USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 714 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 58 GLN : amide:sc= -4.39! C(o=-5.2!,f=-12!) USER MOD Set 1.2: A 59 SER OG : rot 42:sc= -0.785 USER MOD Set 2.1: A 17 HIS : no HE2:sc= -17.2! C(o=-18!,f=-20!) USER MOD Set 2.2: A 30 TYR OH : rot 180:sc= -0.829 USER MOD Single : A 1 LYS N :NH3+ 144:sc= -0.135 (180deg=-1.22!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.0333 X(o=-0.033,f=-0.042) USER MOD Single : A 9 GLN : amide:sc= -0.469 K(o=-0.47,f=-3.5!) USER MOD Single : A 12 SER OG : rot 69:sc= 0.787 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.027) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.256 USER MOD Single : A 33 ASN : amide:sc= -2.07! C(o=-2.1!,f=-3.7!) USER MOD Single : A 40 CYS SG : rot 68:sc= -1.69! USER MOD Single : A 42 THR OG1 : rot -127:sc= 1.62 USER MOD Single : A 47 TYR OH : rot -48:sc= -7.03! USER MOD Single : A 55 GLN : amide:sc= -0.312 K(o=-0.31,f=-1.1) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.767 X(o=-0.77,f=-0.64) USER MOD Single : A 63 THR OG1 : rot -40:sc= -0.506 USER MOD Single : A 65 ASN : amide:sc=-0.00553 X(o=-0.0055,f=-0.0055) USER MOD Single : A 69 SER OG : rot 171:sc= -2.72! USER MOD Single : A 72 GLN : amide:sc= -0.648 X(o=-0.65,f=-0.39) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 71:sc= 0.03 USER MOD Single : A 89 SER OG : rot 180:sc= -0.459 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.443 2.759 10.904 1.00 0.00 N ATOM 2 CA LYS A 1 -7.368 3.002 9.435 1.00 0.00 C ATOM 3 C LYS A 1 -6.108 3.804 9.117 1.00 0.00 C ATOM 4 O LYS A 1 -6.128 4.738 8.339 1.00 0.00 O ATOM 5 CB LYS A 1 -8.599 3.786 8.983 1.00 0.00 C ATOM 6 CG LYS A 1 -8.690 5.087 9.782 1.00 0.00 C ATOM 7 CD LYS A 1 -10.051 5.166 10.477 1.00 0.00 C ATOM 8 CE LYS A 1 -10.081 6.380 11.406 1.00 0.00 C ATOM 9 NZ LYS A 1 -10.903 6.064 12.608 1.00 0.00 N ATOM 0 H1 LYS A 1 -8.436 2.797 11.212 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.048 1.822 11.121 1.00 0.00 H new ATOM 0 H3 LYS A 1 -6.897 3.489 11.405 1.00 0.00 H new ATOM 0 HA LYS A 1 -7.334 2.047 8.910 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -8.534 4.004 7.917 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -9.499 3.190 9.133 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -7.890 5.129 10.521 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.558 5.943 9.120 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -10.846 5.243 9.735 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -10.234 4.255 11.046 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -9.068 6.648 11.705 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -10.497 7.241 10.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -10.924 6.889 13.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -11.872 5.828 12.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -10.487 5.254 13.110 1.00 0.00 H new ATOM 25 N LYS A 2 -5.011 3.439 9.711 1.00 0.00 N ATOM 26 CA LYS A 2 -3.742 4.170 9.448 1.00 0.00 C ATOM 27 C LYS A 2 -2.709 3.200 8.886 1.00 0.00 C ATOM 28 O LYS A 2 -2.630 2.057 9.290 1.00 0.00 O ATOM 29 CB LYS A 2 -3.208 4.760 10.750 1.00 0.00 C ATOM 30 CG LYS A 2 -3.146 6.284 10.642 1.00 0.00 C ATOM 31 CD LYS A 2 -1.983 6.806 11.489 1.00 0.00 C ATOM 32 CE LYS A 2 -0.660 6.531 10.768 1.00 0.00 C ATOM 33 NZ LYS A 2 0.439 7.274 11.448 1.00 0.00 N ATOM 0 H LYS A 2 -4.936 2.664 10.370 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.931 4.971 8.733 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.851 4.471 11.581 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -2.216 4.361 10.961 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -3.015 6.581 9.601 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -4.084 6.722 10.983 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.098 7.876 11.664 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.985 6.322 12.465 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.447 5.462 10.771 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.731 6.839 9.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 1.338 7.088 10.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 0.236 8.294 11.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.511 6.959 12.437 1.00 0.00 H new ATOM 47 N ALA A 3 -1.915 3.645 7.958 1.00 0.00 N ATOM 48 CA ALA A 3 -0.884 2.744 7.374 1.00 0.00 C ATOM 49 C ALA A 3 0.464 3.462 7.321 1.00 0.00 C ATOM 50 O ALA A 3 0.540 4.642 7.063 1.00 0.00 O ATOM 51 CB ALA A 3 -1.303 2.341 5.959 1.00 0.00 C ATOM 0 H ALA A 3 -1.933 4.591 7.578 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.791 1.854 7.996 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.549 1.681 5.530 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.260 1.821 5.997 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.399 3.233 5.340 1.00 0.00 H new ATOM 57 N VAL A 4 1.530 2.755 7.567 1.00 0.00 N ATOM 58 CA VAL A 4 2.876 3.393 7.529 1.00 0.00 C ATOM 59 C VAL A 4 3.825 2.532 6.691 1.00 0.00 C ATOM 60 O VAL A 4 4.199 1.446 7.086 1.00 0.00 O ATOM 61 CB VAL A 4 3.420 3.510 8.952 1.00 0.00 C ATOM 62 CG1 VAL A 4 4.785 4.204 8.925 1.00 0.00 C ATOM 63 CG2 VAL A 4 2.440 4.326 9.799 1.00 0.00 C ATOM 0 H VAL A 4 1.528 1.760 7.793 1.00 0.00 H new ATOM 0 HA VAL A 4 2.797 4.385 7.084 1.00 0.00 H new ATOM 0 HB VAL A 4 3.535 2.516 9.384 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.171 4.287 9.941 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.478 3.620 8.319 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.678 5.200 8.495 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.823 4.413 10.816 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.327 5.321 9.368 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.471 3.826 9.817 1.00 0.00 H new ATOM 73 N ILE A 5 4.221 3.004 5.538 1.00 0.00 N ATOM 74 CA ILE A 5 5.149 2.198 4.692 1.00 0.00 C ATOM 75 C ILE A 5 6.588 2.631 4.957 1.00 0.00 C ATOM 76 O ILE A 5 7.070 3.601 4.410 1.00 0.00 O ATOM 77 CB ILE A 5 4.819 2.404 3.217 1.00 0.00 C ATOM 78 CG1 ILE A 5 3.310 2.159 3.011 1.00 0.00 C ATOM 79 CG2 ILE A 5 5.664 1.433 2.381 1.00 0.00 C ATOM 80 CD1 ILE A 5 3.050 1.282 1.778 1.00 0.00 C ATOM 0 H ILE A 5 3.945 3.905 5.148 1.00 0.00 H new ATOM 0 HA ILE A 5 5.034 1.143 4.941 1.00 0.00 H new ATOM 0 HB ILE A 5 5.051 3.421 2.900 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.893 1.678 3.896 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.797 3.114 2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.437 1.571 1.324 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.722 1.630 2.554 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.434 0.408 2.671 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.977 1.128 1.661 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.445 1.776 0.890 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.543 0.318 1.906 1.00 0.00 H new ATOM 92 N ASN A 6 7.277 1.916 5.797 1.00 0.00 N ATOM 93 CA ASN A 6 8.682 2.274 6.109 1.00 0.00 C ATOM 94 C ASN A 6 9.612 1.630 5.076 1.00 0.00 C ATOM 95 O ASN A 6 9.840 0.437 5.093 1.00 0.00 O ATOM 96 CB ASN A 6 9.014 1.754 7.505 1.00 0.00 C ATOM 97 CG ASN A 6 8.359 2.655 8.554 1.00 0.00 C ATOM 98 OD1 ASN A 6 8.681 3.822 8.657 1.00 0.00 O ATOM 99 ND2 ASN A 6 7.446 2.158 9.344 1.00 0.00 N ATOM 0 H ASN A 6 6.923 1.093 6.284 1.00 0.00 H new ATOM 0 HA ASN A 6 8.814 3.355 6.077 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.659 0.730 7.617 1.00 0.00 H new ATOM 0 HB3 ASN A 6 10.094 1.735 7.650 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.003 2.749 10.047 1.00 0.00 H new ATOM 0 HD22 ASN A 6 7.175 1.178 9.258 1.00 0.00 H new ATOM 106 N GLY A 7 10.146 2.407 4.171 1.00 0.00 N ATOM 107 CA GLY A 7 11.053 1.833 3.136 1.00 0.00 C ATOM 108 C GLY A 7 12.282 1.214 3.806 1.00 0.00 C ATOM 109 O GLY A 7 12.925 0.341 3.257 1.00 0.00 O ATOM 0 H GLY A 7 9.993 3.413 4.104 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.524 1.076 2.556 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.362 2.611 2.438 1.00 0.00 H new ATOM 113 N GLU A 8 12.616 1.659 4.986 1.00 0.00 N ATOM 114 CA GLU A 8 13.806 1.095 5.684 1.00 0.00 C ATOM 115 C GLU A 8 13.547 -0.369 6.044 1.00 0.00 C ATOM 116 O GLU A 8 14.461 -1.161 6.159 1.00 0.00 O ATOM 117 CB GLU A 8 14.071 1.892 6.963 1.00 0.00 C ATOM 118 CG GLU A 8 14.996 3.070 6.650 1.00 0.00 C ATOM 119 CD GLU A 8 15.856 3.383 7.875 1.00 0.00 C ATOM 120 OE1 GLU A 8 15.463 3.000 8.965 1.00 0.00 O ATOM 121 OE2 GLU A 8 16.895 4.000 7.703 1.00 0.00 O ATOM 0 H GLU A 8 12.117 2.388 5.497 1.00 0.00 H new ATOM 0 HA GLU A 8 14.673 1.158 5.026 1.00 0.00 H new ATOM 0 HB2 GLU A 8 13.131 2.255 7.379 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.526 1.249 7.717 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.632 2.830 5.798 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.407 3.945 6.373 1.00 0.00 H new ATOM 128 N GLN A 9 12.309 -0.735 6.232 1.00 0.00 N ATOM 129 CA GLN A 9 11.993 -2.142 6.596 1.00 0.00 C ATOM 130 C GLN A 9 11.761 -2.973 5.333 1.00 0.00 C ATOM 131 O GLN A 9 12.284 -4.060 5.189 1.00 0.00 O ATOM 132 CB GLN A 9 10.731 -2.159 7.456 1.00 0.00 C ATOM 133 CG GLN A 9 10.948 -1.292 8.696 1.00 0.00 C ATOM 134 CD GLN A 9 11.048 -2.185 9.934 1.00 0.00 C ATOM 135 OE1 GLN A 9 11.020 -3.395 9.829 1.00 0.00 O ATOM 136 NE2 GLN A 9 11.164 -1.635 11.112 1.00 0.00 N ATOM 0 H GLN A 9 11.502 -0.117 6.149 1.00 0.00 H new ATOM 0 HA GLN A 9 12.829 -2.570 7.150 1.00 0.00 H new ATOM 0 HB2 GLN A 9 9.882 -1.786 6.883 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.493 -3.181 7.751 1.00 0.00 H new ATOM 0 HG2 GLN A 9 11.858 -0.703 8.586 1.00 0.00 H new ATOM 0 HG3 GLN A 9 10.124 -0.588 8.809 1.00 0.00 H new ATOM 0 HE21 GLN A 9 11.188 -0.619 11.200 1.00 0.00 H new ATOM 0 HE22 GLN A 9 11.231 -2.221 11.944 1.00 0.00 H new ATOM 145 N ILE A 10 10.968 -2.480 4.425 1.00 0.00 N ATOM 146 CA ILE A 10 10.690 -3.250 3.182 1.00 0.00 C ATOM 147 C ILE A 10 11.978 -3.864 2.641 1.00 0.00 C ATOM 148 O ILE A 10 12.984 -3.202 2.484 1.00 0.00 O ATOM 149 CB ILE A 10 10.088 -2.335 2.115 1.00 0.00 C ATOM 150 CG1 ILE A 10 8.667 -1.949 2.518 1.00 0.00 C ATOM 151 CG2 ILE A 10 10.048 -3.077 0.776 1.00 0.00 C ATOM 152 CD1 ILE A 10 7.776 -3.188 2.502 1.00 0.00 C ATOM 0 H ILE A 10 10.500 -1.576 4.490 1.00 0.00 H new ATOM 0 HA ILE A 10 9.982 -4.043 3.423 1.00 0.00 H new ATOM 0 HB ILE A 10 10.698 -1.436 2.020 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.669 -1.503 3.512 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.275 -1.198 1.832 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.619 -2.428 0.013 1.00 0.00 H new ATOM 0 HG22 ILE A 10 11.060 -3.359 0.486 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.436 -3.974 0.875 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.762 -2.911 2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 10 7.765 -3.615 1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.164 -3.925 3.205 1.00 0.00 H new ATOM 164 N ARG A 11 11.940 -5.130 2.346 1.00 0.00 N ATOM 165 CA ARG A 11 13.131 -5.816 1.802 1.00 0.00 C ATOM 166 C ARG A 11 12.739 -6.540 0.510 1.00 0.00 C ATOM 167 O ARG A 11 13.531 -7.241 -0.087 1.00 0.00 O ATOM 168 CB ARG A 11 13.619 -6.826 2.833 1.00 0.00 C ATOM 169 CG ARG A 11 14.351 -6.088 3.953 1.00 0.00 C ATOM 170 CD ARG A 11 15.208 -7.073 4.748 1.00 0.00 C ATOM 171 NE ARG A 11 15.379 -6.567 6.139 1.00 0.00 N ATOM 172 CZ ARG A 11 15.826 -7.362 7.074 1.00 0.00 C ATOM 173 NH1 ARG A 11 15.058 -8.301 7.555 1.00 0.00 N ATOM 174 NH2 ARG A 11 17.041 -7.215 7.528 1.00 0.00 N ATOM 0 H ARG A 11 11.119 -5.724 2.462 1.00 0.00 H new ATOM 0 HA ARG A 11 13.923 -5.099 1.587 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.776 -7.384 3.240 1.00 0.00 H new ATOM 0 HB3 ARG A 11 14.284 -7.550 2.363 1.00 0.00 H new ATOM 0 HG2 ARG A 11 14.979 -5.302 3.533 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.631 -5.603 4.613 1.00 0.00 H new ATOM 0 HD2 ARG A 11 14.735 -8.055 4.762 1.00 0.00 H new ATOM 0 HD3 ARG A 11 16.180 -7.194 4.271 1.00 0.00 H new ATOM 0 HE ARG A 11 15.147 -5.599 6.361 1.00 0.00 H new ATOM 0 HH11 ARG A 11 14.108 -8.414 7.201 1.00 0.00 H new ATOM 0 HH12 ARG A 11 15.408 -8.922 8.285 1.00 0.00 H new ATOM 0 HH21 ARG A 11 17.640 -6.480 7.153 1.00 0.00 H new ATOM 0 HH22 ARG A 11 17.391 -7.835 8.258 1.00 0.00 H new ATOM 188 N SER A 12 11.515 -6.373 0.077 1.00 0.00 N ATOM 189 CA SER A 12 11.060 -7.046 -1.172 1.00 0.00 C ATOM 190 C SER A 12 9.593 -6.690 -1.432 1.00 0.00 C ATOM 191 O SER A 12 8.914 -6.142 -0.582 1.00 0.00 O ATOM 192 CB SER A 12 11.193 -8.561 -1.011 1.00 0.00 C ATOM 193 OG SER A 12 12.526 -8.951 -1.316 1.00 0.00 O ATOM 0 H SER A 12 10.811 -5.797 0.538 1.00 0.00 H new ATOM 0 HA SER A 12 11.672 -6.714 -2.010 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.941 -8.853 0.008 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.492 -9.071 -1.672 1.00 0.00 H new ATOM 0 HG SER A 12 13.131 -8.619 -0.621 1.00 0.00 H new ATOM 199 N ILE A 13 9.091 -7.004 -2.596 1.00 0.00 N ATOM 200 CA ILE A 13 7.667 -6.688 -2.894 1.00 0.00 C ATOM 201 C ILE A 13 6.795 -7.357 -1.836 1.00 0.00 C ATOM 202 O ILE A 13 5.927 -6.740 -1.250 1.00 0.00 O ATOM 203 CB ILE A 13 7.297 -7.220 -4.276 1.00 0.00 C ATOM 204 CG1 ILE A 13 5.824 -6.921 -4.562 1.00 0.00 C ATOM 205 CG2 ILE A 13 7.523 -8.728 -4.306 1.00 0.00 C ATOM 206 CD1 ILE A 13 5.560 -5.425 -4.382 1.00 0.00 C ATOM 0 H ILE A 13 9.603 -7.463 -3.349 1.00 0.00 H new ATOM 0 HA ILE A 13 7.513 -5.609 -2.881 1.00 0.00 H new ATOM 0 HB ILE A 13 7.916 -6.738 -5.033 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.571 -7.226 -5.578 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.188 -7.496 -3.889 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.261 -9.116 -5.290 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.571 -8.943 -4.099 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.899 -9.205 -3.550 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.510 -5.214 -4.586 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.796 -5.134 -3.358 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.185 -4.859 -5.073 1.00 0.00 H new ATOM 218 N SER A 14 7.035 -8.613 -1.566 1.00 0.00 N ATOM 219 CA SER A 14 6.237 -9.306 -0.525 1.00 0.00 C ATOM 220 C SER A 14 6.234 -8.421 0.712 1.00 0.00 C ATOM 221 O SER A 14 5.230 -8.245 1.370 1.00 0.00 O ATOM 222 CB SER A 14 6.888 -10.645 -0.190 1.00 0.00 C ATOM 223 OG SER A 14 6.099 -11.323 0.779 1.00 0.00 O ATOM 0 H SER A 14 7.747 -9.183 -2.022 1.00 0.00 H new ATOM 0 HA SER A 14 5.221 -9.487 -0.875 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.980 -11.253 -1.090 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.896 -10.486 0.192 1.00 0.00 H new ATOM 0 HG SER A 14 6.514 -12.184 0.995 1.00 0.00 H new ATOM 229 N ASP A 15 7.366 -7.851 1.017 1.00 0.00 N ATOM 230 CA ASP A 15 7.466 -6.956 2.191 1.00 0.00 C ATOM 231 C ASP A 15 6.501 -5.789 2.014 1.00 0.00 C ATOM 232 O ASP A 15 5.808 -5.401 2.926 1.00 0.00 O ATOM 233 CB ASP A 15 8.887 -6.410 2.296 1.00 0.00 C ATOM 234 CG ASP A 15 9.493 -6.819 3.640 1.00 0.00 C ATOM 235 OD1 ASP A 15 9.748 -7.999 3.817 1.00 0.00 O ATOM 236 OD2 ASP A 15 9.692 -5.946 4.468 1.00 0.00 O ATOM 0 H ASP A 15 8.233 -7.972 0.494 1.00 0.00 H new ATOM 0 HA ASP A 15 7.218 -7.513 3.094 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.497 -6.794 1.478 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.878 -5.324 2.204 1.00 0.00 H new ATOM 241 N LEU A 16 6.456 -5.224 0.841 1.00 0.00 N ATOM 242 CA LEU A 16 5.534 -4.077 0.603 1.00 0.00 C ATOM 243 C LEU A 16 4.113 -4.504 0.946 1.00 0.00 C ATOM 244 O LEU A 16 3.428 -3.880 1.732 1.00 0.00 O ATOM 245 CB LEU A 16 5.598 -3.675 -0.871 1.00 0.00 C ATOM 246 CG LEU A 16 4.847 -2.357 -1.085 1.00 0.00 C ATOM 247 CD1 LEU A 16 5.230 -1.357 0.009 1.00 0.00 C ATOM 248 CD2 LEU A 16 5.225 -1.779 -2.449 1.00 0.00 C ATOM 0 H LEU A 16 7.017 -5.505 0.037 1.00 0.00 H new ATOM 0 HA LEU A 16 5.827 -3.231 1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.637 -3.566 -1.183 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.160 -4.458 -1.490 1.00 0.00 H new ATOM 0 HG LEU A 16 3.774 -2.543 -1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.693 -0.422 -0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.967 -1.766 0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.303 -1.170 -0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.693 -0.841 -2.607 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.299 -1.597 -2.482 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.952 -2.486 -3.232 1.00 0.00 H new ATOM 260 N HIS A 17 3.674 -5.573 0.356 1.00 0.00 N ATOM 261 CA HIS A 17 2.308 -6.079 0.619 1.00 0.00 C ATOM 262 C HIS A 17 2.223 -6.569 2.066 1.00 0.00 C ATOM 263 O HIS A 17 1.154 -6.705 2.628 1.00 0.00 O ATOM 264 CB HIS A 17 2.035 -7.230 -0.348 1.00 0.00 C ATOM 265 CG HIS A 17 2.362 -6.778 -1.746 1.00 0.00 C ATOM 266 ND1 HIS A 17 1.819 -5.627 -2.294 1.00 0.00 N ATOM 267 CD2 HIS A 17 3.183 -7.303 -2.713 1.00 0.00 C ATOM 268 CE1 HIS A 17 2.315 -5.496 -3.538 1.00 0.00 C ATOM 269 NE2 HIS A 17 3.152 -6.492 -3.844 1.00 0.00 N ATOM 0 H HIS A 17 4.214 -6.127 -0.309 1.00 0.00 H new ATOM 0 HA HIS A 17 1.568 -5.292 0.474 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.638 -8.098 -0.081 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.991 -7.536 -0.285 1.00 0.00 H new ATOM 0 HD1 HIS A 17 1.162 -4.994 -1.837 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.764 -8.207 -2.612 1.00 0.00 H new ATOM 0 HE1 HIS A 17 2.067 -4.685 -4.207 1.00 0.00 H new ATOM 277 N GLN A 18 3.345 -6.826 2.678 1.00 0.00 N ATOM 278 CA GLN A 18 3.334 -7.297 4.082 1.00 0.00 C ATOM 279 C GLN A 18 2.937 -6.138 4.995 1.00 0.00 C ATOM 280 O GLN A 18 1.994 -6.227 5.756 1.00 0.00 O ATOM 281 CB GLN A 18 4.728 -7.798 4.466 1.00 0.00 C ATOM 282 CG GLN A 18 4.621 -8.733 5.672 1.00 0.00 C ATOM 283 CD GLN A 18 4.633 -10.186 5.194 1.00 0.00 C ATOM 284 OE1 GLN A 18 3.740 -10.948 5.506 1.00 0.00 O ATOM 285 NE2 GLN A 18 5.616 -10.605 4.444 1.00 0.00 N ATOM 0 H GLN A 18 4.271 -6.728 2.261 1.00 0.00 H new ATOM 0 HA GLN A 18 2.618 -8.112 4.190 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.182 -8.323 3.625 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.376 -6.955 4.703 1.00 0.00 H new ATOM 0 HG2 GLN A 18 5.451 -8.557 6.356 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.704 -8.528 6.224 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.366 -9.965 4.182 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.634 -11.572 4.120 1.00 0.00 H new ATOM 294 N THR A 19 3.652 -5.049 4.924 1.00 0.00 N ATOM 295 CA THR A 19 3.323 -3.889 5.780 1.00 0.00 C ATOM 296 C THR A 19 1.946 -3.356 5.367 1.00 0.00 C ATOM 297 O THR A 19 1.156 -2.963 6.192 1.00 0.00 O ATOM 298 CB THR A 19 4.426 -2.814 5.633 1.00 0.00 C ATOM 299 OG1 THR A 19 5.050 -2.621 6.894 1.00 0.00 O ATOM 300 CG2 THR A 19 3.844 -1.475 5.170 1.00 0.00 C ATOM 0 H THR A 19 4.452 -4.918 4.305 1.00 0.00 H new ATOM 0 HA THR A 19 3.281 -4.176 6.831 1.00 0.00 H new ATOM 0 HB THR A 19 5.142 -3.159 4.887 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.752 -1.942 6.811 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.646 -0.742 5.077 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.357 -1.605 4.203 1.00 0.00 H new ATOM 0 HG23 THR A 19 3.114 -1.124 5.900 1.00 0.00 H new ATOM 308 N LEU A 20 1.651 -3.350 4.095 1.00 0.00 N ATOM 309 CA LEU A 20 0.330 -2.862 3.642 1.00 0.00 C ATOM 310 C LEU A 20 -0.741 -3.794 4.201 1.00 0.00 C ATOM 311 O LEU A 20 -1.826 -3.392 4.546 1.00 0.00 O ATOM 312 CB LEU A 20 0.284 -2.896 2.120 1.00 0.00 C ATOM 313 CG LEU A 20 1.153 -1.774 1.550 1.00 0.00 C ATOM 314 CD1 LEU A 20 1.000 -1.746 0.034 1.00 0.00 C ATOM 315 CD2 LEU A 20 0.710 -0.428 2.135 1.00 0.00 C ATOM 0 H LEU A 20 2.275 -3.665 3.352 1.00 0.00 H new ATOM 0 HA LEU A 20 0.160 -1.842 3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.637 -3.862 1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.744 -2.783 1.776 1.00 0.00 H new ATOM 0 HG LEU A 20 2.196 -1.951 1.812 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.617 -0.948 -0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.317 -2.702 -0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.044 -1.567 -0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.332 0.369 1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.333 -0.244 1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.815 -0.450 3.220 1.00 0.00 H new ATOM 327 N LYS A 21 -0.419 -5.044 4.288 1.00 0.00 N ATOM 328 CA LYS A 21 -1.379 -6.047 4.827 1.00 0.00 C ATOM 329 C LYS A 21 -1.585 -5.789 6.320 1.00 0.00 C ATOM 330 O LYS A 21 -2.677 -5.896 6.832 1.00 0.00 O ATOM 331 CB LYS A 21 -0.811 -7.453 4.628 1.00 0.00 C ATOM 332 CG LYS A 21 -1.888 -8.490 4.951 1.00 0.00 C ATOM 333 CD LYS A 21 -1.371 -9.441 6.033 1.00 0.00 C ATOM 334 CE LYS A 21 -2.111 -10.776 5.935 1.00 0.00 C ATOM 335 NZ LYS A 21 -2.097 -11.450 7.264 1.00 0.00 N ATOM 0 H LYS A 21 0.483 -5.426 4.005 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.331 -5.964 4.303 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.469 -7.576 3.600 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.056 -7.601 5.272 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.796 -7.993 5.292 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.149 -9.051 4.053 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.299 -9.598 5.913 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.520 -9.002 7.019 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.138 -10.612 5.609 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.638 -11.412 5.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.600 -12.358 7.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.114 -11.619 7.