USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 863 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 93 LYS NZ :NH3+ -157:sc= -0.0914 (180deg=-0.536) USER MOD Set 1.2: A 108 THR OG1 : rot 120:sc= 0 USER MOD Set 2.1: A 89 LYS NZ :NH3+ -136:sc= -0.0234 (180deg=-0.526) USER MOD Set 2.2: A 110 MET CE :methyl -134:sc= -0.0134 (180deg=-1.41) USER MOD Set 3.1: A 78 SER OG : rot 180:sc= 0.429 USER MOD Set 3.2: A 105 LYS NZ :NH3+ 166:sc= 0.48 (180deg=0) USER MOD Set 4.1: A 34 TYR OH : rot 180:sc= -0.626 USER MOD Set 4.2: A 101 ASN : amide:sc= -3.24 K(o=-3.9,f=-14!) USER MOD Set 5.1: A 6 MET CE :methyl 171:sc= -1.37 (180deg=-1.15) USER MOD Set 5.2: A 20 CYS SG : rot 180:sc= -0.122 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 160:sc= 0.699 (180deg=0.471) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 CYS SG : rot 180:sc= -0.0337 USER MOD Single : A 7 TYR OH : rot 120:sc= 1.99 USER MOD Single : A 8 ASN : amide:sc= -0.546 X(o=-0.55,f=-0.5!) USER MOD Single : A 10 SER OG : rot 105:sc= 0.0744 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -0.0552 X(o=-0.055,f=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl 160:sc= -0.969 (180deg=-1.44) USER MOD Single : A 29 SER OG : rot 93:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 147:sc= -1.13 (180deg=-2.28!) USER MOD Single : A 46 MET CE :methyl 156:sc= -0.186 (180deg=-0.725) USER MOD Single : A 50 SER OG : rot 85:sc= 0.0789 USER MOD Single : A 55 THR OG1 : rot 57:sc= 0.0392 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 163:sc=-0.00767 (180deg=-0.142) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0211 USER MOD Single : A 71 ASN : amide:sc= -2.41 K(o=-2.4,f=-9.8!) USER MOD Single : A 74 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0511) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -165:sc= -4.21 (180deg=-6.27!) USER MOD Single : A 80 SER OG : rot 180:sc= -0.473 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=-0.0008) USER MOD Single : A 88 MET CE :methyl -127:sc= -0.258 (180deg=-1.95) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 73:sc= 0.0642 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0426) USER MOD Single : A 102 LYS NZ :NH3+ -163:sc= -0.0122 (180deg=-0.153) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.139 -0.313 -1.100 1.00 0.00 N ATOM 2 CA MET A 1 2.280 0.861 -0.996 1.00 0.00 C ATOM 3 C MET A 1 1.333 0.950 -2.188 1.00 0.00 C ATOM 4 O MET A 1 1.630 0.444 -3.270 1.00 0.00 O ATOM 5 CB MET A 1 3.128 2.132 -0.908 1.00 0.00 C ATOM 6 CG MET A 1 3.623 2.436 0.497 1.00 0.00 C ATOM 7 SD MET A 1 4.970 1.350 1.008 1.00 0.00 S ATOM 8 CE MET A 1 6.351 2.491 0.986 1.00 0.00 C ATOM 0 H1 MET A 1 3.976 -0.185 -0.496 1.00 0.00 H new ATOM 0 H2 MET A 1 2.614 -1.156 -0.791 1.00 0.00 H new ATOM 0 H3 MET A 1 3.441 -0.436 -2.088 1.00 0.00 H new ATOM 0 HA MET A 1 1.684 0.765 -0.088 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.986 2.033 -1.573 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.541 2.977 -1.268 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.959 3.472 0.544 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.795 2.337 1.199 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.260 1.967 1.280 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.474 2.894 -0.019 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.160 3.307 1.683 1.00 0.00 H new ATOM 18 N THR A 2 0.189 1.595 -1.982 1.00 0.00 N ATOM 19 CA THR A 2 -0.803 1.749 -3.039 1.00 0.00 C ATOM 20 C THR A 2 -0.518 2.984 -3.885 1.00 0.00 C ATOM 21 O THR A 2 -0.098 4.020 -3.368 1.00 0.00 O ATOM 22 CB THR A 2 -2.228 1.853 -2.462 1.00 0.00 C ATOM 23 OG1 THR A 2 -2.411 0.876 -1.430 1.00 0.00 O ATOM 24 CG2 THR A 2 -3.269 1.648 -3.551 1.00 0.00 C ATOM 0 H THR A 2 -0.074 2.019 -1.092 1.00 0.00 H new ATOM 0 HA THR A 2 -0.737 0.860 -3.666 1.00 0.00 H new ATOM 0 HB THR A 2 -2.355 2.851 -2.044 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.318 0.950 -1.067 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.267 1.726 -3.120 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.146 2.410 -4.320 1.00 0.00 H new ATOM 0 HG23 THR A 2 -3.142 0.661 -3.995 1.00 0.00 H new ATOM 32 N LEU A 3 -0.751 2.870 -5.188 1.00 0.00 N ATOM 33 CA LEU A 3 -0.520 3.979 -6.107 1.00 0.00 C ATOM 34 C LEU A 3 -1.839 4.530 -6.638 1.00 0.00 C ATOM 35 O LEU A 3 -2.516 3.883 -7.438 1.00 0.00 O ATOM 36 CB LEU A 3 0.363 3.527 -7.271 1.00 0.00 C ATOM 37 CG LEU A 3 1.738 2.974 -6.896 1.00 0.00 C ATOM 38 CD1 LEU A 3 2.550 2.669 -8.145 1.00 0.00 C ATOM 39 CD2 LEU A 3 2.481 3.955 -6.001 1.00 0.00 C ATOM 0 H LEU A 3 -1.100 2.021 -5.632 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.011 4.772 -5.560 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.174 2.762 -7.832 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.505 4.373 -7.943 1.00 0.00 H new ATOM 0 HG LEU A 3 1.596 2.045 -6.344 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.525 2.276 -7.858 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.025 1.929 -8.749 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.683 3.582 -8.725 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.458 3.545 -5.744 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.611 4.901 -6.527 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.907 4.123 -5.090 1.00 0.00 H new ATOM 51 N CYS A 4 -2.197 5.728 -6.189 1.00 0.00 N ATOM 52 CA CYS A 4 -3.436 6.367 -6.620 1.00 0.00 C ATOM 53 C CYS A 4 -3.144 7.630 -7.424 1.00 0.00 C ATOM 54 O CYS A 4 -2.292 8.434 -7.048 1.00 0.00 O ATOM 55 CB CYS A 4 -4.306 6.708 -5.410 1.00 0.00 C ATOM 56 SG CYS A 4 -4.509 5.345 -4.239 1.00 0.00 S ATOM 0 H CYS A 4 -1.648 6.276 -5.527 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.974 5.667 -7.259 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -3.867 7.559 -4.888 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -5.289 7.022 -5.760 1.00 0.00 H new ATOM 0 HG CYS A 4 -5.258 5.731 -3.249 1.00 0.00 H new ATOM 62 N ALA A 5 -3.857 7.796 -8.534 1.00 0.00 N ATOM 63 CA ALA A 5 -3.675 8.961 -9.391 1.00 0.00 C ATOM 64 C ALA A 5 -4.838 9.936 -9.246 1.00 0.00 C ATOM 65 O ALA A 5 -5.977 9.529 -9.020 1.00 0.00 O ATOM 66 CB ALA A 5 -3.523 8.529 -10.842 1.00 0.00 C ATOM 0 H ALA A 5 -4.565 7.139 -8.860 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.765 9.473 -9.078 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.388 9.409 -11.471 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -2.655 7.877 -10.938 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.417 7.991 -11.157 1.00 0.00 H new ATOM 72 N MET A 6 -4.544 11.225 -9.377 1.00 0.00 N ATOM 73 CA MET A 6 -5.566 12.258 -9.261 1.00 0.00 C ATOM 74 C MET A 6 -5.874 12.874 -10.622 1.00 0.00 C ATOM 75 O MET A 6 -4.986 13.405 -11.289 1.00 0.00 O ATOM 76 CB MET A 6 -5.113 13.347 -8.287 1.00 0.00 C ATOM 77 CG MET A 6 -5.379 13.007 -6.829 1.00 0.00 C ATOM 78 SD MET A 6 -6.969 13.630 -6.249 1.00 0.00 S ATOM 79 CE MET A 6 -7.795 12.100 -5.820 1.00 0.00 C ATOM 0 H MET A 6 -3.606 11.579 -9.564 1.00 0.00 H new ATOM 0 HA MET A 6 -6.474 11.793 -8.878 1.00 0.00 H new ATOM 0 HB2 MET A 6 -4.046 13.523 -8.422 1.00 0.00 H new ATOM 0 HB3 MET A 6 -5.623 14.278 -8.533 1.00 0.00 H new ATOM 0 HG2 MET A 6 -5.349 11.925 -6.701 1.00 0.00 H new ATOM 0 HG3 MET A 6 -4.583 13.424 -6.212 1.00 0.00 H new ATOM 0 HE1 MET A 6 -8.725 12.323 -5.298 1.00 0.00 H new ATOM 0 HE2 MET A 6 -8.014 11.538 -6.728 1.00 0.00 H new ATOM 0 HE3 MET A 6 -7.149 11.507 -5.173 1.00 0.00 H new ATOM 89 N TYR A 7 -7.137 12.798 -11.029 1.00 0.00 N ATOM 90 CA TYR A 7 -7.560 13.345 -12.312 1.00 0.00 C ATOM 91 C TYR A 7 -8.586 14.458 -12.118 1.00 0.00 C ATOM 92 O TYR A 7 -9.742 14.201 -11.787 1.00 0.00 O ATOM 93 CB TYR A 7 -8.150 12.241 -13.192 1.00 0.00 C ATOM 94 CG TYR A 7 -7.965 12.483 -14.673 1.00 0.00 C ATOM 95 CD1 TYR A 7 -8.383 13.671 -15.260 1.00 0.00 C ATOM 96 CD2 TYR A 7 -7.374 11.524 -15.485 1.00 0.00 C ATOM 97 CE1 TYR A 7 -8.217 13.897 -16.612 1.00 0.00 C ATOM 98 CE2 TYR A 7 -7.203 11.741 -16.838 1.00 0.00 C ATOM 99 CZ TYR A 7 -7.626 12.929 -17.397 1.00 0.00 C ATOM 100 OH TYR A 7 -7.458 13.149 -18.745 1.00 0.00 O ATOM 0 H TYR A 7 -7.885 12.363 -10.489 1.00 0.00 H new ATOM 0 HA TYR A 7 -6.683 13.765 -12.806 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.687 11.290 -12.927 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.215 12.147 -12.978 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -8.846 14.431 -14.648 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -7.042 10.592 -15.051 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.548 14.826 -17.052 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.741 10.985 -17.455 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.504 13.113 -18.966 1.00 0.00 H new ATOM 110 N ASN A 8 -8.151 15.697 -12.327 1.00 0.00 N ATOM 111 CA ASN A 8 -9.030 16.851 -12.175 1.00 0.00 C ATOM 112 C ASN A 8 -9.617 17.269 -13.520 1.00 0.00 C ATOM 113 O ASN A 8 -8.939 17.894 -14.336 1.00 0.00 O ATOM 114 CB ASN A 8 -8.267 18.021 -11.553 1.00 0.00 C ATOM 115 CG ASN A 8 -9.075 19.304 -11.553 1.00 0.00 C ATOM 116 OD1 ASN A 8 -9.271 19.928 -12.596 1.00 0.00 O ATOM 117 ND2 ASN A 8 -9.549 19.705 -10.379 1.00 0.00 N ATOM 0 H ASN A 8 -7.196 15.927 -12.602 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.849 16.568 -11.514 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.992 17.768 -10.529 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.339 18.179 -12.103 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -10.100 20.561 -10.317 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -9.362 19.157 -9.539 1.00 0.00 H new ATOM 124 N ILE A 9 -10.879 16.919 -13.744 1.00 0.00 N ATOM 125 CA ILE A 9 -11.556 17.259 -14.989 1.00 0.00 C ATOM 126 C ILE A 9 -12.657 18.287 -14.752 1.00 0.00 C ATOM 127 O ILE A 9 -13.517 18.105 -13.890 1.00 0.00 O ATOM 128 CB ILE A 9 -12.168 16.013 -15.655 1.00 0.00 C ATOM 129 CG1 ILE A 9 -12.824 16.389 -16.986 1.00 0.00 C ATOM 130 CG2 ILE A 9 -13.180 15.358 -14.727 1.00 0.00 C ATOM 131 CD1 ILE A 9 -13.425 15.210 -17.718 1.00 0.00 C ATOM 0 H ILE A 9 -11.453 16.400 -13.080 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.803 17.683 -15.653 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.370 15.297 -15.853 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.604 17.128 -16.801 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -12.081 16.864 -17.627 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.603 14.479 -15.213 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.686 15.059 -13.803 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.977 16.066 -14.500 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -13.872 15.551 -18.652 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.645 14.480 -17.934 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.192 14.748 -17.096 1.00 0.00 H new ATOM 143 N SER A 10 -12.626 19.368 -15.525 1.00 0.00 N ATOM 144 CA SER A 10 -13.620 20.427 -15.399 1.00 0.00 C ATOM 145 C SER A 10 -14.139 20.852 -16.769 1.00 0.00 C ATOM 146 O SER A 10 -13.366 21.249 -17.641 1.00 0.00 O ATOM 147 CB SER A 10 -13.022 21.633 -14.670 1.00 0.00 C ATOM 148 OG SER A 10 -12.400 22.522 -15.582 1.00 0.00 O ATOM 0 H SER A 10 -11.923 19.533 -16.245 1.00 0.00 H new ATOM 0 HA SER A 10 -14.457 20.039 -14.818 1.00 0.00 H new ATOM 0 HB2 SER A 10 -13.806 22.157 -14.123 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.293 21.293 -13.934 1.00 0.00 H new ATOM 0 HG SER A 10 -12.966 23.312 -15.706 1.00 0.00 H new ATOM 154 N MET A 11 -15.452 20.766 -16.951 1.00 0.00 N ATOM 155 CA MET A 11 -16.075 21.143 -18.214 1.00 0.00 C ATOM 156 C MET A 11 -16.321 22.647 -18.272 1.00 0.00 C ATOM 157 O MET A 11 -16.627 23.275 -17.259 1.00 0.00 O ATOM 158 CB MET A 11 -17.394 20.391 -18.402 1.00 0.00 C ATOM 159 CG MET A 11 -17.809 20.245 -19.856 1.00 0.00 C ATOM 160 SD MET A 11 -18.841 21.611 -20.425 1.00 0.00 S ATOM 161 CE MET A 11 -18.365 21.699 -22.149 1.00 0.00 C ATOM 0 H MET A 11 -16.106 20.438 -16.240 1.00 0.00 H new ATOM 0 HA MET A 11 -15.393 20.873 -19.021 1.00 0.00 H new ATOM 0 HB2 MET A 11 -17.304 19.400 -17.957 1.00 0.00 H new ATOM 0 HB3 MET A 11 -18.181 20.914 -17.859 1.00 0.00 H new ATOM 0 HG2 MET A 11 -16.917 20.184 -20.480 1.00 0.00 H new ATOM 0 HG3 MET A 11 -18.351 19.308 -19.983 1.00 0.00 H new ATOM 0 HE1 MET A 11 -18.919 22.499 -22.639 1.00 0.00 H new ATOM 0 HE2 MET A 11 -17.296 21.901 -22.222 1.00 0.00 H new ATOM 0 HE3 MET A 11 -18.589 20.751 -22.637 1.00 0.00 H new ATOM 171 N ALA A 12 -16.185 23.219 -19.464 1.00 0.00 N ATOM 172 CA ALA A 12 -16.395 24.649 -19.653 1.00 0.00 C ATOM 173 C ALA A 12 -17.737 25.088 -19.079 1.00 0.00 C ATOM 174 O ALA A 12 -18.793 24.752 -19.615 1.00 0.00 O ATOM 175 CB ALA A 12 -16.309 25.004 -21.130 1.00 0.00 C ATOM 0 H ALA A 12 -15.930 22.714 -20.313 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.609 25.180 -19.116 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -16.468 26.075 -21.257 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -15.324 24.735 -21.512 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -17.074 24.456 -21.681 1.00 0.00 H new ATOM 181 N GLY A 13 -17.690 25.841 -17.984 1.00 0.00 N ATOM 182 CA GLY A 13 -18.910 26.313 -17.355 1.00 0.00 C ATOM 183 C GLY A 13 -19.401 25.377 -16.269 1.00 0.00 C ATOM 184 O GLY A 13 -20.605 25.250 -16.048 1.00 0.00 O ATOM 0 H GLY A 13 -16.829 26.133 -17.521 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -18.736 27.301 -16.928 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -19.686 26.425 -18.112 1.00 0.00 H new ATOM 188 N SER A 14 -18.467 24.720 -15.589 1.00 0.00 