USER MOD reduce.3.24.130724 H: found=0, std=0, add=735, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 732 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 26 MET CE :methyl -151:sc= -1.08 (180deg=0) USER MOD Set 1.2: A 46 TYR OH : rot 63:sc= 0.231 USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0905 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 63:sc= 0.143 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 168:sc= -0.0144 (180deg=-0.157) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 19 CYS SG : rot 33:sc= 0.0242 USER MOD Single : A 20 GLN : amide:sc= -0.116 K(o=-0.12,f=-4.8!) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 64:sc= -0.0519 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0.329 K(o=0.33,f=-0.27) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.466 -5.335 25.825 1.00 0.00 N ATOM 2 CA GLY A 1 22.313 -4.033 25.203 1.00 0.00 C ATOM 3 C GLY A 1 23.612 -3.510 24.623 1.00 0.00 C ATOM 4 O GLY A 1 24.636 -4.191 24.665 1.00 0.00 O ATOM 0 H1 GLY A 1 21.872 -6.029 25.328 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.462 -5.630 25.772 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.174 -5.280 26.822 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.566 -4.097 24.412 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.937 -3.324 25.940 1.00 0.00 H new ATOM 8 N SER A 2 23.570 -2.299 24.077 1.00 0.00 N ATOM 9 CA SER A 2 24.751 -1.688 23.480 1.00 0.00 C ATOM 10 C SER A 2 25.124 -0.400 24.209 1.00 0.00 C ATOM 11 O SER A 2 24.279 0.467 24.432 1.00 0.00 O ATOM 12 CB SER A 2 24.507 -1.396 21.999 1.00 0.00 C ATOM 13 OG SER A 2 25.574 -0.646 21.444 1.00 0.00 O ATOM 0 H SER A 2 22.730 -1.722 24.036 1.00 0.00 H new ATOM 0 HA SER A 2 25.579 -2.391 23.573 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.395 -2.333 21.454 1.00 0.00 H new ATOM 0 HB3 SER A 2 23.573 -0.846 21.883 1.00 0.00 H new ATOM 0 HG SER A 2 25.395 -0.474 20.496 1.00 0.00 H new ATOM 19 N SER A 3 26.395 -0.283 24.578 1.00 0.00 N ATOM 20 CA SER A 3 26.881 0.896 25.286 1.00 0.00 C ATOM 21 C SER A 3 28.056 1.528 24.546 1.00 0.00 C ATOM 22 O SER A 3 29.216 1.251 24.849 1.00 0.00 O ATOM 23 CB SER A 3 27.299 0.526 26.710 1.00 0.00 C ATOM 24 OG SER A 3 27.957 1.608 27.346 1.00 0.00 O ATOM 0 H SER A 3 27.108 -0.990 24.399 1.00 0.00 H new ATOM 0 HA SER A 3 26.070 1.622 25.331 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.420 0.241 27.288 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.959 -0.341 26.685 1.00 0.00 H new ATOM 0 HG SER A 3 28.213 1.347 28.255 1.00 0.00 H new ATOM 30 N GLY A 4 27.746 2.379 23.573 1.00 0.00 N ATOM 31 CA GLY A 4 28.786 3.037 22.804 1.00 0.00 C ATOM 32 C GLY A 4 28.284 4.277 22.091 1.00 0.00 C ATOM 33 O GLY A 4 28.265 4.329 20.861 1.00 0.00 O ATOM 0 H GLY A 4 26.793 2.625 23.304 1.00 0.00 H new ATOM 0 HA2 GLY A 4 29.606 3.310 23.468 1.00 0.00 H new ATOM 0 HA3 GLY A 4 29.189 2.338 22.071 1.00 0.00 H new ATOM 37 N SER A 5 27.874 5.277 22.864 1.00 0.00 N ATOM 38 CA SER A 5 27.363 6.521 22.299 1.00 0.00 C ATOM 39 C SER A 5 27.187 7.579 23.384 1.00 0.00 C ATOM 40 O SER A 5 26.083 8.076 23.608 1.00 0.00 O ATOM 41 CB SER A 5 26.030 6.274 21.590 1.00 0.00 C ATOM 42 OG SER A 5 25.088 5.682 22.468 1.00 0.00 O ATOM 0 H SER A 5 27.886 5.250 23.884 1.00 0.00 H new ATOM 0 HA SER A 5 28.090 6.887 21.574 1.00 0.00 H new ATOM 0 HB2 SER A 5 25.636 7.217 21.211 1.00 0.00 H new ATOM 0 HB3 SER A 5 26.187 5.625 20.729 1.00 0.00 H new ATOM 0 HG SER A 5 24.901 6.295 23.209 1.00 0.00 H new ATOM 48 N SER A 6 28.283 7.917 24.056 1.00 0.00 N ATOM 49 CA SER A 6 28.250 8.913 25.120 1.00 0.00 C ATOM 50 C SER A 6 28.854 10.232 24.649 1.00 0.00 C ATOM 51 O SER A 6 29.427 10.313 23.563 1.00 0.00 O ATOM 52 CB SER A 6 29.006 8.402 26.349 1.00 0.00 C ATOM 53 OG SER A 6 28.125 8.196 27.440 1.00 0.00 O ATOM 0 H SER A 6 29.204 7.516 23.882 1.00 0.00 H new ATOM 0 HA SER A 6 27.208 9.087 25.389 1.00 0.00 H new ATOM 0 HB2 SER A 6 29.513 7.468 26.106 1.00 0.00 H new ATOM 0 HB3 SER A 6 29.777 9.120 26.630 1.00 0.00 H new ATOM 0 HG SER A 6 28.632 7.868 28.212 1.00 0.00 H new ATOM 59 N GLY A 7 28.722 11.265 25.476 1.00 0.00 N ATOM 60 CA GLY A 7 29.260 12.568 25.127 1.00 0.00 C ATOM 61 C GLY A 7 28.217 13.478 24.509 1.00 0.00 C ATOM 62 O GLY A 7 27.359 13.026 23.752 1.00 0.00 O ATOM 0 H GLY A 7 28.253 11.223 26.381 1.00 0.00 H new ATOM 0 HA2 GLY A 7 29.667 13.041 26.021 1.00 0.00 H new ATOM 0 HA3 GLY A 7 30.087 12.441 24.429 1.00 0.00 H new ATOM 66 N ASN A 8 28.291 14.765 24.833 1.00 0.00 N ATOM 67 CA ASN A 8 27.345 15.741 24.306 1.00 0.00 C ATOM 68 C ASN A 8 25.925 15.426 24.766 1.00 0.00 C ATOM 69 O ASN A 8 25.650 14.332 25.258 1.00 0.00 O ATOM 70 CB ASN A 8 27.404 15.766 22.777 1.00 0.00 C ATOM 71 CG ASN A 8 28.205 16.940 22.248 1.00 0.00 C ATOM 72 OD1 ASN A 8 29.169 16.763 21.503 1.00 0.00 O ATOM 73 ND2 ASN A 8 27.809 18.148 22.633 1.00 0.00 N ATOM 0 H ASN A 8 28.996 15.156 25.458 1.00 0.00 H new ATOM 0 HA ASN A 8 27.623 16.723 24.690 1.00 0.00 H new ATOM 0 HB2 ASN A 8 27.846 14.837 22.418 1.00 0.00 H new ATOM 0 HB3 ASN A 8 26.391 15.812 22.378 1.00 0.00 H new ATOM 0 HD21 ASN A 8 28.310 18.976 22.310 1.00 0.00 H new ATOM 0 HD22 ASN A 8 27.004 18.248 23.252 1.00 0.00 H new ATOM 80 N ILE A 9 25.027 16.392 24.601 1.00 0.00 N ATOM 81 CA ILE A 9 23.636 16.217 24.997 1.00 0.00 C ATOM 82 C ILE A 9 22.737 17.247 24.321 1.00 0.00 C ATOM 83 O ILE A 9 23.107 18.413 24.185 1.00 0.00 O ATOM 84 CB ILE A 9 23.467 16.329 26.524 1.00 0.00 C ATOM 85 CG1 ILE A 9 22.008 16.088 26.917 1.00 0.00 C ATOM 86 CG2 ILE A 9 23.934 17.693 27.010 1.00 0.00 C ATOM 87 CD1 ILE A 9 21.202 17.360 27.057 1.00 0.00 C ATOM 0 H ILE A 9 25.239 17.304 24.196 1.00 0.00 H new ATOM 0 HA ILE A 9 23.342 15.217 24.679 1.00 0.00 H new ATOM 0 HB ILE A 9 24.082 15.565 27.000 1.00 0.00 H new ATOM 0 HG12 ILE A 9 21.539 15.451 26.167 1.00 0.00 H new ATOM 0 HG13 ILE A 9 21.980 15.544 27.861 1.00 0.00 H new ATOM 0 HG21 ILE A 9 23.808 17.757 28.091 1.00 0.00 H new ATOM 0 HG22 ILE A 9 24.986 17.828 26.758 1.00 0.00 H new ATOM 0 HG23 ILE A 9 23.343 18.472 26.529 1.00 0.00 H new ATOM 0 HD11 ILE A 9 20.178 17.113 27.337 1.00 0.00 H new ATOM 0 HD12 ILE A 9 21.647 17.990 27.827 1.00 0.00 H new ATOM 0 HD13 ILE A 9 21.199 17.895 26.108 1.00 0.00 H new ATOM 99 N MET A 10 21.556 16.808 23.900 1.00 0.00 N ATOM 100 CA MET A 10 20.603 17.694 23.241 1.00 0.00 C ATOM 101 C MET A 10 21.163 18.206 21.918 1.00 0.00 C ATOM 102 O MET A 10 22.378 18.301 21.741 1.00 0.00 O ATOM 103 CB MET A 10 20.255 18.873 24.151 1.00 0.00 C ATOM 104 CG MET A 10 19.143 19.755 23.606 1.00 0.00 C ATOM 105 SD MET A 10 17.577 18.876 23.443 1.00 0.00 S ATOM 106 CE MET A 10 16.420 20.244 23.443 1.00 0.00 C ATOM 0 H MET A 10 21.236 15.845 24.003 1.00 0.00 H new ATOM 0 HA MET A 10 19.697 17.124 23.036 1.00 0.00 H new ATOM 0 HB2 MET A 10 19.959 18.492 25.128 1.00 0.00 H new ATOM 0 HB3 MET A 10 21.148 19.480 24.303 1.00 0.00 H new ATOM 0 HG2 MET A 10 19.007 20.612 24.266 1.00 0.00 H new ATOM 0 HG3 MET A 10 19.439 20.146 22.633 1.00 0.00 H new ATOM 0 HE1 MET A 10 15.404 19.861 23.348 1.00 0.00 H new ATOM 0 HE2 MET A 10 16.513 20.799 24.376 1.00 0.00 H new ATOM 0 HE3 MET A 10 16.638 20.905 22.604 1.00 0.00 H new ATOM 116 N LEU A 11 20.270 18.534 20.990 1.00 0.00 N ATOM 117 CA LEU A 11 20.675 19.037 19.682 1.00 0.00 C ATOM 118 C LEU A 11 21.078 20.506 19.764 1.00 0.00 C ATOM 119 O LEU A 11 20.585 21.250 20.613 1.00 0.00 O ATOM 120 CB LEU A 11 19.539 18.864 18.673 1.00 0.00 C ATOM 121 CG LEU A 11 18.246 19.620 18.982 1.00 0.00 C ATOM 122 CD1 LEU A 11 18.160 20.891 18.152 1.00 0.00 C ATOM 123 CD2 LEU A 11 17.036 18.732 18.728 1.00 0.00 C ATOM 0 H LEU A 11 19.261 18.461 21.119 1.00 0.00 H new ATOM 0 HA LEU A 11 21.538 18.460 19.350 1.00 0.00 H new ATOM 0 HB2 LEU A 11 19.898 19.183 17.694 1.00 0.00 H new ATOM 0 HB3 LEU A 11 19.306 17.802 18.597 1.00 0.00 H new ATOM 0 HG LEU A 11 18.253 19.898 20.036 1.00 0.00 H new ATOM 0 HD11 LEU A 11 17.234 21.416 18.385 1.00 0.00 H new ATOM 0 HD12 LEU A 11 19.009 21.534 18.382 1.00 0.00 H new ATOM 0 HD13 LEU A 11 18.175 20.635 17.093 1.00 0.00 H new ATOM 0 HD21 LEU A 11 16.125 19.286 18.953 1.00 0.00 H new ATOM 0 HD22 LEU A 11 17.024 18.423 17.683 1.00 0.00 H new ATOM 0 HD23 LEU A 11 17.091 17.850 19.366 1.00 0.00 H new ATOM 135 N LEU A 12 21.976 20.918 18.876 1.00 0.00 N ATOM 136 CA LEU A 12 22.444 22.300 18.846 1.00 0.00 C ATOM 137 C LEU A 12 21.540 23.162 17.971 1.00 0.00 C ATOM 138 O LEU A 12 21.329 22.865 16.794 1.00 0.00 O ATOM 139 CB LEU A 12 23.882 22.360 18.328 1.00 0.00 C ATOM 140 CG LEU A 12 24.980 22.335 19.393 1.00 0.00 C ATOM 141 CD1 LEU A 12 24.931 23.597 20.240 1.00 0.00 C ATOM 142 CD2 LEU A 12 24.846 21.097 20.268 1.00 0.00 C ATOM 0 H LEU A 12 22.395 20.315 18.167 1.00 0.00 H new ATOM 0 HA LEU A 12 22.414 22.691 19.863 1.00 0.00 H new ATOM 0 HB2 LEU A 12 24.039 21.519 17.653 1.00 0.00 H new ATOM 0 HB3 LEU A 12 23.997 23.269 17.737 1.00 0.00 H new ATOM 0 HG LEU A 12 25.946 22.297 18.890 1.00 0.00 H new ATOM 0 HD11 LEU A 12 25.719 23.561 20.992 1.00 0.00 H new ATOM 0 HD12 LEU A 12 25.077 24.469 19.602 1.00 0.00 H new ATOM 0 HD13 LEU A 12 23.962 23.667 20.734 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.635 21.096 21.020 1.00 0.00 H new ATOM 0 HD22 LEU A 12 23.874 21.104 20.762 1.00 0.00 H new ATOM 0 HD23 LEU A 12 24.932 20.203 19.650 1.00 0.00 H new ATOM 154 N LYS A 13 21.009 24.233 18.552 1.00 0.00 N ATOM 155 CA LYS A 13 20.130 25.141 17.825 1.00 0.00 C ATOM 156 C LYS A 13 20.797 25.636 16.546 1.00 0.00 C ATOM 157 O LYS A 13 20.312 25.382 15.443 1.00 0.00 O ATOM 158 CB LYS A 13 19.752 26.332 18.709 1.00 0.00 C ATOM 159 CG LYS A 13 18.275 26.381 19.063 1.00 0.00 C ATOM 160 CD LYS A 13 18.024 25.880 20.475 1.00 0.00 C ATOM 161 CE LYS A 13 16.542 25.647 20.729 1.00 0.00 C ATOM 162 NZ LYS A 13 16.236 25.559 22.183 1.00 0.00 N ATOM 0 H LYS A 13 21.172 24.493 19.525 1.00 0.00 H new ATOM 0 HA LYS A 13 19.227 24.594 17.555 1.00 0.00 H new ATOM 0 HB2 LYS A 13 20.336 26.292 19.628 1.00 0.00 H new ATOM 0 HB3 LYS A 13 20.026 27.255 18.198 1.00 0.00 H new ATOM 0 HG2 LYS A 13 17.911 27.404 18.969 1.00 0.00 H new ATOM 0 HG3 LYS A 13 17.710 25.775 18.355 1.00 0.00 H new ATOM 0 HD2 LYS A 13 18.572 24.952 20.636 1.00 0.00 H new ATOM 0 HD3 LYS A 13 18.408 26.605 21.193 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.965 26.459 20.285 1.00 0.00 H new ATOM 0 HE3 LYS A 13 16.229 24.727 20.