USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 585 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 Single : A 11 SER OG : rot 20:sc= 0.523 USER MOD Single : A 13 THR OG1 : rot -33:sc= 0.12 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.205 X(o=-0.21,f=0) USER MOD Single : A 23 MET CE :methyl -172:sc=-0.00449 (180deg=-0.124) USER MOD Single : A 25 LYS NZ :NH3+ 170:sc= -0.0249 (180deg=-0.162) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -29:sc= 1.31 USER MOD Single : A 30 GLN : amide:sc= 0.788 K(o=0.79,f=-0.01) USER MOD Single : A 38 MET CE :methyl -157:sc= -0.495 (180deg=-2.62!) USER MOD Single : A 40 ASN : amide:sc= -0.474 X(o=-0.47,f=-0.27) USER MOD Single : A 42 SER OG : rot -79:sc= 0.977 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.33 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -165:sc= -0.0262 (180deg=-0.29) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 66 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.3) USER MOD Single : A 70 LYS NZ :NH3+ -170:sc= -2.42! (180deg=-2.53!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -170:sc= -0.29 USER MOD Single : A 83 THR OG1 : rot 80:sc= 1.25 USER MOD Single : A 84 MET CE :methyl -136:sc= -0.0365 (180deg=-2.03) USER MOD ----------------------------------------------------------------- ATOM 55 N SER A 11 6.807 -11.453 -4.783 1.00 0.00 N ATOM 56 CA SER A 11 7.894 -10.481 -4.823 1.00 0.00 C ATOM 57 C SER A 11 7.392 -9.103 -4.370 1.00 0.00 C ATOM 58 O SER A 11 8.164 -8.263 -3.918 1.00 0.00 O ATOM 59 CB SER A 11 8.437 -10.389 -6.239 1.00 0.00 C ATOM 60 OG SER A 11 8.436 -11.672 -6.857 1.00 0.00 O ATOM 0 HA SER A 11 8.686 -10.805 -4.148 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.831 -9.697 -6.823 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.450 -9.988 -6.221 1.00 0.00 H new ATOM 0 HG SER A 11 7.812 -12.262 -6.385 1.00 0.00 H new ATOM 66 N GLU A 12 6.084 -8.904 -4.485 1.00 0.00 N ATOM 67 CA GLU A 12 5.445 -7.650 -4.113 1.00 0.00 C ATOM 68 C GLU A 12 5.565 -7.390 -2.605 1.00 0.00 C ATOM 69 O GLU A 12 5.654 -6.248 -2.168 1.00 0.00 O ATOM 70 CB GLU A 12 3.974 -7.680 -4.528 1.00 0.00 C ATOM 71 CG GLU A 12 3.763 -8.018 -5.999 1.00 0.00 C ATOM 72 CD GLU A 12 2.301 -8.040 -6.393 1.00 0.00 C ATOM 73 OE1 GLU A 12 1.569 -8.934 -5.918 1.00 0.00 O ATOM 74 OE2 GLU A 12 1.879 -7.169 -7.189 1.00 0.00 O ATOM 0 H GLU A 12 5.437 -9.609 -4.839 1.00 0.00 H new ATOM 0 HA GLU A 12 5.953 -6.838 -4.633 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.447 -8.412 -3.916 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.526 -6.709 -4.319 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.289 -7.288 -6.614 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.206 -8.991 -6.211 1.00 0.00 H new ATOM 81 N THR A 13 5.578 -8.459 -1.821 1.00 0.00 N ATOM 82 CA THR A 13 5.694 -8.335 -0.377 1.00 0.00 C ATOM 83 C THR A 13 7.158 -8.417 0.051 1.00 0.00 C ATOM 84 O THR A 13 7.481 -8.244 1.217 1.00 0.00 O ATOM 85 CB THR A 13 4.853 -9.406 0.377 1.00 0.00 C ATOM 86 OG1 THR A 13 4.698 -9.026 1.752 1.00 0.00 O ATOM 87 CG2 THR A 13 5.512 -10.779 0.313 1.00 0.00 C ATOM 0 H THR A 13 5.510 -9.418 -2.160 1.00 0.00 H new ATOM 0 HA THR A 13 5.294 -7.358 -0.107 1.00 0.00 H new ATOM 0 HB THR A 13 3.879 -9.465 -0.109 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.501 -8.552 2.053 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.898 -11.503 0.849 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.610 -11.087 -0.728 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.500 -10.730 0.772 1.00 0.00 H new ATOM 95 N TYR A 14 8.031 -8.681 -0.907 1.00 0.00 N ATOM 96 CA TYR A 14 9.443 -8.818 -0.632 1.00 0.00 C ATOM 97 C TYR A 14 10.088 -7.456 -0.381 1.00 0.00 C ATOM 98 O TYR A 14 11.021 -7.336 0.415 1.00 0.00 O ATOM 99 CB TYR A 14 10.137 -9.536 -1.797 1.00 0.00 C ATOM 100 CG TYR A 14 11.640 -9.516 -1.711 1.00 0.00 C ATOM 101 CD1 TYR A 14 12.316 -10.365 -0.853 1.00 0.00 C ATOM 102 CD2 TYR A 14 12.383 -8.636 -2.486 1.00 0.00 C ATOM 103 CE1 TYR A 14 13.690 -10.339 -0.765 1.00 0.00 C ATOM 104 CE2 TYR A 14 13.753 -8.604 -2.408 1.00 0.00 C ATOM 105 CZ TYR A 14 14.407 -9.457 -1.544 1.00 0.00 C ATOM 106 OH TYR A 14 15.780 -9.431 -1.457 1.00 0.00 O ATOM 0 H TYR A 14 7.779 -8.805 -1.888 1.00 0.00 H new ATOM 0 HA TYR A 14 9.561 -9.415 0.272 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.797 -10.571 -1.828 1.00 0.00 H new ATOM 0 HB3 TYR A 14 9.829 -9.071 -2.734 1.00 0.00 H new ATOM 0 HD1 TYR A 14 11.757 -11.059 -0.243 1.00 0.00 H new ATOM 0 HD2 TYR A 14 11.874 -7.965 -3.162 1.00 0.00 H new ATOM 0 HE1 TYR A 14 14.203 -11.007 -0.089 1.00 0.00 H new ATOM 0 HE2 TYR A 14 14.316 -7.915 -3.020 1.00 0.00 H new ATOM 0 HH TYR A 14 16.134 -8.755 -2.072 1.00 0.00 H new ATOM 116 N ILE A 15 9.578 -6.435 -1.046 1.00 0.00 N ATOM 117 CA ILE A 15 10.132 -5.091 -0.914 1.00 0.00 C ATOM 118 C ILE A 15 9.463 -4.317 0.223 1.00 0.00 C ATOM 119 O ILE A 15 8.485 -4.782 0.823 1.00 0.00 O ATOM 120 CB ILE A 15 9.975 -4.289 -2.216 1.00 0.00 C ATOM 121 CG1 ILE A 15 8.502 -4.211 -2.604 1.00 0.00 C ATOM 122 CG2 ILE A 15 10.793 -4.928 -3.334 1.00 0.00 C ATOM 123 CD1 ILE A 15 8.208 -3.174 -3.655 1.00 0.00 C ATOM 0 H ILE A 15 8.784 -6.506 -1.682 1.00 0.00 H new ATOM 0 HA ILE A 15 11.192 -5.214 -0.690 1.00 0.00 H new ATOM 0 HB ILE A 15 10.347 -3.277 -2.056 1.00 0.00 H new ATOM 0 HG12 ILE A 15 8.179 -5.186 -2.968 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.912 -3.991 -1.714 1.00 0.00 H new ATOM 0 HG21 ILE A 15 10.672 -4.349 -4.250 1.00 0.00 H new ATOM 0 HG22 ILE A 15 11.846 -4.944 -3.051 1.00 0.00 H new ATOM 0 HG23 ILE A 15 10.447 -5.948 -3.501 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.141 -3.176 -3.880 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.499 -2.190 -3.287 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.770 -3.404 -4.560 1.00 0.00 H new ATOM 135 N THR A 16 9.978 -3.130 0.500 1.00 0.00 N ATOM 136 CA THR A 16 9.451 -2.300 1.560 1.00 0.00 C ATOM 137 C THR A 16 8.693 -1.108 0.995 1.00 0.00 C ATOM 138 O THR A 16 8.819 -0.775 -0.187 1.00 0.00 O ATOM 139 CB THR A 16 10.571 -1.795 2.488 1.00 0.00 C ATOM 140 OG1 THR A 16 11.625 -1.208 1.706 1.00 0.00 O ATOM 141 CG2 THR A 16 11.123 -2.932 3.334 1.00 0.00 C ATOM 0 H THR A 16 10.767 -2.721 -0.002 1.00 0.00 H new ATOM 0 HA THR A 16 8.766 -2.920 2.139 1.00 0.00 H new ATOM 0 HB THR A 16 10.154 -1.041 3.155 1.00 0.00 H new ATOM 0 HG1 THR A 16 12.334 -0.887 2.301 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.913 -2.553 3.982 1.00 0.00 H new ATOM 0 HG22 THR A 16 10.324 -3.353 3.944 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.528 -3.706 2.683 1.00 0.00 H new ATOM 149 N CYS A 17 7.920 -0.466 1.847 1.00 0.00 N ATOM 150 CA CYS A 17 7.127 0.689 1.459 1.00 0.00 C ATOM 151 C CYS A 17 8.026 1.858 1.071 1.00 0.00 C ATOM 152 O CYS A 17 7.726 2.605 0.142 1.00 0.00 O ATOM 153 CB CYS A 17 6.247 1.085 2.614 1.00 0.00 C ATOM 154 SG CYS A 17 5.789 -0.320 3.662 1.00 0.00 S ATOM 0 H CYS A 17 7.822 -0.728 2.828 1.00 0.00 H new ATOM 0 HA CYS A 17 6.517 0.428 0.594 1.00 0.00 H new ATOM 0 HB2 CYS A 17 6.763 1.831 3.219 1.00 0.00 H new ATOM 0 HB3 CYS A 17 5.342 1.556 2.230 1.00 0.00 H new ATOM 159 N ALA A 18 9.135 2.003 1.789 1.00 0.00 N ATOM 160 CA ALA A 18 10.098 3.052 1.502 1.00 0.00 C ATOM 161 C ALA A 18 10.654 2.882 0.097 1.00 0.00 C ATOM 162 O ALA A 18 10.869 3.861 -0.627 1.00 0.00 O ATOM 163 CB ALA A 18 11.223 3.034 2.527 1.00 0.00 C ATOM 0 H ALA A 18 9.387 1.404 2.575 1.00 0.00 H new ATOM 0 HA ALA A 18 9.594 4.017 1.562 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.936 3.826 2.298 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.810 3.194 3.523 1.00 0.00 H new ATOM 0 HB3 ALA A 18 11.729 2.069 2.495 1.00 0.00 H new ATOM 169 N GLU A 19 10.868 1.631 -0.296 1.00 0.00 N ATOM 170 CA GLU A 19 11.369 1.330 -1.616 1.00 0.00 C ATOM 171 C GLU A 19 10.286 1.534 -2.668 1.00 0.00 C ATOM 172 O GLU A 19 10.585 1.823 -3.823 1.00 0.00 O ATOM 173 CB GLU A 19 11.918 -0.088 -1.676 1.00 0.00 C ATOM 174 CG GLU A 19 12.710 -0.377 -2.935 1.00 0.00 C ATOM 175 CD GLU A 19 13.485 -1.658 -2.844 1.00 0.00 C ATOM 176 OE1 GLU A 19 14.413 -1.730 -2.009 1.00 0.00 O ATOM 177 OE2 GLU A 19 13.189 -2.595 -3.610 1.00 0.00 O ATOM 0 H GLU A 19 10.699 0.812 0.289 1.00 0.00 H new ATOM 0 HA GLU A 19 12.185 2.020 -1.832 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.555 -0.259 -0.808 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.090 -0.793 -1.608 1.00 0.00 H new ATOM 0 HG2 GLU A 19 12.030 -0.427 -3.785 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.397 0.447 -3.125 1.00 0.00 H new ATOM 184 N ALA A 20 9.023 1.387 -2.265 1.00 0.00 N ATOM 185 CA ALA A 20 7.911 1.621 -3.163 1.00 0.00 C ATOM 186 C ALA A 20 7.903 3.083 -3.586 1.00 