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.568 -10.844 7.966 1.00 0.00 H new ATOM 349 N LYS A 22 -0.545 -5.442 7.025 1.00 0.00 N ATOM 350 CA LYS A 22 -0.691 -5.166 8.474 1.00 0.00 C ATOM 351 C LYS A 22 -1.565 -3.927 8.636 1.00 0.00 C ATOM 352 O LYS A 22 -2.614 -3.954 9.250 1.00 0.00 O ATOM 353 CB LYS A 22 0.684 -4.891 9.077 1.00 0.00 C ATOM 354 CG LYS A 22 0.803 -5.598 10.428 1.00 0.00 C ATOM 355 CD LYS A 22 1.818 -6.738 10.322 1.00 0.00 C ATOM 356 CE LYS A 22 1.168 -7.935 9.625 1.00 0.00 C ATOM 357 NZ LYS A 22 2.070 -9.118 9.727 1.00 0.00 N ATOM 0 H LYS A 22 0.400 -5.338 6.656 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.142 -6.020 8.979 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.465 -5.241 8.402 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.829 -3.818 9.203 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.116 -4.889 11.195 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.168 -5.989 10.732 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.694 -6.409 9.762 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.164 -7.025 11.315 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.205 -8.158 10.084 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.976 -7.700 8.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.629 -9.932 9.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.979 -8.902 9.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.232 -9.346 10.729 1.00 0.00 H new ATOM 371 N GLU A 23 -1.132 -2.845 8.061 1.00 0.00 N ATOM 372 CA GLU A 23 -1.896 -1.583 8.123 1.00 0.00 C ATOM 373 C GLU A 23 -3.324 -1.856 7.658 1.00 0.00 C ATOM 374 O GLU A 23 -4.273 -1.809 8.416 1.00 0.00 O ATOM 375 CB GLU A 23 -1.239 -0.588 7.163 1.00 0.00 C ATOM 376 CG GLU A 23 0.231 -0.384 7.539 1.00 0.00 C ATOM 377 CD GLU A 23 1.017 0.019 6.288 1.00 0.00 C ATOM 378 OE1 GLU A 23 0.475 -0.121 5.204 1.00 0.00 O ATOM 379 OE2 GLU A 23 2.145 0.459 6.434 1.00 0.00 O ATOM 0 H GLU A 23 -0.258 -2.786 7.539 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.908 -1.184 9.137 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.313 -0.956 6.140 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.767 0.365 7.198 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.320 0.388 8.304 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.642 -1.301 7.962 1.00 0.00 H new ATOM 386 N LEU A 24 -3.456 -2.146 6.401 1.00 0.00 N ATOM 387 CA LEU A 24 -4.778 -2.442 5.800 1.00 0.00 C ATOM 388 C LEU A 24 -5.406 -3.656 6.486 1.00 0.00 C ATOM 389 O LEU A 24 -6.573 -3.944 6.306 1.00 0.00 O ATOM 390 CB LEU A 24 -4.556 -2.762 4.322 1.00 0.00 C ATOM 391 CG LEU A 24 -3.917 -1.559 3.630 1.00 0.00 C ATOM 392 CD1 LEU A 24 -2.874 -2.051 2.626 1.00 0.00 C ATOM 393 CD2 LEU A 24 -4.994 -0.758 2.896 1.00 0.00 C ATOM 0 H LEU A 24 -2.677 -2.192 5.744 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.444 -1.588 5.920 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.913 -3.637 4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.505 -3.007 3.846 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.438 -0.922 4.374 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.415 -1.196 2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.107 -2.622 3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.356 -2.686 1.883 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.537 0.100 2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.474 -1.392 2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.740 -0.410 3.611 1.00 0.00 H new ATOM 405 N ALA A 25 -4.644 -4.381 7.257 1.00 0.00 N ATOM 406 CA ALA A 25 -5.204 -5.580 7.930 1.00 0.00 C ATOM 407 C ALA A 25 -5.900 -6.455 6.885 1.00 0.00 C ATOM 408 O ALA A 25 -7.032 -6.864 7.052 1.00 0.00 O ATOM 409 CB ALA A 25 -6.202 -5.130 8.989 1.00 0.00 C ATOM 0 H ALA A 25 -3.660 -4.193 7.448 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.411 -6.155 8.407 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.620 -6.003 9.490 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.697 -4.499 9.720 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.005 -4.565 8.516 1.00 0.00 H new ATOM 415 N LEU A 26 -5.224 -6.738 5.804 1.00 0.00 N ATOM 416 CA LEU A 26 -5.825 -7.578 4.730 1.00 0.00 C ATOM 417 C LEU A 26 -6.002 -9.014 5.234 1.00 0.00 C ATOM 418 O LEU A 26 -5.360 -9.419 6.183 1.00 0.00 O ATOM 419 CB LEU A 26 -4.895 -7.572 3.514 1.00 0.00 C ATOM 420 CG LEU A 26 -4.528 -6.129 3.162 1.00 0.00 C ATOM 421 CD1 LEU A 26 -3.464 -6.125 2.068 1.00 0.00 C ATOM 422 CD2 LEU A 26 -5.774 -5.391 2.667 1.00 0.00 C ATOM 0 H LEU A 26 -4.273 -6.420 5.618 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.799 -7.176 4.452 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.994 -8.146 3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.384 -8.052 2.666 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.138 -5.628 4.048 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.203 -5.097 1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.576 -6.649 2.422 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.852 -6.627 1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.512 -4.363 2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.166 -5.892 1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.532 -5.392 3.450 1.00 0.00 H new ATOM 434 N PRO A 27 -6.871 -9.743 4.578 1.00 0.00 N ATOM 435 CA PRO A 27 -7.152 -11.144 4.938 1.00 0.00 C ATOM 436 C PRO A 27 -5.872 -11.978 4.886 1.00 0.00 C ATOM 437 O PRO A 27 -4.796 -11.472 4.638 1.00 0.00 O ATOM 438 CB PRO A 27 -8.148 -11.629 3.877 1.00 0.00 C ATOM 439 CG PRO A 27 -8.503 -10.419 2.976 1.00 0.00 C ATOM 440 CD PRO A 27 -7.640 -9.232 3.428 1.00 0.00 C ATOM 0 HA PRO A 27 -7.547 -11.237 5.950 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.713 -12.433 3.283 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.045 -12.030 4.349 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -8.313 -10.653 1.929 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.562 -10.176 3.061 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.980 -8.896 2.629 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.257 -8.379 3.712 1.00 0.00 H new ATOM 448 N GLU A 28 -5.984 -13.257 5.116 1.00 0.00 N ATOM 449 CA GLU A 28 -4.780 -14.130 5.076 1.00 0.00 C ATOM 450 C GLU A 28 -4.459 -14.475 3.622 1.00 0.00 C ATOM 451 O GLU A 28 -3.360 -14.878 3.297 1.00 0.00 O ATOM 452 CB GLU A 28 -5.058 -15.417 5.851 1.00 0.00 C ATOM 453 CG GLU A 28 -5.146 -15.107 7.347 1.00 0.00 C ATOM 454 CD GLU A 28 -6.354 -15.828 7.948 1.00 0.00 C ATOM 455 OE1 GLU A 28 -6.306 -17.044 8.045 1.00 0.00 O ATOM 456 OE2 GLU A 28 -7.306 -15.153 8.301 1.00 0.00 O ATOM 0 H GLU A 28 -6.859 -13.735 5.330 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.935 -13.610 5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.990 -15.866 5.507 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.266 -16.143 5.666 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.232 -15.425 7.849 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.237 -14.032 7.502 1.00 0.00 H new ATOM 463 N TYR A 29 -5.413 -14.324 2.745 1.00 0.00 N ATOM 464 CA TYR A 29 -5.161 -14.647 1.314 1.00 0.00 C ATOM 465 C TYR A 29 -4.729 -13.384 0.567 1.00 0.00 C ATOM 466 O TYR A 29 -4.695 -13.361 -0.646 1.00 0.00 O ATOM 467 CB TYR A 29 -6.437 -15.207 0.680 1.00 0.00 C ATOM 468 CG TYR A 29 -7.615 -14.341 1.054 1.00 0.00 C ATOM 469 CD1 TYR A 29 -7.938 -13.224 0.273 1.00 0.00 C ATOM 470 CD2 TYR A 29 -8.386 -14.656 2.179 1.00 0.00 C ATOM 471 CE1 TYR A 29 -9.033 -12.423 0.618 1.00 0.00 C ATOM 472 CE2 TYR A 29 -9.481 -13.853 2.524 1.00 0.00 C ATOM 473 CZ TYR A 29 -9.804 -12.737 1.743 1.00 0.00 C ATOM 474 OH TYR A 29 -10.883 -11.947 2.083 1.00 0.00 O ATOM 0 H TYR A 29 -6.354 -13.992 2.957 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.368 -15.392 1.249 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.330 -15.243 -0.404 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.604 -16.230 1.018 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.343 -12.981 -0.595 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.137 -15.518 2.781 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.283 -11.562 0.016 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.076 -14.095 3.392 1.00 0.00 H new ATOM 0 HH TYR A 29 -11.310 -12.305 2.889 1.00 0.00 H new ATOM 484 N TYR A 30 -4.398 -12.336 1.282 1.00 0.00 N ATOM 485 CA TYR A 30 -3.962 -11.074 0.603 1.00 0.00 C ATOM 486 C TYR A 30 -3.061 -11.427 -0.585 1.00 0.00 C ATOM 487 O TYR A 30 -1.875 -11.643 -0.437 1.00 0.00 O ATOM 488 CB TYR A 30 -3.183 -10.194 1.591 1.00 0.00 C ATOM 489 CG TYR A 30 -2.674 -8.957 0.878 1.00 0.00 C ATOM 490 CD1 TYR A 30 -3.354 -8.469 -0.243 1.00 0.00 C ATOM 491 CD2 TYR A 30 -1.521 -8.301 1.338 1.00 0.00 C ATOM 492 CE1 TYR A 30 -2.885 -7.330 -0.907 1.00 0.00 C ATOM 493 CE2 TYR A 30 -1.050 -7.157 0.672 1.00 0.00 C ATOM 494 CZ TYR A 30 -1.733 -6.675 -0.451 1.00 0.00 C ATOM 495 OH TYR A 30 -1.273 -5.552 -1.108 1.00 0.00 O ATOM 0 H TYR A 30 -4.410 -12.299 2.301 1.00 0.00 H new ATOM 0 HA TYR A 30 -4.839 -10.529 0.253 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.826 -9.908 2.423 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.347 -10.754 2.011 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.242 -8.972 -0.596 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.996 -8.676 2.204 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.412 -6.955 -1.772 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.164 -6.651 1.025 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.465 -5.220 -0.663 1.00 0.00 H new ATOM 505 N GLY A 31 -3.623 -11.498 -1.762 1.00 0.00 N ATOM 506 CA GLY A 31 -2.810 -11.849 -2.962 1.00 0.00 C ATOM 507 C GLY A 31 -1.514 -11.040 -2.964 1.00 0.00 C ATOM 508 O GLY A 31 -0.488 -11.502 -3.419 1.00 0.00 O ATOM 0 H GLY A 31 -4.612 -11.328 -1.944 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.584 -12.915 -2.960 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.378 -11.645 -3.870 1.00 0.00 H new ATOM 512 N GLU A 32 -1.561 -9.835 -2.464 1.00 0.00 N ATOM 513 CA GLU A 32 -0.343 -8.973 -2.432 1.00 0.00 C ATOM 514 C GLU A 32 -0.170 -8.283 -3.791 1.00 0.00 C ATOM 515 O GLU A 32 0.618 -7.372 -3.937 1.00 0.00 O ATOM 516 CB GLU A 32 0.895 -9.827 -2.081 1.00 0.00 C ATOM 517 CG GLU A 32 1.698 -10.188 -3.340 1.00 0.00 C ATOM 518 CD GLU A 32 2.405 -11.528 -3.129 1.00 0.00 C ATOM 519 OE1 GLU A 32 2.495 -11.955 -1.989 1.00 0.00 O ATOM 520 OE2 GLU A 32 2.846 -12.104 -4.110 1.00 0.00 O ATOM 0 H GLU A 32 -2.399 -9.406 -2.072 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.454 -8.206 -1.666 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.531 -9.280 -1.385 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.579 -10.739 -1.575 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.034 -10.247 -4.203 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.430 -9.409 -3.553 1.00 0.00 H new ATOM 527 N ASN A 33 -0.902 -8.707 -4.785 1.00 0.00 N ATOM 528 