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.217 25.400 22.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 16.766 24.769 22.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 16.511 26.447 22.650 1.00 0.00 H new ATOM 176 N LYS A 14 21.912 26.342 16.700 1.00 0.00 N ATOM 177 CA LYS A 14 22.648 26.870 15.557 1.00 0.00 C ATOM 178 C LYS A 14 23.969 27.490 16.000 1.00 0.00 C ATOM 179 O LYS A 14 24.987 27.361 15.319 1.00 0.00 O ATOM 180 CB LYS A 14 21.805 27.913 14.819 1.00 0.00 C ATOM 181 CG LYS A 14 21.908 27.819 13.307 1.00 0.00 C ATOM 182 CD LYS A 14 23.009 28.716 12.766 1.00 0.00 C ATOM 183 CE LYS A 14 23.105 28.628 11.251 1.00 0.00 C ATOM 184 NZ LYS A 14 21.883 29.159 10.586 1.00 0.00 N ATOM 0 H LYS A 14 22.326 26.562 17.606 1.00 0.00 H new ATOM 0 HA LYS A 14 22.864 26.042 14.882 1.00 0.00 H new ATOM 0 HB2 LYS A 14 20.761 27.797 15.112 1.00 0.00 H new ATOM 0 HB3 LYS A 14 22.116 28.909 15.135 1.00 0.00 H new ATOM 0 HG2 LYS A 14 22.104 26.786 13.018 1.00 0.00 H new ATOM 0 HG3 LYS A 14 20.955 28.100 12.858 1.00 0.00 H new ATOM 0 HD2 LYS A 14 22.817 29.748 13.060 1.00 0.00 H new ATOM 0 HD3 LYS A 14 23.963 28.431 13.209 1.00 0.00 H new ATOM 0 HE2 LYS A 14 23.976 29.187 10.909 1.00 0.00 H new ATOM 0 HE3 LYS A 14 23.257 27.590 10.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 22.063 29.272 9.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 21.095 28.495 10.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 21.637 30.082 10.998 1.00 0.00 H new ATOM 198 N LYS A 15 23.947 28.163 17.145 1.00 0.00 N ATOM 199 CA LYS A 15 25.143 28.802 17.681 1.00 0.00 C ATOM 200 C LYS A 15 25.266 28.553 19.181 1.00 0.00 C ATOM 201 O LYS A 15 24.305 28.729 19.929 1.00 0.00 O ATOM 202 CB LYS A 15 25.111 30.307 17.404 1.00 0.00 C ATOM 203 CG LYS A 15 25.856 30.708 16.143 1.00 0.00 C ATOM 204 CD LYS A 15 27.335 30.928 16.415 1.00 0.00 C ATOM 205 CE LYS A 15 28.202 30.039 15.538 1.00 0.00 C ATOM 206 NZ LYS A 15 28.627 30.734 14.291 1.00 0.00 N ATOM 0 H LYS A 15 23.113 28.280 17.720 1.00 0.00 H new ATOM 0 HA LYS A 15 26.011 28.366 17.185 1.00 0.00 H new ATOM 0 HB2 LYS A 15 24.074 30.631 17.322 1.00 0.00 H new ATOM 0 HB3 LYS A 15 25.543 30.834 18.255 1.00 0.00 H new ATOM 0 HG2 LYS A 15 25.736 29.933 15.386 1.00 0.00 H new ATOM 0 HG3 LYS A 15 25.420 31.621 15.737 1.00 0.00 H new ATOM 0 HD2 LYS A 15 27.587 31.973 16.237 1.00 0.00 H new ATOM 0 HD3 LYS A 15 27.547 30.723 17.464 1.00 0.00 H new ATOM 0 HE2 LYS A 15 29.083 29.726 16.098 1.00 0.00 H new ATOM 0 HE3 LYS A 15 27.651 29.135 15.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 29.216 30.094 13.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 27.787 31.011 13.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 29.175 31.583 14.536 1.00 0.00 H new ATOM 220 N GLN A 16 26.455 28.146 19.613 1.00 0.00 N ATOM 221 CA GLN A 16 26.703 27.874 21.024 1.00 0.00 C ATOM 222 C GLN A 16 26.355 29.087 21.881 1.00 0.00 C ATOM 223 O GLN A 16 26.703 30.218 21.544 1.00 0.00 O ATOM 224 CB GLN A 16 28.166 27.485 21.241 1.00 0.00 C ATOM 225 CG GLN A 16 28.374 26.517 22.395 1.00 0.00 C ATOM 226 CD GLN A 16 29.587 25.629 22.201 1.00 0.00 C ATOM 227 OE1 GLN A 16 29.632 24.813 21.281 1.00 0.00 O ATOM 228 NE2 GLN A 16 30.579 25.785 23.070 1.00 0.00 N ATOM 0 H GLN A 16 27.262 27.997 19.007 1.00 0.00 H new ATOM 0 HA GLN A 16 26.065 27.043 21.325 1.00 0.00 H new ATOM 0 HB2 GLN A 16 28.553 27.036 20.327 1.00 0.00 H new ATOM 0 HB3 GLN A 16 28.750 28.387 21.425 1.00 0.00 H new ATOM 0 HG2 GLN A 16 28.486 27.081 23.321 1.00 0.00 H new ATOM 0 HG3 GLN A 16 27.487 25.894 22.506 1.00 0.00 H new ATOM 0 HE21 GLN A 16 30.498 26.474 23.818 1.00 0.00 H new ATOM 0 HE22 GLN A 16 31.421 25.216 22.990 1.00 0.00 H new ATOM 237 N ALA A 17 25.665 28.843 22.991 1.00 0.00 N ATOM 238 CA ALA A 17 25.271 29.915 23.896 1.00 0.00 C ATOM 239 C ALA A 17 25.925 29.747 25.264 1.00 0.00 C ATOM 240 O ALA A 17 25.539 28.876 26.044 1.00 0.00 O ATOM 241 CB ALA A 17 23.757 29.959 24.035 1.00 0.00 C ATOM 0 H ALA A 17 25.368 27.912 23.284 1.00 0.00 H new ATOM 0 HA ALA A 17 25.613 30.859 23.472 1.00 0.00 H new ATOM 0 HB1 ALA A 17 23.477 30.765 24.714 1.00 0.00 H new ATOM 0 HB2 ALA A 17 23.307 30.135 23.058 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.400 29.009 24.433 1.00 0.00 H new ATOM 247 N ARG A 18 26.918 30.584 25.547 1.00 0.00 N ATOM 248 CA ARG A 18 27.627 30.525 26.820 1.00 0.00 C ATOM 249 C ARG A 18 28.405 31.814 27.068 1.00 0.00 C ATOM 250 O ARG A 18 28.744 32.537 26.130 1.00 0.00 O ATOM 251 CB ARG A 18 28.580 29.329 26.843 1.00 0.00 C ATOM 252 CG ARG A 18 29.674 29.402 25.791 1.00 0.00 C ATOM 253 CD ARG A 18 31.054 29.246 26.410 1.00 0.00 C ATOM 254 NE ARG A 18 32.103 29.792 25.554 1.00 0.00 N ATOM 255 CZ ARG A 18 33.401 29.609 25.774 1.00 0.00 C ATOM 256 NH1 ARG A 18 33.806 28.898 26.817 1.00 0.00 N ATOM 257 NH2 ARG A 18 34.296 30.138 24.950 1.00 0.00 N ATOM 0 H ARG A 18 27.250 31.311 24.912 1.00 0.00 H new ATOM 0 HA ARG A 18 26.889 30.407 27.613 1.00 0.00 H new ATOM 0 HB2 ARG A 18 29.040 29.260 27.829 1.00 0.00 H new ATOM 0 HB3 ARG A 18 28.006 28.415 26.695 1.00 0.00 H new ATOM 0 HG2 ARG A 18 29.517 28.621 25.047 1.00 0.00 H new ATOM 0 HG3 ARG A 18 29.614 30.357 25.268 1.00 0.00 H new ATOM 0 HD2 ARG A 18 31.077 29.749 27.377 1.00 0.00 H new ATOM 0 HD3 ARG A 18 31.251 28.190 26.596 1.00 0.00 H new ATOM 0 HE ARG A 18 31.825 30.344 24.743 1.00 0.00 H new ATOM 0 HH11 ARG A 18 33.121 28.490 27.453 1.00 0.00 H new ATOM 0 HH12 ARG A 18 34.803 28.759 26.983 1.00 0.00 H new ATOM 0 HH21 ARG A 18 33.988 30.686 24.147 1.00 0.00 H new ATOM 0 HH22 ARG A 18 35.292 29.997 25.120 1.00 0.00 H new ATOM 271 N CYS A 19 28.685 32.095 28.336 1.00 0.00 N ATOM 272 CA CYS A 19 29.422 33.298 28.708 1.00 0.00 C ATOM 273 C CYS A 19 30.242 33.063 29.972 1.00 0.00 C ATOM 274 O CYS A 19 29.760 32.462 30.932 1.00 0.00 O ATOM 275 CB CYS A 19 28.459 34.467 28.919 1.00 0.00 C ATOM 276 SG CYS A 19 28.254 35.526 27.468 1.00 0.00 S ATOM 0 H CYS A 19 28.413 31.507 29.124 1.00 0.00 H new ATOM 0 HA CYS A 19 30.105 33.543 27.894 1.00 0.00 H new ATOM 0 HB2 CYS A 19 27.485 34.073 29.209 1.00 0.00 H new ATOM 0 HB3 CYS A 19 28.818 35.074 29.750 1.00 0.00 H new ATOM 0 HG CYS A 19 28.361 34.809 26.389 1.00 0.00 H new ATOM 282 N GLN A 20 31.482 33.541 29.964 1.00 0.00 N ATOM 283 CA GLN A 20 32.369 33.381 31.111 1.00 0.00 C ATOM 284 C GLN A 20 32.835 34.736 31.632 1.00 0.00 C ATOM 285 O GLN A 20 32.665 35.759 30.969 1.00 0.00 O ATOM 286 CB GLN A 20 33.578 32.524 30.731 1.00 0.00 C ATOM 287 CG GLN A 20 34.382 33.087 29.570 1.00 0.00 C ATOM 288 CD GLN A 20 34.289 32.228 28.324 1.00 0.00 C ATOM 289 OE1 GLN A 20 33.263 31.597 28.067 1.00 0.00 O ATOM 290 NE2 GLN A 20 35.362 32.198 27.543 1.00 0.00 N ATOM 0 H GLN A 20 31.895 34.042 29.177 1.00 0.00 H new ATOM 0 HA GLN A 20 31.812 32.880 31.903 1.00 0.00 H new ATOM 0 HB2 GLN A 20 34.230 32.425 31.599 1.00 0.00 H new ATOM 0 HB3 GLN A 20 33.236 31.522 30.473 1.00 0.00 H new ATOM 0 HG2 GLN A 20 34.027 34.092 29.341 1.00 0.00 H new ATOM 0 HG3 GLN A 20 35.427 33.178 29.867 1.00 0.00 H new ATOM 0 HE21 GLN A 20 36.191 32.737 27.794 1.00 0.00 H new ATOM 0 HE22 GLN A 20 35.357 31.636 26.692 1.00 0.00 H new ATOM 299 N GLY A 21 33.423 34.736 32.824 1.00 0.00 N ATOM 300 CA GLY A 21 33.904 35.972 33.415 1.00 0.00 C ATOM 301 C GLY A 21 34.813 35.731 34.603 1.00 0.00 C ATOM 302 O GLY A 21 35.583 34.771 34.621 1.00 0.00 O ATOM 0 H GLY A 21 33.575 33.902 33.392 1.00 0.00 H new ATOM 0 HA2 GLY A 21 34.442 36.547 32.661 1.00 0.00 H new ATOM 0 HA3 GLY A 21 33.053 36.576 33.729 1.00 0.00 H new ATOM 306 N VAL A 22 34.725 36.606 35.600 1.00 0.00 N ATOM 307 CA VAL A 22 35.547 36.485 36.798 1.00 0.00 C ATOM 308 C VAL A 22 34.746 36.823 38.051 1.00 0.00 C ATOM 309 O VAL A 22 34.034 37.827 38.094 1.00 0.00 O ATOM 310 CB VAL A 22 36.781 37.404 36.728 1.00 0.00 C ATOM 311 CG1 VAL A 22 37.618 37.272 37.992 1.00 0.00 C ATOM 312 CG2 VAL A 22 37.611 37.086 35.494 1.00 0.00 C ATOM 0 H VAL A 22 34.093 37.406 35.602 1.00 0.00 H new ATOM 0 HA VAL A 22 35.878 35.448 36.850 1.00 0.00 H new ATOM 0 HB VAL A 22 36.440 38.437 36.653 1.00 0.00 H new ATOM 0 HG11 VAL A 22 38.485 37.929 37.924 1.00 0.00 H new ATOM 0 HG12 VAL A 22 37.017 37.553 38.857 1.00 0.00 H new ATOM 0 HG13 VAL A 22 37.952 36.240 38.101 1.00 0.00 H new ATOM 0 HG21 VAL A 22 38.479 37.744 35.460 1.00 0.00 H new ATOM 0 HG22 VAL A 22 37.944 36.049 35.537 1.00 0.00 H new ATOM 0 HG23 VAL A 22 37.006 37.237 34.600 1.00 0.00 H new ATOM 322 N VAL A 23 34.867 35.978 39.070 1.00 0.00 N ATOM 323 CA VAL A 23 34.155 36.187 40.325 1.00 0.00 C ATOM 324 C VAL A 23 34.574 37.498 40.982 1.00 0.00 C ATOM 325 O VAL A 23 35.647 37.590 41.579 1.00 0.00 O ATOM 326 CB VAL A 23 34.402 35.030 41.310 1.00 0.00 C ATOM 327 CG1 VAL A 23 33.585 35.224 42.579 1.00 0.00 C ATOM 328 CG2 VAL A 23 34.077 33.695 40.656 1.00 0.00 C ATOM 0 H VAL A 23 35.451 35.142 39.051 1.00 0.00 H new ATOM 0 HA VAL A 23 33.093 36.228 40.084 1.00 0.00 H new ATOM 0 HB VAL A 23 35.457 35.028 41.583 1.00 0.00 H new ATOM 0 HG11 VAL A 23 33.773 34.396 43.263 1.00 0.00 H new ATOM 0 HG12 VAL A 23 33.871 36.161 43.056 1.00 0.00 H new ATOM 0 HG13 VAL A 23 32.525 35.254 42.328 1.00 0.00 H new ATOM 0 HG21 VAL A 23 34.257 32.888 41.367 1.00 0.00 H new ATOM 0 HG22 VAL A 23 33.030 33.684 40.352 1.00 0.00 H new ATOM 0 HG23 VAL A 23 34.710 33.555 39.780 1.00 0.00 H new ATOM 338 N CYS A 24 33.720 38.509 40.869 1.00 0.00 N ATOM 339 CA CYS A 24 34.001 39.816 41.452 1.00 0.00 C ATOM 340 C CYS A 24 33.460 39.904 42.876 1.00 0.00 C ATOM 341 O CYS A 24 33.990 40.641 43.707 1.00 0.00 O ATOM 342 CB CYS A 24 33.391 40.924 40.592 1.00 0.00 C ATOM 343 SG CYS A 24 34.185 42.536 40.793 1.00 0.00 S ATOM 0 H CYS A 24 32.827 38.449 40.379 1.00 0.00 H new ATOM 0 HA CYS A 24 35.083 39.946 41.485 1.00 0.00 H new ATOM 0 HB2 CYS A 24 33.450 40.630 39.544 1.00 0.00 H new ATOM 0 HB3 CYS A 24 32.333 41.019 40.837 1.00 0.00 H new ATOM 0 HG CYS A 24 33.601 43.406 40.024 1.00 0.00 H new ATOM 349 N ALA A 25 32.401 39.150 43.148 1.00 0.00 N ATOM 350 CA ALA A 25 31.788 39.142 44.471 1.00 0.00 C ATOM 351 C ALA A 25 32.131 37.864 45.228 1.00 0.00 C ATOM 352 O ALA A 25 32.183 36.781 44.645 1.00 0.00 O ATOM 353 CB ALA A 25 30.279 39.300 44.354 1.00 0.00 C ATOM 0 H ALA A 25 31.949 38.536 42.470 1.00 0.00 H new ATOM 0 HA ALA A 25 32.188 39.985 45.035 1.00 0.00 H new ATOM 0 HB1 ALA A 25 29.834 39.292 45.349 1.00 0.00 H new ATOM 0 HB2 ALA A 25 30.049 40.245 43.861 