USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 623 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 50 MET CE :methyl 176:sc= -2.79 (180deg=-2.95) USER MOD Set 1.2: A 54 SER OG : rot -170:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 5 TYR OH : rot 76:sc= 0.793 USER MOD Single : A 8 ASN : amide:sc= 0.00723 X(o=0.0072,f=-0.009) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 103:sc= 0.0334 USER MOD Single : A 15 SER OG : rot -120:sc= -1.35! USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ -158:sc= -0.0609 (180deg=-0.356) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.0601 K(o=-0.06,f=-1.1) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.117 K(o=-0.12,f=-2.1) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00895 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 170:sc= -0.0612 (180deg=-0.26) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.514 X(o=-0.51,f=-0.052) USER MOD Single : A 56 SER OG : rot 84:sc= 0.0552 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.055) USER MOD Single : A 65 THR OG1 : rot 180:sc=-0.00307 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 52:sc= 1.17 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.321 5.820 -14.251 1.00 0.00 N ATOM 2 CA MET A 1 2.716 4.442 -13.862 1.00 0.00 C ATOM 3 C MET A 1 3.868 4.461 -12.861 1.00 0.00 C ATOM 4 O MET A 1 4.897 3.817 -13.070 1.00 0.00 O ATOM 5 CB MET A 1 3.122 3.677 -15.124 1.00 0.00 C ATOM 6 CG MET A 1 3.367 2.197 -14.885 1.00 0.00 C ATOM 7 SD MET A 1 4.537 1.488 -16.060 1.00 0.00 S ATOM 8 CE MET A 1 3.666 0.002 -16.551 1.00 0.00 C ATOM 0 H1 MET A 1 1.536 5.777 -14.932 1.00 0.00 H new ATOM 0 H2 MET A 1 2.018 6.346 -13.406 1.00 0.00 H new ATOM 0 H3 MET A 1 3.132 6.303 -14.687 1.00 0.00 H new ATOM 0 HA MET A 1 1.872 3.949 -13.380 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.340 3.791 -15.875 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.027 4.125 -15.535 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.743 2.054 -13.872 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.421 1.661 -14.952 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.264 -0.547 -17.278 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.494 -0.625 -15.676 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.709 0.272 -16.998 1.00 0.00 H new ATOM 20 N ARG A 2 3.686 5.203 -11.774 1.00 0.00 N ATOM 21 CA ARG A 2 4.710 5.306 -10.740 1.00 0.00 C ATOM 22 C ARG A 2 4.600 4.152 -9.749 1.00 0.00 C ATOM 23 O ARG A 2 3.788 3.243 -9.925 1.00 0.00 O ATOM 24 CB ARG A 2 4.584 6.641 -10.002 1.00 0.00 C ATOM 25 CG ARG A 2 5.502 7.724 -10.546 1.00 0.00 C ATOM 26 CD ARG A 2 5.135 8.101 -11.973 1.00 0.00 C ATOM 27 NE ARG A 2 6.311 8.458 -12.764 1.00 0.00 N ATOM 28 CZ ARG A 2 6.258 9.152 -13.899 1.00 0.00 C ATOM 29 NH1 ARG A 2 5.091 9.564 -14.379 1.00 0.00 N ATOM 30 NH2 ARG A 2 7.374 9.435 -14.556 1.00 0.00 N ATOM 0 H ARG A 2 2.840 5.741 -11.586 1.00 0.00 H new ATOM 0 HA ARG A 2 5.686 5.255 -11.222 1.00 0.00 H new ATOM 0 HB2 ARG A 2 3.552 6.986 -10.065 1.00 0.00 H new ATOM 0 HB3 ARG A 2 4.805 6.485 -8.946 1.00 0.00 H new ATOM 0 HG2 ARG A 2 5.443 8.606 -9.909 1.00 0.00 H new ATOM 0 HG3 ARG A 2 6.535 7.377 -10.514 1.00 0.00 H new ATOM 0 HD2 ARG A 2 4.619 7.266 -12.447 1.00 0.00 H new ATOM 0 HD3 ARG A 2 4.439 8.940 -11.959 1.00 0.00 H new ATOM 0 HE ARG A 2 7.226 8.158 -12.427 1.00 0.00 H new ATOM 0 HH11 ARG A 2 4.229 9.349 -13.878 1.00 0.00 H new ATOM 0 HH12 ARG A 2 5.056 10.095 -15.249 1.00 0.00 H new ATOM 0 HH21 ARG A 2 8.274 9.121 -14.192 1.00 0.00 H new ATOM 0 HH22 ARG A 2 7.333 9.967 -15.426 1.00 0.00 H new ATOM 44 N ASN A 3 5.423 4.194 -8.706 1.00 0.00 N ATOM 45 CA ASN A 3 5.421 3.152 -7.686 1.00 0.00 C ATOM 46 C ASN A 3 5.170 3.745 -6.304 1.00 0.00 C ATOM 47 O ASN A 3 6.051 4.374 -5.717 1.00 0.00 O ATOM 48 CB ASN A 3 6.750 2.397 -7.695 1.00 0.00 C ATOM 49 CG ASN A 3 6.821 1.362 -8.802 1.00 0.00 C ATOM 50 OD1 ASN A 3 6.733 0.161 -8.549 1.00 0.00 O ATOM 51 ND2 ASN A 3 6.981 1.826 -10.036 1.00 0.00 N ATOM 0 H ASN A 3 6.100 4.939 -8.545 1.00 0.00 H new ATOM 0 HA ASN A 3 4.614 2.456 -7.916 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.568 3.108 -7.813 1.00 0.00 H new ATOM 0 HB3 ASN A 3 6.892 1.906 -6.732 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.036 1.178 -10.822 1.00 0.00 H new ATOM 0 HD22 ASN A 3 7.049 2.831 -10.198 1.00 0.00 H new ATOM 58 N ILE A 4 3.962 3.540 -5.787 1.00 0.00 N ATOM 59 CA ILE A 4 3.596 4.056 -4.473 1.00 0.00 C ATOM 60 C ILE A 4 4.424 3.394 -3.376 1.00 0.00 C ATOM 61 O ILE A 4 4.770 2.217 -3.471 1.00 0.00 O ATOM 62 CB ILE A 4 2.099 3.835 -4.179 1.00 0.00 C ATOM 63 CG1 ILE A 4 1.245 4.367 -5.331 1.00 0.00 C ATOM 64 CG2 ILE A 4 1.710 4.510 -2.871 1.00 0.00 C ATOM 65 CD1 ILE A 4 0.009 3.537 -5.598 1.00 0.00 C ATOM 0 H ILE A 4 3.221 3.021 -6.258 1.00 0.00 H new ATOM 0 HA ILE A 4 3.800 5.127 -4.483 1.00 0.00 H new ATOM 0 HB ILE A 4 1.919 2.764 -4.082 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.944 5.391 -5.108 1.00 0.00 H new ATOM 0 HG13 ILE A 4 1.851 4.403 -6.236 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.650 4.345 -2.677 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.298 4.089 -2.055 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.903 5.580 -2.942 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -0.549 3.972 -6.427 1.00 0.00 H new ATOM 0 HD12 ILE A 4 0.303 2.519 -5.853 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -0.618 3.522 -4.707 1.00 0.00 H new ATOM 77 N TYR A 5 4.741 4.161 -2.338 1.00 0.00 N ATOM 78 CA TYR A 5 5.531 3.650 -1.223 1.00 0.00 C ATOM 79 C TYR A 5 4.805 3.862 0.101 1.00 0.00 C ATOM 80 O TYR A 5 4.577 4.996 0.521 1.00 0.00 O ATOM 81 CB TYR A 5 6.897 4.339 -1.184 1.00 0.00 C ATOM 82 CG TYR A 5 7.913 3.629 -0.318 1.00 0.00 C ATOM 83 CD1 TYR A 5 7.744 3.546 1.058 1.00 0.00 C ATOM 84 CD2 TYR A 5 9.043 3.045 -0.878 1.00 0.00 C ATOM 85 CE1 TYR A 5 8.672 2.899 1.853 1.00 0.00 C ATOM 86 CE2 TYR A 5 9.974 2.396 -0.090 1.00 0.00 C ATOM 87 CZ TYR A 5 9.785 2.326 1.273 1.00 0.00 C ATOM 88 OH TYR A 5 10.711 1.682 2.061 1.00 0.00 O ATOM 0 H TYR A 5 4.463 5.138 -2.245 1.00 0.00 H new ATOM 0 HA TYR A 5 5.674 2.579 -1.371 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.286 4.412 -2.200 1.00 0.00 H new ATOM 0 HB3 TYR A 5 6.770 5.358 -0.818 1.00 0.00 H new ATOM 0 HD1 TYR A 5 6.874 3.994 1.514 1.00 0.00 H new ATOM 0 HD2 TYR A 5 9.196 3.099 -1.946 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.526 2.843 2.922 1.00 0.00 H new ATOM 0 HE2 TYR A 5 10.846 1.946 -0.540 1.00 0.00 H new ATOM 0 HH TYR A 5 10.361 0.806 2.328 1.00 0.00 H new ATOM 98 N VAL A 6 4.446 2.762 0.757 1.00 0.00 N ATOM 99 CA VAL A 6 3.749 2.829 2.035 1.00 0.00 C ATOM 100 C VAL A 6 4.655 2.374 3.175 1.00 0.00 C ATOM 101 O VAL A 6 5.432 1.433 3.023 1.00 0.00 O ATOM 102 CB VAL A 6 2.471 1.967 2.027 1.00 0.00 C ATOM 103 CG1 VAL A 6 2.810 0.501 1.801 1.00 0.00 C ATOM 104 CG2 VAL A 6 1.694 2.147 3.324 1.00 0.00 C ATOM 0 H VAL A 6 4.627 1.815 0.424 1.00 0.00 H new ATOM 0 HA VAL A 6 3.469 3.871 2.191 1.00 0.00 H new ATOM 0 HB VAL A 6 1.841 2.300 1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.893 -0.088 1.799 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.316 0.388 0.842 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.464 0.152 2.600 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.796 1.530 3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.317 1.846 4.166 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.412 3.194 3.437 1.00 0.00 H new ATOM 114 N GLY A 7 4.550 3.048 4.316 1.00 0.00 N ATOM 115 CA GLY A 7 5.368 2.697 5.462 1.00 0.00 C ATOM 116 C GLY A 7 4.540 2.321 6.675 1.00 0.00 C ATOM 117 O GLY A 7 4.601 2.989 7.708 1.00 0.00 O ATOM 0 H GLY A 7 3.913 3.830 4.467 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.018 1.863 5.198 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.014 3.538 5.714 1.00 0.00 H new ATOM 121 N ASN A 8 3.767 1.248 6.551 1.00 0.00 N ATOM 122 CA ASN A 8 2.922 0.779 7.643 1.00 0.00 C ATOM 123 C ASN A 8 2.193 -0.501 7.247 1.00 0.00 C ATOM 124 O ASN A 8 0.963 -0.535 7.186 1.00 0.00 O ATOM 125 CB ASN A 8 1.911 1.859 8.037 1.00 0.00 C ATOM 126 CG ASN A 8 1.362 1.654 9.436 1.00 0.00 C ATOM 127 OD1 ASN A 8 2.094 1.745 10.422 1.00 0.00 O ATOM 128 ND2 ASN A 8 0.067 1.376 9.529 1.00 0.00 N ATOM 0 H ASN A 8 3.708 0.685 5.702 1.00 0.00 H new ATOM 0 HA ASN A 8 3.560 0.564 8.500 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.387 2.838 7.976 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.087 1.860 7.323 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.358 1.228 10.444 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.502 1.310 8.685 1.00 0.00 H new ATOM 135 N LEU A 9 2.961 -1.550 6.975 1.00 0.00 N ATOM 136 CA LEU A 9 2.389 -2.833 6.579 1.00 0.00 C ATOM 137 C LEU A 9 2.562 -3.874 7.681 1.00 0.00 C ATOM 138 O LEU A 9 3.393 -3.717 8.576 1.00 0.00 O ATOM 139 CB LEU A 9 3.044 -3.326 5.287 1.00 0.00 C ATOM 140 CG LEU A 9 2.273 -2.998 4.006 1.00 0.00 C ATOM 141 CD1 LEU A 9 2.973 -3.597 2.795 1.00 0.00 C ATOM 142 CD2 LEU A 9 0.842 -3.506 4.102 1.00 0.00 C ATOM 0 H LEU A 9 3.980 -1.538 7.021 1.00 0.00 H new ATOM 0 HA LEU A 9 1.322 -2.690 6.408 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.041 -2.892 5.214 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.170 -4.407 5.351 1.00 0.00 H new ATOM 0 HG LEU A 9 2.246 -1.915 3.886 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.411 -3.354 1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.980 -3.187 2.717 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.030 -4.680 2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.308 -3.265 3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.848 -4.587 4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.343 -3.031 4.947 1.00 0.00 H new ATOM 154 N VAL A 10 1.770 -4.939 7.603 1.00 0.00 N ATOM 155 CA VAL A 10 1.828 -6.013 8.585 1.00 0.00 C ATOM 156 C VAL A 10 0.832 -7.115 8.239 1.00 0.00 C ATOM 157 O VAL A 10 -0.104 -6.899 7.470 1.00 0.00 O ATOM 158 CB VAL A 10 1.544 -5.494 10.010 1.00 0.00 C ATOM 159 CG1 VAL A 10 0.123 -4.961 10.121 1.00 0.00 C ATOM 160 CG2 VAL A 10 1.794 -6.586 11.039 1.00 0.00 C ATOM 0 H VAL A 10 1.079 -5.080 6.867 1.00 0.00 H new ATOM 0 HA VAL A 10 2.840 -6.418 8.559 1.00 0.00 H new ATOM 0 HB VAL A 10 2.229 -4.671 10.214 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.052 -4.601 11.135 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.014 -4.141 9.416 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.584 -5.759 9.892 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.588 -6.199 12.037 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.140 -7.434 10.836 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.834 -6.908 10.982 1.00 0.00 H new ATOM 170 N TYR A 11 1.038 -8.298 8.809 1.00 0.00 N ATOM 171 CA TYR A 11 0.158 -9.438 8.560 1.00 0.00 C ATOM 172 C TYR A 11 -1.313 -9.042 8.683 1.00 0.00 C ATOM 173 O TYR A 11 -2.181 -9.645 8.051 1.00 0.00 O ATOM 174 CB TYR A 11 0.479 -10.575 9.532 1.00 0.00 C ATOM 175 CG TYR A 11 1.019 -11.815 8.854 1.00 0.00 C ATOM 176 CD1 TYR A 11 0.442 -12.299 7.687 1.00 0.00 C ATOM 177 CD2 TYR A 11 2.105 -12.501 9.383 1.00 0.00 C ATOM 178 CE1 TYR A 11 0.934 -13.432 7.066 1.00 0.00 C ATOM 179 CE2 TYR A 11 2.602 -13.635 8.766 1.00 0.00 C ATOM 180 CZ TYR A 11 2.012 -14.095 7.609 1.00 0.00 C ATOM 181 OH TYR A 11 2.504 -15.223 6.993 1.00 0.00 O ATOM 0 H TYR A 11 1.808 -8.494 9.448 1.00 0.00 H new ATOM 0 HA TYR A 11 0.331 -9.779 7.539 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.208 -10.223 10.262 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.424 -10.836 10.084 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.404 -11.782 7.258 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.569 -12.143 10.290 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.475 -13.796 6.159 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.448 -14.157 9.189 1.00 0.00 H new ATOM 0 HH TYR A 11 3.266 -15.569 7.503 1.00 0.00 H new ATOM 191 N SER A 12 -1.588 -8.029 9.500 1.00 0.00 N ATOM 192 CA SER A 12 -2.955 -7.561 9.702 1.00 0.00 C ATOM 193 C SER A 12 -3.100 -6.096 9.301 1.00 0.00 C ATOM 194 O SER A 12 -3.923 -5.369 9.858 1.00 0.00 O ATOM 195 CB SER A 12 -3.367 -7.743 11.164 1.00 0.00 C ATOM 196 OG SER A 12 -2.540 -6.979 12.027 1.00 0.00 O ATOM 0 H SER A 12 -0.884 -7.518 10.032 1.00 0.00 H new ATOM 0 HA SER A 12 -3.611 -8.157 9.067 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.407 -7.443 11.292 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.304 -8.797 11.434 1.00 0.00 H new ATOM 0 HG SER A 12 -2.825 -7.111 12.955 1.00 0.00 H new ATOM 202 N ALA A 13 -2.298 -5.667 8.331 1.00 0.00 N ATOM 203 CA ALA A 13 -2.343 -4.287 7.858 1.00 0.00 C ATOM 204 C ALA A 13 -3.641 -4.000 7.119 1.00 0.00 C ATOM 205 O ALA A 13 -4.128 -2.868 7.128 1.00 0.00 O ATOM 206 CB ALA A 13 -1.148 -3.995 6.963 1.00 0.00 C ATOM 0 H ALA A 13 -1.611 -6.253 7.858 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.300 -3.632 8.728 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.196 -2.962 6.618 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.227 -4.148 7.525 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.164 -4.666 6.104 1.00 0.00 H new ATOM 212 N THR A 14 -4.181 -5.027 6.459 1.00 0.00 N ATOM 213 CA THR A 14 -5.412 -4.910 5.684 1.00 0.00 C ATOM 214 C THR A 14 -5.082 -4.541 4.254 1.00 0.00 C ATOM 215 O THR A 14 -5.972 -4.273 3.448 1.00 0.00 O ATOM 216 CB THR A 14 -6.354 -3.857 6.268 1.00 0.00 C ATOM 217 OG1 THR A 14 -6.263 -3.819 7.682 1.00 0.00 O ATOM 218 CG2 THR A 14 -7.803 -4.088 5.912 1.00 0.00 C ATOM 0 H THR A 14 -3.775 -5.963 6.449 1.00 0.00 H new ATOM 0 HA THR A 14 -5.917 -5.876 5.720 1.00 0.00 H new ATOM 0 HB THR A 14 -6.031 -2.913 5.828 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.726 -3.046 7.955 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.417 -3.305 6.358 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.919 -4.067 4.828 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.121 -5.059 6.292 1.00 0.00 H new ATOM 226 N SER A 15 -3.792 -4.511 3.947 1.00 0.00 N ATOM 227 CA SER A 15 -3.358 -4.153 2.621 1.00 0.00 C ATOM 228 C SER A 15 -3.694 -5.252 1.624 1.00 0.00 C ATOM 229 O SER A 15 -4.330 -5.004 0.599 1.00 0.00 O ATOM 230 CB SER A 15 -1.858 -3.857 2.602 1.00 0.00 C ATOM 231 OG SER A 15 -1.602 -2.497 2.907 1.00 0.00 O ATOM 0 H SER A 15 -3.039 -4.730 4.599 1.00 0.00 H new ATOM 0 HA SER A 15 -3.892 -3.249 2.327 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.349 -4.497 3.323 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.450 -4.096 1.620 1.00 0.00 H new ATOM 0 HG SER A 15 -1.134 -2.076 2.156 1.00 0.00 H new ATOM 237 N GLU A 16 -3.276 -6.472 1.937 1.00 0.00 N ATOM 238 CA GLU A 16 -3.549 -7.611 1.071 1.00 0.00 C ATOM 239 C GLU A 16 -5.052 -7.848 0.960 1.00 0.00 C ATOM 240 O GLU A 16 -5.521 -8.518 0.039 1.00 0.00 O ATOM 241 CB GLU A 16 -2.859 -8.867 1.606 1.00 0.00 C ATOM 242 CG GLU A 16 -2.840 -10.020 0.615 1.00 0.00 C ATOM 243 CD GLU A 16 -1.492 -10.187 -0.059 1.00 0.00 C ATOM 244 OE1 GLU A 16 -0.968 -9.189 -0.596 1.00 0.00 O ATOM 245 OE2 GLU A 16 -0.960 -11.317 -0.049 1.00 0.00 O ATOM 0 H GLU A 16 -2.749 -6.697 2.781 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.155 -7.390 0.079 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.834 -8.619 1.882 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.365 -9.189 2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.100 -10.943 1.132 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.604 -9.854 -0.145 1.00 0.00 H new ATOM 252 N GLN A 17 -5.805 -7.292 1.907 1.00 0.00 N ATOM 253 CA GLN A 17 -7.254 -7.435 1.920 1.00 0.00 C ATOM 254 C GLN A 17 -7.922 -6.303 1.143 1.00 0.00 C ATOM 255 O GLN A 17 -8.907 -6.518 0.437 1.00 0.00 O ATOM 256 CB GLN A 17 -7.768 -7.459 3.361 1.00 0.00 C ATOM 257 CG GLN A 17 -9.280 -7.563 3.470 1.00 0.00 C ATOM 258 CD GLN A 17 -9.738 -8.929 3.947 1.00 0.00 C ATOM 259 OE1 GLN A 17 -9.661 -9.913 3.211 1.00 0.00 O ATOM 260 NE2 GLN A 17 -10.218 -8.994 5.183 1.00 0.00 N ATOM 0 H GLN A 17 -5.431 -6.737 2.677 1.00 0.00 H new ATOM 0 HA GLN A 17 -7.508 -8.378 1.435 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -7.316 -8.302 3.884 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.438 -6.554 3.870 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -9.644 -6.801 4.159 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.726 -7.353 2.498 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -10.263 -8.152 5.758 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.542 -9.886 5.558 1.00 0.00 H new ATOM 269 N VAL A 18 -7.383 -5.095 1.285 1.00 0.00 N ATOM 270 CA VAL A 18 -7.933 -3.927 0.604 1.00 0.00 C ATOM 271 C VAL A 18 -7.448 -3.836 -0.841 1.00 0.00 C ATOM 272 O VAL A 18 -8.107 -3.228 -1.686 1.00 0.00 O ATOM 273 CB VAL A 18 -7.569 -2.621 1.343 1.00 0.00 C ATOM 274 CG1 VAL A 18 -6.065 -2.384 1.319 1.00 0.00 C ATOM 275 CG2 VAL A 18 -8.315 -1.442 0.736 1.00 0.00 C ATOM 0 H VAL A 18 -6.567 -4.900 1.865 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.016 -4.049 0.605 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.874 -2.720 2.385 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.834 -1.458 1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.558 -3.216 1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.725 -2.308 0.286 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.047 -0.529 1.268 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.044 -1.342 -0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.389 -1.609 0.819 1.00 0.00 H new ATOM 285 N LYS A 19 -6.295 -4.437 -1.124 1.00 0.00 N ATOM 286 CA LYS A 19 -5.733 -4.413 -2.473 1.00 0.00 C ATOM 287 C LYS A 19 -6.765 -4.859 -3.504 1.00 0.00 C ATOM 288 O LYS A 19 -6.820 -4.326 -4.612 1.00 0.00 O ATOM 289 CB LYS A 19 -4.493 -5.308 -2.551 1.00 0.00 C ATOM 290 CG LYS A 19 -4.798 -6.788 -2.393 1.00 0.00 C ATOM 291 CD LYS A 19 -3.525 -7.618 -2.353 1.00 0.00 C ATOM 292 CE LYS A 19 -3.158 -8.143 -3.732 1.00 0.00 C ATOM 293 NZ LYS A 19 -4.122 -9.171 -4.210 1.00 0.00 N ATOM 0 H LYS A 19 -5.733 -4.945 -0.441 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.444 -3.386 -2.698 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.000 -5.148 -3.510 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.789 -5.006 -1.776 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.367 -6.948 -1.477 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -5.425 -7.122 -3.220 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.707 -7.012 -1.964 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.657 -8.455 -1.667 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.130 -7.315 -4.440 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -2.156 -8.571 -3.