USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=27 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+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 108 THR OG1 : rot 35:sc= 0.366 USER MOD Set 2.1: A 6 MET CE :methyl -141:sc= -0.951 (180deg=-4.52!) USER MOD Set 2.2: A 20 CYS SG : rot 180:sc= -0.0971 USER MOD Set 3.1: A 10 SER OG : rot 110:sc= 0.791 USER MOD Set 3.2: A 71 ASN : amide:sc= 0.58 K(o=1.4,f=-3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= 0.23 (180deg=0.0464) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 CYS SG : rot -138:sc= 0.383 USER MOD Single : A 7 TYR OH : rot 128:sc= 1.53 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl -162:sc= -0.0263 (180deg=-0.633) USER MOD Single : A 14 SER OG : rot -48:sc= 1.07 USER MOD Single : A 15 HIS : no HD1:sc= -0.874 K(o=-0.87,f=-2.2) 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 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -121:sc= 0.0885 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.498 USER MOD Single : A 40 ASN : amide:sc= -0.832 K(o=-0.83,f=-2.8!) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0935 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -176:sc= 0 (180deg=-0.0191) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.112 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0.132 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl -122:sc= -1.65 (180deg=-4.81!) USER MOD Single : A 89 LYS NZ :NH3+ 154:sc= -0.316 (180deg=-1.22) USER MOD Single : A 90 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0328) USER MOD Single : A 95 THR OG1 : rot 82:sc= 0.906 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= 0.906 K(o=0.91,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.656 0.168 0.644 1.00 0.00 N ATOM 2 CA MET A 1 0.676 1.199 0.324 1.00 0.00 C ATOM 3 C MET A 1 0.235 1.097 -1.133 1.00 0.00 C ATOM 4 O MET A 1 0.841 0.376 -1.927 1.00 0.00 O ATOM 5 CB MET A 1 1.258 2.588 0.596 1.00 0.00 C ATOM 6 CG MET A 1 1.152 3.017 2.050 1.00 0.00 C ATOM 7 SD MET A 1 2.557 2.471 3.040 1.00 0.00 S ATOM 8 CE MET A 1 3.713 3.808 2.754 1.00 0.00 C ATOM 0 H1 MET A 1 2.275 0.503 1.410 1.00 0.00 H new ATOM 0 H2 MET A 1 1.164 -0.696 0.949 1.00 0.00 H new ATOM 0 H3 MET A 1 2.229 -0.040 -0.199 1.00 0.00 H new ATOM 0 HA MET A 1 -0.195 1.046 0.961 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.306 2.598 0.298 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.742 3.318 -0.028 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.078 4.103 2.100 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.233 2.615 2.477 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.635 3.615 3.302 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.932 3.878 1.688 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.277 4.746 3.097 1.00 0.00 H new ATOM 18 N THR A 2 -0.824 1.821 -1.478 1.00 0.00 N ATOM 19 CA THR A 2 -1.347 1.811 -2.839 1.00 0.00 C ATOM 20 C THR A 2 -1.011 3.107 -3.567 1.00 0.00 C ATOM 21 O THR A 2 -0.930 4.172 -2.955 1.00 0.00 O ATOM 22 CB THR A 2 -2.874 1.608 -2.852 1.00 0.00 C ATOM 23 OG1 THR A 2 -3.259 0.716 -1.801 1.00 0.00 O ATOM 24 CG2 THR A 2 -3.334 1.051 -4.191 1.00 0.00 C ATOM 0 H THR A 2 -1.337 2.422 -0.834 1.00 0.00 H new ATOM 0 HA THR A 2 -0.873 0.976 -3.354 1.00 0.00 H new ATOM 0 HB THR A 2 -3.348 2.577 -2.697 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.231 0.594 -1.815 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.416 0.916 -4.177 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.066 1.747 -4.986 1.00 0.00 H new ATOM 0 HG23 THR A 2 -2.851 0.091 -4.371 1.00 0.00 H new ATOM 32 N LEU A 3 -0.817 3.010 -4.878 1.00 0.00 N ATOM 33 CA LEU A 3 -0.490 4.177 -5.691 1.00 0.00 C ATOM 34 C LEU A 3 -1.725 4.693 -6.423 1.00 0.00 C ATOM 35 O LEU A 3 -2.226 4.049 -7.345 1.00 0.00 O ATOM 36 CB LEU A 3 0.607 3.829 -6.699 1.00 0.00 C ATOM 37 CG LEU A 3 1.999 3.582 -6.118 1.00 0.00 C ATOM 38 CD1 LEU A 3 2.818 2.701 -7.048 1.00 0.00 C ATOM 39 CD2 LEU A 3 2.713 4.902 -5.866 1.00 0.00 C ATOM 0 H LEU A 3 -0.880 2.136 -5.400 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.129 4.963 -5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.300 2.938 -7.246 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.677 4.640 -7.424 1.00 0.00 H new ATOM 0 HG LEU A 3 1.887 3.064 -5.166 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.806 2.536 -6.617 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.315 1.743 -7.178 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.921 3.191 -8.016 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.702 4.707 -5.452 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.813 5.447 -6.805 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.136 5.499 -5.160 1.00 0.00 H new ATOM 51 N CYS A 4 -2.207 5.859 -6.008 1.00 0.00 N ATOM 52 CA CYS A 4 -3.383 6.463 -6.625 1.00 0.00 C ATOM 53 C CYS A 4 -2.998 7.698 -7.434 1.00 0.00 C ATOM 54 O CYS A 4 -1.921 8.263 -7.247 1.00 0.00 O ATOM 55 CB CYS A 4 -4.410 6.839 -5.555 1.00 0.00 C ATOM 56 SG CYS A 4 -3.931 8.255 -4.538 1.00 0.00 S ATOM 0 H CYS A 4 -1.802 6.405 -5.247 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.825 5.731 -7.301 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -5.361 7.059 -6.041 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -4.575 5.979 -4.906 1.00 0.00 H new ATOM 0 HG CYS A 4 -4.231 8.018 -3.295 1.00 0.00 H new ATOM 62 N ALA A 5 -3.885 8.109 -8.334 1.00 0.00 N ATOM 63 CA ALA A 5 -3.638 9.276 -9.171 1.00 0.00 C ATOM 64 C ALA A 5 -4.783 10.278 -9.067 1.00 0.00 C ATOM 65 O ALA A 5 -5.952 9.896 -9.015 1.00 0.00 O ATOM 66 CB ALA A 5 -3.434 8.854 -10.619 1.00 0.00 C ATOM 0 H ALA A 5 -4.781 7.651 -8.502 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.730 9.762 -8.814 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.251 9.736 -11.233 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -2.579 8.182 -10.685 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.327 8.342 -10.978 1.00 0.00 H new ATOM 72 N MET A 6 -4.439 11.561 -9.037 1.00 0.00 N ATOM 73 CA MET A 6 -5.439 12.618 -8.939 1.00 0.00 C ATOM 74 C MET A 6 -5.733 13.217 -10.311 1.00 0.00 C ATOM 75 O MET A 6 -4.831 13.707 -10.991 1.00 0.00 O ATOM 76 CB MET A 6 -4.964 13.713 -7.983 1.00 0.00 C ATOM 77 CG MET A 6 -6.075 14.293 -7.122 1.00 0.00 C ATOM 78 SD MET A 6 -6.447 13.268 -5.686 1.00 0.00 S ATOM 79 CE MET A 6 -7.733 12.211 -6.349 1.00 0.00 C ATOM 0 H MET A 6 -3.476 11.894 -9.079 1.00 0.00 H new ATOM 0 HA MET A 6 -6.357 12.179 -8.549 1.00 0.00 H new ATOM 0 HB2 MET A 6 -4.188 13.306 -7.335 1.00 0.00 H new ATOM 0 HB3 MET A 6 -4.507 14.516 -8.562 1.00 0.00 H new ATOM 0 HG2 MET A 6 -5.787 15.290 -6.787 1.00 0.00 H new ATOM 0 HG3 MET A 6 -6.975 14.407 -7.726 1.00 0.00 H new ATOM 0 HE1 MET A 6 -8.500 12.051 -5.591 1.00 0.00 H new ATOM 0 HE2 MET A 6 -8.180 12.686 -7.223 1.00 0.00 H new ATOM 0 HE3 MET A 6 -7.303 11.252 -6.638 1.00 0.00 H new ATOM 89 N TYR A 7 -6.998 13.174 -10.712 1.00 0.00 N ATOM 90 CA TYR A 7 -7.409 13.711 -12.004 1.00 0.00 C ATOM 91 C TYR A 7 -8.433 14.828 -11.829 1.00 0.00 C ATOM 92 O TYR A 7 -9.593 14.578 -11.506 1.00 0.00 O ATOM 93 CB TYR A 7 -7.995 12.600 -12.878 1.00 0.00 C ATOM 94 CG TYR A 7 -7.768 12.811 -14.358 1.00 0.00 C ATOM 95 CD1 TYR A 7 -8.301 13.913 -15.013 1.00 0.00 C ATOM 96 CD2 TYR A 7 -7.018 11.907 -15.101 1.00 0.00 C ATOM 97 CE1 TYR A 7 -8.097 14.109 -16.365 1.00 0.00 C ATOM 98 CE2 TYR A 7 -6.807 12.095 -16.453 1.00 0.00 C ATOM 99 CZ TYR A 7 -7.349 13.198 -17.080 1.00 0.00 C ATOM 100 OH TYR A 7 -7.142 13.390 -18.427 1.00 0.00 O ATOM 0 H TYR A 7 -7.757 12.773 -10.161 1.00 0.00 H new ATOM 0 HA TYR A 7 -6.527 14.124 -12.494 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.555 11.647 -12.584 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.066 12.528 -12.690 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -8.886 14.630 -14.455 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.593 11.043 -14.613 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.521 14.971 -16.859 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.221 11.383 -17.016 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.183 13.331 -18.622 1.00 0.00 H new ATOM 110 N ASN A 8 -7.993 16.064 -12.046 1.00 0.00 N ATOM 111 CA ASN A 8 -8.870 17.221 -11.913 1.00 0.00 C ATOM 112 C ASN A 8 -9.448 17.625 -13.267 1.00 0.00 C ATOM 113 O ASN A 8 -8.773 18.262 -14.076 1.00 0.00 O ATOM 114 CB ASN A 8 -8.107 18.398 -11.301 1.00 0.00 C ATOM 115 CG ASN A 8 -7.164 17.963 -10.195 1.00 0.00 C ATOM 116 OD1 ASN A 8 -7.598 17.615 -9.097 1.00 0.00 O ATOM 117 ND2 ASN A 8 -5.868 17.981 -10.482 1.00 0.00 N ATOM 0 H ASN A 8 -7.035 16.289 -12.314 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.693 16.947 -11.253 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.539 18.904 -12.081 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -8.819 19.122 -10.904 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -5.186 17.699 -9.778 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -5.554 18.277 -11.406 1.00 0.00 H new ATOM 124 N ILE A 9 -10.700 17.249 -13.505 1.00 0.00 N ATOM 125 CA ILE A 9 -11.369 17.573 -14.759 1.00 0.00 C ATOM 126 C ILE A 9 -12.462 18.614 -14.546 1.00 0.00 C ATOM 127 O ILE A 9 -13.307 18.470 -13.662 1.00 0.00 O ATOM 128 CB ILE A 9 -11.987 16.321 -15.407 1.00 0.00 C ATOM 129 CG1 ILE A 9 -12.615 16.675 -16.756 1.00 0.00 C ATOM 130 CG2 ILE A 9 -13.023 15.702 -14.481 1.00 0.00 C ATOM 131 CD1 ILE A 9 -13.234 15.491 -17.465 1.00 0.00 C ATOM 0 H ILE A 9 -11.271 16.720 -12.846 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.609 17.979 -15.426 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.196 15.590 -15.576 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.380 17.436 -16.603 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -11.852 17.114 -17.398 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.451 14.818 -14.953 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.548 15.418 -13.542 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.813 16.426 -14.283 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -13.660 15.817 -18.414 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.469 14.737 -17.650 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.020 15.064 -16.842 1.00 0.00 H new ATOM 143 N SER A 10 -12.441 19.663 -15.362 1.00 0.00 N ATOM 144 CA SER A 10 -13.430 20.730 -15.262 1.00 0.00 C ATOM 145 C SER A 10 -13.987 21.085 -16.637 1.00 0.00 C ATOM 146 O SER A 10 -13.449 21.947 -17.333 1.00 0.00 O ATOM 147 CB SER A 10 -12.809 21.970 -14.615 1.00 0.00 C ATOM 148 OG SER A 10 -11.751 21.614 -13.742 1.00 0.00 O ATOM 0 H SER A 10 -11.750 19.797 -16.100 1.00 0.00 H new ATOM 0 HA SER A 10 -14.250 20.375 -14.638 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.436 22.640 -15.390 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.573 22.517 -14.062 1.00 0.00 H new ATOM 0 HG SER A 10 -10.896 21.890 -14.134 1.00 0.00 H new ATOM 154 N MET A 11 -15.068 20.415 -17.022 1.00 0.00 N ATOM 155 CA MET A 11 -15.699 20.660 -18.313 1.00 0.00 C ATOM 156 C MET A 11 -16.090 22.127 -18.458 1.00 0.00 C ATOM 157 O MET A 11 -15.950 22.911 -17.520 1.00 0.00 O ATOM 158 CB MET A 11 -16.934 19.772 -18.478 1.00 0.00 C ATOM 159 CG MET A 11 -17.130 19.259 -19.895 1.00 0.00 C ATOM 160 SD MET A 11 -17.932 17.645 -19.945 1.00 0.00 S ATOM 161 CE MET A 11 -19.353 18.005 -20.974 1.00 0.00 C ATOM 0 H MET A 11 -15.525 19.698 -16.458 1.00 0.00 H new ATOM 0 HA MET A 11 -14.978 20.416 -19.093 1.00 0.00 H new ATOM 0 HB2 MET A 11 -16.853 18.922 -17.801 1.00 0.00 H new ATOM 0 HB3 MET A 11 -17.818 20.335 -18.179 1.00 0.00 H new ATOM 0 HG2 MET A 11 -17.729 19.976 -20.457 1.00 0.00 H new ATOM 0 HG3 MET A 11 -16.162 19.195 -20.391 1.00 0.00 H new ATOM 0 HE1 MET A 11 -20.103 17.225 -20.844 1.00 0.00 H new ATOM 0 HE2 MET A 11 -19.776 18.967 -20.686 1.00 0.00 H new ATOM 0 HE3 MET A 11 -19.045 18.042 -22.019 1.00 0.00 H new ATOM 171 N ALA A 12 -16.581 22.491 -19.638 1.00 0.00 N ATOM 172 CA ALA A 12 -16.993 23.863 -19.904 1.00 0.00 C ATOM 173 C ALA A 12 -17.973 24.357 -18.844 1.00 0.00 C ATOM 174 O ALA A 12 -19.152 24.009 -18.865 1.00 0.00 O ATOM 175 CB ALA A 12 -17.614 23.969 -21.289 1.00 0.00 C ATOM 0 H ALA A 12 -16.703 21.854 -20.425 1.00 0.00 H new ATOM 0 HA ALA A 12 -16.107 24.496 -19.866 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -17.917 25.000 -21.474 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -16.884 23.665 -22.039 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -18.486 23.318 -21.347 1.00 0.00 H new ATOM 181 N GLY A 13 -17.475 25.170 -17.917 1.00 0.00 N ATOM 182 CA GLY A 13 -18.320 25.698 -16.862 1.00 0.00 C ATOM 183 C GLY A 13 -19.019 24.605 -16.079 1.00 0.00 C ATOM 184 O GLY A 13 -20.235 24.648 -15.889 1.00 0.00 O ATOM 0 H GLY A 13 -16.502 25.472 -17.878 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -17.715 26.298 -16.182 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -19.066 26.363 -17.297 1.00 0.00 H new ATOM 188 N SER A 14 -18.250 23.621 -15.623 1.00 0.00 N ATOM 189 CA SER A 14 -18.805 22.508 -14.860 1.00 0.00 C ATOM 190 C SER A 14 -18.077 22.347 -13.529 1.00 0.00 C ATOM 191 O SER A 14 -18.208 21.323 -12.857 1.00 0.00 O ATOM 192 CB SER A 14 -18.709 21.212 -15.667 1.00 0.00 C ATOM 193 OG SER A 14 -19.212 20.113 -14.927 1.00 0.00 O ATOM 0 H SER A 14 -17.242 23.572 -15.768 1.00 0.00 H new ATOM 0 HA SER A 14 -19.854 22.724 -14.657 1.00 0.00 H new ATOM 0 HB2 SER A 14 -19.269 21.316 -16.596 1.00 0.00 H new ATOM 0 HB3 SER A 14 -17.670 