N ATOM 189 CA SER A 14 -18.812 23.786 -14.523 1.00 0.00 C ATOM 190 C SER A 14 -17.665 23.651 -13.527 1.00 0.00 C ATOM 191 O SER A 14 -16.496 23.812 -13.882 1.00 0.00 O ATOM 192 CB SER A 14 -19.158 22.416 -15.109 1.00 0.00 C ATOM 193 OG SER A 14 -19.938 21.656 -14.202 1.00 0.00 O ATOM 0 H SER A 14 -17.466 24.817 -15.757 1.00 0.00 H new ATOM 0 HA SER A 14 -19.682 24.178 -13.997 1.00 0.00 H new ATOM 0 HB2 SER A 14 -19.703 22.544 -16.044 1.00 0.00 H new ATOM 0 HB3 SER A 14 -18.241 21.876 -15.346 1.00 0.00 H new ATOM 0 HG SER A 14 -20.148 20.786 -14.600 1.00 0.00 H new ATOM 199 N HIS A 15 -18.006 23.354 -12.277 1.00 0.00 N ATOM 200 CA HIS A 15 -17.005 23.196 -11.228 1.00 0.00 C ATOM 201 C HIS A 15 -16.067 22.035 -11.542 1.00 0.00 C ATOM 202 O HIS A 15 -16.377 21.155 -12.346 1.00 0.00 O ATOM 203 CB HIS A 15 -17.684 22.968 -9.877 1.00 0.00 C ATOM 204 CG HIS A 15 -18.005 24.235 -9.146 1.00 0.00 C ATOM 205 ND1 HIS A 15 -18.184 24.291 -7.780 1.00 0.00 N ATOM 206 CD2 HIS A 15 -18.177 25.499 -9.599 1.00 0.00 C ATOM 207 CE1 HIS A 15 -18.455 25.534 -7.425 1.00 0.00 C ATOM 208 NE2 HIS A 15 -18.456 26.287 -8.510 1.00 0.00 N ATOM 0 H HIS A 15 -18.968 23.218 -11.966 1.00 0.00 H new ATOM 0 HA HIS A 15 -16.416 24.112 -11.181 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -18.604 22.405 -10.033 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -17.036 22.353 -9.253 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -18.108 25.827 -10.626 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -18.644 25.876 -6.418 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -18.635 27.291 -8.535 1.00 0.00 H new ATOM 216 N PRO A 16 -14.892 22.031 -10.896 1.00 0.00 N ATOM 217 CA PRO A 16 -13.884 20.984 -11.091 1.00 0.00 C ATOM 218 C PRO A 16 -14.321 19.644 -10.508 1.00 0.00 C ATOM 219 O PRO A 16 -14.903 19.587 -9.424 1.00 0.00 O ATOM 220 CB PRO A 16 -12.664 21.522 -10.340 1.00 0.00 C ATOM 221 CG PRO A 16 -13.227 22.439 -9.309 1.00 0.00 C ATOM 222 CD PRO A 16 -14.456 23.049 -9.925 1.00 0.00 C ATOM 0 HA PRO A 16 -13.699 20.788 -12.147 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -12.093 20.714 -9.882 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.987 22.050 -11.012 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.476 21.896 -8.397 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.505 23.208 -9.035 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.224 23.247 -9.178 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -14.233 23.999 -10.411 1.00 0.00 H new ATOM 230 N THR A 17 -14.035 18.567 -11.233 1.00 0.00 N ATOM 231 CA THR A 17 -14.399 17.228 -10.788 1.00 0.00 C ATOM 232 C THR A 17 -13.161 16.406 -10.450 1.00 0.00 C ATOM 233 O THR A 17 -12.352 16.093 -11.324 1.00 0.00 O ATOM 234 CB THR A 17 -15.219 16.484 -11.858 1.00 0.00 C ATOM 235 OG1 THR A 17 -16.440 17.185 -12.116 1.00 0.00 O ATOM 236 CG2 THR A 17 -15.529 15.063 -11.412 1.00 0.00 C ATOM 0 H THR A 17 -13.552 18.596 -12.131 1.00 0.00 H new ATOM 0 HA THR A 17 -15.008 17.347 -9.892 1.00 0.00 H new ATOM 0 HB THR A 17 -14.626 16.440 -12.772 1.00 0.00 H new ATOM 0 HG1 THR A 17 -16.954 16.706 -12.799 1.00 0.00 H new ATOM 0 HG21 THR A 17 -16.109 14.558 -12.184 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.597 14.522 -11.246 1.00 0.00 H new ATOM 0 HG23 THR A 17 -16.103 15.089 -10.486 1.00 0.00 H new ATOM 244 N THR A 18 -13.017 16.056 -9.175 1.00 0.00 N ATOM 245 CA THR A 18 -11.877 15.270 -8.721 1.00 0.00 C ATOM 246 C THR A 18 -12.128 13.779 -8.909 1.00 0.00 C ATOM 247 O THR A 18 -12.910 13.174 -8.175 1.00 0.00 O ATOM 248 CB THR A 18 -11.560 15.544 -7.239 1.00 0.00 C ATOM 249 OG1 THR A 18 -11.485 16.955 -7.006 1.00 0.00 O ATOM 250 CG2 THR A 18 -10.249 14.887 -6.836 1.00 0.00 C ATOM 0 H THR A 18 -13.677 16.305 -8.438 1.00 0.00 H new ATOM 0 HA THR A 18 -11.023 15.571 -9.328 1.00 0.00 H new ATOM 0 HB THR A 18 -12.361 15.119 -6.634 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.285 17.120 -6.061 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.046 15.094 -5.785 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.321 13.810 -6.986 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.439 15.285 -7.447 1.00 0.00 H new ATOM 258 N ILE A 19 -11.460 13.190 -9.895 1.00 0.00 N ATOM 259 CA ILE A 19 -11.610 11.768 -10.177 1.00 0.00 C ATOM 260 C ILE A 19 -10.359 10.993 -9.777 1.00 0.00 C ATOM 261 O ILE A 19 -9.331 11.064 -10.451 1.00 0.00 O ATOM 262 CB ILE A 19 -11.900 11.518 -11.669 1.00 0.00 C ATOM 263 CG1 ILE A 19 -12.968 12.490 -12.174 1.00 0.00 C ATOM 264 CG2 ILE A 19 -12.341 10.078 -11.888 1.00 0.00 C ATOM 265 CD1 ILE A 19 -13.315 12.302 -13.634 1.00 0.00 C ATOM 0 H ILE A 19 -10.809 13.676 -10.512 1.00 0.00 H new ATOM 0 HA ILE A 19 -12.456 11.417 -9.587 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.984 11.688 -12.235 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -13.871 12.368 -11.576 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -12.620 13.511 -12.020 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -12.542 9.916 -12.947 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.551 9.402 -11.561 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.246 9.883 -11.313 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -14.078 13.025 -13.923 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.423 12.453 -14.242 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.694 11.292 -13.791 1.00 0.00 H new ATOM 277 N CYS A 20 -10.455 10.254 -8.678 1.00 0.00 N ATOM 278 CA CYS A 20 -9.331 9.464 -8.188 1.00 0.00 C ATOM 279 C CYS A 20 -9.309 8.085 -8.840 1.00 0.00 C ATOM 280 O CYS A 20 -10.229 7.287 -8.660 1.00 0.00 O ATOM 281 CB CYS A 20 -9.406 9.320 -6.667 1.00 0.00 C ATOM 282 SG CYS A 20 -7.889 8.696 -5.908 1.00 0.00 S ATOM 0 H CYS A 20 -11.299 10.185 -8.109 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.411 9.986 -8.452 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -9.644 10.291 -6.232 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -10.227 8.649 -6.417 1.00 0.00 H new ATOM 0 HG CYS A 20 -8.051 8.612 -4.621 1.00 0.00 H new ATOM 288 N VAL A 21 -8.254 7.813 -9.601 1.00 0.00 N ATOM 289 CA VAL A 21 -8.112 6.531 -10.282 1.00 0.00 C ATOM 290 C VAL A 21 -6.724 5.941 -10.059 1.00 0.00 C ATOM 291 O VAL A 21 -5.712 6.608 -10.275 1.00 0.00 O ATOM 292 CB VAL A 21 -8.362 6.669 -11.795 1.00 0.00 C ATOM 293 CG1 VAL A 21 -8.407 5.300 -12.456 1.00 0.00 C ATOM 294 CG2 VAL A 21 -9.649 7.438 -12.054 1.00 0.00 C ATOM 0 H VAL A 21 -7.485 8.463 -9.762 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.860 5.862 -9.857 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.536 7.230 -12.233 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.585 5.418 -13.525 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.457 4.789 -12.300 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.212 4.710 -12.017 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.810 7.526 -13.128 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.487 6.906 -11.604 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.573 8.433 -11.616 1.00 0.00 H new ATOM 304 N VAL A 22 -6.684 4.685 -9.625 1.00 0.00 N ATOM 305 CA VAL A 22 -5.420 4.003 -9.374 1.00 0.00 C ATOM 306 C VAL A 22 -4.496 4.096 -10.583 1.00 0.00 C ATOM 307 O VAL A 22 -4.954 4.195 -11.721 1.00 0.00 O ATOM 308 CB VAL A 22 -5.643 2.520 -9.024 1.00 0.00 C ATOM 309 CG1 VAL A 22 -6.401 2.388 -7.712 1.00 0.00 C ATOM 310 CG2 VAL A 22 -6.382 1.813 -10.150 1.00 0.00 C ATOM 0 H VAL A 22 -7.512 4.119 -9.440 1.00 0.00 H new ATOM 0 HA VAL A 22 -4.953 4.503 -8.525 1.00 0.00 H new ATOM 0 HB VAL A 22 -4.670 2.043 -8.902 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.549 1.333 -7.482 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.828 2.857 -6.912 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.370 2.879 -7.801 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.531 0.766 -9.886 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.350 2.290 -10.306 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -5.795 1.876 -11.066 1.00 0.00 H new ATOM 320 N MET A 23 -3.192 4.063 -10.328 1.00 0.00 N ATOM 321 CA MET A 23 -2.203 4.142 -11.396 1.00 0.00 C ATOM 322 C MET A 23 -2.432 3.045 -12.431 1.00 0.00 C ATOM 323 O MET A 23 -2.068 3.193 -13.597 1.00 0.00 O ATOM 324 CB MET A 23 -0.789 4.029 -10.821 1.00 0.00 C ATOM 325 CG MET A 23 0.288 3.878 -11.882 1.00 0.00 C ATOM 326 SD MET A 23 0.297 5.240 -13.063 1.00 0.00 S ATOM 327 CE MET A 23 2.047 5.364 -13.424 1.00 0.00 C ATOM 0 H MET A 23 -2.796 3.982 -9.391 1.00 0.00 H new ATOM 0 HA MET A 23 -2.312 5.109 -11.887 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.577 4.915 -10.223 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.747 3.173 -10.148 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.263 3.816 -11.398 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.137 2.940 -12.416 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.187 5.890 -14.368 1.00 0.00 H new ATOM 0 HE2 MET A 23 2.545 5.913 -12.625 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.475 4.364 -13.499 1.00 0.00 H new ATOM 337 N ASP A 24 -3.036 1.944 -11.996 1.00 0.00 N ATOM 338 CA ASP A 24 -3.314 0.823 -12.885 1.00 0.00 C ATOM 339 C ASP A 24 -4.412 1.179 -13.883 1.00 0.00 C ATOM 340 O ASP A 24 -4.483 0.610 -14.972 1.00 0.00 O ATOM 341 CB ASP A 24 -3.723 -0.409 -12.075 1.00 0.00 C ATOM 342 CG ASP A 24 -2.922 -0.553 -10.797 1.00 0.00 C ATOM 343 OD1 ASP A 24 -1.684 -0.690 -10.884 1.00 0.00 O ATOM 344 OD2 ASP A 24 -3.533 -0.527 -9.708 1.00 0.00 O ATOM 0 H ASP A 24 -3.342 1.805 -11.033 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.403 0.597 -13.440 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.783 -0.344 -11.830 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.591 -1.302 -12.686 1.00 0.00 H new ATOM 349 N ARG A 25 -5.266 2.123 -13.502 1.00 0.00 N ATOM 350 CA ARG A 25 -6.362 2.554 -14.362 1.00 0.00 C ATOM 351 C ARG A 25 -6.192 4.014 -14.769 1.00 0.00 C ATOM 352 O ARG A 25 -7.096 4.617 -15.349 1.00 0.00 O ATOM 353 CB ARG A 25 -7.702 2.364 -13.649 1.00 0.00 C ATOM 354 CG ARG A 25 -8.297 0.977 -13.829 1.00 0.00 C ATOM 355 CD ARG A 25 -7.755 0.001 -12.796 1.00 0.00 C ATOM 356 NE ARG A 25 -8.156 -1.375 -13.080 1.00 0.00 N ATOM 357 CZ ARG A 25 -7.579 -2.132 -14.005 1.00 0.00 C ATOM 358 NH1 ARG A 25 -6.580 -1.651 -14.733 1.00 0.00 N ATOM 359 NH2 ARG A 25 -7.999 -3.375 -14.205 1.00 0.00 N ATOM 0 H ARG A 25 -5.220 2.604 -12.604 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.347 1.940 -15.263 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.568 2.557 -12.585 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -8.410 3.105 -14.021 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -9.382 1.032 -13.745 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.072 0.611 -14.831 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.667 0.064 -12.773 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -8.112 0.286 -11.806 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.921 -1.776 -12.538 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.253 -0.697 -14.583 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.139 -2.236 -15.443 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.766 -3.750 -13.647 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.554 -3.955 -14.916 1.00 0.00 H new ATOM 373 N PHE A 26 -5.029 4.577 -14.461 1.00 0.00 N ATOM 374 CA PHE A 26 -4.741 5.968 -14.793 1.00 0.00 C ATOM 375 C PHE A 26 -4.670 6.162 -16.305 1.00 0.00 C ATOM 376 O PHE A 26 -5.392 6.984 -16.872 1.00 0.00 O ATOM 377 CB PHE A 26 -3.424 6.406 -14.149 1.00 0.00 C ATOM 378 CG PHE A 26 -2.912 7.720 -14.665 1.00 0.00 C ATOM 379 CD1 PHE A 26 -3.725 8.843 -14.668 1.00 0.00 C ATOM 380 CD2 PHE A 26 -1.618 7.834 -15.149 1.00 0.00 C ATOM 381 CE1 PHE A 26 -3.257 10.054 -15.142 1.00 0.00 C ATOM 382 CE2 PHE A 26 -1.145 9.042 -15.623 1.00 0.00 C ATOM 383 CZ PHE A 26 -1.965 10.153 -15.621 1.00 0.00 C ATOM 0 H PHE A 26 -4.270 4.092 -13.982 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.551 6.584 -14.402 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.563 6.478 -13.070 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.671 5.638 -14.323 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -4.736 8.771 -14.295 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.972 6.968 -15.156 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.900 10.921 -15.138 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.134 9.118 -15.995 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.597 11.098 -15.993 1.00 0.00 H new ATOM 393 N LEU A 27 -3.794 5.402 -16.953 1.00 0.00 N ATOM 394 CA LEU A 27 -3.627 5.490 -18.399 1.00 0.00 C ATOM 395 C LEU A 27 -4.951 5.247 -19.116 1.00 0.00 C ATOM 396 O LEU A 27 -5.333 6.004 -20.008 1.00 0.00 O ATOM 397 CB LEU A 27 -2.583 4.478 -18.874 1.00 0.00 C ATOM 398 CG LEU A 27 -2.312 4.449 -20.379 1.00 0.00 C ATOM 399 CD1 LEU A 27 -2.199 5.863 -20.928 1.00 0.00 C ATOM 400 CD2 LEU A 27 -1.048 3.656 -20.678 1.00 0.00 C ATOM 0 H LEU A 27 -3.188 4.718 -16.500 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.284 6.496 -18.640 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.645 4.686 -18.360 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.903 3.483 -18.563 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.151 3.956 -20.871 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.006 5.823 -22.000 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.131 6.399 -20.747 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.379 6.382 -20.431 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.871 