.836 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.538 -5.116 -7.785 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.150 -5.617 -9.434 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -1.415 -3.282 -9.848 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.490 -4.599 -10.578 1.00 0.00 H new ATOM 1025 N ASP A 64 -2.554 -0.183 -3.711 1.00 0.00 N ATOM 1026 CA ASP A 64 -3.892 0.336 -4.022 1.00 0.00 C ATOM 1027 C ASP A 64 -3.873 1.792 -4.536 1.00 0.00 C ATOM 1028 O ASP A 64 -4.660 2.141 -5.418 1.00 0.00 O ATOM 1029 CB ASP A 64 -4.775 0.173 -2.778 1.00 0.00 C ATOM 1030 CG ASP A 64 -6.262 0.441 -3.057 1.00 0.00 C ATOM 1031 OD1 ASP A 64 -6.825 -0.195 -3.980 1.00 0.00 O ATOM 1032 OD2 ASP A 64 -6.861 1.257 -2.320 1.00 0.00 O ATOM 0 H ASP A 64 -2.389 -0.310 -2.713 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.308 -0.242 -4.847 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.661 -0.839 -2.388 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.428 0.855 -2.001 1.00 0.00 H new ATOM 1037 N PHE A 65 -2.928 2.620 -4.066 1.00 0.00 N ATOM 1038 CA PHE A 65 -2.715 3.973 -4.596 1.00 0.00 C ATOM 1039 C PHE A 65 -1.960 3.960 -5.935 1.00 0.00 C ATOM 1040 O PHE A 65 -2.319 4.704 -6.843 1.00 0.00 O ATOM 1041 CB PHE A 65 -2.003 4.846 -3.556 1.00 0.00 C ATOM 1042 CG PHE A 65 -2.019 6.325 -3.908 1.00 0.00 C ATOM 1043 CD1 PHE A 65 -1.015 6.877 -4.725 1.00 0.00 C ATOM 1044 CD2 PHE A 65 -3.071 7.146 -3.457 1.00 0.00 C ATOM 1045 CE1 PHE A 65 -1.068 8.235 -5.090 1.00 0.00 C ATOM 1046 CE2 PHE A 65 -3.128 8.501 -3.829 1.00 0.00 C ATOM 1047 CZ PHE A 65 -2.129 9.044 -4.653 1.00 0.00 C ATOM 0 H PHE A 65 -2.292 2.370 -3.309 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.694 4.408 -4.799 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.478 4.704 -2.585 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.970 4.513 -3.457 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.202 6.257 -5.073 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.839 6.732 -2.821 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.290 8.657 -5.709 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.939 9.123 -3.481 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.177 10.081 -4.950 1.00 0.00 H new ATOM 1057 N VAL A 66 -0.972 3.079 -6.112 1.00 0.00 N ATOM 1058 CA VAL A 66 -0.300 2.866 -7.411 1.00 0.00 C ATOM 1059 C VAL A 66 -1.304 2.369 -8.455 1.00 0.00 C ATOM 1060 O VAL A 66 -1.332 2.870 -9.576 1.00 0.00 O ATOM 1061 CB VAL A 66 0.888 1.889 -7.282 1.00 0.00 C ATOM 1062 CG1 VAL A 66 1.474 1.483 -8.644 1.00 0.00 C ATOM 1063 CG2 VAL A 66 2.005 2.535 -6.453 1.00 0.00 C ATOM 0 H VAL A 66 -0.610 2.489 -5.363 1.00 0.00 H new ATOM 0 HA VAL A 66 0.101 3.824 -7.742 1.00 0.00 H new ATOM 0 HB VAL A 66 0.503 0.993 -6.795 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.306 0.795 -8.492 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.704 0.994 -9.240 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.828 2.371 -9.167 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.841 1.841 -6.365 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.341 3.448 -6.945 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.628 2.776 -5.459 1.00 0.00 H new ATOM 1073 N ASN A 67 -2.200 1.461 -8.067 1.00 0.00 N ATOM 1074 CA ASN A 67 -3.323 1.024 -8.906 1.00 0.00 C ATOM 1075 C ASN A 67 -4.255 2.192 -9.283 1.00 0.00 C ATOM 1076 O ASN A 67 -4.773 2.218 -10.395 1.00 0.00 O ATOM 1077 CB ASN A 67 -4.114 -0.107 -8.222 1.00 0.00 C ATOM 1078 CG ASN A 67 -3.404 -1.461 -8.188 1.00 0.00 C ATOM 1079 OD1 ASN A 67 -2.401 -1.706 -8.849 1.00 0.00 O ATOM 1080 ND2 ASN A 67 -3.929 -2.401 -7.422 1.00 0.00 N ATOM 0 H ASN A 67 -2.169 1.003 -7.156 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.898 0.638 -9.833 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.339 0.194 -7.199 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.068 -0.226 -8.736 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.500 -3.325 -7.383 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.763 -2.202 -6.870 1.00 0.00 H new ATOM 1087 N TYR A 68 -4.460 3.200 -8.423 1.00 0.00 N ATOM 1088 CA TYR A 68 -5.151 4.445 -8.808 1.00 0.00 C ATOM 1089 C TYR A 68 -4.335 5.269 -9.817 1.00 0.00 C ATOM 1090 O TYR A 68 -4.880 5.676 -10.842 1.00 0.00 O ATOM 1091 CB TYR A 68 -5.532 5.258 -7.564 1.00 0.00 C ATOM 1092 CG TYR A 68 -5.878 6.708 -7.847 1.00 0.00 C ATOM 1093 CD1 TYR A 68 -7.136 7.041 -8.386 1.00 0.00 C ATOM 1094 CD2 TYR A 68 -4.928 7.721 -7.604 1.00 0.00 C ATOM 1095 CE1 TYR A 68 -7.449 8.383 -8.674 1.00 0.00 C ATOM 1096 CE2 TYR A 68 -5.232 9.064 -7.896 1.00 0.00 C ATOM 1097 CZ TYR A 68 -6.499 9.401 -8.427 1.00 0.00 C ATOM 1098 OH TYR A 68 -6.818 10.699 -8.688 1.00 0.00 O ATOM 0 H TYR A 68 -4.156 3.179 -7.450 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.074 4.172 -9.319 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -6.384 4.781 -7.080 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.704 5.226 -6.856 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.862 6.265 -8.579 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.963 7.465 -7.192 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.416 8.635 -9.084 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.499 9.836 -7.715 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.057 11.274 -8.463 1.00 0.00 H new ATOM 1108 N LEU A 69 -3.022 5.428 -9.606 1.00 0.00 N ATOM 1109 CA LEU A 69 -2.132 6.124 -10.548 1.00 0.00 C ATOM 1110 C LEU A 69 -2.080 5.452 -11.932 1.00 0.00 C ATOM 1111 O LEU A 69 -1.990 6.148 -12.940 1.00 0.00 O ATOM 1112 CB LEU A 69 -0.727 6.264 -9.946 1.00 0.00 C ATOM 1113 CG LEU A 69 -0.610 7.113 -8.664 1.00 0.00 C ATOM 1114 CD1 LEU A 69 0.826 6.985 -8.137 1.00 0.00 C ATOM 1115 CD2 LEU A 69 -0.973 8.584 -8.923 1.00 0.00 C ATOM 0 H LEU A 69 -2.545 5.077 -8.776 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.550 7.118 -10.710 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.347 5.265 -9.730 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.073 6.697 -10.703 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.317 6.747 -7.920 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.934 7.578 -7.229 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.041 5.939 -7.916 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.524 7.347 -8.892 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.879 9.151 -7.997 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.299 8.999 -9.672 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.999 8.647 -9.284 1.00 0.00 H new ATOM 1127 N VAL A 70 -2.213 4.124 -12.001 1.00 0.00 N ATOM 1128 CA VAL A 70 -2.399 3.376 -13.263 1.00 0.00 C ATOM 1129 C VAL A 70 -3.776 3.653 -13.879 1.00 0.00 C ATOM 1130 O VAL A 70 -3.864 3.930 -15.075 1.00 0.00 O ATOM 1131 CB VAL A 70 -2.186 1.854 -13.079 1.00 0.00 C ATOM 1132 CG1 VAL A 70 -2.506 1.053 -14.354 1.00 0.00 C ATOM 1133 CG2 VAL A 70 -0.739 1.539 -12.678 1.00 0.00 C ATOM 0 H VAL A 70 -2.195 3.525 -11.176 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.634 3.734 -13.951 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.875 1.557 -12.288 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.339 -0.008 -14.168 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.547 