1.00 0.00 H new ATOM 0 HB3 ALA A 25 29.871 38.476 43.768 1.00 0.00 H new ATOM 359 N MET A 26 32.365 37.997 46.529 1.00 0.00 N ATOM 360 CA MET A 26 32.703 36.851 47.365 1.00 0.00 C ATOM 361 C MET A 26 31.834 36.818 48.619 1.00 0.00 C ATOM 362 O MET A 26 32.000 37.635 49.524 1.00 0.00 O ATOM 363 CB MET A 26 34.181 36.896 47.757 1.00 0.00 C ATOM 364 CG MET A 26 35.062 35.991 46.911 1.00 0.00 C ATOM 365 SD MET A 26 35.760 34.622 47.855 1.00 0.00 S ATOM 366 CE MET A 26 34.800 33.250 47.220 1.00 0.00 C ATOM 0 H MET A 26 32.327 38.886 47.027 1.00 0.00 H new ATOM 0 HA MET A 26 32.515 35.945 46.789 1.00 0.00 H new ATOM 0 HB2 MET A 26 34.540 37.922 47.672 1.00 0.00 H new ATOM 0 HB3 MET A 26 34.280 36.610 48.804 1.00 0.00 H new ATOM 0 HG2 MET A 26 34.478 35.594 46.081 1.00 0.00 H new ATOM 0 HG3 MET A 26 35.871 36.579 46.479 1.00 0.00 H new ATOM 0 HE1 MET A 26 34.712 32.482 47.988 1.00 0.00 H new ATOM 0 HE2 MET A 26 33.806 33.600 46.941 1.00 0.00 H new ATOM 0 HE3 MET A 26 35.297 32.832 46.344 1.00 0.00 H new ATOM 376 N LYS A 27 30.906 35.867 48.665 1.00 0.00 N ATOM 377 CA LYS A 27 30.011 35.726 49.807 1.00 0.00 C ATOM 378 C LYS A 27 29.866 34.261 50.207 1.00 0.00 C ATOM 379 O LYS A 27 30.274 33.365 49.470 1.00 0.00 O ATOM 380 CB LYS A 27 28.636 36.315 49.480 1.00 0.00 C ATOM 381 CG LYS A 27 28.032 37.117 50.619 1.00 0.00 C ATOM 382 CD LYS A 27 27.022 38.132 50.111 1.00 0.00 C ATOM 383 CE LYS A 27 26.639 39.128 51.195 1.00 0.00 C ATOM 384 NZ LYS A 27 26.985 40.525 50.812 1.00 0.00 N ATOM 0 H LYS A 27 30.755 35.183 47.924 1.00 0.00 H new ATOM 0 HA LYS A 27 30.443 36.272 50.645 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.724 36.955 48.602 1.00 0.00 H new ATOM 0 HB3 LYS A 27 27.956 35.505 49.217 1.00 0.00 H new ATOM 0 HG2 LYS A 27 27.547 36.442 51.324 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.824 37.631 51.163 1.00 0.00 H new ATOM 0 HD2 LYS A 27 27.439 38.665 49.256 1.00 0.00 H new ATOM 0 HD3 LYS A 27 26.130 37.614 49.759 1.00 0.00 H new ATOM 0 HE2 LYS A 27 25.569 39.059 51.390 1.00 0.00 H new ATOM 0 HE3 LYS A 27 27.149 38.869 52.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 26.708 41.173 51.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 28.010 40.597 50.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 26.479 40.782 49.941 1.00 0.00 H new ATOM 398 N GLU A 28 29.281 34.027 51.377 1.00 0.00 N ATOM 399 CA GLU A 28 29.082 32.670 51.873 1.00 0.00 C ATOM 400 C GLU A 28 27.663 32.189 51.587 1.00 0.00 C ATOM 401 O GLU A 28 26.998 31.630 52.459 1.00 0.00 O ATOM 402 CB GLU A 28 29.361 32.607 53.377 1.00 0.00 C ATOM 403 CG GLU A 28 30.840 32.624 53.723 1.00 0.00 C ATOM 404 CD GLU A 28 31.223 31.530 54.700 1.00 0.00 C ATOM 405 OE1 GLU A 28 30.824 31.624 55.880 1.00 0.00 O ATOM 406 OE2 GLU A 28 31.922 30.582 54.286 1.00 0.00 O ATOM 0 H GLU A 28 28.937 34.759 51.999 1.00 0.00 H new ATOM 0 HA GLU A 28 29.781 32.014 51.353 1.00 0.00 H new ATOM 0 HB2 GLU A 28 28.873 33.451 53.864 1.00 0.00 H new ATOM 0 HB3 GLU A 28 28.912 31.701 53.784 1.00 0.00 H new ATOM 0 HG2 GLU A 28 31.424 32.511 52.810 1.00 0.00 H new ATOM 0 HG3 GLU A 28 31.099 33.593 54.149 1.00 0.00 H new ATOM 413 N ALA A 29 27.205 32.411 50.360 1.00 0.00 N ATOM 414 CA ALA A 29 25.866 31.999 49.957 1.00 0.00 C ATOM 415 C ALA A 29 25.661 32.188 48.458 1.00 0.00 C ATOM 416 O ALA A 29 25.186 31.286 47.768 1.00 0.00 O ATOM 417 CB ALA A 29 24.818 32.778 50.738 1.00 0.00 C ATOM 0 H ALA A 29 27.742 32.874 49.627 1.00 0.00 H new ATOM 0 HA ALA A 29 25.756 30.938 50.180 1.00 0.00 H new ATOM 0 HB1 ALA A 29 23.823 32.461 50.427 1.00 0.00 H new ATOM 0 HB2 ALA A 29 24.943 32.588 51.804 1.00 0.00 H new ATOM 0 HB3 ALA A 29 24.936 33.844 50.543 1.00 0.00 H new ATOM 423 N PHE A 30 26.021 33.366 47.960 1.00 0.00 N ATOM 424 CA PHE A 30 25.874 33.674 46.542 1.00 0.00 C ATOM 425 C PHE A 30 26.866 34.751 46.114 1.00 0.00 C ATOM 426 O PHE A 30 27.508 35.387 46.949 1.00 0.00 O ATOM 427 CB PHE A 30 24.445 34.132 46.243 1.00 0.00 C ATOM 428 CG PHE A 30 23.946 35.191 47.184 1.00 0.00 C ATOM 429 CD1 PHE A 30 24.506 36.458 47.183 1.00 0.00 C ATOM 430 CD2 PHE A 30 22.916 34.919 48.071 1.00 0.00 C ATOM 431 CE1 PHE A 30 24.049 37.434 48.049 1.00 0.00 C ATOM 432 CE2 PHE A 30 22.455 35.891 48.939 1.00 0.00 C ATOM 433 CZ PHE A 30 23.021 37.150 48.927 1.00 0.00 C ATOM 0 H PHE A 30 26.417 34.123 48.517 1.00 0.00 H new ATOM 0 HA PHE A 30 26.083 32.767 45.975 1.00 0.00 H new ATOM 0 HB2 PHE A 30 24.400 34.513 45.223 1.00 0.00 H new ATOM 0 HB3 PHE A 30 23.778 33.271 46.291 1.00 0.00 H new ATOM 0 HD1 PHE A 30 25.309 36.686 46.498 1.00 0.00 H new ATOM 0 HD2 PHE A 30 22.468 33.936 48.084 1.00 0.00 H new ATOM 0 HE1 PHE A 30 24.495 38.417 48.039 1.00 0.00 H new ATOM 0 HE2 PHE A 30 21.653 35.666 49.626 1.00 0.00 H new ATOM 0 HZ PHE A 30 22.661 37.912 49.603 1.00 0.00 H new ATOM 443 N GLY A 31 26.986 34.950 44.805 1.00 0.00 N ATOM 444 CA GLY A 31 27.902 35.950 44.288 1.00 0.00 C ATOM 445 C GLY A 31 27.599 36.325 42.851 1.00 0.00 C ATOM 446 O GLY A 31 26.652 35.813 42.254 1.00 0.00 O ATOM 0 H GLY A 31 26.465 34.437 44.094 1.00 0.00 H new ATOM 0 HA2 GLY A 31 27.851 36.842 44.912 1.00 0.00 H new ATOM 0 HA3 GLY A 31 28.922 35.573 44.355 1.00 0.00 H new ATOM 450 N PHE A 32 28.405 37.223 42.293 1.00 0.00 N ATOM 451 CA PHE A 32 28.217 37.669 40.917 1.00 0.00 C ATOM 452 C PHE A 32 29.475 37.422 40.089 1.00 0.00 C ATOM 453 O PHE A 32 30.522 37.060 40.625 1.00 0.00 O ATOM 454 CB PHE A 32 27.855 39.155 40.885 1.00 0.00 C ATOM 455 CG PHE A 32 26.626 39.490 41.681 1.00 0.00 C ATOM 456 CD1 PHE A 32 26.720 39.806 43.026 1.00 0.00 C ATOM 457 CD2 PHE A 32 25.375 39.488 41.083 1.00 0.00 C ATOM 458 CE1 PHE A 32 25.591 40.114 43.761 1.00 0.00 C ATOM 459 CE2 PHE A 32 24.242 39.795 41.813 1.00 0.00 C ATOM 460 CZ PHE A 32 24.350 40.109 43.153 1.00 0.00 C ATOM 0 H PHE A 32 29.194 37.656 42.772 1.00 0.00 H new ATOM 0 HA PHE A 32 27.399 37.094 40.483 1.00 0.00 H new ATOM 0 HB2 PHE A 32 28.695 39.734 41.268 1.00 0.00 H new ATOM 0 HB3 PHE A 32 27.703 39.461 39.850 1.00 0.00 H new ATOM 0 HD1 PHE A 32 27.687 39.812 43.506 1.00 0.00 H new ATOM 0 HD2 PHE A 32 25.285 39.244 40.035 1.00 0.00 H new ATOM 0 HE1 PHE A 32 25.678 40.358 44.809 1.00 0.00 H new ATOM 0 HE2 PHE A 32 23.273 39.789 41.336 1.00 0.00 H new ATOM 0 HZ PHE A 32 23.466 40.350 43.725 1.00 0.00 H new ATOM 470 N ILE A 33 29.362 37.621 38.780 1.00 0.00 N ATOM 471 CA ILE A 33 30.489 37.421 37.878 1.00 0.00 C ATOM 472 C ILE A 33 30.644 38.600 36.922 1.00 0.00 C ATOM 473 O ILE A 33 29.656 39.171 36.462 1.00 0.00 O ATOM 474 CB ILE A 33 30.332 36.127 37.058 1.00 0.00 C ATOM 475 CG1 ILE A 33 30.133 34.929 37.989 1.00 0.00 C ATOM 476 CG2 ILE A 33 31.545 35.915 36.164 1.00 0.00 C ATOM 477 CD1 ILE A 33 29.712 33.667 37.268 1.00 0.00 C ATOM 0 H ILE A 33 28.502 37.920 38.321 1.00 0.00 H new ATOM 0 HA ILE A 33 31.380 37.341 38.500 1.00 0.00 H new ATOM 0 HB ILE A 33 29.451 36.221 36.424 1.00 0.00 H new ATOM 0 HG12 ILE A 33 31.062 34.738 38.526 1.00 0.00 H new ATOM 0 HG13 ILE A 33 29.379 35.180 38.735 1.00 0.00 H new ATOM 0 HG21 ILE A 33 31.419 34.996 35.591 1.00 0.00 H new ATOM 0 HG22 ILE A 33 31.645 36.758 35.480 1.00 0.00 H new ATOM 0 HG23 ILE A 33 32.441 35.838 36.779 1.00 0.00 H new ATOM 0 HD11 ILE A 33 29.590 32.859 37.990 1.00 0.00 H new ATOM 0 HD12 ILE A 33 28.767 33.840 36.753 1.00 0.00 H new ATOM 0 HD13 ILE A 33 30.476 33.391 36.541 1.00 0.00 H new ATOM 489 N GLU A 34 31.890 38.956 36.627 1.00 0.00 N ATOM 490 CA GLU A 34 32.174 40.066 35.725 1.00 0.00 C ATOM 491 C GLU A 34 32.651 39.555 34.368 1.00 0.00 C ATOM 492 O GLU A 34 33.707 38.932 34.264 1.00 0.00 O ATOM 493 CB GLU A 34 33.230 40.990 36.334 1.00 0.00 C ATOM 494 CG GLU A 34 32.680 42.338 36.771 1.00 0.00 C ATOM 495 CD GLU A 34 33.028 43.452 35.803 1.00 0.00 C ATOM 496 OE1 GLU A 34 32.421 43.501 34.712 1.00 0.00 O ATOM 497 OE2 GLU A 34 33.906 44.274 36.137 1.00 0.00 O ATOM 0 H GLU A 34 32.719 38.492 36.999 1.00 0.00 H new ATOM 0 HA GLU A 34 31.251 40.628 35.579 1.00 0.00 H new ATOM 0 HB2 GLU A 34 33.681 40.495 37.194 1.00 0.00 H new ATOM 0 HB3 GLU A 34 34.024 41.150 35.605 1.00 0.00 H new ATOM 0 HG2 GLU A 34 31.596 42.270 36.867 1.00 0.00 H new ATOM 0 HG3 GLU A 34 33.072 42.584 37.758 1.00 0.00 H new ATOM 504 N ARG A 35 31.864 39.825 33.331 1.00 0.00 N ATOM 505 CA ARG A 35 32.204 39.392 31.981 1.00 0.00 C ATOM 506 C ARG A 35 33.546 39.973 31.546 1.00 0.00 C ATOM 507 O ARG A 35 34.408 39.258 31.037 1.00 0.00 O ATOM 508 CB ARG A 35 31.110 39.812 30.998 1.00 0.00 C ATOM 509 CG ARG A 35 30.321 38.645 30.429 1.00 0.00 C ATOM 510 CD ARG A 35 30.572 38.475 28.939 1.00 0.00 C ATOM 511 NE ARG A 35 31.742 37.643 28.672 1.00 0.00 N ATOM 512 CZ ARG A 35 31.973 37.052 27.505 1.00 0.00 C ATOM 513 NH1 ARG A 35 31.120 37.203 26.501 1.00 0.00 N ATOM 514 NH2 ARG A 35 33.061 36.310 27.339 1.00 0.00 N ATOM 0 H ARG A 35 30.987 40.341 33.400 1.00 0.00 H new ATOM 0 HA ARG A 35 32.283 38.305 31.983 1.00 0.00 H new ATOM 0 HB2 ARG A 35 30.423 40.493 31.501 1.00 0.00 H new ATOM 0 HB3 ARG A 35 31.565 40.367 30.177 1.00 0.00 H new ATOM 0 HG2 ARG A 35 30.596 37.729 30.952 1.00 0.00 H new ATOM 0 HG3 ARG A 35 29.257 38.804 30.604 1.00 0.00 H new ATOM 0 HD2 ARG A 35 29.695 38.027 28.473 1.00 0.00 H new ATOM 0 HD3 ARG A 35 30.711 39.454 28.481 1.00 0.00 H new ATOM 0 HE ARG A 35 32.419 37.508 29.423 1.00 0.00 H new ATOM 0 HH11 ARG A 35 30.284 37.774 26.624 1.00 0.00 H new ATOM 0 HH12 ARG A 35 31.300 36.748 25.606 1.00 0.00 H new ATOM 0 HH21 ARG A 35 33.721 36.193 28.108 1.00 0.00 H new ATOM 0 HH22 ARG A 35 33.237 35.857 26.442 1.00 0.00 H new ATOM 528 N GLY A 36 33.714 41.277 31.749 1.00 0.00 N ATOM 529 CA GLY A 36 34.953 41.932 31.371 1.00 0.00 C ATOM 530 C GLY A 36 34.801 42.787 30.129 1.00 0.00 C ATOM 531 O GLY A 36 34.725 44.013 30.217 1.00 0.00 O ATOM 0 H GLY A 36 33.015 41.890 32.168 1.00 0.00 H new ATOM 0 HA2 GLY A 36 35.298 42.554 32.197 1.00 0.00 H new ATOM 0 HA3 GLY A 36 35.721 41.178 31.198 1.00 0.00 H new ATOM 535 N ASP A 37 34.757 42.141 28.969 1.00 0.00 N ATOM 536 CA ASP A 37 34.613 42.850 27.703 1.00 0.00 C ATOM 537 C ASP A 37 33.388 43.758 27.725 1.00 0.00 C ATOM 538 O ASP A 37 33.432 44.890 27.244 1.00 0.00 O ATOM 539 CB ASP A 37 34.507 41.856 26.546 1.00 0.00 C ATOM 540 CG ASP A 37 35.526 42.125 25.456 1.00 0.00 C ATOM 541 OD1 ASP A 37 35.622 43.286 25.006 1.00 0.00 O ATOM 542 OD2 ASP A 37 36.227 41.174 25.053 1.00 0.00 O ATOM 0 H ASP A 37 34.819 41.127 28.879 1.00 0.00 H