USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 776 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 73 LYS NZ :NH3+ 159:sc= 0.0663 (180deg=0) USER MOD Set 1.2: A 74 SER OG : rot -48:sc= 0.688 USER MOD Set 2.1: A 44 TYR OH : rot 180:sc= -0.0894 USER MOD Set 2.2: A 46 ASN : amide:sc= -0.0939 K(o=-0.46,f=1.7) USER MOD Set 2.3: A 47 ASN : amide:sc= -0.275 K(o=-0.46,f=1.7) USER MOD Single : A 1 GLN : amide:sc= -0.0611 K(o=-0.061,f=-0.63) USER MOD Single : A 1 GLN N :NH3+ 135:sc= 0.00604 (180deg=-0.0886) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.24 X(o=-0.24,f=-0.017) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.079 USER MOD Single : A 30 HIS : no HD1:sc= -0.105 X(o=-0.11,f=-0.012) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 64:sc= 0.449 USER MOD Single : A 34 THR OG1 : rot 80:sc= 0.805 USER MOD Single : A 38 GLN : amide:sc= -0.156 X(o=-0.16,f=-0.015) USER MOD Single : A 43 HIS : no HD1:sc= -0.794 X(o=-0.79,f=-0.51) USER MOD Single : A 45 MET CE :methyl -153:sc= -0.0675 (180deg=-0.695) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0056 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0.618 K(o=0.62,f=-0.031) USER MOD Single : A 56 GLN : amide:sc= -1.13 K(o=-1.1,f=-3.7!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 150:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0.0293 USER MOD Single : A 71 SER OG : rot 180:sc= -0.0343 USER MOD Single : A 72 MET CE :methyl -101:sc= -0.717 (180deg=-2.64) USER MOD Single : A 81 SER OG : rot 180:sc= 0.0619 USER MOD Single : A 82 GLN : amide:sc= 0.0782 X(o=0.078,f=0.0095) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 89 HIS : no HD1:sc= -0.152 X(o=-0.15,f=-0.031) USER MOD Single : A 90 HIS : no HD1:sc= -0.407 X(o=-0.41,f=-0.19) USER MOD Single : A 91 HIS : no HD1:sc= -0.201 X(o=-0.2,f=-0.29) USER MOD Single : A 92 HIS : no HD1:sc=-0.000965 X(o=-0.00097,f=-0.28) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=-0.0022) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 8.491 -19.966 2.096 1.00 0.00 N ATOM 2 CA GLN A 1 7.322 -19.540 2.915 1.00 0.00 C ATOM 3 C GLN A 1 6.270 -18.837 2.058 1.00 0.00 C ATOM 4 O GLN A 1 6.603 -18.080 1.145 1.00 0.00 O ATOM 5 CB GLN A 1 7.811 -18.609 4.034 1.00 0.00 C ATOM 6 CG GLN A 1 8.385 -17.286 3.534 1.00 0.00 C ATOM 7 CD GLN A 1 7.590 -16.080 4.001 1.00 0.00 C ATOM 8 OE1 GLN A 1 6.372 -16.146 4.161 1.00 0.00 O ATOM 9 NE2 GLN A 1 8.280 -14.964 4.219 1.00 0.00 N ATOM 0 H1 GLN A 1 9.371 -19.721 2.593 1.00 0.00 H new ATOM 0 H2 GLN A 1 8.453 -20.994 1.945 1.00 0.00 H new ATOM 0 H3 GLN A 1 8.466 -19.480 1.177 1.00 0.00 H new ATOM 0 HA GLN A 1 6.852 -20.423 3.347 1.00 0.00 H new ATOM 0 HB2 GLN A 1 6.980 -18.401 4.709 1.00 0.00 H new ATOM 0 HB3 GLN A 1 8.573 -19.127 4.617 1.00 0.00 H new ATOM 0 HG2 GLN A 1 9.415 -17.190 3.877 1.00 0.00 H new ATOM 0 HG3 GLN A 1 8.412 -17.297 2.444 1.00 0.00 H new ATOM 0 HE21 GLN A 1 9.290 -14.952 4.074 1.00 0.00 H new ATOM 0 HE22 GLN A 1 7.800 -14.120 4.531 1.00 0.00 H new ATOM 18 N SER A 2 4.998 -19.095 2.359 1.00 0.00 N ATOM 19 CA SER A 2 3.894 -18.489 1.619 1.00 0.00 C ATOM 20 C SER A 2 3.110 -17.524 2.511 1.00 0.00 C ATOM 21 O SER A 2 3.437 -17.353 3.688 1.00 0.00 O ATOM 22 CB SER A 2 2.966 -19.578 1.072 1.00 0.00 C ATOM 23 OG SER A 2 2.286 -20.250 2.119 1.00 0.00 O ATOM 0 H SER A 2 4.707 -19.720 3.111 1.00 0.00 H new ATOM 0 HA SER A 2 4.307 -17.924 0.783 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.240 -19.132 0.392 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.547 -20.296 0.493 1.00 0.00 H new ATOM 0 HG SER A 2 1.700 -20.938 1.740 1.00 0.00 H new ATOM 29 N ASP A 3 2.076 -16.895 1.940 1.00 0.00 N ATOM 30 CA ASP A 3 1.240 -15.942 2.672 1.00 0.00 C ATOM 31 C ASP A 3 2.050 -14.722 3.106 1.00 0.00 C ATOM 32 O ASP A 3 2.698 -14.731 4.154 1.00 0.00 O ATOM 33 CB ASP A 3 0.590 -16.611 3.890 1.00 0.00 C ATOM 34 CG ASP A 3 -0.618 -15.845 4.393 1.00 0.00 C ATOM 35 OD1 ASP A 3 -1.552 -15.614 3.593 1.00 0.00 O ATOM 36 OD2 ASP A 3 -0.631 -15.475 5.584 1.00 0.00 O ATOM 0 H ASP A 3 1.799 -17.031 0.968 1.00 0.00 H new ATOM 0 HA ASP A 3 0.451 -15.606 1.999 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.290 -17.625 3.627 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.324 -16.693 4.691 1.00 0.00 H new ATOM 41 N VAL A 4 2.005 -13.678 2.287 1.00 0.00 N ATOM 42 CA VAL A 4 2.729 -12.446 2.569 1.00 0.00 C ATOM 43 C VAL A 4 1.961 -11.574 3.560 1.00 0.00 C ATOM 44 O VAL A 4 0.797 -11.240 3.332 1.00 0.00 O ATOM 45 CB VAL A 4 2.993 -11.634 1.280 1.00 0.00 C ATOM 46 CG1 VAL A 4 3.940 -10.478 1.564 1.00 0.00 C ATOM 47 CG2 VAL A 4 3.554 -12.531 0.184 1.00 0.00 C ATOM 0 H VAL A 4 1.471 -13.661 1.418 1.00 0.00 H new ATOM 0 HA VAL A 4 3.685 -12.735 3.005 1.00 0.00 H new ATOM 0 HB VAL A 4 2.045 -11.225 0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.115 -9.917 0.646 1.00 0.00 H new ATOM 0 HG12 VAL A 4 3.497 -9.820 2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.887 -10.867 1.938 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.733 -11.940 -0.714 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.492 -12.973 0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 4 2.839 -13.323 -0.039 1.00 0.00 H new ATOM 57 N ARG A 5 2.622 -11.207 4.657 1.00 0.00 N ATOM 58 CA ARG A 5 2.007 -10.368 5.682 1.00 0.00 C ATOM 59 C ARG A 5 2.436 -8.914 5.514 1.00 0.00 C ATOM 60 O ARG A 5 3.617 -8.586 5.657 1.00 0.00 O ATOM 61 CB ARG A 5 2.384 -10.865 7.080 1.00 0.00 C ATOM 62 CG ARG A 5 1.300 -10.636 8.121 1.00 0.00 C ATOM 63 CD ARG A 5 1.892 -10.219 9.461 1.00 0.00 C ATOM 64 NE ARG A 5 1.765 -11.270 10.469 1.00 0.00 N ATOM 65 CZ ARG A 5 2.583 -12.322 10.567 1.00 0.00 C ATOM 66 NH1 ARG A 5 3.597 -12.476 9.715 1.00 0.00 N ATOM 67 NH2 ARG A 5 2.389 -13.226 11.521 1.00 0.00 N ATOM 0 H ARG A 5 3.584 -11.478 4.858 1.00 0.00 H new ATOM 0 HA ARG A 5 0.925 -10.430 5.567 1.00 0.00 H new ATOM 0 HB2 ARG A 5 2.608 -11.931 7.029 1.00 0.00 H new ATOM 0 HB3 ARG A 5 3.296 -10.362 7.401 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.614 -9.865 7.770 1.00 0.00 H new ATOM 0 HG3 ARG A 5 0.717 -11.548 8.248 1.00 0.00 H new ATOM 0 HD2 ARG A 5 2.945 -9.969 9.330 1.00 0.00 H new ATOM 0 HD3 ARG A 5 1.391 -9.317 9.813 1.00 0.00 H new ATOM 0 HE ARG A 5 1.002 -11.195 11.142 1.00 0.00 H new ATOM 0 HH11 ARG A 5 3.754 -11.787 8.979 1.00 0.00 H new ATOM 0 HH12 ARG A 5 4.215 -13.283 9.799 1.00 0.00 H new ATOM 0 HH21 ARG A 5 1.616 -13.117 12.178 1.00 0.00 H new ATOM 0 HH22 ARG A 5 3.013 -14.029 11.597 1.00 0.00 H new ATOM 81 N ILE A 6 1.475 -8.046 5.207 1.00 0.00 N ATOM 82 CA ILE A 6 1.756 -6.625 5.016 1.00 0.00 C ATOM 83 C ILE A 6 1.169 -5.792 6.153 1.00 0.00 C ATOM 84 O ILE A 6 0.016 -5.982 6.545 1.00 0.00 O ATOM 85 CB ILE A 6 1.193 -6.109 3.668 1.00 0.00 C ATOM 86 CG1 ILE A 6 1.617 -7.030 2.517 1.00 0.00 C ATOM 87 CG2 ILE A 6 1.656 -4.682 3.403 1.00 0.00 C ATOM 88 CD1 ILE A 6 0.723 -8.238 2.342 1.00 0.00 C ATOM 0 H ILE A 6 0.495 -8.301 5.085 1.00 0.00 H new ATOM 0 HA ILE A 6 2.841 -6.517 5.010 1.00 0.00 H new ATOM 0 HB ILE A 6 0.105 -6.113 3.731 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.624 -6.457 1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.639 -7.368 2.691 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.250 -4.338 2.452 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.305 -4.031 4.204 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.745 -4.654 3.364 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.086 -8.841 1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.734 -8.834 3.254 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.296 -7.910 2.135 1.00 0.00 H new ATOM 100 N LYS A 7 1.972 -4.866 6.675 1.00 0.00 N ATOM 101 CA LYS A 7 1.539 -3.995 7.763 1.00 0.00 C ATOM 102 C LYS A 7 1.145 -2.621 7.229 1.00 0.00 C ATOM 103 O LYS A 7 1.984 -1.881 6.710 1.00 0.00 O ATOM 104 CB LYS A 7 2.648 -3.853 8.811 1.00 0.00 C ATOM 105 CG LYS A 7 2.168 -4.071 10.238 1.00 0.00 C ATOM 106 CD LYS A 7 2.519 -5.464 10.739 1.00 0.00 C ATOM 107 CE LYS A 7 2.938 -5.445 12.203 1.00 0.00 C ATOM 108 NZ LYS A 7 4.123 -6.312 12.457 1.00 0.00 N ATOM 0 H LYS A 7 2.928 -4.701 6.360 1.00 0.00 H new ATOM 0 HA LYS A 7 0.667 -4.448 8.234 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.440 -4.569 8.589 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.086 -2.858 8.732 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.618 -3.324 10.892 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.089 -3.928 10.286 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.660 -6.123 10.615 1.00 0.00 H new ATOM 0 HD3 LYS A 7 3.327 -5.876 10.134 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.167 -4.422 12.501 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.106 -5.779 12.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.374 -6.270 13.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.897 -7.293 12.