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -3.669 -9.760 -4.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.414 -9.771 -3.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -4.957 -8.702 -4.614 1.00 0.00 H new ATOM 307 N GLU A 20 -7.586 -5.835 -3.130 1.00 0.00 N ATOM 308 CA GLU A 20 -8.621 -6.345 -4.023 1.00 0.00 C ATOM 309 C GLU A 20 -9.576 -5.228 -4.428 1.00 0.00 C ATOM 310 O GLU A 20 -10.105 -5.218 -5.539 1.00 0.00 O ATOM 311 CB GLU A 20 -9.394 -7.481 -3.346 1.00 0.00 C ATOM 312 CG GLU A 20 -9.125 -8.847 -3.957 1.00 0.00 C ATOM 313 CD GLU A 20 -10.398 -9.598 -4.293 1.00 0.00 C ATOM 314 OE1 GLU A 20 -10.928 -10.296 -3.403 1.00 0.00 O ATOM 315 OE2 GLU A 20 -10.866 -9.489 -5.446 1.00 0.00 O ATOM 0 H GLU A 20 -7.555 -6.288 -2.217 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.141 -6.733 -4.921 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.133 -7.507 -2.288 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.462 -7.269 -3.406 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.530 -8.725 -4.862 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.530 -9.440 -3.263 1.00 0.00 H new ATOM 322 N LEU A 21 -9.786 -4.283 -3.516 1.00 0.00 N ATOM 323 CA LEU A 21 -10.671 -3.154 -3.774 1.00 0.00 C ATOM 324 C LEU A 21 -9.931 -2.055 -4.530 1.00 0.00 C ATOM 325 O LEU A 21 -10.524 -1.324 -5.322 1.00 0.00 O ATOM 326 CB LEU A 21 -11.225 -2.602 -2.459 1.00 0.00 C ATOM 327 CG LEU A 21 -12.201 -1.433 -2.606 1.00 0.00 C ATOM 328 CD1 LEU A 21 -13.304 -1.522 -1.563 1.00 0.00 C ATOM 329 CD2 LEU A 21 -11.464 -0.107 -2.494 1.00 0.00 C ATOM 0 H LEU A 21 -9.355 -4.278 -2.592 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.501 -3.503 -4.389 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.727 -3.410 -1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.389 -2.281 -1.837 1.00 0.00 H new ATOM 0 HG LEU A 21 -12.659 -1.490 -3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.988 -0.682 -1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -13.851 -2.456 -1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -12.865 -1.492 -0.566 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.173 0.714 -2.601 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.978 -0.042 -1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -10.712 -0.041 -3.280 1.00 0.00 H new ATOM 341 N PHE A 22 -8.629 -1.950 -4.282 1.00 0.00 N ATOM 342 CA PHE A 22 -7.803 -0.945 -4.942 1.00 0.00 C ATOM 343 C PHE A 22 -7.819 -1.135 -6.458 1.00 0.00 C ATOM 344 O PHE A 22 -7.518 -0.209 -7.210 1.00 0.00 O ATOM 345 CB PHE A 22 -6.366 -1.009 -4.416 1.00 0.00 C ATOM 346 CG PHE A 22 -5.929 0.246 -3.714 1.00 0.00 C ATOM 347 CD1 PHE A 22 -6.687 0.777 -2.682 1.00 0.00 C ATOM 348 CD2 PHE A 22 -4.760 0.891 -4.085 1.00 0.00 C ATOM 349 CE1 PHE A 22 -6.287 1.930 -2.034 1.00 0.00 C ATOM 350 CE2 PHE A 22 -4.357 2.045 -3.439 1.00 0.00 C ATOM 351 CZ PHE A 22 -5.120 2.565 -2.413 1.00 0.00 C ATOM 0 H PHE A 22 -8.123 -2.549 -3.629 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.218 0.037 -4.717 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -6.276 -1.850 -3.729 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -5.691 -1.204 -5.249 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.600 0.284 -2.381 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.158 0.488 -4.886 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -6.886 2.335 -1.232 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.445 2.540 -3.737 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.805 3.466 -1.908 1.00 0.00 H new ATOM 361 N SER A 23 -8.170 -2.340 -6.899 1.00 0.00 N ATOM 362 CA SER A 23 -8.222 -2.646 -8.324 1.00 0.00 C ATOM 363 C SER A 23 -9.547 -2.192 -8.932 1.00 0.00 C ATOM 364 O SER A 23 -9.616 -1.856 -10.114 1.00 0.00 O ATOM 365 CB SER A 23 -8.032 -4.147 -8.550 1.00 0.00 C ATOM 366 OG SER A 23 -7.644 -4.415 -9.887 1.00 0.00 O ATOM 0 H SER A 23 -8.422 -3.119 -6.290 1.00 0.00 H new ATOM 0 HA SER A 23 -7.414 -2.105 -8.816 1.00 0.00 H new ATOM 0 HB2 SER A 23 -7.275 -4.528 -7.865 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.960 -4.673 -8.325 1.00 0.00 H new ATOM 0 HG SER A 23 -7.527 -5.381 -10.006 1.00 0.00 H new ATOM 372 N GLN A 24 -10.596 -2.185 -8.116 1.00 0.00 N ATOM 373 CA GLN A 24 -11.917 -1.774 -8.576 1.00 0.00 C ATOM 374 C GLN A 24 -12.050 -0.253 -8.579 1.00 0.00 C ATOM 375 O GLN A 24 -12.891 0.303 -9.285 1.00 0.00 O ATOM 376 CB GLN A 24 -13.001 -2.388 -7.689 1.00 0.00 C ATOM 377 CG GLN A 24 -12.929 -3.905 -7.604 1.00 0.00 C ATOM 378 CD GLN A 24 -14.298 -4.550 -7.529 1.00 0.00 C ATOM 379 OE1 GLN A 24 -15.290 -3.895 -7.210 1.00 0.00 O ATOM 380 NE2 GLN A 24 -14.358 -5.844 -7.823 1.00 0.00 N ATOM 0 H GLN A 24 -10.557 -2.459 -7.134 1.00 0.00 H new ATOM 0 HA GLN A 24 -12.043 -2.132 -9.598 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -12.917 -1.972 -6.685 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -13.980 -2.100 -8.073 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -12.398 -4.289 -8.475 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -12.349 -4.189 -6.726 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -13.510 -6.348 -8.083 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -15.252 -6.334 -7.789 1.00 0.00 H new ATOM 389 N PHE A 25 -11.218 0.417 -7.786 1.00 0.00 N ATOM 390 CA PHE A 25 -11.251 1.872 -7.700 1.00 0.00 C ATOM 391 C PHE A 25 -9.987 2.488 -8.296 1.00 0.00 C ATOM 392 O PHE A 25 -10.022 3.590 -8.842 1.00 0.00 O ATOM 393 CB PHE A 25 -11.405 2.314 -6.244 1.00 0.00 C ATOM 394 CG PHE A 25 -11.578 3.796 -6.079 1.00 0.00 C ATOM 395 CD1 PHE A 25 -10.479 4.641 -6.094 1.00 0.00 C ATOM 396 CD2 PHE A 25 -12.839 4.345 -5.910 1.00 0.00 C ATOM 397 CE1 PHE A 25 -10.635 6.005 -5.943 1.00 0.00 C ATOM 398 CE2 PHE A 25 -13.001 5.710 -5.759 1.00 0.00 C ATOM 399 CZ PHE A 25 -11.897 6.540 -5.776 1.00 0.00 C ATOM 0 H PHE A 25 -10.514 -0.025 -7.195 1.00 0.00 H new ATOM 0 HA PHE A 25 -12.108 2.222 -8.275 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -12.265 1.806 -5.808 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -10.528 1.995 -5.682 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -9.490 4.228 -6.225 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -13.705 3.700 -5.896 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -9.771 6.653 -5.956 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -13.989 6.126 -5.628 1.00 0.00 H new ATOM 0 HZ PHE A 25 -12.021 7.606 -5.659 1.00 0.00 H new ATOM 409 N GLY A 26 -8.874 1.771 -8.183 1.00 0.00 N ATOM 410 CA GLY A 26 -7.615 2.268 -8.712 1.00 0.00 C ATOM 411 C GLY A 26 -7.071 1.415 -9.841 1.00 0.00 C ATOM 412 O GLY A 26 -6.296 1.893 -10.669 1.00 0.00 O ATOM 0 H GLY A 26 -8.820 0.856 -7.736 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -7.754 3.288 -9.069 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.880 2.309 -7.908 1.00 0.00 H new ATOM 416 N LYS A 27 -7.474 0.148 -9.877 1.00 0.00 N ATOM 417 CA LYS A 27 -7.017 -0.769 -10.914 1.00 0.00 C ATOM 418 C LYS A 27 -5.504 -0.961 -10.841 1.00 0.00 C ATOM 419 O LYS A 27 -4.803 -0.841 -11.846 1.00 0.00 O ATOM 420 CB LYS A 27 -7.413 -0.250 -12.298 1.00 0.00 C ATOM 421 CG LYS A 27 -8.813 0.340 -12.353 1.00 0.00 C ATOM 422 CD LYS A 27 -9.081 1.022 -13.686 1.00 0.00 C ATOM 423 CE LYS A 27 -10.140 0.284 -14.489 1.00 0.00 C ATOM 424 NZ LYS A 27 -9.629 -1.009 -15.026 1.00 0.00 N ATOM 0 H LYS A 27 -8.115 -0.266 -9.200 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.496 -1.734 -10.748 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.696 0.509 -12.610 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.344 -1.067 -13.016 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.548 -0.449 -12.193 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.937 1.060 -11.544 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.405 2.048 -13.512 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.157 1.073 -14.262 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.009 0.097 -13.858 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.474 0.913 -15.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.381 -1.482 -15.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.815 -0.829 -15.