3.646 -21.753 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.200 4.120 -20.175 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.167 2.633 -20.320 1.00 0.00 H new ATOM 412 N GLU A 28 -5.647 4.187 -18.718 1.00 0.00 N ATOM 413 CA GLU A 28 -6.930 3.845 -19.323 1.00 0.00 C ATOM 414 C GLU A 28 -7.922 4.995 -19.179 1.00 0.00 C ATOM 415 O GLU A 28 -8.579 5.386 -20.143 1.00 0.00 O ATOM 416 CB GLU A 28 -7.501 2.580 -18.679 1.00 0.00 C ATOM 417 CG GLU A 28 -8.824 2.136 -19.280 1.00 0.00 C ATOM 418 CD GLU A 28 -8.768 2.019 -20.791 1.00 0.00 C ATOM 419 OE1 GLU A 28 -8.795 3.067 -21.469 1.00 0.00 O ATOM 420 OE2 GLU A 28 -8.698 0.878 -21.295 1.00 0.00 O ATOM 0 H GLU A 28 -5.345 3.551 -17.980 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.765 3.661 -20.385 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.776 1.772 -18.780 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.637 2.755 -17.612 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.107 1.173 -18.855 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.602 2.848 -19.003 1.00 0.00 H new ATOM 427 N SER A 29 -8.026 5.532 -17.967 1.00 0.00 N ATOM 428 CA SER A 29 -8.941 6.633 -17.694 1.00 0.00 C ATOM 429 C SER A 29 -8.677 7.804 -18.636 1.00 0.00 C ATOM 430 O SER A 29 -9.600 8.345 -19.247 1.00 0.00 O ATOM 431 CB SER A 29 -8.803 7.092 -16.241 1.00 0.00 C ATOM 432 OG SER A 29 -9.724 8.127 -15.943 1.00 0.00 O ATOM 0 H SER A 29 -7.487 5.222 -17.158 1.00 0.00 H new ATOM 0 HA SER A 29 -9.958 6.277 -17.859 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.971 6.248 -15.572 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.787 7.443 -16.062 1.00 0.00 H new ATOM 0 HG SER A 29 -10.544 7.739 -15.572 1.00 0.00 H new ATOM 438 N PHE A 30 -7.411 8.192 -18.748 1.00 0.00 N ATOM 439 CA PHE A 30 -7.024 9.299 -19.615 1.00 0.00 C ATOM 440 C PHE A 30 -7.395 9.009 -21.066 1.00 0.00 C ATOM 441 O PHE A 30 -7.893 9.882 -21.777 1.00 0.00 O ATOM 442 CB PHE A 30 -5.521 9.561 -19.503 1.00 0.00 C ATOM 443 CG PHE A 30 -5.100 10.887 -20.067 1.00 0.00 C ATOM 444 CD1 PHE A 30 -4.946 11.056 -21.434 1.00 0.00 C ATOM 445 CD2 PHE A 30 -4.857 11.965 -19.231 1.00 0.00 C ATOM 446 CE1 PHE A 30 -4.558 12.276 -21.955 1.00 0.00 C ATOM 447 CE2 PHE A 30 -4.469 13.188 -19.747 1.00 0.00 C ATOM 448 CZ PHE A 30 -4.320 13.343 -21.111 1.00 0.00 C ATOM 0 H PHE A 30 -6.635 7.756 -18.249 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.566 10.188 -19.291 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.229 9.512 -18.454 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.982 8.767 -20.021 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.131 10.226 -22.099 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.972 11.849 -18.163 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.441 12.395 -23.022 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.283 14.020 -19.084 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.018 14.297 -21.517 1.00 0.00 H new ATOM 458 N SER A 31 -7.147 7.777 -21.499 1.00 0.00 N ATOM 459 CA SER A 31 -7.450 7.372 -22.867 1.00 0.00 C ATOM 460 C SER A 31 -8.927 7.586 -23.182 1.00 0.00 C ATOM 461 O SER A 31 -9.275 8.192 -24.195 1.00 0.00 O ATOM 462 CB SER A 31 -7.079 5.903 -23.080 1.00 0.00 C ATOM 463 OG SER A 31 -7.591 5.422 -24.311 1.00 0.00 O ATOM 0 H SER A 31 -6.737 7.042 -20.923 1.00 0.00 H new ATOM 0 HA SER A 31 -6.859 7.990 -23.543 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.995 5.792 -23.065 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.472 5.303 -22.259 1.00 0.00 H new ATOM 0 HG SER A 31 -7.339 4.482 -24.425 1.00 0.00 H new ATOM 469 N GLU A 32 -9.792 7.084 -22.306 1.00 0.00 N ATOM 470 CA GLU A 32 -11.232 7.220 -22.491 1.00 0.00 C ATOM 471 C GLU A 32 -11.669 8.672 -22.317 1.00 0.00 C ATOM 472 O GLU A 32 -12.644 9.116 -22.924 1.00 0.00 O ATOM 473 CB GLU A 32 -11.982 6.327 -21.501 1.00 0.00 C ATOM 474 CG GLU A 32 -13.491 6.505 -21.544 1.00 0.00 C ATOM 475 CD GLU A 32 -14.088 6.107 -22.880 1.00 0.00 C ATOM 476 OE1 GLU A 32 -13.824 6.807 -23.880 1.00 0.00 O ATOM 477 OE2 GLU A 32 -14.818 5.095 -22.925 1.00 0.00 O ATOM 0 H GLU A 32 -9.521 6.580 -21.462 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.473 6.906 -23.507 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.741 5.285 -21.710 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.628 6.540 -20.492 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.946 5.907 -20.754 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.736 7.547 -21.337 1.00 0.00 H new ATOM 484 N LEU A 33 -10.941 9.406 -21.482 1.00 0.00 N ATOM 485 CA LEU A 33 -11.252 10.807 -21.226 1.00 0.00 C ATOM 486 C LEU A 33 -11.110 11.638 -22.497 1.00 0.00 C ATOM 487 O LEU A 33 -11.970 12.461 -22.813 1.00 0.00 O ATOM 488 CB LEU A 33 -10.335 11.363 -20.135 1.00 0.00 C ATOM 489 CG LEU A 33 -10.871 12.563 -19.353 1.00 0.00 C ATOM 490 CD1 LEU A 33 -11.030 13.768 -20.267 1.00 0.00 C ATOM 491 CD2 LEU A 33 -12.196 12.217 -18.689 1.00 0.00 C ATOM 0 H LEU A 33 -10.132 9.054 -20.971 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.287 10.867 -20.888 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.118 10.562 -19.428 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.389 11.648 -20.595 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.151 12.816 -18.574 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.412 14.612 -19.693 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.063 14.029 -20.696 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.729 13.527 -21.068 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.563 13.082 -18.137 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.923 11.938 -19.452 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.052 11.383 -18.002 1.00 0.00 H new ATOM 503 N TYR A 34 -10.021 11.416 -23.224 1.00 0.00 N ATOM 504 CA TYR A 34 -9.766 12.144 -24.461 1.00 0.00 C ATOM 505 C TYR A 34 -10.890 11.920 -25.467 1.00 0.00 C ATOM 506 O TYR A 34 -11.083 12.714 -26.388 1.00 0.00 O ATOM 507 CB TYR A 34 -8.430 11.710 -25.067 1.00 0.00 C ATOM 508 CG TYR A 34 -8.204 12.230 -26.469 1.00 0.00 C ATOM 509 CD1 TYR A 34 -8.157 13.594 -26.726 1.00 0.00 C ATOM 510 CD2 TYR A 34 -8.035 11.356 -27.536 1.00 0.00 C ATOM 511 CE1 TYR A 34 -7.951 14.073 -28.005 1.00 0.00 C ATOM 512 CE2 TYR A 34 -7.827 11.826 -28.818 1.00 0.00 C ATOM 513 CZ TYR A 34 -7.787 13.185 -29.048 1.00 0.00 C ATOM 514 OH TYR A 34 -7.580 13.658 -30.324 1.00 0.00 O ATOM 0 H TYR A 34 -9.300 10.737 -22.978 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.722 13.207 -24.224 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.620 12.056 -24.425 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.383 10.621 -25.080 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.284 14.292 -25.912 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.067 10.291 -27.360 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.918 15.137 -28.188 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.696 11.133 -29.636 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.483 12.903 -30.941 1.00 0.00 H new ATOM 524 N ASP A 35 -11.630 10.832 -25.284 1.00 0.00 N ATOM 525 CA ASP A 35 -12.738 10.501 -26.174 1.00 0.00 C ATOM 526 C ASP A 35 -14.020 11.197 -25.727 1.00 0.00 C ATOM 527 O ASP A 35 -14.633 11.939 -26.495 1.00 0.00 O ATOM 528 CB ASP A 35 -12.952 8.987 -26.215 1.00 0.00 C ATOM 529 CG ASP A 35 -12.433 8.364 -27.496 1.00 0.00 C ATOM 530 OD1 ASP A 35 -11.215 8.101 -27.577 1.00 0.00 O ATOM 531 OD2 ASP A 35 -13.246 8.137 -28.416 1.00 0.00 O ATOM 0 H ASP A 35 -11.483 10.164 -24.527 1.00 0.00 H new ATOM 0 HA ASP A 35 -12.486 10.851 -27.175 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.451 8.529 -25.362 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.015 8.770 -26.114 1.00 0.00 H new ATOM 536 N ILE A 36 -14.418 10.952 -24.484 1.00 0.00 N ATOM 537 CA ILE A 36 -15.626 11.555 -23.936 1.00 0.00 C ATOM 538 C ILE A 36 -15.528 13.077 -23.933 1.00 0.00 C ATOM 539 O ILE A 36 -16.510 13.773 -24.194 1.00 0.00 O ATOM 540 CB ILE A 36 -15.899 11.067 -22.501 1.00 0.00 C ATOM 541 CG1 ILE A 36 -17.170 11.717 -21.951 1.00 0.00 C ATOM 542 CG2 ILE A 36 -14.710 11.371 -21.603 1.00 0.00 C ATOM 543 CD1 ILE A 36 -17.527 11.258 -20.554 1.00 0.00 C ATOM 0 H ILE A 36 -13.921 10.340 -23.837 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.451 11.247 -24.578 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.046 9.987 -22.522 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -17.043 12.800 -21.948 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -18.001 11.496 -22.621 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.918 11.020 -20.592 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -13.825 10.865 -21.988 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.534 12.446 -21.585 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -18.438 11.759 -20.228 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.687 10.180 -20.555 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.714 11.504 -19.871 1.00 0.00 H new ATOM 555 N ILE A 37 -14.337 13.587 -23.638 1.00 0.00 N ATOM 556 CA ILE A 37 -14.110 15.026 -23.604 1.00 0.00 C ATOM 557 C ILE A 37 -14.418 15.663 -24.954 1.00 0.00 C ATOM 558 O ILE A 37 -14.785 16.836 -25.030 1.00 0.00 O ATOM 559 CB ILE A 37 -12.658 15.358 -23.211 1.00 0.00 C ATOM 560 CG1 ILE A 37 -12.527 16.842 -22.863 1.00 0.00 C ATOM 561 CG2 ILE A 37 -11.707 14.987 -24.339 1.00 0.00 C ATOM 562 CD1 ILE A 37 -12.619 17.125 -21.379 1.00 0.00 C ATOM 0 H ILE A 37 -13.515 13.025 -23.419 1.00 0.00 H new ATOM 0 HA ILE A 37 -14.784 15.434 -22.851 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.393 14.773 -22.330 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -11.572 17.212 -23.237 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -13.309 17.399 -23.380 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -10.685 15.227 -24.047 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.784 13.919 -24.544 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.970 15.548 -25.236 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.518 18.196 -21.206 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -13.584 16.786 -21.003 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.821 16.596 -20.858 1.00 0.00 H new ATOM 574 N ASP A 38 -14.267 14.883 -26.018 1.00 0.00 N ATOM 575 CA ASP A 38 -14.532 15.370 -27.367 1.00 0.00 C ATOM 576 C ASP A 38 -15.866 14.839 -27.884 1.00 0.00 C ATOM 577 O ASP A 38 -16.046 14.654 -29.087 1.00 0.00 O ATOM 578 CB ASP A 38 -13.403 14.955 -28.313 1.00 0.00 C ATOM 579 CG ASP A 38 -13.274 15.885 -29.503 1.00 0.00 C ATOM 580 OD1 ASP A 38 -13.321 17.117 -29.301 1.00 0.00 O ATOM 581 OD2 ASP A 38 -13.126 15.382 -30.637 1.00 0.00 O ATOM 0 H ASP A 38 -13.962 13.911 -25.973 1.00 0.00 H new ATOM 0 HA ASP A 38 -14.584 16.458 -27.330 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -12.461 14.938 -27.765 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -13.584 13.940 -28.667 1.00 0.00 H new ATOM 586 N GLU A 39 -16.796 14.597 -26.966 1.00 0.00 N ATOM 587 CA GLU A 39 -18.113 14.086 -27.331 1.00 0.00 C ATOM 588 C GLU A 39 -19.213 15.032 -26.858 1.00 0.00 C ATOM 589 O GLU A 39 -20.389 14.832 -27.159 1.00 0.00 O ATOM 590 CB GLU A 39 -18.328 12.695 -26.731 1.00 0.00 C ATOM 591 CG GLU A 39 -17.682 11.579 -27.535 1.00 0.00 C ATOM 592 CD GLU A 39 -18.383 11.330 -28.856 1.00 0.00 C ATOM 593 OE1 GLU A 39 -19.589 11.008 -28.837 1.00 0.00 O ATOM 594 OE2 GLU A 39 -17.724 11.459 -29.910 1.00 0.00 O ATOM 0 H GLU A 39 -16.663 14.746 -25.966 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.160 14.016 -28.418 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -17.928 12.680 -25.717 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -19.398 12.503 -26.654 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -16.638 11.830 -27.724 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -17.688 10.662 -26.946 1.00 0.00 H new ATOM 601 N ASN A 40 -18.821 16.061 -26.114 1.00 0.00 N ATOM 602 CA ASN A 40 -19.774 17.037 -25.597 1.00 0.00 C ATOM 603 C ASN A 40 -20.921 16.345 -24.868 1.00 0.00 C ATOM 604 O ASN A 40 -22.046 16.844 -24.843 1.00 0.00 O ATOM 605 CB ASN A 40 -20.324 17.896 -26.738 1.00 0.00 C ATOM 606 CG ASN A 40 -19.369 19.003 -27.141 1.00 0.00 C ATOM 607 OD1 ASN A 40 -18.352 18.755 -27.788 1.00 0.00 O ATOM 608 ND2 ASN A 40 -19.694 20.232 -26.758 1.00 0.00 N ATOM 0 H ASN A 40 -17.851 16.241 -25.856 1.00 0.00 H new ATOM 0 HA ASN A 40 -19.251 17.678 -24.887 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -20.526 17.262 -27.601 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -21.275 18.333 -26.434 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -19.090 21.018 -26.999 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -20.548 20.390 -26.223 1.00 0.00 H new ATOM 615 N ASP A 41 -20.628 15.193 -24.275 1.00 0.00 N ATOM 616 CA ASP A 41 -21.634 14.432 -23.543 1.00 0.00 C ATOM 617 C ASP A 41 -21.452 14.597 -22.038 1.00 0.00 C ATOM 618 O ASP A 41 -20.672 13.878 -21.412 1.00 0.00 O ATOM 619 CB ASP A 41 -21.558 12.951 -23.919 1.00 0.00 C ATOM 620 CG ASP A 41 -22.841 12.208 -23.606 1.00 0.00 C ATOM 621 OD1 ASP A 41 -23.816 12.861 -23.179 1.00 0.00 O ATOM 622 OD2 ASP A 41 -22.871 10.972 -23.788 1.00 0.00 O ATOM 0 H ASP A 41 -19.702 14.766 -24.287 1.00 0.00 H new ATOM 0 HA ASP A 41 -22.616 14.818 -23.817 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -21.339 12.860 -24.983 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -20.731 12.485 -23.383 1.00 0.00 H new ATOM 627 N THR A 42 -22.176 15.551 -21.460 1.00 0.00 