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.926 -5.979 11.886 1.00 0.00 H new ATOM 122 N PHE A 8 -0.138 -2.287 7.362 1.00 0.00 N ATOM 123 CA PHE A 8 -0.653 -1.003 6.898 1.00 0.00 C ATOM 124 C PHE A 8 -0.868 -0.050 8.071 1.00 0.00 C ATOM 125 O PHE A 8 -1.543 -0.394 9.043 1.00 0.00 O ATOM 126 CB PHE A 8 -1.969 -1.201 6.138 1.00 0.00 C ATOM 127 CG PHE A 8 -1.808 -1.935 4.834 1.00 0.00 C ATOM 128 CD1 PHE A 8 -1.074 -1.381 3.797 1.00 0.00 C ATOM 129 CD2 PHE A 8 -2.391 -3.176 4.647 1.00 0.00 C ATOM 130 CE1 PHE A 8 -0.928 -2.051 2.598 1.00 0.00 C ATOM 131 CE2 PHE A 8 -2.249 -3.852 3.450 1.00 0.00 C ATOM 132 CZ PHE A 8 -1.516 -3.288 2.425 1.00 0.00 C ATOM 0 H PHE A 8 -0.840 -2.891 7.789 1.00 0.00 H new ATOM 0 HA PHE A 8 0.084 -0.564 6.225 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.665 -1.751 6.771 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.417 -0.226 5.944 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -0.611 -0.414 3.928 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -2.964 -3.622 5.446 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -0.355 -1.608 1.797 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.710 -4.819 3.317 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.403 -3.814 1.489 1.00 0.00 H new ATOM 142 N GLU A 9 -0.292 1.148 7.972 1.00 0.00 N ATOM 143 CA GLU A 9 -0.420 2.150 9.025 1.00 0.00 C ATOM 144 C GLU A 9 -1.075 3.421 8.491 1.00 0.00 C ATOM 145 O GLU A 9 -0.597 4.017 7.522 1.00 0.00 O ATOM 146 CB GLU A 9 0.952 2.480 9.624 1.00 0.00 C ATOM 147 CG GLU A 9 0.910 2.758 11.122 1.00 0.00 C ATOM 148 CD GLU A 9 2.145 3.481 11.638 1.00 0.00 C ATOM 149 OE1 GLU A 9 2.732 4.286 10.882 1.00 0.00 O ATOM 150 OE2 GLU A 9 2.522 3.242 12.805 1.00 0.00 O ATOM 0 H GLU A 9 0.267 1.446 7.173 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.056 1.735 9.807 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.631 1.649 9.436 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.363 3.350 9.112 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.027 3.356 11.348 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.801 1.814 11.656 1.00 0.00 H new ATOM 157 N HIS A 10 -2.171 3.826 9.128 1.00 0.00 N ATOM 158 CA HIS A 10 -2.899 5.025 8.725 1.00 0.00 C ATOM 159 C HIS A 10 -3.356 5.811 9.950 1.00 0.00 C ATOM 160 O HIS A 10 -4.157 5.319 10.747 1.00 0.00 O ATOM 161 CB HIS A 10 -4.104 4.648 7.863 1.00 0.00 C ATOM 162 CG HIS A 10 -4.670 5.795 7.086 1.00 0.00 C ATOM 163 ND1 HIS A 10 -6.001 5.884 6.744 1.00 0.00 N ATOM 164 CD2 HIS A 10 -4.078 6.904 6.579 1.00 0.00 C ATOM 165 CE1 HIS A 10 -6.205 6.996 6.061 1.00 0.00 C ATOM 166 NE2 HIS A 10 -5.054 7.633 5.948 1.00 0.00 N ATOM 0 H HIS A 10 -2.575 3.339 9.928 1.00 0.00 H new ATOM 0 HA HIS A 10 -2.229 5.654 8.139 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.811 3.860 7.169 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -4.883 4.235 8.504 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.033 7.165 6.657 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -7.152 7.328 5.663 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -4.913 8.523 5.469 1.00 0.00 H new ATOM 175 N ASN A 11 -2.835 7.031 10.095 1.00 0.00 N ATOM 176 CA ASN A 11 -3.179 7.894 11.227 1.00 0.00 C ATOM 177 C ASN A 11 -2.821 7.227 12.561 1.00 0.00 C ATOM 178 O ASN A 11 -3.490 7.442 13.574 1.00 0.00 O ATOM 179 CB ASN A 11 -4.672 8.244 11.193 1.00 0.00 C ATOM 180 CG ASN A 11 -4.932 9.696 11.550 1.00 0.00 C ATOM 181 OD1 ASN A 11 -4.641 10.134 12.663 1.00 0.00 O ATOM 182 ND2 ASN A 11 -5.478 10.455 10.605 1.00 0.00 N ATOM 0 H ASN A 11 -2.171 7.445 9.440 1.00 0.00 H new ATOM 0 HA ASN A 11 -2.597 8.812 11.141 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -5.068 8.040 10.198 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -5.210 7.599 11.888 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -5.671 11.439 10.790 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -5.704 10.053 9.695 1.00 0.00 H new ATOM 189 N GLY A 12 -1.760 6.411 12.556 1.00 0.00 N ATOM 190 CA GLY A 12 -1.339 5.723 13.768 1.00 0.00 C ATOM 191 C GLY A 12 -1.933 4.324 13.892 1.00 0.00 C ATOM 192 O GLY A 12 -1.325 3.441 14.503 1.00 0.00 O ATOM 0 H GLY A 12 -1.188 6.217 11.734 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.251 5.653 13.781 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.631 6.315 14.636 1.00 0.00 H new ATOM 196 N GLU A 13 -3.121 4.122 13.311 1.00 0.00 N ATOM 197 CA GLU A 13 -3.801 2.828 13.357 1.00 0.00 C ATOM 198 C GLU A 13 -3.007 1.762 12.602 1.00 0.00 C ATOM 199 O GLU A 13 -2.485 2.016 11.514 1.00 0.00 O ATOM 200 CB GLU A 13 -5.209 2.946 12.762 1.00 0.00 C ATOM 201 CG GLU A 13 -6.252 2.102 13.483 1.00 0.00 C ATOM 202 CD GLU A 13 -7.682 2.527 13.185 1.00 0.00 C ATOM 203 OE1 GLU A 13 -7.912 3.729 12.935 1.00 0.00 O ATOM 204 OE2 GLU A 13 -8.574 1.651 13.205 1.00 0.00 O ATOM 0 H GLU A 13 -3.631 4.844 12.802 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.876 2.526 14.402 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -5.519 3.991 12.789 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.177 2.650 11.714 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.124 1.058 13.198 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.079 2.163 14.557 1.00 0.00 H new ATOM 211 N ARG A 14 -2.920 0.570 13.191 1.00 0.00 N ATOM 212 CA ARG A 14 -2.191 -0.541 12.585 1.00 0.00 C ATOM 213 C ARG A 14 -3.150 -1.635 12.116 1.00 0.00 C ATOM 214 O ARG A 14 -4.088 -1.999 12.830 1.00 0.00 O ATOM 215 CB ARG A 14 -1.183 -1.122 13.581 1.00 0.00 C ATOM 216 CG ARG A 14 0.040 -0.244 13.789 1.00 0.00 C ATOM 217 CD ARG A 14 0.409 -0.139 15.260 1.00 0.00 C ATOM 218 NE ARG A 14 0.782 1.224 15.641 1.00 0.00 N ATOM 219 CZ ARG A 14 1.440 1.537 16.761 1.00 0.00 C ATOM 220 NH1 ARG A 14 1.792 0.590 17.628 1.00 0.00 N ATOM 221 NH2 ARG A 14 1.744 2.805 17.017 1.00 0.00 N ATOM 0 H ARG A 14 -3.347 0.350 14.091 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.655 -0.158 11.717 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.678 -1.274 14.540 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.861 -2.102 13.230 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.882 -0.653 13.230 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.154 0.752 13.390 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.434 -0.467 15.868 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.238 -0.814 15.474 1.00 0.00 H new ATOM 0 HE ARG A 14 0.523 1.984 15.011 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.560 -0.385 17.440 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.294 0.840 18.480 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.475 3.537 16.359 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.246 3.047 17.871 1.00 0.00 H new ATOM 235 N ARG A 15 -2.908 -2.153 10.913 1.00 0.00 N ATOM 236 CA ARG A 15 -3.748 -3.204 10.343 1.00 0.00 C ATOM 237 C ARG A 15 -2.898 -4.366 9.832 1.00 0.00 C ATOM 238 O ARG A 15 -1.865 -4.157 9.191 1.00 0.00 O ATOM 239 CB ARG A 15 -4.606 -2.643 9.203 1.00 0.00 C ATOM 240 CG ARG A 15 -5.249 -1.297 9.515 1.00 0.00 C ATOM 241 CD ARG A 15 -6.724 -1.285 9.151 1.00 0.00 C ATOM 242 NE ARG A 15 -7.578 -1.579 10.304 1.00 0.00 N ATOM 243 CZ ARG A 15 -8.878 -1.277 10.367 1.00 0.00 C ATOM 244 NH1 ARG A 15 -9.486 -0.680 9.343 1.00 0.00 N ATOM 245 NH2 ARG A 15 -9.574 -1.576 11.459 1.00 0.00 N ATOM 0 H ARG A 15 -2.136 -1.861 10.314 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.403 -3.576 11.131 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.986 -2.540 8.312 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.390 -3.362 8.964 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -5.133 -1.075 10.576 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.732 -0.510 8.966 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.989 -0.309 8.744 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.909 -2.019 8.367 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.155 -2.043 11.108 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.959 -0.449 8.501 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -10.479 -0.454 9.401 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -9.116 -2.035 12.246 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -10.567 -1.347 11.510 1.00 0.00 H new ATOM 259 N ILE A 16 -3.340 -5.590 10.123 1.00 0.00 N ATOM 260 CA ILE A 16 -2.626 -6.792 9.698 1.00 0.00 C ATOM 261 C ILE A 16 -3.455 -7.591 8.692 1.00 0.00 C ATOM 262 O ILE A 16 -4.546 -8.066 9.016 1.00 0.00 O ATOM 263 CB ILE A 16 -2.279 -7.700 10.903 1.00 0.00 C ATOM 264 CG1 ILE A 16 -1.648 -6.880 12.034 1.00 0.00 C ATOM 265 CG2 ILE A 16 -1.345 -8.825 10.474 1.00 0.00 C ATOM 266 CD1 ILE A 16 -2.635 -6.467 13.106 1.00 0.00 C ATOM 0 H ILE A 16 -4.192 -5.774 10.653 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.700 -6.463 9.226 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.203 -8.142 11.275 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.849 -7.463 12.492 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.188 -5.987 11.611 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.112 -9.453 11.334 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.830 -9.427 9.706 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.424 -8.401 10.075 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.119 -5.890 13.873 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.421 -5.857 12.661 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.077 -7.356 13.556 1.00 0.00 H new ATOM 278 N ILE A 17 -2.936 -7.733 7.472 1.00 0.00 N ATOM 279 CA ILE A 17 -3.629 -8.475 6.420 1.00 0.00 C ATOM 280 C ILE A 17 -2.692 -9.467 5.732 1.00 0.00 C ATOM 281 O ILE A 17 -1.542 -9.144 5.430 1.00 0.00 O ATOM 282 CB ILE A 17 -4.232 -7.528 5.354 1.00 0.00 C ATOM 283 CG1 ILE A 17 -5.044 -6.412 6.020 1.00 0.00 C ATOM 284 CG2 ILE A 17 -5.104 -8.311 4.378 1.00 0.00 C ATOM 285 CD1 ILE A 17 -5.261 -5.205 5.130 1.00 0.00 C ATOM 0 H ILE A 17 -2.037 -7.343 7.188 1.00 0.00 H new ATOM 0 HA ILE A 17 -4.438 -9.020 6.906 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.413 -7.072 4.798 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.013 -6.810 6.321 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -4.533 -6.095 6.929 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.520 -7.630 