CA ASN A 33 -0.774 -8.066 -6.122 1.00 0.00 C ATOM 529 C ASN A 33 -1.586 -6.768 -6.145 1.00 0.00 C ATOM 530 O ASN A 33 -2.206 -6.396 -5.169 1.00 0.00 O ATOM 531 CB ASN A 33 -1.268 -9.017 -7.224 1.00 0.00 C ATOM 532 CG ASN A 33 -2.523 -9.772 -6.767 1.00 0.00 C ATOM 533 OD1 ASN A 33 -3.625 -9.400 -7.112 1.00 0.00 O ATOM 534 ND2 ASN A 33 -2.402 -10.833 -6.018 1.00 0.00 N ATOM 0 H ASN A 33 -1.580 -9.467 -4.729 1.00 0.00 H new ATOM 0 HA ASN A 33 0.276 -7.840 -6.308 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.488 -8.450 -8.129 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.482 -9.728 -7.477 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.232 -11.347 -5.724 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.477 -11.148 -5.726 1.00 0.00 H new ATOM 541 N LEU A 34 -1.578 -6.073 -7.247 1.00 0.00 N ATOM 542 CA LEU A 34 -2.340 -4.793 -7.338 1.00 0.00 C ATOM 543 C LEU A 34 -3.833 -5.085 -7.437 1.00 0.00 C ATOM 544 O LEU A 34 -4.655 -4.388 -6.888 1.00 0.00 O ATOM 545 CB LEU A 34 -1.910 -4.051 -8.596 1.00 0.00 C ATOM 546 CG LEU A 34 -0.494 -3.506 -8.416 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.053 -2.798 -9.698 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.476 -2.512 -7.254 1.00 0.00 C ATOM 0 H LEU A 34 -1.074 -6.336 -8.094 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.141 -4.192 -6.450 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.945 -4.721 -9.455 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.601 -3.233 -8.801 1.00 0.00 H new ATOM 0 HG LEU A 34 0.188 -4.329 -8.203 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.957 -2.409 -9.570 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.067 -3.505 -10.527 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.734 -1.975 -9.912 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.534 -2.122 -7.124 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.158 -1.689 -7.469 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.791 -3.015 -6.340 1.00 0.00 H new ATOM 560 N ASP A 35 -4.179 -6.102 -8.159 1.00 0.00 N ATOM 561 CA ASP A 35 -5.611 -6.464 -8.334 1.00 0.00 C ATOM 562 C ASP A 35 -6.223 -6.865 -6.993 1.00 0.00 C ATOM 563 O ASP A 35 -7.378 -6.604 -6.719 1.00 0.00 O ATOM 564 CB ASP A 35 -5.688 -7.658 -9.272 1.00 0.00 C ATOM 565 CG ASP A 35 -5.440 -7.203 -10.711 1.00 0.00 C ATOM 566 OD1 ASP A 35 -4.600 -6.338 -10.901 1.00 0.00 O ATOM 567 OD2 ASP A 35 -6.093 -7.726 -11.598 1.00 0.00 O ATOM 0 H ASP A 35 -3.522 -6.712 -8.646 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.155 -5.609 -8.736 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.949 -8.406 -8.985 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.667 -8.131 -9.194 1.00 0.00 H new ATOM 572 N ALA A 36 -5.457 -7.507 -6.160 1.00 0.00 N ATOM 573 CA ALA A 36 -5.996 -7.938 -4.839 1.00 0.00 C ATOM 574 C ALA A 36 -5.966 -6.753 -3.898 1.00 0.00 C ATOM 575 O ALA A 36 -6.960 -6.380 -3.307 1.00 0.00 O ATOM 576 CB ALA A 36 -5.137 -9.058 -4.259 1.00 0.00 C ATOM 0 H ALA A 36 -4.482 -7.753 -6.334 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.015 -8.303 -4.964 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.541 -9.364 -3.294 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.140 -9.909 -4.940 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.115 -8.702 -4.128 1.00 0.00 H new ATOM 582 N LEU A 37 -4.825 -6.147 -3.775 1.00 0.00 N ATOM 583 CA LEU A 37 -4.703 -4.961 -2.898 1.00 0.00 C ATOM 584 C LEU A 37 -5.899 -4.059 -3.178 1.00 0.00 C ATOM 585 O LEU A 37 -6.610 -3.623 -2.291 1.00 0.00 O ATOM 586 CB LEU A 37 -3.406 -4.230 -3.250 1.00 0.00 C ATOM 587 CG LEU A 37 -3.486 -2.774 -2.786 1.00 0.00 C ATOM 588 CD1 LEU A 37 -3.511 -2.723 -1.258 1.00 0.00 C ATOM 589 CD2 LEU A 37 -2.269 -2.005 -3.303 1.00 0.00 C ATOM 0 H LEU A 37 -3.966 -6.425 -4.249 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.683 -5.242 -1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.559 -4.726 -2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.237 -4.269 -4.326 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.396 -2.319 -3.178 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.568 -1.685 -0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.380 -3.268 -0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.603 -3.179 -0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.326 -0.968 -2.972 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.358 -2.460 -2.913 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.254 -2.038 -4.392 1.00 0.00 H new ATOM 601 N TRP A 38 -6.119 -3.796 -4.426 1.00 0.00 N ATOM 602 CA TRP A 38 -7.253 -2.949 -4.823 1.00 0.00 C ATOM 603 C TRP A 38 -8.532 -3.592 -4.346 1.00 0.00 C ATOM 604 O TRP A 38 -9.315 -3.004 -3.631 1.00 0.00 O ATOM 605 CB TRP A 38 -7.315 -2.851 -6.340 1.00 0.00 C ATOM 606 CG TRP A 38 -8.467 -1.988 -6.691 1.00 0.00 C ATOM 607 CD1 TRP A 38 -9.733 -2.413 -6.806 1.00 0.00 C ATOM 608 CD2 TRP A 38 -8.483 -0.565 -6.935 1.00 0.00 C ATOM 609 NE1 TRP A 38 -10.540 -1.332 -7.125 1.00 0.00 N ATOM 610 CE2 TRP A 38 -9.806 -0.165 -7.214 1.00 0.00 C ATOM 611 CE3 TRP A 38 -7.480 0.401 -6.943 1.00 0.00 C ATOM 612 CZ2 TRP A 38 -10.117 1.167 -7.492 1.00 0.00 C ATOM 613 CZ3 TRP A 38 -7.774 1.730 -7.214 1.00 0.00 C ATOM 614 CH2 TRP A 38 -9.092 2.123 -7.489 1.00 0.00 C ATOM 0 H TRP A 38 -5.549 -4.140 -5.198 1.00 0.00 H new ATOM 0 HA TRP A 38 -7.129 -1.957 -4.388 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.389 -2.431 -6.734 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.430 -3.841 -6.782 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -10.069 -3.431 -6.672 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -11.547 -1.391 -7.275 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -6.460 0.112 -6.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.135 1.457 -7.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.983 2.466 -7.213 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -9.316 3.159 -7.698 1.00 0.00 H new ATOM 625 N ASP A 39 -8.740 -4.806 -4.745 1.00 0.00 N ATOM 626 CA ASP A 39 -9.967 -5.522 -4.327 1.00 0.00 C ATOM 627 C ASP A 39 -10.192 -5.261 -2.841 1.00 0.00 C ATOM 628 O ASP A 39 -11.305 -5.290 -2.353 1.00 0.00 O ATOM 629 CB ASP A 39 -9.798 -7.020 -4.572 1.00 0.00 C ATOM 630 CG ASP A 39 -10.743 -7.466 -5.689 1.00 0.00 C ATOM 631 OD1 ASP A 39 -11.263 -6.604 -6.378 1.00 0.00 O ATOM 632 OD2 ASP A 39 -10.931 -8.662 -5.836 1.00 0.00 O ATOM 0 H ASP A 39 -8.110 -5.337 -5.346 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.823 -5.169 -4.902 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.766 -7.240 -4.845 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.011 -7.575 -3.658 1.00 0.00 H new ATOM 637 N CYS A 40 -9.136 -4.992 -2.119 1.00 0.00 N ATOM 638 CA CYS A 40 -9.284 -4.713 -0.671 1.00 0.00 C ATOM 639 C CYS A 40 -9.723 -3.258 -0.473 1.00 0.00 C ATOM 640 O CYS A 40 -10.650 -2.977 0.259 1.00 0.00 O ATOM 641 CB CYS A 40 -7.944 -4.944 0.025 1.00 0.00 C ATOM 642 SG CYS A 40 -7.454 -6.676 -0.166 1.00 0.00 S ATOM 0 H CYS A 40 -8.181 -4.955 -2.474 1.00 0.00 H new ATOM 0 HA CYS A 40 -10.036 -5.377 -0.244 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -7.183 -4.291 -0.402 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.023 -4.692 1.083 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.168 -6.911 -1.412 1.00 0.00 H new ATOM 648 N LEU A 41 -9.062 -2.327 -1.112 1.00 0.00 N ATOM 649 CA LEU A 41 -9.432 -0.902 -0.947 1.00 0.00 C ATOM 650 C LEU A 41 -10.894 -0.674 -1.340 1.00 0.00 C ATOM 651 O LEU A 41 -11.660 -0.083 -0.604 1.00 0.00 O ATOM 652 CB LEU A 41 -8.535 -0.057 -1.849 1.00 0.00 C ATOM 653 CG LEU A 41 -7.065 -0.416 -1.615 1.00 0.00 C ATOM 654 CD1 LEU A 41 -6.198 0.427 -2.539 1.00 0.00 C ATOM 655 CD2 LEU A 41 -6.675 -0.134 -0.162 1.00 0.00 C ATOM 0 H LEU A 41 -8.279 -2.500 -1.743 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.304 -0.619 0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.796 -0.224 -2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.696 1.002 -1.646 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.917 -1.476 -1.821 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.149 0.179 -2.380 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.466 0.223 -3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.357 1.484 -2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.627 -0.394 -0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.822 0.924 0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.298 -0.731 0.504 1.00 0.00 H new ATOM 667 N THR A 42 -11.278 -1.108 -2.506 1.00 0.00 N ATOM 668 CA THR A 42 -12.668 -0.890 -2.966 1.00 0.00 C ATOM 669 C THR A 42 -13.623 -1.898 -2.321 1.00 0.00 C ATOM 670 O THR A 42 -14.784 -1.964 -2.674 1.00 0.00 O ATOM 671 CB THR A 42 -12.723 -1.037 -4.489 1.00 0.00 C ATOM 672 OG1 THR A 42 -12.202 -2.306 -4.859 1.00 0.00 O ATOM 673 CG2 THR A 42 -11.891 0.070 -5.140 1.00 0.00 C ATOM 0 H THR A 42 -10.680 -1.609 -3.163 1.00 0.00 H new ATOM 0 HA THR A 42 -12.979 0.113 -2.674 1.00 0.00 H new ATOM 0 HB THR A 42 -13.756 -0.957 -4.826 1.00 0.00 H new ATOM 0 HG1 THR A 42 -11.505 -2.188 -5.538 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.930 -0.035 -6.224 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.292 1.042 -4.855 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.857 -0.008 -4.805 1.00 0.00 H new ATOM 681 N GLY A 43 -13.165 -2.687 -1.386 1.00 0.00 N ATOM 682 CA GLY A 43 -14.098 -3.670 -0.759 1.00 0.00 C ATOM 683 C GLY A 43 -13.445 -4.391 0.425 1.00 0.00 C ATOM 684 O GLY A 43 -13.498 -5.602 0.520 1.00 0.00 O ATOM 0 H GLY A 43 -12.207 -2.696 -1.035 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.997 -3.155 -0.421 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.411 -4.402 -1.504 1.00 0.00 H new ATOM 688 N TRP A 44 -12.845 -3.677 1.340 1.00 0.00 N ATOM 689 CA TRP A 44 -12.223 -4.360 2.506 1.00 0.00 C ATOM 690 C TRP A 44 -11.673 -3.326 3.491 1.00 0.00 C ATOM 691 O TRP A 44 -12.185 -3.155 4.580 1.00 0.00 O ATOM 692 CB TRP A 44 -11.084 -5.253 2.020 1.00 0.00 C ATOM 693 CG TRP A 44 -10.464 -5.937 3.193 1.00 0.00 C ATOM 694 CD1 TRP A 44 -9.353 -5.515 3.836 1.00 0.00 C ATOM 695 CD2 TRP A 44 -10.899 -7.147 3.878 1.00 0.00 C ATOM 696 NE1 TRP A 44 -9.075 -6.389 4.871 1.00 0.00 N ATOM 697 CE2 TRP A 44 -10.000 -7.413 4.937 1.00 0.00 C ATOM 698 CE3 TRP A 44 -11.976 -8.032 3.684 1.00 0.00 C ATOM 699 CZ2 TRP A 44 -10.163 -8.517 5.775 1.00 0.00 C ATOM 700 CZ3 TRP A 44 -12.142 -9.145 4.525 1.00 0.00 C ATOM 701 CH2 TRP A 44 -11.238 -9.386 5.569 1.00 0.00 C ATOM 0 H TRP A 44 -12.760 -2.661 1.330 1.00 0.00 H new ATOM 0 HA TRP A 44 -12.978 -4.964 3.010 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -11.461 -5.990 1.311 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -10.338 -4.658 1.494 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.776 -4.638 3.583 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.284 -6.290 5.507 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -12.679 -7.854 2.