N ATOM 628 CA THR A 42 -22.093 15.813 -20.029 1.00 0.00 C ATOM 629 C THR A 42 -23.022 14.893 -19.247 1.00 0.00 C ATOM 630 O THR A 42 -22.887 14.745 -18.032 1.00 0.00 O ATOM 631 CB THR A 42 -22.446 17.277 -19.705 1.00 0.00 C ATOM 632 OG1 THR A 42 -21.883 18.147 -20.693 1.00 0.00 O ATOM 633 CG2 THR A 42 -21.930 17.666 -18.327 1.00 0.00 C ATOM 0 H THR A 42 -22.827 16.155 -21.962 1.00 0.00 H new ATOM 0 HA THR A 42 -21.062 15.621 -19.732 1.00 0.00 H new ATOM 0 HB THR A 42 -23.532 17.375 -19.711 1.00 0.00 H new ATOM 0 HG1 THR A 42 -22.113 19.076 -20.481 1.00 0.00 H new ATOM 0 HG21 THR A 42 -22.191 18.704 -18.120 1.00 0.00 H new ATOM 0 HG22 THR A 42 -22.382 17.021 -17.574 1.00 0.00 H new ATOM 0 HG23 THR A 42 -20.846 17.552 -18.299 1.00 0.00 H new ATOM 641 N ASP A 43 -23.966 14.276 -19.950 1.00 0.00 N ATOM 642 CA ASP A 43 -24.917 13.368 -19.321 1.00 0.00 C ATOM 643 C ASP A 43 -24.243 12.055 -18.936 1.00 0.00 C ATOM 644 O ASP A 43 -24.663 11.381 -17.995 1.00 0.00 O ATOM 645 CB ASP A 43 -26.093 13.095 -20.261 1.00 0.00 C ATOM 646 CG ASP A 43 -27.221 12.350 -19.576 1.00 0.00 C ATOM 647 OD1 ASP A 43 -27.619 12.765 -18.467 1.00 0.00 O ATOM 648 OD2 ASP A 43 -27.706 11.351 -20.147 1.00 0.00 O ATOM 0 H ASP A 43 -24.093 14.389 -20.956 1.00 0.00 H new ATOM 0 HA ASP A 43 -25.289 13.844 -18.414 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -26.470 14.041 -20.651 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -25.744 12.515 -21.115 1.00 0.00 H new ATOM 653 N VAL A 44 -23.195 11.696 -19.671 1.00 0.00 N ATOM 654 CA VAL A 44 -22.462 10.464 -19.407 1.00 0.00 C ATOM 655 C VAL A 44 -21.306 10.708 -18.443 1.00 0.00 C ATOM 656 O VAL A 44 -20.757 9.769 -17.866 1.00 0.00 O ATOM 657 CB VAL A 44 -21.910 9.850 -20.707 1.00 0.00 C ATOM 658 CG1 VAL A 44 -20.891 10.781 -21.348 1.00 0.00 C ATOM 659 CG2 VAL A 44 -21.298 8.484 -20.433 1.00 0.00 C ATOM 0 H VAL A 44 -22.835 12.241 -20.454 1.00 0.00 H new ATOM 0 HA VAL A 44 -23.168 9.767 -18.955 1.00 0.00 H new ATOM 0 HB VAL A 44 -22.736 9.719 -21.406 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -20.512 10.330 -22.265 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -21.365 11.734 -21.581 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -20.064 10.947 -20.657 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -20.913 8.065 -21.363 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -20.483 8.588 -19.717 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -22.059 7.820 -20.023 1.00 0.00 H new ATOM 669 N MET A 45 -20.942 11.975 -18.272 1.00 0.00 N ATOM 670 CA MET A 45 -19.852 12.342 -17.376 1.00 0.00 C ATOM 671 C MET A 45 -20.065 11.746 -15.988 1.00 0.00 C ATOM 672 O MET A 45 -19.169 11.113 -15.431 1.00 0.00 O ATOM 673 CB MET A 45 -19.736 13.864 -17.277 1.00 0.00 C ATOM 674 CG MET A 45 -18.738 14.462 -18.255 1.00 0.00 C ATOM 675 SD MET A 45 -17.030 14.261 -17.713 1.00 0.00 S ATOM 676 CE MET A 45 -16.979 15.392 -16.325 1.00 0.00 C ATOM 0 H MET A 45 -21.386 12.764 -18.742 1.00 0.00 H new ATOM 0 HA MET A 45 -18.926 11.940 -17.787 1.00 0.00 H new ATOM 0 HB2 MET A 45 -20.716 14.307 -17.454 1.00 0.00 H new ATOM 0 HB3 MET A 45 -19.443 14.133 -16.262 1.00 0.00 H new ATOM 0 HG2 MET A 45 -18.864 13.991 -19.230 1.00 0.00 H new ATOM 0 HG3 MET A 45 -18.952 15.523 -18.383 1.00 0.00 H new ATOM 0 HE1 MET A 45 -16.299 15.005 -15.565 1.00 0.00 H new ATOM 0 HE2 MET A 45 -16.629 16.367 -16.663 1.00 0.00 H new ATOM 0 HE3 MET A 45 -17.978 15.493 -15.901 1.00 0.00 H new ATOM 686 N MET A 46 -21.257 11.953 -15.436 1.00 0.00 N ATOM 687 CA MET A 46 -21.586 11.434 -14.114 1.00 0.00 C ATOM 688 C MET A 46 -21.285 9.942 -14.024 1.00 0.00 C ATOM 689 O MET A 46 -20.669 9.480 -13.063 1.00 0.00 O ATOM 690 CB MET A 46 -23.061 11.688 -13.796 1.00 0.00 C ATOM 691 CG MET A 46 -24.009 11.202 -14.880 1.00 0.00 C ATOM 692 SD MET A 46 -25.691 11.812 -14.657 1.00 0.00 S ATOM 693 CE MET A 46 -25.458 13.564 -14.946 1.00 0.00 C ATOM 0 H MET A 46 -22.010 12.476 -15.884 1.00 0.00 H new ATOM 0 HA MET A 46 -20.968 11.955 -13.383 1.00 0.00 H new ATOM 0 HB2 MET A 46 -23.312 11.194 -12.857 1.00 0.00 H new ATOM 0 HB3 MET A 46 -23.213 12.757 -13.645 1.00 0.00 H new ATOM 0 HG2 MET A 46 -23.637 11.522 -15.853 1.00 0.00 H new ATOM 0 HG3 MET A 46 -24.020 10.112 -14.886 1.00 0.00 H new ATOM 0 HE1 MET A 46 -26.401 14.009 -15.264 1.00 0.00 H new ATOM 0 HE2 MET A 46 -25.123 14.043 -14.026 1.00 0.00 H new ATOM 0 HE3 MET A 46 -24.708 13.708 -15.724 1.00 0.00 H new ATOM 703 N ASP A 47 -21.722 9.193 -15.031 1.00 0.00 N ATOM 704 CA ASP A 47 -21.498 7.753 -15.066 1.00 0.00 C ATOM 705 C ASP A 47 -20.009 7.437 -15.179 1.00 0.00 C ATOM 706 O ASP A 47 -19.522 6.473 -14.589 1.00 0.00 O ATOM 707 CB ASP A 47 -22.256 7.125 -16.237 1.00 0.00 C ATOM 708 CG ASP A 47 -21.902 5.665 -16.440 1.00 0.00 C ATOM 709 OD1 ASP A 47 -22.112 4.868 -15.502 1.00 0.00 O ATOM 710 OD2 ASP A 47 -21.414 5.320 -17.536 1.00 0.00 O ATOM 0 H ASP A 47 -22.233 9.560 -15.834 1.00 0.00 H new ATOM 0 HA ASP A 47 -21.871 7.330 -14.134 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -23.328 7.215 -16.062 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -22.034 7.680 -17.149 1.00 0.00 H new ATOM 715 N PHE A 48 -19.293 8.255 -15.943 1.00 0.00 N ATOM 716 CA PHE A 48 -17.860 8.062 -16.136 1.00 0.00 C ATOM 717 C PHE A 48 -17.102 8.273 -14.829 1.00 0.00 C ATOM 718 O PHE A 48 -16.201 7.505 -14.491 1.00 0.00 O ATOM 719 CB PHE A 48 -17.335 9.021 -17.206 1.00 0.00 C ATOM 720 CG PHE A 48 -15.835 9.069 -17.283 1.00 0.00 C ATOM 721 CD1 PHE A 48 -15.134 8.100 -17.982 1.00 0.00 C ATOM 722 CD2 PHE A 48 -15.128 10.083 -16.658 1.00 0.00 C ATOM 723 CE1 PHE A 48 -13.754 8.141 -18.055 1.00 0.00 C ATOM 724 CE2 PHE A 48 -13.748 10.129 -16.727 1.00 0.00 C ATOM 725 CZ PHE A 48 -13.060 9.157 -17.428 1.00 0.00 C ATOM 0 H PHE A 48 -19.681 9.058 -16.439 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.697 7.036 -16.467 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -17.731 8.722 -18.176 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -17.713 10.023 -17.002 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -15.671 7.304 -18.475 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -15.661 10.846 -16.111 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -13.219 7.379 -18.602 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -13.208 10.924 -16.234 1.00 0.00 H new ATOM 0 HZ PHE A 48 -11.982 9.192 -17.485 1.00 0.00 H new ATOM 735 N ILE A 49 -17.473 9.320 -14.100 1.00 0.00 N ATOM 736 CA ILE A 49 -16.829 9.632 -12.830 1.00 0.00 C ATOM 737 C ILE A 49 -17.149 8.578 -11.777 1.00 0.00 C ATOM 738 O ILE A 49 -16.278 8.165 -11.011 1.00 0.00 O ATOM 739 CB ILE A 49 -17.261 11.014 -12.305 1.00 0.00 C ATOM 740 CG1 ILE A 49 -16.892 12.105 -13.312 1.00 0.00 C ATOM 741 CG2 ILE A 49 -16.617 11.293 -10.955 1.00 0.00 C ATOM 742 CD1 ILE A 49 -17.871 13.258 -13.340 1.00 0.00 C ATOM 0 H ILE A 49 -18.216 9.966 -14.367 1.00 0.00 H new ATOM 0 HA ILE A 49 -15.755 9.642 -13.015 1.00 0.00 H new ATOM 0 HB ILE A 49 -18.343 11.015 -12.177 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -15.900 12.487 -13.074 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -16.833 11.665 -14.307 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.932 12.273 -10.597 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -16.925 10.530 -10.240 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.532 11.276 -11.059 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -17.546 13.993 -14.076 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -18.861 12.889 -13.608 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.912 13.724 -12.356 1.00 0.00 H new ATOM 754 N SER A 50 -18.405 8.143 -11.745 1.00 0.00 N ATOM 755 CA SER A 50 -18.842 7.137 -10.783 1.00 0.00 C ATOM 756 C SER A 50 -18.309 5.759 -11.160 1.00 0.00 C ATOM 757 O SER A 50 -18.133 4.893 -10.303 1.00 0.00 O ATOM 758 CB SER A 50 -20.369 7.103 -10.708 1.00 0.00 C ATOM 759 OG SER A 50 -20.881 8.312 -10.175 1.00 0.00 O ATOM 0 H SER A 50 -19.138 8.471 -12.374 1.00 0.00 H new ATOM 0 HA SER A 50 -18.443 7.407 -9.805 1.00 0.00 H new ATOM 0 HB2 SER A 50 -20.781 6.937 -11.703 1.00 0.00 H new ATOM 0 HB3 SER A 50 -20.687 6.265 -10.088 1.00 0.00 H new ATOM 0 HG SER A 50 -20.968 8.975 -10.892 1.00 0.00 H new ATOM 765 N ARG A 51 -18.054 5.562 -12.450 1.00 0.00 N ATOM 766 CA ARG A 51 -17.542 4.289 -12.942 1.00 0.00 C ATOM 767 C ARG A 51 -16.059 4.136 -12.616 1.00 0.00 C ATOM 768 O ARG A 51 -15.627 3.099 -12.111 1.00 0.00 O ATOM 769 CB ARG A 51 -17.757 4.178 -14.452 1.00 0.00 C ATOM 770 CG ARG A 51 -17.114 2.947 -15.070 1.00 0.00 C ATOM 771 CD ARG A 51 -17.721 2.623 -16.426 1.00 0.00 C ATOM 772 NE ARG A 51 -16.796 1.877 -17.276 1.00 0.00 N ATOM 773 CZ ARG A 51 -17.079 1.501 -18.518 1.00 0.00 C ATOM 774 NH1 ARG A 51 -18.256 1.799 -19.052 1.00 0.00 N ATOM 775 NH2 ARG A 51 -16.185 0.825 -19.228 1.00 0.00 N ATOM 0 H ARG A 51 -18.194 6.268 -13.173 1.00 0.00 H new ATOM 0 HA ARG A 51 -18.090 3.489 -12.444 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -18.827 4.160 -14.658 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -17.354 5.069 -14.934 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -16.042 3.111 -15.180 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -17.239 2.095 -14.401 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -18.633 2.042 -16.286 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -18.006 3.549 -16.926 1.00 0.00 H new ATOM 0 HE ARG A 51 -15.882 1.631 -16.895 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -18.946 2.318 -18.509 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -18.471 1.509 -20.006 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.279 0.594 -18.820 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -16.404 0.537 -20.182 1.00 0.00 H new ATOM 789 N PHE A 52 -15.284 5.175 -12.909 1.00 0.00 N ATOM 790 CA PHE A 52 -13.850 5.156 -12.648 1.00 0.00 C ATOM 791 C PHE A 52 -13.559 5.446 -11.179 1.00 0.00 C ATOM 792 O PHE A 52 -12.906 4.658 -10.497 1.00 0.00 O ATOM 793 CB PHE A 52 -13.136 6.181 -13.533 1.00 0.00 C ATOM 794 CG PHE A 52 -12.683 5.623 -14.852 1.00 0.00 C ATOM 795 CD1 PHE A 52 -13.522 5.647 -15.954 1.00 0.00 C ATOM 796 CD2 PHE A 52 -11.418 5.074 -14.989 1.00 0.00 C ATOM 797 CE1 PHE A 52 -13.108 5.134 -17.168 1.00 0.00 C ATOM 798 CE2 PHE A 52 -10.999 4.559 -16.201 1.00 0.00 C ATOM 799 CZ PHE A 52 -11.845 4.590 -17.293 1.00 0.00 C ATOM 0 H PHE A 52 -15.625 6.040 -13.327 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.477 4.159 -12.883 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.806 7.022 -13.714 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -12.271 6.572 -12.997 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -14.511 6.072 -15.863 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -10.752 5.048 -14.139 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -13.772 5.158 -18.019 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -10.011 4.133 -16.295 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.519 4.190 -18.242 1.00 0.00 H new ATOM 809 N ALA A 53 -14.050 6.584 -10.698 1.00 0.00 N ATOM 810 CA ALA A 53 -13.845 6.979 -9.310 1.00 0.00 C ATOM 811 C ALA A 53 -14.759 6.193 -8.376 1.00 0.00 C ATOM 812 O ALA A 53 -15.963 6.090 -8.612 1.00 0.00 O ATOM 813 CB ALA A 53 -14.079 8.473 -9.146 1.00 0.00 C ATOM 0 H ALA A 53 -14.593 7.249 -11.250 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.813 6.753 -9.042 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.922 8.754 -8.104 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -13.382 9.022 -9.779 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -15.101 8.715 -9.437 1.00 0.00 H new ATOM 819 N ARG A 54 -14.180 5.641 -7.315 1.00 0.00 N ATOM 820 CA ARG A 54 -14.943 4.863 -6.346 1.00 0.00 C ATOM 821 C ARG A 54 -14.597 5.281 -4.920 1.00 0.00 C ATOM 822 O ARG A 54 -13.548 4.913 -4.390 1.00 0.00 O ATOM 823 CB ARG A 54 -14.669 3.369 -6.531 1.00 0.00 C ATOM 824 CG ARG A 54 -15.314 2.782 -7.776 1.00 0.00 C ATOM 825 CD ARG A 54 -14.596 1.522 -8.234 1.00 0.00 C ATOM 826 NE ARG A 54 -14.375 0.587 -7.134 1.00 0.00 N ATOM 827 CZ ARG A 54 -13.650 -0.520 -7.245 1.00 0.00 C ATOM 828 NH1 ARG A 54 -13.078 -0.829 -8.401 1.00 0.00 N ATOM 829 NH2 ARG A 54 -13.495 -1.321 -6.199 1.00 0.00 N ATOM 0 H ARG A 54 -13.185 5.718 -7.104 1.00 0.00 H new ATOM 0 HA ARG A 54 -16.002 5.056 -6.516 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.592 3.209 -6.580 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -15.032 2.830 -5.656 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -16.360 2.552 -7.571 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.301 3.521 -8.577 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.182 1.034 -9.013 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.638 1.792 -8.678 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.801 0.796 -6.231 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.194 -0.216 -9.208 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.522 -1.680 -8.483 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -13.933 -1.087 -5.308 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -12.938 -2.171 -6.286 1.00 0.00 H new ATOM 843 N THR A 55 -15.487 6.053 -4.303 1.00 0.00 N ATOM 844 CA THR A 55 -15.276 6.523 -2.940 1.00 0.00 C ATOM 845 C THR A 55 -15.824 5.528 -1.924 1.00 0.00 C ATOM 846 O THR A 55 -16.876 5.753 -1.325 1.00 0.00 O ATOM 847 CB THR A 55 -15.941 7.893 -2.709 1.00 0.00 C ATOM 848 OG1 THR A 55 -17.248 7.909 -3.293 1.00 0.00 O ATOM 849 CG2 THR A 55 -15.099 9.011 -3.307 1.00 0.00 C ATOM 0 H THR A 55 -16.361 6.366 -4.726 