0.00 C ATOM 187 O ALA A 20 7.675 3.409 -4.743 1.00 0.00 O ATOM 188 CB ALA A 20 6.595 1.247 -2.501 1.00 0.00 C ATOM 0 H ALA A 20 8.753 1.107 -1.322 1.00 0.00 H new ATOM 0 HA ALA A 20 8.028 0.993 -4.046 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.774 1.431 -3.194 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.611 0.191 -2.230 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.455 1.850 -1.604 1.00 0.00 H new ATOM 194 N ASN A 21 8.198 3.956 -2.637 1.00 0.00 N ATOM 195 CA ASN A 21 8.273 5.381 -2.918 1.00 0.00 C ATOM 196 C ASN A 21 9.514 5.653 -3.751 1.00 0.00 C ATOM 197 O ASN A 21 9.491 6.439 -4.688 1.00 0.00 O ATOM 198 CB ASN A 21 8.310 6.194 -1.616 1.00 0.00 C ATOM 199 CG ASN A 21 8.393 7.695 -1.864 1.00 0.00 C ATOM 200 OD1 ASN A 21 7.377 8.359 -2.059 1.00 0.00 O ATOM 201 ND2 ASN A 21 9.597 8.239 -1.838 1.00 0.00 N ATOM 0 H ASN A 21 8.389 3.704 -1.667 1.00 0.00 H new ATOM 0 HA ASN A 21 7.385 5.686 -3.472 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.417 5.975 -1.030 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.167 5.880 -1.020 1.00 0.00 H new ATOM 0 HD21 ASN A 21 9.706 9.243 -1.983 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.417 7.655 -1.673 1.00 0.00 H new ATOM 208 N GLU A 22 10.593 4.984 -3.379 1.00 0.00 N ATOM 209 CA GLU A 22 11.865 5.054 -4.090 1.00 0.00 C ATOM 210 C GLU A 22 11.692 4.706 -5.582 1.00 0.00 C ATOM 211 O GLU A 22 12.142 5.445 -6.459 1.00 0.00 O ATOM 212 CB GLU A 22 12.850 4.088 -3.438 1.00 0.00 C ATOM 213 CG GLU A 22 14.246 4.112 -4.016 1.00 0.00 C ATOM 214 CD GLU A 22 15.128 3.061 -3.387 1.00 0.00 C ATOM 215 OE1 GLU A 22 15.751 3.346 -2.338 1.00 0.00 O ATOM 216 OE2 GLU A 22 15.187 1.941 -3.919 1.00 0.00 O ATOM 0 H GLU A 22 10.613 4.369 -2.566 1.00 0.00 H new ATOM 0 HA GLU A 22 12.246 6.074 -4.030 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.910 4.317 -2.374 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.454 3.076 -3.525 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.197 3.949 -5.093 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.687 5.097 -3.862 1.00 0.00 H new ATOM 223 N MET A 23 11.029 3.585 -5.856 1.00 0.00 N ATOM 224 CA MET A 23 10.816 3.131 -7.232 1.00 0.00 C ATOM 225 C MET A 23 9.781 4.004 -7.948 1.00 0.00 C ATOM 226 O MET A 23 9.835 4.157 -9.158 1.00 0.00 O ATOM 227 CB MET A 23 10.403 1.650 -7.259 1.00 0.00 C ATOM 228 CG MET A 23 9.090 1.355 -6.557 1.00 0.00 C ATOM 229 SD MET A 23 8.829 -0.405 -6.251 1.00 0.00 S ATOM 230 CE MET A 23 8.794 -1.042 -7.922 1.00 0.00 C ATOM 0 H MET A 23 10.629 2.973 -5.145 1.00 0.00 H new ATOM 0 HA MET A 23 11.760 3.229 -7.769 1.00 0.00 H new ATOM 0 HB2 MET A 23 10.328 1.325 -8.297 1.00 0.00 H new ATOM 0 HB3 MET A 23 11.191 1.057 -6.795 1.00 0.00 H new ATOM 0 HG2 MET A 23 9.064 1.890 -5.608 1.00 0.00 H new ATOM 0 HG3 MET A 23 8.268 1.738 -7.161 1.00 0.00 H new ATOM 0 HE1 MET A 23 8.499 -2.091 -7.905 1.00 0.00 H new ATOM 0 HE2 MET A 23 8.077 -0.473 -8.513 1.00 0.00 H new ATOM 0 HE3 MET A 23 9.785 -0.950 -8.367 1.00 0.00 H new ATOM 240 N ALA A 24 8.830 4.542 -7.181 1.00 0.00 N ATOM 241 CA ALA A 24 7.810 5.468 -7.697 1.00 0.00 C ATOM 242 C ALA A 24 8.424 6.593 -8.541 1.00 0.00 C ATOM 243 O ALA A 24 7.763 7.136 -9.421 1.00 0.00 O ATOM 244 CB ALA A 24 6.989 6.051 -6.558 1.00 0.00 C ATOM 0 H ALA A 24 8.742 4.350 -6.183 1.00 0.00 H new ATOM 0 HA ALA A 24 7.154 4.891 -8.349 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.240 6.733 -6.961 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.492 5.245 -6.018 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.645 6.593 -5.877 1.00 0.00 H new ATOM 250 N LYS A 25 9.684 6.932 -8.270 1.00 0.00 N ATOM 251 CA LYS A 25 10.390 7.959 -9.052 1.00 0.00 C ATOM 252 C LYS A 25 10.514 7.528 -10.513 1.00 0.00 C ATOM 253 O LYS A 25 10.561 8.354 -11.418 1.00 0.00 O ATOM 254 CB LYS A 25 11.797 8.235 -8.480 1.00 0.00 C ATOM 255 CG LYS A 25 11.839 9.158 -7.263 1.00 0.00 C ATOM 256 CD LYS A 25 11.207 8.522 -6.044 1.00 0.00 C ATOM 257 CE LYS A 25 11.299 9.427 -4.827 1.00 0.00 C ATOM 258 NZ LYS A 25 10.569 10.704 -5.026 1.00 0.00 N ATOM 0 H LYS A 25 10.238 6.517 -7.521 1.00 0.00 H new ATOM 0 HA LYS A 25 9.803 8.876 -8.990 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.254 7.283 -8.209 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.412 8.671 -9.267 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.874 9.417 -7.041 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.321 10.088 -7.496 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.161 8.297 -6.252 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.701 7.574 -5.831 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.892 8.909 -3.959 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.346 9.638 -4.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.512 11.216 -4.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.074 11.287 -5.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.609 10.505 -5.372 1.00 0.00 H new ATOM 272 N THR A 26 10.551 6.227 -10.719 1.00 0.00 N ATOM 273 CA THR A 26 10.681 5.658 -12.041 1.00 0.00 C ATOM 274 C THR A 26 9.341 5.077 -12.502 1.00 0.00 C ATOM 275 O THR A 26 8.956 5.212 -13.666 1.00 0.00 O ATOM 276 CB THR A 26 11.735 4.535 -12.041 1.00 0.00 C ATOM 277 OG1 THR A 26 12.884 4.955 -11.287 1.00 0.00 O ATOM 278 CG2 THR A 26 12.163 4.190 -13.460 1.00 0.00 C ATOM 0 H THR A 26 10.492 5.535 -9.972 1.00 0.00 H new ATOM 0 HA THR A 26 10.992 6.451 -12.722 1.00 0.00 H new ATOM 0 HB THR A 26 11.293 3.649 -11.586 1.00 0.00 H new ATOM 0 HG1 THR A 26 13.554 4.240 -11.286 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.908 3.394 -13.432 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.296 3.856 -14.030 1.00 0.00 H new ATOM 0 HG23 THR A 26 12.592 5.072 -13.935 1.00 0.00 H new ATOM 286 N ASP A 27 8.630 4.446 -11.577 1.00 0.00 N ATOM 287 CA ASP A 27 7.359 3.809 -11.890 1.00 0.00 C ATOM 288 C ASP A 27 6.277 4.181 -10.885 1.00 0.00 C ATOM 289 O ASP A 27 5.913 3.377 -10.022 1.00 0.00 O ATOM 290 CB ASP A 27 7.510 2.287 -11.935 1.00 0.00 C ATOM 291 CG ASP A 27 8.287 1.794 -13.134 1.00 0.00 C ATOM 292 OD1 ASP A 27 7.712 1.739 -14.238 1.00 0.00 O ATOM 293 OD2 ASP A 27 9.467 1.441 -12.977 1.00 0.00 O ATOM 0 H ASP A 27 8.914 4.362 -10.601 1.00 0.00 H new ATOM 0 HA ASP A 27 7.056 4.172 -12.872 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.009 1.952 -11.026 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.520 1.831 -11.941 1.00 0.00 H new ATOM 298 N SER A 28 5.785 5.402 -10.982 1.00 0.00 N ATOM 299 CA SER A 28 4.702 5.875 -10.128 1.00 0.00 C ATOM 300 C SER A 28 3.439 5.017 -10.312 1.00 0.00 C ATOM 301 O SER A 28 2.764 4.673 -9.343 1.00 0.00 O ATOM 302 CB SER A 28 4.384 7.337 -10.453 1.00 0.00 C ATOM 303 OG SER A 28 5.560 8.139 -10.443 1.00 0.00 O ATOM 0 H SER A 28 6.121 6.095 -11.651 1.00 0.00 H new ATOM 0 HA SER A 28 5.026 5.793 -9.090 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.908 7.399 -11.432 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.670 7.726 -9.727 1.00 0.00 H new ATOM 0 HG SER A 28 6.212 7.755 -9.821 1.00 0.00 H new ATOM 309 N ALA A 29 3.136 4.663 -11.558 1.00 0.00 N ATOM 310 CA ALA A 29 1.950 3.866 -11.860 1.00 0.00 C ATOM 311 C ALA A 29 2.058 2.458 -11.283 1.00 0.00 C ATOM 312 O ALA A 29 1.061 1.863 -10.884 1.00 0.00 O ATOM 313 CB ALA A 29 1.715 3.808 -13.361 1.00 0.00 C ATOM 0 H ALA A 29 3.694 4.915 -12.374 1.00 0.00 H new ATOM 0 HA ALA A 29 1.096 4.353 -11.389 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.827 3.210 -13.567 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.570 4.817 -13.746 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.579 3.355 -13.847 1.00 0.00 H new ATOM 319 N GLN A 30 3.276 1.938 -11.218 1.00 0.00 N ATOM 320 CA GLN A 30 3.509 0.589 -10.714 1.00 0.00 C ATOM 321 C GLN A 30 3.129 0.473 -9.239 1.00 0.00 C ATOM 322 O GLN A 30 2.548 -0.525 -8.817 1.00 0.00 O ATOM 323 CB GLN A 30 4.973 0.187 -10.913 1.00 0.00 C ATOM 324 CG GLN A 30 5.322 -1.201 -10.386 1.00 0.00 C ATOM 325 CD GLN A 30 4.521 -2.303 -11.051 1.00 0.00 C ATOM 326 OE1 GLN A 30 4.920 -2.841 -12.073 1.00 0.00 O ATOM 327 NE2 GLN A 30 3.388 -2.645 -10.470 1.00 0.00 N ATOM 0 H GLN A 30 4.121 2.430 -11.508 1.00 0.00 H new ATOM 0 HA GLN A 30 2.874 -0.091 -11.282 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.207 0.228 -11.977 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.609 0.921 -10.418 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.385 -1.387 -10.542 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.148 -1.230 -9.310 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.089 -2.172 -9.617 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.810 -3.383 -10.873 1.00 0.00 H new ATOM 336 N VAL A 31 3.430 1.504 -8.467 1.00 0.00 N ATOM 