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -9.463 -8.699 6.577 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -12.971 -9.819 4.366 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -11.372 -10.242 6.213 1.00 0.00 H new ATOM 712 N VAL A 45 -10.626 -2.648 3.121 1.00 0.00 N ATOM 713 CA VAL A 45 -10.023 -1.637 4.028 1.00 0.00 C ATOM 714 C VAL A 45 -11.094 -0.654 4.505 1.00 0.00 C ATOM 715 O VAL A 45 -12.058 -0.388 3.816 1.00 0.00 O ATOM 716 CB VAL A 45 -8.930 -0.870 3.281 1.00 0.00 C ATOM 717 CG1 VAL A 45 -8.188 0.043 4.258 1.00 0.00 C ATOM 718 CG2 VAL A 45 -7.941 -1.860 2.660 1.00 0.00 C ATOM 0 H VAL A 45 -10.158 -2.752 2.221 1.00 0.00 H new ATOM 0 HA VAL A 45 -9.594 -2.145 4.891 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.385 -0.269 2.494 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.409 0.589 3.726 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.890 0.750 4.700 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.735 -0.559 5.046 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.163 -1.312 2.128 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.487 -2.463 3.447 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.468 -2.511 1.962 1.00 0.00 H new ATOM 728 N GLU A 46 -10.923 -0.102 5.677 1.00 0.00 N ATOM 729 CA GLU A 46 -11.923 0.875 6.194 1.00 0.00 C ATOM 730 C GLU A 46 -11.374 2.290 6.011 1.00 0.00 C ATOM 731 O GLU A 46 -10.248 2.579 6.360 1.00 0.00 O ATOM 732 CB GLU A 46 -12.185 0.617 7.677 1.00 0.00 C ATOM 733 CG GLU A 46 -10.858 0.597 8.437 1.00 0.00 C ATOM 734 CD GLU A 46 -10.689 -0.755 9.133 1.00 0.00 C ATOM 735 OE1 GLU A 46 -10.142 -1.654 8.514 1.00 0.00 O ATOM 736 OE2 GLU A 46 -11.110 -0.869 10.272 1.00 0.00 O ATOM 0 H GLU A 46 -10.135 -0.286 6.297 1.00 0.00 H new ATOM 0 HA GLU A 46 -12.858 0.765 5.645 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.836 1.392 8.082 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -12.703 -0.333 7.805 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.030 0.770 7.749 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.835 1.402 9.172 1.00 0.00 H new ATOM 743 N TYR A 47 -12.162 3.167 5.456 1.00 0.00 N ATOM 744 CA TYR A 47 -11.692 4.564 5.229 1.00 0.00 C ATOM 745 C TYR A 47 -12.558 5.528 6.052 1.00 0.00 C ATOM 746 O TYR A 47 -13.575 5.123 6.579 1.00 0.00 O ATOM 747 CB TYR A 47 -11.806 4.865 3.728 1.00 0.00 C ATOM 748 CG TYR A 47 -10.771 4.056 2.966 1.00 0.00 C ATOM 749 CD1 TYR A 47 -9.684 3.478 3.638 1.00 0.00 C ATOM 750 CD2 TYR A 47 -10.897 3.881 1.583 1.00 0.00 C ATOM 751 CE1 TYR A 47 -8.734 2.737 2.933 1.00 0.00 C ATOM 752 CE2 TYR A 47 -9.944 3.133 0.883 1.00 0.00 C ATOM 753 CZ TYR A 47 -8.864 2.564 1.560 1.00 0.00 C ATOM 754 OH TYR A 47 -7.925 1.830 0.873 1.00 0.00 O ATOM 0 H TYR A 47 -13.116 2.977 5.148 1.00 0.00 H new ATOM 0 HA TYR A 47 -10.656 4.687 5.544 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -12.807 4.620 3.373 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.655 5.929 3.548 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -9.582 3.607 4.705 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.730 4.323 1.056 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.897 2.298 3.455 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.044 2.996 -0.184 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.027 2.126 1.129 1.00 0.00 H new ATOM 764 N PRO A 48 -12.138 6.774 6.168 1.00 0.00 N ATOM 765 CA PRO A 48 -10.901 7.309 5.540 1.00 0.00 C ATOM 766 C PRO A 48 -9.642 6.595 6.042 1.00 0.00 C ATOM 767 O PRO A 48 -9.504 6.296 7.212 1.00 0.00 O ATOM 768 CB PRO A 48 -10.860 8.787 5.955 1.00 0.00 C ATOM 769 CG PRO A 48 -12.097 9.065 6.844 1.00 0.00 C ATOM 770 CD PRO A 48 -12.896 7.760 6.958 1.00 0.00 C ATOM 0 HA PRO A 48 -10.919 7.164 4.460 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -9.942 9.005 6.500 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -10.869 9.431 5.076 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -11.788 9.411 7.830 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.712 9.852 6.408 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.989 7.445 7.997 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -13.907 7.882 6.570 1.00 0.00 H new ATOM 778 N LEU A 49 -8.720 6.327 5.153 1.00 0.00 N ATOM 779 CA LEU A 49 -7.459 5.638 5.552 1.00 0.00 C ATOM 780 C LEU A 49 -6.282 6.590 5.355 1.00 0.00 C ATOM 781 O LEU A 49 -6.318 7.478 4.527 1.00 0.00 O ATOM 782 CB LEU A 49 -7.260 4.405 4.651 1.00 0.00 C ATOM 783 CG LEU A 49 -5.769 4.057 4.497 1.00 0.00 C ATOM 784 CD1 LEU A 49 -5.228 3.496 5.812 1.00 0.00 C ATOM 785 CD2 LEU A 49 -5.600 3.016 3.386 1.00 0.00 C ATOM 0 H LEU A 49 -8.788 6.558 4.162 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.517 5.335 6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.792 3.553 5.075 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.694 4.596 3.669 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.214 4.959 4.239 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.172 3.252 5.696 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.344 4.240 6.600 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.782 2.596 6.079 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.544 2.769 3.276 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.158 2.116 3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.977 3.421 2.447 1.00 0.00 H new ATOM 797 N VAL A 50 -5.219 6.374 6.072 1.00 0.00 N ATOM 798 CA VAL A 50 -4.024 7.225 5.878 1.00 0.00 C ATOM 799 C VAL A 50 -2.912 6.330 5.322 1.00 0.00 C ATOM 800 O VAL A 50 -2.664 5.253 5.824 1.00 0.00 O ATOM 801 CB VAL A 50 -3.594 7.868 7.216 1.00 0.00 C ATOM 802 CG1 VAL A 50 -2.146 7.491 7.569 1.00 0.00 C ATOM 803 CG2 VAL A 50 -3.693 9.390 7.098 1.00 0.00 C ATOM 0 H VAL A 50 -5.128 5.647 6.781 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.239 8.038 5.185 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.254 7.500 8.002 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.869 7.957 8.515 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.064 6.408 7.660 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.477 7.841 6.783 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.391 9.848 8.040 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.038 9.736 6.299 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.721 9.671 6.871 1.00 0.00 H new ATOM 813 N LEU A 51 -2.220 6.776 4.324 1.00 0.00 N ATOM 814 CA LEU A 51 -1.106 5.958 3.783 1.00 0.00 C ATOM 815 C LEU A 51 0.168 6.762 3.937 1.00 0.00 C ATOM 816 O LEU A 51 0.627 7.412 3.018 1.00 0.00 O ATOM 817 CB LEU A 51 -1.313 5.609 2.305 1.00 0.00 C ATOM 818 CG LEU A 51 -0.175 4.685 1.861 1.00 0.00 C ATOM 819 CD1 LEU A 51 -0.376 3.304 2.472 1.00 0.00 C ATOM 820 CD2 LEU A 51 -0.169 4.541 0.343 1.00 0.00 C ATOM 0 H LEU A 51 -2.374 7.670 3.857 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.057 5.017 4.331 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.276 5.119 2.163 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.324 6.515 1.699 1.00 0.00 H new ATOM 0 HG LEU A 51 0.770 5.116 2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.433 2.645 2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.376 3.384 3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.329 2.894 2.138 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.645 3.881 0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.118 4.118 0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.030 5.520 -0.115 1.00 0.00 H new ATOM 832 N GLU A 52 0.733 6.729 5.102 1.00 0.00 N ATOM 833 CA GLU A 52 1.975 7.488 5.348 1.00 0.00 C ATOM 834 C GLU A 52 3.131 6.715 4.723 1.00 0.00 C ATOM 835 O GLU A 52 3.850 5.983 5.380 1.00 0.00 O ATOM 836 CB GLU A 52 2.178 7.636 6.856 1.00 0.00 C ATOM 837 CG GLU A 52 3.557 8.237 7.133 1.00 0.00 C ATOM 838 CD GLU A 52 3.418 9.405 8.111 1.00 0.00 C ATOM 839 OE1 GLU A 52 2.824 9.208 9.158 1.00 0.00 O ATOM 840 OE2 GLU A 52 3.908 10.477 7.796 1.00 0.00 O ATOM 0 H GLU A 52 0.382 6.202 5.902 1.00 0.00 H new ATOM 0 HA GLU A 52 1.922 8.483 4.907 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.401 8.274 7.277 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.090 6.664 7.342 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.219 7.478 7.549 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.009 8.580 6.203 1.00 0.00 H new ATOM 847 N TRP A 53 3.297 6.870 3.441 1.00 0.00 N ATOM 848 CA TRP A 53 4.383 6.161 2.728 1.00 0.00 C ATOM 849 C TRP A 53 5.671 6.974 2.878 1.00 0.00 C ATOM 850 O TRP A 53 5.756 8.103 2.437 1.00 0.00 O ATOM 851 CB TRP A 53 4.008 6.033 1.249 1.00 0.00 C ATOM 852 CG TRP A 53 4.694 4.846 0.657 1.00 0.00 C ATOM 853 CD1 TRP A 53 6.003 4.552 0.824 1.00 0.00 C ATOM 854 CD2 TRP A 53 4.141 3.792 -0.195 1.00 0.00 C ATOM 855 NE1 TRP A 53 6.293 3.392 0.132 1.00 0.00 N ATOM 856 CE2 TRP A 53 5.184 2.889 -0.511 1.00 0.00 C ATOM 857 CE3 TRP A 53 2.855 3.531 -0.722 1.00 0.00 C ATOM 858 CZ2 TRP A 53 4.970 1.775 -1.315 1.00 0.00 C ATOM 859 CZ3 TRP A 53 2.640 2.400 -1.539 1.00 0.00 C ATOM 860 CH2 TRP A 53 3.697 1.529 -1.834 1.00 0.00 C ATOM 0 H TRP A 53 2.716 7.467 2.852 1.00 0.00 H new ATOM 0 HA TRP A 53 4.531 5.164 3.143 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.928 5.930 1.145 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.295 6.937 0.711 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.707 5.130 1.404 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.217 2.960 0.101 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.036 4.198 -0.