1.00 0.00 H new ATOM 0 HA THR A 55 -14.199 6.622 -2.803 1.00 0.00 H new ATOM 0 HB THR A 55 -16.022 8.055 -1.634 1.00 0.00 H new ATOM 0 HG1 THR A 55 -17.783 7.179 -2.917 1.00 0.00 H new ATOM 0 HG21 THR A 55 -15.589 9.969 -3.132 1.00 0.00 H new ATOM 0 HG22 THR A 55 -14.115 9.015 -2.839 1.00 0.00 H new ATOM 0 HG23 THR A 55 -14.990 8.850 -4.380 1.00 0.00 H new ATOM 857 N ASP A 56 -15.105 4.427 -1.735 1.00 0.00 N ATOM 858 CA ASP A 56 -15.519 3.396 -0.789 1.00 0.00 C ATOM 859 C ASP A 56 -14.709 3.485 0.500 1.00 0.00 C ATOM 860 O ASP A 56 -15.245 3.807 1.560 1.00 0.00 O ATOM 861 CB ASP A 56 -15.360 2.009 -1.412 1.00 0.00 C ATOM 862 CG ASP A 56 -16.543 1.624 -2.280 1.00 0.00 C ATOM 863 OD1 ASP A 56 -16.952 2.449 -3.124 1.00 0.00 O ATOM 864 OD2 ASP A 56 -17.057 0.499 -2.116 1.00 0.00 O ATOM 0 H ASP A 56 -14.233 4.225 -2.224 1.00 0.00 H new ATOM 0 HA ASP A 56 -16.570 3.559 -0.548 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.450 1.986 -2.012 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -15.239 1.270 -0.620 1.00 0.00 H new ATOM 869 N GLU A 57 -13.415 3.196 0.401 1.00 0.00 N ATOM 870 CA GLU A 57 -12.532 3.241 1.560 1.00 0.00 C ATOM 871 C GLU A 57 -11.137 3.714 1.163 1.00 0.00 C ATOM 872 O GLU A 57 -10.474 3.095 0.330 1.00 0.00 O ATOM 873 CB GLU A 57 -12.447 1.863 2.219 1.00 0.00 C ATOM 874 CG GLU A 57 -11.412 1.781 3.328 1.00 0.00 C ATOM 875 CD GLU A 57 -11.377 0.419 3.994 1.00 0.00 C ATOM 876 OE1 GLU A 57 -12.243 0.157 4.855 1.00 0.00 O ATOM 877 OE2 GLU A 57 -10.484 -0.385 3.654 1.00 0.00 O ATOM 0 H GLU A 57 -12.956 2.928 -0.469 1.00 0.00 H new ATOM 0 HA GLU A 57 -12.948 3.952 2.274 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.424 1.603 2.626 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.211 1.120 1.458 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -10.427 2.006 2.918 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.627 2.542 4.078 1.00 0.00 H new ATOM 884 N ILE A 58 -10.698 4.815 1.764 1.00 0.00 N ATOM 885 CA ILE A 58 -9.382 5.371 1.474 1.00 0.00 C ATOM 886 C ILE A 58 -8.475 5.303 2.698 1.00 0.00 C ATOM 887 O ILE A 58 -8.840 5.761 3.780 1.00 0.00 O ATOM 888 CB ILE A 58 -9.481 6.834 1.003 1.00 0.00 C ATOM 889 CG1 ILE A 58 -10.444 6.948 -0.180 1.00 0.00 C ATOM 890 CG2 ILE A 58 -8.105 7.363 0.627 1.00 0.00 C ATOM 891 CD1 ILE A 58 -10.711 8.375 -0.607 1.00 0.00 C ATOM 0 H ILE A 58 -11.235 5.340 2.455 1.00 0.00 H new ATOM 0 HA ILE A 58 -8.954 4.768 0.673 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.870 7.439 1.822 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -10.035 6.395 -1.026 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -11.389 6.474 0.084 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.191 8.398 0.296 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.446 7.313 1.494 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.690 6.758 -0.179 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -11.402 8.379 -1.450 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -11.149 8.928 0.224 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.774 8.848 -0.903 1.00 0.00 H new ATOM 903 N MET A 59 -7.290 4.729 2.517 1.00 0.00 N ATOM 904 CA MET A 59 -6.328 4.604 3.606 1.00 0.00 C ATOM 905 C MET A 59 -5.204 5.625 3.459 1.00 0.00 C ATOM 906 O MET A 59 -4.967 6.171 2.382 1.00 0.00 O ATOM 907 CB MET A 59 -5.746 3.189 3.641 1.00 0.00 C ATOM 908 CG MET A 59 -6.505 2.242 4.556 1.00 0.00 C ATOM 909 SD MET A 59 -5.664 0.662 4.773 1.00 0.00 S ATOM 910 CE MET A 59 -7.021 -0.481 4.527 1.00 0.00 C ATOM 0 H MET A 59 -6.973 4.343 1.627 1.00 0.00 H new ATOM 0 HA MET A 59 -6.850 4.798 4.543 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.744 2.781 2.630 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.707 3.240 3.966 1.00 0.00 H new ATOM 0 HG2 MET A 59 -6.640 2.714 5.529 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.500 2.066 4.146 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.658 -1.504 4.630 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.794 -0.293 5.272 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.437 -0.342 3.529 1.00 0.00 H new ATOM 920 N PRO A 60 -4.495 5.889 4.567 1.00 0.00 N ATOM 921 CA PRO A 60 -3.385 6.846 4.586 1.00 0.00 C ATOM 922 C PRO A 60 -2.172 6.342 3.812 1.00 0.00 C ATOM 923 O PRO A 60 -1.513 7.106 3.108 1.00 0.00 O ATOM 924 CB PRO A 60 -3.053 6.974 6.075 1.00 0.00 C ATOM 925 CG PRO A 60 -3.516 5.693 6.678 1.00 0.00 C ATOM 926 CD PRO A 60 -4.723 5.274 5.886 1.00 0.00 C ATOM 0 HA PRO A 60 -3.653 7.790 4.112 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -1.984 7.121 6.231 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.561 7.828 6.522 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -2.735 4.934 6.629 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.767 5.825 7.730 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -4.801 4.189 5.816 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -5.647 5.631 6.342 1.00 0.00 H new ATOM 934 N GLU A 61 -1.883 5.051 3.948 1.00 0.00 N ATOM 935 CA GLU A 61 -0.748 4.446 3.261 1.00 0.00 C ATOM 936 C GLU A 61 -0.809 4.725 1.761 1.00 0.00 C ATOM 937 O GLU A 61 0.220 4.782 1.088 1.00 0.00 O ATOM 938 CB GLU A 61 -0.718 2.937 3.510 1.00 0.00 C ATOM 939 CG GLU A 61 -0.499 2.565 4.966 1.00 0.00 C ATOM 940 CD GLU A 61 -0.785 1.101 5.244 1.00 0.00 C ATOM 941 OE1 GLU A 61 -0.829 0.313 4.276 1.00 0.00 O ATOM 942 OE2 GLU A 61 -0.964 0.745 6.427 1.00 0.00 O ATOM 0 H GLU A 61 -2.419 4.405 4.527 1.00 0.00 H new ATOM 0 HA GLU A 61 0.164 4.890 3.659 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.658 2.502 3.170 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.075 2.493 2.907 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.531 2.789 5.243 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.140 3.182 5.595 1.00 0.00 H new ATOM 949 N ASP A 62 -2.022 4.895 1.246 1.00 0.00 N ATOM 950 CA ASP A 62 -2.218 5.168 -0.173 1.00 0.00 C ATOM 951 C ASP A 62 -1.355 6.342 -0.625 1.00 0.00 C ATOM 952 O ASP A 62 -1.599 7.488 -0.247 1.00 0.00 O ATOM 953 CB ASP A 62 -3.691 5.462 -0.458 1.00 0.00 C ATOM 954 CG ASP A 62 -4.563 4.228 -0.330 1.00 0.00 C ATOM 955 OD1 ASP A 62 -4.116 3.248 0.301 1.00 0.00 O ATOM 956 OD2 ASP A 62 -5.693 4.244 -0.861 1.00 0.00 O ATOM 0 H ASP A 62 -2.884 4.849 1.790 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.917 4.283 -0.733 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.046 6.227 0.232 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.789 5.870 -1.464 1.00 0.00 H new ATOM 961 N LYS A 63 -0.344 6.048 -1.436 1.00 0.00 N ATOM 962 CA LYS A 63 0.556 7.078 -1.940 1.00 0.00 C ATOM 963 C LYS A 63 0.157 7.508 -3.348 1.00 0.00 C ATOM 964 O LYS A 63 -0.279 6.689 -4.159 1.00 0.00 O ATOM 965 CB LYS A 63 1.999 6.568 -1.942 1.00 0.00 C ATOM 966 CG LYS A 63 3.034 7.668 -1.782 1.00 0.00 C ATOM 967 CD LYS A 63 3.398 8.290 -3.120 1.00 0.00 C ATOM 968 CE LYS A 63 4.834 8.788 -3.131 1.00 0.00 C ATOM 969 NZ LYS A 63 5.811 7.665 -3.172 1.00 0.00 N ATOM 0 H LYS A 63 -0.128 5.105 -1.758 1.00 0.00 H new ATOM 0 HA LYS A 63 0.483 7.942 -1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.121 5.846 -1.135 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.187 6.037 -2.876 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.647 8.438 -1.115 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.930 7.261 -1.313 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.261 7.555 -3.913 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.723 9.119 -3.333 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.987 9.434 -3.995 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.015 9.394 -2.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.742 8.025 -3.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.887 7.237 -2.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.487 6.948 -3.852 1.00 0.00 H new ATOM 983 N THR A 64 0.309 8.797 -3.635 1.00 0.00 N ATOM 984 CA THR A 64 -0.036 9.335 -4.945 1.00 0.00 C ATOM 985 C THR A 64 0.919 8.824 -6.017 1.00 0.00 C ATOM 986 O THR A 64 2.075 8.509 -5.735 1.00 0.00 O ATOM 987 CB THR A 64 -0.012 10.875 -4.944 1.00 0.00 C ATOM 988 OG1 THR A 64 -0.347 11.370 -3.642 1.00 0.00 O ATOM 989 CG2 THR A 64 -0.986 11.432 -5.970 1.00 0.00 C ATOM 0 H THR A 64 0.669 9.488 -2.977 1.00 0.00 H new ATOM 0 HA THR A 64 -1.047 8.995 -5.170 1.00 0.00 H new ATOM 0 HB THR A 64 0.994 11.201 -5.208 1.00 0.00 H new ATOM 0 HG1 THR A 64 -0.328 12.350 -3.650 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.951 12.521 -5.951 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.710 11.078 -6.963 1.00 0.00 H new ATOM 0 HG23 THR A 64 -1.996 11.097 -5.733 1.00 0.00 H new ATOM 997 N VAL A 65 0.429 8.745 -7.250 1.00 0.00 N ATOM 998 CA VAL A 65 1.240 8.273 -8.367 1.00 0.00 C ATOM 999 C VAL A 65 1.456 9.379 -9.394 1.00 0.00 C ATOM 1000 O VAL A 65 2.448 9.380 -10.121 1.00 0.00 O ATOM 1001 CB VAL A 65 0.589 7.062 -9.061 1.00 0.00 C ATOM 1002 CG1 VAL A 65 -0.697 7.475 -9.761 1.00 0.00 C ATOM 1003 CG2 VAL A 65 1.561 6.427 -10.044 1.00 0.00 C ATOM 0 H VAL A 65 -0.526 9.002 -7.501 1.00 0.00 H new ATOM 0 HA VAL A 65 2.203 7.971 -7.955 1.00 0.00 H new ATOM 0 HB VAL A 65 0.339 6.321 -8.302 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.143 6.606 -10.246 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.396 7.880 -9.029 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.475 8.235 -10.511 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.085 5.573 -10.526 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.844 7.159 -10.800 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.451 6.093 -9.511 1.00 0.00 H new ATOM 1013 N GLY A 66 0.519 10.321 -9.448 1.00 0.00 N ATOM 1014 CA GLY A 66 0.625 11.420 -10.390 1.00 0.00 C ATOM 1015 C GLY A 66 -0.629 12.270 -10.433 1.00 0.00 C ATOM 1016 O GLY A 66 -1.720 11.797 -10.113 1.00 0.00 O ATOM 0 H GLY A 66 -0.311 10.343 -8.856 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.475 12.046 -10.119 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.826 11.023 -11.385 1.00 0.00 H new ATOM 1020 N PHE A 67 -0.474 13.530 -10.827 1.00 0.00 N ATOM 1021 CA PHE A 67 -1.603 14.449 -10.908 1.00 0.00 C ATOM 1022 C PHE A 67 -1.802 14.943 -12.338 1.00 0.00 C ATOM 1023 O PHE A 67 -0.838 15.250 -13.040 1.00 0.00 O ATOM 1024 CB PHE A 67 -1.387 15.640 -9.971 1.00 0.00 C ATOM 1025 CG PHE A 67 -0.943 15.244 -8.591 1.00 0.00 C ATOM 1026 CD1 PHE A 67 0.402 15.078 -8.303 1.00 0.00 C ATOM 1027 CD2 PHE A 67 -1.871 15.038 -7.583 1.00 0.00 C ATOM 1028 CE1 PHE A 67 0.812 14.714 -7.035 1.00 0.00 C ATOM 1029 CE2 PHE A 67 -1.467 14.673 -6.313 1.00 0.00 C ATOM 1030 CZ PHE A 67 -0.123 14.512 -6.038 1.00 0.00 C ATOM 0 H PHE A 67 0.422 13.937 -11.095 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.499 13.911 -10.600 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -0.641 16.305 -10.407 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.315 16.207 -9.897 1.00 0.00 H new ATOM 0 HD1 PHE A 67 1.138 15.235 -9.078 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.923 15.164 -7.792 1.00 0.00 H new ATOM 0 HE1 PHE A 67 1.863 14.587 -6.823 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.201 14.514 -5.537 1.00 0.00 H new ATOM 0 HZ PHE A 67 0.196 14.229 -5.046 1.00 0.00 H new ATOM 1040 N VAL A 68 -3.059 15.016 -12.764 1.00 0.00 N ATOM 1041 CA VAL A 68 -3.385 15.472 -14.109 1.00 0.00 C ATOM 1042 C VAL A 68 -4.480 16.532 -14.080 1.00 0.00 C ATOM 1043 O VAL A 68 -5.610 16.262 -13.673 1.00 0.00 O ATOM 1044 CB VAL A 68 -3.841 14.304 -15.003 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -4.230 14.808 -16.384 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -2.748 13.250 -15.100 1.00 0.00 C ATOM 0 H VAL A 68 -3.868 14.765 -12.196 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.475 15.905 -14.525 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.719 13.844 -14.550 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.549 13.968 -17.001 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.047 15.523 -16.293 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.372 15.294 -16.849 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.087 12.432 -15.735 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.850 13.695 -15.529 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.523 12.867 -14.105 1.00 0.00 H new ATOM 1056 N VAL A 69 -4.138 17.741 -14.514 1.00 0.00 N ATOM 1057 CA VAL A 69 -5.093 18.843 -14.539 1.00 0.00 C ATOM 1058 C VAL A 69 -5.736 18.981 -15.915 1.00 0.00 C ATOM 1059 O VAL A 69 -5.050 18.978 -16.936 1.00 0.00 O ATOM 1060 CB VAL A 69 -4.421 20.177 -14.163 1.00 0.00 C ATOM 1061 CG1 VAL A 69 -5.452 21.292 -14.088 1.00 0.00 C ATOM 1062 CG2 VAL A 69 -3.672 20.042 -12.845 1.00 0.00 C ATOM 0 H VAL A 69 -3.207 17.982 -14.853 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.862 18.612 -13.802 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.701 20.433 -14.940 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.958 22.227 -13.821 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.939 21.403 -15.057 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.198 21.047 -13.332 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.203 20.993 -12.594 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.371 19.763 -12.056 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.905 19.273 -12.939 1.00 0.00 H new ATOM 1072 N VAL A 70 -7.060 19.104 -15.933 1.00 0.00 N ATOM 1073 CA VAL A 70 -7.797 19.245 -17.183 1.00 0.00 C ATOM 1074 C VAL A 70 -8.978 20.196 -17.020 1.00 0.00 C ATOM 1075 O VAL A 70 -9.959 19.874 -16.351 1.00 0.00 O ATOM 1076 