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.334 -1.620 -14.238 1.00 0.00 H new ATOM 438 N VAL A 28 -5.009 -1.262 -9.645 1.00 0.00 N ATOM 439 CA VAL A 28 -3.581 -1.474 -9.437 1.00 0.00 C ATOM 440 C VAL A 28 -3.043 -2.556 -10.369 1.00 0.00 C ATOM 441 O VAL A 28 -3.746 -3.512 -10.698 1.00 0.00 O ATOM 442 CB VAL A 28 -3.280 -1.867 -7.977 1.00 0.00 C ATOM 443 CG1 VAL A 28 -3.987 -3.164 -7.614 1.00 0.00 C ATOM 444 CG2 VAL A 28 -1.780 -1.988 -7.752 1.00 0.00 C ATOM 0 H VAL A 28 -5.577 -1.365 -8.804 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.084 -0.530 -9.660 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.659 -1.080 -7.325 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.762 -3.424 -6.580 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.063 -3.036 -7.730 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.643 -3.962 -8.272 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.589 -2.266 -6.716 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.373 -2.753 -8.414 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.302 -1.032 -7.965 1.00 0.00 H new ATOM 454 N PHE A 29 -1.792 -2.398 -10.791 1.00 0.00 N ATOM 455 CA PHE A 29 -1.161 -3.361 -11.684 1.00 0.00 C ATOM 456 C PHE A 29 -0.374 -4.403 -10.895 1.00 0.00 C ATOM 457 O PHE A 29 -0.251 -5.552 -11.319 1.00 0.00 O ATOM 458 CB PHE A 29 -0.234 -2.644 -12.668 1.00 0.00 C ATOM 459 CG PHE A 29 -0.957 -1.742 -13.627 1.00 0.00 C ATOM 460 CD1 PHE A 29 -1.486 -2.245 -14.806 1.00 0.00 C ATOM 461 CD2 PHE A 29 -1.110 -0.393 -13.350 1.00 0.00 C ATOM 462 CE1 PHE A 29 -2.153 -1.418 -15.690 1.00 0.00 C ATOM 463 CE2 PHE A 29 -1.775 0.438 -14.231 1.00 0.00 C ATOM 464 CZ PHE A 29 -2.296 -0.074 -15.402 1.00 0.00 C ATOM 0 H PHE A 29 -1.197 -1.613 -10.529 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.947 -3.871 -12.240 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.493 -2.056 -12.107 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.326 -3.388 -13.234 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.376 -3.294 -15.036 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.705 0.013 -12.435 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.562 -1.822 -16.605 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -1.887 1.488 -14.003 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.815 0.575 -16.092 1.00 0.00 H new ATOM 474 N ASN A 30 0.158 -3.993 -9.748 1.00 0.00 N ATOM 475 CA ASN A 30 0.932 -4.894 -8.902 1.00 0.00 C ATOM 476 C ASN A 30 0.821 -4.499 -7.433 1.00 0.00 C ATOM 477 O ASN A 30 0.731 -3.317 -7.101 1.00 0.00 O ATOM 478 CB ASN A 30 2.401 -4.891 -9.333 1.00 0.00 C ATOM 479 CG ASN A 30 3.229 -5.908 -8.572 1.00 0.00 C ATOM 480 OD1 ASN A 30 2.716 -6.934 -8.124 1.00 0.00 O ATOM 481 ND2 ASN A 30 4.518 -5.626 -8.419 1.00 0.00 N ATOM 0 H ASN A 30 0.068 -3.045 -9.384 1.00 0.00 H new ATOM 0 HA ASN A 30 0.525 -5.899 -9.018 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.464 -5.101 -10.401 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.820 -3.897 -9.179 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.125 -6.272 -7.914 1.00 0.00 H new ATOM 0 HD22 ASN A 30 4.901 -4.764 -8.807 1.00 0.00 H new ATOM 488 N VAL A 31 0.833 -5.499 -6.558 1.00 0.00 N ATOM 489 CA VAL A 31 0.736 -5.263 -5.122 1.00 0.00 C ATOM 490 C VAL A 31 1.534 -6.307 -4.347 1.00 0.00 C ATOM 491 O VAL A 31 1.126 -7.463 -4.243 1.00 0.00 O ATOM 492 CB VAL A 31 -0.727 -5.292 -4.641 1.00 0.00 C ATOM 493 CG1 VAL A 31 -0.820 -4.878 -3.180 1.00 0.00 C ATOM 494 CG2 VAL A 31 -1.594 -4.396 -5.512 1.00 0.00 C ATOM 0 H VAL A 31 0.909 -6.482 -6.819 1.00 0.00 H new ATOM 0 HA VAL A 31 1.149 -4.272 -4.934 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.097 -6.314 -4.728 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.862 -4.905 -2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.235 -5.565 -2.569 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.431 -3.867 -3.063 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.624 -4.430 -5.157 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.226 -3.371 -5.460 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.555 -4.744 -6.544 1.00 0.00 H new ATOM 504 N LYS A 32 2.675 -5.893 -3.806 1.00 0.00 N ATOM 505 CA LYS A 32 3.530 -6.795 -3.044 1.00 0.00 C ATOM 506 C LYS A 32 4.039 -6.128 -1.772 1.00 0.00 C ATOM 507 O LYS A 32 4.119 -4.903 -1.689 1.00 0.00 O ATOM 508 CB LYS A 32 4.713 -7.251 -3.901 1.00 0.00 C ATOM 509 CG LYS A 32 5.081 -8.713 -3.704 1.00 0.00 C ATOM 510 CD LYS A 32 4.482 -9.592 -4.792 1.00 0.00 C ATOM 511 CE LYS A 32 5.486 -10.617 -5.295 1.00 0.00 C ATOM 512 NZ LYS A 32 5.343 -11.924 -4.595 1.00 0.00 N ATOM 0 H LYS A 32 3.029 -4.939 -3.881 1.00 0.00 H new ATOM 0 HA LYS A 32 2.934 -7.663 -2.760 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.476 -7.083 -4.952 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.580 -6.632 -3.667 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.166 -8.819 -3.706 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.729 -9.049 -2.729 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.601 -10.104 -4.404 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.149 -8.969 -5.622 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.350 -10.762 -6.367 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.497 -10.236 -5.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.045 -12.595 -4.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.497 -11.790 -3.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.387 -12.300 -4.754 1.00 0.00 H new ATOM 526 N LEU A 33 4.385 -6.945 -0.782 1.00 0.00 N ATOM 527 CA LEU A 33 4.893 -6.440 0.489 1.00 0.00 C ATOM 528 C LEU A 33 6.324 -6.909 0.718 1.00 0.00 C ATOM 529 O LEU A 33 6.746 -7.931 0.176 1.00 0.00 O ATOM 530 CB LEU A 33 4.001 -6.903 1.647 1.00 0.00 C ATOM 531 CG LEU A 33 2.525 -7.108 1.295 1.00 0.00 C ATOM 532 CD1 LEU A 33 1.721 -7.434 2.544 1.00 0.00 C ATOM 533 CD2 LEU A 33 1.965 -5.874 0.601 1.00 0.00 C ATOM 0 H LEU A 33 4.323 -7.962 -0.836 1.00 0.00 H new ATOM 0 HA LEU A 33 4.882 -5.351 0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.398 -7.840 2.037 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.067 -6.170 2.451 1.00 0.00 H new ATOM 0 HG LEU A 33 2.447 -7.951 0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.674 -7.577 2.276 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.107 -8.347 2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.805 -6.612 3.255 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.915 -6.038 0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.054 -5.012 1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.524 -5.687 -0.316 1.00 0.00 H new ATOM 545 N ILE A 34 7.071 -6.158 1.520 1.00 0.00 N ATOM 546 CA ILE A 34 8.456 -6.504 1.813 1.00 0.00 C ATOM 547 C ILE A 34 8.537 -7.539 2.929 1.00 0.00 C ATOM 548 O ILE A 34 7.519 -7.936 3.496 1.00 0.00 O ATOM 549 CB ILE A 34 9.270 -5.261 2.216 1.00 0.00 C ATOM 550 CG1 ILE A 34 8.666 -4.613 3.462 1.00 0.00 C ATOM 551 CG2 ILE A 34 9.323 -4.266 1.066 1.00 0.00 C ATOM 552 CD1 ILE A 34 9.331 -5.049 4.746 1.00 0.00 C ATOM 0 H ILE A 34 6.741 -5.308 1.977 1.00 0.00 H new ATOM 0 HA ILE A 34 8.880 -6.925 0.901 1.00 0.00 H new ATOM 0 HB ILE A 34 10.289 -5.571 2.448 1.00 0.00 H new ATOM 0 HG12 ILE A 34 8.742 -3.529 3.372 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.604 -4.856 3.511 1.00 0.00 H new ATOM 0 HG21 ILE A 34 9.902 -3.393 1.367 1.00 0.00 H new ATOM 0 HG22 ILE A 34 9.794 -4.734 0.202 1.00 0.00 H new ATOM 0 HG23 ILE A 34 8.311 -3.958 0.805 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.854 -4.551 5.590 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.233 -6.129 4.858 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.387 -4.782 4.718 1.00 0.00 H new ATOM 564 N TYR A 35 9.754 -7.971 3.242 1.00 0.00 N ATOM 565 CA TYR A 35 9.969 -8.961 4.292 1.00 0.00 C ATOM 566 C TYR A 35 11.390 -8.873 4.838 1.00 0.00 C ATOM 567 O TYR A 35 12.250 -8.217 4.252 1.00 0.00 O ATOM 568 CB TYR A 35 9.701 -10.369 3.759 1.00 0.00 C ATOM 569 CG TYR A 35 8.325 -10.535 3.153 1.00 0.00 C ATOM 570 CD1 TYR A 35 7.197 -10.629 3.958 1.00 0.00 C ATOM 571 CD2 TYR A 35 8.155 -10.597 1.776 1.00 0.00 C ATOM 572 CE1 TYR A 35 5.938 -10.781 3.408 1.00 0.00 C ATOM 573 CE2 TYR A 35 6.901 -10.749 1.217 1.00 0.00 C ATOM 574 CZ TYR A 35 5.795 -10.840 2.037 1.00 0.00 C ATOM 575 OH TYR A 35 4.545 -10.991 1.486 1.00 0.00 O ATOM 0 H TYR A 35 10.607 -7.651 2.783 1.00 0.00 H new ATOM 0 HA TYR A 35 9.273 -8.750 5.104 1.00 0.00 H new ATOM 0 HB2 TYR A 35 10.452 -10.613 3.007 1.00 0.00 H new ATOM 0 HB3 TYR A 35 9.820 -11.085 4.572 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.305 -10.583 5.032 1.00 0.00 H new ATOM 0 HD2 TYR A 35 9.018 -10.525 1.131 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.071 -10.853 4.048 1.00 0.00 H new ATOM 0 HE2 TYR A 35 6.787 -10.796 0.144 1.00 0.00 H new ATOM 0 HH TYR A 35 4.619 -11.013 0.509 1.00 0.00 H new ATOM 585 N ASP A 36 11.629 -9.540 5.962 1.00 0.00 N ATOM 586 CA ASP A 36 12.947 -9.538 6.586 1.00 0.00 C ATOM 587 C ASP A 36 13.855 -10.583 5.943 1.00 0.00 C ATOM 588 O ASP A 36 13.380 -11.552 5.352 1.00 0.00 O ATOM 589 CB ASP A 36 12.826 -9.804 8.088 1.00 0.00 C ATOM 590 CG ASP A 36 13.723 -8.898 8.909 1.00 0.00 C ATOM 591 OD1 ASP A 36 13.274 -7.792 9.275 1.00 0.00 O ATOM 592 OD2 ASP A 36 14.873 -9.296 9.189 1.00 0.00 O ATOM 0 H ASP A 36 10.928 -10.089 6.459 1.00 0.00 H new ATOM 0 HA ASP A 36 13.391 -8.554 6.434 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.790 -9.663 8.397 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.080 -10.844 8.292 1.00 0.00 H new ATOM 597 N ARG A 37 15.163 -10.378 6.064 1.00 0.00 N ATOM 598 CA ARG A 37 16.135 -11.304 5.495 1.00 0.00 C ATOM 599 C ARG A 37 16.641 -12.281 6.552 1.00 0.00 C ATOM 600 O ARG A 37 17.822 -12.628 6.576 1.00 0.00 O ATOM 601 CB ARG A 37 17.312 -10.532 4.892 1.00 0.00 C ATOM 602 CG ARG A 37 17.969 -11.243 3.719 1.00 0.00 C ATOM 603 CD ARG A 37 19.486 -11.153 3.787 1.00 0.00 C ATOM 604 NE ARG A 37 20.124 -12.437 3.510 1.00 0.00 N ATOM 605 CZ ARG A 37 20.056 -13.061 2.335 1.00 0.00 C ATOM 606 NH1 ARG A 37 19.382 -12.520 1.326 1.00 0.00 N ATOM 607 NH2 ARG A 37 20.667 -14.226 2.168 1.00 0.00 N ATOM 0 H ARG A 37 15.573 -9.581 6.550 1.00 0.00 H new ATOM 0 HA ARG A 37 15.640 -11.873 4.708 1.00 0.00 H new ATOM 0 HB2 ARG A 37 16.963 -9.553 4.564 1.00 0.00 H new ATOM 0 HB3 ARG A 37 18.059 -10.361 5.667 1.00 0.00 H new ATOM 0 HG2 ARG A 37 17.666 -12.290 3.712 1.00 0.00 H new ATOM 0 HG3 ARG A 37 17.620 -10.804 2.785 1.00 