1.214 -14.633 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.858 1.386 -15.165 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.621 0.462 -12.556 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.061 1.893 -13.455 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.505 2.038 -11.738 1.00 0.00 H new ATOM 1143 N ARG A 71 -4.842 3.643 -13.065 1.00 0.00 N ATOM 1144 CA ARG A 71 -6.217 3.948 -13.509 1.00 0.00 C ATOM 1145 C ARG A 71 -6.391 5.385 -14.039 1.00 0.00 C ATOM 1146 O ARG A 71 -7.284 5.621 -14.855 1.00 0.00 O ATOM 1147 CB ARG A 71 -7.228 3.651 -12.384 1.00 0.00 C ATOM 1148 CG ARG A 71 -7.504 2.145 -12.225 1.00 0.00 C ATOM 1149 CD ARG A 71 -8.400 1.837 -11.015 1.00 0.00 C ATOM 1150 NE ARG A 71 -7.680 1.996 -9.736 1.00 0.00 N ATOM 1151 CZ ARG A 71 -8.221 2.035 -8.518 1.00 0.00 C ATOM 1152 NH1 ARG A 71 -9.521 1.939 -8.335 1.00 0.00 N ATOM 1153 NH2 ARG A 71 -7.464 2.170 -7.449 1.00 0.00 N ATOM 0 H ARG A 71 -4.777 3.422 -12.071 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.417 3.291 -14.355 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.848 4.049 -11.443 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.164 4.169 -12.594 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.979 1.768 -13.131 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.558 1.615 -12.117 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.266 2.499 -11.028 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.777 0.817 -11.094 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.665 2.085 -9.790 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -10.142 1.832 -9.137 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.907 1.972 -7.391 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.452 2.246 -7.547 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.890 2.198 -6.523 1.00 0.00 H new ATOM 1167 N ILE A 72 -5.521 6.328 -13.653 1.00 0.00 N ATOM 1168 CA ILE A 72 -5.467 7.705 -14.201 1.00 0.00 C ATOM 1169 C ILE A 72 -4.301 7.947 -15.182 1.00 0.00 C ATOM 1170 O ILE A 72 -4.068 9.087 -15.578 1.00 0.00 O ATOM 1171 CB ILE A 72 -5.531 8.774 -13.079 1.00 0.00 C ATOM 1172 CG1 ILE A 72 -4.275 8.795 -12.182 1.00 0.00 C ATOM 1173 CG2 ILE A 72 -6.807 8.587 -12.237 1.00 0.00 C ATOM 1174 CD1 ILE A 72 -4.078 10.122 -11.442 1.00 0.00 C ATOM 0 H ILE A 72 -4.816 6.159 -12.935 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.366 7.814 -14.807 1.00 0.00 H new ATOM 0 HB ILE A 72 -5.563 9.746 -13.572 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -4.345 7.988 -11.453 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.396 8.596 -12.795 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -6.840 9.344 -11.453 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.683 8.689 -12.877 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.802 7.595 -11.784 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.177 10.067 -10.830 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.977 10.931 -12.166 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.940 10.313 -10.803 1.00 0.00 H new ATOM 1186 N ASN A 73 -3.564 6.899 -15.578 1.00 0.00 N ATOM 1187 CA ASN A 73 -2.507 6.920 -16.610 1.00 0.00 C ATOM 1188 C ASN A 73 -1.236 7.718 -16.208 1.00 0.00 C ATOM 1189 O ASN A 73 -0.442 8.115 -17.062 1.00 0.00 O ATOM 1190 CB ASN A 73 -3.119 7.349 -17.965 1.00 0.00 C ATOM 1191 CG ASN A 73 -2.244 7.047 -19.181 1.00 0.00 C ATOM 1192 OD1 ASN A 73 -1.460 6.102 -19.213 1.00 0.00 O ATOM 1193 ND2 ASN A 73 -2.365 7.840 -20.231 1.00 0.00 N ATOM 0 H ASN A 73 -3.691 5.972 -15.173 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.124 