337 CA VAL A 31 3.146 1.476 -7.045 1.00 0.00 C ATOM 338 C VAL A 31 1.691 1.817 -6.776 1.00 0.00 C ATOM 339 O VAL A 31 1.134 1.434 -5.759 1.00 0.00 O ATOM 340 CB VAL A 31 4.076 2.412 -6.238 1.00 0.00 C ATOM 341 CG1 VAL A 31 5.526 2.048 -6.490 1.00 0.00 C ATOM 342 CG2 VAL A 31 3.825 3.875 -6.573 1.00 0.00 C ATOM 0 H VAL A 31 3.867 2.364 -8.799 1.00 0.00 H new ATOM 0 HA VAL A 31 3.339 0.458 -6.707 1.00 0.00 H new ATOM 0 HB VAL A 31 3.854 2.277 -5.179 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.173 2.713 -5.917 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.701 1.017 -6.182 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.748 2.152 -7.552 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.496 4.503 -5.987 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.007 4.041 -7.635 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.792 4.130 -6.337 1.00 0.00 H new ATOM 352 N ALA A 32 1.077 2.515 -7.714 1.00 0.00 N ATOM 353 CA ALA A 32 -0.317 2.884 -7.588 1.00 0.00 C ATOM 354 C ALA A 32 -1.211 1.699 -7.930 1.00 0.00 C ATOM 355 O ALA A 32 -2.235 1.480 -7.299 1.00 0.00 O ATOM 356 CB ALA A 32 -0.633 4.069 -8.491 1.00 0.00 C ATOM 0 H ALA A 32 1.525 2.837 -8.572 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.510 3.175 -6.555 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.685 4.336 -8.386 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.013 4.919 -8.206 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.428 3.801 -9.528 1.00 0.00 H new ATOM 362 N GLU A 33 -0.804 0.938 -8.934 1.00 0.00 N ATOM 363 CA GLU A 33 -1.556 -0.221 -9.382 1.00 0.00 C ATOM 364 C GLU A 33 -1.578 -1.305 -8.322 1.00 0.00 C ATOM 365 O GLU A 33 -2.623 -1.898 -8.050 1.00 0.00 O ATOM 366 CB GLU A 33 -0.941 -0.767 -10.669 1.00 0.00 C ATOM 367 CG GLU A 33 -1.711 -1.915 -11.301 1.00 0.00 C ATOM 368 CD GLU A 33 -3.075 -1.503 -11.814 1.00 0.00 C ATOM 369 OE1 GLU A 33 -3.144 -0.603 -12.675 1.00 0.00 O ATOM 370 OE2 GLU A 33 -4.083 -2.096 -11.382 1.00 0.00 O ATOM 0 H GLU A 33 0.054 1.107 -9.459 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.584 0.090 -9.569 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.866 0.044 -11.393 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.075 -1.101 -10.458 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.128 -2.326 -12.125 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.831 -2.712 -10.567 1.00 0.00 H new ATOM 377 N ILE A 34 -0.433 -1.545 -7.703 1.00 0.00 N ATOM 378 CA ILE A 34 -0.318 -2.603 -6.730 1.00 0.00 C ATOM 379 C ILE A 34 -1.139 -2.297 -5.488 1.00 0.00 C ATOM 380 O ILE A 34 -1.888 -3.154 -5.001 1.00 0.00 O ATOM 381 CB ILE A 34 1.163 -2.901 -6.350 1.00 0.00 C ATOM 382 CG1 ILE A 34 1.219 -3.947 -5.250 1.00 0.00 C ATOM 383 CG2 ILE A 34 1.893 -1.639 -5.925 1.00 0.00 C ATOM 384 CD1 ILE A 34 2.621 -4.325 -4.827 1.00 0.00 C ATOM 0 H ILE A 34 0.426 -1.018 -7.862 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.718 -3.503 -7.197 1.00 0.00 H new ATOM 0 HB ILE A 34 1.667 -3.289 -7.235 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.677 -3.574 -4.381 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.699 -4.843 -5.589 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.923 -1.884 -5.667 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.885 -0.921 -6.745 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.395 -1.205 -5.058 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.573 -5.076 -4.039 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.162 -4.730 -5.682 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.140 -3.441 -4.455 1.00 0.00 H new ATOM 396 N VAL A 35 -1.019 -1.078 -4.979 1.00 0.00 N ATOM 397 CA VAL A 35 -1.775 -0.685 -3.812 1.00 0.00 C ATOM 398 C VAL A 35 -3.266 -0.569 -4.120 1.00 0.00 C ATOM 399 O VAL A 35 -4.090 -0.678 -3.230 1.00 0.00 O ATOM 400 CB VAL A 35 -1.263 0.627 -3.187 1.00 0.00 C ATOM 401 CG1 VAL A 35 0.208 0.519 -2.815 1.00 0.00 C ATOM 402 CG2 VAL A 35 -1.509 1.815 -4.103 1.00 0.00 C ATOM 0 H VAL A 35 -0.408 -0.354 -5.357 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.628 -1.479 -3.080 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.830 0.796 -2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.542 1.459 -2.376 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.343 -0.286 -2.093 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.795 0.307 -3.709 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.135 2.723 -3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.990 1.659 -5.049 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.578 1.916 -4.288 1.00 0.00 H new ATOM 412 N ALA A 36 -3.605 -0.347 -5.384 1.00 0.00 N ATOM 413 CA ALA A 36 -4.996 -0.267 -5.789 1.00 0.00 C ATOM 414 C ALA A 36 -5.627 -1.648 -5.751 1.00 0.00 C ATOM 415 O ALA A 36 -6.671 -1.847 -5.123 1.00 0.00 O ATOM 416 CB ALA A 36 -5.121 0.339 -7.178 1.00 0.00 C ATOM 0 H ALA A 36 -2.935 -0.220 -6.142 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.525 0.382 -5.090 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.173 0.389 -7.460 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.698 1.344 -7.176 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.582 -0.280 -7.895 1.00 0.00 H new ATOM 422 N VAL A 37 -4.993 -2.602 -6.432 1.00 0.00 N ATOM 423 CA VAL A 37 -5.462 -3.981 -6.434 1.00 0.00 C ATOM 424 C VAL A 37 -5.571 -4.507 -5.007 1.00 0.00 C ATOM 425 O VAL A 37 -6.659 -4.840 -4.543 1.00 0.00 O ATOM 426 CB VAL A 37 -4.535 -4.909 -7.257 1.00 0.00 C ATOM 427 CG1 VAL A 37 -5.036 -6.348 -7.209 1.00 0.00 C ATOM 428 CG2 VAL A 37 -4.442 -4.429 -8.697 1.00 0.00 C ATOM 0 H VAL A 37 -4.153 -2.442 -6.989 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.445 -3.984 -6.904 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.539 -4.876 -6.815 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.371 -6.984 -7.793 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.053 -6.693 -6.175 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -6.043 -6.397 -7.624 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.786 -5.093 -9.260 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.435 -4.432 -9.146 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.038 -3.417 -8.718 1.00 0.00 H new ATOM 438 N MET A 38 -4.449 -4.595 -4.315 1.00 0.00 N ATOM 439 CA MET A 38 -4.425 -5.033 -2.929 1.00 0.00 C ATOM 440 C MET A 38 -5.331 -4.198 -2.042 1.00 0.00 C ATOM 441 O MET A 38 -6.109 -4.739 -1.266 1.00 0.00 O ATOM 442 CB MET A 38 -2.994 -4.965 -2.404 1.00 0.00 C ATOM 443 CG MET A 38 -2.281 -6.299 -2.362 1.00 0.00 C ATOM 444 SD MET A 38 -2.956 -7.394 -1.100 1.00 0.00 S ATOM 445 CE MET A 38 -2.819 -6.344 0.354 1.00 0.00 C ATOM 0 H MET A 38 -3.531 -4.366 -4.696 1.00 0.00 H new ATOM 0 HA MET A 38 -4.796 -6.057 -2.900 1.00 0.00 H new ATOM 0 HB2 MET A 38 -2.422 -4.280 -3.030 1.00 0.00 H new ATOM 0 HB3 MET A 38 -3.008 -4.542 -1.399 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.358 -6.781 -3.337 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.221 -6.136 -2.169 1.00 0.00 H new ATOM 0 HE1 MET A 38 -2.797 -6.964 1.250 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.901 -5.759 0.295 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.675 -5.671 0.399 1.00 0.00 H new ATOM 455 N GLY A 39 -5.224 -2.888 -2.165 1.00 0.00 N ATOM 456 CA GLY A 39 -5.993 -1.982 -1.333 1.00 0.00 C ATOM 457 C GLY A 39 -7.481 -2.209 -1.417 1.00 0.00 C ATOM 458 O GLY A 39 -8.131 -2.400 -0.402 1.00 0.00 O ATOM 0 H GLY A 39 -4.610 -2.427 -2.836 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.674 -2.093 -0.297 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.772 -0.956 -1.626 1.00 0.00 H new ATOM 462 N ASN A 40 -8.014 -2.216 -2.625 1.00 0.00 N ATOM 463 CA ASN A 40 -9.453 -2.375 -2.818 1.00 0.00 C ATOM 464 C ASN A 40 -9.947 -3.729 -2.285 1.00 0.00 C ATOM 465 O ASN A 40 -11.020 -3.816 -1.696 1.00 0.00 O ATOM 466 CB ASN A 40 -9.833 -2.172 -4.298 1.00 0.00 C ATOM 467 CG ASN A 40 -9.980 -3.460 -5.089 1.00 0.00 C ATOM 468 OD1 ASN A 40 -11.060 -4.043 -5.171 1.00 0.00 O ATOM 469 ND2 ASN A 40 -8.901 -3.903 -5.677 1.00 0.00 N ATOM 0 H ASN A 40 -7.479 -2.114 -3.487 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.956 -1.602 -2.237 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -10.772 -1.620 -4.347 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -9.073 -1.552 -4.774 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.936 -4.761 -6.228 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.024 -3.391 -5.585 1.00 0.00 H new ATOM 476 N ALA A 41 -9.154 -4.771 -2.484 1.00 0.00 N ATOM 477 CA ALA A 41 -9.501 -6.097 -1.988 1.00 0.00 C ATOM 478 C ALA A 41 -9.400 -6.162 -0.460 1.00 0.00 C ATOM 479 O ALA A 41 -10.273 -6.716 0.211 1.00 0.00 O ATOM 480 CB ALA A 41 -8.607 -7.147 -2.627 