0.00 H new ATOM 0 HD2 ARG A 37 19.838 -10.411 3.070 1.00 0.00 H new ATOM 0 HD3 ARG A 37 19.784 -10.806 4.776 1.00 0.00 H new ATOM 0 HE ARG A 37 20.653 -12.882 4.260 1.00 0.00 H new ATOM 0 HH11 ARG A 37 18.913 -11.622 1.449 1.00 0.00 H new ATOM 0 HH12 ARG A 37 19.333 -13.002 0.428 1.00 0.00 H new ATOM 0 HH21 ARG A 37 21.188 -14.644 2.939 1.00 0.00 H new ATOM 0 HH22 ARG A 37 20.616 -14.705 1.269 1.00 0.00 H new ATOM 621 N GLU A 38 15.739 -12.721 7.422 1.00 0.00 N ATOM 622 CA GLU A 38 16.091 -13.659 8.481 1.00 0.00 C ATOM 623 C GLU A 38 14.851 -14.373 9.011 1.00 0.00 C ATOM 624 O GLU A 38 14.854 -15.589 9.197 1.00 0.00 O ATOM 625 CB GLU A 38 16.801 -12.928 9.624 1.00 0.00 C ATOM 626 CG GLU A 38 17.931 -13.729 10.249 1.00 0.00 C ATOM 627 CD GLU A 38 19.121 -12.865 10.620 1.00 0.00 C ATOM 628 OE1 GLU A 38 19.935 -12.559 9.723 1.00 0.00 O ATOM 629 OE2 GLU A 38 19.239 -12.495 11.807 1.00 0.00 O ATOM 0 H GLU A 38 14.758 -12.443 7.415 1.00 0.00 H new ATOM 0 HA GLU A 38 16.766 -14.405 8.061 1.00 0.00 H new ATOM 0 HB2 GLU A 38 17.199 -11.985 9.249 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.071 -12.682 10.395 1.00 0.00 H new ATOM 0 HG2 GLU A 38 17.562 -14.236 11.141 1.00 0.00 H new ATOM 0 HG3 GLU A 38 18.252 -14.503 9.552 1.00 0.00 H new ATOM 636 N THR A 39 13.792 -13.606 9.250 1.00 0.00 N ATOM 637 CA THR A 39 12.543 -14.163 9.756 1.00 0.00 C ATOM 638 C THR A 39 11.470 -14.191 8.669 1.00 0.00 C ATOM 639 O THR A 39 10.461 -14.885 8.801 1.00 0.00 O ATOM 640 CB THR A 39 12.049 -13.349 10.954 1.00 0.00 C ATOM 641 OG1 THR A 39 12.279 -11.967 10.751 1.00 0.00 O ATOM 642 CG2 THR A 39 12.713 -13.740 12.256 1.00 0.00 C ATOM 0 H THR A 39 13.774 -12.597 9.101 1.00 0.00 H new ATOM 0 HA THR A 39 12.736 -15.188 10.072 1.00 0.00 H new ATOM 0 HB THR A 39 10.983 -13.563 11.030 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.955 -11.464 11.527 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.318 -13.125 13.065 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.511 -14.790 12.467 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.789 -13.587 12.176 1.00 0.00 H new ATOM 650 N LYS A 40 11.692 -13.436 7.595 1.00 0.00 N ATOM 651 CA LYS A 40 10.741 -13.379 6.491 1.00 0.00 C ATOM 652 C LYS A 40 9.402 -12.815 6.953 1.00 0.00 C ATOM 653 O LYS A 40 8.342 -13.254 6.505 1.00 0.00 O ATOM 654 CB LYS A 40 10.541 -14.771 5.886 1.00 0.00 C ATOM 655 CG LYS A 40 11.552 -15.116 4.805 1.00 0.00 C ATOM 656 CD LYS A 40 11.710 -16.619 4.649 1.00 0.00 C ATOM 657 CE LYS A 40 12.730 -16.965 3.576 1.00 0.00 C ATOM 658 NZ LYS A 40 14.127 -16.828 4.074 1.00 0.00 N ATOM 0 H LYS A 40 12.522 -12.856 7.467 1.00 0.00 H new ATOM 0 HA LYS A 40 11.150 -12.716 5.729 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.602 -15.515 6.680 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.537 -14.835 5.466 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.235 -14.682 3.857 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.516 -14.672 5.052 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.019 -17.054 5.600 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.748 -17.062 4.394 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.565 -17.987 3.234 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.586 -16.313 2.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.792 -17.073 3.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.293 -15.847 4.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.273 -17.469 4.880 1.00 0.00 H new ATOM 672 N LYS A 41 9.457 -11.836 7.851 1.00 0.00 N ATOM 673 CA LYS A 41 8.249 -11.209 8.374 1.00 0.00 C ATOM 674 C LYS A 41 8.156 -9.751 7.925 1.00 0.00 C ATOM 675 O LYS A 41 9.158 -9.035 7.911 1.00 0.00 O ATOM 676 CB LYS A 41 8.231 -11.287 9.902 1.00 0.00 C ATOM 677 CG LYS A 41 8.409 -12.697 10.441 1.00 0.00 C ATOM 678 CD LYS A 41 8.493 -12.707 11.959 1.00 0.00 C ATOM 679 CE LYS A 41 8.178 -14.083 12.524 1.00 0.00 C ATOM 680 NZ LYS A 41 9.398 -14.928 12.642 1.00 0.00 N ATOM 0 H LYS A 41 10.326 -11.460 8.231 1.00 0.00 H new ATOM 0 HA LYS A 41 7.388 -11.748 7.980 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.023 -10.652 10.299 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.286 -10.884 10.267 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.574 -13.319 10.118 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.315 -13.136 10.023 1.00 0.00 H new ATOM 0 HD2 LYS A 41 9.492 -12.404 12.271 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.796 -11.976 12.368 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.715 -13.975 13.505 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.452 -14.582 11.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 9.174 -15.787 13.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 9.730 -15.193 11.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.144 -14.394 13.133 1.00 0.00 H new ATOM 694 N PRO A 42 6.950 -9.289 7.548 1.00 0.00 N ATOM 695 CA PRO A 42 6.742 -7.909 7.096 1.00 0.00 C ATOM 696 C PRO A 42 7.231 -6.884 8.114 1.00 0.00 C ATOM 697 O PRO A 42 6.741 -6.834 9.242 1.00 0.00 O ATOM 698 CB PRO A 42 5.223 -7.809 6.927 1.00 0.00 C ATOM 699 CG PRO A 42 4.768 -9.212 6.721 1.00 0.00 C ATOM 700 CD PRO A 42 5.699 -10.070 7.529 1.00 0.00 C ATOM 0 HA PRO A 42 7.300 -7.695 6.184 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.756 -7.367 7.807 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.961 -7.179 6.077 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.736 -9.340 7.048 1.00 0.00 H new ATOM 0 HG3 PRO A 42 4.804 -9.483 5.666 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.317 -10.241 8.535 1.00 0.00 H new ATOM 0 HD3 PRO A 42 5.843 -11.049 7.072 1.00 0.00 H new ATOM 708 N LYS A 43 8.197 -6.068 7.708 1.00 0.00 N ATOM 709 CA LYS A 43 8.751 -5.043 8.584 1.00 0.00 C ATOM 710 C LYS A 43 7.737 -3.928 8.825 1.00 0.00 C ATOM 711 O LYS A 43 7.282 -3.726 9.951 1.00 0.00 O ATOM 712 CB LYS A 43 10.034 -4.463 7.985 1.00 0.00 C ATOM 713 CG LYS A 43 11.012 -5.521 7.502 1.00 0.00 C ATOM 714 CD LYS A 43 12.350 -4.908 7.119 1.00 0.00 C ATOM 715 CE LYS A 43 12.927 -5.562 5.874 1.00 0.00 C ATOM 716 NZ LYS A 43 14.267 -5.012 5.529 1.00 0.00 N ATOM 0 H LYS A 43 8.613 -6.097 6.777 1.00 0.00 H new ATOM 0 HA LYS A 43 8.987 -5.509 9.541 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.774 -3.813 7.150 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.525 -3.840 8.733 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.162 -6.264 8.285 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.590 -6.043 6.643 1.00 0.00 H new ATOM 0 HD2 LYS A 43 12.225 -3.839 6.945 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.051 -5.017 7.946 1.00 0.00 H new ATOM 0 HE2 LYS A 43 13.006 -6.638 6.032 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.246 -5.412 5.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.626 -5.484 4.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.188 -3.990 5.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.924 -5.178 6.318 1.00 0.00 H new ATOM 730 N GLY A 44 7.384 -3.210 7.762 1.00 0.00 N ATOM 731 CA GLY A 44 6.423 -2.130 7.891 1.00 0.00 C ATOM 732 C GLY A 44 6.387 -1.220 6.676 1.00 0.00 C ATOM 733 O GLY A 44 6.459 0.002 6.809 1.00 0.00 O ATOM 0 H GLY A 44 7.744 -3.356 6.819 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.431 -2.551 8.052 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.666 -1.539 8.774 1.00 0.00 H new ATOM 737 N PHE A 45 6.267 -1.812 5.490 1.00 0.00 N ATOM 738 CA PHE A 45 6.212 -1.037 4.253 1.00 0.00 C ATOM 739 C PHE A 45 6.025 -1.948 3.042 1.00 0.00 C ATOM 740 O PHE A 45 6.408 -3.117 3.063 1.00 0.00 O ATOM 741 CB PHE A 45 7.478 -0.194 4.087 1.00 0.00 C ATOM 742 CG PHE A 45 8.741 -1.003 3.993 1.00 0.00 C ATOM 743 CD1 PHE A 45 9.310 -1.558 5.128 1.00 0.00 C ATOM 744 CD2 PHE A 45 9.360 -1.202 2.769 1.00 0.00 C ATOM 745 CE1 PHE A 45 10.475 -2.299 5.044 1.00 0.00 C ATOM 746 CE2 PHE A 45 10.524 -1.942 2.679 1.00 0.00 C ATOM 747 CZ PHE A 45 11.082 -2.491 3.818 1.00 0.00 C ATOM 0 H PHE A 45 6.206 -2.822 5.359 1.00 0.00 H new ATOM 0 HA PHE A 45 5.352 -0.370 4.316 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.381 0.416 3.189 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.559 0.492 4.931 1.00 0.00 H new ATOM 0 HD1 PHE A 45 8.839 -1.410 6.089 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.928 -0.774 1.876 1.00 0.00 H new ATOM 0 HE1 PHE A 45 10.909 -2.727 5.935 1.00 0.00 H new ATOM 0 HE2 PHE A 45 10.997 -2.091 1.720 1.00 0.00 H new ATOM 0 HZ PHE A 45 11.991 -3.069 3.750 1.00 0.00 H new ATOM 757 N GLY A 46 5.429 -1.400 1.986 1.00 0.00 N ATOM 758 CA GLY A 46 5.198 -2.174 0.780 1.00 0.00 C ATOM 759 C GLY A 46 5.269 -1.329 -0.476 1.00 0.00 C ATOM 760 O GLY A 46 5.769 -0.204 -0.447 1.00 0.00 O ATOM 0 H GLY A 46 5.102 -0.435 1.945 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.937 -2.973 0.718 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.219 -2.649 0.839 1.00 0.00 H new ATOM 764 N PHE A 47 4.769 -1.870 -1.584 1.00 0.00 N ATOM 765 CA PHE A 47 4.780 -1.156 -2.855 1.00 0.00 C ATOM 766 C PHE A 47 3.487 -1.392 -3.631 1.00 0.00 C ATOM 767 O PHE A 47 2.914 -2.481 -3.587 1.00 0.00 O ATOM 768 CB PHE A 47 5.981 -1.595 -3.697 1.00 0.00 C ATOM 769 CG PHE A 47 7.119 -0.614 -3.678 1.00 0.00 C ATOM 770 CD1 PHE A 47 7.928 -0.494 -2.561 1.00 0.00 C ATOM 771 CD2 PHE A 47 7.380 0.185 -4.779 1.00 0.00 C ATOM 772 CE1 PHE