5.905 -16.717 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -4.079 6.848 -18.091 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -3.320 8.420 -17.935 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.808 7.667 -21.068 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.016 8.625 -20.205 1.00 0.00 H new ATOM 1200 N GLU A 74 -1.016 7.932 -14.905 1.00 0.00 N ATOM 1201 CA GLU A 74 0.178 8.588 -14.337 1.00 0.00 C ATOM 1202 C GLU A 74 1.289 7.591 -13.931 1.00 0.00 C ATOM 1203 O GLU A 74 2.402 7.998 -13.587 1.00 0.00 O ATOM 1204 CB GLU A 74 -0.232 9.480 -13.153 1.00 0.00 C ATOM 1205 CG GLU A 74 -1.109 10.677 -13.556 1.00 0.00 C ATOM 1206 CD GLU A 74 -0.423 11.618 -14.562 1.00 0.00 C ATOM 1207 OE1 GLU A 74 0.763 11.971 -14.351 1.00 0.00 O ATOM 1208 OE2 GLU A 74 -1.067 12.027 -15.556 1.00 0.00 O ATOM 0 H GLU A 74 -1.684 7.645 -14.190 1.00 0.00 H new ATOM 0 HA GLU A 74 0.612 9.206 -15.123 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.771 8.875 -12.423 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.667 9.849 -12.659 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.039 10.309 -13.989 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -1.375 11.242 -12.662 1.00 0.00 H new ATOM 1215 N VAL A 75 1.008 6.287 -14.016 1.00 0.00 N ATOM 1216 CA VAL A 75 1.961 5.166 -13.900 1.00 0.00 C ATOM 1217 C VAL A 75 1.597 4.129 -14.969 1.00 0.00 C ATOM 1218 O VAL A 75 0.417 3.864 -15.188 1.00 0.00 O ATOM 1219 CB VAL A 75 1.914 4.510 -12.495 1.00 0.00 C ATOM 1220 CG1 VAL A 75 2.853 3.299 -12.393 1.00 0.00 C ATOM 1221 CG2 VAL A 75 2.370 5.451 -11.376 1.00 0.00 C ATOM 0 H VAL A 75 0.055 5.961 -14.177 1.00 0.00 H new ATOM 0 HA VAL A 75 2.974 5.543 -14.044 1.00 0.00 H new ATOM 0 HB VAL A 75 0.867 4.233 -12.374 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.788 2.871 -11.393 1.00 0.00 H new ATOM 0 HG12 VAL A 75 2.561 2.549 -13.128 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.878 3.616 -12.586 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.314 4.932 -10.419 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.398 5.763 -11.560 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.723 6.328 -11.352 1.00 0.00 H new ATOM 1231 N LYS A 76 2.590 3.531 -15.635 1.00 0.00 N ATOM 1232 CA LYS A 76 2.376 2.375 -16.517 1.00 0.00 C ATOM 1233 C LYS A 76 2.482 1.066 -15.729 1.00 0.00 C ATOM 1234 O LYS A 76 3.430 0.852 -14.975 1.00 0.00 O ATOM 1235 CB LYS A 76 3.386 2.391 -17.676 1.00 0.00 C ATOM 1236 CG LYS A 76 3.358 3.681 -18.507 1.00 0.00 C ATOM 1237 CD LYS A 76 2.019 3.924 -19.221 1.00 0.00 C ATOM 1238 CE LYS A 76 2.124 5.166 -20.114 1.00 0.00 C ATOM 1239 NZ LYS A 76 0.852 5.430 -20.834 1.00 0.00 N ATOM 0 H LYS A 76 3.563 3.832 -15.579 1.00 0.00 H new ATOM 0 HA LYS A 76 1.371 2.442 -16.933 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.389 2.252 -17.273 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.185 1.544 -18.332 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.571 4.528 -17.855 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.155 3.642 -19.250 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.754 3.054 -19.822 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.224 4.059 -18.487 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.385 6.032 -19.505 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.930 5.029 -20.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.984 6.225 -21.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.573 4.582 -21.