new ATOM 0 HA ASP A 37 35.499 43.469 27.559 1.00 0.00 H new ATOM 0 HB2 ASP A 37 34.645 40.844 26.927 1.00 0.00 H new ATOM 0 HB3 ASP A 37 33.504 41.903 26.121 1.00 0.00 H new ATOM 547 N VAL A 38 32.293 43.253 28.286 1.00 0.00 N ATOM 548 CA VAL A 38 31.055 44.018 28.371 1.00 0.00 C ATOM 549 C VAL A 38 30.653 44.254 29.822 1.00 0.00 C ATOM 550 O VAL A 38 31.313 43.778 30.746 1.00 0.00 O ATOM 551 CB VAL A 38 29.903 43.303 27.640 1.00 0.00 C ATOM 552 CG1 VAL A 38 30.217 43.160 26.159 1.00 0.00 C ATOM 553 CG2 VAL A 38 29.635 41.945 28.270 1.00 0.00 C ATOM 0 H VAL A 38 32.239 42.317 28.688 1.00 0.00 H new ATOM 0 HA VAL A 38 31.242 44.978 27.889 1.00 0.00 H new ATOM 0 HB VAL A 38 29.002 43.908 27.739 1.00 0.00 H new ATOM 0 HG11 VAL A 38 29.392 42.653 25.659 1.00 0.00 H new ATOM 0 HG12 VAL A 38 30.355 44.148 25.719 1.00 0.00 H new ATOM 0 HG13 VAL A 38 31.130 42.577 26.035 1.00 0.00 H new ATOM 0 HG21 VAL A 38 28.818 41.453 27.741 1.00 0.00 H new ATOM 0 HG22 VAL A 38 30.532 41.330 28.204 1.00 0.00 H new ATOM 0 HG23 VAL A 38 29.362 42.077 29.317 1.00 0.00 H new ATOM 563 N VAL A 39 29.565 44.992 30.016 1.00 0.00 N ATOM 564 CA VAL A 39 29.073 45.291 31.356 1.00 0.00 C ATOM 565 C VAL A 39 27.864 44.429 31.702 1.00 0.00 C ATOM 566 O VAL A 39 26.881 44.914 32.263 1.00 0.00 O ATOM 567 CB VAL A 39 28.687 46.776 31.494 1.00 0.00 C ATOM 568 CG1 VAL A 39 29.904 47.665 31.291 1.00 0.00 C ATOM 569 CG2 VAL A 39 27.584 47.133 30.508 1.00 0.00 C ATOM 0 H VAL A 39 29.007 45.394 29.262 1.00 0.00 H new ATOM 0 HA VAL A 39 29.885 45.068 32.048 1.00 0.00 H new ATOM 0 HB VAL A 39 28.309 46.944 32.503 1.00 0.00 H new ATOM 0 HG11 VAL A 39 29.612 48.710 31.392 1.00 0.00 H new ATOM 0 HG12 VAL A 39 30.659 47.425 32.040 1.00 0.00 H new ATOM 0 HG13 VAL A 39 30.315 47.498 30.295 1.00 0.00 H new ATOM 0 HG21 VAL A 39 27.323 48.186 30.619 1.00 0.00 H new ATOM 0 HG22 VAL A 39 27.932 46.951 29.491 1.00 0.00 H new ATOM 0 HG23 VAL A 39 26.706 46.519 30.707 1.00 0.00 H new ATOM 579 N LYS A 40 27.944 43.146 31.365 1.00 0.00 N ATOM 580 CA LYS A 40 26.858 42.213 31.642 1.00 0.00 C ATOM 581 C LYS A 40 27.239 41.251 32.763 1.00 0.00 C ATOM 582 O LYS A 40 28.269 40.582 32.695 1.00 0.00 O ATOM 583 CB LYS A 40 26.501 41.425 30.379 1.00 0.00 C ATOM 584 CG LYS A 40 26.027 42.299 29.231 1.00 0.00 C ATOM 585 CD LYS A 40 26.231 41.616 27.889 1.00 0.00 C ATOM 586 CE LYS A 40 24.906 41.201 27.267 1.00 0.00 C ATOM 587 NZ LYS A 40 24.369 42.250 26.356 1.00 0.00 N ATOM 0 H LYS A 40 28.750 42.729 30.900 1.00 0.00 H new ATOM 0 HA LYS A 40 25.990 42.790 31.961 1.00 0.00 H new ATOM 0 HB2 LYS A 40 27.374 40.857 30.056 1.00 0.00 H new ATOM 0 HB3 LYS A 40 25.722 40.702 30.620 1.00 0.00 H new ATOM 0 HG2 LYS A 40 24.971 42.534 29.364 1.00 0.00 H new ATOM 0 HG3 LYS A 40 26.569 43.245 29.245 1.00 0.00 H new ATOM 0 HD2 LYS A 40 26.756 42.290 27.213 1.00 0.00 H new ATOM 0 HD3 LYS A 40 26.864 40.738 28.019 1.00 0.00 H new ATOM 0 HE2 LYS A 40 25.040 40.272 26.713 1.00 0.00 H new ATOM 0 HE3 LYS A 40 24.182 40.999 28.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 23.466 41.930 25.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 24.217 43.129 26.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 25.049 42.424 25.589 1.00 0.00 H new ATOM 601 N GLU A 41 26.400 41.188 33.793 1.00 0.00 N ATOM 602 CA GLU A 41 26.650 40.307 34.927 1.00 0.00 C ATOM 603 C GLU A 41 25.424 39.451 35.232 1.00 0.00 C ATOM 604 O GLU A 41 24.329 39.719 34.737 1.00 0.00 O ATOM 605 CB GLU A 41 27.034 41.126 36.162 1.00 0.00 C ATOM 606 CG GLU A 41 25.876 41.908 36.758 1.00 0.00 C ATOM 607 CD GLU A 41 26.258 43.330 37.122 1.00 0.00 C ATOM 608 OE1 GLU A 41 27.006 43.508 38.106 1.00 0.00 O ATOM 609 OE2 GLU A 41 25.809 44.263 36.424 1.00 0.00 O ATOM 0 H GLU A 41 25.543 41.736 33.865 1.00 0.00 H new ATOM 0 HA GLU A 41 27.477 39.646 34.666 1.00 0.00 H new ATOM 0 HB2 GLU A 41 27.438 40.456 36.921 1.00 0.00 H new ATOM 0 HB3 GLU A 41 27.830 41.820 35.894 1.00 0.00 H new ATOM 0 HG2 GLU A 41 25.051 41.928 36.045 1.00 0.00 H new ATOM 0 HG3 GLU A 41 25.515 41.393 37.649 1.00 0.00 H new ATOM 616 N ILE A 42 25.617 38.422 36.050 1.00 0.00 N ATOM 617 CA ILE A 42 24.528 37.527 36.421 1.00 0.00 C ATOM 618 C ILE A 42 24.659 37.074 37.871 1.00 0.00 C ATOM 619 O ILE A 42 25.705 37.252 38.497 1.00 0.00 O ATOM 620 CB ILE A 42 24.482 36.287 35.509 1.00 0.00 C ATOM 621 CG1 ILE A 42 25.525 35.260 35.956 1.00 0.00 C ATOM 622 CG2 ILE A 42 24.711 36.687 34.060 1.00 0.00 C ATOM 623 CD1 ILE A 42 26.937 35.802 35.972 1.00 0.00 C ATOM 0 H ILE A 42 26.517 38.187 36.468 1.00 0.00 H new ATOM 0 HA ILE A 42 23.602 38.090 36.301 1.00 0.00 H new ATOM 0 HB ILE A 42 23.495 35.832 35.588 1.00 0.00 H new ATOM 0 HG12 ILE A 42 25.269 34.905 36.954 1.00 0.00 H new ATOM 0 HG13 ILE A 42 25.483 34.398 35.291 1.00 0.00 H new ATOM 0 HG21 ILE A 42 24.676 35.800 33.428 1.00 0.00 H new ATOM 0 HG22 ILE A 42 23.935 37.386 33.748 1.00 0.00 H new ATOM 0 HG23 ILE A 42 25.687 37.162 33.964 1.00 0.00 H new ATOM 0 HD11 ILE A 42 27.623 35.020 36.298 1.00 0.00 H new ATOM 0 HD12 ILE A 42 27.212 36.131 34.970 1.00 0.00 H new ATOM 0 HD13 ILE A 42 26.995 36.646 36.659 1.00 0.00 H new ATOM 635 N PHE A 43 23.592 36.484 38.400 1.00 0.00 N ATOM 636 CA PHE A 43 23.588 36.003 39.777 1.00 0.00 C ATOM 637 C PHE A 43 23.658 34.480 39.821 1.00 0.00 C ATOM 638 O PHE A 43 22.884 33.792 39.154 1.00 0.00 O ATOM 639 CB PHE A 43 22.333 36.489 40.505 1.00 0.00 C ATOM 640 CG PHE A 43 22.176 35.908 41.881 1.00 0.00 C ATOM 641 CD1 PHE A 43 21.532 34.695 42.066 1.00 0.00 C ATOM 642 CD2 PHE A 43 22.672 36.575 42.990 1.00 0.00 C ATOM 643 CE1 PHE A 43 21.386 34.158 43.331 1.00 0.00 C ATOM 644 CE2 PHE A 43 22.530 36.042 44.257 1.00 0.00 C ATOM 645 CZ PHE A 43 21.885 34.833 44.428 1.00 0.00 C ATOM 0 H PHE A 43 22.719 36.327 37.896 1.00 0.00 H new ATOM 0 HA PHE A 43 24.469 36.404 40.279 1.00 0.00 H new ATOM 0 HB2 PHE A 43 22.364 37.576 40.580 1.00 0.00 H new ATOM 0 HB3 PHE A 43 21.456 36.235 39.910 1.00 0.00 H new ATOM 0 HD1 PHE A 43 21.140 34.163 41.212 1.00 0.00 H new ATOM 0 HD2 PHE A 43 23.175 37.522 42.863 1.00 0.00 H new ATOM 0 HE1 PHE A 43 20.882 33.212 43.462 1.00 0.00 H new ATOM 0 HE2 PHE A 43 22.923 36.571 45.113 1.00 0.00 H new ATOM 0 HZ PHE A 43 21.771 34.416 45.418 1.00 0.00 H new ATOM 655 N PHE A 44 24.592 33.959 40.610 1.00 0.00 N ATOM 656 CA PHE A 44 24.765 32.517 40.741 1.00 0.00 C ATOM 657 C PHE A 44 24.834 32.109 42.210 1.00 0.00 C ATOM 658 O PHE A 44 25.362 32.842 43.046 1.00 0.00 O ATOM 659 CB PHE A 44 26.034 32.067 40.015 1.00 0.00 C ATOM 660 CG PHE A 44 27.300 32.455 40.724 1.00 0.00 C ATOM 661 CD1 PHE A 44 27.911 33.670 40.464 1.00 0.00 C ATOM 662 CD2 PHE A 44 27.879 31.603 41.652 1.00 0.00 C ATOM 663 CE1 PHE A 44 29.077 34.029 41.114 1.00 0.00 C ATOM 664 CE2 PHE A 44 29.044 31.957 42.306 1.00 0.00 C ATOM 665 CZ PHE A 44 29.643 33.172 42.038 1.00 0.00 C ATOM 0 H PHE A 44 25.241 34.514 41.168 1.00 0.00 H new ATOM 0 HA PHE A 44 23.902 32.029 40.287 1.00 0.00 H new ATOM 0 HB2 PHE A 44 26.011 30.984 39.897 1.00 0.00 H new ATOM 0 HB3 PHE A 44 26.042 32.497 39.013 1.00 0.00 H new ATOM 0 HD1 PHE A 44 27.471 34.345 39.745 1.00 0.00 H new ATOM 0 HD2 PHE A 44 27.414 30.652 41.866 1.00 0.00 H new ATOM 0 HE1 PHE A 44 29.545 34.978 40.900 1.00 0.00 H new ATOM 0 HE2 PHE A 44 29.485 31.284 43.026 1.00 0.00 H new ATOM 0 HZ PHE A 44 30.552 33.452 42.550 1.00 0.00 H new ATOM 675 N HIS A 45 24.295 30.933 42.517 1.00 0.00 N ATOM 676 CA HIS A 45 24.295 30.425 43.884 1.00 0.00 C ATOM 677 C HIS A 45 25.403 29.396 44.082 1.00 0.00 C ATOM 678 O HIS A 45 25.770 28.678 43.151 1.00 0.00 O ATOM 679 CB HIS A 45 22.939 29.803 44.219 1.00 0.00 C ATOM 680 CG HIS A 45 22.436 30.161 45.584 1.00 0.00 C ATOM 681 ND1 HIS A 45 22.637 29.366 46.693 1.00 0.00 N ATOM 682 CD2 HIS A 45 21.739 31.238 46.016 1.00 0.00 C ATOM 683 CE1 HIS A 45 22.084 29.938 47.748 1.00 0.00 C ATOM 684 NE2 HIS A 45 21.533 31.075 47.364 1.00 0.00 N ATOM 0 H HIS A 45 23.853 30.314 41.837 1.00 0.00 H new ATOM 0 HA HIS A 45 24.478 31.263 44.557 1.00 0.00 H new ATOM 0 HB2 HIS A 45 22.208 30.123 43.476 1.00 0.00 H new ATOM 0 HB3 HIS A 45 23.017 28.719 44.143 1.00 0.00 H new ATOM 0 HD2 HIS A 45 21.407 32.070 45.413 1.00 0.00 H new ATOM 0 HE1 HIS A 45 22.083 29.543 48.753 1.00 0.00 H new ATOM 0 HE2 HIS A 45 21.035 31.727 47.970 1.00 0.00 H new ATOM 692 N TYR A 46 25.932 29.330 45.299 1.00 0.00 N ATOM 693 CA TYR A 46 27.001 28.390 45.617 1.00 0.00 C ATOM 694 C TYR A 46 26.512 26.950 45.501 1.00 0.00 C ATOM 695 O TYR A 46 27.286 26.043 45.195 1.00 0.00 O ATOM 696 CB TYR A 46 27.531 28.648 47.029 1.00 0.00 C ATOM 697 CG TYR A 46 28.647 29.667 47.079 1.00 0.00 C ATOM 698 CD1 TYR A 46 28.381 31.025 46.958 1.00 0.00 C ATOM 699 CD2 TYR A 46 29.968 29.270 47.249 1.00 0.00 C ATOM 700 CE1 TYR A 46 29.398 31.959 47.003 1.00 0.00 C ATOM 701 CE2 TYR A 46 30.992 30.197 47.297 1.00 0.00 C ATOM 702 CZ TYR A 46 30.702 31.540 47.173 1.00 0.00 C ATOM 703 OH TYR A 46 31.717 32.467 47.219 1.00 0.00 O ATOM 0 H TYR A 46 25.638 29.916 46.081 1.00 0.00 H new ATOM 0 HA TYR A 46 27.808 28.540 44.900 1.00 0.00 H new ATOM 0 HB2 TYR A 46 26.710 28.989 47.660 1.00 0.00 H new ATOM 0 HB3 TYR A 46 27.888 27.709 47.451 1.00 0.00 H new ATOM 0 HD1 TYR A 46 27.362 31.356 46.826 1.00 0.00 H new ATOM 0 HD2 TYR A 46 30.198 28.219 47.345 1.00 0.00 H new ATOM 0 HE1 TYR A 46 29.174 33.011 46.906 1.00 0.00 H new ATOM 0 HE2 TYR A 46 32.013 29.872 47.431 1.00 0.00 H new ATOM 0 HH TYR A 46 31.592 33.051 47.996 1.00 0.00 H new ATOM 713 N SER A 47 25.222 26.747 45.747 1.00 0.00 N ATOM 714 CA SER A 47 24.629 25.417 45.674 1.00 0.00 C ATOM 715 C SER A 47 24.732 24.854 44.260 1.00 0.00 C ATOM 716 O SER A 47 24.907 23.650 44.072 1.00 0.00 O ATOM 717 CB SER A 47 23.163 25.465 46.110 1.00 0.00 C ATOM 718 OG SER A 47 22.649 24.160 46.311 1.00 0.00 O ATOM 0 H SER A 47 24.567 27.487 45.999 1.00 0.00 H new ATOM 0 HA SER A 47 25.180 24.762 46.349 1.00 0.00 H new ATOM 0 HB2 SER A 47 23.073 26.041 47.031 1.00 0.00 H new ATOM 0 HB3 SER A 47 22.572 25.980 45.353 1.00 0.00 H new ATOM 0 HG SER A 47 21.711 24.217 46.590 1.00 0.00 H new ATOM 724 N GLU A 48 24.623 25.734 43.269 1.00 0.00 N ATOM 725 CA GLU A 48 24.704 25.324 41.872 1.00 0.00 C ATOM 726 C GLU A 48 26.156 25.236 41.414 1.00 0.00 C ATOM 727 O GLU A 48 26.484 24.488 40.492 1.00 0.00 O ATOM 728 CB GLU A 48 23.936 26.306 40.985 1.00 0.00 C ATOM 729 CG GLU A 48 22.528 25.847 40.646 1.00 0.00 C ATOM 730 CD GLU A 48 