A 47 8.976 0.407 -2.540 1.00 0.00 C ATOM 773 CE2 PHE A 47 8.426 1.088 -4.766 1.00 0.00 C ATOM 774 CZ PHE A 47 9.225 1.198 -3.645 1.00 0.00 C ATOM 0 H PHE A 47 4.352 -2.800 -1.626 1.00 0.00 H new ATOM 0 HA PHE A 47 4.860 -0.090 -2.641 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.337 -2.559 -3.333 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.657 -1.743 -4.727 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.738 -1.112 -1.696 1.00 0.00 H new ATOM 0 HD2 PHE A 47 6.758 0.101 -5.658 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.599 0.492 -1.662 1.00 0.00 H new ATOM 0 HE2 PHE A 47 8.618 1.706 -5.630 1.00 0.00 H new ATOM 0 HZ PHE A 47 10.044 1.902 -3.632 1.00 0.00 H new ATOM 784 N VAL A 48 3.038 -0.364 -4.346 1.00 0.00 N ATOM 785 CA VAL A 48 1.817 -0.454 -5.138 1.00 0.00 C ATOM 786 C VAL A 48 1.967 0.301 -6.456 1.00 0.00 C ATOM 787 O VAL A 48 2.129 1.521 -6.468 1.00 0.00 O ATOM 788 CB VAL A 48 0.603 0.107 -4.370 1.00 0.00 C ATOM 789 CG1 VAL A 48 -0.676 -0.074 -5.175 1.00 0.00 C ATOM 790 CG2 VAL A 48 0.478 -0.559 -3.007 1.00 0.00 C ATOM 0 H VAL A 48 3.503 0.542 -4.392 1.00 0.00 H new ATOM 0 HA VAL A 48 1.646 -1.511 -5.342 1.00 0.00 H new ATOM 0 HB VAL A 48 0.760 1.175 -4.217 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.519 0.329 -4.614 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.586 0.454 -6.124 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.840 -1.135 -5.364 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.384 -0.150 -2.480 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.348 -1.633 -3.138 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.381 -0.371 -2.426 1.00 0.00 H new ATOM 800 N GLU A 49 1.914 -0.433 -7.562 1.00 0.00 N ATOM 801 CA GLU A 49 2.046 0.167 -8.885 1.00 0.00 C ATOM 802 C GLU A 49 0.697 0.653 -9.402 1.00 0.00 C ATOM 803 O GLU A 49 -0.119 -0.138 -9.877 1.00 0.00 O ATOM 804 CB GLU A 49 2.649 -0.839 -9.867 1.00 0.00 C ATOM 805 CG GLU A 49 3.366 -0.190 -11.040 1.00 0.00 C ATOM 806 CD GLU A 49 2.668 -0.439 -12.363 1.00 0.00 C ATOM 807 OE1 GLU A 49 2.682 -1.596 -12.834 1.00 0.00 O ATOM 808 OE2 GLU A 49 2.106 0.523 -12.928 1.00 0.00 O ATOM 0 H GLU A 49 1.781 -1.444 -7.569 1.00 0.00 H new ATOM 0 HA GLU A 49 2.712 1.026 -8.800 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.350 -1.480 -9.333 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.856 -1.482 -10.248 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.437 0.884 -10.868 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.385 -0.572 -11.094 1.00 0.00 H new ATOM 815 N MET A 50 0.468 1.959 -9.310 1.00 0.00 N ATOM 816 CA MET A 50 -0.784 2.551 -9.769 1.00 0.00 C ATOM 817 C MET A 50 -0.520 3.754 -10.668 1.00 0.00 C ATOM 818 O MET A 50 0.527 4.394 -10.575 1.00 0.00 O ATOM 819 CB MET A 50 -1.643 2.968 -8.575 1.00 0.00 C ATOM 820 CG MET A 50 -2.273 1.796 -7.840 1.00 0.00 C ATOM 821 SD MET A 50 -3.823 2.238 -7.030 1.00 0.00 S ATOM 822 CE MET A 50 -3.291 3.607 -6.004 1.00 0.00 C ATOM 0 H MET A 50 1.133 2.628 -8.922 1.00 0.00 H new ATOM 0 HA MET A 50 -1.321 1.800 -10.348 1.00 0.00 H new ATOM 0 HB2 MET A 50 -1.028 3.536 -7.877 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.432 3.636 -8.921 1.00 0.00 H new ATOM 0 HG2 MET A 50 -2.454 0.985 -8.545 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.572 1.420 -7.095 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.153 4.036 -5.493 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.572 3.251 -5.266 1.00 0.00 H new ATOM 0 HE3 MET A 50 -2.823 4.369 -6.628 1.00 0.00 H new ATOM 832 N GLN A 51 -1.478 4.056 -11.540 1.00 0.00 N ATOM 833 CA GLN A 51 -1.350 5.183 -12.458 1.00 0.00 C ATOM 834 C GLN A 51 -1.281 6.502 -11.694 1.00 0.00 C ATOM 835 O GLN A 51 -1.858 6.636 -10.615 1.00 0.00 O ATOM 836 CB GLN A 51 -2.525 5.207 -13.437 1.00 0.00 C ATOM 837 CG GLN A 51 -3.883 5.110 -12.760 1.00 0.00 C ATOM 838 CD GLN A 51 -4.766 4.040 -13.372 1.00 0.00 C ATOM 839 OE1 GLN A 51 -5.403 4.258 -14.402 1.00 0.00 O ATOM 840 NE2 GLN A 51 -4.807 2.875 -12.737 1.00 0.00 N ATOM 0 H GLN A 51 -2.351 3.536 -11.630 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.423 5.060 -13.018 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.483 6.128 -14.019 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.419 4.381 -14.140 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.742 4.897 -11.700 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.388 6.074 -12.827 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.262 2.739 -11.886 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.383 2.116 -13.100 1.00 0.00 H new ATOM 849 N GLU A 52 -0.572 7.472 -12.262 1.00 0.00 N ATOM 850 CA GLU A 52 -0.425 8.783 -11.638 1.00 0.00 C ATOM 851 C GLU A 52 -1.787 9.415 -11.360 1.00 0.00 C ATOM 852 O GLU A 52 -1.950 10.162 -10.395 1.00 0.00 O ATOM 853 CB GLU A 52 0.403 9.706 -12.532 1.00 0.00 C ATOM 854 CG GLU A 52 1.904 9.520 -12.376 1.00 0.00 C ATOM 855 CD GLU A 52 2.592 10.756 -11.829 1.00 0.00 C ATOM 856 OE1 GLU A 52 2.323 11.861 -12.343 1.00 0.00 O ATOM 857 OE2 GLU A 52 3.401 10.617 -10.888 1.00 0.00 O ATOM 0 H GLU A 52 -0.089 7.375 -13.155 1.00 0.00 H new ATOM 0 HA GLU A 52 0.091 8.646 -10.688 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.130 9.531 -13.573 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.148 10.741 -12.306 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.095 8.678 -11.710 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.337 9.266 -13.343 1.00 0.00 H new ATOM 864 N GLU A 53 -2.760 9.112 -12.213 1.00 0.00 N ATOM 865 CA GLU A 53 -4.106 9.651 -12.058 1.00 0.00 C ATOM 866 C GLU A 53 -4.741 9.170 -10.758 1.00 0.00 C ATOM 867 O GLU A 53 -5.500 9.899 -10.120 1.00 0.00 O ATOM 868 CB GLU A 53 -4.980 9.247 -13.247 1.00 0.00 C ATOM 869 CG GLU A 53 -4.836 10.166 -14.448 1.00 0.00 C ATOM 870 CD GLU A 53 -3.938 9.585 -15.523 1.00 0.00 C ATOM 871 OE1 GLU A 53 -3.868 8.343 -15.631 1.00 0.00 O ATOM 872 OE2 GLU A 53 -3.307 10.373 -16.258 1.00 0.00 O ATOM 0 H GLU A 53 -2.642 8.497 -13.018 1.00 0.00 H new ATOM 0 HA GLU A 53 -4.032 10.738 -12.023 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.725 8.230 -13.546 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -6.024 9.235 -12.933 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.821 10.363 -14.870 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.432 11.124 -14.121 1.00 0.00 H new ATOM 879 N SER A 54 -4.426 7.938 -10.373 1.00 0.00 N ATOM 880 CA SER A 54 -4.967 7.358 -9.150 1.00 0.00 C ATOM 881 C SER A 54 -4.062 7.653 -7.959 1.00 0.00 C ATOM 882 O SER A 54 -4.538 7.928 -6.858 1.00 0.00 O ATOM 883 CB SER A 54 -5.141 5.847 -9.311 1.00 0.00 C ATOM 884 OG SER A 54 -5.924 5.308 -8.261 1.00 0.00 O ATOM 0 H SER A 54 -3.799 7.322 -10.890 1.00 0.00 H new ATOM 0 HA SER A 54 -5.940 7.812 -8.963 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.615 5.633 -10.269 1.00 0.00 H new ATOM 0 HB3 SER A 54 -4.164 5.365 -9.324 1.00 0.00 H new ATOM 0 HG SER A 54 -5.890 4.329 -8.297 1.00 0.00 H new ATOM 890 N VAL A 55 -2.753 7.592 -8.186 1.00 0.00 N ATOM 891 CA VAL A 55 -1.779 7.849 -7.131 1.00 0.00 C ATOM 892 C VAL A 55 -2.013 9.208 -6.477 1.00 0.00 C ATOM 893 O VAL A 55 -2.034 9.322 -5.251 1.00 0.00 O ATOM 894 CB VAL A 55 -0.337 7.796 -7.672 1.00 0.00 C ATOM 895 CG1 VAL A 55 0.665 7.863 -6.530 1.00 0.00 C ATOM 896 CG2 VAL A 55 -0.123 6.540 -8.507 1.00 0.00 C ATOM 0 H VAL A 55 -2.342 7.367 -9.092 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.911 7.065 -6.386 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.179 8.662 -8.315 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.678 7.824 -6.932 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.528 8.794 -5.980 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.508 7.019 -5.859 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.901 6.521 -8.880 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.301 5.659 -7.891 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.816 6.540 -9.349 1.00 0.00 H new ATOM 906 N SER A 56 -2.186 10.236 -7.302 1.00 0.00 N ATOM 907 CA SER A 56 -2.415 11.590 -6.803 1.00 0.00 C ATOM 908 C SER A 56 -3.561 11.620 -5.794 1.00 0.00 C ATOM 909 O SER A 56 -3.359 11.934 -4.621 1.00 0.00 O ATOM 910 CB SER A 56 -2.721 12.537 -7.965 1.00 0.00 C ATOM 911 OG SER A 56 -1.551 12.826 -8.711 1.00 0.00 O ATOM 0 H SER A 56 -2.172 10.159 -8.319 1.00 0.00 H new ATOM 0 HA SER A 56 -1.507 11.920 -6.299 1.00 0.00 H new ATOM 0 HB2 SER A 56 -3.470 12.087 -8.617 1.00 0.00 H new ATOM 0 HB3 SER A 56 -3.148 13.463 -7.580 1.00 0.00 H new ATOM 0 HG SER A 56 -1.399 12.116 -9.370 1.00 0.00 H new ATOM 917 N GLU A 57 -4.761 11.292 -6.260 1.00 0.00 N ATOM 918 CA GLU A 57 -5.938 11.282 -5.400 1.00 0.00 C ATOM 919 C GLU A 57 -5.823 10.202 -4.328 1.00 0.00 C ATOM 920 O GLU A 57 -6.412 10.316 -3.252 1.00 0.00 O ATOM 921 CB GLU A 57 -7.201 11.057 -6.233 1.00 0.00 C ATOM 922 CG GLU A 57 -8.424 11.784 -5.695 1.00 0.00 C ATOM 923 CD GLU A 57 -9.450 10.839 -5.100 1.00 0.00 C ATOM 924 OE1 GLU A 57 -9.053 9.947 -4.321 1.00 0.00 O ATOM 925 OE2 GLU A 57 -10.648 10.991 -5.414 1.00 0.00 O ATOM 0 H GLU A 57 -4.944 11.030 -7.229 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.003 12.251 -4.906 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.015 11.385 -7.256 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.413 9.989 -6.274 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.111 