21.026 -15.940 1.00 0.00 H new ATOM 0 HG SER A 14 -18.825 20.120 -14.027 1.00 0.00 H new ATOM 199 N HIS A 15 -17.310 23.365 -13.153 1.00 0.00 N ATOM 200 CA HIS A 15 -16.561 23.338 -11.902 1.00 0.00 C ATOM 201 C HIS A 15 -15.537 22.207 -11.907 1.00 0.00 C ATOM 202 O HIS A 15 -15.629 21.256 -12.682 1.00 0.00 O ATOM 203 CB HIS A 15 -17.514 23.173 -10.717 1.00 0.00 C ATOM 204 CG HIS A 15 -17.854 24.465 -10.039 1.00 0.00 C ATOM 205 ND1 HIS A 15 -16.924 25.451 -9.787 1.00 0.00 N ATOM 206 CD2 HIS A 15 -19.032 24.930 -9.561 1.00 0.00 C ATOM 207 CE1 HIS A 15 -17.514 26.466 -9.182 1.00 0.00 C ATOM 208 NE2 HIS A 15 -18.794 26.175 -9.033 1.00 0.00 N ATOM 0 H HIS A 15 -17.191 24.219 -13.697 1.00 0.00 H new ATOM 0 HA HIS A 15 -16.030 24.285 -11.804 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -18.433 22.701 -11.063 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -17.063 22.498 -9.990 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -19.982 24.417 -9.590 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -17.032 27.378 -8.863 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -19.492 26.777 -8.597 1.00 0.00 H new ATOM 216 N PRO A 16 -14.535 22.312 -11.020 1.00 0.00 N ATOM 217 CA PRO A 16 -13.474 21.308 -10.903 1.00 0.00 C ATOM 218 C PRO A 16 -13.982 19.993 -10.321 1.00 0.00 C ATOM 219 O PRO A 16 -14.690 19.980 -9.314 1.00 0.00 O ATOM 220 CB PRO A 16 -12.470 21.962 -9.950 1.00 0.00 C ATOM 221 CG PRO A 16 -13.280 22.921 -9.147 1.00 0.00 C ATOM 222 CD PRO A 16 -14.362 23.419 -10.065 1.00 0.00 C ATOM 0 HA PRO A 16 -13.053 21.045 -11.873 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.988 21.221 -9.313 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.679 22.474 -10.498 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.706 22.433 -8.270 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.665 23.745 -8.786 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.284 23.630 -9.523 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -14.070 24.341 -10.567 1.00 0.00 H new ATOM 230 N THR A 17 -13.615 18.887 -10.961 1.00 0.00 N ATOM 231 CA THR A 17 -14.034 17.567 -10.508 1.00 0.00 C ATOM 232 C THR A 17 -12.831 16.698 -10.159 1.00 0.00 C ATOM 233 O THR A 17 -12.028 16.353 -11.027 1.00 0.00 O ATOM 234 CB THR A 17 -14.880 16.848 -11.576 1.00 0.00 C ATOM 235 OG1 THR A 17 -16.067 17.601 -11.849 1.00 0.00 O ATOM 236 CG2 THR A 17 -15.256 15.448 -11.116 1.00 0.00 C ATOM 0 H THR A 17 -13.028 18.880 -11.795 1.00 0.00 H new ATOM 0 HA THR A 17 -14.641 17.718 -9.615 1.00 0.00 H new ATOM 0 HB THR A 17 -14.285 16.767 -12.485 1.00 0.00 H new ATOM 0 HG1 THR A 17 -16.599 17.138 -12.530 1.00 0.00 H new ATOM 0 HG21 THR A 17 -15.853 14.960 -11.886 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.350 14.868 -10.937 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.834 15.511 -10.194 1.00 0.00 H new ATOM 244 N THR A 18 -12.712 16.345 -8.883 1.00 0.00 N ATOM 245 CA THR A 18 -11.606 15.517 -8.419 1.00 0.00 C ATOM 246 C THR A 18 -11.900 14.037 -8.634 1.00 0.00 C ATOM 247 O THR A 18 -12.718 13.447 -7.926 1.00 0.00 O ATOM 248 CB THR A 18 -11.311 15.758 -6.926 1.00 0.00 C ATOM 249 OG1 THR A 18 -11.590 17.120 -6.586 1.00 0.00 O ATOM 250 CG2 THR A 18 -9.860 15.436 -6.603 1.00 0.00 C ATOM 0 H THR A 18 -13.368 16.620 -8.152 1.00 0.00 H new ATOM 0 HA THR A 18 -10.732 15.800 -9.005 1.00 0.00 H new ATOM 0 HB THR A 18 -11.952 15.099 -6.340 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.402 17.265 -5.635 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.675 15.614 -5.544 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.659 14.390 -6.836 1.00 0.00 H new ATOM 0 HG23 THR A 18 -9.205 16.073 -7.197 1.00 0.00 H new ATOM 258 N ILE A 19 -11.230 13.441 -9.615 1.00 0.00 N ATOM 259 CA ILE A 19 -11.419 12.029 -9.921 1.00 0.00 C ATOM 260 C ILE A 19 -10.182 11.216 -9.554 1.00 0.00 C ATOM 261 O ILE A 19 -9.117 11.385 -10.150 1.00 0.00 O ATOM 262 CB ILE A 19 -11.737 11.814 -11.413 1.00 0.00 C ATOM 263 CG1 ILE A 19 -12.805 12.807 -11.877 1.00 0.00 C ATOM 264 CG2 ILE A 19 -12.194 10.384 -11.656 1.00 0.00 C ATOM 265 CD1 ILE A 19 -13.158 12.673 -13.342 1.00 0.00 C ATOM 0 H ILE A 19 -10.551 13.915 -10.211 1.00 0.00 H new ATOM 0 HA ILE A 19 -12.265 11.688 -9.325 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.830 11.988 -11.992 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -13.706 12.665 -11.280 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -12.454 13.821 -11.687 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -12.415 10.248 -12.715 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.404 9.694 -11.358 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.091 10.184 -11.069 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -13.921 13.407 -13.601 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.268 12.845 -13.948 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.540 11.670 -13.534 1.00 0.00 H new ATOM 277 N CYS A 20 -10.330 10.335 -8.572 1.00 0.00 N ATOM 278 CA CYS A 20 -9.224 9.494 -8.126 1.00 0.00 C ATOM 279 C CYS A 20 -9.179 8.191 -8.917 1.00 0.00 C ATOM 280 O CYS A 20 -10.095 7.372 -8.839 1.00 0.00 O ATOM 281 CB CYS A 20 -9.355 9.194 -6.632 1.00 0.00 C ATOM 282 SG CYS A 20 -7.866 8.489 -5.888 1.00 0.00 S ATOM 0 H CYS A 20 -11.204 10.184 -8.069 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.294 10.036 -8.300 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -9.609 10.116 -6.108 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -10.185 8.503 -6.482 1.00 0.00 H new ATOM 0 HG CYS A 20 -8.074 8.272 -4.623 1.00 0.00 H new ATOM 288 N VAL A 21 -8.107 8.005 -9.681 1.00 0.00 N ATOM 289 CA VAL A 21 -7.941 6.802 -10.488 1.00 0.00 C ATOM 290 C VAL A 21 -6.656 6.068 -10.123 1.00 0.00 C ATOM 291 O VAL A 21 -5.609 6.686 -9.928 1.00 0.00 O ATOM 292 CB VAL A 21 -7.921 7.133 -11.992 1.00 0.00 C ATOM 293 CG1 VAL A 21 -7.858 5.858 -12.818 1.00 0.00 C ATOM 294 CG2 VAL A 21 -9.138 7.964 -12.370 1.00 0.00 C ATOM 0 H VAL A 21 -7.340 8.673 -9.758 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.795 6.159 -10.277 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.028 7.720 -12.206 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.845 6.111 -13.878 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.953 5.305 -12.566 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.731 5.242 -12.603 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.108 8.189 -13.436 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -10.045 7.405 -12.143 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.134 8.895 -11.803 1.00 0.00 H new ATOM 304 N VAL A 22 -6.742 4.745 -10.031 1.00 0.00 N ATOM 305 CA VAL A 22 -5.585 3.925 -9.691 1.00 0.00 C ATOM 306 C VAL A 22 -4.399 4.247 -10.593 1.00 0.00 C ATOM 307 O VAL A 22 -4.572 4.616 -11.755 1.00 0.00 O ATOM 308 CB VAL A 22 -5.909 2.424 -9.803 1.00 0.00 C ATOM 309 CG1 VAL A 22 -4.741 1.587 -9.304 1.00 0.00 C ATOM 310 CG2 VAL A 22 -7.179 2.094 -9.034 1.00 0.00 C ATOM 0 H VAL A 22 -7.601 4.218 -10.187 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.325 4.157 -8.658 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.075 2.183 -10.853 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.988 0.529 -9.391 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.856 1.803 -9.903 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.540 1.828 -8.260 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.393 1.029 -9.124 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.045 2.349 -7.983 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.011 2.667 -9.443 1.00 0.00 H new ATOM 320 N MET A 23 -3.194 4.104 -10.051 1.00 0.00 N ATOM 321 CA MET A 23 -1.978 4.378 -10.809 1.00 0.00 C ATOM 322 C MET A 23 -1.971 3.605 -12.124 1.00 0.00 C ATOM 323 O MET A 23 -1.783 4.184 -13.194 1.00 0.00 O ATOM 324 CB MET A 23 -0.744 4.012 -9.982 1.00 0.00 C ATOM 325 CG MET A 23 0.569 4.315 -10.685 1.00 0.00 C ATOM 326 SD MET A 23 1.862 3.123 -10.284 1.00 0.00 S ATOM 327 CE MET A 23 1.588 1.887 -11.551 1.00 0.00 C ATOM 0 H MET A 23 -3.033 3.800 -9.091 1.00 0.00 H new ATOM 0 HA MET A 23 -1.952 5.444 -11.035 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.775 4.555 -9.038 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.781 2.950 -9.740 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.407 4.321 -11.763 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.903 5.315 -10.408 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.313 1.081 -11.436 1.00 0.00 H new ATOM 0 HE2 MET A 23 0.580 1.485 -11.455 1.00 0.00 H new ATOM 0 HE3 MET A 23 1.705 2.342 -12.535 1.00 0.00 H new ATOM 337 N ASP A 24 -2.177 2.296 -12.036 1.00 0.00 N ATOM 338 CA ASP A 24 -2.195 1.444 -13.220 1.00 0.00 C ATOM 339 C ASP A 24 -3.366 1.803 -14.130 1.00 0.00 C ATOM 340 O ASP A 24 -3.319 1.573 -15.338 1.00 0.00 O ATOM 341 CB ASP A 24 -2.281 -0.028 -12.814 1.00 0.00 C ATOM 342 CG ASP A 24 -3.398 -0.291 -11.824 1.00 0.00 C ATOM 343 OD1 ASP A 24 -4.578 -0.173 -12.215 1.00 0.00 O ATOM 344 OD2 ASP A 24 -3.093 -0.615 -10.656 1.00 0.00 O ATOM 0 H ASP A 24 -2.334 1.801 -11.158 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.268 1.608 -13.769 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.436 -0.639 -13.703 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.332 -0.337 -12.377 1.00 0.00 H new ATOM 349 N ARG A 25 -4.416 2.365 -13.540 1.00 0.00 N ATOM 350 CA ARG A 25 -5.600 2.753 -14.297 1.00 0.00 C ATOM 351 C ARG A 25 -5.494 4.201 -14.768 1.00 0.00 C ATOM 352 O ARG A 25 -6.450 4.762 -15.304 1.00 0.00 O ATOM 353 CB ARG A 25 -6.858 2.574 -13.445 1.00 0.00 C ATOM 354 CG ARG A 25 -8.136 2.464 -14.261 1.00 0.00 C ATOM 355 CD ARG A 25 -8.184 1.164 -15.048 1.00 0.00 C ATOM 356 NE ARG A 25 -8.186 -0.006 -14.174 1.00 0.00 N ATOM 357 CZ ARG A 25 -8.225 -1.257 -14.620 1.00 0.00 C ATOM 358 NH1 ARG A 25 -8.263 -1.499 -15.923 1.00 0.00 N ATOM 359 NH2 ARG A 25 -8.225 -2.269 -13.762 1.00 0.00 N ATOM 0 H ARG A 25 -4.471 2.562 -12.541 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.668 2.108 -15.173 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.749 1.678 -12.834 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.946 3.417 -12.760 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.999 2.521 -13.597 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.205 3.308 -14.947 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -9.077 1.151 -15.673 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.326 1.114 -15.718 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.156 0.146 -13.166 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.262 -0.724 -16.586 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.293 -2.460 -16.263 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.195 -2.087 -12.759 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.255 -3.229 -14.106 1.00 0.00 H new ATOM 373 N PHE A 26 -4.326 4.800 -14.564 1.00 0.00 N ATOM 374 CA PHE A 26 -4.095 6.183 -14.966 1.00 0.00 C ATOM 375 C PHE A 26 -4.208 6.335 -16.480 1.00 0.00 C ATOM 376 O PHE A 26 -4.992 7.144 -16.978 1.00 0.00 O ATOM 377 CB PHE A 26 -2.716 6.649 -14.496 1.00 0.00 C ATOM 378 CG PHE A 26 -2.370 8.041 -14.943 1.00 0.00 C ATOM 379 CD1 PHE A 26 -1.738 8.256 -16.157 1.00 0.00 C ATOM 380 CD2 PHE A 26 -2.676 9.134 -14.147 1.00 0.00 C ATOM 381 CE1 PHE A 26 -1.418 9.536 -16.571 1.00 0.00 C ATOM 382 CE2 PHE A 26 -2.359 10.415 -14.556 1.00 0.00 C ATOM 383 CZ PHE A 26 -1.728 10.617 -15.769 1.00 0.00 C ATOM 0 H PHE A 26 -3.524 4.350 -14.123 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.859 6.804 -14.498 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.678 6.605 -13.408 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.961 5.958 -14.869 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.492 7.414 -16.787 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.167 8.983 -13.197 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.926 9.690 -17.520 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.604 11.259 -13.928 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.478 11.618 -16.089 1.00 0.00 H new ATOM 393 N LEU A 27 -3.419 5.552 -17.207 1.00 0.00 N ATOM 394 CA LEU A 27 -3.428 5.599 -18.665 1.00 0.00 C ATOM 395 C LEU A 27 -4.834 5.362 -19.209 1.00 0.00 C ATOM 396 O LEU A 27 -5.249 5.997 -20.177 1.00 0.00 O ATOM 397 CB LEU A 27 -2.466 4.554 -19.235 1.00 0.00 C ATOM 398 CG LEU A 27 -2.353 4.507 -20.759 1.00 0.00 C ATOM 399 CD1 LEU A 27 -2.138 5.903 -21.322 1.00 0.00 C ATOM 400 CD2 LEU A 27 -1.223 3.580 -21.181 1.00 0.00 C ATOM 0 H LEU A 27 -2.765 4.877 -16.811 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.101 6.592 -18.974 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.474 4.739 -18.823 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.779 3.571 -18.883 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.287 4.116 -21.162 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.060 5.849 -22.408 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.980 6.539 -21.050 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.219 6.323 -20.913 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.157 3.559 -22.269 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.282 3.942 -20.767 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.420 2.574 -20.810 1.00 0.00 H new ATOM 412 N GLU A 28 -5.561 4.447 -18.576 1.00 0.00 N ATOM 413 CA GLU A 28 -6.920 4.128 -18.996 1.00 0.00 C ATOM 414 C GLU A 28 -7.836 5.340 -18.841 1.00 0.00 C ATOM 415 O GLU A 28 -8.553 5.712 -19.769 1.00 