22.510 24.707 39.646 1.00 0.00 C ATOM 731 OE1 GLU A 48 23.594 24.165 39.346 1.00 0.00 O ATOM 732 OE2 GLU A 48 21.413 24.357 39.164 1.00 0.00 O ATOM 0 H GLU A 48 24.479 26.734 43.408 1.00 0.00 H new ATOM 0 HA GLU A 48 24.253 24.336 41.783 1.00 0.00 H new ATOM 0 HB2 GLU A 48 23.883 27.272 41.488 1.00 0.00 H new ATOM 0 HB3 GLU A 48 24.492 26.458 40.060 1.00 0.00 H new ATOM 0 HG2 GLU A 48 22.023 25.532 41.559 1.00 0.00 H new ATOM 0 HG3 GLU A 48 21.963 26.688 40.243 1.00 0.00 H new ATOM 739 N PHE A 49 27.023 26.005 42.064 1.00 0.00 N ATOM 740 CA PHE A 49 28.441 26.016 41.723 1.00 0.00 C ATOM 741 C PHE A 49 29.006 24.599 41.702 1.00 0.00 C ATOM 742 O PHE A 49 28.834 23.835 42.653 1.00 0.00 O ATOM 743 CB PHE A 49 29.221 26.873 42.722 1.00 0.00 C ATOM 744 CG PHE A 49 30.711 26.785 42.553 1.00 0.00 C ATOM 745 CD1 PHE A 49 31.341 27.425 41.498 1.00 0.00 C ATOM 746 CD2 PHE A 49 31.481 26.061 43.449 1.00 0.00 C ATOM 747 CE1 PHE A 49 32.712 27.346 41.340 1.00 0.00 C ATOM 748 CE2 PHE A 49 32.852 25.979 43.296 1.00 0.00 C ATOM 749 CZ PHE A 49 33.468 26.621 42.239 1.00 0.00 C ATOM 0 H PHE A 49 26.769 26.629 42.830 1.00 0.00 H new ATOM 0 HA PHE A 49 28.546 26.445 40.727 1.00 0.00 H new ATOM 0 HB2 PHE A 49 28.912 27.913 42.615 1.00 0.00 H new ATOM 0 HB3 PHE A 49 28.959 26.565 43.734 1.00 0.00 H new ATOM 0 HD1 PHE A 49 30.754 27.992 40.791 1.00 0.00 H new ATOM 0 HD2 PHE A 49 31.005 25.555 44.276 1.00 0.00 H new ATOM 0 HE1 PHE A 49 33.191 27.851 40.514 1.00 0.00 H new ATOM 0 HE2 PHE A 49 33.442 25.413 44.002 1.00 0.00 H new ATOM 0 HZ PHE A 49 34.539 26.556 42.116 1.00 0.00 H new ATOM 759 N LYS A 50 29.682 24.253 40.611 1.00 0.00 N ATOM 760 CA LYS A 50 30.274 22.929 40.465 1.00 0.00 C ATOM 761 C LYS A 50 31.792 23.022 40.349 1.00 0.00 C ATOM 762 O LYS A 50 32.348 22.927 39.255 1.00 0.00 O ATOM 763 CB LYS A 50 29.700 22.225 39.233 1.00 0.00 C ATOM 764 CG LYS A 50 28.187 22.319 39.129 1.00 0.00 C ATOM 765 CD LYS A 50 27.507 21.764 40.369 1.00 0.00 C ATOM 766 CE LYS A 50 27.798 20.282 40.549 1.00 0.00 C ATOM 767 NZ LYS A 50 26.806 19.627 41.446 1.00 0.00 N ATOM 0 H LYS A 50 29.833 24.872 39.815 1.00 0.00 H new ATOM 0 HA LYS A 50 30.030 22.349 41.355 1.00 0.00 H new ATOM 0 HB2 LYS A 50 30.145 22.658 38.337 1.00 0.00 H new ATOM 0 HB3 LYS A 50 29.990 21.174 39.257 1.00 0.00 H new ATOM 0 HG2 LYS A 50 27.895 23.360 38.988 1.00 0.00 H new ATOM 0 HG3 LYS A 50 27.847 21.771 38.250 1.00 0.00 H new ATOM 0 HD2 LYS A 50 27.847 22.312 41.248 1.00 0.00 H new ATOM 0 HD3 LYS A 50 26.431 21.918 40.294 1.00 0.00 H new ATOM 0 HE2 LYS A 50 27.789 19.789 39.577 1.00 0.00 H new ATOM 0 HE3 LYS A 50 28.799 20.156 40.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 27.039 18.618 41.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 26.832 20.080 42.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 25.853 19.725 41.040 1.00 0.00 H new ATOM 781 N GLY A 51 32.458 23.206 41.485 1.00 0.00 N ATOM 782 CA GLY A 51 33.905 23.306 41.489 1.00 0.00 C ATOM 783 C GLY A 51 34.492 23.179 42.881 1.00 0.00 C ATOM 784 O GLY A 51 34.098 22.303 43.650 1.00 0.00 O ATOM 0 H GLY A 51 32.021 23.288 42.403 1.00 0.00 H new ATOM 0 HA2 GLY A 51 34.322 22.527 40.850 1.00 0.00 H new ATOM 0 HA3 GLY A 51 34.201 24.263 41.059 1.00 0.00 H new ATOM 788 N ASP A 52 35.437 24.055 43.205 1.00 0.00 N ATOM 789 CA ASP A 52 36.080 24.037 44.514 1.00 0.00 C ATOM 790 C ASP A 52 35.460 25.081 45.438 1.00 0.00 C ATOM 791 O ASP A 52 35.599 26.284 45.214 1.00 0.00 O ATOM 792 CB ASP A 52 37.581 24.290 44.371 1.00 0.00 C ATOM 793 CG ASP A 52 38.253 23.287 43.454 1.00 0.00 C ATOM 794 OD1 ASP A 52 38.010 22.074 43.622 1.00 0.00 O ATOM 795 OD2 ASP A 52 39.023 23.716 42.568 1.00 0.00 O ATOM 0 H ASP A 52 35.775 24.786 42.579 1.00 0.00 H new ATOM 0 HA ASP A 52 35.926 23.052 44.954 1.00 0.00 H new ATOM 0 HB2 ASP A 52 37.742 25.296 43.984 1.00 0.00 H new ATOM 0 HB3 ASP A 52 38.049 24.249 45.355 1.00 0.00 H new ATOM 800 N LEU A 53 34.777 24.613 46.476 1.00 0.00 N ATOM 801 CA LEU A 53 34.135 25.506 47.435 1.00 0.00 C ATOM 802 C LEU A 53 35.140 26.013 48.464 1.00 0.00 C ATOM 803 O LEU A 53 34.955 27.077 49.053 1.00 0.00 O ATOM 804 CB LEU A 53 32.984 24.786 48.140 1.00 0.00 C ATOM 805 CG LEU A 53 31.680 25.575 48.273 1.00 0.00 C ATOM 806 CD1 LEU A 53 31.928 26.900 48.978 1.00 0.00 C ATOM 807 CD2 LEU A 53 31.054 25.805 46.905 1.00 0.00 C ATOM 0 H LEU A 53 34.653 23.620 46.676 1.00 0.00 H new ATOM 0 HA LEU A 53 33.739 26.362 46.889 1.00 0.00 H new ATOM 0 HB2 LEU A 53 32.774 23.863 47.599 1.00 0.00 H new ATOM 0 HB3 LEU A 53 33.317 24.502 49.138 1.00 0.00 H new ATOM 0 HG LEU A 53 30.984 24.991 48.875 1.00 0.00 H new ATOM 0 HD11 LEU A 53 30.990 27.448 49.064 1.00 0.00 H new ATOM 0 HD12 LEU A 53 32.331 26.713 49.973 1.00 0.00 H new ATOM 0 HD13 LEU A 53 32.641 27.490 48.403 1.00 0.00 H new ATOM 0 HD21 LEU A 53 30.127 26.368 47.019 1.00 0.00 H new ATOM 0 HD22 LEU A 53 31.746 26.368 46.278 1.00 0.00 H new ATOM 0 HD23 LEU A 53 30.840 24.844 46.437 1.00 0.00 H new ATOM 819 N GLU A 54 36.204 25.244 48.673 1.00 0.00 N ATOM 820 CA GLU A 54 37.238 25.617 49.631 1.00 0.00 C ATOM 821 C GLU A 54 38.315 26.469 48.964 1.00 0.00 C ATOM 822 O GLU A 54 38.809 27.435 49.547 1.00 0.00 O ATOM 823 CB GLU A 54 37.871 24.367 50.245 1.00 0.00 C ATOM 824 CG GLU A 54 38.516 23.446 49.224 1.00 0.00 C ATOM 825 CD GLU A 54 39.057 22.173 49.845 1.00 0.00 C ATOM 826 OE1 GLU A 54 38.317 21.527 50.615 1.00 0.00 O ATOM 827 OE2 GLU A 54 40.222 21.823 49.560 1.00 0.00 O ATOM 0 H GLU A 54 36.372 24.360 48.192 1.00 0.00 H new ATOM 0 HA GLU A 54 36.770 26.204 50.421 1.00 0.00 H new ATOM 0 HB2 GLU A 54 38.623 24.671 50.973 1.00 0.00 H new ATOM 0 HB3 GLU A 54 37.106 23.813 50.789 1.00 0.00 H new ATOM 0 HG2 GLU A 54 37.784 23.189 48.458 1.00 0.00 H new ATOM 0 HG3 GLU A 54 39.327 23.975 48.725 1.00 0.00 H new ATOM 834 N THR A 55 38.675 26.105 47.737 1.00 0.00 N ATOM 835 CA THR A 55 39.693 26.833 46.991 1.00 0.00 C ATOM 836 C THR A 55 39.081 27.584 45.814 1.00 0.00 C ATOM 837 O THR A 55 38.997 27.056 44.704 1.00 0.00 O ATOM 838 CB THR A 55 40.790 25.887 46.467 1.00 0.00 C ATOM 839 OG1 THR A 55 40.222 24.931 45.564 1.00 0.00 O ATOM 840 CG2 THR A 55 41.474 25.162 47.617 1.00 0.00 C ATOM 0 H THR A 55 38.276 25.309 47.239 1.00 0.00 H new ATOM 0 HA THR A 55 40.140 27.548 47.682 1.00 0.00 H new ATOM 0 HB THR A 55 41.534 26.485 45.941 1.00 0.00 H new ATOM 0 HG1 THR A 55 39.860 25.396 44.781 1.00 0.00 H new ATOM 0 HG21 THR A 55 42.245 24.500 47.223 1.00 0.00 H new ATOM 0 HG22 THR A 55 41.930 25.891 48.287 1.00 0.00 H new ATOM 0 HG23 THR A 55 40.738 24.575 48.166 1.00 0.00 H new ATOM 848 N LEU A 56 38.654 28.817 46.063 1.00 0.00 N ATOM 849 CA LEU A 56 38.049 29.641 45.022 1.00 0.00 C ATOM 850 C LEU A 56 38.164 31.123 45.366 1.00 0.00 C ATOM 851 O LEU A 56 37.226 31.721 45.893 1.00 0.00 O ATOM 852 CB LEU A 56 36.580 29.262 44.833 1.00 0.00 C ATOM 853 CG LEU A 56 35.782 30.131 43.860 1.00 0.00 C ATOM 854 CD1 LEU A 56 36.058 29.714 42.423 1.00 0.00 C ATOM 855 CD2 LEU A 56 34.294 30.045 44.165 1.00 0.00 C ATOM 0 H LEU A 56 38.715 29.268 46.976 1.00 0.00 H new ATOM 0 HA LEU A 56 38.586 29.460 44.091 1.00 0.00 H new ATOM 0 HB2 LEU A 56 36.534 28.229 44.488 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.089 29.296 45.806 1.00 0.00 H new ATOM 0 HG LEU A 56 36.099 31.167 43.984 1.00 0.00 H new ATOM 0 HD11 LEU A 56 35.482 30.343 41.745 1.00 0.00 H new ATOM 0 HD12 LEU A 56 37.121 29.828 42.209 1.00 0.00 H new ATOM 0 HD13 LEU A 56 35.770 28.672 42.285 1.00 0.00 H new ATOM 0 HD21 LEU A 56 33.742 30.670 43.463 1.00 0.00 H new ATOM 0 HD22 LEU A 56 33.962 29.011 44.069 1.00 0.00 H new ATOM 0 HD23 LEU A 56 34.110 30.393 45.182 1.00 0.00 H new ATOM 867 N GLN A 57 39.318 31.708 45.063 1.00 0.00 N ATOM 868 CA GLN A 57 39.553 33.121 45.340 1.00 0.00 C ATOM 869 C GLN A 57 40.934 33.548 44.852 1.00 0.00 C ATOM 870 O GLN A 57 41.830 32.728 44.654 1.00 0.00 O ATOM 871 CB GLN A 57 39.420 33.398 46.838 1.00 0.00 C ATOM 872 CG GLN A 57 39.881 32.244 47.714 1.00 0.00 C ATOM 873 CD GLN A 57 40.245 32.686 49.118 1.00 0.00 C ATOM 874 OE1 GLN A 57 39.372 33.004 49.926 1.00 0.00 O ATOM 875 NE2 GLN A 57 41.539 32.707 49.416 1.00 0.00 N ATOM 0 H GLN A 57 40.104 31.227 44.626 1.00 0.00 H new ATOM 0 HA GLN A 57 38.802 33.701 44.803 1.00 0.00 H new ATOM 0 HB2 GLN A 57 40.000 34.287 47.087 1.00 0.00 H new ATOM 0 HB3 GLN A 57 38.378 33.623 47.066 1.00 0.00 H new ATOM 0 HG2 GLN A 57 39.091 31.495 47.766 1.00 0.00 H new ATOM 0 HG3 GLN A 57 40.745 31.765 47.253 1.00 0.00 H new ATOM 0 HE21 GLN A 57 42.228 32.435 48.715 1.00 0.00 H new ATOM 0 HE22 GLN A 57 41.844 32.995 50.346 1.00 0.00 H new ATOM 884 N PRO A 58 41.111 34.863 44.653 1.00 0.00 N ATOM 885 CA PRO A 58 40.051 35.848 44.886 1.00 0.00 C ATOM 886 C PRO A 58 38.928 35.745 43.859 1.00 0.00 C ATOM 887 O PRO A 58 37.750 35.720 44.213 1.00 0.00 O ATOM 888 CB PRO A 58 40.777 37.189 44.751 1.00 0.00 C ATOM 889 CG PRO A 58 41.946 36.900 43.873 1.00 0.00 C ATOM 890 CD PRO A 58 42.359 35.488 44.186 1.00 0.00 C ATOM 0 HA PRO A 58 39.567 35.705 45.852 1.00 0.00 H new ATOM 0 HB2 PRO A 58 40.129 37.947 44.311 1.00 0.00 H new ATOM 0 HB3 PRO A 58 41.095 37.566 45.723 1.00 0.00 H new ATOM 0 HG2 PRO A 58 41.680 37.005 42.821 1.00 0.00 H new ATOM 0 HG3 PRO A 58 42.761 37.597 44.066 1.00 0.00 H new ATOM 0 HD2 PRO A 58 42.757 34.982 43.307 1.00 0.00 H new ATOM 0 HD3 PRO A 58 43.135 35.456 44.951 1.00 0.00 H new ATOM 898 N GLY A 59 39.301 35.684 42.584 1.00 0.00 N ATOM 899 CA GLY A 59 38.313 35.584 41.526 1.00 0.00 C ATOM 900 C GLY A 59 38.798 34.749 40.358 1.00 0.00 C ATOM 901 O GLY A 59 39.248 35.286 39.346 1.00 0.00 O ATOM 0 H GLY A 59 40.270 35.702 42.265 1.00 0.00 H new ATOM 0 HA2 GLY A 59 37.399 35.146 41.927 1.00 0.00 H new ATOM 0 HA3 GLY A 59 38.060 36.584 41.174 1.00 0.00 H new ATOM 905 N ASP A 60 38.708 33.431 40.497 1.00 0.00 N ATOM 906 CA ASP A 60 39.141 32.519 39.445 1.00 0.00 C ATOM 907 C ASP A 60 38.144 32.507 38.291 1.00 0.00 C ATOM 908 O ASP A 60 36.932 32.558 38.504 1.00 0.00 O ATOM 909 CB ASP A 60 39.311 31.105 40.004 1.00 0.00 C ATOM 910 CG ASP A 60 40.752 30.789 40.351 1.00 0.00 C ATOM 911 OD1 ASP A 60 41.195 31.171 41.455 1.00 0.00 O ATOM 912 OD2 ASP A 60 41.438 30.158 39.520 1.00 0.00 O ATOM 0 H ASP A 60 38.339 32.970 41.329 1.00 0.00 H new ATOM 0 HA ASP A 60 40.101 32.870 39.067 1.00 0.00 H new ATOM 0 HB2 ASP A 60 38.693 30.993 40.895 1.00 0.00 H new ATOM 0 HB3 ASP A 60 38.950 30.382 39.272 1.00 