CB VAL A 70 -8.314 17.884 -17.686 1.00 0.00 C ATOM 1077 CG1 VAL A 70 -9.127 18.060 -18.960 1.00 0.00 C ATOM 1078 CG2 VAL A 70 -7.155 16.925 -17.912 1.00 0.00 C ATOM 0 H VAL A 70 -7.643 19.109 -15.096 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.102 19.655 -17.916 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.965 17.457 -16.923 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.484 17.088 -19.301 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.979 18.710 -18.761 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.501 18.508 -19.732 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.538 15.968 -18.267 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.477 17.343 -18.656 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.618 16.776 -16.975 1.00 0.00 H new ATOM 1088 N ASN A 71 -8.875 21.369 -17.636 1.00 0.00 N ATOM 1089 CA ASN A 71 -9.935 22.368 -17.560 1.00 0.00 C ATOM 1090 C ASN A 71 -10.314 22.867 -18.951 1.00 0.00 C ATOM 1091 O ASN A 71 -9.521 23.526 -19.622 1.00 0.00 O ATOM 1092 CB ASN A 71 -9.493 23.544 -16.687 1.00 0.00 C ATOM 1093 CG ASN A 71 -8.068 23.975 -16.975 1.00 0.00 C ATOM 1094 OD1 ASN A 71 -7.833 24.909 -17.742 1.00 0.00 O ATOM 1095 ND2 ASN A 71 -7.108 23.294 -16.361 1.00 0.00 N ATOM 0 H ASN A 71 -8.069 21.651 -18.193 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.811 21.899 -17.111 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.165 24.387 -16.851 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.580 23.266 -15.637 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.130 23.538 -16.517 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.348 22.527 -15.733 1.00 0.00 H new ATOM 1102 N ALA A 72 -11.531 22.547 -19.377 1.00 0.00 N ATOM 1103 CA ALA A 72 -12.017 22.964 -20.686 1.00 0.00 C ATOM 1104 C ALA A 72 -12.366 24.449 -20.694 1.00 0.00 C ATOM 1105 O ALA A 72 -12.220 25.125 -21.713 1.00 0.00 O ATOM 1106 CB ALA A 72 -13.226 22.133 -21.090 1.00 0.00 C ATOM 0 H ALA A 72 -12.199 22.000 -18.834 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.220 22.801 -21.411 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.578 22.456 -22.070 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.946 21.080 -21.134 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.021 22.267 -20.356 1.00 0.00 H new ATOM 1112 N ASP A 73 -12.829 24.949 -19.554 1.00 0.00 N ATOM 1113 CA ASP A 73 -13.199 26.354 -19.430 1.00 0.00 C ATOM 1114 C ASP A 73 -12.068 27.258 -19.911 1.00 0.00 C ATOM 1115 O ASP A 73 -12.280 28.159 -20.723 1.00 0.00 O ATOM 1116 CB ASP A 73 -13.551 26.685 -17.979 1.00 0.00 C ATOM 1117 CG ASP A 73 -12.604 26.033 -16.990 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -12.712 24.806 -16.786 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -11.755 26.750 -16.422 1.00 0.00 O ATOM 0 H ASP A 73 -12.957 24.402 -18.702 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.073 26.531 -20.057 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.529 27.766 -17.840 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.570 26.358 -17.772 1.00 0.00 H new ATOM 1124 N LYS A 74 -10.865 27.013 -19.403 1.00 0.00 N ATOM 1125 CA LYS A 74 -9.699 27.803 -19.780 1.00 0.00 C ATOM 1126 C LYS A 74 -8.891 27.099 -20.864 1.00 0.00 C ATOM 1127 O LYS A 74 -7.969 27.676 -21.440 1.00 0.00 O ATOM 1128 CB LYS A 74 -8.815 28.061 -18.557 1.00 0.00 C ATOM 1129 CG LYS A 74 -9.133 29.363 -17.841 1.00 0.00 C ATOM 1130 CD LYS A 74 -10.183 29.163 -16.761 1.00 0.00 C ATOM 1131 CE LYS A 74 -10.378 30.424 -15.933 1.00 0.00 C ATOM 1132 NZ LYS A 74 -9.228 30.673 -15.022 1.00 0.00 N ATOM 0 H LYS A 74 -10.672 26.273 -18.728 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.050 28.756 -20.175 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.928 27.234 -17.856 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.771 28.074 -18.870 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.223 29.766 -17.395 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.487 30.099 -18.563 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.129 28.878 -17.221 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.885 28.341 -16.110 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.506 31.278 -16.598 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.293 30.336 -15.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.463 31.449 -14.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.025 29.811 -14.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -8.391 30.933 -15.582 1.00 0.00 H new ATOM 1146 N LYS A 75 -9.243 25.847 -21.139 1.00 0.00 N ATOM 1147 CA LYS A 75 -8.553 25.064 -22.157 1.00 0.00 C ATOM 1148 C LYS A 75 -7.093 24.839 -21.774 1.00 0.00 C ATOM 1149 O LYS A 75 -6.185 25.130 -22.553 1.00 0.00 O ATOM 1150 CB LYS A 75 -8.633 25.768 -23.513 1.00 0.00 C ATOM 1151 CG LYS A 75 -10.030 26.244 -23.870 1.00 0.00 C ATOM 1152 CD LYS A 75 -10.045 26.984 -25.197 1.00 0.00 C ATOM 1153 CE LYS A 75 -11.402 27.617 -25.467 1.00 0.00 C ATOM 1154 NZ LYS A 75 -11.329 28.649 -26.538 1.00 0.00 N ATOM 0 H LYS A 75 -10.003 25.353 -20.671 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.045 24.094 -22.229 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.957 26.623 -23.509 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.281 25.087 -24.288 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.704 25.389 -23.921 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.404 26.899 -23.083 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.276 27.757 -25.193 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.798 26.293 -26.003 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.113 26.843 -25.756 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.780 28.070 -24.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.273 29.057 -26.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.670 29.401 -26.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.993 28.211 -27.419 1.00 0.00 H new ATOM 1168 N LEU A 76 -6.875 24.320 -20.571 1.00 0.00 N ATOM 1169 CA LEU A 76 -5.526 24.055 -20.085 1.00 0.00 C ATOM 1170 C LEU A 76 -5.396 22.616 -19.596 1.00 0.00 C ATOM 1171 O LEU A 76 -6.274 22.104 -18.903 1.00 0.00 O ATOM 1172 CB LEU A 76 -5.170 25.023 -18.956 1.00 0.00 C ATOM 1173 CG LEU A 76 -5.687 26.454 -19.110 1.00 0.00 C ATOM 1174 CD1 LEU A 76 -5.429 27.254 -17.843 1.00 0.00 C ATOM 1175 CD2 LEU A 76 -5.041 27.129 -20.311 1.00 0.00 C ATOM 0 H LEU A 76 -7.616 24.074 -19.914 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.833 24.202 -20.913 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.557 24.617 -18.021 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.085 25.058 -18.864 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.763 26.415 -19.277 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.804 28.270 -17.971 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.940 26.782 -17.004 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.358 27.285 -17.644 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.421 28.146 -20.405 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.960 27.157 -20.175 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.279 26.568 -21.215 1.00 0.00 H new ATOM 1187 N MET A 77 -4.293 21.970 -19.962 1.00 0.00 N ATOM 1188 CA MET A 77 -4.047 20.590 -19.557 1.00 0.00 C ATOM 1189 C MET A 77 -2.609 20.412 -19.080 1.00 0.00 C ATOM 1190 O MET A 77 -1.667 20.843 -19.744 1.00 0.00 O ATOM 1191 CB MET A 77 -4.333 19.637 -20.719 1.00 0.00 C ATOM 1192 CG MET A 77 -3.894 18.206 -20.453 1.00 0.00 C ATOM 1193 SD MET A 77 -4.511 17.049 -21.690 1.00 0.00 S ATOM 1194 CE MET A 77 -5.792 16.210 -20.760 1.00 0.00 C ATOM 0 H MET A 77 -3.557 22.379 -20.537 1.00 0.00 H new ATOM 0 HA MET A 77 -4.717 20.355 -18.730 1.00 0.00 H new ATOM 0 HB2 MET A 77 -5.402 19.647 -20.932 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.827 20.004 -21.612 1.00 0.00 H new ATOM 0 HG2 MET A 77 -2.805 18.162 -20.431 1.00 0.00 H new ATOM 0 HG3 MET A 77 -4.245 17.900 -19.468 1.00 0.00 H new ATOM 0 HE1 MET A 77 -6.084 15.299 -21.283 1.00 0.00 H new ATOM 0 HE2 MET A 77 -5.415 15.955 -19.770 1.00 0.00 H new ATOM 0 HE3 MET A 77 -6.658 16.865 -20.661 1.00 0.00 H new ATOM 1204 N SER A 78 -2.448 19.776 -17.924 1.00 0.00 N ATOM 1205 CA SER A 78 -1.126 19.545 -17.356 1.00 0.00 C ATOM 1206 C SER A 78 -1.048 18.168 -16.702 1.00 0.00 C ATOM 1207 O SER A 78 -1.613 17.944 -15.631 1.00 0.00 O ATOM 1208 CB SER A 78 -0.791 20.629 -16.330 1.00 0.00 C ATOM 1209 OG SER A 78 -1.377 21.869 -16.688 1.00 0.00 O ATOM 0 H SER A 78 -3.218 19.411 -17.362 1.00 0.00 H new ATOM 0 HA SER A 78 -0.398 19.585 -18.166 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.148 20.325 -15.346 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.291 20.742 -16.256 1.00 0.00 H new ATOM 0 HG SER A 78 -1.149 22.545 -16.016 1.00 0.00 H new ATOM 1215 N VAL A 79 -0.343 17.249 -17.355 1.00 0.00 N ATOM 1216 CA VAL A 79 -0.190 15.894 -16.838 1.00 0.00 C ATOM 1217 C VAL A 79 1.197 15.689 -16.239 1.00 0.00 C ATOM 1218 O VAL A 79 2.207 16.025 -16.857 1.00 0.00 O ATOM 1219 CB VAL A 79 -0.422 14.844 -17.939 1.00 0.00 C ATOM 1220 CG1 VAL A 79 -1.829 14.965 -18.505 1.00 0.00 C ATOM 1221 CG2 VAL A 79 0.618 14.987 -19.040 1.00 0.00 C ATOM 0 H VAL A 79 0.131 17.418 -18.242 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.942 15.765 -16.060 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.317 13.853 -17.498 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.974 14.215 -19.282 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.556 14.808 -17.708 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.966 15.959 -18.931 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.438 14.237 -19.810 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.548 15.982 -19.480 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.614 14.845 -18.620 1.00 0.00 H new ATOM 1231 N SER A 80 1.239 15.134 -15.032 1.00 0.00 N ATOM 1232 CA SER A 80 2.502 14.886 -14.347 1.00 0.00 C ATOM 1233 C SER A 80 2.393 13.674 -13.428 1.00 0.00 C ATOM 1234 O SER A 80 1.804 13.750 -12.349 1.00 0.00 O ATOM 1235 CB SER A 80 2.919 16.117 -13.540 1.00 0.00 C ATOM 1236 OG SER A 80 4.246 15.987 -13.061 1.00 0.00 O ATOM 0 H SER A 80 0.412 14.847 -14.508 1.00 0.00 H new ATOM 0 HA SER A 80 3.262 14.680 -15.101 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.839 17.008 -14.163 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.238 16.253 -12.700 1.00 0.00 H new ATOM 0 HG SER A 80 4.489 16.787 -12.550 1.00 0.00 H new ATOM 1242 N PHE A 81 2.965 12.556 -13.862 1.00 0.00 N ATOM 1243 CA PHE A 81 2.932 11.326 -13.079 1.00 0.00 C ATOM 1244 C PHE A 81 4.323 10.707 -12.980 1.00 0.00 C ATOM 1245 O PHE A 81 5.275 11.191 -13.593 1.00 0.00 O ATOM 1246 CB PHE A 81 1.959 10.324 -13.705 1.00 0.00 C ATOM 1247 CG PHE A 81 2.167 10.127 -15.179 1.00 0.00 C ATOM 1248 CD1 PHE A 81 1.629 11.019 -16.093 1.00 0.00 C ATOM 1249 CD2 PHE A 81 2.900 9.051 -15.651 1.00 0.00 C ATOM 1250 CE1 PHE A 81 1.818 10.841 -17.451 1.00 0.00 C ATOM 1251 CE2 PHE A 81 3.093 8.868 -17.008 1.00 0.00 C ATOM 1252 CZ PHE A 81 2.551 9.763 -17.908 1.00 0.00 C ATOM 0 H PHE A 81 3.457 12.476 -14.752 1.00 0.00 H new ATOM 0 HA PHE A 81 2.591 11.574 -12.074 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.064 9.364 -13.200 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.938 10.665 -13.533 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.055 11.863 -15.740 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.326 8.347 -14.951 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.393 11.543 -18.153 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.667 8.025 -17.363 1.00 0.00 H new ATOM 0 HZ PHE A 81 2.700 9.621 -18.968 1.00 0.00 H new ATOM 1262 N SER A 82 4.432 9.633 -12.204 1.00 0.00 N ATOM 1263 CA SER A 82 5.707 8.950 -12.020 1.00 0.00 C ATOM 1264 C SER A 82 6.354 8.635 -13.366 1.00 0.00 C ATOM 1265 O SER A 82 5.665 8.360 -14.349 1.00 0.00 O ATOM 1266 CB SER A 82 5.508 7.659 -11.223 1.00 0.00 C ATOM 1267 OG SER A 82 6.519 6.713 -11.524 1.00 0.00 O ATOM 0 H SER A 82 3.653 9.217 -11.693 1.00 0.00 H new ATOM 0 HA SER A 82 6.369 9.614 -11.464 1.00 0.00 H new ATOM 0 HB2 SER A 82 5.520 7.881 -10.156 1.00 0.00 H new ATOM 0 HB3 SER A 82 4.530 7.235 -11.450 1.00 0.00 H new ATOM 0 HG SER A 82 6.370 5.898 -11.001 1.00 0.00 H new ATOM 1273 N ASP A 83 7.681 8.677 -13.402 1.00 0.00 N ATOM 1274 CA ASP A 83 8.422 8.396 -14.626 1.00 0.00 C ATOM 1275 C ASP A 83 8.375 6.908 -14.960 1.00 0.00 C ATOM 1276 O ASP A 83 9.264 6.147 -14.578 1.00 0.00 O ATOM 1277 CB ASP A 83 9.875 8.853 -14.484 1.00 0.00 C ATOM 1278 CG ASP A 83 10.002 10.362 -14.410 1.00 0.00 C ATOM 1279 OD1 ASP A 83 9.148 10.998 -13.757 1.00 0.00 O ATOM 1280 OD2 ASP A 83 10.955 10.907 -15.005 1.00 0.00 O ATOM 0 H ASP A 83 8.266 8.903 -12.597 1.00 0.00 H new ATOM 0 HA ASP A 83 7.953 8.948 -15.440 1.00 0.00 H new ATOM 0 HB2 ASP A 83 10.306 8.410 -13.586 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.454 8.484 -15.331 1.00 0.00 H new ATOM 1285 N ILE A 84 7.331 6.500 -15.673 1.00 0.00 N ATOM 1286 CA ILE A 84 7.168 5.104 -16.059 1.00 0.00 C ATOM 1287 C ILE A 84 7.953 4.788 -17.327 1.00 0.00 C ATOM 1288 O ILE A 84 8.697 5.628 -17.834 1.00 0.00 O ATOM 1289 CB ILE A 84 5.686 4.752 -16.284 1.00 0.00 C ATOM 1290 CG1 ILE A 84 5.123 5.547 -17.464 1.00 0.00 C ATOM 1291 CG2 ILE A 84 4.879 5.023 -15.023 1.00 0.00 C ATOM 1292 CD1 ILE A 84 3.660 5.276 -17.733 1.00 0.00 C ATOM 0 H ILE A 84 6.585 7.117 -15.995 1.00 0.00 H new ATOM 0 HA ILE A 84 7.555 4.502 -15.237 1.00 0.00 H new ATOM 0 HB ILE A 84 5.612 3.690 -16.518 