1.00 0.00 C ATOM 0 H ALA A 41 -8.267 -4.726 -2.985 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.536 -6.302 -2.262 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.876 -8.133 -2.248 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.737 -7.126 -3.709 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.566 -6.936 -2.382 1.00 0.00 H new ATOM 486 N SER A 42 -8.327 -5.604 0.071 1.00 0.00 N ATOM 487 CA SER A 42 -8.104 -5.595 1.514 1.00 0.00 C ATOM 488 C SER A 42 -9.180 -4.780 2.249 1.00 0.00 C ATOM 489 O SER A 42 -9.774 -5.265 3.220 1.00 0.00 O ATOM 490 CB SER A 42 -6.690 -5.109 1.861 1.00 0.00 C ATOM 491 OG SER A 42 -6.407 -3.860 1.265 1.00 0.00 O ATOM 0 H SER A 42 -7.593 -5.150 -0.472 1.00 0.00 H new ATOM 0 HA SER A 42 -8.188 -6.625 1.862 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.588 -5.027 2.943 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.960 -5.846 1.527 1.00 0.00 H new ATOM 0 HG SER A 42 -6.183 -3.992 0.320 1.00 0.00 H new ATOM 497 N VAL A 43 -9.452 -3.557 1.781 1.00 0.00 N ATOM 498 CA VAL A 43 -10.487 -2.726 2.397 1.00 0.00 C ATOM 499 C VAL A 43 -11.848 -3.415 2.339 1.00 0.00 C ATOM 500 O VAL A 43 -12.598 -3.410 3.320 1.00 0.00 O ATOM 501 CB VAL A 43 -10.596 -1.309 1.760 1.00 0.00 C ATOM 502 CG1 VAL A 43 -9.330 -0.508 1.987 1.00 0.00 C ATOM 503 CG2 VAL A 43 -10.920 -1.388 0.279 1.00 0.00 C ATOM 0 H VAL A 43 -8.976 -3.127 0.988 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.183 -2.595 3.435 1.00 0.00 H new ATOM 0 HB VAL A 43 -11.419 -0.794 2.256 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.436 0.476 1.531 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.158 -0.396 3.057 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.485 -1.028 1.536 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.989 -0.381 -0.133 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.133 -1.938 -0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -11.872 -1.902 0.142 1.00 0.00 H new ATOM 513 N ALA A 44 -12.164 -4.031 1.201 1.00 0.00 N ATOM 514 CA ALA A 44 -13.422 -4.730 1.034 1.00 0.00 C ATOM 515 C ALA A 44 -13.486 -5.974 1.916 1.00 0.00 C ATOM 516 O ALA A 44 -14.555 -6.522 2.148 1.00 0.00 O ATOM 517 CB ALA A 44 -13.617 -5.103 -0.431 1.00 0.00 C ATOM 0 H ALA A 44 -11.558 -4.056 0.381 1.00 0.00 H new ATOM 0 HA ALA A 44 -14.228 -4.064 1.343 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.565 -5.628 -0.550 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.625 -4.198 -1.039 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -12.801 -5.750 -0.754 1.00 0.00 H new ATOM 523 N SER A 45 -12.343 -6.408 2.404 1.00 0.00 N ATOM 524 CA SER A 45 -12.276 -7.585 3.239 1.00 0.00 C ATOM 525 C SER A 45 -12.682 -7.276 4.681 1.00 0.00 C ATOM 526 O SER A 45 -13.449 -8.028 5.286 1.00 0.00 O ATOM 527 CB SER A 45 -10.864 -8.190 3.196 1.00 0.00 C ATOM 528 OG SER A 45 -10.753 -9.321 4.046 1.00 0.00 O ATOM 0 H SER A 45 -11.443 -5.959 2.234 1.00 0.00 H new ATOM 0 HA SER A 45 -12.985 -8.313 2.845 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.622 -8.478 2.173 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.136 -7.436 3.495 1.00 0.00 H new ATOM 0 HG SER A 45 -9.843 -9.682 3.993 1.00 0.00 H new ATOM 534 N ARG A 46 -12.207 -6.156 5.226 1.00 0.00 N ATOM 535 CA ARG A 46 -12.488 -5.857 6.635 1.00 0.00 C ATOM 536 C ARG A 46 -13.695 -4.960 6.768 1.00 0.00 C ATOM 537 O ARG A 46 -14.354 -4.933 7.810 1.00 0.00 O ATOM 538 CB ARG A 46 -11.292 -5.160 7.293 1.00 0.00 C ATOM 539 CG ARG A 46 -9.960 -5.865 7.126 1.00 0.00 C ATOM 540 CD ARG A 46 -9.952 -7.245 7.756 1.00 0.00 C ATOM 541 NE ARG A 46 -8.607 -7.828 7.740 1.00 0.00 N ATOM 542 CZ ARG A 46 -8.321 -9.076 7.365 1.00 0.00 C ATOM 543 NH1 ARG A 46 -9.288 -9.905 6.974 1.00 0.00 N ATOM 544 NH2 ARG A 46 -7.061 -9.496 7.386 1.00 0.00 N ATOM 0 H ARG A 46 -11.645 -5.460 4.736 1.00 0.00 H new ATOM 0 HA ARG A 46 -12.682 -6.807 7.133 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.207 -4.154 6.881 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -11.496 -5.052 8.358 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.729 -5.952 6.064 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.173 -5.259 7.575 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.311 -7.181 8.783 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.640 -7.897 7.218 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.832 -7.235 8.038 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.257 -9.587 6.959 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.059 -10.857 6.689 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -6.318 -8.865 7.688 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.836 -10.449 7.100 1.00 0.00 H new ATOM 558 N ASP A 47 -13.986 -4.236 5.720 1.00 0.00 N ATOM 559 CA ASP A 47 -15.093 -3.308 5.737 1.00 0.00 C ATOM 560 C ASP A 47 -16.202 -3.746 4.798 1.00 0.00 C ATOM 561 O ASP A 47 -17.357 -3.871 5.207 1.00 0.00 O ATOM 562 CB ASP A 47 -14.598 -1.929 5.352 1.00 0.00 C ATOM 563 CG ASP A 47 -15.657 -0.881 5.510 1.00 0.00 C ATOM 564 OD1 ASP A 47 -15.868 -0.409 6.640 1.00 0.00 O ATOM 565 OD2 ASP A 47 -16.287 -0.528 4.507 1.00 0.00 O ATOM 0 H ASP A 47 -13.472 -4.269 4.840 1.00 0.00 H new ATOM 0 HA ASP A 47 -15.506 -3.284 6.745 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.738 -1.669 5.968 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -14.256 -1.944 4.317 1.00 0.00 H new ATOM 570 N LEU A 48 -15.838 -3.950 3.528 1.00 0.00 N ATOM 571 CA LEU A 48 -16.766 -4.396 2.468 1.00 0.00 C ATOM 572 C LEU A 48 -17.668 -3.260 1.968 1.00 0.00 C ATOM 573 O LEU A 48 -18.261 -3.356 0.894 1.00 0.00 O ATOM 574 CB LEU A 48 -17.603 -5.610 2.921 1.00 0.00 C ATOM 575 CG LEU A 48 -18.510 -6.238 1.857 1.00 0.00 C ATOM 576 CD1 LEU A 48 -17.695 -6.740 0.675 1.00 0.00 C ATOM 577 CD2 LEU A 48 -19.326 -7.367 2.456 1.00 0.00 C ATOM 0 H LEU A 48 -14.883 -3.811 3.197 1.00 0.00 H new ATOM 0 HA LEU A 48 -16.149 -4.710 1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -16.922 -6.378 3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -18.223 -5.304 3.763 1.00 0.00 H new ATOM 0 HG LEU A 48 -19.192 -5.468 1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -18.362 -7.181 -0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -17.154 -5.907 0.226 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -16.984 -7.492 1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -19.965 -7.802 1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -18.656 -8.133 2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -19.945 -6.979 3.265 1.00 0.00 H new ATOM 589 N LYS A 49 -17.767 -2.194 2.737 1.00 0.00 N ATOM 590 CA LYS A 49 -18.569 -1.044 2.345 1.00 0.00 C ATOM 591 C LYS A 49 -17.729 -0.103 1.496 1.00 0.00 C ATOM 592 O LYS A 49 -18.244 0.587 0.616 1.00 0.00 O ATOM 593 CB LYS A 49 -19.105 -0.321 3.583 1.00 0.00 C ATOM 594 CG LYS A 49 -19.996 -1.189 4.459 1.00 0.00 C ATOM 595 CD LYS A 49 -20.285 -0.530 5.800 1.00 0.00 C ATOM 596 CE LYS A 49 -19.043 -0.485 6.682 1.00 0.00 C ATOM 597 NZ LYS A 49 -19.324 0.108 8.012 1.00 0.00 N ATOM 0 H LYS A 49 -17.302 -2.097 3.640 1.00 0.00 H new ATOM 0 HA LYS A 49 -19.421 -1.385 1.757 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -18.264 0.037 4.177 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -19.667 0.557 3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -20.935 -1.385 3.941 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -19.515 -2.153 4.624 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -20.653 0.483 5.637 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -21.076 -1.078 6.312 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.654 -1.495 6.811 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.266 0.095 6.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -18.452 0.119 8.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -19.671 1.081 7.