3.635 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.501 -9.069 3.878 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -5.915 -8.794 4.922 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.843 -4.456 5.668 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.297 -4.782 4.849 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.800 -5.507 4.232 1.00 0.00 H new ATOM 297 N ALA A 18 -3.198 -10.677 5.487 1.00 0.00 N ATOM 298 CA ALA A 18 -2.420 -11.724 4.833 1.00 0.00 C ATOM 299 C ALA A 18 -2.805 -11.856 3.360 1.00 0.00 C ATOM 300 O ALA A 18 -3.990 -11.907 3.023 1.00 0.00 O ATOM 301 CB ALA A 18 -2.615 -13.051 5.554 1.00 0.00 C ATOM 0 H ALA A 18 -4.148 -10.954 5.734 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.367 -11.447 4.882 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.030 -13.825 5.057 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.285 -12.955 6.588 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.670 -13.325 5.533 1.00 0.00 H new ATOM 307 N PHE A 19 -1.797 -11.910 2.488 1.00 0.00 N ATOM 308 CA PHE A 19 -2.025 -12.034 1.050 1.00 0.00 C ATOM 309 C PHE A 19 -1.281 -13.242 0.480 1.00 0.00 C ATOM 310 O PHE A 19 -0.072 -13.383 0.666 1.00 0.00 O ATOM 311 CB PHE A 19 -1.577 -10.760 0.329 1.00 0.00 C ATOM 312 CG PHE A 19 -2.622 -9.679 0.312 1.00 0.00 C ATOM 313 CD1 PHE A 19 -3.624 -9.679 -0.646 1.00 0.00 C ATOM 314 CD2 PHE A 19 -2.604 -8.663 1.254 1.00 0.00 C ATOM 315 CE1 PHE A 19 -4.586 -8.690 -0.663 1.00 0.00 C ATOM 316 CE2 PHE A 19 -3.564 -7.670 1.243 1.00 0.00 C ATOM 317 CZ PHE A 19 -4.557 -7.683 0.281 1.00 0.00 C ATOM 0 H PHE A 19 -0.813 -11.870 2.755 1.00 0.00 H new ATOM 0 HA PHE A 19 -3.093 -12.179 0.890 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.678 -10.377 0.811 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.307 -11.009 -0.697 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.652 -10.463 -1.388 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.829 -8.647 2.006 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.361 -8.704 -1.415 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.539 -6.885 1.984 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.308 -6.907 0.268 1.00 0.00 H new ATOM 327 N SER A 20 -2.014 -14.110 -0.218 1.00 0.00 N ATOM 328 CA SER A 20 -1.428 -15.310 -0.820 1.00 0.00 C ATOM 329 C SER A 20 -0.569 -14.961 -2.035 1.00 0.00 C ATOM 330 O SER A 20 -0.788 -13.941 -2.692 1.00 0.00 O ATOM 331 CB SER A 20 -2.532 -16.288 -1.230 1.00 0.00 C ATOM 332 OG SER A 20 -3.330 -16.657 -0.117 1.00 0.00 O ATOM 0 H SER A 20 -3.015 -14.005 -0.381 1.00 0.00 H new ATOM 0 HA SER A 20 -0.787 -15.778 -0.073 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.160 -15.832 -1.995 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.086 -17.179 -1.673 1.00 0.00 H new ATOM 0 HG SER A 20 -4.028 -17.281 -0.407 1.00 0.00 H new ATOM 338 N ARG A 21 0.408 -15.818 -2.331 1.00 0.00 N ATOM 339 CA ARG A 21 1.300 -15.607 -3.470 1.00 0.00 C ATOM 340 C ARG A 21 0.812 -16.371 -4.703 1.00 0.00 C ATOM 341 O ARG A 21 0.235 -17.452 -4.581 1.00 0.00 O ATOM 342 CB ARG A 21 2.725 -16.042 -3.120 1.00 0.00 C ATOM 343 CG ARG A 21 3.580 -14.921 -2.550 1.00 0.00 C ATOM 344 CD ARG A 21 5.043 -15.325 -2.463 1.00 0.00 C ATOM 345 NE ARG A 21 5.771 -14.534 -1.471 1.00 0.00 N ATOM 346 CZ ARG A 21 6.938 -14.895 -0.931 1.00 0.00 C ATOM 347 NH1 ARG A 21 7.528 -16.031 -1.293 1.00 0.00 N ATOM 348 NH2 ARG A 21 7.518 -14.113 -0.028 1.00 0.00 N ATOM 0 H ARG A 21 0.602 -16.665 -1.797 1.00 0.00 H new ATOM 0 HA ARG A 21 1.298 -14.542 -3.702 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.680 -16.857 -2.398 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.206 -16.436 -4.015 1.00 0.00 H new ATOM 0 HG2 ARG A 21 3.483 -14.034 -3.176 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.216 -14.653 -1.558 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.113 -16.382 -2.206 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.512 -15.203 -3.439 1.00 0.00 H new ATOM 0 HE ARG A 21 5.361 -13.649 -1.172 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.089 -16.635 -1.988 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.419 -16.298 -0.875 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.072 -13.239 0.252 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.409 -14.386 0.386 1.00 0.00 H new ATOM 362 N PRO A 22 1.040 -15.816 -5.911 1.00 0.00 N ATOM 363 CA PRO A 22 1.724 -14.531 -6.091 1.00 0.00 C ATOM 364 C PRO A 22 0.812 -13.338 -5.805 1.00 0.00 C ATOM 365 O PRO A 22 -0.257 -13.204 -6.404 1.00 0.00 O ATOM 366 CB PRO A 22 2.124 -14.556 -7.567 1.00 0.00 C ATOM 367 CG PRO A 22 1.080 -15.390 -8.224 1.00 0.00 C ATOM 368 CD PRO A 22 0.642 -16.411 -7.204 1.00 0.00 C ATOM 0 HA PRO A 22 2.563 -14.414 -5.405 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.151 -13.551 -7.988 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.117 -14.985 -7.702 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.238 -14.776 -8.544 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.477 -15.877 -9.115 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.433 -16.585 -7.249 1.00 0.00 H new ATOM 0 HD3 PRO A 22 1.128 -17.373 -7.368 1.00 0.00 H new ATOM 376 N VAL A 23 1.240 -12.473 -4.886 1.00 0.00 N ATOM 377 CA VAL A 23 0.459 -11.294 -4.521 1.00 0.00 C ATOM 378 C VAL A 23 0.429 -10.279 -5.668 1.00 0.00 C ATOM 379 O VAL A 23 1.474 -9.884 -6.189 1.00 0.00 O ATOM 380 CB VAL A 23 1.005 -10.621 -3.238 1.00 0.00 C ATOM 381 CG1 VAL A 23 2.432 -10.128 -3.441 1.00 0.00 C ATOM 382 CG2 VAL A 23 0.094 -9.480 -2.803 1.00 0.00 C ATOM 0 H VAL A 23 2.122 -12.567 -4.382 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.557 -11.634 -4.322 1.00 0.00 H new ATOM 0 HB VAL A 23 1.021 -11.369 -2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.789 -9.660 -2.524 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.076 -10.971 -3.693 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.454 -9.400 -4.252 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.494 -9.019 -1.900 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.040 -8.735 -3.597 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.904 -9.868 -2.601 1.00 0.00 H new ATOM 392 N LYS A 24 -0.779 -9.868 -6.055 1.00 0.00 N ATOM 393 CA LYS A 24 -0.948 -8.905 -7.141 1.00 0.00 C ATOM 394 C LYS A 24 -1.248 -7.510 -6.595 1.00 0.00 C ATOM 395 O LYS A 24 -1.890 -7.367 -5.554 1.00 0.00 O ATOM 396 CB LYS A 24 -2.080 -9.345 -8.080 1.00 0.00 C ATOM 397 CG LYS A 24 -2.026 -10.814 -8.478 1.00 0.00 C ATOM 398 CD LYS A 24 -0.694 -11.183 -9.122 1.00 0.00 C ATOM 399 CE LYS A 24 -0.638 -10.750 -10.580 1.00 0.00 C ATOM 400 NZ LYS A 24 0.429 -11.468 -11.338 1.00 0.00 N ATOM 0 H LYS A 24 -1.652 -10.186 -5.634 1.00 0.00 H new ATOM 0 HA LYS A 24 -0.013 -8.868 -7.700 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.036 -9.146 -7.596 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.046 -8.734 -8.982 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.187 -11.435 -7.596 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.837 -11.031 -9.173 1.00 0.00 H new ATOM 0 HD2 LYS A 24 0.120 -10.713 -8.571 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.543 -12.260 -9.056 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.604 -10.936 -11.050 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.459 -9.676 -10.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.432 -11.143 -12.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.354 -11.271 -10.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.245 -12.491 -11.311 1.00 0.00 H new ATOM 414 N TYR A 25 -0.784 -6.488 -7.316 1.00 0.00 N ATOM 415 CA TYR A 25 -1.006 -5.095 -6.921 1.00 0.00 C ATOM 416 C TYR A 25 -2.502 -4.783 -6.862 1.00 0.00 C ATOM 417 O TYR A 25 -2.962 -4.087 -5.956 1.00 0.00 O ATOM 418 CB TYR A 25 -0.306 -4.151 -7.909 1.00 0.00 C ATOM 419 CG TYR A 25 -0.420 -2.678 -7.565 1.00 0.00 C ATOM 420 CD1 TYR A 25 -1.574 -1.960 -7.864 1.00 0.00 C ATOM 421 CD2 TYR A 25 0.629 -2.004 -6.950 1.00 0.00 C ATOM 422 CE1 TYR A 25 -1.678 -0.617 -7.561 1.00 0.00 C ATOM 423 CE2 TYR A 25 0.532 -0.660 -6.645 1.00 0.00 C ATOM 424 CZ TYR A 25 -0.623 0.028 -6.953 1.00 0.00 C ATOM 425 OH TYR A 25 -0.724 1.369 -6.654 1.00 0.00 O ATOM 0 H TYR A 25 -0.251 -6.599 -8.179 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.585 -4.945 -5.927 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.750 -4.418 -7.960 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.724 -4.312 -8.903 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -2.403 -2.462 -8.341 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.535 -2.540 -6.707 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -2.581 -0.075 -7.799 1.00 0.00 H new ATOM 0 HE2 TYR A 25 1.356 -0.151 -6.168 1.00 0.00 H new ATOM 0 HH TYR A 25 0.104 1.672 -6.227 1.00 0.00 H new ATOM 435 N GLU A 26 -3.253 -5.309 -7.832 1.00 0.00 N ATOM 436 CA GLU A 26 -4.698 -5.094 -7.896 1.00 0.00 C ATOM 437 C GLU A 26 -5.398 -5.673 -6.670 1.00 0.00 C ATOM 438 O GLU A 26 -6.268 -5.028 -6.086 1.00 0.00 O ATOM 439 CB GLU A 26 -5.276 -5.726 -9.167 1.00 0.00 C ATOM 440 CG GLU A 26 -6.307 -4.855 -9.864 1.00 0.00 C ATOM 441 CD GLU A 26 -6.746 -5.426 -11.198 1.00 0.00 C ATOM 442 OE1 GLU A 26 -6.109 -5.102 -12.220 1.00 0.00 O ATOM 443 OE2 GLU A 26 -7.726 -6.199 -11.218 1.00 0.00 O ATOM 0 H GLU A 26 -2.882 -5.888 -8.585 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.872 -4.018 -7.917 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.462 -5.937 -9.861 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.733 -6.682 -8.912 