12.500 -4.935 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.886 12.355 -6.500 1.00 0.00 H new ATOM 932 N ALA A 58 -5.066 9.151 -4.628 1.00 0.00 N ATOM 933 CA ALA A 58 -4.880 8.050 -3.692 1.00 0.00 C ATOM 934 C ALA A 58 -4.160 8.513 -2.429 1.00 0.00 C ATOM 935 O ALA A 58 -4.493 8.089 -1.328 1.00 0.00 O ATOM 936 CB ALA A 58 -4.109 6.918 -4.353 1.00 0.00 C ATOM 0 H ALA A 58 -4.571 9.040 -5.513 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.866 7.685 -3.403 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.978 6.103 -3.641 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.663 6.558 -5.220 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.132 7.281 -4.673 1.00 0.00 H new ATOM 942 N ILE A 59 -3.173 9.383 -2.598 1.00 0.00 N ATOM 943 CA ILE A 59 -2.403 9.906 -1.473 1.00 0.00 C ATOM 944 C ILE A 59 -3.033 11.181 -0.914 1.00 0.00 C ATOM 945 O ILE A 59 -2.596 11.702 0.114 1.00 0.00 O ATOM 946 CB ILE A 59 -0.944 10.197 -1.890 1.00 0.00 C ATOM 947 CG1 ILE A 59 -0.258 8.909 -2.350 1.00 0.00 C ATOM 948 CG2 ILE A 59 -0.163 10.837 -0.749 1.00 0.00 C ATOM 949 CD1 ILE A 59 0.543 9.075 -3.623 1.00 0.00 C ATOM 0 H ILE A 59 -2.884 9.744 -3.507 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.408 9.141 -0.697 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.963 10.903 -2.721 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.402 8.555 -1.558 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -1.014 8.139 -2.503 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.860 11.030 -1.072 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.638 11.776 -0.465 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.152 10.163 0.107 1.00 0.00 H new ATOM 0 HD11 ILE A 59 1.002 8.123 -3.891 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.116 9.399 -4.428 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.321 9.822 -3.468 1.00 0.00 H new ATOM 961 N ALA A 60 -4.051 11.688 -1.599 1.00 0.00 N ATOM 962 CA ALA A 60 -4.724 12.908 -1.176 1.00 0.00 C ATOM 963 C ALA A 60 -5.886 12.620 -0.230 1.00 0.00 C ATOM 964 O ALA A 60 -6.053 13.295 0.786 1.00 0.00 O ATOM 965 CB ALA A 60 -5.223 13.670 -2.391 1.00 0.00 C ATOM 0 H ALA A 60 -4.428 11.272 -2.451 1.00 0.00 H new ATOM 0 HA ALA A 60 -3.999 13.514 -0.633 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -5.726 14.582 -2.068 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.379 13.928 -3.030 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.923 13.048 -2.948 1.00 0.00 H new ATOM 971 N LYS A 61 -6.695 11.625 -0.574 1.00 0.00 N ATOM 972 CA LYS A 61 -7.849 11.264 0.239 1.00 0.00 C ATOM 973 C LYS A 61 -7.493 10.201 1.271 1.00 0.00 C ATOM 974 O LYS A 61 -8.156 10.076 2.300 1.00 0.00 O ATOM 975 CB LYS A 61 -8.990 10.767 -0.651 1.00 0.00 C ATOM 976 CG LYS A 61 -10.045 11.823 -0.935 1.00 0.00 C ATOM 977 CD LYS A 61 -9.433 13.073 -1.547 1.00 0.00 C ATOM 978 CE LYS A 61 -10.479 14.154 -1.767 1.00 0.00 C ATOM 979 NZ LYS A 61 -10.926 14.214 -3.187 1.00 0.00 N ATOM 0 H LYS A 61 -6.573 11.054 -1.410 1.00 0.00 H new ATOM 0 HA LYS A 61 -8.172 12.158 0.773 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.576 10.416 -1.596 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.465 9.910 -0.173 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -10.796 11.416 -1.612 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.558 12.084 -0.009 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.648 13.453 -0.893 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.963 12.821 -2.498 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.338 13.964 -1.124 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.069 15.121 -1.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.639 14.963 -3.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.111 14.421 -3.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.341 13.300 -3.459 1.00 0.00 H new ATOM 993 N LEU A 62 -6.460 9.424 0.979 1.00 0.00 N ATOM 994 CA LEU A 62 -6.038 8.356 1.873 1.00 0.00 C ATOM 995 C LEU A 62 -5.005 8.838 2.888 1.00 0.00 C ATOM 996 O LEU A 62 -5.313 9.007 4.068 1.00 0.00 O ATOM 997 CB LEU A 62 -5.470 7.203 1.052 1.00 0.00 C ATOM 998 CG LEU A 62 -6.400 6.674 -0.039 1.00 0.00 C ATOM 999 CD1 LEU A 62 -5.731 5.547 -0.810 1.00 0.00 C ATOM 1000 CD2 LEU A 62 -7.716 6.204 0.564 1.00 0.00 C ATOM 0 H LEU A 62 -5.900 9.513 0.131 1.00 0.00 H new ATOM 0 HA LEU A 62 -6.910 8.019 2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.539 7.529 0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.221 6.384 1.726 1.00 0.00 H new ATOM 0 HG LEU A 62 -6.612 7.486 -0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -6.408 5.183 -1.583 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.816 5.916 -1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.488 4.733 -0.127 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.366 5.831 -0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -7.523 5.407 1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -8.203 7.038 1.070 1.00 0.00 H new ATOM 1012 N ASP A 63 -3.774 9.047 2.428 1.00 0.00 N ATOM 1013 CA ASP A 63 -2.692 9.496 3.299 1.00 0.00 C ATOM 1014 C ASP A 63 -3.105 10.725 4.109 1.00 0.00 C ATOM 1015 O ASP A 63 -3.803 11.607 3.609 1.00 0.00 O ATOM 1016 CB ASP A 63 -1.433 9.778 2.464 1.00 0.00 C ATOM 1017 CG ASP A 63 -0.869 11.175 2.663 1.00 0.00 C ATOM 1018 OD1 ASP A 63 -1.573 12.153 2.332 1.00 0.00 O ATOM 1019 OD2 ASP A 63 0.276 11.290 3.150 1.00 0.00 O ATOM 0 H ASP A 63 -3.501 8.912 1.455 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.468 8.702 4.011 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.667 9.046 2.720 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.668 9.638 1.409 1.00 0.00 H new ATOM 1024 N ASN A 64 -2.662 10.772 5.362 1.00 0.00 N ATOM 1025 CA ASN A 64 -2.976 11.887 6.246 1.00 0.00 C ATOM 1026 C ASN A 64 -2.320 11.700 7.611 1.00 0.00 C ATOM 1027 O ASN A 64 -1.834 12.657 8.214 1.00 0.00 O ATOM 1028 CB ASN A 64 -4.492 12.029 6.406 1.00 0.00 C ATOM 1029 CG ASN A 64 -5.021 13.312 5.798 1.00 0.00 C ATOM 1030 OD1 ASN A 64 -5.902 13.289 4.939 1.00 0.00 O ATOM 1031 ND2 ASN A 64 -4.483 14.443 6.240 1.00 0.00 N ATOM 0 H ASN A 64 -2.083 10.048 5.788 1.00 0.00 H new ATOM 0 HA ASN A 64 -2.581 12.798 5.796 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -4.985 11.178 5.937 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -4.747 12.001 7.465 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.798 15.338 5.866 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -3.755 14.417 6.954 1.00 0.00 H new ATOM 1038 N THR A 65 -2.308 10.461 8.092 1.00 0.00 N ATOM 1039 CA THR A 65 -1.711 10.149 9.386 1.00 0.00 C ATOM 1040 C THR A 65 -1.376 8.664 9.487 1.00 0.00 C ATOM 1041 O THR A 65 -1.527 7.916 8.520 1.00 0.00 O ATOM 1042 CB THR A 65 -2.659 10.549 10.518 1.00 0.00 C ATOM 1043 OG1 THR A 65 -4.002 10.556 10.068 1.00 0.00 O ATOM 1044 CG2 THR A 65 -2.361 11.917 11.093 1.00 0.00 C ATOM 0 H THR A 65 -2.705 9.657 7.606 1.00 0.00 H new ATOM 0 HA THR A 65 -0.786 10.718 9.478 1.00 0.00 H new ATOM 0 HB THR A 65 -2.507 9.804 11.299 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.593 10.812 10.806 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.070 12.139 11.891 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.347 11.930 11.494 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.451 12.669 10.309 1.00 0.00 H new ATOM 1052 N ASP A 66 -0.920 8.244 10.662 1.00 0.00 N ATOM 1053 CA ASP A 66 -0.563 6.848 10.890 1.00 0.00 C ATOM 1054 C ASP A 66 -1.633 6.141 11.715 1.00 0.00 C ATOM 1055 O ASP A 66 -1.778 6.394 12.911 1.00 0.00 O ATOM 1056 CB ASP A 66 0.790 6.755 11.597 1.00 0.00 C ATOM 1057 CG ASP A 66 1.935 6.530 10.628 1.00 0.00 C ATOM 1058 OD1 ASP A 66 1.759 6.815 9.426 1.00 0.00 O ATOM 1059 OD2 ASP A 66 3.006 6.068 11.073 1.00 0.00 O ATOM 0 H ASP A 66 -0.789 8.850 11.472 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.492 6.353 9.921 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.967 7.673 12.158 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.764 5.940 12.320 1.00 0.00 H new ATOM 1064 N PHE A 67 -2.381 5.253 11.068 1.00 0.00 N ATOM 1065 CA PHE A 67 -3.438 4.507 11.741 1.00 0.00 C ATOM 1066 C PHE A 67 -3.240 3.004 11.568 1.00 0.00 C ATOM 1067 O PHE A 67 -2.188 2.555 11.114 1.00 0.00 O ATOM 1068 CB PHE A 67 -4.808 4.922 11.196 1.00 0.00 C ATOM 1069 CG PHE A 67 -5.653 5.657 12.198 1.00 0.00 C ATOM 1070 CD1 PHE A 67 -6.502 4.967 13.049 1.00 0.00 C ATOM 1071 CD2 PHE A 67 -5.597 7.039 12.288 1.00 0.00 C ATOM 1072 CE1 PHE A 67 -7.279 5.642 13.971 1.00 0.00 C ATOM 1073 CE2 PHE A 67 -6.373 7.719 13.208 1.00 0.00 C ATOM 1074 CZ PHE A 67 -7.215 7.019 14.050 1.00 0.00 C ATOM 0 H PHE A 67 -2.275 5.032 10.078 1.00 0.00 H new ATOM 0 HA PHE A 67 -3.392 4.739 12.805 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.665 5.554 10.319 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -5.343 4.032 10.864 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -6.557 3.890 12.991 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.940 7.591 11.632 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -7.936 5.093 14.629 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -6.321 8.796 13.268 1.00 0.00 H new ATOM 0 HZ PHE A 67 -7.823 7.548 14.769 1.00 0.00 H new ATOM 1084 N MET A 68 -4.258 2.232 11.933 1.00 0.00 N ATOM 1085 CA MET A 68 -4.196 0.780 11.818 