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -20.046 -0.459 8.499 1.00 0.00 H new ATOM 611 N ILE A 50 -16.429 -0.085 1.777 1.00 0.00 N ATOM 612 CA ILE A 50 -15.475 0.709 1.015 1.00 0.00 C ATOM 613 C ILE A 50 -15.500 0.302 -0.469 1.00 0.00 C ATOM 614 O ILE A 50 -15.604 -0.887 -0.797 1.00 0.00 O ATOM 615 CB ILE A 50 -14.029 0.566 1.591 1.00 0.00 C ATOM 616 CG1 ILE A 50 -13.986 1.088 3.034 1.00 0.00 C ATOM 617 CG2 ILE A 50 -13.033 1.336 0.728 1.00 0.00 C ATOM 618 CD1 ILE A 50 -12.647 0.905 3.721 1.00 0.00 C ATOM 0 H ILE A 50 -16.010 -0.620 2.538 1.00 0.00 H new ATOM 0 HA ILE A 50 -15.770 1.755 1.099 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.753 -0.489 1.584 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -14.239 2.148 3.033 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.753 0.578 3.616 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -12.031 1.226 1.143 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.050 0.941 -0.288 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -13.305 2.391 0.712 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.702 1.300 4.736 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.399 -0.156 3.757 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -11.877 1.439 3.165 1.00 0.00 H new ATOM 630 N GLU A 51 -15.404 1.287 -1.347 1.00 0.00 N ATOM 631 CA GLU A 51 -15.485 1.050 -2.784 1.00 0.00 C ATOM 632 C GLU A 51 -14.133 1.258 -3.461 1.00 0.00 C ATOM 633 O GLU A 51 -13.181 1.742 -2.842 1.00 0.00 O ATOM 634 CB GLU A 51 -16.526 1.969 -3.416 1.00 0.00 C ATOM 635 CG GLU A 51 -16.193 3.446 -3.299 1.00 0.00 C ATOM 636 CD GLU A 51 -17.191 4.314 -4.014 1.00 0.00 C ATOM 637 OE1 GLU A 51 -17.050 4.502 -5.242 1.00 0.00 O ATOM 638 OE2 GLU A 51 -18.127 4.811 -3.357 1.00 0.00 O ATOM 0 H GLU A 51 -15.269 2.265 -1.090 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.783 0.012 -2.931 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -16.631 1.712 -4.470 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -17.492 1.786 -2.946 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -16.159 3.726 -2.246 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.199 3.626 -3.709 1.00 0.00 H new ATOM 645 N GLN A 52 -14.063 0.899 -4.734 1.00 0.00 N ATOM 646 CA GLN A 52 -12.845 1.049 -5.509 1.00 0.00 C ATOM 647 C GLN A 52 -12.708 2.476 -6.021 1.00 0.00 C ATOM 648 O GLN A 52 -13.312 2.845 -7.027 1.00 0.00 O ATOM 649 CB GLN A 52 -12.829 0.079 -6.691 1.00 0.00 C ATOM 650 CG GLN A 52 -12.926 -1.381 -6.299 1.00 0.00 C ATOM 651 CD GLN A 52 -12.796 -2.308 -7.485 1.00 0.00 C ATOM 652 OE1 GLN A 52 -12.126 -1.988 -8.469 1.00 0.00 O ATOM 653 NE2 GLN A 52 -13.421 -3.461 -7.403 1.00 0.00 N ATOM 0 H GLN A 52 -14.844 0.499 -5.254 1.00 0.00 H new ATOM 0 HA GLN A 52 -12.004 0.822 -4.854 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -13.658 0.321 -7.356 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -11.911 0.231 -7.258 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -12.145 -1.612 -5.574 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -13.882 -1.559 -5.806 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -13.965 -3.688 -6.571 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -13.362 -4.129 -8.171 1.00 0.00 H new ATOM 662 N SER A 53 -11.955 3.281 -5.309 1.00 0.00 N ATOM 663 CA SER A 53 -11.723 4.650 -5.706 1.00 0.00 C ATOM 664 C SER A 53 -10.224 4.929 -5.812 1.00 0.00 C ATOM 665 O SER A 53 -9.444 4.463 -4.977 1.00 0.00 O ATOM 666 CB SER A 53 -12.371 5.606 -4.693 1.00 0.00 C ATOM 667 OG SER A 53 -12.076 6.959 -4.999 1.00 0.00 O ATOM 0 H SER A 53 -11.489 3.008 -4.444 1.00 0.00 H new ATOM 0 HA SER A 53 -12.174 4.812 -6.685 1.00 0.00 H new ATOM 0 HB2 SER A 53 -13.451 5.459 -4.690 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.015 5.372 -3.690 1.00 0.00 H new ATOM 0 HG SER A 53 -12.503 7.544 -4.339 1.00 0.00 H new ATOM 673 N PRO A 54 -9.793 5.681 -6.851 1.00 0.00 N ATOM 674 CA PRO A 54 -8.386 6.070 -7.012 1.00 0.00 C ATOM 675 C PRO A 54 -7.917 6.925 -5.840 1.00 0.00 C ATOM 676 O PRO A 54 -6.738 6.925 -5.483 1.00 0.00 O ATOM 677 CB PRO A 54 -8.378 6.898 -8.305 1.00 0.00 C ATOM 678 CG PRO A 54 -9.628 6.512 -9.018 1.00 0.00 C ATOM 679 CD PRO A 54 -10.631 6.193 -7.949 1.00 0.00 C ATOM 0 HA PRO A 54 -7.720 5.208 -7.049 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -8.360 7.966 -8.089 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.496 6.680 -8.908 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.981 7.323 -9.655 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.459 5.651 -9.664 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.195 7.076 -7.648 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.355 5.451 -8.284 1.00 0.00 H new ATOM 687 N GLU A 55 -8.866 7.632 -5.229 1.00 0.00 N ATOM 688 CA GLU A 55 -8.581 8.479 -4.081 1.00 0.00 C ATOM 689 C GLU A 55 -8.157 7.622 -2.901 1.00 0.00 C ATOM 690 O GLU A 55 -7.310 8.015 -2.099 1.00 0.00 O ATOM 691 CB GLU A 55 -9.813 9.303 -3.713 1.00 0.00 C ATOM 692 CG GLU A 55 -10.386 10.107 -4.870 1.00 0.00 C ATOM 693 CD GLU A 55 -9.355 10.988 -5.527 1.00 0.00 C ATOM 694 OE1 GLU A 55 -9.034 12.055 -4.968 1.00 0.00 O ATOM 695 OE2 GLU A 55 -8.851 10.619 -6.606 1.00 0.00 O ATOM 0 H GLU A 55 -9.845 7.632 -5.516 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.769 9.160 -4.338 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.584 8.634 -3.331 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.553 9.985 -2.903 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.802 9.425 -5.611 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.208 10.724 -4.508 1.00 0.00 H new ATOM 702 N LEU A 56 -8.751 6.440 -2.814 1.00 0.00 N ATOM 703 CA LEU A 56 -8.416 5.485 -1.775 1.00 0.00 C ATOM 704 C LEU A 56 -6.983 5.017 -1.962 1.00 0.00 C ATOM 705 O LEU A 56 -6.205 4.959 -1.011 1.00 0.00 O ATOM 706 CB LEU A 56 -9.368 4.289 -1.842 1.00 0.00 C ATOM 707 CG LEU A 56 -9.098 3.164 -0.845 1.00 0.00 C ATOM 708 CD1 LEU A 56 -9.423 3.608 0.571 1.00 0.00 C ATOM 709 CD2 LEU A 56 -9.887 1.922 -1.220 1.00 0.00 C ATOM 0 H LEU A 56 -9.474 6.120 -3.459 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.516 5.961 -0.800 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.385 4.650 -1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.328 3.873 -2.849 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.037 2.918 -0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -9.223 2.790 1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.805 4.466 0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.475 3.886 0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.683 1.130 -0.499 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.952 2.152 -1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.593 1.591 -2.216 1.00 0.00 H new ATOM 721 N SER A 57 -6.641 4.720 -3.209 1.00 0.00 N ATOM 722 CA SER A 57 -5.310 4.262 -3.564 1.00 0.00 C ATOM 723 C SER A 57 -4.282 5.331 -3.176 1.00 0.00 C ATOM 724 O SER A 57 -3.307 5.052 -2.473 1.00 0.00 O ATOM 725 CB SER A 57 -5.249 3.966 -5.072 1.00 0.00 C ATOM 726 OG SER A 57 -4.001 3.426 -5.450 1.00 0.00 O ATOM 0 H SER A 57 -7.280 4.791 -4.000 1.00 0.00 H new ATOM 0 HA SER A 57 -5.079 3.344 -3.024 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.043 3.268 -5.338 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.432 4.884 -5.630 1.00 0.00 H new ATOM 0 HG SER A 57 -4.000 3.249 -6.414 1.00 0.00 H new ATOM 732 N ALA A 58 -4.518 6.547 -3.657 1.00 0.00 N ATOM 733 CA ALA A 58 -3.689 7.706 -3.325 1.00 0.00 C ATOM 734 C ALA A 58 -3.379 7.789 -1.823 1.00 0.00 C ATOM 735 O ALA A 58 -2.245 8.060 -1.435 1.00 0.00 O ATOM 736 CB ALA A 58 -4.360 8.987 -3.796 1.00 0.00 C ATOM 0 H ALA A 58 -5.290 6.760 -4.289 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.739 7.583 -3.845 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.732 9.841 -3.542 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.501 8.948 -4.876 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.329 9.091 -3.307 1.00 0.00 H new ATOM 742 N LYS A 59 -4.381 7.534 -0.985 1.00 0.00 N ATOM 743 CA LYS A 59 -4.196 7.622 0.465 1.00 0.00 C ATOM 744 C LYS A 59 -3.469 6.402 1.043 1.00 0.00 C ATOM 745 O LYS A 59 -2.589 6.549 1.898 1.00 0.00 O ATOM 746 CB LYS A 59 -5.533 7.824 1.181 1.00 0.00 C ATOM 747 CG LYS A 59 -6.200 9.161 0.883 1.00 0.00 C ATOM 748 CD LYS A 59 -7.442 9.377 1.741 1.00 0.00 C ATOM 749 CE LYS A 59 -7.093 9.454 3.227 1.00 0.00 C ATOM 750 NZ LYS A 59 -8.279 9.754 4.062 1.00 0.00 N ATOM 0 H LYS A 59 -5.321 7.267 -1.279 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.563 8.492 0.640 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.211 7.020 0.896 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.374 7.741 2.256 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.490 9.969 1.061 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.474 9.204 -0.171 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -7.940 10.297 1.436 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.147 8.562 1.574 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.655 8.508 3.546 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.337 10.223 3.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.997 9.797 5.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.682 10.669 3.