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.177 -4.741 -9.218 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.891 -3.859 -10.018 1.00 0.00 H new ATOM 450 N ASP A 27 -5.015 -6.894 -6.283 1.00 0.00 N ATOM 451 CA ASP A 27 -5.615 -7.555 -5.122 1.00 0.00 C ATOM 452 C ASP A 27 -5.341 -6.774 -3.840 1.00 0.00 C ATOM 453 O ASP A 27 -6.240 -6.577 -3.021 1.00 0.00 O ATOM 454 CB ASP A 27 -5.086 -8.986 -4.977 1.00 0.00 C ATOM 455 CG ASP A 27 -6.187 -9.980 -4.650 1.00 0.00 C ATOM 456 OD1 ASP A 27 -6.934 -9.743 -3.675 1.00 0.00 O ATOM 457 OD2 ASP A 27 -6.301 -10.995 -5.368 1.00 0.00 O ATOM 0 H ASP A 27 -4.295 -7.442 -6.755 1.00 0.00 H new ATOM 0 HA ASP A 27 -6.692 -7.589 -5.286 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.594 -9.284 -5.903 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.331 -9.013 -4.192 1.00 0.00 H new ATOM 462 N VAL A 28 -4.097 -6.324 -3.676 1.00 0.00 N ATOM 463 CA VAL A 28 -3.708 -5.557 -2.496 1.00 0.00 C ATOM 464 C VAL A 28 -4.431 -4.211 -2.471 1.00 0.00 C ATOM 465 O VAL A 28 -4.985 -3.814 -1.445 1.00 0.00 O ATOM 466 CB VAL A 28 -2.181 -5.316 -2.444 1.00 0.00 C ATOM 467 CG1 VAL A 28 -1.780 -4.638 -1.139 1.00 0.00 C ATOM 468 CG2 VAL A 28 -1.420 -6.627 -2.621 1.00 0.00 C ATOM 0 H VAL A 28 -3.343 -6.478 -4.346 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.993 -6.145 -1.624 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.918 -4.652 -3.267 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.702 -4.480 -1.128 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.289 -3.677 -1.057 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.063 -5.271 -0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.348 -6.434 -2.581 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.694 -7.317 -1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.674 -7.068 -3.585 1.00 0.00 H new ATOM 478 N GLU A 29 -4.429 -3.523 -3.613 1.00 0.00 N ATOM 479 CA GLU A 29 -5.086 -2.225 -3.735 1.00 0.00 C ATOM 480 C GLU A 29 -6.595 -2.344 -3.514 1.00 0.00 C ATOM 481 O GLU A 29 -7.194 -1.502 -2.846 1.00 0.00 O ATOM 482 CB GLU A 29 -4.803 -1.615 -5.112 1.00 0.00 C ATOM 483 CG GLU A 29 -5.221 -0.157 -5.232 1.00 0.00 C ATOM 484 CD GLU A 29 -5.691 0.202 -6.627 1.00 0.00 C ATOM 485 OE1 GLU A 29 -6.902 0.062 -6.899 1.00 0.00 O ATOM 486 OE2 GLU A 29 -4.848 0.623 -7.447 1.00 0.00 O ATOM 0 H GLU A 29 -3.977 -3.846 -4.469 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.681 -1.570 -2.963 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.737 -1.697 -5.324 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.325 -2.197 -5.872 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.020 0.048 -4.520 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.380 0.482 -4.960 1.00 0.00 H new ATOM 493 N HIS A 30 -7.205 -3.387 -4.081 1.00 0.00 N ATOM 494 CA HIS A 30 -8.647 -3.606 -3.943 1.00 0.00 C ATOM 495 C HIS A 30 -9.065 -3.677 -2.471 1.00 0.00 C ATOM 496 O HIS A 30 -10.079 -3.097 -2.079 1.00 0.00 O ATOM 497 CB HIS A 30 -9.066 -4.888 -4.672 1.00 0.00 C ATOM 498 CG HIS A 30 -10.481 -4.868 -5.165 1.00 0.00 C ATOM 499 ND1 HIS A 30 -11.295 -5.982 -5.162 1.00 0.00 N ATOM 500 CD2 HIS A 30 -11.226 -3.863 -5.687 1.00 0.00 C ATOM 501 CE1 HIS A 30 -12.476 -5.663 -5.662 1.00 0.00 C ATOM 502 NE2 HIS A 30 -12.461 -4.383 -5.987 1.00 0.00 N ATOM 0 H HIS A 30 -6.724 -4.092 -4.639 1.00 0.00 H new ATOM 0 HA HIS A 30 -9.155 -2.755 -4.397 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -8.398 -5.048 -5.519 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -8.937 -5.736 -3.999 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -10.907 -2.842 -5.839 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -13.312 -6.335 -5.784 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -13.240 -3.865 -6.394 1.00 0.00 H new ATOM 511 N LYS A 31 -8.276 -4.387 -1.661 1.00 0.00 N ATOM 512 CA LYS A 31 -8.566 -4.526 -0.235 1.00 0.00 C ATOM 513 C LYS A 31 -8.339 -3.208 0.506 1.00 0.00 C ATOM 514 O LYS A 31 -9.201 -2.762 1.263 1.00 0.00 O ATOM 515 CB LYS A 31 -7.698 -5.626 0.385 1.00 0.00 C ATOM 516 CG LYS A 31 -8.278 -7.023 0.232 1.00 0.00 C ATOM 517 CD LYS A 31 -8.318 -7.760 1.563 1.00 0.00 C ATOM 518 CE LYS A 31 -8.985 -9.123 1.428 1.00 0.00 C ATOM 519 NZ LYS A 31 -7.992 -10.233 1.341 1.00 0.00 N ATOM 0 H LYS A 31 -7.434 -4.873 -1.969 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.616 -4.801 -0.136 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.711 -5.600 -0.076 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.561 -5.414 1.445 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.286 -6.957 -0.179 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.680 -7.590 -0.481 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.303 -7.886 1.940 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.858 -7.161 2.296 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.640 -9.291 2.283 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.614 -9.131 0.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.492 -11.140 1.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.383 -10.089 0.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -7.408 -10.244 2.201 1.00 0.00 H new ATOM 533 N VAL A 32 -7.176 -2.592 0.286 1.00 0.00 N ATOM 534 CA VAL A 32 -6.840 -1.326 0.940 1.00 0.00 C ATOM 535 C VAL A 32 -7.812 -0.213 0.539 1.00 0.00 C ATOM 536 O VAL A 32 -8.224 0.590 1.377 1.00 0.00 O ATOM 537 CB VAL A 32 -5.396 -0.881 0.616 1.00 0.00 C ATOM 538 CG1 VAL A 32 -5.023 0.366 1.410 1.00 0.00 C ATOM 539 CG2 VAL A 32 -4.408 -2.008 0.893 1.00 0.00 C ATOM 0 H VAL A 32 -6.453 -2.948 -0.339 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.922 -1.501 2.013 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.348 -0.637 -0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.002 0.661 1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.706 1.177 1.156 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.094 0.153 2.477 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.398 -1.672 0.658 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.462 -2.288 1.945 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.657 -2.870 0.275 1.00 0.00 H new ATOM 549 N THR A 33 -8.171 -0.175 -0.744 1.00 0.00 N ATOM 550 CA THR A 33 -9.093 0.837 -1.258 1.00 0.00 C ATOM 551 C THR A 33 -10.462 0.729 -0.587 1.00 0.00 C ATOM 552 O THR A 33 -11.056 1.738 -0.225 1.00 0.00 O ATOM 553 CB THR A 33 -9.231 0.712 -2.779 1.00 0.00 C ATOM 554 OG1 THR A 33 -7.998 0.997 -3.412 1.00 0.00 O ATOM 555 CG2 THR A 33 -10.274 1.633 -3.378 1.00 0.00 C ATOM 0 H THR A 33 -7.837 -0.834 -1.447 1.00 0.00 H new ATOM 0 HA THR A 33 -8.680 1.818 -1.023 1.00 0.00 H new ATOM 0 HB THR A 33 -9.546 -0.317 -2.952 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.331 0.331 -3.144 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.312 1.486 -4.457 1.00 0.00 H new ATOM 0 HG22 THR A 33 -11.249 1.408 -2.946 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.012 2.669 -3.162 1.00 0.00 H new ATOM 563 N THR A 34 -10.962 -0.497 -0.423 1.00 0.00 N ATOM 564 CA THR A 34 -12.263 -0.709 0.213 1.00 0.00 C ATOM 565 C THR A 34 -12.200 -0.451 1.722 1.00 0.00 C ATOM 566 O THR A 34 -13.093 0.185 2.284 1.00 0.00 O ATOM 567 CB THR A 34 -12.778 -2.128 -0.054 1.00 0.00 C ATOM 568 OG1 THR A 34 -12.803 -2.404 -1.445 1.00 0.00 O ATOM 569 CG2 THR A 34 -14.173 -2.368 0.484 1.00 0.00 C ATOM 0 H THR A 34 -10.490 -1.352 -0.719 1.00 0.00 H new ATOM 0 HA THR A 34 -12.957 0.007 -0.227 1.00 0.00 H new ATOM 0 HB THR A 34 -12.083 -2.788 0.466 1.00 0.00 H new ATOM 0 HG1 THR A 34 -11.900 -2.634 -1.749 1.00 0.00 H new ATOM 0 HG21 THR A 34 -14.478 -3.391 0.262 1.00 0.00 H new ATOM 0 HG22 THR A 34 -14.178 -2.214 1.563 1.00 0.00 H new ATOM 0 HG23 THR A 34 -14.869 -1.672 0.015 1.00 0.00 H new ATOM 577 N VAL A 35 -11.151 -0.959 2.371 1.00 0.00 N ATOM 578 CA VAL A 35 -10.986 -0.795 3.817 1.00 0.00 C ATOM 579 C VAL A 35 -10.819 0.676 4.213 1.00 0.00 C ATOM 580 O VAL A 35 -11.468 1.147 5.147 1.00 0.00 O ATOM 581 CB VAL A 35 -9.776 -1.596 4.351 1.00 0.00 C ATOM 582 CG1 VAL A 35 -9.619 -1.407 5.855 1.00 0.00 C ATOM 583 CG2 VAL A 35 -9.911 -3.074 4.009 1.00 0.00 C ATOM 0 H VAL A 35 -10.404 -1.487 1.920 1.00 0.00 H new ATOM 0 HA VAL A 35 -11.900 -1.182 4.267 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.879 -1.213 3.864 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.761 -1.980 6.206 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -9.464 -0.351 6.075 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.520 -1.754 6.361 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -9.048 -3.617 4.395 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -10.821 -3.470 4.460 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.961 -3.194 2.927 1.00 0.00 H new ATOM 593 N PHE A 36 -9.931 1.388 3.516 1.00 0.00 N ATOM 594 CA PHE A 36 -9.670 2.797 3.823 1.00 0.00 C ATOM 595 C PHE A 36 -10.355 3.759 2.841 1.00 0.00 C ATOM 596 O PHE A 36 -10.078 4.960 2.862 1.00 0.00 O ATOM 597 CB PHE A 36 -8.161 3.053 3.827 1.00 0.00 C ATOM 598 CG PHE A 36 -7.398 2.156 4.762 1.00 0.00 C ATOM 599 CD1 PHE A 36 -7.185 2.529 6.079 1.00 0.00 C ATOM 600 CD2 PHE A 36 -6.890 0.944 4.322 1.00 0.00 C ATOM 601 CE1 PHE A 36 -6.482 1.709 6.940 1.00 0.00 C ATOM 602 CE2 PHE A 36 -6.186 0.121 5.178 1.00 0.00 C ATOM 603 CZ PHE A 36 -5.982 0.503 6.488 1.00 0.00 C ATOM 0 H PHE A 36 -9.383 1.016 2.740 1.00 0.00 H new ATOM 0 HA PHE A 36 -10.092 2.993 4.809 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.776 2.920 2.816 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.978 4.091 4.104 