0.00 H new ATOM 917 N ASP A 61 38.661 32.440 37.069 1.00 0.00 N ATOM 918 CA ASP A 61 37.816 32.422 35.881 1.00 0.00 C ATOM 919 C ASP A 61 36.749 31.337 35.990 1.00 0.00 C ATOM 920 O ASP A 61 37.032 30.212 36.402 1.00 0.00 O ATOM 921 CB ASP A 61 38.665 32.196 34.629 1.00 0.00 C ATOM 922 CG ASP A 61 39.761 33.231 34.478 1.00 0.00 C ATOM 923 OD1 ASP A 61 40.762 33.148 35.221 1.00 0.00 O ATOM 924 OD2 ASP A 61 39.619 34.126 33.618 1.00 0.00 O ATOM 0 H ASP A 61 39.662 32.397 36.875 1.00 0.00 H new ATOM 0 HA ASP A 61 37.319 33.389 35.804 1.00 0.00 H new ATOM 0 HB2 ASP A 61 39.111 31.202 34.671 1.00 0.00 H new ATOM 0 HB3 ASP A 61 38.023 32.220 33.749 1.00 0.00 H new ATOM 929 N VAL A 62 35.520 31.684 35.619 1.00 0.00 N ATOM 930 CA VAL A 62 34.410 30.740 35.675 1.00 0.00 C ATOM 931 C VAL A 62 33.529 30.854 34.436 1.00 0.00 C ATOM 932 O VAL A 62 33.542 31.872 33.745 1.00 0.00 O ATOM 933 CB VAL A 62 33.544 30.966 36.929 1.00 0.00 C ATOM 934 CG1 VAL A 62 34.298 30.545 38.181 1.00 0.00 C ATOM 935 CG2 VAL A 62 33.110 32.421 37.022 1.00 0.00 C ATOM 0 H VAL A 62 35.268 32.611 35.277 1.00 0.00 H new ATOM 0 HA VAL A 62 34.845 29.742 35.718 1.00 0.00 H new ATOM 0 HB VAL A 62 32.649 30.349 36.848 1.00 0.00 H new ATOM 0 HG11 VAL A 62 33.671 30.712 39.057 1.00 0.00 H new ATOM 0 HG12 VAL A 62 34.553 29.487 38.114 1.00 0.00 H new ATOM 0 HG13 VAL A 62 35.211 31.134 38.271 1.00 0.00 H new ATOM 0 HG21 VAL A 62 32.499 32.562 37.914 1.00 0.00 H new ATOM 0 HG22 VAL A 62 33.991 33.060 37.081 1.00 0.00 H new ATOM 0 HG23 VAL A 62 32.529 32.684 36.138 1.00 0.00 H new ATOM 945 N GLU A 63 32.765 29.801 34.162 1.00 0.00 N ATOM 946 CA GLU A 63 31.878 29.783 33.004 1.00 0.00 C ATOM 947 C GLU A 63 30.427 29.587 33.434 1.00 0.00 C ATOM 948 O GLU A 63 30.149 28.948 34.450 1.00 0.00 O ATOM 949 CB GLU A 63 32.289 28.673 32.036 1.00 0.00 C ATOM 950 CG GLU A 63 31.756 28.867 30.626 1.00 0.00 C ATOM 951 CD GLU A 63 30.799 27.767 30.208 1.00 0.00 C ATOM 952 OE1 GLU A 63 29.720 27.654 30.825 1.00 0.00 O ATOM 953 OE2 GLU A 63 31.130 27.019 29.264 1.00 0.00 O ATOM 0 H GLU A 63 32.742 28.951 34.725 1.00 0.00 H new ATOM 0 HA GLU A 63 31.963 30.745 32.498 1.00 0.00 H new ATOM 0 HB2 GLU A 63 33.377 28.618 32.000 1.00 0.00 H new ATOM 0 HB3 GLU A 63 31.935 27.717 32.421 1.00 0.00 H new ATOM 0 HG2 GLU A 63 31.248 29.829 30.563 1.00 0.00 H new ATOM 0 HG3 GLU A 63 32.592 28.901 29.927 1.00 0.00 H new ATOM 960 N PHE A 64 29.504 30.141 32.654 1.00 0.00 N ATOM 961 CA PHE A 64 28.082 30.028 32.954 1.00 0.00 C ATOM 962 C PHE A 64 27.241 30.287 31.707 1.00 0.00 C ATOM 963 O PHE A 64 27.734 30.813 30.709 1.00 0.00 O ATOM 964 CB PHE A 64 27.692 31.013 34.059 1.00 0.00 C ATOM 965 CG PHE A 64 27.946 32.449 33.698 1.00 0.00 C ATOM 966 CD1 PHE A 64 29.193 33.018 33.902 1.00 0.00 C ATOM 967 CD2 PHE A 64 26.938 33.229 33.155 1.00 0.00 C ATOM 968 CE1 PHE A 64 29.428 34.339 33.572 1.00 0.00 C ATOM 969 CE2 PHE A 64 27.168 34.551 32.823 1.00 0.00 C ATOM 970 CZ PHE A 64 28.415 35.107 33.031 1.00 0.00 C ATOM 0 H PHE A 64 29.716 30.673 31.810 1.00 0.00 H new ATOM 0 HA PHE A 64 27.888 29.012 33.297 1.00 0.00 H new ATOM 0 HB2 PHE A 64 26.635 30.886 34.291 1.00 0.00 H new ATOM 0 HB3 PHE A 64 28.248 30.770 34.964 1.00 0.00 H new ATOM 0 HD1 PHE A 64 29.990 32.423 34.323 1.00 0.00 H new ATOM 0 HD2 PHE A 64 25.961 32.799 32.989 1.00 0.00 H new ATOM 0 HE1 PHE A 64 30.404 34.771 33.737 1.00 0.00 H new ATOM 0 HE2 PHE A 64 26.373 35.149 32.401 1.00 0.00 H new ATOM 0 HZ PHE A 64 28.598 36.139 32.771 1.00 0.00 H new ATOM 980 N THR A 65 25.967 29.912 31.772 1.00 0.00 N ATOM 981 CA THR A 65 25.057 30.100 30.649 1.00 0.00 C ATOM 982 C THR A 65 23.761 30.766 31.097 1.00 0.00 C ATOM 983 O THR A 65 23.085 30.280 32.005 1.00 0.00 O ATOM 984 CB THR A 65 24.724 28.761 29.965 1.00 0.00 C ATOM 985 OG1 THR A 65 25.931 28.070 29.626 1.00 0.00 O ATOM 986 CG2 THR A 65 23.893 28.986 28.710 1.00 0.00 C ATOM 0 H THR A 65 25.542 29.476 32.591 1.00 0.00 H new ATOM 0 HA THR A 65 25.566 30.747 29.935 1.00 0.00 H new ATOM 0 HB THR A 65 24.144 28.157 30.663 1.00 0.00 H new ATOM 0 HG1 THR A 65 25.710 27.219 29.193 1.00 0.00 H new ATOM 0 HG21 THR A 65 23.670 28.026 28.244 1.00 0.00 H new ATOM 0 HG22 THR A 65 22.961 29.486 28.975 1.00 0.00 H new ATOM 0 HG23 THR A 65 24.452 29.608 28.010 1.00 0.00 H new ATOM 994 N ILE A 66 23.420 31.878 30.455 1.00 0.00 N ATOM 995 CA ILE A 66 22.203 32.608 30.788 1.00 0.00 C ATOM 996 C ILE A 66 21.023 32.119 29.955 1.00 0.00 C ATOM 997 O ILE A 66 21.059 32.157 28.725 1.00 0.00 O ATOM 998 CB ILE A 66 22.378 34.123 30.569 1.00 0.00 C ATOM 999 CG1 ILE A 66 23.654 34.615 31.254 1.00 0.00 C ATOM 1000 CG2 ILE A 66 21.165 34.877 31.093 1.00 0.00 C ATOM 1001 CD1 ILE A 66 24.852 34.671 30.331 1.00 0.00 C ATOM 0 H ILE A 66 23.969 32.293 29.702 1.00 0.00 H new ATOM 0 HA ILE A 66 22.002 32.422 31.843 1.00 0.00 H new ATOM 0 HB ILE A 66 22.466 34.313 29.499 1.00 0.00 H new ATOM 0 HG12 ILE A 66 23.476 35.608 31.666 1.00 0.00 H new ATOM 0 HG13 ILE A 66 23.883 33.958 32.093 1.00 0.00 H new ATOM 0 HG21 ILE A 66 21.303 35.946 30.931 1.00 0.00 H new ATOM 0 HG22 ILE A 66 20.272 34.543 30.564 1.00 0.00 H new ATOM 0 HG23 ILE A 66 21.049 34.683 32.159 1.00 0.00 H new ATOM 0 HD11 ILE A 66 25.721 35.028 30.884 1.00 0.00 H new ATOM 0 HD12 ILE A 66 25.056 33.675 29.939 1.00 0.00 H new ATOM 0 HD13 ILE A 66 24.643 35.350 29.505 1.00 0.00 H new ATOM 1013 N LYS A 67 19.977 31.660 30.634 1.00 0.00 N ATOM 1014 CA LYS A 67 18.783 31.165 29.958 1.00 0.00 C ATOM 1015 C LYS A 67 17.669 32.206 29.990 1.00 0.00 C ATOM 1016 O LYS A 67 17.697 33.135 30.798 1.00 0.00 O ATOM 1017 CB LYS A 67 18.303 29.868 30.612 1.00 0.00 C ATOM 1018 CG LYS A 67 19.415 28.865 30.863 1.00 0.00 C ATOM 1019 CD LYS A 67 20.043 28.391 29.563 1.00 0.00 C ATOM 1020 CE LYS A 67 20.535 26.956 29.672 1.00 0.00 C ATOM 1021 NZ LYS A 67 19.469 25.976 29.322 1.00 0.00 N ATOM 0 H LYS A 67 19.932 31.620 31.652 1.00 0.00 H new ATOM 0 HA LYS A 67 19.040 30.966 28.918 1.00 0.00 H new ATOM 0 HB2 LYS A 67 17.819 30.106 31.559 1.00 0.00 H new ATOM 0 HB3 LYS A 67 17.547 29.408 29.975 1.00 0.00 H new ATOM 0 HG2 LYS A 67 20.180 29.319 31.493 1.00 0.00 H new ATOM 0 HG3 LYS A 67 19.018 28.009 31.409 1.00 0.00 H new ATOM 0 HD2 LYS A 67 19.313 28.466 28.757 1.00 0.00 H new ATOM 0 HD3 LYS A 67 20.876 29.043 29.301 1.00 0.00 H new ATOM 0 HE2 LYS A 67 21.390 26.814 29.011 1.00 0.00 H new ATOM 0 HE3 LYS A 67 20.882 26.767 30.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 19.844 25.010 29.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.663 26.094 29.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 19.155 26.139 28.344 1.00 0.00 H new ATOM 1035 N ASP A 68 16.688 32.044 29.109 1.00 0.00 N ATOM 1036 CA ASP A 68 15.562 32.969 29.039 1.00 0.00 C ATOM 1037 C ASP A 68 14.812 33.012 30.366 1.00 0.00 C ATOM 1038 O ASP A 68 14.141 32.051 30.743 1.00 0.00 O ATOM 1039 CB ASP A 68 14.610 32.562 27.913 1.00 0.00 C ATOM 1040 CG ASP A 68 13.703 33.698 27.483 1.00 0.00 C ATOM 1041 OD1 ASP A 68 14.195 34.840 27.370 1.00 0.00 O ATOM 1042 OD2 ASP A 68 12.501 33.444 27.259 1.00 0.00 O ATOM 0 H ASP A 68 16.649 31.281 28.433 1.00 0.00 H new ATOM 0 HA ASP A 68 15.953 33.965 28.831 1.00 0.00 H new ATOM 0 HB2 ASP A 68 15.191 32.220 27.056 1.00 0.00 H new ATOM 0 HB3 ASP A 68 14.001 31.720 28.242 1.00 0.00 H new ATOM 1047 N ARG A 69 14.930 34.133 31.070 1.00 0.00 N ATOM 1048 CA ARG A 69 14.264 34.301 32.356 1.00 0.00 C ATOM 1049 C ARG A 69 13.651 35.694 32.473 1.00 0.00 C ATOM 1050 O ARG A 69 14.355 36.700 32.411 1.00 0.00 O ATOM 1051 CB ARG A 69 15.253 34.070 33.500 1.00 0.00 C ATOM 1052 CG ARG A 69 14.592 33.627 34.796 1.00 0.00 C ATOM 1053 CD ARG A 69 14.544 34.758 35.811 1.00 0.00 C ATOM 1054 NE ARG A 69 13.602 34.482 36.893 1.00 0.00 N ATOM 1055 CZ ARG A 69 13.611 35.124 38.056 1.00 0.00 C ATOM 1056 NH1 ARG A 69 14.508 36.073 38.287 1.00 0.00 N ATOM 1057 NH2 ARG A 69 12.721 34.816 38.991 1.00 0.00 N ATOM 0 H ARG A 69 15.480 34.938 30.772 1.00 0.00 H new ATOM 0 HA ARG A 69 13.464 33.564 32.422 1.00 0.00 H new ATOM 0 HB2 ARG A 69 15.978 33.315 33.195 1.00 0.00 H new ATOM 0 HB3 ARG A 69 15.808 34.991 33.681 1.00 0.00 H new ATOM 0 HG2 ARG A 69 13.580 33.279 34.589 1.00 0.00 H new ATOM 0 HG3 ARG A 69 15.140 32.783 35.215 1.00 0.00 H new ATOM 0 HD2 ARG A 69 15.539 34.914 36.228 1.00 0.00 H new ATOM 0 HD3 ARG A 69 14.260 35.683 35.310 1.00 0.00 H new ATOM 0 HE ARG A 69 12.899 33.757 36.748 1.00 0.00 H new ATOM 0 HH11 ARG A 69 15.194 36.312 37.571 1.00 0.00 H new ATOM 0 HH12 ARG A 69 14.512 36.564 39.181 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.030 34.086 38.817 1.00 0.00 H new ATOM 0 HH22 ARG A 69 12.728 35.309 39.884 1.00 0.00 H new ATOM 1071 N ASN A 70 12.333 35.742 32.642 1.00 0.00 N ATOM 1072 CA ASN A 70 11.625 37.011 32.767 1.00 0.00 C ATOM 1073 C ASN A 70 11.912 37.664 34.115 1.00 0.00 C ATOM 1074 O ASN A 70 11.808 37.025 35.161 1.00 0.00 O ATOM 1075 CB ASN A 70 10.119 36.796 32.602 1.00 0.00 C ATOM 1076 CG ASN A 70 9.513 37.721 31.564 1.00 0.00 C ATOM 1077 OD1 ASN A 70 9.593 38.944 31.684 1.00 0.00 O ATOM 1078 ND2 ASN A 70 8.903 37.140 30.538 1.00 0.00 N ATOM 0 H ASN A 70 11.735 34.918 32.695 1.00 0.00 H new ATOM 0 HA ASN A 70 11.979 37.676 31.979 1.00 0.00 H new ATOM 0 HB2 ASN A 70 9.932 35.761 32.316 1.00 0.00 H new ATOM 0 HB3 ASN A 70 9.625 36.956 33.560 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.477 37.711 29.808 1.00 0.00 H new ATOM 0 HD22 ASN A 70 8.861 36.123 30.479 1.00 0.00 H new ATOM 1085 N GLY A 71 12.274 38.943 34.082 1.00 0.00 N ATOM 1086 CA GLY A 71 12.571 39.663 35.307 1.00 0.00 C ATOM 1087 C GLY A 71 14.049 39.960 35.462 1.00 0.00 C ATOM 1088 O GLY A 71 14.502 41.067 35.169 1.00 0.00 O ATOM 0 H GLY A 71 12.367 39.494 33.228 1.00 0.00 H new ATOM 0 HA2 GLY A 71 12.012 40.599 35.319 1.00 0.00 H new ATOM 0 HA3 GLY A 71 12.230 39.077 36.161 1.00 0.00 H new ATOM 1092 N LYS A 72 14.805 38.970 35.924 1.00 0.00 N ATOM 1093 CA LYS A 72 16.241 39.129 36.118 1.00 0.00 C ATOM 1094 C LYS A 72 17.012 38.015 35.418 1.00 0.00 C ATOM 1095 O LYS A 72 16.454 36.963 35.108 1.00 0.00 O ATOM 1096 CB LYS A 72 16.577 39.136 37.611 1.00 0.00 C ATOM 1097 CG LYS A 72 16.918 40.515 38.152 1.00 0.00 C ATOM 1098 CD LYS A 72 18.402 40.812 38.024 1.00 0.00 C ATOM 1099 CE LYS A 72 18.766 42.131 38.689 1.00 0.00 C ATOM 1100 NZ LYS A 72 19.877 41.971 39.667 1.00 0.00 N ATOM 0 H LYS A 72 14.446 38.048 36.171 1.00 0.00 H new ATOM 0 HA LYS A 72 16.538 40.082 35.680 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.729 38.736 38.167 1.00 0.00 H new ATOM 0 HB3 LYS A 72 17.419 38.467 37.788 1.00 0.00 H new ATOM 0 HG2 LYS A 72 16.347 41.270 37.612 1.00 0.00 H new ATOM 0 HG3 LYS A 72 16.622 40.580 39.199 1.00 0.00 H new ATOM 0 HD2 LYS A 72 18.976 40.004 38.477 1.00 0.00 H new ATOM 0 HD3 LYS A 72 18.678 40.846 36.970 1.00 0.00 H new ATOM 0 HE2 LYS A 72 19.055 42.855 37.927 1.00 0.00 H new ATOM 0 HE3 LYS A 72 17.890 42.535 39.