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.991 9.007 3.935 1.00 0.00 H new ATOM 764 N VAL A 60 -3.840 5.203 0.591 1.00 0.00 N ATOM 765 CA VAL A 60 -3.228 3.971 1.117 1.00 0.00 C ATOM 766 C VAL A 60 -1.727 3.876 0.820 1.00 0.00 C ATOM 767 O VAL A 60 -1.014 3.161 1.501 1.00 0.00 O ATOM 768 CB VAL A 60 -3.939 2.669 0.655 1.00 0.00 C ATOM 769 CG1 VAL A 60 -5.419 2.703 0.998 1.00 0.00 C ATOM 770 CG2 VAL A 60 -3.725 2.413 -0.826 1.00 0.00 C ATOM 0 H VAL A 60 -4.549 5.054 -0.127 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.363 4.052 2.196 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.488 1.838 1.198 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.891 1.779 0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.540 2.802 2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.888 3.552 0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.236 1.494 -1.114 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.126 3.247 -1.401 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.658 2.313 -1.028 1.00 0.00 H new ATOM 780 N VAL A 61 -1.250 4.612 -0.185 1.00 0.00 N ATOM 781 CA VAL A 61 0.181 4.611 -0.499 1.00 0.00 C ATOM 782 C VAL A 61 0.875 5.756 0.253 1.00 0.00 C ATOM 783 O VAL A 61 2.063 5.681 0.581 1.00 0.00 O ATOM 784 CB VAL A 61 0.462 4.708 -2.029 1.00 0.00 C ATOM 785 CG1 VAL A 61 0.002 6.039 -2.601 1.00 0.00 C ATOM 786 CG2 VAL A 61 1.944 4.462 -2.328 1.00 0.00 C ATOM 0 H VAL A 61 -1.821 5.206 -0.786 1.00 0.00 H new ATOM 0 HA VAL A 61 0.588 3.655 -0.171 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.118 3.927 -2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.215 6.069 -3.670 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.070 6.153 -2.441 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.531 6.851 -2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.115 4.535 -3.402 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.548 5.209 -1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.225 3.467 -1.982 1.00 0.00 H new ATOM 796 N GLU A 62 0.101 6.798 0.540 1.00 0.00 N ATOM 797 CA GLU A 62 0.589 7.938 1.304 1.00 0.00 C ATOM 798 C GLU A 62 0.946 7.509 2.710 1.00 0.00 C ATOM 799 O GLU A 62 2.100 7.618 3.131 1.00 0.00 O ATOM 800 CB GLU A 62 -0.451 9.058 1.354 1.00 0.00 C ATOM 801 CG GLU A 62 -0.411 9.986 0.161 1.00 0.00 C ATOM 802 CD GLU A 62 0.908 10.713 0.052 1.00 0.00 C ATOM 803 OE1 GLU A 62 1.117 11.689 0.807 1.00 0.00 O ATOM 804 OE2 GLU A 62 1.749 10.316 -0.780 1.00 0.00 O ATOM 0 H GLU A 62 -0.874 6.875 0.252 1.00 0.00 H new ATOM 0 HA GLU A 62 1.479 8.319 0.804 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.444 8.615 1.424 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.298 9.642 2.261 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.585 9.413 -0.750 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -1.220 10.713 0.240 1.00 0.00 H new ATOM 811 N LYS A 63 -0.047 6.998 3.428 1.00 0.00 N ATOM 812 CA LYS A 63 0.151 6.542 4.796 1.00 0.00 C ATOM 813 C LYS A 63 1.157 5.407 4.836 1.00 0.00 C ATOM 814 O LYS A 63 1.955 5.309 5.764 1.00 0.00 O ATOM 815 CB LYS A 63 -1.173 6.098 5.417 1.00 0.00 C ATOM 816 CG LYS A 63 -2.197 7.212 5.538 1.00 0.00 C ATOM 817 CD LYS A 63 -3.480 6.723 6.186 1.00 0.00 C ATOM 818 CE LYS A 63 -4.494 7.846 6.330 1.00 0.00 C ATOM 819 NZ LYS A 63 -3.984 8.955 7.175 1.00 0.00 N ATOM 0 H LYS A 63 -1.001 6.889 3.083 1.00 0.00 H new ATOM 0 HA LYS A 63 0.541 7.376 5.379 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.595 5.294 4.814 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.979 5.686 6.407 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.779 8.029 6.127 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.418 7.613 4.549 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.908 5.919 5.587 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.257 6.305 7.167 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.750 8.231 5.343 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.412 7.451 6.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.775 9.569 7.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.530 8.563 8.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.289 9.511 6.636 1.00 0.00 H new ATOM 833 N LEU A 64 1.114 4.565 3.804 1.00 0.00 N ATOM 834 CA LEU A 64 2.014 3.428 3.654 1.00 0.00 C ATOM 835 C LEU A 64 3.470 3.831 3.884 1.00 0.00 C ATOM 836 O LEU A 64 4.142 3.300 4.773 1.00 0.00 O ATOM 837 CB LEU A 64 1.810 2.835 2.243 1.00 0.00 C ATOM 838 CG LEU A 64 2.832 1.822 1.725 1.00 0.00 C ATOM 839 CD1 LEU A 64 2.118 0.687 1.007 1.00 0.00 C ATOM 840 CD2 LEU A 64 3.804 2.498 0.764 1.00 0.00 C ATOM 0 H LEU A 64 0.444 4.657 3.041 1.00 0.00 H new ATOM 0 HA LEU A 64 1.782 2.675 4.408 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.830 2.358 2.222 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.777 3.664 1.536 1.00 0.00 H new ATOM 0 HG LEU A 64 3.388 1.423 2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.852 -0.031 0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.438 0.190 1.699 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.551 1.088 0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.526 1.766 0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.252 2.911 -0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.329 3.301 1.282 1.00 0.00 H new ATOM 852 N ASN A 65 3.951 4.766 3.079 1.00 0.00 N ATOM 853 CA ASN A 65 5.324 5.237 3.186 1.00 0.00 C ATOM 854 C ASN A 65 5.631 5.773 4.571 1.00 0.00 C ATOM 855 O ASN A 65 6.685 5.524 5.100 1.00 0.00 O ATOM 856 CB ASN A 65 5.607 6.300 2.134 1.00 0.00 C ATOM 857 CG ASN A 65 7.053 6.774 2.145 1.00 0.00 C ATOM 858 OD1 ASN A 65 7.973 6.011 2.454 1.00 0.00 O ATOM 859 ND2 ASN A 65 7.261 8.033 1.807 1.00 0.00 N ATOM 0 H ASN A 65 3.408 5.215 2.341 1.00 0.00 H new ATOM 0 HA ASN A 65 5.976 4.381 3.011 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.368 5.901 1.148 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.949 7.153 2.300 1.00 0.00 H new ATOM 0 HD21 ASN A 65 8.210 8.408 1.795 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.473 8.631 1.558 1.00 0.00 H new ATOM 866 N GLN A 66 4.679 6.470 5.161 1.00 0.00 N ATOM 867 CA GLN A 66 4.866 7.075 6.482 1.00 0.00 C ATOM 868 C GLN A 66 5.057 6.017 7.558 1.00 0.00 C ATOM 869 O GLN A 66 5.981 6.100 8.376 1.00 0.00 O ATOM 870 CB GLN A 66 3.679 7.958 6.816 1.00 0.00 C ATOM 871 CG GLN A 66 3.556 9.134 5.886 1.00 0.00 C ATOM 872 CD GLN A 66 2.131 9.624 5.735 1.00 0.00 C ATOM 873 OE1 GLN A 66 1.321 9.545 6.663 1.00 0.00 O ATOM 874 NE2 GLN A 66 1.809 10.111 4.561 1.00 0.00 N ATOM 0 H GLN A 66 3.760 6.636 4.750 1.00 0.00 H new ATOM 0 HA GLN A 66 5.771 7.682 6.452 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.765 7.366 6.770 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.775 8.318 7.841 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.177 9.949 6.257 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.945 8.857 4.906 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.508 10.159 3.820 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.860 10.442 4.389 1.00 0.00 H new ATOM 883 N VAL A 67 4.173 5.040 7.572 1.00 0.00 N ATOM 884 CA VAL A 67 4.262 3.942 8.528 1.00 0.00 C ATOM 885 C VAL A 67 5.626 3.250 8.435 1.00 0.00 C ATOM 886 O VAL A 67 6.316 3.078 9.440 1.00 0.00 O ATOM 887 CB VAL A 67 3.141 2.897 8.312 1.00 0.00 C ATOM 888 CG1 VAL A 67 3.162 1.850 9.411 1.00 0.00 C ATOM 889 CG2 VAL A 67 1.777 3.566 8.252 1.00 0.00 C ATOM 0 H VAL A 67 3.381 4.979 6.932 1.00 0.00 H new ATOM 0 HA VAL A 67 4.140 4.376 9.521 1.00 0.00 H new ATOM 0 HB VAL A 67 3.325 2.404 7.357 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.366 1.126 9.239 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.125 1.338 9.408 1.00 0.00 H new ATOM 0 HG13 VAL A 67 3.011 2.333 10.376 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.007 2.810 8.100 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.588 4.092 9.188 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.756 4.276 7.426 1.00 0.00 H new ATOM 899 N CYS A 68 6.030 2.936 7.221 1.00 0.00 N ATOM 900 CA CYS A 68 7.282 2.222 6.981 1.00 0.00 C ATOM 901 C CYS A 68 8.483 3.169 6.962 1.00 0.00 C ATOM 902 O CYS A 68 9.628 2.731 6.908 1.00 0.00 O ATOM 903 CB CYS A 68 7.196 1.465 5.679 1.00 0.00 C ATOM 904 SG CYS A 68 5.682 0.468 5.523 1.00 0.00 S ATOM 0 H CYS A 68 5.509 3.163 6.374 1.00 0.00 H new ATOM 0 HA CYS A 68 7.431 1.522 7.803 1.00 0.00 H new ATOM 0 HB2 CYS A 68 7.243 2.173 4.852 1.00 0.00 H new ATOM 0 HB3 CYS A 68 8.064 0.811 5.589 1.00 0.00 H new ATOM 909 N ALA A 69 8.216 4.465 7.009 1.00 0.00 N ATOM 910 CA ALA A 69 9.285 5.459 7.051 1.00 0.00 C ATOM 911 C ALA A 69 9.847 5.506 8.442 1.00 0.00 C ATOM 912 O ALA A 69 11.004 5.863 8.658 1.00 0.00 O ATOM 913 CB ALA A 69 8.782 6.837 6.646 1.00 0.00 C ATOM 0 H ALA A 69 7.274 4.855 7.019 1.00 0.00 H new ATOM 0 HA ALA A 69 10.059 5.171 6.340 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.604 7.551 6.689 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.389 6.797 5.630 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.992 7.151 7.329 1.00 0.00 H new ATOM 919 N LYS A 70 9.013 5.131 9.388 1.00 0.00 N ATOM 920 CA LYS A 70 9.414 5.082 10.777 1.00 0.00 C ATOM 921 C LYS A 70 9.973 3.708 11.117 1.00 0.00 C ATOM 922 O LYS A 70 10.760 3.567 12.052 1.00 0.00 O ATOM 923 CB LYS A 70 8.236 5.399 11.693 1.00 0.00 C ATOM 924 CG LYS A 70 7.547 6.719 11.383 1.00 0.00 C ATOM 925 CD LYS A 70 6.457 7.036 12.396 1.00 0.00 C ATOM 926 CE LYS A 70 5.465 5.892 12.537 1.00 0.00 C ATOM 927 NZ LYS A 70 4.847 5.532 11.240 1.00 0.00 N ATOM 0 H LYS A 70 8.046 4.854 9.218 1.00 0.00 H new ATOM 0 HA LYS A 70 10.189 5.833 10.932 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.505 4.594 11.619 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.587 5.418 12.725 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.284 7.522 11.378 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.114 6.678 10.383 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.911 7.244 13.365 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.929 7.939 12.091 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.972 5.021 12.951 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.685 6.173 13.