0.00 O ATOM 416 CB GLU A 28 -7.468 2.954 -18.182 1.00 0.00 C ATOM 417 CG GLU A 28 -6.739 1.645 -18.436 1.00 0.00 C ATOM 418 CD GLU A 28 -7.060 1.053 -19.795 1.00 0.00 C ATOM 419 OE1 GLU A 28 -8.254 1.014 -20.159 1.00 0.00 O ATOM 420 OE2 GLU A 28 -6.117 0.629 -20.495 1.00 0.00 O ATOM 0 H GLU A 28 -5.232 3.914 -17.771 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.891 3.848 -20.049 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.403 3.196 -17.121 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.525 2.823 -18.415 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.664 1.811 -18.361 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.006 0.928 -17.659 1.00 0.00 H new ATOM 427 N SER A 29 -7.805 5.949 -17.660 1.00 0.00 N ATOM 428 CA SER A 29 -8.634 7.116 -17.380 1.00 0.00 C ATOM 429 C SER A 29 -8.371 8.225 -18.393 1.00 0.00 C ATOM 430 O SER A 29 -9.301 8.793 -18.965 1.00 0.00 O ATOM 431 CB SER A 29 -8.368 7.629 -15.964 1.00 0.00 C ATOM 432 OG SER A 29 -8.547 9.033 -15.888 1.00 0.00 O ATOM 0 H SER A 29 -7.215 5.654 -16.882 1.00 0.00 H new ATOM 0 HA SER A 29 -9.679 6.816 -17.459 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.040 7.135 -15.263 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.352 7.372 -15.666 1.00 0.00 H new ATOM 0 HG SER A 29 -7.715 9.453 -15.586 1.00 0.00 H new ATOM 438 N PHE A 30 -7.095 8.529 -18.611 1.00 0.00 N ATOM 439 CA PHE A 30 -6.707 9.571 -19.554 1.00 0.00 C ATOM 440 C PHE A 30 -7.185 9.234 -20.963 1.00 0.00 C ATOM 441 O PHE A 30 -7.677 10.100 -21.687 1.00 0.00 O ATOM 442 CB PHE A 30 -5.188 9.754 -19.548 1.00 0.00 C ATOM 443 CG PHE A 30 -4.739 11.053 -20.153 1.00 0.00 C ATOM 444 CD1 PHE A 30 -4.670 12.204 -19.385 1.00 0.00 C ATOM 445 CD2 PHE A 30 -4.385 11.124 -21.491 1.00 0.00 C ATOM 446 CE1 PHE A 30 -4.257 13.401 -19.938 1.00 0.00 C ATOM 447 CE2 PHE A 30 -3.970 12.318 -22.050 1.00 0.00 C ATOM 448 CZ PHE A 30 -3.907 13.458 -21.273 1.00 0.00 C ATOM 0 H PHE A 30 -6.312 8.068 -18.147 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.179 10.503 -19.242 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -4.827 9.697 -18.521 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.729 8.930 -20.094 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.943 12.165 -18.341 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.434 10.236 -22.104 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.208 14.291 -19.327 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.695 12.359 -23.094 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.585 14.392 -21.708 1.00 0.00 H new ATOM 458 N SER A 31 -7.037 7.970 -21.346 1.00 0.00 N ATOM 459 CA SER A 31 -7.449 7.519 -22.670 1.00 0.00 C ATOM 460 C SER A 31 -8.931 7.796 -22.901 1.00 0.00 C ATOM 461 O SER A 31 -9.313 8.377 -23.916 1.00 0.00 O ATOM 462 CB SER A 31 -7.166 6.024 -22.833 1.00 0.00 C ATOM 463 OG SER A 31 -7.107 5.662 -24.202 1.00 0.00 O ATOM 0 H SER A 31 -6.635 7.240 -20.758 1.00 0.00 H new ATOM 0 HA SER A 31 -6.874 8.073 -23.412 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.223 5.774 -22.347 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.945 5.447 -22.334 1.00 0.00 H new ATOM 0 HG SER A 31 -6.923 4.702 -24.279 1.00 0.00 H new ATOM 469 N GLU A 32 -9.761 7.375 -21.952 1.00 0.00 N ATOM 470 CA GLU A 32 -11.201 7.577 -22.053 1.00 0.00 C ATOM 471 C GLU A 32 -11.552 9.058 -21.944 1.00 0.00 C ATOM 472 O GLU A 32 -12.536 9.519 -22.523 1.00 0.00 O ATOM 473 CB GLU A 32 -11.927 6.788 -20.961 1.00 0.00 C ATOM 474 CG GLU A 32 -12.297 5.374 -21.376 1.00 0.00 C ATOM 475 CD GLU A 32 -13.130 5.336 -22.642 1.00 0.00 C ATOM 476 OE1 GLU A 32 -14.273 5.838 -22.615 1.00 0.00 O ATOM 477 OE2 GLU A 32 -12.639 4.804 -23.660 1.00 0.00 O ATOM 0 H GLU A 32 -9.461 6.892 -21.105 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.525 7.216 -23.029 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.294 6.744 -20.075 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.833 7.324 -20.679 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.387 4.794 -21.527 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.850 4.895 -20.568 1.00 0.00 H new ATOM 484 N LEU A 33 -10.740 9.799 -21.197 1.00 0.00 N ATOM 485 CA LEU A 33 -10.964 11.228 -21.011 1.00 0.00 C ATOM 486 C LEU A 33 -10.830 11.977 -22.332 1.00 0.00 C ATOM 487 O LEU A 33 -11.658 12.826 -22.663 1.00 0.00 O ATOM 488 CB LEU A 33 -9.972 11.790 -19.990 1.00 0.00 C ATOM 489 CG LEU A 33 -10.417 13.051 -19.247 1.00 0.00 C ATOM 490 CD1 LEU A 33 -10.578 14.212 -20.215 1.00 0.00 C ATOM 491 CD2 LEU A 33 -11.715 12.796 -18.494 1.00 0.00 C ATOM 0 H LEU A 33 -9.921 9.434 -20.711 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.979 11.366 -20.638 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.760 11.014 -19.254 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.035 12.006 -20.504 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.646 13.314 -18.523 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.895 15.100 -19.668 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.626 14.410 -20.708 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.329 13.960 -20.964 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.017 13.704 -17.971 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.494 12.507 -19.199 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.565 11.994 -17.771 1.00 0.00 H new ATOM 503 N TYR A 34 -9.783 11.656 -23.085 1.00 0.00 N ATOM 504 CA TYR A 34 -9.541 12.299 -24.371 1.00 0.00 C ATOM 505 C TYR A 34 -10.723 12.094 -25.314 1.00 0.00 C ATOM 506 O TYR A 34 -10.910 12.851 -26.267 1.00 0.00 O ATOM 507 CB TYR A 34 -8.265 11.747 -25.008 1.00 0.00 C ATOM 508 CG TYR A 34 -8.085 12.153 -26.454 1.00 0.00 C ATOM 509 CD1 TYR A 34 -8.047 13.493 -26.820 1.00 0.00 C ATOM 510 CD2 TYR A 34 -7.955 11.197 -27.454 1.00 0.00 C ATOM 511 CE1 TYR A 34 -7.884 13.868 -28.139 1.00 0.00 C ATOM 512 CE2 TYR A 34 -7.790 11.563 -28.775 1.00 0.00 C ATOM 513 CZ TYR A 34 -7.755 12.900 -29.113 1.00 0.00 C ATOM 514 OH TYR A 34 -7.592 13.269 -30.429 1.00 0.00 O ATOM 0 H TYR A 34 -9.089 10.955 -22.827 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.420 13.368 -24.197 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.405 12.090 -24.433 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.278 10.659 -24.944 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.147 14.254 -26.060 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.984 10.149 -27.193 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.858 14.914 -28.407 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.689 10.807 -29.539 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.515 12.467 -30.987 1.00 0.00 H new ATOM 524 N ASP A 35 -11.519 11.066 -25.040 1.00 0.00 N ATOM 525 CA ASP A 35 -12.685 10.762 -25.861 1.00 0.00 C ATOM 526 C ASP A 35 -13.907 11.537 -25.379 1.00 0.00 C ATOM 527 O ASP A 35 -14.471 12.346 -26.116 1.00 0.00 O ATOM 528 CB ASP A 35 -12.975 9.260 -25.835 1.00 0.00 C ATOM 529 CG ASP A 35 -12.401 8.538 -27.038 1.00 0.00 C ATOM 530 OD1 ASP A 35 -12.506 9.078 -28.160 1.00 0.00 O ATOM 531 OD2 ASP A 35 -11.845 7.435 -26.858 1.00 0.00 O ATOM 0 H ASP A 35 -11.378 10.429 -24.256 1.00 0.00 H new ATOM 0 HA ASP A 35 -12.467 11.065 -26.885 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.560 8.829 -24.924 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -14.053 9.102 -25.800 1.00 0.00 H new ATOM 536 N ILE A 36 -14.310 11.284 -24.138 1.00 0.00 N ATOM 537 CA ILE A 36 -15.465 11.959 -23.559 1.00 0.00 C ATOM 538 C ILE A 36 -15.299 13.474 -23.609 1.00 0.00 C ATOM 539 O ILE A 36 -16.257 14.205 -23.862 1.00 0.00 O ATOM 540 CB ILE A 36 -15.695 11.527 -22.098 1.00 0.00 C ATOM 541 CG1 ILE A 36 -16.893 12.271 -21.506 1.00 0.00 C ATOM 542 CG2 ILE A 36 -14.445 11.780 -21.268 1.00 0.00 C ATOM 543 CD1 ILE A 36 -17.342 11.726 -20.168 1.00 0.00 C ATOM 0 H ILE A 36 -13.854 10.617 -23.515 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.331 11.671 -24.156 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.910 10.458 -22.080 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.636 13.324 -21.393 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.725 12.220 -22.208 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.623 11.470 -20.238 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -13.613 11.209 -21.680 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.202 12.842 -21.290 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -18.195 12.302 -19.808 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.630 10.681 -20.279 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.525 11.803 -19.451 1.00 0.00 H new ATOM 555 N ILE A 37 -14.078 13.938 -23.368 1.00 0.00 N ATOM 556 CA ILE A 37 -13.786 15.366 -23.389 1.00 0.00 C ATOM 557 C ILE A 37 -14.196 15.991 -24.718 1.00 0.00 C ATOM 558 O ILE A 37 -14.544 17.171 -24.780 1.00 0.00 O ATOM 559 CB ILE A 37 -12.290 15.639 -23.146 1.00 0.00 C ATOM 560 CG1 ILE A 37 -12.058 17.126 -22.869 1.00 0.00 C ATOM 561 CG2 ILE A 37 -11.467 15.182 -24.342 1.00 0.00 C ATOM 562 CD1 ILE A 37 -12.230 17.503 -21.414 1.00 0.00 C ATOM 0 H ILE A 37 -13.275 13.346 -23.156 1.00 0.00 H new ATOM 0 HA ILE A 37 -14.365 15.818 -22.583 1.00 0.00 H new ATOM 0 HB ILE A 37 -11.970 15.072 -22.272 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -11.051 17.394 -23.189 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -12.751 17.712 -23.472 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -10.412 15.382 -24.155 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.612 14.113 -24.496 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.787 15.724 -25.232 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.051 18.571 -21.291 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -13.245 17.266 -21.094 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.519 16.943 -20.807 1.00 0.00 H new ATOM 574 N ASP A 38 -14.153 15.193 -25.779 1.00 0.00 N ATOM 575 CA ASP A 38 -14.523 15.667 -27.108 1.00 0.00 C ATOM 576 C ASP A 38 -15.977 15.329 -27.420 1.00 0.00 C ATOM 577 O ASP A 38 -16.335 15.092 -28.573 1.00 0.00 O ATOM 578 CB ASP A 38 -13.605 15.053 -28.166 1.00 0.00 C ATOM 579 CG ASP A 38 -12.281 15.784 -28.279 1.00 0.00 C ATOM 580 OD1 ASP A 38 -12.241 16.990 -27.961 1.00 0.00 O ATOM 581 OD2 ASP A 38 -11.286 15.149 -28.687 1.00 0.00 O ATOM 0 H ASP A 38 -13.866 14.215 -25.745 1.00 0.00 H new ATOM 0 HA ASP A 38 -14.409 16.751 -27.125 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.420 14.008 -27.919 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -14.109 15.068 -29.133 1.00 0.00 H new ATOM 586 N GLU A 39 -16.810 15.309 -26.385 1.00 0.00 N ATOM 587 CA GLU A 39 -18.225 14.997 -26.549 1.00 0.00 C ATOM 588 C GLU A 39 -19.073 15.766 -25.539 1.00 0.00 C ATOM 589 O GLU A 39 -18.613 16.086 -24.444 1.00 0.00 O ATOM 590 CB GLU A 39 -18.461 13.494 -26.391 1.00 0.00 C ATOM 591 CG GLU A 39 -19.757 13.012 -27.021 1.00 0.00 C ATOM 592 CD GLU A 39 -19.612 12.718 -28.502 1.00 0.00 C ATOM 593 OE1 GLU A 39 -19.022 13.553 -29.218 1.00 0.00 O ATOM 594 OE2 GLU A 39 -20.089 11.651 -28.943 1.00 0.00 O ATOM 0 H GLU A 39 -16.530 15.505 -25.424 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.523 15.300 -27.553 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -17.626 12.955 -26.839 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -18.468 13.245 -25.330 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -20.094 12.112 -26.507 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -20.529 13.768 -26.878 1.00 0.00 H new ATOM 601 N ASN A 40 -20.313 16.059 -25.917 1.00 0.00 N ATOM 602 CA ASN A 40 -21.225 16.791 -25.046 1.00 0.00 C ATOM 603 C ASN A 40 -21.988 15.836 -24.132 1.00 0.00 C ATOM 604 O ASN A 40 -23.218 15.848 -24.094 1.00 0.00 O ATOM 605 CB ASN A 40 -22.209 17.614 -25.879 1.00 0.00 C ATOM 606 CG ASN A 40 -22.915 16.779 -26.931 1.00 0.00 C ATOM 607 OD1 ASN A 40 -23.200 15.601 -26.716 1.00 0.00 O ATOM 608 ND2 ASN A 40 -23.199 17.388 -28.076 1.00 0.00 N ATOM 0 H ASN A 40 -20.709 15.801 -26.821 1.00 0.00 H new ATOM 0 HA ASN A 40 -20.634 17.464 -24.426 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -22.950 18.066 -25.220 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -21.675 18.431 -26.365 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -23.672 16.877 -28.821 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -22.944 18.366 -28.210 1.00 0.00 H new ATOM 615 N ASP A 41 -21.249 15.011 -23.399 1.00 0.00 N ATOM 616 CA ASP A 41 -21.855 14.051 -22.484 1.00 0.00 C ATOM 617 C ASP A 41 -21.734 14.525 -21.039 1.00 0.00 C ATOM 618 O ASP A 41 -20.782 14.180 -20.338 1.00 0.00 O ATOM 619 CB ASP A 41 -21.196 12.679 -22.640 1.00 0.00 C ATOM 620 CG ASP A 41 -21.455 12.064 -24.001 1.00 0.00 C ATOM 621 OD1 ASP A 41 -21.870 12.805 -24.918 1.00 0.00 O ATOM 622 OD2 ASP A 41 -21.241 10.844 -24.151 1.00 0.00 O ATOM 0 H ASP A 41 -20.229 14.988 -23.421 1.00 0.00 H new ATOM 0 HA ASP A 41 -22.913 13.968 -22.733 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -20.121 12.776 -22.487 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -21.569 12.010 -21.865 1.00 0.00 H new ATOM 627 N THR A 42 -22.705 15.321 -20.600 1.00 0.00 N ATOM 628 CA THR A 42 -22.706 15.845 -19.240 1.00 0.00 C ATOM 629 C THR A 42 -23.331 14.851 -18.268 1.00 0.00 C ATOM 630 O THR A 42 -22.747 14.528 -17.234 1.00 0.00 O ATOM 631 CB THR A 42 -23.469 17.180 -19.153 1.00 0.00 C ATOM 632 OG1 THR A 42 -24.806 17.013 -19.640 1.00 0.00 O ATOM 633 CG2 THR A 42 -22.763 18.261 -19.957 1.00 0.00 C ATOM 0 H THR