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 0.108 5.668 -20.148 1.00 0.00 H new ATOM 1253 N SER A 77 1.530 0.161 -15.929 1.00 0.00 N ATOM 1254 CA SER A 77 1.431 -1.100 -15.172 1.00 0.00 C ATOM 1255 C SER A 77 2.701 -1.964 -15.271 1.00 0.00 C ATOM 1256 O SER A 77 3.137 -2.539 -14.271 1.00 0.00 O ATOM 1257 CB SER A 77 0.202 -1.891 -15.638 1.00 0.00 C ATOM 1258 OG SER A 77 0.206 -2.059 -17.052 1.00 0.00 O ATOM 0 H SER A 77 0.794 0.275 -16.626 1.00 0.00 H new ATOM 0 HA SER A 77 1.322 -0.836 -14.120 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.189 -2.867 -15.153 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.706 -1.371 -15.333 1.00 0.00 H new ATOM 0 HG SER A 77 -0.587 -2.568 -17.323 1.00 0.00 H new ATOM 1264 N GLU A 78 3.370 -1.961 -16.429 1.00 0.00 N ATOM 1265 CA GLU A 78 4.611 -2.709 -16.676 1.00 0.00 C ATOM 1266 C GLU A 78 5.807 -2.276 -15.799 1.00 0.00 C ATOM 1267 O GLU A 78 6.778 -3.024 -15.676 1.00 0.00 O ATOM 1268 CB GLU A 78 4.952 -2.708 -18.173 1.00 0.00 C ATOM 1269 CG GLU A 78 5.343 -1.318 -18.662 1.00 0.00 C ATOM 1270 CD GLU A 78 5.579 -1.305 -20.179 1.00 0.00 C ATOM 1271 OE1 GLU A 78 6.703 -1.637 -20.627 1.00 0.00 O ATOM 1272 OE2 GLU A 78 4.641 -0.963 -20.937 1.00 0.00 O ATOM 0 H GLU A 78 3.058 -1.427 -17.240 1.00 0.00 H new ATOM 0 HA GLU A 78 4.414 -3.735 -16.365 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.771 -3.403 -18.360 1.00 0.00 H new ATOM 0 HB3 GLU A 78 4.094 -3.066 -18.742 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.557 -0.607 -18.408 1.00 0.00 H new ATOM 0 HG3 GLU A 78 6.247 -0.991 -18.149 1.00 0.00 H new ATOM 1279 N GLU A 79 5.728 -1.108 -15.147 1.00 0.00 N ATOM 1280 CA GLU A 79 6.728 -0.626 -14.187 1.00 0.00 C ATOM 1281 C GLU A 79 6.446 -1.083 -12.742 1.00 0.00 C ATOM 1282 O GLU A 79 7.343 -1.035 -11.902 1.00 0.00 O ATOM 1283 CB GLU A 79 6.772 0.912 -14.215 1.00 0.00 C ATOM 1284 CG GLU A 79 7.230 1.516 -15.550 1.00 0.00 C ATOM 1285 CD GLU A 79 8.702 1.199 -15.857 1.00 0.00 C ATOM 1286 OE1 GLU A 79 9.599 1.794 -15.214 1.00 0.00 O ATOM 1287 OE2 GLU A 79 8.977 0.373 -16.759 1.00 0.00 O ATOM 0 H GLU A 79 4.951 -0.460 -15.275 1.00 0.00 H new ATOM 0 HA GLU A 79 7.683 -1.054 -14.490 1.00 0.00 H new ATOM 0 HB2 GLU A 79 5.779 1.295 -13.980 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.441 1.257 -13.427 1.00 0.00 H new ATOM 0 HG2 GLU A 79 6.602 1.133 -16.354 1.00 0.00 H new ATOM 0 HG3 GLU A 79 7.091 2.597 -15.524 1.00 0.00 H new ATOM 1294 N VAL A 80 5.219 -1.523 -12.437 1.00 0.00 N ATOM 1295 CA VAL A 80 4.751 -1.777 -11.062 1.00 0.00 C ATOM 1296 C VAL A 80 5.299 -3.123 -10.546 1.00 0.00 C ATOM 1297 O VAL A 80 5.058 -4.148 -11.192 1.00 0.00 O ATOM 1298 CB VAL A 80 3.207 -1.747 -10.964 1.00 0.00 C ATOM 1299 CG1 VAL A 80 2.744 -1.927 -9.508 1.00 0.00 C ATOM 1300 CG2 VAL A 80 2.630 -0.421 -11.495 1.00 0.00 C ATOM 0 H VAL A 80 4.511 -1.716 -13.145 1.00 0.00 H new ATOM 0 HA VAL A 80 5.134 -0.974 -10.432 1.00 0.00 H new ATOM 0 HB VAL A 80 2.840 -2.571 -11.576 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.655 -1.902 -9.467 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.100 -2.885 -9.129 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.149 -1.121 -8.895 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.543 -0.437 -11.410 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.027 0.409 -10.910 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.910 -0.295 -12.541 1.00 0.00 H new ATOM 1310 N PRO A 81 6.016 -3.156 -9.402 1.00 0.00 N ATOM 1311 CA PRO A 81 6.621 -4.374 -8.868 1.00 0.00 C ATOM 1312 C PRO A 81 5.603 -5.272 -8.149 1.00 0.00 C ATOM 1313 O PRO A 81 4.544 -4.828 -7.703 1.00 0.00 O ATOM 1314 CB PRO A 81 7.718 -3.893 -7.913 1.00 0.00 C ATOM 1315 CG PRO A 81 7.151 -2.581 -7.381 1.00 