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.060 4.871 11.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.488 6.391 10.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.558 5.081 10.630 1.00 0.00 H new ATOM 941 N ASP A 71 9.582 2.695 10.343 1.00 0.00 N ATOM 942 CA ASP A 71 10.021 1.326 10.592 1.00 0.00 C ATOM 943 C ASP A 71 10.262 0.593 9.279 1.00 0.00 C ATOM 944 O ASP A 71 9.314 0.183 8.609 1.00 0.00 O ATOM 945 CB ASP A 71 8.983 0.554 11.421 1.00 0.00 C ATOM 946 CG ASP A 71 8.883 1.037 12.852 1.00 0.00 C ATOM 947 OD1 ASP A 71 9.641 0.532 13.711 1.00 0.00 O ATOM 948 OD2 ASP A 71 8.042 1.913 13.131 1.00 0.00 O ATOM 0 H ASP A 71 8.962 2.799 9.539 1.00 0.00 H new ATOM 0 HA ASP A 71 10.953 1.378 11.154 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.007 0.645 10.945 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.241 -0.505 11.419 1.00 0.00 H new ATOM 953 N PRO A 72 11.539 0.420 8.887 1.00 0.00 N ATOM 954 CA PRO A 72 11.904 -0.279 7.643 1.00 0.00 C ATOM 955 C PRO A 72 11.538 -1.766 7.680 1.00 0.00 C ATOM 956 O PRO A 72 11.568 -2.447 6.660 1.00 0.00 O ATOM 957 CB PRO A 72 13.433 -0.110 7.562 1.00 0.00 C ATOM 958 CG PRO A 72 13.757 0.987 8.522 1.00 0.00 C ATOM 959 CD PRO A 72 12.724 0.905 9.605 1.00 0.00 C ATOM 0 HA PRO A 72 11.371 0.128 6.783 1.00 0.00 H new ATOM 0 HB2 PRO A 72 13.946 -1.033 7.831 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.748 0.146 6.550 1.00 0.00 H new ATOM 0 HG2 PRO A 72 14.761 0.865 8.930 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.729 1.959 8.029 1.00 0.00 H new ATOM 0 HD2 PRO A 72 13.024 0.221 10.399 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.547 1.875 10.069 1.00 0.00 H new ATOM 967 N GLN A 73 11.207 -2.259 8.872 1.00 0.00 N ATOM 968 CA GLN A 73 10.816 -3.657 9.064 1.00 0.00 C ATOM 969 C GLN A 73 9.478 -3.974 8.395 1.00 0.00 C ATOM 970 O GLN A 73 9.101 -5.138 8.270 1.00 0.00 O ATOM 971 CB GLN A 73 10.708 -3.978 10.558 1.00 0.00 C ATOM 972 CG GLN A 73 11.989 -3.773 11.341 1.00 0.00 C ATOM 973 CD GLN A 73 11.828 -4.125 12.806 1.00 0.00 C ATOM 974 OE1 GLN A 73 12.038 -5.267 13.208 1.00 0.00 O ATOM 975 NE2 GLN A 73 11.458 -3.149 13.611 1.00 0.00 N ATOM 0 H GLN A 73 11.202 -1.705 9.729 1.00 0.00 H new ATOM 0 HA GLN A 73 11.589 -4.270 8.601 1.00 0.00 H new ATOM 0 HB2 GLN A 73 9.927 -3.355 10.995 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.390 -5.014 10.672 1.00 0.00 H new ATOM 0 HG2 GLN A 73 12.780 -4.385 10.907 1.00 0.00 H new ATOM 0 HG3 GLN A 73 12.305 -2.734 11.252 1.00 0.00 H new ATOM 0 HE21 GLN A 73 11.294 -2.214 13.237 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.336 -3.328 14.608 1.00 0.00 H new ATOM 984 N MET A 74 8.767 -2.951 7.963 1.00 0.00 N ATOM 985 CA MET A 74 7.453 -3.143 7.383 1.00 0.00 C ATOM 986 C MET A 74 7.510 -3.241 5.863 1.00 0.00 C ATOM 987 O MET A 74 8.143 -2.422 5.188 1.00 0.00 O ATOM 988 CB MET A 74 6.509 -2.033 7.824 1.00 0.00 C ATOM 989 CG MET A 74 6.312 -1.987 9.330 1.00 0.00 C ATOM 990 SD MET A 74 5.198 -0.681 9.850 1.00 0.00 S ATOM 991 CE MET A 74 5.221 -0.913 11.625 1.00 0.00 C ATOM 0 H MET A 74 9.077 -1.980 8.003 1.00 0.00 H new ATOM 0 HA MET A 74 7.066 -4.094 7.750 1.00 0.00 H new ATOM 0 HB2 MET A 74 6.900 -1.074 7.485 1.00 0.00 H new ATOM 0 HB3 MET A 74 5.542 -2.172 7.340 1.00 0.00 H new ATOM 0 HG2 MET A 74 5.922 -2.947 9.670 1.00 0.00 H new ATOM 0 HG3 MET A 74 7.279 -1.847 9.813 1.00 0.00 H new ATOM 0 HE1 MET A 74 4.574 -0.174 12.097 1.00 0.00 H new ATOM 0 HE2 MET A 74 4.864 -1.914 11.866 1.00 0.00 H new ATOM 0 HE3 MET A 74 6.239 -0.792 11.995 1.00 0.00 H new ATOM 1001 N LEU A 75 6.845 -4.256 5.341 1.00 0.00 N ATOM 1002 CA LEU A 75 6.805 -4.521 3.912 1.00 0.00 C ATOM 1003 C LEU A 75 5.660 -3.760 3.264 1.00 0.00 C ATOM 1004 O LEU A 75 4.752 -3.282 3.955 1.00 0.00 O ATOM 1005 CB LEU A 75 6.636 -6.022 3.681 1.00 0.00 C ATOM 1006 CG LEU A 75 7.652 -6.915 4.400 1.00 0.00 C ATOM 1007 CD1 LEU A 75 7.250 -8.375 4.302 1.00 0.00 C ATOM 1008 CD2 LEU A 75 9.048 -6.705 3.829 1.00 0.00 C ATOM 0 H LEU A 75 6.314 -4.924 5.899 1.00 0.00 H new ATOM 0 HA LEU A 75 7.739 -4.187 3.460 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.634 -6.311 3.999 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.699 -6.217 2.611 1.00 0.00 H new ATOM 0 HG LEU A 75 7.665 -6.635 5.453 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.986 -8.991 4.819 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.272 -8.515 4.762 1.00 0.00 H new ATOM 0 HD13 LEU A 75 7.203 -8.670 3.254 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.756 -7.348 4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.048 -6.954 2.768 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.341 -5.663 3.958 1.00 0.00 H new ATOM 1020 N LEU A 76 5.700 -3.665 1.940 1.00 0.00 N ATOM 1021 CA LEU A 76 4.689 -2.937 1.173 1.00 0.00 C ATOM 1022 C LEU A 76 3.279 -3.452 1.496 1.00 0.00 C ATOM 1023 O LEU A 76 2.375 -2.670 1.799 1.00 0.00 O ATOM 1024 CB LEU A 76 4.994 -3.069 -0.338 1.00 0.00 C ATOM 1025 CG LEU A 76 4.267 -2.095 -1.290 1.00 0.00 C ATOM 1026 CD1 LEU A 76 4.957 -2.071 -2.641 1.00 0.00 C ATOM 1027 CD2 LEU A 76 2.811 -2.486 -1.475 1.00 0.00 C ATOM 0 H LEU A 76 6.430 -4.088 1.367 1.00 0.00 H new ATOM 0 HA LEU A 76 4.724 -1.884 1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 76 6.067 -2.942 -0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.751 -4.086 -0.645 1.00 0.00 H new ATOM 0 HG LEU A 76 4.304 -1.103 -0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.435 -1.381 -3.304 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.989 -1.744 -2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.943 -3.071 -3.075 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.328 -1.780 -2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.755 -3.489 -1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.304 -2.469 -0.510 1.00 0.00 H new ATOM 1039 N ILE A 77 3.109 -4.768 1.445 1.00 0.00 N ATOM 1040 CA ILE A 77 1.818 -5.387 1.724 1.00 0.00 C ATOM 1041 C ILE A 77 1.384 -5.128 3.167 1.00 0.00 C ATOM 1042 O ILE A 77 0.210 -4.851 3.432 1.00 0.00 O ATOM 1043 CB ILE A 77 1.855 -6.915 1.452 1.00 0.00 C ATOM 1044 CG1 ILE A 77 2.204 -7.189 -0.020 1.00 0.00 C ATOM 1045 CG2 ILE A 77 0.529 -7.575 1.822 1.00 0.00 C ATOM 1046 CD1 ILE A 77 1.230 -6.585 -1.015 1.00 0.00 C ATOM 0 H ILE A 77 3.851 -5.429 1.213 1.00 0.00 H new ATOM 0 HA ILE A 77 1.090 -4.932 1.052 1.00 0.00 H new ATOM 0 HB ILE A 77 2.631 -7.351 2.082 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.202 -6.800 -0.223 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.244 -8.267 -0.177 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.586 -8.645 1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.326 -7.416 2.881 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.274 -7.136 1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.550 -6.825 -2.029 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.234 -6.993 -0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.206 -5.503 -0.889 1.00 0.00 H new ATOM 1058 N THR A 78 2.342 -5.196 4.087 1.00 0.00 N ATOM 1059 CA THR A 78 2.084 -4.963 5.500 1.00 0.00 C ATOM 1060 C THR A 78 1.472 -3.576 5.710 1.00 0.00 C ATOM 1061 O THR A 78 0.443 -3.431 6.375 1.00 0.00 O ATOM 1062 CB THR A 78 3.390 -5.063 6.307 1.00 0.00 C ATOM 1063 OG1 THR A 78 4.146 -6.198 5.858 1.00 0.00 O ATOM 1064 CG2 THR A 78 3.099 -5.200 7.795 1.00 0.00 C ATOM 0 H THR A 78 3.315 -5.414 3.873 1.00 0.00 H new ATOM 0 HA THR A 78 1.384 -5.724 5.846 1.00 0.00 H new ATOM 0 HB THR A 78 3.965 -4.150 6.150 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.895 -6.355 6.470 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.038 -5.269 8.344 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.541 -4.329 8.138 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.510 -6.100 7.969 1.00 0.00 H new ATOM 1072 N ALA A 79 2.123 -2.566 5.141 1.00 0.00 N ATOM 1073 CA ALA A 79 1.644 -1.193 5.225 1.00 0.00 C ATOM 1074 C ALA A 79 0.208 -1.066 4.729 1.00 0.00 C ATOM 1075 O ALA A 79 -0.631 -0.469 5.404 1.00 0.00 O ATOM 1076 CB ALA A 79 2.548 -0.275 4.448 1.00 0.00 C ATOM 0 H ALA A 79 2.989 -2.676 4.614 1.00 0.00 H new ATOM 0 HA ALA A 79 1.658 -0.902 6.275 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.177 0.747 4.520 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.557 -0.325 4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.566 -0.582 3.402 1.00 0.00 H new ATOM 1082 N ILE A 80 -0.072 -1.623 3.544 1.00 0.00 N ATOM 1083 CA ILE A 80 -1.427 -1.592 2.990 1.00 0.00 C ATOM 1084 C ILE A 80 -2.411 -2.192 3.981 1.00 0.00 C ATOM 1085 O ILE A 80 -3.442 -1.593 4.286 1.00 0.00 O ATOM 1086 CB ILE A 80 -1.532 -2.384 1.661 1.00 0.00 C ATOM 1087 CG1 ILE A 80 -0.555 -1.838 0.620 1.00 0.00 C ATOM 1088 CG2 ILE A 80 -2.962 -2.334 1.123 1.00 0.00 C ATOM 1089 CD1 ILE A 80 -0.584 -2.600 -0.688 1.00 0.00 C ATOM 0 H ILE A 80 0.615 -2.096 2.957 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.664 -0.546 2.794 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.269 -3.422 1.864 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.788 -0.791 0.427 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.455 -1.870 1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.019 -2.894 0.190 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.641 -2.774 1.853 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.247 -1.298 0.942 1.00 0.00 H new ATOM 0 HD11 ILE A 80 0.133 -2.160 -1.381 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.322 -3.642 -0.508 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.584 -2.547 -1.118 1.00 0.00 H new ATOM 1101 N ASP A 81 -2.062 -3.365 4.498 1.00 0.00 N ATOM 1102 CA ASP A 81 -2.906 -4.090 5.444 1.00 0.00 C ATOM 1103 C ASP A 81 -3.237 -3.231 6.658 1.00 0.00 C ATOM 1104 O ASP A 81 -4.393 -3.092 7.022 1.00 0.00 O ATOM 1105 CB ASP A 81 -2.209 -5.380 5.898 1.00 0.00 C ATOM 1106 CG ASP A 81 -3.101 -6.277 6.743 1.00 0.00 C ATOM 1107 OD1 ASP A 81 -3.324 -5.965 7.932 1.00 0.00 O ATOM 1108 OD2 ASP A 81 -3.574 -7.308 6.224 1.00 0.00 O ATOM 0 H ASP A 81 -1.188 -3.840 4.274 1.00 0.00 H new ATOM 0 HA ASP A 81 -3.837 -4.341 4.936 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.875 -5.933 5.020 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.318 -5.122 6.470 1.00 0.00 H new ATOM 1113 N ASP A 82 -2.218 -2.624 7.251 1.00 0.00 N ATOM 1114 CA ASP A 82 -2.406 -1.827 8.466 1.00 0.00 C ATOM 1115 C ASP A 82 -3.095 -0.484 8.179 1.00 0.00 C ATOM 1116 O ASP A 82 -3.801 0.059 9.033 1.00 0.00 O ATOM 1117 CB ASP A 82 -1.073 -1.593 9.172 1.00 0.00 C ATOM 1118 CG ASP A 82 -1.257 -1.070 10.581 1.00 0.00 C ATOM 1119 OD1 ASP A 82 -1.339 0.159 10.763 1.00 0.00 O ATOM 1120 OD2 ASP A 82 -1.324 -1.895 11.519 1.00 0.00 O ATOM 0 H ASP A 82 -1.255 -2.665 6.916 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.061 -2.400 9.122 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.511 -2.527 9.203 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.479 -0.883 8.597 1.00 0.00 H new ATOM 1125 N THR A 83 -2.907 0.036 6.981 1.00 0.00 N ATOM 1126 CA THR A 83 -3.508 1.296 6.597 1.00 0.00 C ATOM 1127 C THR A 83 -4.988 1.096 6.324 1.00 0.00 C ATOM 1128 O THR A 83 -5.832 1.884 6.767 1.00 0.00 O ATOM 1129 CB THR A 83 -2.818 1.890 5.350 1.00 0.00 C ATOM 1130 OG1 THR A 83 -1.425 2.086 5.621 1.00 0.00 O ATOM 1131 CG2 THR A 83 -3.448 3.217 4.958 1.00 0.00 C ATOM 0 H THR A 83 -2.339 -0.399 6.254 1.00 0.00 H new ATOM 0 HA THR A 83 -3.379 1.999 7.420 1.00 0.00 H new ATOM 0 HB THR A 83 -2.942 1.191 4.523 1.00 0.00 H new ATOM 0 HG1 THR A 83 -0.952 1.232 5.537 1.00 0.00 H new ATOM 0 HG21 THR A 83 -2.943 3.613 4.077 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.504 3.066 4.734 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.349 3.924 5.782 1.00 0.00 H new ATOM 1139 N MET A 84 -5.303 0.016 5.622 1.00 0.00 N ATOM 1140 CA MET A 84 -6.679 -0.314 5.334 1.00 0.00 C ATOM 1141 C MET A 84 -7.340 -0.826 6.607 1.00 0.00 C ATOM 1142 O MET A 84 -8.539 -0.784 6.748 1.00 0.00 O ATOM 1143 CB MET A 84 -6.772 -1.348 4.194 1.00 0.00 C ATOM 1144 CG MET A 84 -6.378 -2.761 4.576 1.00 0.00 C ATOM 1145 SD MET A 84 -7.723 -3.669 5.357 1.00 0.00 S ATOM 1146 CE MET A 84 -6.872 -5.148 5.857 1.00 0.00 C ATOM 0 H MET A 84 -4.620 -0.641 5.245 1.00 0.00 H new ATOM 0 HA MET A 84 -7.205 0.578 4.995 1.00 0.00 H new ATOM 0 HB2 MET A 84 -7.795 -1.361 3.819 1.00 0.00 H new ATOM 0 HB3 MET A 84 -6.135 -1.019 3.373 1.00 0.00 H new ATOM 0 HG2 MET A 84 -6.053 -3.297 3.684 1.00 0.00 H new ATOM 0 HG3 MET A 84 -5.526 -2.726 5.255 1.00 0.00 H new ATOM 0 HE1 MET A 84 -7.485 -6.018 5.620 1.00 0.00 H new ATOM 0 HE2 MET A 84 -5.922 -5.218 5.327 1.00 0.00 H new ATOM 0 HE3 MET A 84 -6.687 -5.116 6.931 1.00 0.00 H new ATOM 1156 N ARG A 85 -6.513 -1.313 7.523 1.00 0.00 N ATOM 1157 CA ARG A 85 -6.948 -1.771 8.837 1.00 0.00 C ATOM 1158 C ARG A 85 -7.531 -0.605 9.628 1.00 0.00 C ATOM 1159 O ARG A 85 -8.580 -0.731 10.268 1.00 0.00 O ATOM 1160 CB ARG A 85 -5.729 -2.345 9.565 1.00 0.00 C ATOM 1161 CG ARG A 85 -5.935 -2.784 10.999 1.00 0.00 C ATOM 1162 CD ARG A 85 -4.592 -3.151 11.617 1.00 0.00 C ATOM 1163 NE ARG A 85 -4.704 -3.669 12.979 1.00 0.00 N ATOM 1164 CZ ARG A 85 -3.657 -3.838 13.799 1.00 0.00 C ATOM 1165 NH1 ARG A 85 -2.448 -3.430 13.434 1.00 0.00 N ATOM 1166 NH2 ARG A 85 -3.826 -4.390 14.995 1.00 0.00 N ATOM 0 H ARG A 85 -5.508 -1.402 7.373 1.00 0.00 H new ATOM 0 HA ARG A 85 -7.720 -2.534 8.736 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.366 -3.201 8.996 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.939 -1.594 9.550 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.404 -1.984 11.571 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.610 -3.639 11.035 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -4.104 -3.898 10.991 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -3.950 -2.270 11.622 1.00 0.00 H new ATOM 0 HE ARG A 85 -5.631 -3.916 13.325 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -2.312 -2.986 12.526 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.655 -3.561 14.061 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.755 -4.687 15.293 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.027 -4.517 15.616 1.00 0.00 H new ATOM 1180 N ALA A 86 -6.846 0.531 9.565 1.00 0.00 N ATOM 1181 CA ALA A 86 -7.264 1.733 10.265 1.00 0.00 C ATOM 1182 C ALA A 86 -8.568 2.281 9.707 1.00 0.00 C ATOM 1183 O ALA A 86 -9.491 2.596 10.463 1.00 0.00 O ATOM 1184 CB ALA A 86 -6.174 2.790 10.193 1.00 0.00 C ATOM 0 H ALA A 86 -5.987 0.642 9.027 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.435 1.467 11.308 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.500 3.686 10.722 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.264 2.407 10.656 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.975 3.037 9.150 1.00 0.00 H new ATOM 1190 N ILE A 87 -8.660 2.377 8.384 1.00 0.00 N ATOM 1191 CA ILE A 87 -9.864 2.928 7.748 1.00 0.00 C ATOM 1192 C ILE A 87 -10.910 1.844 7.502 1.00 0.00 C ATOM 1193 O ILE A 87 -12.041 2.127 7.101 1.00 0.00 O ATOM 1194 CB ILE A 87 -9.530 3.640 6.416 1.00 0.00 C ATOM 1195 CG1 ILE A 87 -8.838 2.672 5.448 1.00 0.00 C ATOM 1196 CG2 ILE A 87 -8.660 4.864 6.676 1.00 0.00 C ATOM 1197 CD1 ILE A 87 -8.525 3.275 4.096 1.00 0.00 C ATOM 0 H ILE A 87 -7.929 2.086 7.734 1.00 0.00 H new ATOM 0 HA ILE A 87 -10.276 3.662 8.440 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.460 3.972 5.954 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.911 2.321 5.902 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -9.474 1.798 5.307 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.432 5.356 5.730 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.193 5.557 7.327 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -7.732 4.555 7.157 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.037 2.529 3.469 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -9.450 3.600 3.620 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.862 4.131 4.224 1.00 0.00 H new ATOM 1209 N GLY A 88 -10.525 0.614 7.759 1.00 0.00 N ATOM 1210 CA GLY A 88 -11.408 -0.518 7.576 1.00 0.00 C ATOM 1211 C GLY A 88 -12.093 -0.891 8.859 1.00 0.00 C ATOM 1212 O GLY A 88 -12.786 -1.901 8.936 1.00 0.00 O ATOM 0 H GLY A 88 -9.595 0.370 8.099 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.155 -0.280 6.819 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -10.838 -1.370 7.205 1.00 0.00 H new