A 42 -23.500 15.616 -21.167 1.00 0.00 H new ATOM 0 HA THR A 42 -21.665 16.012 -18.965 1.00 0.00 H new ATOM 0 HB THR A 42 -23.499 17.488 -18.108 1.00 0.00 H new ATOM 0 HG1 THR A 42 -25.285 17.866 -19.580 1.00 0.00 H new ATOM 0 HG21 THR A 42 -23.321 19.194 -19.880 1.00 0.00 H new ATOM 0 HG22 THR A 42 -21.756 18.407 -19.565 1.00 0.00 H new ATOM 0 HG23 THR A 42 -22.705 17.958 -21.002 1.00 0.00 H new ATOM 641 N ASP A 43 -24.522 14.369 -18.607 1.00 0.00 N ATOM 642 CA ASP A 43 -25.226 13.409 -17.764 1.00 0.00 C ATOM 643 C ASP A 43 -24.383 12.156 -17.546 1.00 0.00 C ATOM 644 O ASP A 43 -24.571 11.432 -16.569 1.00 0.00 O ATOM 645 CB ASP A 43 -26.568 13.033 -18.395 1.00 0.00 C ATOM 646 CG ASP A 43 -27.687 13.966 -17.975 1.00 0.00 C ATOM 647 OD1 ASP A 43 -28.095 13.910 -16.796 1.00 0.00 O ATOM 648 OD2 ASP A 43 -28.153 14.753 -18.825 1.00 0.00 O ATOM 0 H ASP A 43 -25.020 14.627 -19.459 1.00 0.00 H new ATOM 0 HA ASP A 43 -25.406 13.876 -16.796 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -26.473 13.050 -19.481 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -26.825 12.012 -18.113 1.00 0.00 H new ATOM 653 N VAL A 44 -23.455 11.907 -18.464 1.00 0.00 N ATOM 654 CA VAL A 44 -22.583 10.742 -18.372 1.00 0.00 C ATOM 655 C VAL A 44 -21.368 11.032 -17.498 1.00 0.00 C ATOM 656 O VAL A 44 -20.674 10.115 -17.059 1.00 0.00 O ATOM 657 CB VAL A 44 -22.104 10.289 -19.764 1.00 0.00 C ATOM 658 CG1 VAL A 44 -21.358 8.966 -19.668 1.00 0.00 C ATOM 659 CG2 VAL A 44 -23.280 10.179 -20.723 1.00 0.00 C ATOM 0 H VAL A 44 -23.288 12.496 -19.280 1.00 0.00 H new ATOM 0 HA VAL A 44 -23.170 9.943 -17.919 1.00 0.00 H new ATOM 0 HB VAL A 44 -21.416 11.039 -20.154 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -21.027 8.662 -20.661 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -20.492 9.083 -19.017 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -22.020 8.204 -19.257 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -22.923 9.858 -21.701 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -23.995 9.450 -20.340 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -23.766 11.150 -20.815 1.00 0.00 H new ATOM 669 N MET A 45 -21.118 12.313 -17.248 1.00 0.00 N ATOM 670 CA MET A 45 -19.987 12.724 -16.424 1.00 0.00 C ATOM 671 C MET A 45 -20.002 12.000 -15.081 1.00 0.00 C ATOM 672 O MET A 45 -19.005 11.401 -14.678 1.00 0.00 O ATOM 673 CB MET A 45 -20.014 14.237 -16.201 1.00 0.00 C ATOM 674 CG MET A 45 -18.903 14.737 -15.293 1.00 0.00 C ATOM 675 SD MET A 45 -18.446 16.448 -15.632 1.00 0.00 S ATOM 676 CE MET A 45 -16.696 16.271 -15.969 1.00 0.00 C ATOM 0 H MET A 45 -21.683 13.084 -17.604 1.00 0.00 H new ATOM 0 HA MET A 45 -19.070 12.458 -16.950 1.00 0.00 H new ATOM 0 HB2 MET A 45 -19.938 14.740 -17.165 1.00 0.00 H new ATOM 0 HB3 MET A 45 -20.976 14.516 -15.771 1.00 0.00 H new ATOM 0 HG2 MET A 45 -19.221 14.649 -14.254 1.00 0.00 H new ATOM 0 HG3 MET A 45 -18.027 14.100 -15.413 1.00 0.00 H new ATOM 0 HE1 MET A 45 -16.269 17.248 -16.197 1.00 0.00 H new ATOM 0 HE2 MET A 45 -16.198 15.852 -15.095 1.00 0.00 H new ATOM 0 HE3 MET A 45 -16.555 15.606 -16.821 1.00 0.00 H new ATOM 686 N MET A 46 -21.138 12.060 -14.394 1.00 0.00 N ATOM 687 CA MET A 46 -21.281 11.409 -13.097 1.00 0.00 C ATOM 688 C MET A 46 -20.950 9.923 -13.195 1.00 0.00 C ATOM 689 O MET A 46 -20.223 9.383 -12.360 1.00 0.00 O ATOM 690 CB MET A 46 -22.704 11.592 -12.565 1.00 0.00 C ATOM 691 CG MET A 46 -23.780 11.158 -13.546 1.00 0.00 C ATOM 692 SD MET A 46 -25.440 11.603 -12.998 1.00 0.00 S ATOM 693 CE MET A 46 -26.365 10.160 -13.518 1.00 0.00 C ATOM 0 H MET A 46 -21.972 12.552 -14.713 1.00 0.00 H new ATOM 0 HA MET A 46 -20.579 11.875 -12.405 1.00 0.00 H new ATOM 0 HB2 MET A 46 -22.814 11.022 -11.642 1.00 0.00 H new ATOM 0 HB3 MET A 46 -22.856 12.641 -12.312 1.00 0.00 H new ATOM 0 HG2 MET A 46 -23.587 11.615 -14.517 1.00 0.00 H new ATOM 0 HG3 MET A 46 -23.725 10.078 -13.686 1.00 0.00 H new ATOM 0 HE1 MET A 46 -27.414 10.284 -13.249 1.00 0.00 H new ATOM 0 HE2 MET A 46 -26.279 10.043 -14.598 1.00 0.00 H new ATOM 0 HE3 MET A 46 -25.966 9.274 -13.024 1.00 0.00 H new ATOM 703 N ASP A 47 -21.487 9.268 -14.218 1.00 0.00 N ATOM 704 CA ASP A 47 -21.248 7.844 -14.425 1.00 0.00 C ATOM 705 C ASP A 47 -19.775 7.578 -14.719 1.00 0.00 C ATOM 706 O ASP A 47 -19.221 6.562 -14.299 1.00 0.00 O ATOM 707 CB ASP A 47 -22.113 7.322 -15.573 1.00 0.00 C ATOM 708 CG ASP A 47 -21.761 5.899 -15.962 1.00 0.00 C ATOM 709 OD1 ASP A 47 -20.811 5.718 -16.752 1.00 0.00 O ATOM 710 OD2 ASP A 47 -22.435 4.968 -15.475 1.00 0.00 O ATOM 0 H ASP A 47 -22.091 9.700 -14.917 1.00 0.00 H new ATOM 0 HA ASP A 47 -21.518 7.318 -13.509 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -23.163 7.367 -15.283 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -21.993 7.973 -16.439 1.00 0.00 H new ATOM 715 N PHE A 48 -19.146 8.498 -15.443 1.00 0.00 N ATOM 716 CA PHE A 48 -17.738 8.361 -15.796 1.00 0.00 C ATOM 717 C PHE A 48 -16.855 8.449 -14.554 1.00 0.00 C ATOM 718 O PHE A 48 -15.889 7.698 -14.412 1.00 0.00 O ATOM 719 CB PHE A 48 -17.334 9.444 -16.799 1.00 0.00 C ATOM 720 CG PHE A 48 -15.850 9.539 -17.013 1.00 0.00 C ATOM 721 CD1 PHE A 48 -15.216 8.723 -17.936 1.00 0.00 C ATOM 722 CD2 PHE A 48 -15.090 10.445 -16.292 1.00 0.00 C ATOM 723 CE1 PHE A 48 -13.851 8.808 -18.135 1.00 0.00 C ATOM 724 CE2 PHE A 48 -13.724 10.535 -16.487 1.00 0.00 C ATOM 725 CZ PHE A 48 -13.104 9.716 -17.410 1.00 0.00 C ATOM 0 H PHE A 48 -19.589 9.346 -15.797 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.597 7.381 -16.253 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -17.819 9.242 -17.754 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -17.705 10.408 -16.450 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -15.795 8.012 -18.507 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -15.570 11.088 -15.569 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -13.369 8.165 -18.857 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -13.142 11.245 -15.918 1.00 0.00 H new ATOM 0 HZ PHE A 48 -12.037 9.785 -17.565 1.00 0.00 H new ATOM 735 N ILE A 49 -17.195 9.370 -13.658 1.00 0.00 N ATOM 736 CA ILE A 49 -16.434 9.555 -12.428 1.00 0.00 C ATOM 737 C ILE A 49 -16.655 8.394 -11.465 1.00 0.00 C ATOM 738 O ILE A 49 -15.728 7.952 -10.786 1.00 0.00 O ATOM 739 CB ILE A 49 -16.815 10.871 -11.724 1.00 0.00 C ATOM 740 CG1 ILE A 49 -16.544 12.064 -12.643 1.00 0.00 C ATOM 741 CG2 ILE A 49 -16.047 11.014 -10.419 1.00 0.00 C ATOM 742 CD1 ILE A 49 -17.566 13.171 -12.514 1.00 0.00 C ATOM 0 H ILE A 49 -17.991 9.999 -13.761 1.00 0.00 H new ATOM 0 HA ILE A 49 -15.382 9.594 -12.710 1.00 0.00 H new ATOM 0 HB ILE A 49 -17.880 10.849 -11.495 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -15.555 12.466 -12.421 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -16.523 11.719 -13.677 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.327 11.949 -9.933 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -16.286 10.178 -9.762 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -14.977 11.018 -10.625 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -17.310 13.983 -13.194 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -18.554 12.785 -12.765 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.571 13.544 -11.490 1.00 0.00 H new ATOM 754 N SER A 50 -17.889 7.901 -11.413 1.00 0.00 N ATOM 755 CA SER A 50 -18.232 6.792 -10.531 1.00 0.00 C ATOM 756 C SER A 50 -17.731 5.469 -11.103 1.00 0.00 C ATOM 757 O SER A 50 -17.494 4.512 -10.365 1.00 0.00 O ATOM 758 CB SER A 50 -19.746 6.729 -10.322 1.00 0.00 C ATOM 759 OG SER A 50 -20.123 5.523 -9.680 1.00 0.00 O ATOM 0 H SER A 50 -18.667 8.252 -11.971 1.00 0.00 H new ATOM 0 HA SER A 50 -17.746 6.960 -9.570 1.00 0.00 H new ATOM 0 HB2 SER A 50 -20.069 7.580 -9.723 1.00 0.00 H new ATOM 0 HB3 SER A 50 -20.253 6.806 -11.284 1.00 0.00 H new ATOM 0 HG SER A 50 -21.095 5.508 -9.557 1.00 0.00 H new ATOM 765 N ARG A 51 -17.572 5.423 -12.421 1.00 0.00 N ATOM 766 CA ARG A 51 -17.100 4.218 -13.093 1.00 0.00 C ATOM 767 C ARG A 51 -15.585 4.083 -12.967 1.00 0.00 C ATOM 768 O ARG A 51 -15.073 3.019 -12.620 1.00 0.00 O ATOM 769 CB ARG A 51 -17.499 4.242 -14.570 1.00 0.00 C ATOM 770 CG ARG A 51 -18.907 3.730 -14.828 1.00 0.00 C ATOM 771 CD ARG A 51 -18.988 2.220 -14.666 1.00 0.00 C ATOM 772 NE ARG A 51 -20.202 1.670 -15.263 1.00 0.00 N ATOM 773 CZ ARG A 51 -20.343 0.391 -15.595 1.00 0.00 C ATOM 774 NH1 ARG A 51 -19.352 -0.465 -15.388 1.00 0.00 N ATOM 775 NH2 ARG A 51 -21.479 -0.034 -16.134 1.00 0.00 N ATOM 0 H ARG A 51 -17.763 6.207 -13.045 1.00 0.00 H new ATOM 0 HA ARG A 51 -17.566 3.358 -12.612 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -17.419 5.263 -14.943 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -16.792 3.638 -15.139 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -19.602 4.209 -14.138 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -19.217 4.006 -15.836 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -18.115 1.758 -15.128 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -18.958 1.967 -13.606 1.00 0.00 H new ATOM 0 HE ARG A 51 -20.984 2.302 -15.434 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -18.478 -0.143 -14.973 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -19.464 -1.446 -15.644 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -22.244 0.621 -16.294 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -21.587 -1.016 -16.389 1.00 0.00 H new ATOM 789 N PHE A 52 -14.874 5.169 -13.252 1.00 0.00 N ATOM 790 CA PHE A 52 -13.418 5.172 -13.172 1.00 0.00 C ATOM 791 C PHE A 52 -12.953 5.365 -11.731 1.00 0.00 C ATOM 792 O PHE A 52 -12.120 4.610 -11.230 1.00 0.00 O ATOM 793 CB PHE A 52 -12.839 6.276 -14.058 1.00 0.00 C ATOM 794 CG PHE A 52 -12.473 5.808 -15.437 1.00 0.00 C ATOM 795 CD1 PHE A 52 -11.321 5.068 -15.649 1.00 0.00 C ATOM 796 CD2 PHE A 52 -13.281 6.106 -16.522 1.00 0.00 C ATOM 797 CE1 PHE A 52 -10.981 4.636 -16.917 1.00 0.00 C ATOM 798 CE2 PHE A 52 -12.947 5.677 -17.793 1.00 0.00 C ATOM 799 CZ PHE A 52 -11.796 4.940 -17.990 1.00 0.00 C ATOM 0 H PHE A 52 -15.282 6.058 -13.540 1.00 0.00 H new ATOM 0 HA PHE A 52 -13.058 4.206 -13.526 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.565 7.085 -14.138 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.953 6.690 -13.576 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.681 4.826 -14.813 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -14.183 6.681 -16.373 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.079 4.061 -17.069 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -13.585 5.918 -18.630 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.533 4.602 -18.981 1.00 0.00 H new ATOM 809 N ALA A 53 -13.498 6.381 -11.071 1.00 0.00 N ATOM 810 CA ALA A 53 -13.140 6.673 -9.688 1.00 0.00 C ATOM 811 C ALA A 53 -14.077 5.962 -8.717 1.00 0.00 C ATOM 812 O ALA A 53 -15.095 5.400 -9.121 1.00 0.00 O ATOM 813 CB ALA A 53 -13.163 8.174 -9.443 1.00 0.00 C ATOM 0 H ALA A 53 -14.189 7.016 -11.471 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.130 6.303 -9.514 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.894 8.378 -8.407 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.449 8.662 -10.106 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.163 8.560 -9.641 1.00 0.00 H new ATOM 819 N ARG A 54 -13.726 5.991 -7.436 1.00 0.00 N ATOM 820 CA ARG A 54 -14.535 5.347 -6.408 1.00 0.00 C ATOM 821 C ARG A 54 -14.623 3.843 -6.647 1.00 0.00 C ATOM 822 O ARG A 54 -15.714 3.284 -6.763 1.00 0.00 O ATOM 823 CB ARG A 54 -15.940 5.953 -6.381 1.00 0.00 C ATOM 824 CG ARG A 54 -16.600 5.900 -5.012 1.00 0.00 C ATOM 825 CD ARG A 54 -18.079 6.243 -5.093 1.00 0.00 C ATOM 826 NE ARG A 54 -18.680 6.388 -3.770 1.00 0.00 N ATOM 827 CZ ARG A 54 -19.977 6.597 -3.572 1.00 0.00 C ATOM 828 NH1 ARG A 54 -20.804 6.685 -4.605 1.00 0.00 N ATOM 829 NH2 ARG A 54 -20.449 6.718 -2.338 1.00 0.00 N ATOM 0 H ARG A 54 -12.887 6.453 -7.085 1.00 0.00 H new ATOM 0 HA ARG A 54 -14.054 5.516 -5.444 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -15.885 6.991 -6.709 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -16.568 5.425 -7.099 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -16.479 4.904 -4.587 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -16.100 6.596 -4.339 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -18.206 7.170 -5.653 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -18.602 5.463 -5.645 1.00 0.00 H new ATOM 0 HE ARG A 54 -18.071 6.325 -2.954 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -20.445 6.592 -5.555 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -21.799 6.845 -4.449 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -19.816 6.651 -1.541 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -21.445 6.878 -2.186 1.00 0.00 H new ATOM 843 N THR A 55 -13.466 3.192 -6.721 1.00 0.00 N ATOM 844 CA THR A 55 -13.412 1.754 -6.949 1.00 0.00 C ATOM 845 C THR A 55 -13.106 1.004 -5.657 1.00 0.00 C ATOM 846 O THR A 55 -13.454 -0.168 -5.511 1.00 0.00 O ATOM 847 CB THR A 55 -12.348 1.391 -8.003 1.00 0.00 C ATOM 848 OG1 THR A 55 -11.037 1.526 -7.443 1.00 0.00 O ATOM 849 CG2 THR A 55 -12.476 2.283 -9.229 1.00 0.00 C ATOM 0 H THR A 55 -12.554 3.639 -6.626 1.00 0.00 H new ATOM 0 HA THR A 55 -14.394 1.456 -7.317 1.00 0.00 H new ATOM 0 HB THR A 55 -12.507 0.356 -8.307 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.367 1.292 -8.119 1.00 0.00 H new ATOM 0 HG21 THR A 55 -11.715 2.009 -9.960 1.00 0.00 H new ATOM 0 HG22 THR A 55 -13.465 2.156 -9.670 1.00 0.00 