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.573 3.471 6.437 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.047 0.640 3.298 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.323 2.010 7.965 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.795 -0.821 4.823 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.432 -0.140 7.159 1.00 0.00 H new ATOM 613 N GLY A 37 -11.245 3.243 1.987 1.00 0.00 N ATOM 614 CA GLY A 37 -11.933 4.095 1.030 1.00 0.00 C ATOM 615 C GLY A 37 -11.019 4.589 -0.083 1.00 0.00 C ATOM 616 O GLY A 37 -9.808 4.365 -0.048 1.00 0.00 O ATOM 0 H GLY A 37 -11.498 2.256 1.943 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.766 3.544 0.593 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.357 4.952 1.553 1.00 0.00 H new ATOM 620 N GLN A 38 -11.600 5.263 -1.074 1.00 0.00 N ATOM 621 CA GLN A 38 -10.832 5.792 -2.202 1.00 0.00 C ATOM 622 C GLN A 38 -11.123 7.279 -2.406 1.00 0.00 C ATOM 623 O GLN A 38 -12.160 7.779 -1.969 1.00 0.00 O ATOM 624 CB GLN A 38 -11.144 5.012 -3.487 1.00 0.00 C ATOM 625 CG GLN A 38 -12.626 4.744 -3.713 1.00 0.00 C ATOM 626 CD GLN A 38 -13.037 4.920 -5.165 1.00 0.00 C ATOM 627 OE1 GLN A 38 -13.583 4.007 -5.782 1.00 0.00 O ATOM 628 NE2 GLN A 38 -12.772 6.100 -5.718 1.00 0.00 N ATOM 0 H GLN A 38 -12.600 5.456 -1.120 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.773 5.673 -1.972 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.753 5.568 -4.339 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -10.615 4.060 -3.458 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -12.861 3.729 -3.393 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -13.213 5.418 -3.089 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -12.317 6.830 -5.169 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -13.023 6.275 -6.691 1.00 0.00 H new ATOM 637 N PRO A 39 -10.204 8.012 -3.069 1.00 0.00 N ATOM 638 CA PRO A 39 -8.957 7.463 -3.606 1.00 0.00 C ATOM 639 C PRO A 39 -7.795 7.506 -2.608 1.00 0.00 C ATOM 640 O PRO A 39 -7.761 8.355 -1.715 1.00 0.00 O ATOM 641 CB PRO A 39 -8.684 8.390 -4.787 1.00 0.00 C ATOM 642 CG PRO A 39 -9.221 9.719 -4.361 1.00 0.00 C ATOM 643 CD PRO A 39 -10.320 9.454 -3.355 1.00 0.00 C ATOM 0 HA PRO A 39 -9.047 6.407 -3.861 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -7.618 8.446 -5.008 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.178 8.035 -5.691 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.433 10.329 -3.919 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.608 10.270 -5.218 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -10.188 10.051 -2.453 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.301 9.703 -3.761 1.00 0.00 H new ATOM 651 N LEU A 40 -6.845 6.582 -2.776 1.00 0.00 N ATOM 652 CA LEU A 40 -5.670 6.507 -1.905 1.00 0.00 C ATOM 653 C LEU A 40 -4.403 6.230 -2.712 1.00 0.00 C ATOM 654 O LEU A 40 -4.469 5.718 -3.831 1.00 0.00 O ATOM 655 CB LEU A 40 -5.853 5.408 -0.854 1.00 0.00 C ATOM 656 CG LEU A 40 -6.802 5.749 0.297 1.00 0.00 C ATOM 657 CD1 LEU A 40 -7.151 4.495 1.080 1.00 0.00 C ATOM 658 CD2 LEU A 40 -6.179 6.793 1.213 1.00 0.00 C ATOM 0 H LEU A 40 -6.867 5.874 -3.510 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.565 7.471 -1.408 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.221 4.511 -1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.877 5.163 -0.436 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.719 6.165 -0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.827 4.752 1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.636 3.777 0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.241 4.055 1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.869 7.022 2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.248 6.405 1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.974 7.700 0.644 1.00 0.00 H new ATOM 670 N ASP A 41 -3.248 6.558 -2.130 1.00 0.00 N ATOM 671 CA ASP A 41 -1.960 6.336 -2.786 1.00 0.00 C ATOM 672 C ASP A 41 -1.140 5.290 -2.028 1.00 0.00 C ATOM 673 O ASP A 41 -1.049 5.337 -0.797 1.00 0.00 O ATOM 674 CB ASP A 41 -1.172 7.649 -2.882 1.00 0.00 C ATOM 675 CG ASP A 41 -1.001 8.135 -4.312 1.00 0.00 C ATOM 676 OD1 ASP A 41 -0.796 7.292 -5.211 1.00 0.00 O ATOM 677 OD2 ASP A 41 -1.072 9.363 -4.533 1.00 0.00 O ATOM 0 H ASP A 41 -3.179 6.979 -1.204 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.153 5.966 -3.793 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -1.684 8.417 -2.302 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.189 7.511 -2.431 1.00 0.00 H new ATOM 682 N LEU A 42 -0.543 4.351 -2.765 1.00 0.00 N ATOM 683 CA LEU A 42 0.270 3.294 -2.158 1.00 0.00 C ATOM 684 C LEU A 42 1.742 3.703 -2.105 1.00 0.00 C ATOM 685 O LEU A 42 2.425 3.735 -3.132 1.00 0.00 O ATOM 686 CB LEU A 42 0.121 1.979 -2.934 1.00 0.00 C ATOM 687 CG LEU A 42 -1.246 1.293 -2.808 1.00 0.00 C ATOM 688 CD1 LEU A 42 -1.249 -0.033 -3.557 1.00 0.00 C ATOM 689 CD2 LEU A 42 -1.609 1.080 -1.347 1.00 0.00 C ATOM 0 H LEU A 42 -0.607 4.301 -3.782 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.088 3.142 -1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.315 2.175 -3.989 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.890 1.286 -2.592 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.997 1.944 -3.255 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.226 -0.505 -3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -1.038 0.144 -4.612 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.485 -0.688 -3.140 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -2.582 0.592 -1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.855 0.452 -0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.651 2.043 -0.838 1.00 0.00 H new ATOM 701 N HIS A 43 2.224 4.017 -0.901 1.00 0.00 N ATOM 702 CA HIS A 43 3.611 4.428 -0.708 1.00 0.00 C ATOM 703 C HIS A 43 4.385 3.399 0.116 1.00 0.00 C ATOM 704 O HIS A 43 3.941 2.987 1.190 1.00 0.00 O ATOM 705 CB HIS A 43 3.660 5.797 -0.024 1.00 0.00 C ATOM 706 CG HIS A 43 5.021 6.420 -0.003 1.00 0.00 C ATOM 707 ND1 HIS A 43 6.003 6.129 -0.929 1.00 0.00 N ATOM 708 CD2 HIS A 43 5.563 7.328 0.842 1.00 0.00 C ATOM 709 CE1 HIS A 43 7.087 6.828 -0.654 1.00 0.00 C ATOM 710 NE2 HIS A 43 6.846 7.564 0.416 1.00 0.00 N ATOM 0 H HIS A 43 1.671 3.994 -0.045 1.00 0.00 H new ATOM 0 HA HIS A 43 4.084 4.498 -1.688 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.971 6.471 -0.534 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.304 5.692 1.001 1.00 0.00 H new ATOM 0 HD2 HIS A 43 5.077 7.782 1.693 1.00 0.00 H new ATOM 0 HE1 HIS A 43 8.013 6.803 -1.209 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.507 8.205 0.855 1.00 0.00 H new ATOM 719 N TYR A 44 5.548 2.994 -0.395 1.00 0.00 N ATOM 720 CA TYR A 44 6.395 2.021 0.283 1.00 0.00 C ATOM 721 C TYR A 44 7.642 2.700 0.849 1.00 0.00 C ATOM 722 O TYR A 44 8.392 3.350 0.118 1.00 0.00 O ATOM 723 CB TYR A 44 6.791 0.907 -0.695 1.00 0.00 C ATOM 724 CG TYR A 44 7.862 -0.028 -0.179 1.00 0.00 C ATOM 725 CD1 TYR A 44 9.203 0.326 -0.233 1.00 0.00 C ATOM 726 CD2 TYR A 44 7.532 -1.265 0.357 1.00 0.00 C ATOM 727 CE1 TYR A 44 10.186 -0.525 0.231 1.00 0.00 C ATOM 728 CE2 TYR A 44 8.509 -2.123 0.826 1.00 0.00 C ATOM 729 CZ TYR A 44 9.834 -1.750 0.760 1.00 0.00 C ATOM 730 OH TYR A 44 10.807 -2.603 1.224 1.00 0.00 O ATOM 0 H TYR A 44 5.924 3.329 -1.282 1.00 0.00 H new ATOM 0 HA TYR A 44 5.837 1.584 1.112 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.904 0.323 -0.940 1.00 0.00 H new ATOM 0 HB3 TYR A 44 7.139 1.362 -1.622 1.00 0.00 H new ATOM 0 HD1 TYR A 44 9.482 1.284 -0.645 1.00 0.00 H new ATOM 0 HD2 TYR A 44 6.495 -1.562 0.408 1.00 0.00 H new ATOM 0 HE1 TYR A 44 11.225 -0.234 0.180 1.00 0.00 H new ATOM 0 HE2 TYR A 44 8.235 -3.081 1.242 1.00 0.00 H new ATOM 0 HH TYR A 44 10.389 -3.422 1.564 1.00 0.00 H new ATOM 740 N MET A 45 7.858 2.544 2.154 1.00 0.00 N ATOM 741 CA MET A 45 9.016 3.137 2.819 1.00 0.00 C ATOM 742 C MET A 45 9.805 2.077 3.585 1.00 0.00 C ATOM 743 O MET A 45 9.234 1.291 4.341 1.00 0.00 O ATOM 744 CB MET A 45 8.576 4.264 3.766 1.00 0.00 C ATOM 745 CG MET A 45 7.699 3.805 4.923 1.00 0.00 C ATOM 746 SD MET A 45 6.380 4.975 5.304 1.00 0.00 S ATOM 747 CE MET A 45 7.285 6.524 5.344 1.00 0.00 C ATOM 0 H MET A 45 7.246 2.011 2.772 1.00 0.00 H new ATOM 0 HA MET A 45 9.666 3.560 2.053 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.464 4.751 4.170 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.034 5.015 3.191 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.261 2.837 4.680 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.318 3.661 5.808 1.00 0.00 H new ATOM 0 HE1 MET A 45 6.774 7.227 6.001 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.294 6.347 5.717 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.338 6.940 4.338 1.00 0.00 H new ATOM 757 N ASN A 46 11.120 2.058 3.376 1.00 0.00 N ATOM 758 CA ASN A 46 11.990 1.088 4.038 1.00 0.00 C ATOM 759 C ASN A 46 12.503 1.628 5.375 1.00 0.00 C ATOM 760 O ASN A 46 12.085 1.163 6.437 1.00 0.00 O ATOM 761 CB ASN A 46 13.165 0.716 3.125 1.00 0.00 C ATOM 762 CG ASN A 46 13.387 -0.783 3.049 1.00 0.00 C ATOM 763 OD1 ASN A 46 13.642 -1.436 4.062 1.00 0.00 O ATOM 764 ND2 ASN A 46 13.291 -1.341 1.847 1.00 0.00 N ATOM 0 H ASN A 46 11.606 2.703 2.753 1.00 0.00 H new ATOM 0 HA ASN A 46 11.404 0.192 4.240 1.00 0.00 H new ATOM 0 HB2 ASN A 46 12.980 1.104 2.123 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.072 1.197 3.491 1.00 0.00 H new ATOM 0 HD21 ASN A 46 13.430 -2.346 1.739 1.00 0.00 H new ATOM 0 HD22 ASN A 46 13.078 -0.765 1.033 1.00 0.00 H new ATOM 771 N ASN A 47 