0.00 C ATOM 1316 CD PRO A 81 6.425 -2.009 -8.598 1.00 0.00 C ATOM 0 HA PRO A 81 7.019 -4.996 -9.670 1.00 0.00 H new ATOM 0 HB2 PRO A 81 7.900 -4.610 -7.112 1.00 0.00 H new ATOM 0 HB3 PRO A 81 8.667 -3.744 -8.429 1.00 0.00 H new ATOM 0 HG2 PRO A 81 6.472 -2.744 -6.544 1.00 0.00 H new ATOM 0 HG3 PRO A 81 7.937 -1.914 -7.028 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.561 -1.418 -8.294 1.00 0.00 H new ATOM 0 HD3 PRO A 81 7.079 -1.348 -9.167 1.00 0.00 H new ATOM 1324 N ALA A 82 5.971 -6.549 -8.014 1.00 0.00 N ATOM 1325 CA ALA A 82 5.247 -7.592 -7.283 1.00 0.00 C ATOM 1326 C ALA A 82 6.222 -8.686 -6.796 1.00 0.00 C ATOM 1327 O ALA A 82 7.385 -8.710 -7.206 1.00 0.00 O ATOM 1328 CB ALA A 82 4.145 -8.157 -8.198 1.00 0.00 C ATOM 0 H ALA A 82 6.830 -6.902 -8.435 1.00 0.00 H new ATOM 0 HA ALA A 82 4.777 -7.176 -6.392 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.596 -8.936 -7.668 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.460 -7.357 -8.479 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.598 -8.579 -9.095 1.00 0.00 H new ATOM 1334 N VAL A 83 5.752 -9.610 -5.948 1.00 0.00 N ATOM 1335 CA VAL A 83 6.548 -10.695 -5.346 1.00 0.00 C ATOM 1336 C VAL A 83 7.203 -11.657 -6.363 1.00 0.00 C ATOM 1337 O VAL A 83 8.193 -12.315 -6.040 1.00 0.00 O ATOM 1338 CB VAL A 83 5.666 -11.451 -4.324 1.00 0.00 C ATOM 1339 CG1 VAL A 83 4.825 -12.592 -4.924 1.00 0.00 C ATOM 1340 CG2 VAL A 83 6.508 -11.938 -3.149 1.00 0.00 C ATOM 0 H VAL A 83 4.776 -9.626 -5.651 1.00 0.00 H new ATOM 0 HA VAL A 83 7.397 -10.231 -4.844 1.00 0.00 H new ATOM 0 HB VAL A 83 4.935 -10.725 -3.968 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.239 -13.065 -4.136 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.154 -12.189 -5.683 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.485 -13.331 -5.378 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.872 -12.467 -2.440 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.285 -12.611 -3.512 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.970 -11.084 -2.654 1.00 0.00 H new ATOM 1350 N GLY A 84 6.679 -11.712 -7.594 1.00 0.00 N ATOM 1351 CA GLY A 84 7.252 -12.437 -8.732 1.00 0.00 C ATOM 1352 C GLY A 84 6.497 -12.141 -10.027 1.00 0.00 C ATOM 1353 O GLY A 84 5.265 -12.158 -10.043 1.00 0.00 O ATOM 0 H GLY A 84 5.810 -11.234 -7.832 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.300 -12.160 -8.850 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.226 -13.508 -8.532 1.00 0.00 H new ATOM 1357 N ILE A 85 7.226 -11.867 -11.114 1.00 0.00 N ATOM 1358 CA ILE A 85 6.672 -11.533 -12.441 1.00 0.00 C ATOM 1359 C ILE A 85 7.367 -12.398 -13.505 1.00 0.00 C ATOM 1360 O ILE A 85 8.545 -12.191 -13.800 1.00 0.00 O ATOM 1361 CB ILE A 85 6.803 -10.011 -12.735 1.00 0.00 C ATOM 1362 CG1 ILE A 85 6.174 -9.153 -11.607 1.00 0.00 C ATOM 1363 CG2 ILE A 85 6.146 -9.691 -14.095 1.00 0.00 C ATOM 1364 CD1 ILE A 85 6.254 -7.635 -11.822 1.00 0.00 C ATOM 0 H ILE A 85 8.246 -11.870 -11.100 1.00 0.00 H new ATOM 0 HA ILE A 85 5.605 -11.755 -12.462 1.00 0.00 H new ATOM 0 HB ILE A 85 7.863 -9.759 -12.776 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.126 -9.434 -11.499 1.00 0.00 H new ATOM 0 HG13 ILE A 85 6.668 -9.398 -10.667 1.00 0.00 H new ATOM 0 HG21 ILE A 85 6.238 -8.625 -14.301 1.00 0.00 H new ATOM 0 HG22 ILE A 85 6.644 -10.257 -14.882 1.00 0.00 H new ATOM 0 HG23 ILE A 85 5.092 -9.965 -14.063 1.00 0.00 H new ATOM 0 HD11 ILE A 85 5.788 -7.123 -10.980 1.00 0.00 H new ATOM 0 HD12 ILE A 85 7.299 -7.333 -11.897 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.733 -7.370 -12.742 1.00 0.00 H new ATOM 1376 N VAL A 86 