H new ATOM 0 HG23 THR A 55 -12.340 3.324 -8.937 1.00 0.00 H new ATOM 857 N ASP A 56 -12.454 1.687 -4.722 1.00 0.00 N ATOM 858 CA ASP A 56 -12.103 1.085 -3.441 1.00 0.00 C ATOM 859 C ASP A 56 -12.315 2.075 -2.300 1.00 0.00 C ATOM 860 O ASP A 56 -12.648 3.237 -2.528 1.00 0.00 O ATOM 861 CB ASP A 56 -10.650 0.610 -3.458 1.00 0.00 C ATOM 862 CG ASP A 56 -10.495 -0.759 -4.092 1.00 0.00 C ATOM 863 OD1 ASP A 56 -11.518 -1.454 -4.257 1.00 0.00 O ATOM 864 OD2 ASP A 56 -9.350 -1.134 -4.422 1.00 0.00 O ATOM 0 H ASP A 56 -12.158 2.657 -4.827 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.755 0.227 -3.279 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.042 1.331 -4.004 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.269 0.580 -2.437 1.00 0.00 H new ATOM 869 N GLU A 57 -12.120 1.605 -1.072 1.00 0.00 N ATOM 870 CA GLU A 57 -12.292 2.449 0.105 1.00 0.00 C ATOM 871 C GLU A 57 -10.944 2.953 0.615 1.00 0.00 C ATOM 872 O GLU A 57 -10.719 3.039 1.822 1.00 0.00 O ATOM 873 CB GLU A 57 -13.013 1.678 1.212 1.00 0.00 C ATOM 874 CG GLU A 57 -14.218 0.894 0.722 1.00 0.00 C ATOM 875 CD GLU A 57 -14.903 0.122 1.834 1.00 0.00 C ATOM 876 OE1 GLU A 57 -14.224 -0.688 2.498 1.00 0.00 O ATOM 877 OE2 GLU A 57 -16.117 0.328 2.039 1.00 0.00 O ATOM 0 H GLU A 57 -11.843 0.645 -0.866 1.00 0.00 H new ATOM 0 HA GLU A 57 -12.897 3.309 -0.182 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.310 0.991 1.682 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -13.335 2.380 1.981 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.933 1.580 0.267 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.903 0.200 -0.057 1.00 0.00 H new ATOM 884 N ILE A 58 -10.053 3.283 -0.314 1.00 0.00 N ATOM 885 CA ILE A 58 -8.729 3.777 0.041 1.00 0.00 C ATOM 886 C ILE A 58 -8.557 5.234 -0.376 1.00 0.00 C ATOM 887 O ILE A 58 -9.182 5.696 -1.329 1.00 0.00 O ATOM 888 CB ILE A 58 -7.619 2.934 -0.613 1.00 0.00 C ATOM 889 CG1 ILE A 58 -7.909 1.442 -0.433 1.00 0.00 C ATOM 890 CG2 ILE A 58 -6.264 3.290 -0.020 1.00 0.00 C ATOM 891 CD1 ILE A 58 -7.996 1.013 1.015 1.00 0.00 C ATOM 0 H ILE A 58 -10.224 3.217 -1.317 1.00 0.00 H new ATOM 0 HA ILE A 58 -8.643 3.698 1.125 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.596 3.155 -1.680 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.847 1.200 -0.932 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -7.127 0.866 -0.928 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.490 2.686 -0.493 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -6.057 4.346 -0.194 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.273 3.094 1.052 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -8.204 -0.056 1.066 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.050 1.223 1.514 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.797 1.562 1.510 1.00 0.00 H new ATOM 903 N MET A 59 -7.702 5.953 0.345 1.00 0.00 N ATOM 904 CA MET A 59 -7.445 7.357 0.049 1.00 0.00 C ATOM 905 C MET A 59 -6.416 7.938 1.014 1.00 0.00 C ATOM 906 O MET A 59 -5.341 8.387 0.617 1.00 0.00 O ATOM 907 CB MET A 59 -8.744 8.163 0.124 1.00 0.00 C ATOM 908 CG MET A 59 -9.241 8.641 -1.230 1.00 0.00 C ATOM 909 SD MET A 59 -9.994 10.278 -1.155 1.00 0.00 S ATOM 910 CE MET A 59 -11.415 9.950 -0.116 1.00 0.00 C ATOM 0 H MET A 59 -7.176 5.586 1.138 1.00 0.00 H new ATOM 0 HA MET A 59 -7.044 7.421 -0.963 1.00 0.00 H new ATOM 0 HB2 MET A 59 -9.516 7.550 0.590 1.00 0.00 H new ATOM 0 HB3 MET A 59 -8.589 9.027 0.771 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.408 8.660 -1.932 1.00 0.00 H new ATOM 0 HG3 MET A 59 -9.968 7.928 -1.618 1.00 0.00 H new ATOM 0 HE1 MET A 59 -12.022 10.852 -0.034 1.00 0.00 H new ATOM 0 HE2 MET A 59 -12.011 9.150 -0.556 1.00 0.00 H new ATOM 0 HE3 MET A 59 -11.079 9.648 0.876 1.00 0.00 H new ATOM 920 N PRO A 60 -6.751 7.929 2.313 1.00 0.00 N ATOM 921 CA PRO A 60 -5.870 8.451 3.361 1.00 0.00 C ATOM 922 C PRO A 60 -4.639 7.576 3.572 1.00 0.00 C ATOM 923 O PRO A 60 -3.722 7.945 4.305 1.00 0.00 O ATOM 924 CB PRO A 60 -6.756 8.437 4.609 1.00 0.00 C ATOM 925 CG PRO A 60 -7.771 7.380 4.341 1.00 0.00 C ATOM 926 CD PRO A 60 -8.016 7.408 2.858 1.00 0.00 C ATOM 0 HA PRO A 60 -5.479 9.437 3.111 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -6.176 8.211 5.504 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -7.227 9.406 4.771 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -7.409 6.402 4.658 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -8.691 7.574 4.892 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -8.242 6.415 2.469 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -8.859 8.050 2.602 1.00 0.00 H new ATOM 934 N GLU A 61 -4.625 6.415 2.924 1.00 0.00 N ATOM 935 CA GLU A 61 -3.506 5.488 3.042 1.00 0.00 C ATOM 936 C GLU A 61 -2.615 5.550 1.804 1.00 0.00 C ATOM 937 O GLU A 61 -1.403 5.742 1.907 1.00 0.00 O ATOM 938 CB GLU A 61 -4.016 4.060 3.245 1.00 0.00 C ATOM 939 CG GLU A 61 -5.071 3.940 4.332 1.00 0.00 C ATOM 940 CD GLU A 61 -5.319 2.503 4.747 1.00 0.00 C ATOM 941 OE1 GLU A 61 -4.423 1.660 4.531 1.00 0.00 O ATOM 942 OE2 GLU A 61 -6.409 2.220 5.289 1.00 0.00 O ATOM 0 H GLU A 61 -5.376 6.095 2.312 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.915 5.782 3.910 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.431 3.694 2.306 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.174 3.414 3.495 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -4.758 4.517 5.202 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.004 4.378 3.978 1.00 0.00 H new ATOM 949 N ASP A 62 -3.225 5.386 0.635 1.00 0.00 N ATOM 950 CA ASP A 62 -2.488 5.424 -0.623 1.00 0.00 C ATOM 951 C ASP A 62 -1.722 6.736 -0.765 1.00 0.00 C ATOM 952 O ASP A 62 -1.818 7.619 0.087 1.00 0.00 O ATOM 953 CB ASP A 62 -3.444 5.247 -1.804 1.00 0.00 C ATOM 954 CG ASP A 62 -4.572 6.260 -1.792 1.00 0.00 C ATOM 955 OD1 ASP A 62 -4.293 7.457 -1.567 1.00 0.00 O ATOM 956 OD2 ASP A 62 -5.734 5.857 -2.009 1.00 0.00 O ATOM 0 H ASP A 62 -4.227 5.226 0.532 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.770 4.604 -0.620 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.886 5.339 -2.736 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.863 4.241 -1.781 1.00 0.00 H new ATOM 961 N LYS A 63 -0.960 6.855 -1.847 1.00 0.00 N ATOM 962 CA LYS A 63 -0.177 8.058 -2.102 1.00 0.00 C ATOM 963 C LYS A 63 -0.415 8.573 -3.518 1.00 0.00 C ATOM 964 O LYS A 63 -0.765 7.808 -4.417 1.00 0.00 O ATOM 965 CB LYS A 63 1.313 7.775 -1.896 1.00 0.00 C ATOM 966 CG LYS A 63 2.161 9.030 -1.785 1.00 0.00 C ATOM 967 CD LYS A 63 3.630 8.695 -1.585 1.00 0.00 C ATOM 968 CE LYS A 63 3.891 8.143 -0.192 1.00 0.00 C ATOM 969 NZ LYS A 63 5.294 8.386 0.247 1.00 0.00 N ATOM 0 H LYS A 63 -0.868 6.133 -2.561 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.497 8.825 -1.396 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.440 7.180 -0.992 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.678 7.172 -2.728 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.043 9.631 -2.687 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.808 9.636 -0.950 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.943 7.965 -2.331 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.233 9.589 -1.742 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.204 8.605 0.516 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.687 7.072 -0.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.432 7.995 1.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.950 7.924 -0.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.481 9.409 0.262 1.00 0.00 H new ATOM 983 N THR A 64 -0.223 9.875 -3.710 1.00 0.00 N ATOM 984 CA THR A 64 -0.417 10.491 -5.016 1.00 0.00 C ATOM 985 C THR A 64 0.774 10.230 -5.930 1.00 0.00 C ATOM 986 O THR A 64 1.818 10.872 -5.805 1.00 0.00 O ATOM 987 CB THR A 64 -0.633 12.011 -4.893 1.00 0.00 C ATOM 988 OG1 THR A 64 -0.433 12.426 -3.538 1.00 0.00 O ATOM 989 CG2 THR A 64 -2.032 12.398 -5.346 1.00 0.00 C ATOM 0 H THR A 64 0.067 10.523 -2.977 1.00 0.00 H new ATOM 0 HA THR A 64 -1.309 10.039 -5.450 1.00 0.00 H new ATOM 0 HB THR A 64 0.091 12.511 -5.536 1.00 0.00 H new ATOM 0 HG1 THR A 64 -0.570 13.394 -3.469 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.160 13.476 -5.250 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.171 12.108 -6.387 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.769 11.888 -4.726 1.00 0.00 H new ATOM 997 N VAL A 65 0.613 9.284 -6.850 1.00 0.00 N ATOM 998 CA VAL A 65 1.676 8.940 -7.787 1.00 0.00 C ATOM 999 C VAL A 65 1.784 9.976 -8.900 1.00 0.00 C ATOM 1000 O VAL A 65 2.779 10.024 -9.622 1.00 0.00 O ATOM 1001 CB VAL A 65 1.444 7.552 -8.413 1.00 0.00 C ATOM 1002 CG1 VAL A 65 0.226 7.573 -9.323 1.00 0.00 C ATOM 1003 CG2 VAL A 65 2.681 7.097 -9.173 1.00 0.00 C ATOM 0 H VAL A 65 -0.243 8.742 -6.966 1.00 0.00 H new ATOM 0 HA VAL A 65 2.606 8.923 -7.219 1.00 0.00 H new ATOM 0 HB VAL A 65 1.255 6.838 -7.611 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.078 6.584 -9.756 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.655 7.851 -8.745 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.381 8.299 -10.121 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.499 6.115 -9.609 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.903 7.810 -9.967 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.528 7.040 -8.489 1.00 0.00 H new ATOM 1013 N GLY A 66 0.752 10.804 -9.033 1.00 0.00 N ATOM 1014 CA GLY A 66 0.751 11.829 -10.061 1.00 0.00 C ATOM 1015 C GLY A 66 -0.564 12.578 -10.130 1.00 0.00 C ATOM 1016 O GLY A 66 -1.597 12.076 -9.687 1.00 0.00 O ATOM 0 H GLY A 66 -0.083 10.783 -8.448 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.558 12.535 -9.867 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.955 11.370 -11.028 1.00 0.00 H new ATOM 1020 N PHE A 67 -0.527 13.784 -10.687 1.00 0.00 N ATOM 1021 CA PHE A 67 -1.725 14.606 -10.811 1.00 0.00 C ATOM 1022 C PHE A 67 -1.860 15.162 -12.226 1.00 0.00 C ATOM 1023 O PHE A 67 -0.864 15.457 -12.886 1.00 0.00 O ATOM 1024 CB PHE A 67 -1.688 15.755 -9.801 1.00 0.00 C ATOM 1025 CG PHE A 67 -0.554 16.714 -10.026 1.00 0.00 C ATOM 1026 CD1 PHE A 67 0.707 16.448 -9.517 1.00 0.00 C ATOM 1027 CD2 PHE A 67 -0.749 17.882 -10.745 1.00 0.00 C ATOM 1028 CE1 PHE A 67 1.753 17.328 -9.723 1.00 0.00 C ATOM 1029 CE2 PHE A 67 0.293 18.766 -10.954 1.00 0.00 C ATOM 1030 CZ PHE A 67 1.545 18.489 -10.441 1.00 0.00 C ATOM 0 H PHE A 67 0.320 14.214 -11.060 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.590 13.976 -10.603 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.630 16.301 -9.849 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.610 15.342 -8.795 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.875 15.543 -8.953 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.726 18.104 -11.147 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.732 17.108 -9.323 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.128 19.672 -11.518 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.360 19.179 -10.601 1.00 0.00 H new ATOM 1040 N VAL A 68 -3.100 15.301 -12.685 1.00 0.00 N ATOM 1041 CA VAL A 68 -3.366 15.821 -14.021 1.00 0.00 C ATOM 1042 C VAL A 68 -4.420 16.923 -13.981 1.00 0.00 C ATOM 1043 O VAL A 68 -5.543 16.707 -13.526 1.00 0.00 O ATOM 1044 CB VAL A 68 -3.840 14.707 -14.973 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -4.124 15.272 -16.356 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -2.807 13.593 -15.044 1.00 0.00 C ATOM 0 H VAL A 68 -3.936 15.061 -12.152 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.428 16.232 -14.394 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.767 14.287 -14.582 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.458 14.470 -17.015 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.902 16.032 -16.286 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.216 15.719 -16.760 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.158 12.814 -15.721 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.863 13.995 -15.412 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.659 13.170 -14.050 1.00 0.00 H new ATOM 1056 N VAL A 69 -4.050 18.105 -14.462 1.00 0.00 N ATOM 1057 CA VAL A 69 -4.963 19.242 -14.484 1.00 0.00 C ATOM 1058 C VAL A 69 -5.626 19.388 -15.849 1.00 0.00 C ATOM 1059 O VAL A 69 -4.960 19.653 -16.850 1.00 0.00 O ATOM 1060 CB VAL A 69 -4.235 20.554 -14.136 1.00 0.00 C ATOM 1061 CG1 VAL A 69 -5.197 21.730 -14.193 1.00 0.00 C ATOM 1062 CG2 VAL A 69 -3.584 20.453 -12.765 1.00 0.00 C ATOM 0 H VAL A 69 -3.124 18.301 -14.842 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.727 19.049 -13.731 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.451 20.722 -14.874 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.665 22.648 -13.944 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.612 21.812 -15.198 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.005 21.574 -13.478 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.074 21.388 -12.535 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.349 20.262 -12.012 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.862 19.636 -12.764 1.00 0.00 H new ATOM 1072 N VAL A 70 -6.943 19.214 -15.883 1.00 0.00 N ATOM 1073 CA VAL A 70 -7.698 19.329 -17.125 1.00 0.00 C ATOM 1074 C VAL A 70 -8.851 20.315 -16.979 1.00 0.00 C ATOM 1075 O VAL A 70 -9.782 20.087 -16.208 1.00 0.00 O ATOM 1076 CB VAL A 70 -8.258 17.964 -17.569 1.00 0.00 C ATOM 1077 CG1 VAL A 70 -9.085 18.113 -18.837 1.00 0.00 C ATOM 1078 CG2 VAL A 70 -7.127 16.967 -17.775 1.00 0.00 C