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 20.095 42.892 40.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 19.593 41.300 40.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 20.721 41.609 39.178 1.00 0.00 H new ATOM 1114 N GLU A 73 18.297 38.253 35.175 1.00 0.00 N ATOM 1115 CA GLU A 73 19.143 37.267 34.512 1.00 0.00 C ATOM 1116 C GLU A 73 20.036 36.551 35.521 1.00 0.00 C ATOM 1117 O GLU A 73 20.988 37.129 36.045 1.00 0.00 O ATOM 1118 CB GLU A 73 20.003 37.940 33.440 1.00 0.00 C ATOM 1119 CG GLU A 73 19.356 37.961 32.065 1.00 0.00 C ATOM 1120 CD GLU A 73 20.045 38.917 31.111 1.00 0.00 C ATOM 1121 OE1 GLU A 73 21.276 38.798 30.939 1.00 0.00 O ATOM 1122 OE2 GLU A 73 19.353 39.783 30.537 1.00 0.00 O ATOM 0 H GLU A 73 18.775 39.118 35.427 1.00 0.00 H new ATOM 0 HA GLU A 73 18.496 36.529 34.038 1.00 0.00 H new ATOM 0 HB2 GLU A 73 20.217 38.964 33.747 1.00 0.00 H new ATOM 0 HB3 GLU A 73 20.959 37.421 33.374 1.00 0.00 H new ATOM 0 HG2 GLU A 73 19.375 36.956 31.643 1.00 0.00 H new ATOM 0 HG3 GLU A 73 18.308 38.245 32.165 1.00 0.00 H new ATOM 1129 N VAL A 74 19.722 35.287 35.788 1.00 0.00 N ATOM 1130 CA VAL A 74 20.495 34.490 36.733 1.00 0.00 C ATOM 1131 C VAL A 74 21.112 33.275 36.051 1.00 0.00 C ATOM 1132 O VAL A 74 20.491 32.650 35.192 1.00 0.00 O ATOM 1133 CB VAL A 74 19.624 34.017 37.912 1.00 0.00 C ATOM 1134 CG1 VAL A 74 19.286 35.183 38.829 1.00 0.00 C ATOM 1135 CG2 VAL A 74 18.358 33.344 37.403 1.00 0.00 C ATOM 0 H VAL A 74 18.937 34.793 35.363 1.00 0.00 H new ATOM 0 HA VAL A 74 21.290 35.132 37.113 1.00 0.00 H new ATOM 0 HB VAL A 74 20.190 33.286 38.488 1.00 0.00 H new ATOM 0 HG11 VAL A 74 18.670 34.829 39.656 1.00 0.00 H new ATOM 0 HG12 VAL A 74 20.206 35.616 39.221 1.00 0.00 H new ATOM 0 HG13 VAL A 74 18.739 35.941 38.268 1.00 0.00 H new ATOM 0 HG21 VAL A 74 17.755 33.016 38.250 1.00 0.00 H new ATOM 0 HG22 VAL A 74 17.786 34.051 36.802 1.00 0.00 H new ATOM 0 HG23 VAL A 74 18.625 32.482 36.792 1.00 0.00 H new ATOM 1145 N ALA A 75 22.339 32.944 36.440 1.00 0.00 N ATOM 1146 CA ALA A 75 23.040 31.801 35.868 1.00 0.00 C ATOM 1147 C ALA A 75 22.719 30.522 36.632 1.00 0.00 C ATOM 1148 O ALA A 75 22.199 30.565 37.748 1.00 0.00 O ATOM 1149 CB ALA A 75 24.541 32.052 35.862 1.00 0.00 C ATOM 0 H ALA A 75 22.868 33.451 37.149 1.00 0.00 H new ATOM 0 HA ALA A 75 22.700 31.674 34.840 1.00 0.00 H new ATOM 0 HB1 ALA A 75 25.052 31.191 35.432 1.00 0.00 H new ATOM 0 HB2 ALA A 75 24.759 32.938 35.266 1.00 0.00 H new ATOM 0 HB3 ALA A 75 24.888 32.207 36.884 1.00 0.00 H new ATOM 1155 N THR A 76 23.030 29.381 36.025 1.00 0.00 N ATOM 1156 CA THR A 76 22.773 28.088 36.647 1.00 0.00 C ATOM 1157 C THR A 76 23.842 27.071 36.264 1.00 0.00 C ATOM 1158 O THR A 76 24.245 26.987 35.104 1.00 0.00 O ATOM 1159 CB THR A 76 21.390 27.538 36.248 1.00 0.00 C ATOM 1160 OG1 THR A 76 20.800 28.376 35.248 1.00 0.00 O ATOM 1161 CG2 THR A 76 20.471 27.457 37.457 1.00 0.00 C ATOM 0 H THR A 76 23.461 29.326 35.102 1.00 0.00 H new ATOM 0 HA THR A 76 22.796 28.246 37.725 1.00 0.00 H new ATOM 0 HB THR A 76 21.524 26.534 35.846 1.00 0.00 H new ATOM 0 HG1 THR A 76 19.922 28.019 34.998 1.00 0.00 H new ATOM 0 HG21 THR A 76 19.501 27.066 37.151 1.00 0.00 H new ATOM 0 HG22 THR A 76 20.910 26.795 38.204 1.00 0.00 H new ATOM 0 HG23 THR A 76 20.343 28.452 37.884 1.00 0.00 H new ATOM 1169 N ASP A 77 24.296 26.300 37.246 1.00 0.00 N ATOM 1170 CA ASP A 77 25.318 25.286 37.011 1.00 0.00 C ATOM 1171 C ASP A 77 26.622 25.927 36.547 1.00 0.00 C ATOM 1172 O ASP A 77 27.026 25.773 35.394 1.00 0.00 O ATOM 1173 CB ASP A 77 24.834 24.275 35.972 1.00 0.00 C ATOM 1174 CG ASP A 77 25.537 22.937 36.094 1.00 0.00 C ATOM 1175 OD1 ASP A 77 25.107 22.115 36.930 1.00 0.00 O ATOM 1176 OD2 ASP A 77 26.518 22.712 35.355 1.00 0.00 O ATOM 0 H ASP A 77 23.973 26.358 38.212 1.00 0.00 H new ATOM 0 HA ASP A 77 25.504 24.767 37.952 1.00 0.00 H new ATOM 0 HB2 ASP A 77 23.760 24.129 36.084 1.00 0.00 H new ATOM 0 HB3 ASP A 77 24.998 24.679 34.973 1.00 0.00 H new ATOM 1181 N VAL A 78 27.277 26.647 37.452 1.00 0.00 N ATOM 1182 CA VAL A 78 28.536 27.312 37.135 1.00 0.00 C ATOM 1183 C VAL A 78 29.709 26.342 37.232 1.00 0.00 C ATOM 1184 O VAL A 78 29.788 25.539 38.162 1.00 0.00 O ATOM 1185 CB VAL A 78 28.792 28.506 38.073 1.00 0.00 C ATOM 1186 CG1 VAL A 78 30.135 29.149 37.765 1.00 0.00 C ATOM 1187 CG2 VAL A 78 27.666 29.522 37.961 1.00 0.00 C ATOM 0 H VAL A 78 26.957 26.785 38.411 1.00 0.00 H new ATOM 0 HA VAL A 78 28.453 27.676 36.111 1.00 0.00 H new ATOM 0 HB VAL A 78 28.819 28.140 39.099 1.00 0.00 H new ATOM 0 HG11 VAL A 78 30.298 29.991 38.438 1.00 0.00 H new ATOM 0 HG12 VAL A 78 30.930 28.416 37.902 1.00 0.00 H new ATOM 0 HG13 VAL A 78 30.141 29.502 36.734 1.00 0.00 H new ATOM 0 HG21 VAL A 78 27.863 30.359 38.631 1.00 0.00 H new ATOM 0 HG22 VAL A 78 27.604 29.885 36.935 1.00 0.00 H new ATOM 0 HG23 VAL A 78 26.722 29.051 38.237 1.00 0.00 H new ATOM 1197 N ARG A 79 30.618 26.423 36.266 1.00 0.00 N ATOM 1198 CA ARG A 79 31.787 25.553 36.243 1.00 0.00 C ATOM 1199 C ARG A 79 33.069 26.367 36.093 1.00 0.00 C ATOM 1200 O ARG A 79 33.191 27.191 35.185 1.00 0.00 O ATOM 1201 CB ARG A 79 31.675 24.543 35.098 1.00 0.00 C ATOM 1202 CG ARG A 79 31.375 25.181 33.751 1.00 0.00 C ATOM 1203 CD ARG A 79 32.291 24.641 32.664 1.00 0.00 C ATOM 1204 NE ARG A 79 32.165 23.194 32.511 1.00 0.00 N ATOM 1205 CZ ARG A 79 31.117 22.602 31.951 1.00 0.00 C ATOM 1206 NH1 ARG A 79 30.108 23.330 31.491 1.00 0.00 N ATOM 1207 NH2 ARG A 79 31.076 21.280 31.848 1.00 0.00 N ATOM 0 H ARG A 79 30.567 27.082 35.489 1.00 0.00 H new ATOM 0 HA ARG A 79 31.827 25.016 37.191 1.00 0.00 H new ATOM 0 HB2 ARG A 79 32.607 23.983 35.026 1.00 0.00 H new ATOM 0 HB3 ARG A 79 30.890 23.825 35.334 1.00 0.00 H new ATOM 0 HG2 ARG A 79 30.336 24.992 33.481 1.00 0.00 H new ATOM 0 HG3 ARG A 79 31.493 26.262 33.825 1.00 0.00 H new ATOM 0 HD2 ARG A 79 32.056 25.127 31.717 1.00 0.00 H new ATOM 0 HD3 ARG A 79 33.324 24.892 32.903 1.00 0.00 H new ATOM 0 HE ARG A 79 32.924 22.606 32.853 1.00 0.00 H new ATOM 0 HH11 ARG A 79 30.136 24.347 31.567 1.00 0.00 H new ATOM 0 HH12 ARG A 79 29.304 22.873 31.061 1.00 0.00 H new ATOM 0 HH21 ARG A 79 31.850 20.717 32.199 1.00 0.00 H new ATOM 0 HH22 ARG A 79 30.270 20.827 31.417 1.00 0.00 H new ATOM 1221 N LEU A 80 34.021 26.132 36.989 1.00 0.00 N ATOM 1222 CA LEU A 80 35.294 26.844 36.957 1.00 0.00 C ATOM 1223 C LEU A 80 35.988 26.658 35.611 1.00 0.00 C ATOM 1224 O LEU A 80 35.881 25.602 34.986 1.00 0.00 O ATOM 1225 CB LEU A 80 36.203 26.353 38.085 1.00 0.00 C ATOM 1226 CG LEU A 80 36.265 27.238 39.330 1.00 0.00 C ATOM 1227 CD1 LEU A 80 36.799 26.453 40.517 1.00 0.00 C ATOM 1228 CD2 LEU A 80 37.127 28.466 39.069 1.00 0.00 C ATOM 0 H LEU A 80 33.936 25.454 37.746 1.00 0.00 H new ATOM 0 HA LEU A 80 35.093 27.906 37.097 1.00 0.00 H new ATOM 0 HB2 LEU A 80 35.871 25.360 38.386 1.00 0.00 H new ATOM 0 HB3 LEU A 80 37.213 26.245 37.690 1.00 0.00 H new ATOM 0 HG LEU A 80 35.254 27.571 39.566 1.00 0.00 H new ATOM 0 HD11 LEU A 80 36.836 27.099 41.394 1.00 0.00 H new ATOM 0 HD12 LEU A 80 36.143 25.606 40.718 1.00 0.00 H new ATOM 0 HD13 LEU A 80 37.802 26.090 40.292 1.00 0.00 H new ATOM 0 HD21 LEU A 80 37.160 29.085 39.966 1.00 0.00 H new ATOM 0 HD22 LEU A 80 38.138 28.152 38.807 1.00 0.00 H new ATOM 0 HD23 LEU A 80 36.701 29.041 38.247 1.00 0.00 H new ATOM 1240 N LEU A 81 36.701 27.689 35.172 1.00 0.00 N ATOM 1241 CA LEU A 81 37.416 27.640 33.901 1.00 0.00 C ATOM 1242 C LEU A 81 38.818 27.068 34.087 1.00 0.00 C ATOM 1243 O LEU A 81 39.374 27.066 35.186 1.00 0.00 O ATOM 1244 CB LEU A 81 37.500 29.038 33.286 1.00 0.00 C ATOM 1245 CG LEU A 81 36.276 29.496 32.492 1.00 0.00 C ATOM 1246 CD1 LEU A 81 36.422 30.953 32.081 1.00 0.00 C ATOM 1247 CD2 LEU A 81 36.072 28.613 31.270 1.00 0.00 C ATOM 0 H LEU A 81 36.800 28.570 35.677 1.00 0.00 H new ATOM 0 HA LEU A 81 36.863 26.986 33.226 1.00 0.00 H new ATOM 0 HB2 LEU A 81 37.678 29.756 34.087 1.00 0.00 H new ATOM 0 HB3 LEU A 81 38.369 29.072 32.628 1.00 0.00 H new ATOM 0 HG LEU A 81 35.397 29.406 33.131 1.00 0.00 H new ATOM 0 HD11 LEU A 81 35.542 31.262 31.517 1.00 0.00 H new ATOM 0 HD12 LEU A 81 36.519 31.574 32.971 1.00 0.00 H new ATOM 0 HD13 LEU A 81 37.310 31.069 31.460 1.00 0.00 H new ATOM 0 HD21 LEU A 81 35.197 28.954 30.717 1.00 0.00 H new ATOM 0 HD22 LEU A 81 36.951 28.671 30.629 1.00 0.00 H new ATOM 0 HD23 LEU A 81 35.922 27.581 31.588 1.00 0.00 H new ATOM 1259 N PRO A 82 39.406 26.574 32.988 1.00 0.00 N ATOM 1260 CA PRO A 82 40.752 25.993 33.003 1.00 0.00 C ATOM 1261 C PRO A 82 41.834 27.044 33.228 1.00 0.00 C ATOM 1262 O PRO A 82 41.562 28.243 33.197 1.00 0.00 O ATOM 1263 CB PRO A 82 40.888 25.376 31.609 1.00 0.00 C ATOM 1264 CG PRO A 82 39.952 26.159 30.755 1.00 0.00 C ATOM 1265 CD PRO A 82 38.802 26.543 31.645 1.00 0.00 C ATOM 0 HA PRO A 82 40.878 25.277 33.815 1.00 0.00 H new ATOM 0 HB2 PRO A 82 41.912 25.448 31.243 1.00 0.00 H new ATOM 0 HB3 PRO A 82 40.626 24.318 31.617 1.00 0.00 H new ATOM 0 HG2 PRO A 82 40.442 27.043 30.348 1.00 0.00 H new ATOM 0 HG3 PRO A 82 39.608 25.566 29.907 1.00 0.00 H new ATOM 0 HD2 PRO A 82 38.386 27.512 31.369 1.00 0.00 H new ATOM 0 HD3 PRO A 82 37.989 25.819 31.586 1.00 0.00 H new ATOM 1273 N GLN A 83 43.060 26.584 33.454 1.00 0.00 N ATOM 1274 CA GLN A 83 44.183 27.486 33.684 1.00 0.00 C ATOM 1275 C GLN A 83 45.500 26.828 33.286 1.00 0.00 C ATOM 1276 O GLN A 83 46.080 26.061 34.053 1.00 0.00 O ATOM 1277 CB GLN A 83 44.233 27.907 35.154 1.00 0.00 C ATOM 1278 CG GLN A 83 43.945 29.383 35.375 1.00 0.00 C ATOM 1279 CD GLN A 83 43.063 29.631 36.583 1.00 0.00 C ATOM 1280 OE1 GLN A 83 42.064 28.941 36.790 1.00 0.00 O ATOM 1281 NE2 GLN A 83 43.429 30.620 37.390 1.00 0.00 N ATOM 0 H GLN A 83 43.301 25.593 33.483 1.00 0.00 H new ATOM 0 HA GLN A 83 44.039 28.371 33.064 1.00 0.00 H new ATOM 0 HB2 GLN A 83 43.510 27.316 35.717 1.00 0.00 H new ATOM 0 HB3 GLN A 83 45.219 27.674 35.557 1.00 0.00 H new ATOM 0 HG2 GLN A 83 