6.641 -13.363 -14.077 1.00 0.00 N ATOM 1377 CA VAL A 86 7.099 -14.331 -15.088 1.00 0.00 C ATOM 1378 C VAL A 86 5.918 -14.774 -15.973 1.00 0.00 C ATOM 1379 O VAL A 86 4.788 -14.821 -15.474 1.00 0.00 O ATOM 1380 CB VAL A 86 7.740 -15.589 -14.449 1.00 0.00 C ATOM 1381 CG1 VAL A 86 9.176 -15.346 -13.962 1.00 0.00 C ATOM 1382 CG2 VAL A 86 6.912 -16.211 -13.309 1.00 0.00 C ATOM 0 H VAL A 86 5.660 -13.501 -13.835 1.00 0.00 H new ATOM 0 HA VAL A 86 7.857 -13.826 -15.687 1.00 0.00 H new ATOM 0 HB VAL A 86 7.760 -16.308 -15.268 1.00 0.00 H new ATOM 0 HG11 VAL A 86 9.572 -16.262 -13.524 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.800 -15.047 -14.804 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.177 -14.556 -13.211 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.431 -17.086 -12.918 1.00 0.00 H new ATOM 0 HG22 VAL A 86 6.783 -15.479 -12.512 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.935 -16.509 -13.690 1.00 0.00 H new ATOM 1392 N PRO A 87 6.140 -15.111 -17.260 1.00 0.00 N ATOM 1393 CA PRO A 87 5.092 -15.614 -18.143 1.00 0.00 C ATOM 1394 C PRO A 87 4.711 -17.058 -17.753 1.00 0.00 C ATOM 1395 O PRO A 87 5.607 -17.892 -17.585 1.00 0.00 O ATOM 1396 CB PRO A 87 5.680 -15.533 -19.557 1.00 0.00 C ATOM 1397 CG PRO A 87 7.186 -15.679 -19.334 1.00 0.00 C ATOM 1398 CD PRO A 87 7.406 -15.003 -17.980 1.00 0.00 C ATOM 0 HA PRO A 87 4.172 -15.034 -18.074 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.292 -16.325 -20.198 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.437 -14.586 -20.038 1.00 0.00 H new ATOM 0 HG2 PRO A 87 7.491 -16.725 -19.316 1.00 0.00 H new ATOM 0 HG3 PRO A 87 7.759 -15.194 -20.124 1.00 0.00 H new ATOM 0 HD2 PRO A 87 8.210 -15.489 -17.428 1.00 0.00 H new ATOM 0 HD3 PRO A 87 7.693 -13.959 -18.108 1.00 0.00 H new ATOM 1406 N PRO A 88 3.410 -17.384 -17.604 1.00 0.00 N ATOM 1407 CA PRO A 88 2.964 -18.724 -17.239 1.00 0.00 C ATOM 1408 C PRO A 88 3.060 -19.684 -18.445 1.00 0.00 C ATOM 1409 O PRO A 88 2.723 -19.283 -19.564 1.00 0.00 O ATOM 1410 CB PRO A 88 1.519 -18.552 -16.761 1.00 0.00 C ATOM 1411 CG PRO A 88 1.020 -17.349 -17.560 1.00 0.00 C ATOM 1412 CD PRO A 88 2.270 -16.479 -17.697 1.00 0.00 C ATOM 0 HA PRO A 88 3.586 -19.167 -16.461 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.922 -19.442 -16.960 1.00 0.00 H new ATOM 0 HB3 PRO A 88 1.470 -18.369 -15.688 1.00 0.00 H new ATOM 0 HG2 PRO A 88 0.627 -17.646 -18.532 1.00 0.00 H new ATOM 0 HG3 PRO A 88 0.219 -16.824 -17.040 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.272 -15.948 -18.649 1.00 0.00 H new ATOM 0 HD3 PRO A 88 2.307 -15.725 -16.911 1.00 0.00 H new ATOM 1420 N PRO A 89 3.490 -20.948 -18.246 1.00 0.00 N ATOM 1421 CA PRO A 89 3.598 -21.936 -19.320 1.00 0.00 C ATOM 1422 C PRO A 89 2.241 -22.541 -19.721 1.00 0.00 C ATOM 1423 O PRO A 89 2.106 -23.049 -20.832 1.00 0.00 O ATOM 1424 CB PRO A 89 4.545 -23.008 -18.771 1.00 0.00 C ATOM 1425 CG PRO A 89 4.259 -22.988 -17.269 1.00 0.00 C ATOM 1426 CD PRO A 89 3.983 -21.509 -16.995 1.00 0.00 C ATOM 0 HA PRO A 89 3.970 -21.476 -20.236 1.00 0.00 H new ATOM 0 HB2 PRO A 89 4.342 -23.986 -19.207 1.00 0.00 H new ATOM 0 HB3 PRO A 89 5.587 -22.773 -18.986 1.00 0.00 H new ATOM 0 HG2 PRO A 89 3.404 -23.613 -17.012 1.00 0.00 H new ATOM 0 HG3 PRO A 89 5.107 -23.355 -16.691 1.00 0.00 H new ATOM 0 HD2 PRO A 89 3.247 -21.391 -16.199 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.889 -20.998 -16.670 1.00 0.00 H new ATOM 1434 N SER A 90 1.232 -22.473 -18.845 1.00 0.00 N ATOM 1435 CA SER A 90 -0.127 -23.008 -19.028 1.00 0.00 C ATOM 1436 C SER A 90 -1.057 -22.521 -17.896 1.00 0.00 C ATOM 1437 O SER