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.785 1.102 -1.537 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.656 2.205 -1.939 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.527 0.667 -2.463 1.00 0.00 H new ATOM 871 N ARG A 54 6.667 6.422 3.511 1.00 0.00 N ATOM 872 CA ARG A 54 7.935 7.179 3.699 1.00 0.00 C ATOM 873 C ARG A 54 8.856 6.934 2.497 1.00 0.00 C ATOM 874 O ARG A 54 8.472 7.158 1.367 1.00 0.00 O ATOM 875 CB ARG A 54 8.612 6.719 4.994 1.00 0.00 C ATOM 876 CG ARG A 54 7.770 7.154 6.195 1.00 0.00 C ATOM 877 CD ARG A 54 8.691 7.452 7.381 1.00 0.00 C ATOM 878 NE ARG A 54 9.470 8.692 7.104 1.00 0.00 N ATOM 879 CZ ARG A 54 10.097 9.300 8.075 1.00 0.00 C ATOM 880 NH1 ARG A 54 10.378 8.655 9.174 1.00 0.00 N ATOM 881 NH2 ARG A 54 10.443 10.552 7.945 1.00 0.00 N ATOM 0 H ARG A 54 6.658 5.481 3.906 1.00 0.00 H new ATOM 0 HA ARG A 54 7.725 8.246 3.770 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.727 5.635 4.991 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.613 7.146 5.065 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.186 8.039 5.942 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.061 6.369 6.459 1.00 0.00 H new ATOM 0 HD2 ARG A 54 8.103 7.575 8.290 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.368 6.614 7.549 1.00 0.00 H new ATOM 0 HE ARG A 54 9.513 9.066 6.156 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.108 7.677 9.274 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.868 9.129 9.933 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.224 11.055 7.085 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.933 11.027 8.703 1.00 0.00 H new ATOM 895 N GLN A 55 10.065 6.484 2.715 1.00 0.00 N ATOM 896 CA GLN A 55 10.973 6.246 1.562 1.00 0.00 C ATOM 897 C GLN A 55 10.230 5.452 0.488 1.00 0.00 C ATOM 898 O GLN A 55 9.771 4.351 0.721 1.00 0.00 O ATOM 899 CB GLN A 55 12.203 5.467 2.024 1.00 0.00 C ATOM 900 CG GLN A 55 12.774 6.112 3.290 1.00 0.00 C ATOM 901 CD GLN A 55 12.880 7.625 3.091 1.00 0.00 C ATOM 902 OE1 GLN A 55 12.029 8.369 3.538 1.00 0.00 O ATOM 903 NE2 GLN A 55 13.895 8.116 2.434 1.00 0.00 N ATOM 0 H GLN A 55 10.457 6.274 3.633 1.00 0.00 H new ATOM 0 HA GLN A 55 11.294 7.202 1.149 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.935 4.429 2.222 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.957 5.458 1.237 1.00 0.00 H new ATOM 0 HG2 GLN A 55 12.133 5.891 4.144 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.756 5.694 3.512 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.609 7.492 2.059 1.00 0.00 H new ATOM 0 HE22 GLN A 55 13.974 9.124 2.296 1.00 0.00 H new ATOM 912 N PHE A 56 10.100 6.006 -0.686 1.00 0.00 N ATOM 913 CA PHE A 56 9.378 5.291 -1.774 1.00 0.00 C ATOM 914 C PHE A 56 10.367 4.866 -2.861 1.00 0.00 C ATOM 915 O PHE A 56 10.462 3.705 -3.207 1.00 0.00 O ATOM 916 CB PHE A 56 8.335 6.224 -2.383 1.00 0.00 C ATOM 917 CG PHE A 56 7.165 5.413 -2.886 1.00 0.00 C ATOM 918 CD1 PHE A 56 7.374 4.390 -3.817 1.00 0.00 C ATOM 919 CD2 PHE A 56 5.872 5.685 -2.423 1.00 0.00 C ATOM 920 CE1 PHE A 56 6.292 3.639 -4.285 1.00 0.00 C ATOM 921 CE2 PHE A 56 4.789 4.933 -2.892 1.00 0.00 C ATOM 922 CZ PHE A 56 4.999 3.909 -3.824 1.00 0.00 C ATOM 0 H PHE A 56 10.464 6.925 -0.938 1.00 0.00 H new ATOM 0 HA PHE A 56 8.891 4.407 -1.362 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.998 6.945 -1.638 1.00 0.00 H new ATOM 0 HB3 PHE A 56 8.775 6.793 -3.202 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.371 4.180 -4.174 1.00 0.00 H new ATOM 0 HD2 PHE A 56 5.710 6.475 -1.704 1.00 0.00 H new ATOM 0 HE1 PHE A 56 6.454 2.849 -5.003 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.791 5.142 -2.535 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.164 3.328 -4.186 1.00 0.00 H new ATOM 932 N GLU A 57 11.102 5.796 -3.407 1.00 0.00 N ATOM 933 CA GLU A 57 12.078 5.436 -4.472 1.00 0.00 C ATOM 934 C GLU A 57 12.953 4.287 -3.982 1.00 0.00 C ATOM 935 O GLU A 57 13.225 3.351 -4.707 1.00 0.00 O ATOM 936 CB GLU A 57 12.961 6.635 -4.793 1.00 0.00 C ATOM 937 CG GLU A 57 12.230 7.565 -5.765 1.00 0.00 C ATOM 938 CD GLU A 57 13.129 7.864 -6.967 1.00 0.00 C ATOM 939 OE1 GLU A 57 14.123 7.175 -7.126 1.00 0.00 O ATOM 940 OE2 GLU A 57 12.807 8.777 -7.709 1.00 0.00 O ATOM 0 H GLU A 57 11.069 6.786 -3.162 1.00 0.00 H new ATOM 0 HA GLU A 57 11.537 5.137 -5.370 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.210 7.172 -3.878 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.901 6.300 -5.232 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.302 7.101 -6.099 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.959 8.493 -5.261 1.00 0.00 H new ATOM 947 N GLN A 58 13.392 4.342 -2.754 1.00 0.00 N ATOM 948 CA GLN A 58 14.232 3.243 -2.229 1.00 0.00 C ATOM 949 C GLN A 58 13.341 2.016 -2.075 1.00 0.00 C ATOM 950 O GLN A 58 13.769 0.891 -2.236 1.00 0.00 O ATOM 951 CB GLN A 58 14.847 3.639 -0.878 1.00 0.00 C ATOM 952 CG GLN A 58 13.816 3.486 0.243 1.00 0.00 C ATOM 953 CD GLN A 58 13.749 2.023 0.688 1.00 0.00 C ATOM 954 OE1 GLN A 58 12.679 1.460 0.802 1.00 0.00 O ATOM 955 NE2 GLN A 58 14.856 1.381 0.944 1.00 0.00 N ATOM 0 H GLN A 58 13.203 5.100 -2.098 1.00 0.00 H new ATOM 0 HA GLN A 58 15.054 3.029 -2.913 1.00 0.00 H new ATOM 0 HB2 GLN A 58 15.716 3.014 -0.670 1.00 0.00 H new ATOM 0 HB3 GLN A 58 15.198 4.670 -0.919 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.086 4.121 1.087 1.00 0.00 H new ATOM 0 HG3 GLN A 58 12.837 3.816 -0.103 1.00 0.00 H new ATOM 0 HE21 GLN A 58 15.754 1.855 0.848 1.00 0.00 H new ATOM 0 HE22 GLN A 58 14.823 0.405 1.240 1.00 0.00 H new ATOM 964 N SER A 59 12.088 2.240 -1.784 1.00 0.00 N ATOM 965 CA SER A 59 11.135 1.110 -1.644 1.00 0.00 C ATOM 966 C SER A 59 10.598 0.752 -3.031 1.00 0.00 C ATOM 967 O SER A 59 9.678 -0.030 -3.171 1.00 0.00 O ATOM 968 CB SER A 59 9.978 1.522 -0.734 1.00 0.00 C ATOM 969 OG SER A 59 10.036 0.767 0.470 1.00 0.00 O ATOM 0 H SER A 59 11.684 3.165 -1.637 1.00 0.00 H new ATOM 0 HA SER A 59 11.639 0.249 -1.205 1.00 0.00 H new ATOM 0 HB2 SER A 59 10.036 2.588 -0.512 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.026 1.353 -1.237 1.00 0.00 H new ATOM 0 HG SER A 59 10.965 0.708 0.775 1.00 0.00 H new ATOM 975 N LYS A 60 11.178 1.315 -4.063 1.00 0.00 N ATOM 976 CA LYS A 60 10.714 1.004 -5.444 1.00 0.00 C ATOM 977 C LYS A 60 11.775 0.160 -6.166 1.00 0.00 C ATOM 978 O LYS A 60 11.457 -0.743 -6.914 1.00 0.00 O ATOM 979 CB LYS A 60 10.494 2.313 -6.207 1.00 0.00 C ATOM 980 CG LYS A 60 10.321 2.020 -7.698 1.00 0.00 C ATOM 981 CD LYS A 60 10.283 3.338 -8.475 1.00 0.00 C ATOM 982 CE LYS A 60 10.814 3.112 -9.891 1.00 0.00 C ATOM 983 NZ LYS A 60 9.904 3.769 -10.873 1.00 0.00 N ATOM 0 H LYS A 60 11.953 1.976 -4.005 1.00 0.00 H new ATOM 0 HA LYS A 60 9.780 0.444 -5.399 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.612 2.825 -5.823 1.00 0.00 H new ATOM 0 HB3 LYS A 60 11.342 2.981 -6.054 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.142 1.398 -8.055 1.00 0.00 H new ATOM 0 HG3 LYS A 60 9.401 1.460 -7.865 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.263 3.720 -8.515 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.885 4.090 -7.965 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.821 3.519 -9.983 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.882 2.044 -10.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.264 3.616 -11.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.951 3.360 -10.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.861 4.790 -10.678 1.00 0.00 H new ATOM 997 N GLN A 61 13.032 0.451 -5.953 1.00 0.00 N ATOM 998 CA GLN A 61 14.111 -0.324 -6.630 1.00 0.00 C ATOM 999 C GLN A 61 14.127 -1.769 -6.119 1.00 0.00 C ATOM 1000 O GLN A 61 13.842 -2.694 -6.852 1.00 0.00 O ATOM 1001 CB GLN A 61 15.464 0.329 -6.337 1.00 0.00 C ATOM 1002 CG GLN A 61 15.629 1.578 -7.205 1.00 0.00 C ATOM 1003 CD GLN A 61 15.723 2.814 -6.308 1.00 0.00 C ATOM 1004 OE1 GLN A 61 16.414 2.802 -5.308 1.00 0.00 O ATOM 1005 NE2 GLN A 61 15.052 3.887 -6.624 1.00 0.00 N ATOM 0 H GLN A 61 13.358 1.195 -5.336 1.00 0.00 H new ATOM 0 HA GLN A 61 13.924 -0.328 -7.704 1.00 0.00 H new ATOM 0 HB2 GLN A 61 15.530 0.595 -5.282 1.00 0.00 H new ATOM 0 HB3 GLN A 61 16.271 -0.376 -6.539 1.00 0.00 H new ATOM 0 HG2 GLN A 61 16.526 1.492 -7.818 1.00 0.00 H new ATOM 0 HG3 GLN A 61 14.784 1.674 -7.887 1.00 0.00 H new ATOM 0 HE21 GLN A 61 14.472 3.897 -7.463 1.00 0.00 H new ATOM 0 HE22 GLN A 61 15.107 4.716 -6.032 1.00 0.00 H new ATOM 1014 N LEU A 62 14.465 -1.942 -4.863 1.00 0.00 N ATOM 1015 CA LEU A 62 14.524 -3.300 -4.219 1.00 0.00 C ATOM 1016 C LEU A 62 13.691 -4.306 -5.004 1.00 0.00 C ATOM 1017 O LEU A 62 14.214 -5.152 -5.701 1.00 0.00 O ATOM 1018 CB LEU A 62 13.969 -3.234 -2.785 1.00 0.00 C ATOM 1019 CG LEU A 62 13.579 -1.799 -2.404 1.00 0.00 C ATOM 1020 CD1 LEU A 62 12.447 -1.294 -3.311 1.00 0.00 C ATOM 1021 CD2 LEU A 62 13.105 -1.776 -0.949 1.00 0.00 C ATOM 0 H LEU A 62 14.710 -1.176 -4.236 1.00 0.00 H new ATOM 0 HA LEU A 62 15.567 -3.615 -4.206 1.00 0.00 H new ATOM 0 HB2 LEU A 62 13.099 -3.885 -2.699 1.00 0.00 H new ATOM 0 HB3 LEU A 62 14.717 -3.608 -2.086 1.00 0.00 H new ATOM 0 HG LEU A 62 14.447 -1.152 -2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 62 12.182 -0.275 -3.029 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.779 -1.308 -4.349 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.576 -1.940 -3.200 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.827 -0.759 -0.673 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.241 -2.432 -0.837 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.909 -2.121 -0.299 1.00 0.00 H new ATOM 1033 N THR A 63 12.397 -4.212 -4.901 1.00 0.00 N ATOM 1034 CA THR A 63 11.522 -5.148 -5.651 1.00 0.00 C ATOM 1035 C THR A 63 11.315 -4.585 -7.061 1.00 0.00 C ATOM 1036 O THR A 63 10.243 -4.163 -7.415 1.00 0.00 O ATOM 1037 CB THR A 63 10.173 -5.355 -4.912 1.00 0.00 C ATOM 1038 OG1 THR A 63 9.087 -4.932 -5.722 1.00 0.00 O ATOM 1039 CG2 THR A 63 10.147 -4.581 -3.587 1.00 0.00 C ATOM 0 H THR A 63 11.907 -3.525 -4.328 1.00 0.00 H new ATOM 0 HA THR A 63 11.993 -6.129 -5.720 1.00 0.00 H new ATOM 0 HB THR A 63 10.074 -6.420 -4.703 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.333 -4.111 -6.197 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.191 -4.743 -3.090 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.955 -4.932 -2.945 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.277 -3.517 -3.785 1.00 0.00 H new ATOM 1047 N GLU A 64 12.377 -4.578 -7.844 1.00 0.00 N ATOM 1048 CA GLU A 64 12.355 -4.057 -9.258 1.00 0.00 C ATOM 1049 C GLU A 64 10.982 -3.506 -9.651 1.00 0.00 C ATOM 1050 O GLU A 64 10.840 -2.327 -9.906 1.00 0.00 O ATOM 1051 CB GLU A 64 12.728 -5.194 -10.211 1.00 0.00 C ATOM 1052 CG GLU A 64 13.930 -4.775 -11.061 1.00 0.00 C ATOM 1053 CD GLU A 64 13.698 -5.190 -12.514 1.00 0.00 C ATOM 1054 OE1 GLU A 64 13.076 -4.428 -13.236 1.00 0.00 O ATOM 1055 OE2 GLU A 64 14.146 -6.264 -12.882 1.00 0.00 O ATOM 0 H GLU A 64 13.290 -4.925 -7.549 1.00 0.00 H new ATOM 0 HA GLU A 64 13.072 -3.239 -9.324 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.966 -6.094 -9.644 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.882 -5.436 -10.854 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.074 -3.696 -10.999 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.839 -5.241 -10.679 1.00 0.00 H new ATOM 1062 N ASN A 65 9.982 -4.358 -9.706 1.00 0.00 N ATOM 1063 CA ASN A 65 8.601 -3.914 -10.079 1.00 0.00 C ATOM 1064 C ASN A 65 8.392 -2.440 -9.719 1.00 0.00 C ATOM 1065 O ASN A 65 8.077 -1.631 -10.569 1.00 0.00 O ATOM 1066 CB ASN A 65 7.577 -4.770 -9.331 1.00 0.00 C ATOM 1067 CG ASN A 65 7.567 -6.182 -9.919 1.00 0.00 C ATOM 1068 OD1 ASN A 65 8.046 -7.113 -9.302 1.00 0.00 O ATOM 1069 ND2 ASN A 65 7.039 -6.383 -11.096 1.00 0.00 N ATOM 0 H ASN A 65 10.067 -5.354 -9.505 1.00 0.00 H new ATOM 0 HA ASN A 65 8.472 -4.032 -11.155 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.824 -4.808 -8.270 1.00 0.00 H new ATOM 0 HB3 ASN A 65 6.586 -4.324 -9.412 1.00 0.00 H new ATOM 0 HD21 ASN A 65 7.029 -7.321 -11.497 1.00 0.00 H new ATOM 0 HD22 ASN A 65 6.637 -5.602 -11.615 1.00 0.00 H new ATOM 1076 N GLY A 66 8.570 -2.070 -8.475 1.00 0.00 N ATOM 