ATOM 0 H VAL A 70 -7.510 18.993 -15.064 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.006 19.695 -17.883 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.909 17.584 -16.782 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.472 17.139 -19.135 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -9.917 18.793 -18.651 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.460 18.515 -19.634 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.540 16.008 -18.088 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.450 17.339 -18.544 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.580 16.839 -16.841 1.00 0.00 H new ATOM 1088 N ASN A 71 -8.782 21.412 -17.725 1.00 0.00 N ATOM 1089 CA ASN A 71 -9.821 22.435 -17.679 1.00 0.00 C ATOM 1090 C ASN A 71 -10.289 22.799 -19.085 1.00 0.00 C ATOM 1091 O ASN A 71 -9.508 23.282 -19.904 1.00 0.00 O ATOM 1092 CB ASN A 71 -9.304 23.684 -16.962 1.00 0.00 C ATOM 1093 CG ASN A 71 -9.084 23.450 -15.480 1.00 0.00 C ATOM 1094 OD1 ASN A 71 -9.420 22.391 -14.950 1.00 0.00 O ATOM 1095 ND2 ASN A 71 -8.517 24.442 -14.802 1.00 0.00 N ATOM 0 H ASN A 71 -8.018 21.616 -18.369 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.669 22.032 -17.126 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.367 24.001 -17.420 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.016 24.498 -17.097 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -8.344 24.343 -13.802 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -8.254 25.303 -15.282 1.00 0.00 H new ATOM 1102 N ALA A 72 -11.568 22.564 -19.356 1.00 0.00 N ATOM 1103 CA ALA A 72 -12.142 22.869 -20.661 1.00 0.00 C ATOM 1104 C ALA A 72 -12.328 24.372 -20.840 1.00 0.00 C ATOM 1105 O ALA A 72 -11.837 24.957 -21.806 1.00 0.00 O ATOM 1106 CB ALA A 72 -13.468 22.146 -20.837 1.00 0.00 C ATOM 0 H ALA A 72 -12.227 22.163 -18.689 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.448 22.521 -21.426 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.885 22.383 -21.816 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.309 21.070 -20.761 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.162 22.465 -20.060 1.00 0.00 H new ATOM 1112 N ASP A 73 -13.041 24.990 -19.906 1.00 0.00 N ATOM 1113 CA ASP A 73 -13.292 26.426 -19.961 1.00 0.00 C ATOM 1114 C ASP A 73 -11.982 27.205 -20.008 1.00 0.00 C ATOM 1115 O ASP A 73 -11.789 28.065 -20.869 1.00 0.00 O ATOM 1116 CB ASP A 73 -14.119 26.867 -18.752 1.00 0.00 C ATOM 1117 CG ASP A 73 -15.007 28.057 -19.061 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -15.766 27.989 -20.050 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -14.942 29.056 -18.314 1.00 0.00 O ATOM 0 H ASP A 73 -13.456 24.520 -19.101 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.852 26.638 -20.872 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.736 26.035 -18.415 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.449 27.121 -17.930 1.00 0.00 H new ATOM 1124 N LYS A 74 -11.084 26.901 -19.078 1.00 0.00 N ATOM 1125 CA LYS A 74 -9.791 27.572 -19.012 1.00 0.00 C ATOM 1126 C LYS A 74 -8.866 27.079 -20.120 1.00 0.00 C ATOM 1127 O LYS A 74 -7.899 27.751 -20.481 1.00 0.00 O ATOM 1128 CB LYS A 74 -9.140 27.338 -17.647 1.00 0.00 C ATOM 1129 CG LYS A 74 -9.800 28.111 -16.518 1.00 0.00 C ATOM 1130 CD LYS A 74 -9.409 29.579 -16.544 1.00 0.00 C ATOM 1131 CE LYS A 74 -10.395 30.433 -15.763 1.00 0.00 C ATOM 1132 NZ LYS A 74 -10.320 31.867 -16.156 1.00 0.00 N ATOM 0 H LYS A 74 -11.228 26.193 -18.358 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.957 28.641 -19.149 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.174 26.273 -17.415 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.088 27.619 -17.702 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.883 28.021 -16.599 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.514 27.674 -15.561 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.410 29.698 -16.123 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.364 29.926 -17.576 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.407 30.063 -15.929 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.192 30.338 -14.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.008 32.415 -15.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.362 32.227 -15.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.538 31.961 -17.168 1.00 0.00 H new ATOM 1146 N LYS A 75 -9.169 25.902 -20.658 1.00 0.00 N ATOM 1147 CA LYS A 75 -8.366 25.319 -21.726 1.00 0.00 C ATOM 1148 C LYS A 75 -6.936 25.070 -21.259 1.00 0.00 C ATOM 1149 O LYS A 75 -5.984 25.614 -21.821 1.00 0.00 O ATOM 1150 CB LYS A 75 -8.361 26.241 -22.948 1.00 0.00 C ATOM 1151 CG LYS A 75 -9.751 26.614 -23.435 1.00 0.00 C ATOM 1152 CD LYS A 75 -10.376 25.495 -24.250 1.00 0.00 C ATOM 1153 CE LYS A 75 -11.780 25.857 -24.709 1.00 0.00 C ATOM 1154 NZ LYS A 75 -12.202 25.053 -25.889 1.00 0.00 N ATOM 0 H LYS A 75 -9.966 25.333 -20.371 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.811 24.363 -22.000 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.815 27.152 -22.703 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.820 25.753 -23.759 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.388 26.842 -22.580 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.695 27.518 -24.041 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.752 25.283 -25.118 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.411 24.584 -23.652 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.482 25.697 -23.891 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.818 26.917 -24.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.164 25.329 -26.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.547 25.225 -26.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.190 24.043 -25.643 1.00 0.00 H new ATOM 1168 N LEU A 76 -6.791 24.244 -20.229 1.00 0.00 N ATOM 1169 CA LEU A 76 -5.476 23.920 -19.686 1.00 0.00 C ATOM 1170 C LEU A 76 -5.318 22.415 -19.501 1.00 0.00 C ATOM 1171 O LEU A 76 -6.160 21.764 -18.882 1.00 0.00 O ATOM 1172 CB LEU A 76 -5.264 24.635 -18.350 1.00 0.00 C ATOM 1173 CG LEU A 76 -5.777 26.073 -18.269 1.00 0.00 C ATOM 1174 CD1 LEU A 76 -5.698 26.589 -16.841 1.00 0.00 C ATOM 1175 CD2 LEU A 76 -4.989 26.975 -19.209 1.00 0.00 C ATOM 0 H LEU A 76 -7.568 23.786 -19.753 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.723 24.260 -20.397 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.751 24.052 -17.568 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.197 24.638 -18.128 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.822 26.083 -18.579 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.067 27.614 -16.803 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.307 25.960 -16.192 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.662 26.564 -16.502 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.368 27.994 -19.138 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.935 26.959 -18.930 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.099 26.618 -20.233 1.00 0.00 H new ATOM 1187 N MET A 77 -4.234 21.868 -20.040 1.00 0.00 N ATOM 1188 CA MET A 77 -3.964 20.439 -19.931 1.00 0.00 C ATOM 1189 C MET A 77 -2.539 20.189 -19.447 1.00 0.00 C ATOM 1190 O MET A 77 -1.573 20.549 -20.120 1.00 0.00 O ATOM 1191 CB MET A 77 -4.185 19.752 -21.280 1.00 0.00 C ATOM 1192 CG MET A 77 -5.651 19.571 -21.638 1.00 0.00 C ATOM 1193 SD MET A 77 -6.329 20.985 -22.527 1.00 0.00 S ATOM 1194 CE MET A 77 -8.067 20.840 -22.119 1.00 0.00 C ATOM 0 H MET A 77 -3.528 22.392 -20.557 1.00 0.00 H new ATOM 0 HA MET A 77 -4.655 20.019 -19.200 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.699 20.337 -22.060 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.700 18.776 -21.265 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.764 18.675 -22.248 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.226 19.410 -20.726 1.00 0.00 H new ATOM 0 HE1 MET A 77 -8.622 21.647 -22.597 1.00 0.00 H new ATOM 0 HE2 MET A 77 -8.445 19.881 -22.473 1.00 0.00 H new ATOM 0 HE3 MET A 77 -8.194 20.903 -21.038 1.00 0.00 H new ATOM 1204 N SER A 78 -2.416 19.572 -18.276 1.00 0.00 N ATOM 1205 CA SER A 78 -1.108 19.279 -17.701 1.00 0.00 C ATOM 1206 C SER A 78 -1.109 17.914 -17.019 1.00 0.00 C ATOM 1207 O SER A 78 -1.958 17.630 -16.174 1.00 0.00 O ATOM 1208 CB SER A 78 -0.715 20.364 -16.697 1.00 0.00 C ATOM 1209 OG SER A 78 -0.841 21.655 -17.266 1.00 0.00 O ATOM 0 H SER A 78 -3.205 19.266 -17.707 1.00 0.00 H new ATOM 0 HA SER A 78 -0.377 19.261 -18.510 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.346 20.290 -15.811 1.00 0.00 H new ATOM 0 HB3 SER A 78 0.313 20.206 -16.370 1.00 0.00 H new ATOM 0 HG SER A 78 -0.585 22.331 -16.604 1.00 0.00 H new ATOM 1215 N VAL A 79 -0.150 17.073 -17.392 1.00 0.00 N ATOM 1216 CA VAL A 79 -0.038 15.738 -16.816 1.00 0.00 C ATOM 1217 C VAL A 79 1.314 15.543 -16.139 1.00 0.00 C ATOM 1218 O VAL A 79 2.362 15.682 -16.770 1.00 0.00 O ATOM 1219 CB VAL A 79 -0.225 14.647 -17.888 1.00 0.00 C ATOM 1220 CG1 VAL A 79 -1.659 14.635 -18.393 1.00 0.00 C ATOM 1221 CG2 VAL A 79 0.752 14.855 -19.035 1.00 0.00 C ATOM 0 H VAL A 79 0.560 17.292 -18.090 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.830 15.647 -16.073 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.017 13.677 -17.435 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.772 13.858 -19.149 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.336 14.434 -17.562 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.899 15.604 -18.830 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.606 14.076 -19.783 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.578 15.831 -19.489 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.773 14.808 -18.656 1.00 0.00 H new ATOM 1231 N SER A 80 1.283 15.221 -14.850 1.00 0.00 N ATOM 1232 CA SER A 80 2.506 15.010 -14.085 1.00 0.00 C ATOM 1233 C SER A 80 2.383 13.780 -13.191 1.00 0.00 C ATOM 1234 O SER A 80 1.834 13.850 -12.091 1.00 0.00 O ATOM 1235 CB SER A 80 2.820 16.243 -13.235 1.00 0.00 C ATOM 1236 OG SER A 80 4.096 16.133 -12.628 1.00 0.00 O ATOM 0 H SER A 80 0.424 15.101 -14.313 1.00 0.00 H new ATOM 0 HA SER A 80 3.322 14.845 -14.789 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.786 17.136 -13.858 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.057 16.362 -12.466 1.00 0.00 H new ATOM 0 HG SER A 80 4.273 16.934 -12.092 1.00 0.00 H new ATOM 1242 N PHE A 81 2.898 12.653 -13.671 1.00 0.00 N ATOM 1243 CA PHE A 81 2.845 11.406 -12.917 1.00 0.00 C ATOM 1244 C PHE A 81 4.142 10.618 -13.078 1.00 0.00 C ATOM 1245 O PHE A 81 4.835 10.741 -14.088 1.00 0.00 O ATOM 1246 CB PHE A 81 1.659 10.557 -13.378 1.00 0.00 C ATOM 1247 CG PHE A 81 1.728 10.165 -14.826 1.00 0.00 C ATOM 1248 CD1 PHE A 81 1.433 11.084 -15.820 1.00 0.00 C ATOM 1249 CD2 PHE A 81 2.089 8.879 -15.193 1.00 0.00 C ATOM 1250 CE1 PHE A 81 1.495 10.726 -17.154 1.00 0.00 C ATOM 1251 CE2 PHE A 81 2.153 8.515 -16.525 1.00 0.00 C ATOM 1252 CZ PHE A 81 1.857 9.441 -17.507 1.00 0.00 C ATOM 0 H PHE A 81 3.357 12.578 -14.579 1.00 0.00 H new ATOM 0 HA PHE A 81 2.718 11.653 -11.863 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.609 9.655 -12.768 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.737 11.111 -13.204 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.152 12.091 -15.550 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.323 8.152 -14.429 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.260 11.451 -17.919 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.434 7.508 -16.798 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.909 9.160 -18.549 1.00 0.00 H new ATOM 1262 N SER A 82 4.464 9.809 -12.074 1.00 0.00 N ATOM 1263 CA SER A 82 5.680 9.003 -12.101 1.00 0.00 C ATOM 1264 C SER A 82 5.354 7.522 -11.933 1.00 0.00 C ATOM 1265 O SER A 82 4.187 7.134 -11.880 1.00 0.00 O ATOM 1266 CB SER A 82 6.640 9.454 -10.999 1.00 0.00 C ATOM 1267 OG SER A 82 7.964 9.029 -11.271 1.00 0.00 O ATOM 0 H SER A 82 3.900 9.694 -11.232 1.00 0.00 H new ATOM 0 HA SER A 82 6.159 9.144 -13.070 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.614 10.540 -10.912 1.00 0.00 H new ATOM 0 HB3 SER A 82 6.314 9.049 -10.041 1.00 0.00 H new ATOM 0 HG SER A 82 8.559 9.331 -10.553 1.00 0.00 H new ATOM 1273 N ASP A 83 6.394 6.700 -11.850 1.00 0.00 N ATOM 1274 CA ASP A 83 6.220 5.262 -11.686 1.00 0.00 C ATOM 1275 C ASP A 83 5.494 4.662 -12.887 1.00 0.00 C ATOM 1276 O ASP A 83 4.410 4.096 -12.749 1.00 0.00 O ATOM 1277 CB ASP A 83 5.444 4.963 -10.403 1.00 0.00 C ATOM 1278 CG ASP A 83 5.922 5.794 -9.229 1.00 0.00 C ATOM 1279 OD1 ASP A 83 5.603 7.001 -9.187 1.00 0.00 O ATOM 1280 OD2 ASP A 83 6.616 5.238 -8.353 1.00 0.00 O ATOM 0 H ASP A 83 7.366 7.005 -11.894 1.00 0.00 H new ATOM 0 HA ASP A 83 7.208 4.807 -11.617 1.00 0.00 H new ATOM 0 HB2 ASP A 83 4.384 5.153 -10.571 1.00 0.00 H new ATOM 0 HB3 ASP A 83 5.544 3.905 -10.160 1.00 0.00 H new ATOM 1285 N ILE A 84 6.099 4.791 -14.063 1.00 0.00 N ATOM 1286 CA ILE A 84 5.510 4.262 -15.286 1.00 0.00 C ATOM 1287 C ILE A 84 6.584 3.721 -16.224 1.00 0.00 C ATOM 1288 O ILE A 84 7.777 3.808 -15.934 1.00 0.00 O ATOM 1289 CB ILE A 84 4.691 5.336 -16.027 1.00 0.00 C ATOM 1290 CG1 ILE A 84 5.519 6.612 -16.198 1.00 0.00 C ATOM 1291 CG2 ILE A 84 3.402 5.631 -15.275 1.00 0.00 C ATOM 1292 CD1 ILE A 84 5.094 7.453 -17.381 1.00 0.00 C ATOM 0 H ILE A 84 6.997 5.257 -14.194 1.00 0.00 H new ATOM 0 HA ILE A 84 4.846 3.450 -14.991 1.00 0.00 H new ATOM 0 HB ILE A 84 4.433 4.958 -17.016 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.441 