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.257 6.611 -17.271 1.00 0.00 H new ATOM 0 HG13 ILE A 84 5.698 5.310 -18.359 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.834 4.769 -15.198 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.267 4.416 -14.205 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.957 6.078 -14.761 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.329 5.874 -18.582 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.521 4.218 -17.957 1.00 0.00 H new ATOM 0 HD13 ILE A 84 3.073 5.540 -16.853 1.00 0.00 H new ATOM 1304 N ASP A 85 7.779 3.574 -17.837 1.00 0.00 N ATOM 1305 CA ASP A 85 8.469 3.148 -19.049 1.00 0.00 C ATOM 1306 C ASP A 85 8.286 4.170 -20.166 1.00 0.00 C ATOM 1307 O ASP A 85 7.302 4.909 -20.189 1.00 0.00 O ATOM 1308 CB ASP A 85 7.952 1.781 -19.501 1.00 0.00 C ATOM 1309 CG ASP A 85 8.326 0.673 -18.537 1.00 0.00 C ATOM 1310 OD1 ASP A 85 9.435 0.731 -17.967 1.00 0.00 O ATOM 1311 OD2 ASP A 85 7.509 -0.254 -18.352 1.00 0.00 O ATOM 0 H ASP A 85 7.166 2.867 -17.430 1.00 0.00 H new ATOM 0 HA ASP A 85 9.533 3.070 -18.824 1.00 0.00 H new ATOM 0 HB2 ASP A 85 6.867 1.821 -19.601 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.355 1.552 -20.488 1.00 0.00 H new ATOM 1316 N GLU A 86 9.240 4.206 -21.091 1.00 0.00 N ATOM 1317 CA GLU A 86 9.184 5.139 -22.210 1.00 0.00 C ATOM 1318 C GLU A 86 8.076 4.753 -23.185 1.00 0.00 C ATOM 1319 O GLU A 86 7.353 5.611 -23.691 1.00 0.00 O ATOM 1320 CB GLU A 86 10.529 5.178 -22.938 1.00 0.00 C ATOM 1321 CG GLU A 86 10.979 3.824 -23.459 1.00 0.00 C ATOM 1322 CD GLU A 86 10.552 3.580 -24.894 1.00 0.00 C ATOM 1323 OE1 GLU A 86 9.745 4.375 -25.417 1.00 0.00 O ATOM 1324 OE2 GLU A 86 11.027 2.592 -25.493 1.00 0.00 O ATOM 0 H GLU A 86 10.061 3.600 -21.087 1.00 0.00 H new ATOM 0 HA GLU A 86 8.965 6.130 -21.813 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.460 5.875 -23.773 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.288 5.568 -22.260 1.00 0.00 H new ATOM 0 HG2 GLU A 86 12.065 3.755 -23.390 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.569 3.039 -22.823 1.00 0.00 H new ATOM 1331 N ASN A 87 7.950 3.456 -23.445 1.00 0.00 N ATOM 1332 CA ASN A 87 6.931 2.955 -24.361 1.00 0.00 C ATOM 1333 C ASN A 87 5.553 3.495 -23.989 1.00 0.00 C ATOM 1334 O ASN A 87 4.770 3.876 -24.858 1.00 0.00 O ATOM 1335 CB ASN A 87 6.913 1.425 -24.348 1.00 0.00 C ATOM 1336 CG ASN A 87 8.074 0.826 -25.117 1.00 0.00 C ATOM 1337 OD1 ASN A 87 8.173 0.982 -26.335 1.00 0.00 O ATOM 1338 ND2 ASN A 87 8.961 0.137 -24.409 1.00 0.00 N ATOM 0 H ASN A 87 8.541 2.733 -23.035 1.00 0.00 H new ATOM 0 HA ASN A 87 7.178 3.300 -25.365 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.944 1.073 -23.317 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.976 1.072 -24.778 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.764 -0.288 -24.872 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.840 0.033 -23.402 1.00 0.00 H new ATOM 1345 N MET A 88 5.265 3.524 -22.692 1.00 0.00 N ATOM 1346 CA MET A 88 3.983 4.018 -22.206 1.00 0.00 C ATOM 1347 C MET A 88 3.941 5.543 -22.236 1.00 0.00 C ATOM 1348 O MET A 88 2.895 6.141 -22.489 1.00 0.00 O ATOM 1349 CB MET A 88 3.725 3.518 -20.783 1.00 0.00 C ATOM 1350 CG MET A 88 2.251 3.331 -20.462 1.00 0.00 C ATOM 1351 SD MET A 88 1.921 1.789 -19.587 1.00 0.00 S ATOM 1352 CE MET A 88 0.941 2.384 -18.211 1.00 0.00 C ATOM 0 H MET A 88 5.902 3.211 -21.959 1.00 0.00 H new ATOM 0 HA MET A 88 3.202 3.637 -22.865 1.00 0.00 H new ATOM 0 HB2 MET A 88 4.243 2.569 -20.641 1.00 0.00 H new ATOM 0 HB3 MET A 88 4.156 4.225 -20.074 1.00 0.00 H new ATOM 0 HG2 MET A 88 1.906 4.169 -19.856 1.00 0.00 H new ATOM 0 HG3 MET A 88 1.676 3.349 -21.388 1.00 0.00 H new ATOM 0 HE1 MET A 88 1.375 2.031 -17.276 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.929 3.474 -18.217 1.00 0.00 H new ATOM 0 HE3 MET A 88 -0.079 2.009 -18.302 1.00 0.00 H new ATOM 1362 N LYS A 89 5.085 6.167 -21.977 1.00 0.00 N ATOM 1363 CA LYS A 89 5.180 7.622 -21.976 1.00 0.00 C ATOM 1364 C LYS A 89 4.732 8.198 -23.315 1.00 0.00 C ATOM 1365 O LYS A 89 3.949 9.146 -23.364 1.00 0.00 O ATOM 1366 CB LYS A 89 6.616 8.059 -21.675 1.00 0.00 C ATOM 1367 CG LYS A 89 6.907 8.211 -20.192 1.00 0.00 C ATOM 1368 CD LYS A 89 8.274 8.830 -19.953 1.00 0.00 C ATOM 1369 CE LYS A 89 8.619 8.866 -18.472 1.00 0.00 C ATOM 1370 NZ LYS A 89 10.074 9.090 -18.246 1.00 0.00 N ATOM 0 H LYS A 89 5.960 5.687 -21.765 1.00 0.00 H new ATOM 0 HA LYS A 89 4.519 8.004 -21.198 1.00 0.00 H new ATOM 0 HB2 LYS A 89 7.306 7.329 -22.099 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.810 9.008 -22.174 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.139 8.833 -19.731 1.00 0.00 H new ATOM 0 HG3 LYS A 89 6.859 7.235 -19.709 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.032 8.260 -20.490 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.292 9.842 -20.356 1.00 0.00 H new ATOM 0 HE2 LYS A 89 8.050 9.658 -17.986 1.00 0.00 H new ATOM 0 HE3 LYS A 89 8.320 7.927 -18.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 10.414 8.445 -17.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 10.594 8.908 -19.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.232 10.074 -17.948 1.00 0.00 H new ATOM 1384 N LYS A 90 5.233 7.617 -24.401 1.00 0.00 N ATOM 1385 CA LYS A 90 4.882 8.070 -25.742 1.00 0.00 C ATOM 1386 C LYS A 90 3.370 8.067 -25.939 1.00 0.00 C ATOM 1387 O LYS A 90 2.809 8.990 -26.529 1.00 0.00 O ATOM 1388 CB LYS A 90 5.546 7.178 -26.793 1.00 0.00 C ATOM 1389 CG LYS A 90 5.667 7.834 -28.158 1.00 0.00 C ATOM 1390 CD LYS A 90 6.636 9.004 -28.129 1.00 0.00 C ATOM 1391 CE LYS A 90 7.013 9.449 -29.534 1.00 0.00 C ATOM 1392 NZ LYS A 90 6.067 10.469 -30.066 1.00 0.00 N ATOM 0 H LYS A 90 5.883 6.832 -24.378 1.00 0.00 H new ATOM 0 HA LYS A 90 5.244 9.092 -25.860 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.540 6.898 -26.444 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.971 6.257 -26.891 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.005 7.098 -28.888 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.686 8.180 -28.485 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.186 9.838 -27.590 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.535 8.720 -27.582 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.023 9.859 -29.526 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.026 8.584 -30.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.359 10.746 -31.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.107 10.069 -30.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.074 11.305 -29.447 1.00 0.00 H new ATOM 1406 N VAL A 91 2.714 7.024 -25.439 1.00 0.00 N ATOM 1407 CA VAL A 91 1.266 6.903 -25.558 1.00 0.00 C ATOM 1408 C VAL A 91 0.556 8.009 -24.785 1.00 0.00 C ATOM 1409 O VAL A 91 -0.246 8.756 -25.346 1.00 0.00 O ATOM 1410 CB VAL A 91 0.773 5.537 -25.046 1.00 0.00 C ATOM 1411 CG1 VAL A 91 -0.740 5.436 -25.164 1.00 0.00 C ATOM 1412 CG2 VAL A 91 1.451 4.407 -25.807 1.00 0.00 C ATOM 0 H VAL A 91 3.163 6.251 -24.948 1.00 0.00 H new ATOM 0 HA VAL A 91 1.027 6.994 -26.618 1.00 0.00 H new ATOM 0 HB VAL A 91 1.038 5.447 -23.993 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.069 4.464 -24.797 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.205 6.224 -24.571 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.032 5.548 -26.208 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.091 3.449 -25.432 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.218 4.492 -26.868 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.530 4.469 -25.666 1.00 0.00 H new ATOM 1422 N ILE A 92 0.858 8.109 -23.495 1.00 0.00 N ATOM 1423 CA ILE A 92 0.250 9.125 -22.645 1.00 0.00 C ATOM 1424 C ILE A 92 0.516 10.525 -23.187 1.00 0.00 C ATOM 1425 O ILE A 92 -0.364 11.386 -23.172 1.00 0.00 O ATOM 1426 CB ILE A 92 0.776 9.038 -21.200 1.00 0.00 C ATOM 1427 CG1 ILE A 92 0.466 7.663 -20.603 1.00 0.00 C ATOM 1428 CG2 ILE A 92 0.166 10.140 -20.347 1.00 0.00 C ATOM 1429 CD1 ILE A 92 1.633 7.050 -19.861 1.00 0.00 C ATOM 0 H ILE A 92 1.520 7.499 -23.016 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.823 8.936 -22.644 1.00 0.00 H new ATOM 0 HB ILE A 92 1.858 9.172 -21.214 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.380 7.754 -19.922 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.160 6.989 -21.403 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.547 10.065 -19.329 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.432 11.112 -20.763 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.919 10.034 -20.337 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.342 6.077 -19.465 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.474 6.927 -20.544 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.925 7.704 -19.039 1.00 0.00 H new ATOM 1441 N LYS A 93 1.735 10.747 -23.667 1.00 0.00 N ATOM 1442 CA LYS A 93 2.117 12.042 -24.217 1.00 0.00 C ATOM 1443 C LYS A 93 1.332 12.345 -25.489 1.00 0.00 C ATOM 1444 O LYS A 93 0.906 13.478 -25.711 1.00 0.00 O ATOM 1445 CB LYS A 93 3.619 12.070 -24.513 1.00 0.00 C ATOM 1446 CG LYS A 93 4.064 13.302 -25.282 1.00 0.00 C ATOM 1447 CD LYS A 93 3.712 14.580 -24.539 1.00 0.00 C ATOM 1448 CE LYS A 93 4.497 15.768 -25.073 1.00 0.00 C ATOM 1449 NZ LYS A 93 5.958 15.626 -24.822 1.00 0.00 N ATOM 0 H LYS A 93 2.476 10.046 -23.686 1.00 0.00 H new ATOM 0 HA LYS A 93 1.884 12.807 -23.476 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.167 12.021 -23.572 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.885 11.180 -25.083 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.141 13.260 -25.446 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.592 13.309 -26.264 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.644 14.775 -24.635 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.919 14.453 -23.476 1.00 0.00 H new ATOM 0 HE2 LYS A 93 4.321 15.868 -26.144 1.00 0.00 H new ATOM 0 HE3 LYS A 93 4.135 16.683 -24.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 6.404 16.565 -24.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.109 15.178 -23.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.382 15.035 -25.566 1.00 0.00 H new ATOM 1463 N ALA A 94 1.143 11.326 -26.320 1.00 0.00 N ATOM 1464 CA ALA A 94 0.406 11.483 -27.568 1.00 0.00 C ATOM 1465 C ALA A 94 -1.044 11.874 -27.303 1.00 0.00 C ATOM 1466 O ALA A 94 -1.557 12.832 -27.884 1.00 0.00 O ATOM 1467 CB ALA A 94 0.468 10.201 -28.383 1.00 0.00 C ATOM 0 H ALA A 94 1.490 10.382 -26.152 1.00 0.00 H new ATOM 0 HA ALA A 94 0.873 12.286 -28.139 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.087 10.333 -29.312 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.507 9.965 -28.611 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.028 9.384 -27.811 1.00 0.00 H new ATOM 1473 N THR A 95 -1.703 11.127 -26.423 1.00 0.00 N ATOM 1474 CA THR A 95 -3.094 11.393 -26.082 1.00 0.00 C ATOM 1475 C THR A 95 -3.250 12.768 -25.442 1.00 0.00 C ATOM 1476 O THR A 95 -4.136 13.538 -25.810 1.00 0.00 O ATOM 1477 CB THR A 95 -3.653 10.326 -25.123 1.00 0.00 C ATOM 1478 OG1 THR A 95 -3.445 9.019 -25.669 1.00 0.00 O ATOM 1479 CG2 THR A 95 -5.137 10.546 -24.873 1.00 0.00 C ATOM 0 H THR A 95 -1.294 10.331 -25.933 1.00 0.00 H new ATOM 0 HA THR A 95 -3.658 11.363 -27.014 1.00 0.00 H new ATOM 0 HB THR A 95 -3.125 10.411 -24.173 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.495 8.786 -25.608 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.509 9.780 -24.193 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.289 11.530 -24.430 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.678 10.486 -25.817 1.00 0.00 H new ATOM 1487 N ALA A 96 -2.382 13.069 -24.481 1.00 0.00 N ATOM 1488 CA ALA A 96 -2.422 14.353 -23.791 1.00 0.00 C ATOM 1489 C ALA A 96 -2.080 15.497 -24.739 1.00 0.00 C ATOM 1490 O ALA A 96 -2.573 16.613 -24.583 1.00 0.00 O ATOM 1491 CB ALA A 96 -1.469 14.344 -22.605 1.00 0.00 C ATOM 0 H ALA A 96 -1.643 12.442 -24.163 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.437 14.510 -23.426 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.509 15.309 -22.099 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.761 13.557 -21.910 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.453 14.160 -22.956 1.00 0.00 H new ATOM 1497 N GLU A 97 -1.230 15.211 -25.721 1.00 0.00 N ATOM 1498 CA GLU A 97 -0.821 16.218 -26.694 1.00 0.00 C ATOM 1499 C GLU A 97 -1.938 16.490 -27.698 1.00 0.00 C ATOM 1500 O GLU A 97 -2.107 17.616 -28.166 1.00 0.00 O ATOM 1501 CB GLU A 97 0.442 15.766 -27.429 1.00 0.00 C ATOM 1502 CG GLU A 97 0.801 16.641 -28.617 1.00 0.00 C ATOM 1503 CD GLU A 97 2.298 16.728 -28.847 1.00 0.00 C ATOM 1504 OE1 GLU A 97 3.006 17.235 -27.952 1.00 0.00 O ATOM 1505 OE2 GLU A 97 2.760 16.291 -29.921 1.00 0.00 O ATOM 0 H GLU A 97 -0.812 14.292 -25.864 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.608 17.141 -26.155 1.00 0.00 H new ATOM 0 HB2 GLU A 97 1.277 15.759 -26.728 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.305 14.741 -27.772 1.00 0.00 H new ATOM 0 HG2 GLU A 97 0.322 16.245 -29.513 1.00 0.00 H new ATOM 0 HG3 GLU A 97 0.403 17.643 -28.459 1.00 0.00 H new ATOM 1512 N LYS A 98 -2.697 15.450 -28.026 1.00 0.00 N ATOM 1513 CA LYS A 98 -3.798 15.574 -28.974 1.00 0.00 C ATOM 1514 C LYS A 98 -4.808 16.614 -28.501 1.00 0.00 C ATOM 1515 O LYS A 98 -5.488 17.246 -29.310 1.00 0.00 O ATOM 1516 CB LYS A 98 -4.491 14.222 -29.161 1.00 0.00 C ATOM 1517 CG LYS A 98 -4.712 13.849 -30.617 1.00 0.00 C ATOM 1518 CD LYS A 98 -3.394 13.652 -31.348 1.00 0.00 C ATOM 1519 CE LYS A 98 -3.045 12.177 -31.479 1.00 0.00 C ATOM 1520 NZ LYS A 98 -1.686 11.978 -32.055 1.00 0.00 N ATOM 0 H LYS A 98 -2.570 14.511 -27.649 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.388 15.900 -29.930 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -3.892 13.447 -28.683 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.453 14.242 -28.650 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.301 12.934 -30.674 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.290 14.631 -31.110 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.455 14.102 -32.339 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -2.598 14.169 -30.812 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.097 11.703 -30.499 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.783 11.684 -32.