1077 CA GLY A 66 8.384 -0.645 -8.110 1.00 0.00 C ATOM 1078 C GLY A 66 7.076 -0.479 -7.348 1.00 0.00 C ATOM 1079 O GLY A 66 5.999 -0.573 -7.900 1.00 0.00 O ATOM 0 H GLY A 66 8.833 -2.690 -7.709 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.219 -0.304 -7.498 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.374 -0.027 -9.008 1.00 0.00 H new ATOM 1083 N ALA A 67 7.176 -0.228 -6.080 1.00 0.00 N ATOM 1084 CA ALA A 67 5.973 -0.040 -5.235 1.00 0.00 C ATOM 1085 C ALA A 67 5.067 1.038 -5.834 1.00 0.00 C ATOM 1086 O ALA A 67 3.906 1.148 -5.492 1.00 0.00 O ATOM 1087 CB ALA A 67 6.446 0.400 -3.863 1.00 0.00 C ATOM 0 H ALA A 67 8.062 -0.143 -5.582 1.00 0.00 H new ATOM 0 HA ALA A 67 5.405 -0.968 -5.174 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.585 0.549 -3.212 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.094 -0.367 -3.438 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.000 1.335 -3.951 1.00 0.00 H new ATOM 1093 N GLU A 68 5.587 1.832 -6.725 1.00 0.00 N ATOM 1094 CA GLU A 68 4.772 2.896 -7.349 1.00 0.00 C ATOM 1095 C GLU A 68 3.445 2.305 -7.848 1.00 0.00 C ATOM 1096 O GLU A 68 2.470 3.008 -8.021 1.00 0.00 O ATOM 1097 CB GLU A 68 5.602 3.525 -8.484 1.00 0.00 C ATOM 1098 CG GLU A 68 4.946 3.285 -9.840 1.00 0.00 C ATOM 1099 CD GLU A 68 5.622 4.155 -10.902 1.00 0.00 C ATOM 1100 OE1 GLU A 68 6.602 3.705 -11.472 1.00 0.00 O ATOM 1101 OE2 GLU A 68 5.148 5.256 -11.127 1.00 0.00 O ATOM 0 H GLU A 68 6.553 1.785 -7.048 1.00 0.00 H new ATOM 0 HA GLU A 68 4.518 3.677 -6.632 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.707 4.596 -8.312 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.606 3.102 -8.482 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.027 2.233 -10.113 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.883 3.520 -9.787 1.00 0.00 H new ATOM 1108 N SER A 69 3.400 1.020 -8.069 1.00 0.00 N ATOM 1109 CA SER A 69 2.136 0.389 -8.539 1.00 0.00 C ATOM 1110 C SER A 69 1.153 0.328 -7.370 1.00 0.00 C ATOM 1111 O SER A 69 0.027 0.779 -7.460 1.00 0.00 O ATOM 1112 CB SER A 69 2.427 -1.028 -9.031 1.00 0.00 C ATOM 1113 OG SER A 69 2.005 -1.154 -10.382 1.00 0.00 O ATOM 0 H SER A 69 4.184 0.380 -7.944 1.00 0.00 H new ATOM 0 HA SER A 69 1.710 0.973 -9.354 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.493 -1.241 -8.950 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.908 -1.755 -8.407 1.00 0.00 H new ATOM 0 HG SER A 69 2.320 -2.008 -10.745 1.00 0.00 H new ATOM 1119 N VAL A 70 1.583 -0.212 -6.263 1.00 0.00 N ATOM 1120 CA VAL A 70 0.701 -0.292 -5.075 1.00 0.00 C ATOM 1121 C VAL A 70 0.178 1.112 -4.794 1.00 0.00 C ATOM 1122 O VAL A 70 -0.994 1.322 -4.542 1.00 0.00 O ATOM 1123 CB VAL A 70 1.528 -0.808 -3.894 1.00 0.00 C ATOM 1124 CG1 VAL A 70 0.798 -0.558 -2.576 1.00 0.00 C ATOM 1125 CG2 VAL A 70 1.760 -2.312 -4.061 1.00 0.00 C ATOM 0 H VAL A 70 2.516 -0.603 -6.134 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.138 -0.968 -5.238 1.00 0.00 H new ATOM 0 HB VAL A 70 2.481 -0.278 -3.875 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.402 -0.932 -1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.632 0.512 -2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.161 -1.075 -2.588 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.349 -2.685 -3.223 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.800 -2.827 -4.088 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.297 -2.496 -4.992 1.00 0.00 H new ATOM 1135 N LEU A 71 1.044 2.081 -4.867 1.00 0.00 N ATOM 1136 CA LEU A 71 0.615 3.482 -4.640 1.00 0.00 C ATOM 1137 C LEU A 71 -0.393 3.852 -5.720 1.00 0.00 C ATOM 1138 O LEU A 71 -1.352 4.541 -5.474 1.00 0.00 O ATOM 1139 CB LEU A 71 1.823 4.398 -4.756 1.00 0.00 C ATOM 1140 CG LEU A 71 1.366 5.856 -4.764 1.00 0.00 C ATOM 1141 CD1 LEU A 71 0.954 6.269 -3.351 1.00 0.00 C ATOM 1142 CD2 LEU A 71 2.515 6.747 -5.241 1.00 0.00 C ATOM 0 H LEU A 71 2.035 1.960 -5.075 1.00 0.00 H new ATOM 0 HA LEU A 71 0.170 3.587 -3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.504 4.225 -3.923 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.374 4.175 -5.669 1.00 0.00 H new ATOM 0 HG LEU A 71 0.516 5.967 -5.437 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.628 7.309 -3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.136 5.634 -3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.804 6.159 -2.677 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.190 7.787 -5.247 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.365 6.636 -4.568 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.809 6.453 -6.248 1.00 0.00 H new ATOM 1154 N GLN A 72 -0.175 3.390 -6.918 1.00 0.00 N ATOM 1155 CA GLN A 72 -1.120 3.698 -8.027 1.00 0.00 C ATOM 1156 C GLN A 72 -2.498 3.177 -7.644 1.00 0.00 C ATOM 1157 O GLN A 72 -3.513 3.743 -7.990 1.00 0.00 O ATOM 1158 CB GLN A 72 -0.612 3.018 -9.319 1.00 0.00 C ATOM 1159 CG GLN A 72 -1.627 1.999 -9.864 1.00 0.00 C ATOM 1160 CD GLN A 72 -1.139 1.461 -11.209 1.00 0.00 C ATOM 1161 OE1 GLN A 72 -0.731 2.218 -12.067 1.00 0.00 O ATOM 1162 NE2 GLN A 72 -1.164 0.175 -11.432 1.00 0.00 N ATOM 0 H GLN A 72 0.622 2.809 -7.179 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.183 4.772 -8.201 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.416 3.777 -10.076 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.335 2.516 -9.118 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.751 1.179 -9.156 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.603 2.470 -9.981 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.506 -0.461 -10.712 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.841 -0.194 -12.326 1.00 0.00 H new ATOM 1171 N VAL A 73 -2.527 2.090 -6.944 1.00 0.00 N ATOM 1172 CA VAL A 73 -3.811 1.499 -6.532 1.00 0.00 C ATOM 1173 C VAL A 73 -4.367 2.277 -5.340 1.00 0.00 C ATOM 1174 O VAL A 73 -5.561 2.392 -5.167 1.00 0.00 O ATOM 1175 CB VAL A 73 -3.559 0.050 -6.150 1.00 0.00 C ATOM 1176 CG1 VAL A 73 -4.794 -0.539 -5.472 1.00 0.00 C ATOM 1177 CG2 VAL A 73 -3.209 -0.733 -7.421 1.00 0.00 C ATOM 0 H VAL A 73 -1.700 1.579 -6.636 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.538 1.545 -7.343 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.731 -0.013 -5.444 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.601 -1.578 -5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -5.022 0.032 -4.572 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.641 -0.493 -6.156 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.025 -1.777 -7.166 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.038 -0.673 -8.126 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.315 -0.307 -7.876 1.00 0.00 H new ATOM 1187 N PHE A 74 -3.511 2.812 -4.515 1.00 0.00 N ATOM 1188 CA PHE A 74 -4.009 3.586 -3.339 1.00 0.00 C ATOM 1189 C PHE A 74 -4.594 4.925 -3.814 1.00 0.00 C ATOM 1190 O PHE A 74 -5.591 5.398 -3.305 1.00 0.00 O ATOM 1191 CB PHE A 74 -2.853 3.846 -2.368 1.00 0.00 C ATOM 1192 CG PHE A 74 -2.820 2.764 -1.317 1.00 0.00 C ATOM 1193 CD1 PHE A 74 -3.681 2.830 -0.215 1.00 0.00 C ATOM 1194 CD2 PHE A 74 -1.926 1.694 -1.443 1.00 0.00 C ATOM 1195 CE1 PHE A 74 -3.648 1.826 0.760 1.00 0.00 C ATOM 1196 CE2 PHE A 74 -1.893 0.690 -0.468 1.00 0.00 C ATOM 1197 CZ PHE A 74 -2.754 0.757 0.633 1.00 0.00 C ATOM 0 H PHE A 74 -2.497 2.749 -4.601 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.785 3.013 -2.831 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.908 3.869 -2.910 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.974 4.821 -1.896 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.371 3.655 -0.117 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.261 1.643 -2.293 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.312 1.876 1.610 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.204 -0.136 -0.565 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.729 -0.017 1.386 1.00 0.00 H new ATOM 1207 N ARG A 75 -3.977 5.533 -4.790 1.00 0.00 N ATOM 1208 CA ARG A 75 -4.471 6.831 -5.315 1.00 0.00 C ATOM 1209 C ARG A 75 -5.609 6.581 -6.286 1.00 0.00 C ATOM 1210 O ARG A 75 -6.537 7.350 -6.379 1.00 0.00 O ATOM 1211 CB ARG A 75 -3.342 7.542 -6.043 1.00 0.00 C ATOM 1212 CG ARG A 75 -3.074 8.896 -5.385 1.00 0.00 C ATOM 1213 CD ARG A 75 -3.135 9.999 -6.443 1.00 0.00 C ATOM 1214 NE ARG A 75 -1.995 9.846 -7.389 1.00 0.00 N ATOM 1215 CZ ARG A 75 -2.006 10.478 -8.531 1.00 0.00 C ATOM 1216 NH1 ARG A 75 -2.988 10.292 -9.370 1.00 0.00 N ATOM 1217 NH2 ARG A 75 -1.035 11.296 -8.834 1.00 0.00 N ATOM 0 H ARG A 75 -3.139 5.177 -5.251 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.822 7.448 -4.488 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.440 6.931 -6.019 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.604 7.682 -7.092 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.811 9.085 -4.604 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -2.095 8.892 -4.905 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.080 9.946 -6.984 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.096 10.978 -5.965 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.206 9.248 -7.145 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.747 9.653 -9.133 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.997 10.786 -10.262 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.267 11.441 -8.178 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.044 11.790 -9.727 1.00 0.00 H new ATOM 1231 N GLU A 76 -5.544 5.498 -7.003 1.00 0.00 N ATOM 1232 CA GLU A 76 -6.630 5.170 -7.957 1.00 0.00 C ATOM 1233 C GLU A 76 -7.878 4.923 -7.124 1.00 0.00 C ATOM 1234 O GLU A 76 -8.940 5.441 -7.398 1.00 0.00 O ATOM 1235 CB GLU A 76 -6.255 3.906 -8.718 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.584 4.263 -10.045 1.00 0.00 C ATOM 1237 CD GLU A 76 -6.655 4.560 -11.096 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -7.814 4.647 -10.725 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -6.298 4.696 -12.255 1.00 0.00 O ATOM 0 H GLU A 76 -4.780 4.823 -6.968 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.795 5.972 -8.676 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.582 3.297 -8.115 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.147 3.307 -8.903 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.937 5.130 -9.915 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.952 3.440 -10.378 1.00 0.00 H new ATOM 1246 N ALA A 77 -7.733 4.161 -6.071 1.00 0.00 N ATOM 1247 CA ALA A 77 -8.876 3.909 -5.172 1.00 0.00 C ATOM 1248 C ALA A 77 -9.241 5.251 -4.557 1.00 0.00 C ATOM 1249 O ALA A 77 -10.399 5.591 -4.409 1.00 0.00 O ATOM 1250 CB ALA A 77 -8.477 2.913 -4.078 1.00 0.00 C ATOM 0 H ALA A 77 -6.862 3.704 -5.801 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.720 3.481 -5.713 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.328 2.735 -3.421 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.169 1.973 -4.536 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.650 3.322 -3.498 1.00 0.00 H new ATOM 1256 N LYS A 78 -8.247 6.047 -4.245 1.00 0.00 N ATOM 1257 CA LYS A 78 -8.529 7.396 -3.695 1.00 0.00 C ATOM 1258 C LYS A 78 -9.352 8.141 -4.736 1.00 0.00 C ATOM 1259 O LYS A 78 -10.136 9.020 -4.439 1.00 0.00 O ATOM 1260 CB LYS A 78 -7.211 8.135 -3.511 1.00 0.00 C ATOM 1261 CG LYS A 78 -7.295 9.054 -2.291 1.00 0.00 C ATOM 1262 CD LYS A 78 -7.211 10.513 -2.748 1.00 0.00 C ATOM 1263 CE LYS A 78 -7.329 11.437 -1.535 1.00 0.00 C ATOM 1264 NZ LYS A 78 -7.945 12.728 -1.954 1.00 0.00 N ATOM 0 H LYS A 78 -7.259 5.816 -4.349 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.054 7.329 -2.742 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.398 7.420 -3.383 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.984 8.720 -4.403 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.229 8.882 -1.756 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.484 8.831 -1.597 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.266 10.690 -3.262 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.007 10.728 -3.461 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.936 10.965 -0.763 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.345 11.615 -1.