7.210 -15.290 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.569 6.342 -16.313 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.834 6.392 -15.811 1.00 0.00 H new ATOM 0 HG22 ILE A 84 2.808 4.720 -15.200 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.639 5.993 -14.275 1.00 0.00 H new ATOM 0 HD11 ILE A 84 5.723 8.341 -17.441 1.00 0.00 H new ATOM 0 HD12 ILE A 84 5.198 6.872 -18.297 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.053 7.754 -17.259 1.00 0.00 H new ATOM 1304 N ASP A 85 6.152 3.165 -17.351 1.00 0.00 N ATOM 1305 CA ASP A 85 7.077 2.613 -18.334 1.00 0.00 C ATOM 1306 C ASP A 85 7.450 3.661 -19.378 1.00 0.00 C ATOM 1307 O ASP A 85 6.762 4.669 -19.532 1.00 0.00 O ATOM 1308 CB ASP A 85 6.458 1.392 -19.017 1.00 0.00 C ATOM 1309 CG ASP A 85 5.656 0.536 -18.057 1.00 0.00 C ATOM 1310 OD1 ASP A 85 6.263 -0.309 -17.367 1.00 0.00 O ATOM 1311 OD2 ASP A 85 4.421 0.709 -17.997 1.00 0.00 O ATOM 0 H ASP A 85 5.168 3.085 -17.606 1.00 0.00 H new ATOM 0 HA ASP A 85 7.984 2.308 -17.812 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.812 1.723 -19.830 1.00 0.00 H new ATOM 0 HB3 ASP A 85 7.249 0.789 -19.463 1.00 0.00 H new ATOM 1316 N GLU A 86 8.545 3.415 -20.090 1.00 0.00 N ATOM 1317 CA GLU A 86 9.011 4.339 -21.118 1.00 0.00 C ATOM 1318 C GLU A 86 8.140 4.246 -22.367 1.00 0.00 C ATOM 1319 O GLU A 86 7.809 5.259 -22.983 1.00 0.00 O ATOM 1320 CB GLU A 86 10.469 4.046 -21.476 1.00 0.00 C ATOM 1321 CG GLU A 86 10.700 2.631 -21.979 1.00 0.00 C ATOM 1322 CD GLU A 86 12.166 2.330 -22.225 1.00 0.00 C ATOM 1323 OE1 GLU A 86 12.660 2.654 -23.325 1.00 0.00 O ATOM 1324 OE2 GLU A 86 12.818 1.772 -21.318 1.00 0.00 O ATOM 0 H GLU A 86 9.126 2.585 -19.974 1.00 0.00 H new ATOM 0 HA GLU A 86 8.939 5.351 -20.720 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.796 4.752 -22.240 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.091 4.216 -20.597 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.305 1.922 -21.252 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.143 2.483 -22.904 1.00 0.00 H new ATOM 1331 N ASN A 87 7.773 3.023 -22.737 1.00 0.00 N ATOM 1332 CA ASN A 87 6.942 2.797 -23.913 1.00 0.00 C ATOM 1333 C ASN A 87 5.551 3.393 -23.719 1.00 0.00 C ATOM 1334 O ASN A 87 4.876 3.748 -24.686 1.00 0.00 O ATOM 1335 CB ASN A 87 6.831 1.300 -24.205 1.00 0.00 C ATOM 1336 CG ASN A 87 8.094 0.737 -24.828 1.00 0.00 C ATOM 1337 OD1 ASN A 87 8.867 0.040 -24.171 1.00 0.00 O ATOM 1338 ND2 ASN A 87 8.309 1.038 -26.104 1.00 0.00 N ATOM 0 H ASN A 87 8.038 2.173 -22.239 1.00 0.00 H new ATOM 0 HA ASN A 87 7.415 3.292 -24.761 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.617 0.767 -23.279 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.989 1.125 -24.875 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.142 0.688 -26.577 1.00 0.00 H new ATOM 0 HD22 ASN A 87 7.641 1.619 -26.610 1.00 0.00 H new ATOM 1345 N MET A 88 5.129 3.501 -22.464 1.00 0.00 N ATOM 1346 CA MET A 88 3.819 4.055 -22.143 1.00 0.00 C ATOM 1347 C MET A 88 3.786 5.558 -22.404 1.00 0.00 C ATOM 1348 O MET A 88 2.733 6.126 -22.694 1.00 0.00 O ATOM 1349 CB MET A 88 3.465 3.772 -20.682 1.00 0.00 C ATOM 1350 CG MET A 88 1.993 3.461 -20.462 1.00 0.00 C ATOM 1351 SD MET A 88 1.611 1.714 -20.687 1.00 0.00 S ATOM 1352 CE MET A 88 1.140 1.690 -22.415 1.00 0.00 C ATOM 0 H MET A 88 5.675 3.212 -21.652 1.00 0.00 H new ATOM 0 HA MET A 88 3.082 3.575 -22.787 1.00 0.00 H new ATOM 0 HB2 MET A 88 4.062 2.932 -20.328 1.00 0.00 H new ATOM 0 HB3 MET A 88 3.740 4.636 -20.076 1.00 0.00 H new ATOM 0 HG2 MET A 88 1.708 3.764 -19.455 1.00 0.00 H new ATOM 0 HG3 MET A 88 1.393 4.052 -21.154 1.00 0.00 H new ATOM 0 HE1 MET A 88 0.126 1.301 -22.510 1.00 0.00 H new ATOM 0 HE2 MET A 88 1.180 2.702 -22.817 1.00 0.00 H new ATOM 0 HE3 MET A 88 1.827 1.052 -22.971 1.00 0.00 H new ATOM 1362 N LYS A 89 4.946 6.198 -22.298 1.00 0.00 N ATOM 1363 CA LYS A 89 5.051 7.634 -22.523 1.00 0.00 C ATOM 1364 C LYS A 89 4.632 7.995 -23.944 1.00 0.00 C ATOM 1365 O LYS A 89 4.199 9.116 -24.210 1.00 0.00 O ATOM 1366 CB LYS A 89 6.484 8.108 -22.266 1.00 0.00 C ATOM 1367 CG LYS A 89 6.871 8.108 -20.797 1.00 0.00 C ATOM 1368 CD LYS A 89 6.518 9.426 -20.128 1.00 0.00 C ATOM 1369 CE LYS A 89 7.652 10.433 -20.249 1.00 0.00 C ATOM 1370 NZ LYS A 89 7.617 11.154 -21.551 1.00 0.00 N ATOM 0 H LYS A 89 5.827 5.744 -22.057 1.00 0.00 H new ATOM 0 HA LYS A 89 4.378 8.135 -21.827 1.00 0.00 H new ATOM 0 HB2 LYS A 89 7.174 7.467 -22.815 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.601 9.116 -22.664 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.362 7.291 -20.286 1.00 0.00 H new ATOM 0 HG3 LYS A 89 7.941 7.926 -20.702 1.00 0.00 H new ATOM 0 HD2 LYS A 89 5.616 9.836 -20.582 1.00 0.00 H new ATOM 0 HD3 LYS A 89 6.294 9.253 -19.075 1.00 0.00 H new ATOM 0 HE2 LYS A 89 7.587 11.153 -19.433 1.00 0.00 H new ATOM 0 HE3 LYS A 89 8.607 9.919 -20.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 8.075 12.082 -21.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 8.123 10.598 -22.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.629 11.287 -21.848 1.00 0.00 H new ATOM 1384 N LYS A 90 4.763 7.037 -24.856 1.00 0.00 N ATOM 1385 CA LYS A 90 4.396 7.251 -26.250 1.00 0.00 C ATOM 1386 C LYS A 90 2.895 7.484 -26.388 1.00 0.00 C ATOM 1387 O LYS A 90 2.462 8.500 -26.933 1.00 0.00 O ATOM 1388 CB LYS A 90 4.816 6.050 -27.100 1.00 0.00 C ATOM 1389 CG LYS A 90 6.252 6.123 -27.588 1.00 0.00 C ATOM 1390 CD LYS A 90 7.229 5.671 -26.516 1.00 0.00 C ATOM 1391 CE LYS A 90 8.621 5.447 -27.088 1.00 0.00 C ATOM 1392 NZ LYS A 90 9.447 4.572 -26.211 1.00 0.00 N ATOM 0 H LYS A 90 5.121 6.104 -24.654 1.00 0.00 H new ATOM 0 HA LYS A 90 4.918 8.140 -26.604 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.685 5.139 -26.516 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.152 5.975 -27.961 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.368 5.499 -28.474 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.485 7.145 -27.886 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.276 6.420 -25.726 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.869 4.749 -26.060 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.539 4.996 -28.077 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.120 6.408 -27.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.413 4.512 -26.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.477 4.971 -25.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.029 3.620 -26.177 1.00 0.00 H new ATOM 1406 N VAL A 91 2.105 6.539 -25.889 1.00 0.00 N ATOM 1407 CA VAL A 91 0.652 6.643 -25.954 1.00 0.00 C ATOM 1408 C VAL A 91 0.143 7.775 -25.069 1.00 0.00 C ATOM 1409 O VAL A 91 -0.821 8.460 -25.415 1.00 0.00 O ATOM 1410 CB VAL A 91 -0.024 5.327 -25.525 1.00 0.00 C ATOM 1411 CG1 VAL A 91 0.423 4.927 -24.127 1.00 0.00 C ATOM 1412 CG2 VAL A 91 -1.538 5.461 -25.592 1.00 0.00 C ATOM 0 H VAL A 91 2.447 5.692 -25.435 1.00 0.00 H new ATOM 0 HA VAL A 91 0.395 6.853 -26.992 1.00 0.00 H new ATOM 0 HB VAL A 91 0.280 4.540 -26.216 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.065 3.995 -23.842 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.504 4.788 -24.116 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.151 5.711 -23.420 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.000 4.523 -25.286 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.862 6.260 -24.925 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.838 5.697 -26.613 1.00 0.00 H new ATOM 1422 N ILE A 92 0.795 7.967 -23.928 1.00 0.00 N ATOM 1423 CA ILE A 92 0.409 9.017 -22.995 1.00 0.00 C ATOM 1424 C ILE A 92 0.679 10.399 -23.580 1.00 0.00 C ATOM 1425 O ILE A 92 -0.178 11.282 -23.539 1.00 0.00 O ATOM 1426 CB ILE A 92 1.157 8.884 -21.655 1.00 0.00 C ATOM 1427 CG1 ILE A 92 0.848 7.534 -21.005 1.00 0.00 C ATOM 1428 CG2 ILE A 92 0.781 10.026 -20.722 1.00 0.00 C ATOM 1429 CD1 ILE A 92 1.932 7.052 -20.067 1.00 0.00 C ATOM 0 H ILE A 92 1.594 7.408 -23.627 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.660 8.903 -22.817 1.00 0.00 H new ATOM 0 HB ILE A 92 2.229 8.936 -21.848 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.090 7.611 -20.454 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.698 6.789 -21.787 1.00 0.00 H new ATOM 0 HG21 ILE A 92 1.318 9.918 -19.780 1.00 0.00 H new ATOM 0 HG22 ILE A 92 1.048 10.976 -21.184 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.292 10.003 -20.533 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.645 6.090 -19.643 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.867 6.942 -20.617 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.067 7.776 -19.264 1.00 0.00 H new ATOM 1441 N LYS A 93 1.876 10.580 -24.127 1.00 0.00 N ATOM 1442 CA LYS A 93 2.261 11.853 -24.725 1.00 0.00 C ATOM 1443 C LYS A 93 1.396 12.166 -25.942 1.00 0.00 C ATOM 1444 O LYS A 93 0.944 13.296 -26.120 1.00 0.00 O ATOM 1445 CB LYS A 93 3.737 11.826 -25.128 1.00 0.00 C ATOM 1446 CG LYS A 93 4.250 13.158 -25.646 1.00 0.00 C ATOM 1447 CD LYS A 93 5.692 13.056 -26.114 1.00 0.00 C ATOM 1448 CE LYS A 93 6.667 13.295 -24.971 1.00 0.00 C ATOM 1449 NZ LYS A 93 6.906 14.747 -24.741 1.00 0.00 N ATOM 0 H LYS A 93 2.597 9.860 -24.169 1.00 0.00 H new ATOM 0 HA LYS A 93 2.109 12.636 -23.982 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.335 11.526 -24.267 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.881 11.067 -25.897 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.622 13.495 -26.471 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.174 13.909 -24.860 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.867 12.070 -26.543 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.871 13.784 -26.905 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.276 12.842 -24.060 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.614 12.802 -25.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.576 14.868 -23.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.302 15.174 -25.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.007 15.214 -24.505 1.00 0.00 H new ATOM 1463 N ALA A 94 1.169 11.156 -26.776 1.00 0.00 N ATOM 1464 CA ALA A 94 0.356 11.323 -27.974 1.00 0.00 C ATOM 1465 C ALA A 94 -1.069 11.734 -27.618 1.00 0.00 C ATOM 1466 O ALA A 94 -1.604 12.698 -28.166 1.00 0.00 O ATOM 1467 CB ALA A 94 0.348 10.039 -28.790 1.00 0.00 C ATOM 0 H ALA A 94 1.537 10.214 -26.644 1.00 0.00 H new ATOM 0 HA ALA A 94 0.797 12.119 -28.574 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.263 10.178 -29.682 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.367 9.788 -29.084 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.066 9.229 -28.190 1.00 0.00 H new ATOM 1473 N THR A 95 -1.680 10.996 -26.696 1.00 0.00 N ATOM 1474 CA THR A 95 -3.043 11.282 -26.267 1.00 0.00 C ATOM 1475 C THR A 95 -3.134 12.651 -25.602 1.00 0.00 C ATOM 1476 O THR A 95 -4.116 13.372 -25.776 1.00 0.00 O ATOM 1477 CB THR A 95 -3.560 10.212 -25.288 1.00 0.00 C ATOM 1478 OG1 THR A 95 -3.542 8.925 -25.914 1.00 0.00 O ATOM 1479 CG2 THR A 95 -4.973 10.538 -24.828 1.00 0.00 C ATOM 0 H THR A 95 -1.252 10.195 -26.232 1.00 0.00 H new ATOM 0 HA THR A 95 -3.665 11.274 -27.162 1.00 0.00 H new ATOM 0 HB THR A 95 -2.904 10.201 -24.417 1.00 0.00 H new ATOM 0 HG1 THR A 95 -2.639 8.547 -25.860 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.317 9.768 -24.137 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.978 11.505 -24.326 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.637 10.574 -25.691 1.00 0.00 H new ATOM 1487 N ALA A 96 -2.104 13.003 -24.840 1.00 0.00 N ATOM 1488 CA ALA A 96 -2.067 14.287 -24.151 1.00 0.00 C ATOM 1489 C ALA A 96 -1.832 15.430 -25.132 1.00 0.00 C ATOM 1490 O ALA A 96 -2.312 16.545 -24.926 1.00 0.00 O ATOM 1491 CB ALA A 96 -0.988 14.280 -23.078 1.00 0.00 C ATOM 0 H ALA A 96 -1.284 12.417 -24.684 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.035 14.444 -23.676 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -0.972 15.245 -22.572 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.200 13.494 -22.354 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.018 14.096 -23.539 1.00 0.00 H new ATOM 1497 N GLU A 97 -1.091 15.146 -26.198 1.00 0.00 N ATOM 1498 CA GLU A 97 -0.792 16.153 -27.210 1.00 0.00 C ATOM 1499 C GLU A 97 -2.011 16.422 -28.087 1.00 0.00 C ATOM 1500 O GLU A 97 -2.260 17.557 -28.494 1.00 0.00 O ATOM 1501 CB GLU A 97 0.384 15.701 -28.078 1.00 0.00 C ATOM 1502 CG GLU A 97 1.130 16.849 -28.738 1.00 0.00 C ATOM 1503 CD GLU A 97 1.725 16.465 -30.078 1.00 0.00 C ATOM 1504 OE1 GLU A 97 2.720 15.710 -30.091 1.00 0.00 O ATOM 1505 OE2 GLU A 97 1.197 16.919 -31.115 1.00 0.00 O ATOM 0 H GLU A 97 -0.687 14.228 -26.383 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.523 17.077 -26.698 1.00 0.00 H new ATOM 0 HB2 GLU A 97 1.081 15.132 -27.463 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.016 15.026 -28.851 1.00 0.00 H new ATOM 0 HG2 GLU A 97 0.449 17.689 -28.875 1.00 0.00 H new ATOM 0 HG3 GLU A 97 1.926 17.189 -28.075 1.00 0.00 H new ATOM 1512 N LYS A 98 -2.769 15.369 -28.375 1.00 0.00 N ATOM 1513 CA LYS A 98 -3.964 15.489 -29.203 1.00 0.00 C ATOM 1514 C LYS A 98 -4.904 16.556 -28.650 1.00 0.00 C ATOM 1515 O LYS A 98 -5.656 17.182 -29.397 1.00 0.00 O ATOM 1516 CB LYS A 98 -4.691 14.145 -29.283 1.00 0.00 C ATOM 1517 CG LYS A 98 -3.940 13.093 -30.080 1.00 0.00 C ATOM 1518 CD LYS A 98 -4.321 13.130 -31.551 1.00 0.00 C ATOM 1519 CE LYS A 98 -3.618 12.035 -32.337 1.00 0.00 C ATOM 1520 NZ LYS A 98 -4.403 10.770 -32.350 1.00 0.00 N ATOM 0 H LYS A 98 -2.577 14.422 -28.047 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.654 15.787 -30.204 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.859 13.772 -28.273 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.672 14.298 -29.733 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.867 13.255 -29.977 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -4.154 12.105 -29.673 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.400 13.015 -31.651 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.063 14.103 -31.970 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.454 12.371 -33.361 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.636 11.849 -31.