A 90 -0.587 -22.075 -16.841 1.00 0.00 O ATOM 1438 CB SER A 90 -0.097 -24.548 -19.076 1.00 0.00 C ATOM 1439 OG SER A 90 -1.349 -25.078 -19.500 1.00 0.00 O ATOM 0 H SER A 90 1.345 -22.019 -17.939 1.00 0.00 H new ATOM 0 HA SER A 90 -0.518 -22.640 -19.977 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.689 -24.877 -19.756 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.151 -24.940 -18.089 1.00 0.00 H new ATOM 0 HG SER A 90 -1.299 -26.056 -19.522 1.00 0.00 H new ATOM 1445 N GLY A 91 -2.378 -22.608 -18.097 1.00 0.00 N ATOM 1446 CA GLY A 91 -3.402 -22.272 -17.098 1.00 0.00 C ATOM 1447 C GLY A 91 -4.843 -22.458 -17.605 1.00 0.00 C ATOM 1448 O GLY A 91 -5.058 -22.443 -18.823 1.00 0.00 O ATOM 0 H GLY A 91 -2.775 -22.922 -18.982 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.254 -22.893 -16.215 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.267 -21.237 -16.786 1.00 0.00 H new ATOM 1452 N PRO A 92 -5.830 -22.625 -16.701 1.00 0.00 N ATOM 1453 CA PRO A 92 -7.234 -22.821 -17.057 1.00 0.00 C ATOM 1454 C PRO A 92 -7.888 -21.504 -17.498 1.00 0.00 C ATOM 1455 O PRO A 92 -7.617 -20.440 -16.941 1.00 0.00 O ATOM 1456 CB PRO A 92 -7.892 -23.387 -15.795 1.00 0.00 C ATOM 1457 CG PRO A 92 -7.071 -22.772 -14.663 1.00 0.00 C ATOM 1458 CD PRO A 92 -5.662 -22.709 -15.254 1.00 0.00 C ATOM 0 HA PRO A 92 -7.348 -23.497 -17.904 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -8.943 -23.105 -15.729 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -7.852 -24.476 -15.775 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.438 -21.783 -14.389 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.104 -23.385 -13.762 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.119 -21.843 -14.874 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -5.085 -23.592 -14.980 1.00 0.00 H new ATOM 1466 N SER A 93 -8.777 -21.580 -18.492 1.00 0.00 N ATOM 1467 CA SER A 93 -9.442 -20.409 -19.100 1.00 0.00 C ATOM 1468 C SER A 93 -10.878 -20.678 -19.606 1.00 0.00 C ATOM 1469 O SER A 93 -11.518 -19.790 -20.174 1.00 0.00 O ATOM 1470 CB SER A 93 -8.556 -19.852 -20.231 1.00 0.00 C ATOM 1471 OG SER A 93 -8.349 -20.809 -21.268 1.00 0.00 O ATOM 0 H SER A 93 -9.064 -22.466 -18.908 1.00 0.00 H new ATOM 0 HA SER A 93 -9.560 -19.671 -18.307 1.00 0.00 H new ATOM 0 HB2 SER A 93 -9.021 -18.959 -20.649 1.00 0.00 H new ATOM 0 HB3 SER A 93 -7.593 -19.548 -19.821 1.00 0.00 H new ATOM 0 HG SER A 93 -7.784 -20.417 -21.967 1.00 0.00 H new ATOM 1477 N SER A 94 -11.415 -21.885 -19.393 1.00 0.00 N ATOM 1478 CA SER A 94 -12.737 -22.368 -19.836 1.00 0.00 C ATOM 1479 C SER A 94 -13.069 -23.725 -19.178 1.00 0.00 C ATOM 1480 O SER A 94 -12.167 -24.443 -18.727 1.00 0.00 O ATOM 1481 CB SER A 94 -12.786 -22.522 -21.371 1.00 0.00 C ATOM 1482 OG SER A 94 -12.949 -21.274 -22.031 1.00 0.00 O ATOM 0 H SER A 94 -10.908 -22.601 -18.873 1.00 0.00 H new ATOM 0 HA SER A 94 -13.476 -21.627 -19.531 1.00 0.00 H new ATOM 0 HB2 SER A 94 -11.867 -22.996 -21.716 1.00 0.00 H new ATOM 0 HB3 SER A 94 -13.608 -23.184 -21.642 1.00 0.00 H new ATOM 0 HG SER A 94 -12.597 -20.556 -21.465 1.00 0.00 H new ATOM 1488 N GLY A 95 -14.359 -24.086 -19.125 1.00 0.00 N ATOM 1489 CA GLY A 95 -14.856 -25.347 -18.549 1.00 0.00 C ATOM 1490 C GLY A 95 -16.370 -25.506 -18.686 1.00 0.00 C ATOM 1491 O GLY A 95 -16.813 -26.152 -19.661 1.00 0.00 O ATOM 1492 OXT GLY A 95 -17.103 -24.974 -17.823 1.00 0.00 O ATOM 0 H GLY A 95 -15.106 -23.495 -19.490 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -14.362 -26.185 -19.040 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -14.585 -25.391 -17.494 1.00 0.00 H new TER 1496 GLY A 95