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.486 10.960 -32.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.643 12.408 -33.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.979 12.427 -31.439 1.00 0.00 H new ATOM 1534 N PHE A 99 -4.900 16.788 -27.187 1.00 0.00 N ATOM 1535 CA PHE A 99 -5.827 17.753 -26.606 1.00 0.00 C ATOM 1536 C PHE A 99 -5.587 19.148 -27.175 1.00 0.00 C ATOM 1537 O PHE A 99 -6.467 20.008 -27.134 1.00 0.00 O ATOM 1538 CB PHE A 99 -5.683 17.778 -25.083 1.00 0.00 C ATOM 1539 CG PHE A 99 -6.576 16.796 -24.380 1.00 0.00 C ATOM 1540 CD1 PHE A 99 -6.183 15.477 -24.216 1.00 0.00 C ATOM 1541 CD2 PHE A 99 -7.807 17.191 -23.884 1.00 0.00 C ATOM 1542 CE1 PHE A 99 -7.002 14.571 -23.569 1.00 0.00 C ATOM 1543 CE2 PHE A 99 -8.630 16.290 -23.236 1.00 0.00 C ATOM 1544 CZ PHE A 99 -8.228 14.978 -23.079 1.00 0.00 C ATOM 0 H PHE A 99 -4.344 16.273 -26.504 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.841 17.445 -26.862 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.646 17.567 -24.821 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.905 18.782 -24.722 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.226 15.154 -24.598 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.128 18.215 -24.005 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.684 13.546 -23.447 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -9.587 16.611 -22.852 1.00 0.00 H new ATOM 0 HZ PHE A 99 -8.871 14.272 -22.574 1.00 0.00 H new ATOM 1554 N LYS A 100 -4.388 19.366 -27.704 1.00 0.00 N ATOM 1555 CA LYS A 100 -4.029 20.656 -28.282 1.00 0.00 C ATOM 1556 C LYS A 100 -5.128 21.160 -29.212 1.00 0.00 C ATOM 1557 O LYS A 100 -5.322 22.365 -29.363 1.00 0.00 O ATOM 1558 CB LYS A 100 -2.709 20.545 -29.048 1.00 0.00 C ATOM 1559 CG LYS A 100 -2.036 21.884 -29.297 1.00 0.00 C ATOM 1560 CD LYS A 100 -0.922 22.142 -28.296 1.00 0.00 C ATOM 1561 CE LYS A 100 0.355 21.411 -28.681 1.00 0.00 C ATOM 1562 NZ LYS A 100 1.058 22.081 -29.810 1.00 0.00 N ATOM 0 H LYS A 100 -3.648 18.666 -27.745 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.910 21.371 -27.468 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -2.027 19.903 -28.490 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.894 20.057 -30.005 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.630 21.906 -30.308 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.776 22.682 -29.233 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -0.726 23.213 -28.237 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.241 21.821 -27.304 1.00 0.00 H new ATOM 0 HE2 LYS A 100 1.019 21.361 -27.818 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.116 20.385 -28.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.000 21.658 -29.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 0.507 21.958 -30.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.158 23.095 -29.604 1.00 0.00 H new ATOM 1576 N ASN A 101 -5.845 20.229 -29.833 1.00 0.00 N ATOM 1577 CA ASN A 101 -6.925 20.579 -30.748 1.00 0.00 C ATOM 1578 C ASN A 101 -7.884 21.574 -30.101 1.00 0.00 C ATOM 1579 O ASN A 101 -8.396 22.479 -30.761 1.00 0.00 O ATOM 1580 CB ASN A 101 -7.687 19.323 -31.176 1.00 0.00 C ATOM 1581 CG ASN A 101 -7.883 18.348 -30.031 1.00 0.00 C ATOM 1582 OD1 ASN A 101 -7.922 18.742 -28.865 1.00 0.00 O ATOM 1583 ND2 ASN A 101 -8.007 17.067 -30.359 1.00 0.00 N ATOM 0 H ASN A 101 -5.697 19.226 -29.719 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.485 21.046 -31.629 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -8.660 19.610 -31.576 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -7.144 18.829 -31.982 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -8.141 16.365 -29.631 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -7.969 16.785 -31.339 1.00 0.00 H new ATOM 1590 N LYS A 102 -8.123 21.400 -28.806 1.00 0.00 N ATOM 1591 CA LYS A 102 -9.019 22.282 -28.067 1.00 0.00 C ATOM 1592 C LYS A 102 -8.342 22.816 -26.809 1.00 0.00 C ATOM 1593 O LYS A 102 -9.008 23.176 -25.839 1.00 0.00 O ATOM 1594 CB LYS A 102 -10.304 21.540 -27.692 1.00 0.00 C ATOM 1595 CG LYS A 102 -10.991 20.878 -28.874 1.00 0.00 C ATOM 1596 CD LYS A 102 -11.672 21.900 -29.768 1.00 0.00 C ATOM 1597 CE LYS A 102 -13.092 22.187 -29.305 1.00 0.00 C ATOM 1598 NZ LYS A 102 -14.011 21.053 -29.597 1.00 0.00 N ATOM 0 H LYS A 102 -7.708 20.655 -28.246 1.00 0.00 H new ATOM 0 HA LYS A 102 -9.269 23.126 -28.710 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.070 20.780 -26.946 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.996 22.242 -27.226 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -10.258 20.317 -29.454 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.728 20.161 -28.513 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -11.095 22.825 -29.770 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.690 21.533 -30.794 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -13.091 22.387 -28.233 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -13.459 23.088 -29.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -14.996 21.381 -29.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -13.822 20.690 -30.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -13.858 20.294 -28.903 1.00 0.00 H new ATOM 1612 N GLY A 103 -7.014 22.865 -26.833 1.00 0.00 N ATOM 1613 CA GLY A 103 -6.269 23.358 -25.688 1.00 0.00 C ATOM 1614 C GLY A 103 -4.782 23.455 -25.963 1.00 0.00 C ATOM 1615 O GLY A 103 -4.010 22.586 -25.558 1.00 0.00 O ATOM 0 H GLY A 103 -6.440 22.572 -27.624 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.648 24.340 -25.407 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.436 22.697 -24.838 1.00 0.00 H new ATOM 1619 N PHE A 104 -4.377 24.515 -26.655 1.00 0.00 N ATOM 1620 CA PHE A 104 -2.972 24.722 -26.986 1.00 0.00 C ATOM 1621 C PHE A 104 -2.098 24.608 -25.741 1.00 0.00 C ATOM 1622 O PHE A 104 -0.936 24.208 -25.818 1.00 0.00 O ATOM 1623 CB PHE A 104 -2.776 26.093 -27.637 1.00 0.00 C ATOM 1624 CG PHE A 104 -3.002 27.242 -26.695 1.00 0.00 C ATOM 1625 CD1 PHE A 104 -4.287 27.640 -26.363 1.00 0.00 C ATOM 1626 CD2 PHE A 104 -1.929 27.923 -26.143 1.00 0.00 C ATOM 1627 CE1 PHE A 104 -4.498 28.696 -25.496 1.00 0.00 C ATOM 1628 CE2 PHE A 104 -2.134 28.980 -25.276 1.00 0.00 C ATOM 1629 CZ PHE A 104 -3.420 29.367 -24.953 1.00 0.00 C ATOM 0 H PHE A 104 -5.002 25.244 -26.998 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.672 23.947 -27.691 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -1.764 26.155 -28.037 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -3.459 26.186 -28.482 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -5.133 27.119 -26.786 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -0.922 27.625 -26.393 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -5.504 28.996 -25.244 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.290 29.503 -24.852 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.582 30.193 -24.277 1.00 0.00 H new ATOM 1639 N LYS A 105 -2.664 24.964 -24.592 1.00 0.00 N ATOM 1640 CA LYS A 105 -1.939 24.902 -23.329 1.00 0.00 C ATOM 1641 C LYS A 105 -1.855 23.466 -22.820 1.00 0.00 C ATOM 1642 O LYS A 105 -2.719 23.011 -22.070 1.00 0.00 O ATOM 1643 CB LYS A 105 -2.620 25.786 -22.282 1.00 0.00 C ATOM 1644 CG LYS A 105 -1.733 26.115 -21.094 1.00 0.00 C ATOM 1645 CD LYS A 105 -1.663 24.956 -20.113 1.00 0.00 C ATOM 1646 CE LYS A 105 -1.331 25.435 -18.708 1.00 0.00 C ATOM 1647 NZ LYS A 105 -0.608 24.395 -17.925 1.00 0.00 N ATOM 0 H LYS A 105 -3.624 25.299 -24.510 1.00 0.00 H new ATOM 0 HA LYS A 105 -0.927 25.268 -23.502 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -2.939 26.715 -22.755 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.520 25.285 -21.925 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -0.730 26.358 -21.444 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -2.116 27.000 -20.586 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -2.617 24.428 -20.103 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -0.908 24.243 -20.444 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -0.720 26.336 -18.766 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -2.251 25.706 -18.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -0.194 24.826 -17.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -1.273 23.647 -17.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 0.149 23.985 -18.509 1.00 0.00 H new ATOM 1661 N VAL A 106 -0.808 22.758 -23.231 1.00 0.00 N ATOM 1662 CA VAL A 106 -0.610 21.375 -22.814 1.00 0.00 C ATOM 1663 C VAL A 106 0.777 21.175 -22.213 1.00 0.00 C ATOM 1664 O VAL A 106 1.781 21.581 -22.796 1.00 0.00 O ATOM 1665 CB VAL A 106 -0.791 20.401 -23.994 1.00 0.00 C ATOM 1666 CG1 VAL A 106 -0.550 18.968 -23.546 1.00 0.00 C ATOM 1667 CG2 VAL A 106 -2.177 20.553 -24.602 1.00 0.00 C ATOM 0 H VAL A 106 -0.084 23.119 -23.852 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.365 21.162 -22.057 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.055 20.645 -24.760 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -0.682 18.295 -24.393 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.466 18.873 -23.162 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -1.260 18.708 -22.761 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -2.288 19.858 -25.434 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -2.932 20.337 -23.846 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.306 21.574 -24.962 1.00 0.00 H new ATOM 1677 N GLU A 107 0.823 20.546 -21.042 1.00 0.00 N ATOM 1678 CA GLU A 107 2.088 20.293 -20.362 1.00 0.00 C ATOM 1679 C GLU A 107 2.174 18.843 -19.895 1.00 0.00 C ATOM 1680 O GLU A 107 1.206 18.286 -19.376 1.00 0.00 O ATOM 1681 CB GLU A 107 2.247 21.235 -19.166 1.00 0.00 C ATOM 1682 CG GLU A 107 3.690 21.432 -18.734 1.00 0.00 C ATOM 1683 CD GLU A 107 4.178 20.332 -17.812 1.00 0.00 C ATOM 1684 OE1 GLU A 107 3.426 19.955 -16.889 1.00 0.00 O ATOM 1685 OE2 GLU A 107 5.311 19.847 -18.013 1.00 0.00 O ATOM 0 H GLU A 107 0.000 20.203 -20.546 1.00 0.00 H new ATOM 0 HA GLU A 107 2.895 20.477 -21.071 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.816 22.204 -19.418 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.676 20.841 -18.326 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.328 21.470 -19.617 1.00 0.00 H new ATOM 0 HG3 GLU A 107 3.786 22.393 -18.229 1.00 0.00 H new ATOM 1692 N THR A 108 3.341 18.235 -20.084 1.00 0.00 N ATOM 1693 CA THR A 108 3.555 16.850 -19.686 1.00 0.00 C ATOM 1694 C THR A 108 4.879 16.688 -18.948 1.00 0.00 C ATOM 1695 O THR A 108 5.905 17.222 -19.370 1.00 0.00 O ATOM 1696 CB THR A 108 3.540 15.906 -20.903 1.00 0.00 C ATOM 1697 OG1 THR A 108 4.688 16.146 -21.723 1.00 0.00 O ATOM 1698 CG2 THR A 108 2.274 16.102 -21.724 1.00 0.00 C ATOM 0 H THR A 108 4.153 18.681 -20.511 1.00 0.00 H new ATOM 0 HA THR A 108 2.735 16.583 -19.019 1.00 0.00 H new ATOM 0 HB THR A 108 3.563 14.879 -20.539 1.00 0.00 H new ATOM 0 HG1 THR A 108 5.223 15.327 -21.784 1.00 0.00 H new ATOM 0 HG21 THR A 108 2.286 15.425 -22.578 1.00 0.00 H new ATOM 0 HG22 THR A 108 1.402 15.890 -21.105 1.00 0.00 H new ATOM 0 HG23 THR A 108 2.226 17.132 -22.078 1.00 0.00 H new ATOM 1706 N ASP A 109 4.849 15.947 -17.845 1.00 0.00 N ATOM 1707 CA ASP A 109 6.049 15.714 -17.049 1.00 0.00 C ATOM 1708 C ASP A 109 6.456 14.244 -17.099 1.00 0.00 C ATOM 1709 O ASP A 109 5.704 13.367 -16.677 1.00 0.00 O ATOM 1710 CB ASP A 109 5.816 16.142 -15.599 1.00 0.00 C ATOM 1711 CG ASP A 109 6.217 17.582 -15.350 1.00 0.00 C ATOM 1712 OD1 ASP A 109 5.452 18.488 -15.743 1.00 0.00 O ATOM 1713 OD2 ASP A 109 7.295 17.804 -14.760 1.00 0.00 O ATOM 0 H ASP A 109 4.008 15.498 -17.482 1.00 0.00 H new ATOM 0 HA ASP A 109 6.857 16.312 -17.471 1.00 0.00 H new ATOM 0 HB2 ASP A 109 4.763 16.013 -15.350 1.00 0.00 H new ATOM 0 HB3 ASP A 109 6.383 15.490 -14.935 1.00 0.00 H new ATOM 1718 N MET A 110 7.651 13.985 -17.620 1.00 0.00 N ATOM 1719 CA MET A 110 8.158 12.622 -17.725 1.00 0.00 C ATOM 1720 C MET A 110 9.380 12.425 -16.833 1.00 0.00 C ATOM 1721 O MET A 110 10.085 13.382 -16.510 1.00 0.00 O ATOM 1722 CB MET A 110 8.516 12.299 -19.177 1.00 0.00 C ATOM 1723 CG MET A 110 9.452 13.315 -19.813 1.00 0.00 C ATOM 1724 SD MET A 110 9.655 13.057 -21.586 1.00 0.00 S ATOM 1725 CE MET A 110 10.491 11.473 -21.605 1.00 0.00 C ATOM 0 H MET A 110 8.285 14.700 -17.976 1.00 0.00 H new ATOM 0 HA MET A 110 7.373 11.943 -17.391 1.00 0.00 H new ATOM 0 HB2 MET A 110 8.981 11.314 -19.217 1.00 0.00 H new ATOM 0 HB3 MET A 110 7.600 12.244 -19.765 1.00 0.00 H new ATOM 0 HG2 MET A 110 9.065 14.319 -19.638 1.00 0.00 H new ATOM 0 HG3 MET A 110 10.426 13.259 -19.328 1.00 0.00 H new ATOM 0 HE1 MET A 110 11.332 11.514 -22.297 1.00 0.00 H new ATOM 0 HE2 MET A 110 10.856 11.242 -20.604 1.00 0.00 H new ATOM 0 HE3 MET A 110 9.795 10.698 -21.925 1.00 0.00 H new TER 1735 MET A 110