44.886 29.918 35.501 1.00 0.00 H new ATOM 0 HG3 GLN A 83 43.462 29.792 34.487 1.00 0.00 H new ATOM 0 HE21 GLN A 83 44.264 31.167 37.181 1.00 0.00 H new ATOM 0 HE22 GLN A 83 42.875 30.833 38.219 1.00 0.00 H new ATOM 1290 N GLY A 84 45.968 27.135 32.079 1.00 0.00 N ATOM 1291 CA GLY A 84 47.213 26.564 31.600 1.00 0.00 C ATOM 1292 C GLY A 84 47.096 25.082 31.303 1.00 0.00 C ATOM 1293 O GLY A 84 46.709 24.690 30.202 1.00 0.00 O ATOM 0 H GLY A 84 45.507 27.768 31.426 1.00 0.00 H new ATOM 0 HA2 GLY A 84 47.526 27.089 30.697 1.00 0.00 H new ATOM 0 HA3 GLY A 84 47.992 26.721 32.346 1.00 0.00 H new ATOM 1297 N THR A 85 47.432 24.255 32.288 1.00 0.00 N ATOM 1298 CA THR A 85 47.365 22.808 32.126 1.00 0.00 C ATOM 1299 C THR A 85 46.600 22.161 33.275 1.00 0.00 C ATOM 1300 O THR A 85 46.708 22.589 34.425 1.00 0.00 O ATOM 1301 CB THR A 85 48.772 22.186 32.047 1.00 0.00 C ATOM 1302 OG1 THR A 85 49.623 22.770 33.039 1.00 0.00 O ATOM 1303 CG2 THR A 85 49.378 22.393 30.667 1.00 0.00 C ATOM 0 H THR A 85 47.753 24.562 33.206 1.00 0.00 H new ATOM 0 HA THR A 85 46.839 22.619 31.190 1.00 0.00 H new ATOM 0 HB THR A 85 48.682 21.115 32.231 1.00 0.00 H new ATOM 0 HG1 THR A 85 50.515 22.368 32.983 1.00 0.00 H new ATOM 0 HG21 THR A 85 50.371 21.945 30.635 1.00 0.00 H new ATOM 0 HG22 THR A 85 48.743 21.922 29.917 1.00 0.00 H new ATOM 0 HG23 THR A 85 49.454 23.460 30.459 1.00 0.00 H new ATOM 1311 N VAL A 86 45.828 21.127 32.958 1.00 0.00 N ATOM 1312 CA VAL A 86 45.046 20.419 33.965 1.00 0.00 C ATOM 1313 C VAL A 86 45.317 18.919 33.917 1.00 0.00 C ATOM 1314 O VAL A 86 45.547 18.354 32.847 1.00 0.00 O ATOM 1315 CB VAL A 86 43.537 20.663 33.777 1.00 0.00 C ATOM 1316 CG1 VAL A 86 42.752 20.079 34.942 1.00 0.00 C ATOM 1317 CG2 VAL A 86 43.253 22.150 33.626 1.00 0.00 C ATOM 0 H VAL A 86 45.727 20.761 32.011 1.00 0.00 H new ATOM 0 HA VAL A 86 45.352 20.810 34.936 1.00 0.00 H new ATOM 0 HB VAL A 86 43.216 20.160 32.865 1.00 0.00 H new ATOM 0 HG11 VAL A 86 41.688 20.261 34.791 1.00 0.00 H new ATOM 0 HG12 VAL A 86 42.932 19.005 35.000 1.00 0.00 H new ATOM 0 HG13 VAL A 86 43.073 20.551 35.870 1.00 0.00 H new ATOM 0 HG21 VAL A 86 42.182 22.304 33.494 1.00 0.00 H new ATOM 0 HG22 VAL A 86 43.588 22.677 34.519 1.00 0.00 H new ATOM 0 HG23 VAL A 86 43.785 22.536 32.756 1.00 0.00 H new ATOM 1327 N ILE A 87 45.286 18.281 35.082 1.00 0.00 N ATOM 1328 CA ILE A 87 45.526 16.846 35.172 1.00 0.00 C ATOM 1329 C ILE A 87 44.414 16.150 35.949 1.00 0.00 C ATOM 1330 O ILE A 87 43.889 16.692 36.922 1.00 0.00 O ATOM 1331 CB ILE A 87 46.877 16.543 35.848 1.00 0.00 C ATOM 1332 CG1 ILE A 87 48.009 17.276 35.126 1.00 0.00 C ATOM 1333 CG2 ILE A 87 47.135 15.044 35.866 1.00 0.00 C ATOM 1334 CD1 ILE A 87 49.333 17.211 35.855 1.00 0.00 C ATOM 0 H ILE A 87 45.097 18.735 35.976 1.00 0.00 H new ATOM 0 HA ILE A 87 45.546 16.465 34.151 1.00 0.00 H new ATOM 0 HB ILE A 87 46.839 16.898 36.878 1.00 0.00 H new ATOM 0 HG12 ILE A 87 48.130 16.849 34.130 1.00 0.00 H new ATOM 0 HG13 ILE A 87 47.728 18.321 34.993 1.00 0.00 H new ATOM 0 HG21 ILE A 87 48.093 14.845 36.347 1.00 0.00 H new ATOM 0 HG22 ILE A 87 46.340 14.545 36.421 1.00 0.00 H new ATOM 0 HG23 ILE A 87 47.157 14.666 34.844 1.00 0.00 H new ATOM 0 HD11 ILE A 87 50.089 17.752 35.285 1.00 0.00 H new ATOM 0 HD12 ILE A 87 49.228 17.664 36.841 1.00 0.00 H new ATOM 0 HD13 ILE A 87 49.637 16.170 35.965 1.00 0.00 H new ATOM 1346 N PHE A 88 44.060 14.945 35.514 1.00 0.00 N ATOM 1347 CA PHE A 88 43.011 14.174 36.169 1.00 0.00 C ATOM 1348 C PHE A 88 43.336 13.956 37.644 1.00 0.00 C ATOM 1349 O PHE A 88 44.452 14.221 38.089 1.00 0.00 O ATOM 1350 CB PHE A 88 42.828 12.825 35.471 1.00 0.00 C ATOM 1351 CG PHE A 88 44.111 12.063 35.293 1.00 0.00 C ATOM 1352 CD1 PHE A 88 44.657 11.346 36.345 1.00 0.00 C ATOM 1353 CD2 PHE A 88 44.769 12.064 34.074 1.00 0.00 C ATOM 1354 CE1 PHE A 88 45.838 10.646 36.185 1.00 0.00 C ATOM 1355 CE2 PHE A 88 45.950 11.365 33.907 1.00 0.00 C ATOM 1356 CZ PHE A 88 46.484 10.654 34.964 1.00 0.00 C ATOM 0 H PHE A 88 44.485 14.482 34.711 1.00 0.00 H new ATOM 0 HA PHE A 88 42.082 14.740 36.099 1.00 0.00 H new ATOM 0 HB2 PHE A 88 42.131 12.218 36.049 1.00 0.00 H new ATOM 0 HB3 PHE A 88 42.374 12.989 34.494 1.00 0.00 H new ATOM 0 HD1 PHE A 88 44.154 11.334 37.301 1.00 0.00 H new ATOM 0 HD2 PHE A 88 44.355 12.617 33.244 1.00 0.00 H new ATOM 0 HE1 PHE A 88 46.255 10.093 37.014 1.00 0.00 H new ATOM 0 HE2 PHE A 88 46.454 11.375 32.952 1.00 0.00 H new ATOM 0 HZ PHE A 88 47.405 10.105 34.836 1.00 0.00 H new ATOM 1366 N GLU A 89 42.352 13.471 38.396 1.00 0.00 N ATOM 1367 CA GLU A 89 42.533 13.219 39.820 1.00 0.00 C ATOM 1368 C GLU A 89 42.646 11.723 40.098 1.00 0.00 C ATOM 1369 O GLU A 89 43.306 11.305 41.049 1.00 0.00 O ATOM 1370 CB GLU A 89 41.369 13.811 40.618 1.00 0.00 C ATOM 1371 CG GLU A 89 40.003 13.440 40.067 1.00 0.00 C ATOM 1372 CD GLU A 89 39.446 14.493 39.129 1.00 0.00 C ATOM 1373 OE1 GLU A 89 38.809 15.448 39.620 1.00 0.00 O ATOM 1374 OE2 GLU A 89 39.648 14.362 37.904 1.00 0.00 O ATOM 0 H GLU A 89 41.422 13.245 38.042 1.00 0.00 H new ATOM 0 HA GLU A 89 43.460 13.700 40.133 1.00 0.00 H new ATOM 0 HB2 GLU A 89 41.439 13.472 41.652 1.00 0.00 H new ATOM 0 HB3 GLU A 89 41.464 14.897 40.631 1.00 0.00 H new ATOM 0 HG2 GLU A 89 40.075 12.489 39.538 1.00 0.00 H new ATOM 0 HG3 GLU A 89 39.309 13.293 40.895 1.00 0.00 H new ATOM 1381 N ASP A 90 41.995 10.922 39.261 1.00 0.00 N ATOM 1382 CA ASP A 90 42.022 9.472 39.415 1.00 0.00 C ATOM 1383 C ASP A 90 41.426 9.057 40.757 1.00 0.00 C ATOM 1384 O ASP A 90 42.133 8.980 41.763 1.00 0.00 O ATOM 1385 CB ASP A 90 43.455 8.951 39.296 1.00 0.00 C ATOM 1386 CG ASP A 90 43.511 7.519 38.800 1.00 0.00 C ATOM 1387 OD1 ASP A 90 42.822 6.660 39.389 1.00 0.00 O ATOM 1388 OD2 ASP A 90 44.243 7.258 37.823 1.00 0.00 O ATOM 0 H ASP A 90 41.443 11.252 38.470 1.00 0.00 H new ATOM 0 HA ASP A 90 41.418 9.036 38.619 1.00 0.00 H new ATOM 0 HB2 ASP A 90 44.016 9.591 38.614 1.00 0.00 H new ATOM 0 HB3 ASP A 90 43.944 9.015 40.268 1.00 0.00 H new ATOM 1393 N ILE A 91 40.124 8.792 40.764 1.00 0.00 N ATOM 1394 CA ILE A 91 39.435 8.385 41.983 1.00 0.00 C ATOM 1395 C ILE A 91 38.359 7.346 41.685 1.00 0.00 C ATOM 1396 O ILE A 91 38.394 6.233 42.209 1.00 0.00 O ATOM 1397 CB ILE A 91 38.788 9.589 42.692 1.00 0.00 C ATOM 1398 CG1 ILE A 91 39.821 10.697 42.908 1.00 0.00 C ATOM 1399 CG2 ILE A 91 38.180 9.158 44.018 1.00 0.00 C ATOM 1400 CD1 ILE A 91 39.232 11.970 43.476 1.00 0.00 C ATOM 0 H ILE A 91 39.525 8.852 39.940 1.00 0.00 H new ATOM 0 HA ILE A 91 40.187 7.948 42.640 1.00 0.00 H new ATOM 0 HB ILE A 91 37.991 9.980 42.059 1.00 0.00 H new ATOM 0 HG12 ILE A 91 40.597 10.333 43.582 1.00 0.00 H new ATOM 0 HG13 ILE A 91 40.304 10.922 41.957 1.00 0.00 H new ATOM 0 HG21 ILE A 91 37.726 10.020 44.508 1.00 0.00 H new ATOM 0 HG22 ILE A 91 37.418 8.399 43.839 1.00 0.00 H new ATOM 0 HG23 ILE A 91 38.959 8.745 44.659 1.00 0.00 H new ATOM 0 HD11 ILE A 91 40.021 12.711 43.603 1.00 0.00 H new ATOM 0 HD12 ILE A 91 38.476 12.358 42.793 1.00 0.00 H new ATOM 0 HD13 ILE A 91 38.774 11.759 44.442 1.00 0.00 H new ATOM 1412 N SER A 92 37.404 7.718 40.838 1.00 0.00 N ATOM 1413 CA SER A 92 36.316 6.819 40.471 1.00 0.00 C ATOM 1414 C SER A 92 36.260 6.623 38.959 1.00 0.00 C ATOM 1415 O SER A 92 36.400 7.575 38.193 1.00 0.00 O ATOM 1416 CB SER A 92 34.980 7.369 40.975 1.00 0.00 C ATOM 1417 OG SER A 92 34.904 8.772 40.792 1.00 0.00 O ATOM 0 H SER A 92 37.362 8.635 40.393 1.00 0.00 H new ATOM 0 HA SER A 92 36.503 5.852 40.939 1.00 0.00 H new ATOM 0 HB2 SER A 92 34.160 6.885 40.444 1.00 0.00 H new ATOM 0 HB3 SER A 92 34.860 7.130 42.032 1.00 0.00 H new ATOM 0 HG SER A 92 34.040 9.098 41.120 1.00 0.00 H new ATOM 1423 N GLY A 93 36.054 5.379 38.537 1.00 0.00 N ATOM 1424 CA GLY A 93 35.983 5.078 37.119 1.00 0.00 C ATOM 1425 C GLY A 93 36.621 3.747 36.776 1.00 0.00 C ATOM 1426 O GLY A 93 37.695 3.685 36.176 1.00 0.00 O ATOM 0 H GLY A 93 35.935 4.574 39.152 1.00 0.00 H new ATOM 0 HA2 GLY A 93 34.939 5.069 36.805 1.00 0.00 H new ATOM 0 HA3 GLY A 93 36.478 5.870 36.557 1.00 0.00 H new ATOM 1430 N PRO A 94 35.954 2.649 37.162 1.00 0.00 N ATOM 1431 CA PRO A 94 36.445 1.293 36.903 1.00 0.00 C ATOM 1432 C PRO A 94 36.386 0.927 35.424 1.00 0.00 C ATOM 1433 O PRO A 94 35.312 0.667 34.882 1.00 0.00 O ATOM 1434 CB PRO A 94 35.490 0.410 37.711 1.00 0.00 C ATOM 1435 CG PRO A 94 34.238 1.209 37.822 1.00 0.00 C ATOM 1436 CD PRO A 94 34.669 2.649 37.881 1.00 0.00 C ATOM 0 HA PRO A 94 37.493 1.179 37.182 1.00 0.00 H new ATOM 0 HB2 PRO A 94 35.310 -0.541 37.209 1.00 0.00 H new ATOM 0 HB3 PRO A 94 35.901 0.179 38.694 1.00 0.00 H new ATOM 0 HG2 PRO A 94 33.585 1.032 36.967 1.00 0.00 H new ATOM 0 HG3 PRO A 94 33.677 0.933 38.715 1.00 0.00 H new ATOM 0 HD2 PRO A 94 33.942 3.306 37.404 1.00 0.00 H new ATOM 0 HD3 PRO A 94 34.784 2.993 38.909 1.00 0.00 H new ATOM 1444 N SER A 95 37.547 0.909 34.777 1.00 0.00 N ATOM 1445 CA SER A 95 37.626 0.579 33.359 1.00 0.00 C ATOM 1446 C SER A 95 38.823 -0.325 33.077 1.00 0.00 C ATOM 1447 O SER A 95 38.665 -1.513 32.798 1.00 0.00 O ATOM 1448 CB SER A 95 37.728 1.855 32.521 1.00 0.00 C ATOM 1449 OG SER A 95 38.087 2.965 33.324 1.00 0.00 O ATOM 0 H SER A 95 38.445 1.119 35.212 1.00 0.00 H new ATOM 0 HA SER A 95 36.716 0.045 33.085 1.00 0.00 H new ATOM 0 HB2 SER A 95 38.468 1.718 31.733 1.00 0.00 H new ATOM 0 HB3 SER A 95 36.774 2.050 32.032 1.00 0.00 H new ATOM 0 HG SER A 95 38.147 3.768 32.765 1.00 0.00 H new ATOM 1455 N SER A 96 40.019 0.248 33.154 1.00 0.00 N ATOM 1456 CA SER A 96 41.244 -0.503 32.904 1.00 0.00 C ATOM 1457 C SER A 96 41.226 -1.122 31.510 1.00 0.00 C ATOM 1458 O SER A 96 40.305 -0.893 30.728 1.00 0.00 O ATOM 1459 CB SER A 96 41.420 -1.597 33.959 1.00 0.00 C ATOM 1460 OG SER A 96 41.288 -1.070 35.268 1.00 0.00 O ATOM 0 H SER A 96 40.166 1.230 33.387 1.00 0.00 H new ATOM 0 HA SER A 96 42.085 0.188 32.964 1.00 0.00 H new ATOM 0 HB2 SER A 96 40.678 -2.380 33.802 1.00 0.00 H new ATOM 0 HB3 SER A 96 42.400 -2.060 33.847 1.00 0.00 H new ATOM 0 HG SER A 96 41.403 -1.789 35.923 1.00 0.00 H new ATOM 1466 N GLY A 97 42.254 -1.909 31.206 1.00 0.00 N ATOM 1467 CA GLY A 97 42.339 -2.550 29.906 1.00 0.00 C ATOM 1468 C GLY A 97 41.314 -3.654 29.736 1.00 0.00 C ATOM 1469 O GLY A 97 41.375 -4.677 30.418 1.00 0.00 O ATOM 0 H GLY A 97 43.029 -2.114 31.836 1.00 0.00 H new ATOM 0 HA2 GLY A 97 42.196 -1.802 29.126 1.00 0.00 H new ATOM 0 HA3 GLY A 97 43.339 -2.963 29.773 1.00 0.00 H new TER 1473 GLY A 97