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.890 10.049 -32.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -4.538 10.435 -31.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -5.330 10.941 -32.789 1.00 0.00 H new ATOM 1534 N PHE A 99 -4.854 16.759 -27.338 1.00 0.00 N ATOM 1535 CA PHE A 99 -5.701 17.751 -26.686 1.00 0.00 C ATOM 1536 C PHE A 99 -5.470 19.138 -27.278 1.00 0.00 C ATOM 1537 O PHE A 99 -6.335 20.011 -27.202 1.00 0.00 O ATOM 1538 CB PHE A 99 -5.428 17.775 -25.180 1.00 0.00 C ATOM 1539 CG PHE A 99 -6.290 16.825 -24.399 1.00 0.00 C ATOM 1540 CD1 PHE A 99 -5.896 15.511 -24.206 1.00 0.00 C ATOM 1541 CD2 PHE A 99 -7.493 17.247 -23.857 1.00 0.00 C ATOM 1542 CE1 PHE A 99 -6.688 14.634 -23.489 1.00 0.00 C ATOM 1543 CE2 PHE A 99 -8.289 16.375 -23.138 1.00 0.00 C ATOM 1544 CZ PHE A 99 -7.885 15.067 -22.953 1.00 0.00 C ATOM 0 H PHE A 99 -4.236 16.250 -26.705 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.741 17.472 -26.856 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.380 17.530 -25.005 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.586 18.787 -24.806 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.960 15.168 -24.620 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -7.813 18.269 -23.998 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.371 13.611 -23.348 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -9.225 16.716 -22.722 1.00 0.00 H new ATOM 0 HZ PHE A 99 -8.504 14.384 -22.390 1.00 0.00 H new ATOM 1554 N LYS A 100 -4.296 19.334 -27.869 1.00 0.00 N ATOM 1555 CA LYS A 100 -3.948 20.614 -28.476 1.00 0.00 C ATOM 1556 C LYS A 100 -5.050 21.085 -29.420 1.00 0.00 C ATOM 1557 O LYS A 100 -5.266 22.284 -29.588 1.00 0.00 O ATOM 1558 CB LYS A 100 -2.625 20.498 -29.236 1.00 0.00 C ATOM 1559 CG LYS A 100 -1.416 20.334 -28.331 1.00 0.00 C ATOM 1560 CD LYS A 100 -0.795 21.675 -27.981 1.00 0.00 C ATOM 1561 CE LYS A 100 0.051 22.213 -29.125 1.00 0.00 C ATOM 1562 NZ LYS A 100 1.475 21.796 -29.005 1.00 0.00 N ATOM 0 H LYS A 100 -3.569 18.622 -27.941 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.838 21.349 -27.679 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -2.679 19.646 -29.914 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.490 21.388 -29.851 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -1.712 19.820 -27.417 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.674 19.706 -28.824 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.582 22.390 -27.741 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -0.178 21.570 -27.089 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.353 21.858 -30.073 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.009 23.301 -29.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.018 22.183 -29.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.868 22.156 -28.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.535 20.758 -29.016 1.00 0.00 H new ATOM 1576 N ASN A 101 -5.744 20.132 -30.034 1.00 0.00 N ATOM 1577 CA ASN A 101 -6.824 20.450 -30.962 1.00 0.00 C ATOM 1578 C ASN A 101 -7.834 21.394 -30.316 1.00 0.00 C ATOM 1579 O ASN A 101 -8.358 22.300 -30.966 1.00 0.00 O ATOM 1580 CB ASN A 101 -7.525 19.170 -31.419 1.00 0.00 C ATOM 1581 CG ASN A 101 -6.787 18.478 -32.549 1.00 0.00 C ATOM 1582 OD1 ASN A 101 -6.884 18.882 -33.708 1.00 0.00 O ATOM 1583 ND2 ASN A 101 -6.044 17.430 -32.215 1.00 0.00 N ATOM 0 H ASN A 101 -5.578 19.134 -29.906 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.391 20.948 -31.829 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.614 18.486 -30.575 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -8.538 19.410 -31.743 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.524 16.924 -32.932 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -5.993 17.130 -31.241 1.00 0.00 H new ATOM 1590 N LYS A 102 -8.104 21.176 -29.034 1.00 0.00 N ATOM 1591 CA LYS A 102 -9.049 22.007 -28.298 1.00 0.00 C ATOM 1592 C LYS A 102 -8.418 22.549 -27.019 1.00 0.00 C ATOM 1593 O LYS A 102 -9.115 22.850 -26.051 1.00 0.00 O ATOM 1594 CB LYS A 102 -10.308 21.205 -27.958 1.00 0.00 C ATOM 1595 CG LYS A 102 -11.021 20.647 -29.178 1.00 0.00 C ATOM 1596 CD LYS A 102 -12.158 21.553 -29.622 1.00 0.00 C ATOM 1597 CE LYS A 102 -11.718 22.494 -30.733 1.00 0.00 C ATOM 1598 NZ LYS A 102 -11.910 21.889 -32.080 1.00 0.00 N ATOM 0 H LYS A 102 -7.681 20.430 -28.482 1.00 0.00 H new ATOM 0 HA LYS A 102 -9.322 22.850 -28.932 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -10.037 20.381 -27.298 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.997 21.843 -27.405 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -10.309 20.529 -29.995 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -11.412 19.655 -28.950 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.995 20.946 -29.968 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -12.515 22.134 -28.772 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -12.285 23.423 -30.668 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.668 22.751 -30.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -11.599 22.561 -32.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.350 21.016 -32.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -12.916 21.667 -32.221 1.00 0.00 H new ATOM 1612 N GLY A 103 -7.094 22.670 -27.024 1.00 0.00 N ATOM 1613 CA GLY A 103 -6.392 23.176 -25.859 1.00 0.00 C ATOM 1614 C GLY A 103 -4.905 23.342 -26.105 1.00 0.00 C ATOM 1615 O GLY A 103 -4.106 22.490 -25.717 1.00 0.00 O ATOM 0 H GLY A 103 -6.495 22.427 -27.813 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -6.819 24.136 -25.570 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.545 22.495 -25.022 1.00 0.00 H new ATOM 1619 N PHE A 104 -4.533 24.441 -26.753 1.00 0.00 N ATOM 1620 CA PHE A 104 -3.132 24.714 -27.053 1.00 0.00 C ATOM 1621 C PHE A 104 -2.274 24.596 -25.797 1.00 0.00 C ATOM 1622 O PHE A 104 -1.098 24.238 -25.865 1.00 0.00 O ATOM 1623 CB PHE A 104 -2.981 26.112 -27.657 1.00 0.00 C ATOM 1624 CG PHE A 104 -3.221 26.153 -29.139 1.00 0.00 C ATOM 1625 CD1 PHE A 104 -4.373 25.607 -29.683 1.00 0.00 C ATOM 1626 CD2 PHE A 104 -2.296 26.738 -29.988 1.00 0.00 C ATOM 1627 CE1 PHE A 104 -4.595 25.643 -31.047 1.00 0.00 C ATOM 1628 CE2 PHE A 104 -2.513 26.777 -31.353 1.00 0.00 C ATOM 1629 CZ PHE A 104 -3.665 26.230 -31.883 1.00 0.00 C ATOM 0 H PHE A 104 -5.182 25.157 -27.080 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.790 23.974 -27.776 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -3.679 26.789 -27.165 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -1.977 26.483 -27.449 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -5.105 25.149 -29.034 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -1.394 27.169 -29.579 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -5.496 25.212 -31.459 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -1.783 27.235 -32.004 1.00 0.00 H new ATOM 0 HZ PHE A 104 -3.838 26.261 -32.949 1.00 0.00 H new ATOM 1639 N LYS A 105 -2.871 24.899 -24.649 1.00 0.00 N ATOM 1640 CA LYS A 105 -2.164 24.827 -23.376 1.00 0.00 C ATOM 1641 C LYS A 105 -1.987 23.378 -22.933 1.00 0.00 C ATOM 1642 O LYS A 105 -2.788 22.851 -22.161 1.00 0.00 O ATOM 1643 CB LYS A 105 -2.923 25.610 -22.302 1.00 0.00 C ATOM 1644 CG LYS A 105 -2.077 25.954 -21.089 1.00 0.00 C ATOM 1645 CD LYS A 105 -1.019 26.992 -21.423 1.00 0.00 C ATOM 1646 CE LYS A 105 -0.078 27.227 -20.251 1.00 0.00 C ATOM 1647 NZ LYS A 105 1.265 27.684 -20.701 1.00 0.00 N ATOM 0 H LYS A 105 -3.844 25.197 -24.574 1.00 0.00 H new ATOM 0 HA LYS A 105 -1.178 25.271 -23.512 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.308 26.531 -22.739 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -3.785 25.026 -21.980 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -2.718 26.330 -20.292 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -1.596 25.051 -20.712 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -0.446 26.663 -22.290 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.502 27.930 -21.697 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -0.510 27.972 -19.582 1.00 0.00 H new ATOM 0 HE3 LYS A 105 0.025 26.306 -19.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 1.876 27.833 -19.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 1.688 26.962 -21.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 1.170 28.577 -21.226 1.00 0.00 H new ATOM 1661 N VAL A 106 -0.931 22.738 -23.426 1.00 0.00 N ATOM 1662 CA VAL A 106 -0.647 21.351 -23.079 1.00 0.00 C ATOM 1663 C VAL A 106 0.738 21.212 -22.458 1.00 0.00 C ATOM 1664 O VAL A 106 1.695 21.845 -22.904 1.00 0.00 O ATOM 1665 CB VAL A 106 -0.739 20.433 -24.313 1.00 0.00 C ATOM 1666 CG1 VAL A 106 -0.407 18.997 -23.938 1.00 0.00 C ATOM 1667 CG2 VAL A 106 -2.121 20.523 -24.942 1.00 0.00 C ATOM 0 H VAL A 106 -0.258 23.158 -24.067 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.400 21.047 -22.352 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.008 20.768 -25.048 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -0.478 18.364 -24.823 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.606 18.950 -23.538 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -1.111 18.646 -23.184 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -2.168 19.868 -25.812 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -2.872 20.215 -24.215 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.314 21.550 -25.250 1.00 0.00 H new ATOM 1677 N GLU A 107 0.838 20.378 -21.428 1.00 0.00 N ATOM 1678 CA GLU A 107 2.107 20.156 -20.745 1.00 0.00 C ATOM 1679 C GLU A 107 2.212 18.719 -20.244 1.00 0.00 C ATOM 1680 O GLU A 107 1.263 18.175 -19.678 1.00 0.00 O ATOM 1681 CB GLU A 107 2.259 21.129 -19.573 1.00 0.00 C ATOM 1682 CG GLU A 107 2.673 22.529 -19.994 1.00 0.00 C ATOM 1683 CD GLU A 107 4.085 22.578 -20.546 1.00 0.00 C ATOM 1684 OE1 GLU A 107 4.263 22.282 -21.747 1.00 0.00 O ATOM 1685 OE2 GLU A 107 5.011 22.912 -19.778 1.00 0.00 O ATOM 0 H GLU A 107 0.056 19.845 -21.048 1.00 0.00 H new ATOM 0 HA GLU A 107 2.910 20.332 -21.461 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.313 21.186 -19.034 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.999 20.734 -18.877 1.00 0.00 H new ATOM 0 HG2 GLU A 107 1.979 22.898 -20.749 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.598 23.199 -19.138 1.00 0.00 H new ATOM 1692 N THR A 108 3.373 18.107 -20.457 1.00 0.00 N ATOM 1693 CA THR A 108 3.602 16.733 -20.030 1.00 0.00 C ATOM 1694 C THR A 108 4.953 16.591 -19.337 1.00 0.00 C ATOM 1695 O THR A 108 5.996 16.871 -19.927 1.00 0.00 O ATOM 1696 CB THR A 108 3.544 15.757 -21.220 1.00 0.00 C ATOM 1697 OG1 THR A 108 4.510 16.131 -22.208 1.00 0.00 O ATOM 1698 CG2 THR A 108 2.155 15.744 -21.841 1.00 0.00 C ATOM 0 H THR A 108 4.169 18.542 -20.923 1.00 0.00 H new ATOM 0 HA THR A 108 2.807 16.484 -19.327 1.00 0.00 H new ATOM 0 HB THR A 108 3.770 14.756 -20.852 1.00 0.00 H new ATOM 0 HG1 THR A 108 5.305 16.495 -21.766 1.00 0.00 H new ATOM 0 HG21 THR A 108 2.138 15.048 -22.679 1.00 0.00 H new ATOM 0 HG22 THR A 108 1.425 15.431 -21.094 1.00 0.00 H new ATOM 0 HG23 THR A 108 1.905 16.744 -22.195 1.00 0.00 H new ATOM 1706 N ASP A 109 4.926 16.153 -18.083 1.00 0.00 N ATOM 1707 CA ASP A 109 6.150 15.971 -17.310 1.00 0.00 C ATOM 1708 C ASP A 109 6.975 14.814 -17.863 1.00 0.00 C ATOM 1709 O ASP A 109 6.434 13.768 -18.222 1.00 0.00 O ATOM 1710 CB ASP A 109 5.816 15.719 -15.839 1.00 0.00 C ATOM 1711 CG ASP A 109 7.057 15.596 -14.977 1.00 0.00 C ATOM 1712 OD1 ASP A 109 7.598 16.642 -14.562 1.00 0.00 O ATOM 1713 OD2 ASP A 109 7.487 14.453 -14.717 1.00 0.00 O ATOM 0 H ASP A 109 4.071 15.917 -17.580 1.00 0.00 H new ATOM 0 HA ASP A 109 6.740 16.884 -17.389 1.00 0.00 H new ATOM 0 HB2 ASP A 109 5.197 16.534 -15.465 1.00 0.00 H new ATOM 0 HB3 ASP A 109 5.226 14.806 -15.754 1.00 0.00 H new ATOM 1718 N MET A 110 8.288 15.009 -17.930 1.00 0.00 N ATOM 1719 CA MET A 110 9.188 13.980 -18.439 1.00 0.00 C ATOM 1720 C MET A 110 9.193 12.760 -17.523 1.00 0.00 C ATOM 1721 O MET A 110 9.412 12.878 -16.317 1.00 0.00 O ATOM 1722 CB MET A 110 10.607 14.536 -18.576 1.00 0.00 C ATOM 1723 CG MET A 110 11.605 13.528 -19.121 1.00 0.00 C ATOM 1724 SD MET A 110 13.131 14.300 -19.693 1.00 0.00 S ATOM 1725 CE MET A 110 13.790 13.009 -20.744 1.00 0.00 C ATOM 0 H MET A 110 8.752 15.869 -17.639 1.00 0.00 H new ATOM 0 HA MET A 110 8.830 13.673 -19.421 1.00 0.00 H new ATOM 0 HB2 MET A 110 10.586 15.405 -19.233 1.00 0.00 H new ATOM 0 HB3 MET A 110 10.949 14.882 -17.600 1.00 0.00 H new ATOM 0 HG2 MET A 110 11.840 12.799 -18.345 1.00 0.00 H new ATOM 0 HG3 MET A 110 11.149 12.980 -19.945 1.00 0.00 H new ATOM 0 HE1 MET A 110 14.737 13.337 -21.173 1.00 0.00 H new ATOM 0 HE2 MET A 110 13.953 12.107 -20.154 1.00 0.00 H new ATOM 0 HE3 MET A 110 13.083 12.796 -21.545 1.00 0.00 H new TER 1735 MET A 110