1.00 0.00 C ATOM 1086 C MET A 68 -4.822 0.311 10.507 1.00 0.00 C ATOM 1087 O MET A 68 -5.588 -0.652 10.481 1.00 0.00 O ATOM 1088 CB MET A 68 -4.907 0.122 13.002 1.00 0.00 C ATOM 1089 CG MET A 68 -4.173 0.290 14.322 1.00 0.00 C ATOM 1090 SD MET A 68 -3.192 -1.158 14.759 1.00 0.00 S ATOM 1091 CE MET A 68 -3.501 -1.255 16.520 1.00 0.00 C ATOM 0 H MET A 68 -5.136 2.588 12.311 1.00 0.00 H new ATOM 0 HA MET A 68 -3.147 0.484 11.825 1.00 0.00 H new ATOM 0 HB2 MET A 68 -5.907 0.545 13.095 1.00 0.00 H new ATOM 0 HB3 MET A 68 -5.029 -0.941 12.796 1.00 0.00 H new ATOM 0 HG2 MET A 68 -3.521 1.161 14.263 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.896 0.486 15.113 1.00 0.00 H new ATOM 0 HE1 MET A 68 -2.961 -2.104 16.938 1.00 0.00 H new ATOM 0 HE2 MET A 68 -3.162 -0.337 17.000 1.00 0.00 H new ATOM 0 HE3 MET A 68 -4.569 -1.383 16.695 1.00 0.00 H new ATOM 1101 N GLY A 69 -4.491 1.000 9.421 1.00 0.00 N ATOM 1102 CA GLY A 69 -5.029 0.641 8.122 1.00 0.00 C ATOM 1103 C GLY A 69 -6.223 1.490 7.734 1.00 0.00 C ATOM 1104 O GLY A 69 -7.135 1.018 7.055 1.00 0.00 O ATOM 0 H GLY A 69 -3.860 1.801 9.417 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -4.250 0.749 7.367 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.321 -0.409 8.131 1.00 0.00 H new ATOM 1108 N ARG A 70 -6.220 2.746 8.169 1.00 0.00 N ATOM 1109 CA ARG A 70 -7.312 3.664 7.864 1.00 0.00 C ATOM 1110 C ARG A 70 -6.854 4.757 6.904 1.00 0.00 C ATOM 1111 O ARG A 70 -7.620 5.213 6.056 1.00 0.00 O ATOM 1112 CB ARG A 70 -7.853 4.290 9.151 1.00 0.00 C ATOM 1113 CG ARG A 70 -9.373 4.349 9.206 1.00 0.00 C ATOM 1114 CD ARG A 70 -9.919 3.633 10.431 1.00 0.00 C ATOM 1115 NE ARG A 70 -11.018 4.369 11.051 1.00 0.00 N ATOM 1116 CZ ARG A 70 -11.841 3.849 11.959 1.00 0.00 C ATOM 1117 NH1 ARG A 70 -11.696 2.590 12.352 1.00 0.00 N ATOM 1118 NH2 ARG A 70 -12.812 4.590 12.474 1.00 0.00 N ATOM 0 H ARG A 70 -5.474 3.151 8.734 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.108 3.096 7.382 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.489 3.718 10.005 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.454 5.300 9.250 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -9.697 5.390 9.218 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -9.788 3.897 8.305 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -10.264 2.639 10.146 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.118 3.497 11.158 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.163 5.339 10.772 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.951 2.015 11.958 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.330 2.197 13.048 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.928 5.558 12.175 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -13.443 4.192 13.170 1.00 0.00 H new ATOM 1132 N THR A 71 -5.600 5.173 7.044 1.00 0.00 N ATOM 1133 CA THR A 71 -5.040 6.214 6.188 1.00 0.00 C ATOM 1134 C THR A 71 -3.588 5.908 5.834 1.00 0.00 C ATOM 1135 O THR A 71 -3.218 5.876 4.659 1.00 0.00 O ATOM 1136 CB THR A 71 -5.135 7.579 6.875 1.00 0.00 C ATOM 1137 OG1 THR A 71 -4.262 8.512 6.263 1.00 0.00 O ATOM 1138 CG2 THR A 71 -4.796 7.536 8.351 1.00 0.00 C ATOM 0 H THR A 71 -4.952 4.806 7.741 1.00 0.00 H new ATOM 0 HA THR A 71 -5.621 6.240 5.266 1.00 0.00 H new ATOM 0 HB THR A 71 -6.177 7.881 6.767 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.417 8.519 5.295 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.884 8.537 8.774 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.485 6.864 8.863 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.775 7.176 8.480 1.00 0.00 H new ATOM 1146 N ILE A 72 -2.768 5.684 6.855 1.00 0.00 N ATOM 1147 CA ILE A 72 -1.356 5.380 6.650 1.00 0.00 C ATOM 1148 C ILE A 72 -0.652 6.518 5.917 1.00 0.00 C ATOM 1149 O ILE A 72 -1.292 7.332 5.254 1.00 0.00 O ATOM 1150 CB ILE A 72 -1.171 4.078 5.849 1.00 0.00 C ATOM 1151 CG1 ILE A 72 -2.036 2.963 6.439 1.00 0.00 C ATOM 1152 CG2 ILE A 72 0.294 3.668 5.833 1.00 0.00 C ATOM 1153 CD1 ILE A 72 -2.134 1.740 5.553 1.00 0.00 C ATOM 0 H ILE A 72 -3.057 5.707 7.833 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.912 5.255 7.638 1.00 0.00 H new ATOM 0 HB ILE A 72 -1.489 4.253 4.821 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.626 2.669 7.405 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.038 3.350 6.622 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.408 2.746 5.263 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.887 4.456 5.370 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.638 3.507 6.855 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.762 0.991 6.035 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.572 2.019 4.595 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.138 1.328 5.390 1.00 0.00 H new ATOM 1165 N ARG A 73 0.670 6.570 6.043 1.00 0.00 N ATOM 1166 CA ARG A 73 1.460 7.610 5.394 1.00 0.00 C ATOM 1167 C ARG A 73 1.843 7.195 3.974 1.00 0.00 C ATOM 1168 O ARG A 73 3.024 7.077 3.647 1.00 0.00 O ATOM 1169 CB ARG A 73 2.719 7.908 6.213 1.00 0.00 C ATOM 1170 CG ARG A 73 3.081 9.383 6.259 1.00 0.00 C ATOM 1171 CD ARG A 73 3.993 9.770 5.106 1.00 0.00 C ATOM 1172 NE ARG A 73 5.392 9.858 5.521 1.00 0.00 N ATOM 1173 CZ ARG A 73 5.878 10.829 6.291 1.00 0.00 C ATOM 1174 NH1 ARG A 73 5.081 11.794 6.734 1.00 0.00 N ATOM 1175 NH2 ARG A 73 7.162 10.835 6.619 1.00 0.00 N ATOM 0 H ARG A 73 1.217 5.904 6.589 1.00 0.00 H new ATOM 0 HA ARG A 73 0.853 8.513 5.336 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.574 7.546 7.231 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.556 7.350 5.793 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.172 9.983 6.222 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.573 9.608 7.205 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.898 9.036 4.306 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.675 10.729 4.698 1.00 0.00 H new ATOM 0 HE ARG A 73 6.034 9.132 5.202 1.00 0.00 H new ATOM 0 HH11 ARG A 73 4.092 11.793 6.485 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.458 12.536 7.324 1.00 0.00 H new ATOM 0 HH21 ARG A 73 7.778 10.095 6.281 1.00 0.00 H new ATOM 0 HH22 ARG A 73 7.534 11.579 7.209 1.00 0.00 H new ATOM 1189 N VAL A 74 0.836 6.976 3.136 1.00 0.00 N ATOM 1190 CA VAL A 74 1.068 6.574 1.753 1.00 0.00 C ATOM 1191 C VAL A 74 1.599 7.741 0.923 1.00 0.00 C ATOM 1192 O VAL A 74 1.159 8.880 1.083 1.00 0.00 O ATOM 1193 CB VAL A 74 -0.222 6.033 1.102 1.00 0.00 C ATOM 1194 CG1 VAL A 74 -1.298 7.108 1.067 1.00 0.00 C ATOM 1195 CG2 VAL A 74 0.064 5.507 -0.297 1.00 0.00 C ATOM 0 H VAL A 74 -0.148 7.070 3.389 1.00 0.00 H new ATOM 0 HA VAL A 74 1.814 5.780 1.773 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.591 5.205 1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.199 6.706 0.604 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.525 7.429 2.084 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.942 7.960 0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.858 5.130 -0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.460 6.313 -0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.795 4.701 -0.240 1.00 0.00 H new ATOM 1205 N THR A 75 2.545 7.447 0.037 1.00 0.00 N ATOM 1206 CA THR A 75 3.135 8.470 -0.818 1.00 0.00 C ATOM 1207 C THR A 75 3.889 7.836 -1.983 1.00 0.00 C ATOM 1208 O THR A 75 4.403 6.723 -1.871 1.00 0.00 O ATOM 1209 CB THR A 75 4.081 9.358 -0.008 1.00 0.00 C ATOM 1210 OG1 THR A 75 4.736 10.291 -0.848 1.00 0.00 O ATOM 1211 CG2 THR A 75 5.146 8.579 0.733 1.00 0.00 C ATOM 0 H THR A 75 2.919 6.509 -0.107 1.00 0.00 H new ATOM 0 HA THR A 75 2.328 9.082 -1.220 1.00 0.00 H new ATOM 0 HB THR A 75 3.449 9.862 0.723 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.335 10.851 -0.311 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.782 9.269 1.287 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.672 7.885 1.428 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.751 8.021 0.019 1.00 0.00 H new ATOM 1219 N GLU A 76 3.950 8.552 -3.101 1.00 0.00 N ATOM 1220 CA GLU A 76 4.641 8.061 -4.287 1.00 0.00 C ATOM 1221 C GLU A 76 6.150 8.044 -4.070 1.00 0.00 C ATOM 1222 O GLU A 76 6.743 9.051 -3.682 1.00 0.00 O ATOM 1223 CB GLU A 76 4.297 8.928 -5.499 1.00 0.00 C ATOM 1224 CG GLU A 76 4.535 10.412 -5.271 1.00 0.00 C ATOM 1225 CD GLU A 76 4.463 11.218 -6.553 1.00 0.00 C ATOM 1226 OE1 GLU A 76 3.338 11.518 -7.004 1.00 0.00 O ATOM 1227 OE2 GLU A 76 5.533 11.549 -7.107 1.00 0.00 O ATOM 0 H GLU A 76 3.529 9.475 -3.210 1.00 0.00 H new ATOM 0 HA GLU A 76 4.308 7.040 -4.474 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.892 8.600 -6.351 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.251 8.772 -5.762 1.00 0.00 H new ATOM 0 HG2 GLU A 76 3.795 10.791 -4.566 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.514 10.553 -4.812 1.00 0.00 H new ATOM 1234 N ALA A 77 6.767 6.894 -4.323 1.00 0.00 N ATOM 1235 CA ALA A 77 8.207 6.746 -4.155 1.00 0.00 C ATOM 1236 C ALA A 77 8.968 7.598 -5.165 1.00 0.00 C ATOM 1237 O ALA A 77 10.198 7.412 -5.287 1.00 0.00 O ATOM 1238 CB ALA A 77 8.606 5.284 -4.288 1.00 0.00 C ATOM 0 H ALA A 77 6.291 6.051 -4.645 1.00 0.00 H new ATOM 0 HA ALA A 77 8.469 7.093 -3.156 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.684 5.188 -4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.096 4.697 -3.524 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.324 4.918 -5.275 1.00 0.00 H new