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.026 13.358 -1.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.349 13.179 -2.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.891 12.550 -2.348 1.00 0.00 H new ATOM 1278 N ALA A 79 -9.144 7.779 -5.966 1.00 0.00 N ATOM 1279 CA ALA A 79 -9.851 8.414 -7.093 1.00 0.00 C ATOM 1280 C ALA A 79 -11.250 7.820 -7.209 1.00 0.00 C ATOM 1281 O ALA A 79 -12.180 8.453 -7.666 1.00 0.00 O ATOM 1282 CB ALA A 79 -9.059 8.110 -8.360 1.00 0.00 C ATOM 0 H ALA A 79 -8.491 7.045 -6.240 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.937 9.490 -6.943 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.555 8.566 -9.217 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.052 8.515 -8.265 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.004 7.031 -8.504 1.00 0.00 H new ATOM 1288 N GLU A 80 -11.389 6.594 -6.802 1.00 0.00 N ATOM 1289 CA GLU A 80 -12.697 5.906 -6.879 1.00 0.00 C ATOM 1290 C GLU A 80 -13.672 6.492 -5.851 1.00 0.00 C ATOM 1291 O GLU A 80 -14.811 6.080 -5.762 1.00 0.00 O ATOM 1292 CB GLU A 80 -12.475 4.420 -6.604 1.00 0.00 C ATOM 1293 CG GLU A 80 -12.144 3.717 -7.919 1.00 0.00 C ATOM 1294 CD GLU A 80 -13.163 2.608 -8.182 1.00 0.00 C ATOM 1295 OE1 GLU A 80 -14.253 2.692 -7.641 1.00 0.00 O ATOM 1296 OE2 GLU A 80 -12.837 1.694 -8.922 1.00 0.00 O ATOM 0 H GLU A 80 -10.634 6.030 -6.412 1.00 0.00 H new ATOM 0 HA GLU A 80 -13.129 6.044 -7.870 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.662 4.286 -5.890 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.367 3.982 -6.157 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.154 4.435 -8.739 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.139 3.298 -7.875 1.00 0.00 H new ATOM 1303 N GLY A 81 -13.239 7.449 -5.076 1.00 0.00 N ATOM 1304 CA GLY A 81 -14.148 8.052 -4.061 1.00 0.00 C ATOM 1305 C GLY A 81 -13.629 7.730 -2.661 1.00 0.00 C ATOM 1306 O GLY A 81 -13.892 8.439 -1.710 1.00 0.00 O ATOM 0 H GLY A 81 -12.297 7.839 -5.102 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -14.203 9.132 -4.201 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -15.159 7.663 -4.185 1.00 0.00 H new ATOM 1310 N CYS A 82 -12.891 6.664 -2.529 1.00 0.00 N ATOM 1311 CA CYS A 82 -12.349 6.290 -1.198 1.00 0.00 C ATOM 1312 C CYS A 82 -11.617 7.488 -0.589 1.00 0.00 C ATOM 1313 O CYS A 82 -11.146 8.361 -1.291 1.00 0.00 O ATOM 1314 CB CYS A 82 -11.376 5.128 -1.372 1.00 0.00 C ATOM 1315 SG CYS A 82 -12.296 3.625 -1.785 1.00 0.00 S ATOM 0 H CYS A 82 -12.640 6.034 -3.291 1.00 0.00 H new ATOM 0 HA CYS A 82 -13.162 5.994 -0.535 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -10.658 5.356 -2.160 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -10.806 4.977 -0.456 1.00 0.00 H new ATOM 0 HG CYS A 82 -11.466 2.636 -1.935 1.00 0.00 H new ATOM 1321 N ASP A 83 -11.522 7.543 0.713 1.00 0.00 N ATOM 1322 CA ASP A 83 -10.826 8.689 1.360 1.00 0.00 C ATOM 1323 C ASP A 83 -9.468 8.235 1.907 1.00 0.00 C ATOM 1324 O ASP A 83 -9.218 8.277 3.095 1.00 0.00 O ATOM 1325 CB ASP A 83 -11.691 9.220 2.503 1.00 0.00 C ATOM 1326 CG ASP A 83 -11.215 10.618 2.899 1.00 0.00 C ATOM 1327 OD1 ASP A 83 -10.161 11.018 2.432 1.00 0.00 O ATOM 1328 OD2 ASP A 83 -11.912 11.266 3.662 1.00 0.00 O ATOM 0 H ASP A 83 -11.896 6.844 1.354 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.664 9.477 0.625 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.736 9.254 2.196 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.632 8.548 3.360 1.00 0.00 H new ATOM 1333 N ILE A 84 -8.588 7.811 1.042 1.00 0.00 N ATOM 1334 CA ILE A 84 -7.237 7.362 1.491 1.00 0.00 C ATOM 1335 C ILE A 84 -6.280 8.556 1.443 1.00 0.00 C ATOM 1336 O ILE A 84 -6.451 9.466 0.656 1.00 0.00 O ATOM 1337 CB ILE A 84 -6.733 6.279 0.535 1.00 0.00 C ATOM 1338 CG1 ILE A 84 -7.471 4.978 0.805 1.00 0.00 C ATOM 1339 CG2 ILE A 84 -5.233 6.053 0.725 1.00 0.00 C ATOM 1340 CD1 ILE A 84 -7.988 4.434 -0.521 1.00 0.00 C ATOM 0 H ILE A 84 -8.747 7.756 0.036 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.289 6.967 2.505 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.917 6.606 -0.489 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.806 4.256 1.278 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.299 5.147 1.494 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.892 5.280 0.037 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.697 6.980 0.523 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.040 5.738 1.750 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.521 3.499 -0.348 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.665 5.159 -0.973 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.148 4.254 -1.192 1.00 0.00 H new ATOM 1352 N THR A 85 -5.263 8.558 2.260 1.00 0.00 N ATOM 1353 CA THR A 85 -4.294 9.690 2.232 1.00 0.00 C ATOM 1354 C THR A 85 -2.995 9.205 1.591 1.00 0.00 C ATOM 1355 O THR A 85 -2.415 8.229 2.012 1.00 0.00 O ATOM 1356 CB THR A 85 -4.006 10.170 3.656 1.00 0.00 C ATOM 1357 OG1 THR A 85 -5.227 10.520 4.293 1.00 0.00 O ATOM 1358 CG2 THR A 85 -3.083 11.389 3.609 1.00 0.00 C ATOM 0 H THR A 85 -5.061 7.828 2.943 1.00 0.00 H new ATOM 0 HA THR A 85 -4.714 10.516 1.659 1.00 0.00 H new ATOM 0 HB THR A 85 -3.520 9.372 4.217 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.742 9.708 4.482 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.879 11.730 4.624 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.146 11.118 3.122 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.565 12.189 3.048 1.00 0.00 H new ATOM 1366 N ILE A 86 -2.531 9.869 0.574 1.00 0.00 N ATOM 1367 CA ILE A 86 -1.270 9.421 -0.075 1.00 0.00 C ATOM 1368 C ILE A 86 -0.122 10.323 0.373 1.00 0.00 C ATOM 1369 O ILE A 86 0.163 11.337 -0.232 1.00 0.00 O ATOM 1370 CB ILE A 86 -1.428 9.486 -1.593 1.00 0.00 C ATOM 1371 CG1 ILE A 86 -2.716 8.762 -1.998 1.00 0.00 C ATOM 1372 CG2 ILE A 86 -0.231 8.811 -2.262 1.00 0.00 C ATOM 1373 CD1 ILE A 86 -2.626 7.280 -1.615 1.00 0.00 C ATOM 0 H ILE A 86 -2.965 10.697 0.166 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.051 8.394 0.215 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.478 10.528 -1.911 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.572 9.222 -1.505 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.876 8.860 -3.072 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.345 8.858 -3.345 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.686 9.324 -1.971 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.179 7.769 -1.948 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.546 6.772 -1.906 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.781 6.822 -2.128 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.488 7.190 -0.538 1.00 0.00 H new ATOM 1385 N ILE A 87 0.537 9.957 1.438 1.00 0.00 N ATOM 1386 CA ILE A 87 1.666 10.784 1.943 1.00 0.00 C ATOM 1387 C ILE A 87 2.990 10.154 1.497 1.00 0.00 C ATOM 1388 O ILE A 87 3.209 8.970 1.655 1.00 0.00 O ATOM 1389 CB ILE A 87 1.590 10.839 3.475 1.00 0.00 C ATOM 1390 CG1 ILE A 87 0.564 11.895 3.890 1.00 0.00 C ATOM 1391 CG2 ILE A 87 2.955 11.203 4.063 1.00 0.00 C ATOM 1392 CD1 ILE A 87 0.202 11.703 5.364 1.00 0.00 C ATOM 0 H ILE A 87 0.340 9.117 1.982 1.00 0.00 H new ATOM 0 HA ILE A 87 1.606 11.796 1.543 1.00 0.00 H new ATOM 0 HB ILE A 87 1.293 9.860 3.851 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.970 12.894 3.731 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.330 11.812 3.271 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.885 11.238 5.150 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.689 10.452 3.771 1.00 0.00 H new ATOM 0 HG23 ILE A 87 3.264 12.178 3.688 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.529 12.455 5.660 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.221 10.709 5.508 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.098 11.808 5.975 1.00 0.00 H new ATOM 1404 N LEU A 88 3.871 10.936 0.936 1.00 0.00 N ATOM 1405 CA LEU A 88 5.175 10.378 0.479 1.00 0.00 C ATOM 1406 C LEU A 88 6.318 11.228 1.037 1.00 0.00 C ATOM 1407 O LEU A 88 6.674 12.249 0.483 1.00 0.00 O ATOM 1408 CB LEU A 88 5.226 10.392 -1.050 1.00 0.00 C ATOM 1409 CG LEU A 88 4.463 9.184 -1.595 1.00 0.00 C ATOM 1410 CD1 LEU A 88 3.059 9.616 -2.021 1.00 0.00 C ATOM 1411 CD2 LEU A 88 5.209 8.613 -2.803 1.00 0.00 C ATOM 0 H LEU A 88 3.745 11.935 0.775 1.00 0.00 H new ATOM 0 HA LEU A 88 5.278 9.354 0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.788 11.315 -1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.261 10.366 -1.391 1.00 0.00 H new ATOM 0 HG LEU A 88 4.388 8.422 -0.819 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.515 8.755 -2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.527 10.023 -1.161 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.133 10.378 -2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.666 7.752 -3.192 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.284 9.376 -3.578 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.210 8.304 -2.500 1.00 0.00 H new ATOM 1423 N SER A 89 6.896 10.814 2.132 1.00 0.00 N ATOM 1424 CA SER A 89 8.016 11.598 2.725 1.00 0.00 C ATOM 1425 C SER A 89 9.345 10.910 2.407 1.00 0.00 C ATOM 1426 O SER A 89 10.373 11.448 2.783 1.00 0.00 O ATOM 1427 CB SER A 89 7.834 11.681 4.241 1.00 0.00 C ATOM 1428 OG SER A 89 7.694 10.369 4.769 1.00 0.00 O ATOM 1429 OXT SER A 89 9.312 9.855 1.794 1.00 0.00 O ATOM 0 H SER A 89 6.641 9.968 2.641 1.00 0.00 H new ATOM 0 HA SER A 89 8.018 12.604 2.304 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.691 12.179 4.695 1.00 0.00 H new ATOM 0 HB3 SER A 89 6.954 12.278 4.481 1.00 0.00 H new ATOM 0 HG SER A 89 7.579 10.418 5.741 1.00 0.00 H new TER 1435 SER A 89