13.408 2.608 5.316 1.00 0.00 N ATOM 772 CA ASN A 47 13.975 3.209 6.523 1.00 0.00 C ATOM 773 C ASN A 47 14.167 4.713 6.334 1.00 0.00 C ATOM 774 O ASN A 47 13.431 5.517 6.908 1.00 0.00 O ATOM 775 CB ASN A 47 15.312 2.545 6.880 1.00 0.00 C ATOM 776 CG ASN A 47 15.157 1.077 7.237 1.00 0.00 C ATOM 777 OD1 ASN A 47 15.036 0.722 8.410 1.00 0.00 O ATOM 778 ND2 ASN A 47 15.158 0.216 6.225 1.00 0.00 N ATOM 0 H ASN A 47 13.763 3.001 4.444 1.00 0.00 H new ATOM 0 HA ASN A 47 13.277 3.048 7.344 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.997 2.640 6.038 1.00 0.00 H new ATOM 0 HB3 ASN A 47 15.764 3.074 7.719 1.00 0.00 H new ATOM 0 HD21 ASN A 47 15.056 -0.783 6.405 1.00 0.00 H new ATOM 0 HD22 ASN A 47 15.261 0.554 5.268 1.00 0.00 H new ATOM 785 N GLU A 48 15.152 5.087 5.516 1.00 0.00 N ATOM 786 CA GLU A 48 15.435 6.493 5.237 1.00 0.00 C ATOM 787 C GLU A 48 15.235 6.813 3.749 1.00 0.00 C ATOM 788 O GLU A 48 15.705 7.844 3.262 1.00 0.00 O ATOM 789 CB GLU A 48 16.864 6.842 5.661 1.00 0.00 C ATOM 790 CG GLU A 48 17.190 6.447 7.093 1.00 0.00 C ATOM 791 CD GLU A 48 18.330 7.259 7.676 1.00 0.00 C ATOM 792 OE1 GLU A 48 18.068 8.371 8.181 1.00 0.00 O ATOM 793 OE2 GLU A 48 19.485 6.787 7.622 1.00 0.00 O ATOM 0 H GLU A 48 15.768 4.432 5.034 1.00 0.00 H new ATOM 0 HA GLU A 48 14.735 7.097 5.813 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.564 6.347 4.988 1.00 0.00 H new ATOM 0 HB3 GLU A 48 17.016 7.915 5.546 1.00 0.00 H new ATOM 0 HG2 GLU A 48 16.303 6.576 7.713 1.00 0.00 H new ATOM 0 HG3 GLU A 48 17.449 5.389 7.124 1.00 0.00 H new ATOM 800 N LEU A 49 14.532 5.929 3.031 1.00 0.00 N ATOM 801 CA LEU A 49 14.272 6.124 1.606 1.00 0.00 C ATOM 802 C LEU A 49 12.794 5.905 1.286 1.00 0.00 C ATOM 803 O LEU A 49 12.145 5.038 1.877 1.00 0.00 O ATOM 804 CB LEU A 49 15.131 5.170 0.772 1.00 0.00 C ATOM 805 CG LEU A 49 16.269 5.835 -0.008 1.00 0.00 C ATOM 806 CD1 LEU A 49 17.212 4.783 -0.573 1.00 0.00 C ATOM 807 CD2 LEU A 49 15.714 6.714 -1.125 1.00 0.00 C ATOM 0 H LEU A 49 14.134 5.073 3.417 1.00 0.00 H new ATOM 0 HA LEU A 49 14.533 7.152 1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 49 15.557 4.416 1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 49 14.485 4.647 0.067 1.00 0.00 H new ATOM 0 HG LEU A 49 16.831 6.469 0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 49 18.015 5.272 -1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 49 17.636 4.199 0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 49 16.661 4.123 -1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 49 16.538 7.177 -1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 49 15.127 6.103 -1.811 1.00 0.00 H new ATOM 0 HD23 LEU A 49 15.080 7.490 -0.696 1.00 0.00 H new ATOM 819 N SER A 50 12.272 6.697 0.351 1.00 0.00 N ATOM 820 CA SER A 50 10.873 6.597 -0.053 1.00 0.00 C ATOM 821 C SER A 50 10.753 6.046 -1.473 1.00 0.00 C ATOM 822 O SER A 50 11.370 6.568 -2.405 1.00 0.00 O ATOM 823 CB SER A 50 10.192 7.970 0.033 1.00 0.00 C ATOM 824 OG SER A 50 11.121 9.025 -0.160 1.00 0.00 O ATOM 0 H SER A 50 12.800 7.417 -0.142 1.00 0.00 H new ATOM 0 HA SER A 50 10.374 5.908 0.629 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.405 8.035 -0.719 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.713 8.079 1.006 1.00 0.00 H new ATOM 0 HG SER A 50 10.656 9.885 -0.101 1.00 0.00 H new ATOM 830 N ILE A 51 9.959 4.986 -1.629 1.00 0.00 N ATOM 831 CA ILE A 51 9.760 4.358 -2.932 1.00 0.00 C ATOM 832 C ILE A 51 8.278 4.333 -3.311 1.00 0.00 C ATOM 833 O ILE A 51 7.426 3.954 -2.505 1.00 0.00 O ATOM 834 CB ILE A 51 10.312 2.912 -2.959 1.00 0.00 C ATOM 835 CG1 ILE A 51 11.732 2.862 -2.376 1.00 0.00 C ATOM 836 CG2 ILE A 51 10.301 2.359 -4.378 1.00 0.00 C ATOM 837 CD1 ILE A 51 11.772 2.581 -0.889 1.00 0.00 C ATOM 0 H ILE A 51 9.444 4.545 -0.867 1.00 0.00 H new ATOM 0 HA ILE A 51 10.310 4.959 -3.656 1.00 0.00 H new ATOM 0 HB ILE A 51 9.664 2.290 -2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 51 12.302 2.093 -2.897 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.228 3.813 -2.570 1.00 0.00 H new ATOM 0 HG21 ILE A 51 10.693 1.342 -4.375 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.280 2.353 -4.758 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.923 2.985 -5.017 1.00 0.00 H new ATOM 0 HD11 ILE A 51 12.808 2.561 -0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.231 3.363 -0.356 1.00 0.00 H new ATOM 0 HD13 ILE A 51 11.306 1.616 -0.688 1.00 0.00 H new ATOM 849 N LEU A 52 7.981 4.737 -4.546 1.00 0.00 N ATOM 850 CA LEU A 52 6.606 4.761 -5.043 1.00 0.00 C ATOM 851 C LEU A 52 6.342 3.573 -5.965 1.00 0.00 C ATOM 852 O LEU A 52 7.165 3.251 -6.826 1.00 0.00 O ATOM 853 CB LEU A 52 6.326 6.072 -5.785 1.00 0.00 C ATOM 854 CG LEU A 52 4.898 6.610 -5.642 1.00 0.00 C ATOM 855 CD1 LEU A 52 4.861 8.111 -5.897 1.00 0.00 C ATOM 856 CD2 LEU A 52 3.951 5.884 -6.590 1.00 0.00 C ATOM 0 H LEU A 52 8.676 5.053 -5.222 1.00 0.00 H new ATOM 0 HA LEU A 52 5.936 4.691 -4.186 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.021 6.831 -5.425 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.537 5.924 -6.844 1.00 0.00 H new ATOM 0 HG LEU A 52 4.567 6.427 -4.620 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.838 8.473 -5.791 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.502 8.618 -5.176 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.216 8.317 -6.907 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.943 6.281 -6.472 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.281 6.032 -7.618 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.950 4.819 -6.359 1.00 0.00 H new ATOM 868 N LEU A 53 5.192 2.926 -5.781 1.00 0.00 N ATOM 869 CA LEU A 53 4.819 1.771 -6.596 1.00 0.00 C ATOM 870 C LEU A 53 3.677 2.121 -7.547 1.00 0.00 C ATOM 871 O LEU A 53 2.539 2.327 -7.118 1.00 0.00 O ATOM 872 CB LEU A 53 4.411 0.590 -5.705 1.00 0.00 C ATOM 873 CG LEU A 53 5.226 0.424 -4.417 1.00 0.00 C ATOM 874 CD1 LEU A 53 4.579 1.193 -3.273 1.00 0.00 C ATOM 875 CD2 LEU A 53 5.370 -1.049 -4.063 1.00 0.00 C ATOM 0 H LEU A 53 4.502 3.182 -5.074 1.00 0.00 H new ATOM 0 HA LEU A 53 5.689 1.485 -7.187 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.361 0.705 -5.438 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.493 -0.328 -6.287 1.00 0.00 H new ATOM 0 HG LEU A 53 6.222 0.834 -4.583 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.171 1.064 -2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.531 2.252 -3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.571 0.815 -3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.951 -1.148 -3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.382 -1.486 -3.915 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.880 -1.570 -4.874 1.00 0.00 H new ATOM 887 N LYS A 54 3.987 2.180 -8.842 1.00 0.00 N ATOM 888 CA LYS A 54 2.986 2.499 -9.861 1.00 0.00 C ATOM 889 C LYS A 54 2.491 1.235 -10.566 1.00 0.00 C ATOM 890 O LYS A 54 1.315 1.136 -10.918 1.00 0.00 O ATOM 891 CB LYS A 54 3.561 3.476 -10.892 1.00 0.00 C ATOM 892 CG LYS A 54 3.150 4.923 -10.657 1.00 0.00 C ATOM 893 CD LYS A 54 2.414 5.499 -11.859 1.00 0.00 C ATOM 894 CE LYS A 54 2.859 6.924 -12.159 1.00 0.00 C ATOM 895 NZ LYS A 54 4.044 6.966 -13.063 1.00 0.00 N ATOM 0 H LYS A 54 4.923 2.011 -9.211 1.00 0.00 H new ATOM 0 HA LYS A 54 2.140 2.967 -9.358 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.649 3.409 -10.876 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.237 3.172 -11.888 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.511 4.982 -9.776 1.00 0.00 H new ATOM 0 HG3 LYS A 54 4.035 5.524 -10.449 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.593 4.870 -12.731 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.341 5.485 -11.670 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.035 7.471 -12.617 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.099 7.432 -11.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.311 7.955 -13.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.839 6.467 -12.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.809 6.505 -13.965 1.00 0.00 H new ATOM 909 N ASN A 55 3.397 0.277 -10.772 1.00 0.00 N ATOM 910 CA ASN A 55 3.053 -0.978 -11.440 1.00 0.00 C ATOM 911 C ASN A 55 3.533 -2.183 -10.628 1.00 0.00 C ATOM 912 O ASN A 55 4.228 -2.027 -9.619 1.00 0.00 O ATOM 913 CB ASN A 55 3.669 -1.014 -12.844 1.00 0.00 C ATOM 914 CG ASN A 55 2.783 -1.731 -13.848 1.00 0.00 C ATOM 915 OD1 ASN A 55 1.694 -1.261 -14.175 1.00 0.00 O ATOM 916 ND2 ASN A 55 3.247 -2.873 -14.345 1.00 0.00 N ATOM 0 H ASN A 55 4.374 0.347 -10.486 1.00 0.00 H new ATOM 0 HA ASN A 55 1.967 -1.032 -11.522 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.848 0.006 -13.185 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.638 -1.510 -12.800 1.00 0.00 H new ATOM 0 HD21 ASN A 55 2.694 -3.395 -15.025 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.156 -3.227 -14.046 1.00 0.00 H new ATOM 923 N GLN A 56 3.165 -3.386 -11.082 1.00 0.00 N ATOM 924 CA GLN A 56 3.561 -4.622 -10.407 1.00 0.00 C ATOM 925 C GLN A 56 5.084 -4.716 -10.282 1.00 0.00 C ATOM 926 O GLN A 56 5.594 -5.252 -9.300 1.00 0.00 O ATOM 927 CB GLN A 56 3.021 -5.840 -11.167 1.00 0.00 C ATOM 928 CG GLN A 56 3.326 -7.169 -10.490 1.00 0.00 C ATOM 929 CD GLN A 56 2.268 -7.568 -9.477 1.00 0.00 C ATOM 930 OE1 GLN A 56 1.360 -8.341 -9.782 1.00 0.00 O ATOM 931 NE2 GLN A 56 2.381 -7.042 -8.262 1.00 0.00 N ATOM 0 H GLN A 56 2.593 -3.528 -11.915 1.00 0.00 H new ATOM 0 HA GLN A 56 3.135 -4.610 -9.404 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.941 -5.738 -11.278 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.445 -5.848 -12.171 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.409 -7.948 -11.248 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.294 -7.105 -9.992 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.149 -6.405 -8.051 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.699 -7.275 -7.540 1.00 0.00 H new ATOM 940 N ASP A 57 5.797 -4.188 -11.283 1.00 0.00 N ATOM 941 CA ASP A 57 7.262 -4.203 -11.290 1.00 0.00 C ATOM 942 C ASP A 57 7.823 -3.576 -10.008 1.00 0.00 C ATOM 943 O ASP A 57 8.725 -4.135 -9.381 1.00 0.00 O ATOM 944 CB ASP A 57 7.801 -3.453 -12.517 1.00 0.00 C ATOM 945 CG ASP A 57 7.231 -3.973 -13.827 1.00 0.00 C ATOM 946 OD1 ASP A 57 6.068 -3.641 -14.143 1.00 0.00 O ATOM 947 OD2 ASP A 57 7.950 -4.706 -14.537 1.00 0.00 O ATOM 0 H ASP A 57 5.380 -3.744 -12.101 1.00 0.00 H new ATOM 0 HA ASP A 57 7.586 -5.243 -11.338 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.567 -2.393 -12.420 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.887 -3.538 -12.540 1.00 0.00 H new ATOM 952 N ASP A 58 7.272 -2.421 -9.624 1.00 0.00 N ATOM 953 CA ASP A 58 7.706 -1.720 -8.412 1.00 0.00 C ATOM 954 C ASP A 58 7.460 -2.578 -7.171 1.00 0.00 C ATOM 955 O ASP A 58 8.317 -2.676 -6.292 1.00 0.00 O ATOM 956 CB ASP A 58 6.968 -0.383 -8.271 1.00 0.00 C ATOM 957 CG ASP A 58 7.422 0.655 -9.281 1.00 0.00 C ATOM 958 OD1 ASP A 58 8.622 1.007 -9.274 1.00 0.00 O ATOM 959 OD2 ASP A 58 6.577 1.116 -10.078 1.00 0.00 O ATOM 0 H ASP A 58 6.524 -1.951 -10.135 1.00 0.00 H new ATOM 0 HA ASP A 58 8.776 -1.529 -8.500 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.897 -0.551 -8.388 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.122 0.006 -7.264 1.00 0.00 H new ATOM 964 N LEU A 59 6.281 -3.202 -7.112 1.00 0.00 N ATOM 965 CA LEU A 59 5.917 -4.058 -5.984 1.00 0.00 C ATOM 966 C LEU A 59 6.754 -5.339 -5.963 1.00 0.00 C ATOM 967 O LEU A 59 7.140 -5.813 -4.894 1.00 0.00 O ATOM 968 CB LEU A 59 4.428 -4.408 -6.047 1.00 0.00 C ATOM 969 CG LEU A 59 3.875 -5.117 -4.809 1.00 0.00 C ATOM 970 CD1 LEU A 59 3.785 -4.153 -3.634 1.00 0.00 C ATOM 971 CD2 LEU A 59 2.514 -5.726 -5.113 1.00 0.00 C ATOM 0 H LEU A 59 5.563 -3.129 -7.833 1.00 0.00 H new ATOM 0 HA LEU A 59 6.120 -3.506 -5.066 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.861 -3.490 -6.205 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.256 -5.042 -6.917 1.00 0.00 H new ATOM 0 HG LEU A 59 4.558 -5.921 -4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.390 -4.676 -2.763 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.778 -3.765 -3.404 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.123 -3.326 -3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.133 -6.227 -4.223 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.821 -4.939 -5.411 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.612 -6.449 -5.923 1.00 0.00 H new ATOM 983 N ASP A 60 7.031 -5.891 -7.147 1.00 0.00 N ATOM 984 CA ASP A 60 7.824 -7.117 -7.257 1.00 0.00 C ATOM 985 C ASP A 60 9.230 -6.909 -6.700 1.00 0.00 C ATOM 986 O ASP A 60 9.751 -7.759 -5.976 1.00 0.00 O ATOM 987 CB ASP A 60 7.904 -7.572 -8.718 1.00 0.00 C ATOM 988 CG ASP A 60 7.841 -9.081 -8.859 1.00 0.00 C ATOM 989 OD1 ASP A 60 8.827 -9.755 -8.491 1.00 0.00 O ATOM 990 OD2 ASP A 60 6.805 -9.589 -9.337 1.00 0.00 O ATOM 0 H ASP A 60 6.719 -5.510 -8.040 1.00 0.00 H new ATOM 0 HA ASP A 60 7.330 -7.891 -6.670 1.00 0.00 H new ATOM 0 HB2 ASP A 60 7.086 -7.123 -9.281 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.832 -7.207 -9.159 1.00 0.00 H new ATOM 995 N LYS A 61 9.834 -5.767 -7.031 1.00 0.00 N ATOM 996 CA LYS A 61 11.172 -5.443 -6.555 1.00 0.00 C ATOM 997 C LYS A 61 11.174 -5.211 -5.041 1.00 0.00 C ATOM 998 O LYS A 61 12.147 -5.535 -4.361 1.00 0.00 O ATOM 999 CB LYS A 61 11.708 -4.207 -7.279 1.00 0.00 C ATOM 1000 CG LYS A 61 13.210 -4.244 -7.510 1.00 0.00 C ATOM 1001 CD LYS A 61 13.554 -4.899 -8.840 1.00 0.00 C ATOM 1002 CE LYS A 61 13.995 -6.345 -8.654 1.00 0.00 C ATOM 1003 NZ LYS A 61 14.892 -6.802 -9.754 1.00 0.00 N ATOM 0 H LYS A 61 9.415 -5.053 -7.627 1.00 0.00 H new ATOM 0 HA LYS A 61 11.823 -6.290 -6.771 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.203 -4.111 -8.240 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.459 -3.319 -6.698 1.00 0.00 H new ATOM 0 HG2 LYS A 61 13.607 -3.229 -7.489 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.691 -4.791 -6.699 1.00 0.00 H new ATOM 0 HD2 LYS A 61 12.686 -4.864 -9.499 1.00 0.00 H new ATOM 0 HD3 LYS A 61 14.348 -4.336 -9.329 1.00 0.00 H new ATOM 0 HE2 LYS A 61 14.511 -6.446 -7.699 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.117 -6.989 -8.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 15.168 -7.791 -9.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 14.391 -6.730 -10.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 15.743 -6.204 -9.779 1.00 0.00 H new ATOM 1017 N ALA A 62 10.074 -4.654 -4.522 1.00 0.00 N ATOM 1018 CA ALA A 62 9.949 -4.384 -3.090 1.00 0.00 C ATOM 1019 C ALA A 62 10.002 -5.675 -2.272 1.00 0.00 C ATOM 1020 O ALA A 62 10.560 -5.696 -1.172 1.00 0.00 O ATOM 1021 CB ALA A 62 8.657 -3.630 -2.797 1.00 0.00 C ATOM 0 H ALA A 62 9.260 -4.383 -5.073 1.00 0.00 H new ATOM 0 HA ALA A 62 10.795 -3.763 -2.797 1.00 0.00 H new ATOM 0 HB1 ALA A 62 8.582 -3.439 -1.727 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.658 -2.683 -3.336 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.805 -4.229 -3.119 1.00 0.00 H new ATOM 1027 N ILE A 63 9.434 -6.754 -2.817 1.00 0.00 N ATOM 1028 CA ILE A 63 9.432 -8.049 -2.138 1.00 0.00 C ATOM 1029 C ILE A 63 10.855 -8.592 -2.019 1.00 0.00 C ATOM 1030 O ILE A 63 11.257 -9.071 -0.959 1.00 0.00 O ATOM 1031 CB ILE A 63 8.553 -9.088 -2.877 1.00 0.00 C ATOM 1032 CG1 ILE A 63 7.146 -8.526 -3.120 1.00 0.00 C ATOM 1033 CG2 ILE A 63 8.479 -10.389 -2.083 1.00 0.00 C ATOM 1034 CD1 ILE A 63 6.458 -9.105 -4.338 1.00 0.00 C ATOM 0 H ILE A 63 8.970 -6.755 -3.726 1.00 0.00 H new ATOM 0 HA ILE A 63 9.012 -7.887 -1.145 1.00 0.00 H new ATOM 0 HB ILE A 63 9.011 -9.300 -3.843 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.531 -8.719 -2.241 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.212 -7.444 -3.232 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.857 -11.107 -2.618 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.482 -10.798 -1.961 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.045 -10.193 -1.103 1.00 0.00 H new ATOM 0 HD11 ILE A 63 5.469 -8.659 -4.443 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.050 -8.889 -5.227 1.00 0.00 H new ATOM 0 HD13 ILE A 63 6.359 -10.184 -4.221 1.00 0.00 H new ATOM 1046 N ASP A 64 11.612 -8.502 -3.114 1.00 0.00 N ATOM 1047 CA ASP A 64 12.996 -8.974 -3.134 1.00 0.00 C ATOM 1048 C ASP A 64 13.836 -8.246 -2.088 1.00 0.00 C ATOM 1049 O ASP A 64 14.653 -8.861 -1.400 1.00 0.00 O ATOM 1050 CB ASP A 64 13.609 -8.777 -4.524 1.00 0.00 C ATOM 1051 CG ASP A 64 14.561 -9.895 -4.901 1.00 0.00 C ATOM 1052 OD1 ASP A 64 15.766 -9.777 -4.597 1.00 0.00 O ATOM 1053 OD2 ASP A 64 14.100 -10.890 -5.500 1.00 0.00 O ATOM 0 H ASP A 64 11.290 -8.107 -3.997 1.00 0.00 H new ATOM 0 HA ASP A 64 12.991 -10.038 -2.895 1.00 0.00 H new ATOM 0 HB2 ASP A 64 12.811 -8.718 -5.265 1.00 0.00 H new ATOM 0 HB3 ASP A 64 14.141 -7.826 -4.552 1.00 0.00 H new ATOM 1058 N ILE A 65 13.628 -6.931 -1.968 1.00 0.00 N ATOM 1059 CA ILE A 65 14.365 -6.118 -1.000 1.00 0.00 C ATOM 1060 C ILE A 65 13.979 -6.484 0.434 1.00 0.00 C ATOM 1061 O ILE A 65 14.842 -6.574 1.310 1.00 0.00 O ATOM 1062 CB ILE A 65 14.123 -4.604 -1.215 1.00 0.00 C ATOM 1063 CG1 ILE A 65 14.379 -4.211 -2.674 1.00 0.00 C ATOM 1064 CG2 ILE A 65 15.010 -3.787 -0.282 1.00 0.00 C ATOM 1065 CD1 ILE A 65 13.545 -3.035 -3.140 1.00 0.00 C ATOM 0 H ILE A 65 12.955 -6.409 -2.529 1.00 0.00 H new ATOM 0 HA ILE A 65 15.422 -6.330 -1.159 1.00 0.00 H new ATOM 0 HB ILE A 65 13.080 -4.390 -0.983 1.00 0.00 H new ATOM 0 HG12 ILE A 65 15.435 -3.968 -2.796 1.00 0.00 H new ATOM 0 HG13 ILE A 65 14.173 -5.069 -3.314 1.00 0.00 H new ATOM 0 HG21 ILE A 65 14.828 -2.725 -0.445 1.00 0.00 H new ATOM 0 HG22 ILE A 65 14.780 -4.040 0.753 1.00 0.00 H new ATOM 0 HG23 ILE A 65 16.057 -4.012 -0.486 1.00 0.00 H new ATOM 0 HD11 ILE A 65 13.779 -2.813 -4.181 1.00 0.00 H new ATOM 0 HD12 ILE A 65 12.487 -3.281 -3.050 1.00 0.00 H new ATOM 0 HD13 ILE A 65 13.769 -2.164 -2.524 1.00 0.00 H new ATOM 1077 N LEU A 66 12.682 -6.696 0.666 1.00 0.00 N ATOM 1078 CA LEU A 66 12.186 -7.054 1.994 1.00 0.00 C ATOM 1079 C LEU A 66 12.816 -8.360 2.476 1.00 0.00 C ATOM 1080 O LEU A 66 13.291 -8.444 3.609 1.00 0.00 O ATOM 1081 CB LEU A 66 10.662 -7.185 1.984 1.00 0.00 C ATOM 1082 CG LEU A 66 9.978 -6.864 3.314 1.00 0.00 C ATOM 1083 CD1 LEU A 66 9.651 -5.381 3.403 1.00 0.00 C ATOM 1084 CD2 LEU A 66 8.719 -7.707 3.486 1.00 0.00 C ATOM 0 H LEU A 66 11.958 -6.626 -0.049 1.00 0.00 H new ATOM 0 HA LEU A 66 12.467 -6.256 2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.260 -6.523 1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.402 -8.203 1.695 1.00 0.00 H new ATOM 0 HG LEU A 66 10.666 -7.110 4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 66 9.165 -5.172 4.356 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.571 -4.801 3.330 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.983 -5.106 2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 66 8.246 -7.465 4.438 1.00 0.00 H new ATOM 0 HD22 LEU A 66 8.026 -7.496 2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.984 -8.764 3.471 1.00 0.00 H new ATOM 1096 N ASP A 67 12.825 -9.373 1.605 1.00 0.00 N ATOM 1097 CA ASP A 67 13.410 -10.673 1.942 1.00 0.00 C ATOM 1098 C ASP A 67 14.928 -10.561 2.100 1.00 0.00 C ATOM 1099 O ASP A 67 15.520 -11.215 2.959 1.00 0.00 O ATOM 1100 CB ASP A 67 13.073 -11.710 0.865 1.00 0.00 C ATOM 1101 CG ASP A 67 13.228 -13.135 1.365 1.00 0.00 C ATOM 1102 OD1 ASP A 67 14.353 -13.672 1.288 1.00 0.00 O ATOM 1103 OD2 ASP A 67 12.224 -13.714 1.830 1.00 0.00 O ATOM 0 H ASP A 67 12.435 -9.318 0.664 1.00 0.00 H new ATOM 0 HA ASP A 67 12.984 -10.998 2.891 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.049 -11.557 0.525 1.00 0.00 H new ATOM 0 HB3 ASP A 67 13.722 -11.558 0.002 1.00 0.00 H new ATOM 1108 N ARG A 68 15.548 -9.723 1.265 1.00 0.00 N ATOM 1109 CA ARG A 68 16.994 -9.510 1.305 1.00 0.00 C ATOM 1110 C ARG A 68 17.428 -8.828 2.609 1.00 0.00 C ATOM 1111 O ARG A 68 18.564 -9.002 3.053 1.00 0.00 O ATOM 1112 CB ARG A 68 17.439 -8.660 0.110 1.00 0.00 C ATOM 1113 CG ARG A 68 17.930 -9.472 -1.077 1.00 0.00 C ATOM 1114 CD ARG A 68 19.444 -9.630 -1.051 1.00 0.00 C ATOM 1115 NE ARG A 68 19.983 -10.005 -2.358 1.00 0.00 N ATOM 1116 CZ ARG A 68 21.256 -10.362 -2.569 1.00 0.00 C ATOM 1117 NH1 ARG A 68 22.126 -10.396 -1.561 1.00 0.00 N ATOM 1118 NH2 ARG A 68 21.659 -10.687 -3.792 1.00 0.00 N ATOM 0 H ARG A 68 15.066 -9.179 0.550 1.00 0.00 H new ATOM 0 HA ARG A 68 17.471 -10.489 1.256 1.00 0.00 H new ATOM 0 HB2 ARG A 68 16.604 -8.036 -0.210 1.00 0.00 H new ATOM 0 HB3 ARG A 68 18.235 -7.988 0.431 1.00 0.00 H new ATOM 0 HG2 ARG A 68 17.459 -10.455 -1.067 1.00 0.00 H new ATOM 0 HG3 ARG A 68 17.629 -8.984 -2.004 1.00 0.00 H new ATOM 0 HD2 ARG A 68 19.900 -8.694 -0.727 1.00 0.00 H new ATOM 0 HD3 ARG A 68 19.716 -10.388 -0.317 1.00 0.00 H new ATOM 0 HE ARG A 68 19.350 -9.994 -3.158 1.00 0.00 H new ATOM 0 HH11 ARG A 68 21.824 -10.149 -0.618 1.00 0.00 H new ATOM 0 HH12 ARG A 68 23.094 -10.669 -1.732 1.00 0.00 H new ATOM 0 HH21 ARG A 68 20.999 -10.664 -4.569 1.00 0.00 H new ATOM 0 HH22 ARG A 68 22.629 -10.959 -3.954 1.00 0.00 H new ATOM 1132 N SER A 69 16.524 -8.046 3.208 1.00 0.00 N ATOM 1133 CA SER A 69 16.821 -7.335 4.452 1.00 0.00 C ATOM 1134 C SER A 69 17.215 -8.299 5.572 1.00 0.00 C ATOM 1135 O SER A 69 16.726 -9.428 5.637 1.00 0.00 O ATOM 1136 CB SER A 69 15.615 -6.501 4.892 1.00 0.00 C ATOM 1137 OG SER A 69 15.844 -5.891 6.153 1.00 0.00 O ATOM 0 H SER A 69 15.582 -7.891 2.850 1.00 0.00 H new ATOM 0 HA SER A 69 17.667 -6.676 4.256 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.409 -5.733 4.146 1.00 0.00 H new ATOM 0 HB3 SER A 69 14.731 -7.137 4.948 1.00 0.00 H new ATOM 0 HG SER A 69 15.350 -5.046 6.202 1.00 0.00 H new ATOM 1143 N SER A 70 18.101 -7.839 6.454 1.00 0.00 N ATOM 1144 CA SER A 70 18.563 -8.648 7.579 1.00 0.00 C ATOM 1145 C SER A 70 17.464 -8.818 8.632 1.00 0.00 C ATOM 1146 O SER A 70 17.410 -9.840 9.317 1.00 0.00 O ATOM 1147 CB SER A 70 19.803 -8.014 8.217 1.00 0.00 C ATOM 1148 OG SER A 70 19.676 -6.603 8.297 1.00 0.00 O ATOM 0 H SER A 70 18.514 -6.907 6.410 1.00 0.00 H new ATOM 0 HA SER A 70 18.821 -9.635 7.195 1.00 0.00 H new ATOM 0 HB2 SER A 70 19.952 -8.425 9.215 1.00 0.00 H new ATOM 0 HB3 SER A 70 20.687 -8.269 7.632 1.00 0.00 H new ATOM 0 HG SER A 70 20.481 -6.225 8.710 1.00 0.00 H new ATOM 1154 N SER A 71 16.593 -7.811 8.762 1.00 0.00 N ATOM 1155 CA SER A 71 15.508 -7.854 9.730 1.00 0.00 C ATOM 1156 C SER A 71 14.254 -7.174 9.174 1.00 0.00 C ATOM 1157 O SER A 71 14.015 -5.988 9.416 1.00 0.00 O ATOM 1158 CB SER A 71 15.948 -7.184 11.038 1.00 0.00 C ATOM 1159 OG SER A 71 14.835 -6.850 11.848 1.00 0.00 O ATOM 0 H SER A 71 16.624 -6.957 8.204 1.00 0.00 H new ATOM 0 HA SER A 71 15.263 -8.897 9.932 1.00 0.00 H new ATOM 0 HB2 SER A 71 16.611 -7.853 11.586 1.00 0.00 H new ATOM 0 HB3 SER A 71 16.519 -6.283 10.813 1.00 0.00 H new ATOM 0 HG SER A 71 15.147 -6.426 12.675 1.00 0.00 H new ATOM 1165 N MET A 72 13.453 -7.938 8.434 1.00 0.00 N ATOM 1166 CA MET A 72 12.217 -7.424 7.847 1.00 0.00 C ATOM 1167 C MET A 72 11.387 -8.552 7.239 1.00 0.00 C ATOM 1168 O MET A 72 11.667 -9.014 6.132 1.00 0.00 O ATOM 1169 CB MET A 72 12.524 -6.370 6.778 1.00 0.00 C ATOM 1170 CG MET A 72 11.366 -5.421 6.517 1.00 0.00 C ATOM 1171 SD MET A 72 11.916 -3.773 6.037 1.00 0.00 S ATOM 1172 CE MET A 72 10.346 -2.947 5.806 1.00 0.00 C ATOM 0 H MET A 72 13.639 -8.919 8.226 1.00 0.00 H new ATOM 0 HA MET A 72 11.639 -6.960 8.646 1.00 0.00 H new ATOM 0 HB2 MET A 72 13.395 -5.792 7.087 1.00 0.00 H new ATOM 0 HB3 MET A 72 12.789 -6.873 5.848 1.00 0.00 H new ATOM 0 HG2 MET A 72 10.734 -5.833 5.730 1.00 0.00 H new ATOM 0 HG3 MET A 72 10.751 -5.348 7.414 1.00 0.00 H new ATOM 0 HE1 MET A 72 10.116 -2.894 4.742 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.563 -3.504 6.320 1.00 0.00 H new ATOM 0 HE3 MET A 72 10.402 -1.938 6.215 1.00 0.00 H new ATOM 1182 N LYS A 73 10.361 -8.986 7.969 1.00 0.00 N ATOM 1183 CA LYS A 73 9.481 -10.059 7.502 1.00 0.00 C ATOM 1184 C LYS A 73 8.189 -9.496 6.905 1.00 0.00 C ATOM 1185 O LYS A 73 7.653 -10.051 5.943 1.00 0.00 O ATOM 1186 CB LYS A 73 9.153 -11.036 8.640 1.00 0.00 C ATOM 1187 CG LYS A 73 8.739 -10.368 9.944 1.00 0.00 C ATOM 1188 CD LYS A 73 7.551 -11.073 10.576 1.00 0.00 C ATOM 1189 CE LYS A 73 6.237 -10.412 10.190 1.00 0.00 C ATOM 1190 NZ LYS A 73 5.979 -9.177 10.981 1.00 0.00 N ATOM 0 H LYS A 73 10.118 -8.612 8.886 1.00 0.00 H new ATOM 0 HA LYS A 73 10.014 -10.601 6.720 1.00 0.00 H new ATOM 0 HB2 LYS A 73 8.350 -11.698 8.314 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.025 -11.662 8.828 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.578 -10.372 10.639 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.487 -9.324 9.756 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.539 -12.117 10.264 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.658 -11.066 11.661 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.254 -10.165 9.128 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.419 -11.116 10.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.297 -8.577 10.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.590 -9.435 11.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.869 -8.656 11.111 1.00 0.00 H new ATOM 1204 N SER A 74 7.695 -8.394 7.475 1.00 0.00 N ATOM 1205 CA SER A 74 6.470 -7.760 6.990 1.00 0.00 C ATOM 1206 C SER A 74 6.796 -6.578 6.078 1.00 0.00 C ATOM 1207 O SER A 74 7.898 -6.029 6.132 1.00 0.00 O ATOM 1208 CB SER A 74 5.614 -7.287 8.170 1.00 0.00 C ATOM 1209 OG SER A 74 4.534 -8.174 8.407 1.00 0.00 O ATOM 0 H SER A 74 8.125 -7.924 8.272 1.00 0.00 H new ATOM 0 HA SER A 74 5.910 -8.498 6.416 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.232 -7.215 9.065 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.229 -6.288 7.966 1.00 0.00 H new ATOM 0 HG SER A 74 4.082 -8.372 7.561 1.00 0.00 H new ATOM 1215 N LEU A 75 5.832 -6.190 5.242 1.00 0.00 N ATOM 1216 CA LEU A 75 6.023 -5.071 4.319 1.00 0.00 C ATOM 1217 C LEU A 75 5.554 -3.762 4.949 1.00 0.00 C ATOM 1218 O LEU A 75 4.415 -3.660 5.413 1.00 0.00 O ATOM 1219 CB LEU A 75 5.270 -5.319 3.006 1.00 0.00 C ATOM 1220 CG LEU A 75 6.153 -5.661 1.801 1.00 0.00 C ATOM 1221 CD1 LEU A 75 5.880 -7.079 1.322 1.00 0.00 C ATOM 1222 CD2 LEU A 75 5.927 -4.665 0.672 1.00 0.00 C ATOM 0 H LEU A 75 4.915 -6.632 5.185 1.00 0.00 H new ATOM 0 HA LEU A 75 7.089 -4.992 4.104 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.562 -6.134 3.160 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.686 -4.430 2.767 1.00 0.00 H new ATOM 0 HG LEU A 75 7.196 -5.598 2.113 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.517 -7.303 0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.094 -7.782 2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.834 -7.169 1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.563 -4.924 -0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.882 -4.695 0.364 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.174 -3.661 1.017 1.00 0.00 H new ATOM 1234 N ARG A 76 6.436 -2.761 4.960 1.00 0.00 N ATOM 1235 CA ARG A 76 6.111 -1.457 5.532 1.00 0.00 C ATOM 1236 C ARG A 76 5.429 -0.564 4.494 1.00 0.00 C ATOM 1237 O ARG A 76 6.086 0.219 3.802 1.00 0.00 O ATOM 1238 CB ARG A 76 7.376 -0.776 6.074 1.00 0.00 C ATOM 1239 CG ARG A 76 7.244 -0.295 7.509 1.00 0.00 C ATOM 1240 CD ARG A 76 7.912 1.056 7.705 1.00 0.00 C ATOM 1241 NE ARG A 76 7.379 1.766 8.868 1.00 0.00 N ATOM 1242 CZ ARG A 76 7.730 1.504 10.133 1.00 0.00 C ATOM 1243 NH1 ARG A 76 8.620 0.550 10.406 1.00 0.00 N ATOM 1244 NH2 ARG A 76 7.187 2.202 11.127 1.00 0.00 N ATOM 0 H ARG A 76 7.380 -2.830 4.579 1.00 0.00 H new ATOM 0 HA ARG A 76 5.418 -1.612 6.359 1.00 0.00 H new ATOM 0 HB2 ARG A 76 8.210 -1.475 6.010 1.00 0.00 H new ATOM 0 HB3 ARG A 76 7.622 0.073 5.437 1.00 0.00 H new ATOM 0 HG2 ARG A 76 6.189 -0.223 7.775 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.693 -1.026 8.182 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.986 0.915 7.827 1.00 0.00 H new ATOM 0 HD3 ARG A 76 7.769 1.664 6.812 1.00 0.00 H new ATOM 0 HE ARG A 76 6.697 2.507 8.705 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.040 0.012 9.648 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.881 0.358 11.373 1.00 0.00 H new ATOM 0 HH21 ARG A 76 6.506 2.934 10.924 1.00 0.00 H new ATOM 0 HH22 ARG A 76 7.452 2.005 12.092 1.00 0.00 H new ATOM 1258 N ILE A 77 4.106 -0.693 4.389 1.00 0.00 N ATOM 1259 CA ILE A 77 3.330 0.096 3.436 1.00 0.00 C ATOM 1260 C ILE A 77 2.575 1.220 4.141 1.00 0.00 C ATOM 1261 O ILE A 77 1.854 0.982 5.113 1.00 0.00 O ATOM 1262 CB ILE A 77 2.320 -0.776 2.657 1.00 0.00 C ATOM 1263 CG1 ILE A 77 3.005 -2.023 2.082 1.00 0.00 C ATOM 1264 CG2 ILE A 77 1.664 0.031 1.543 1.00 0.00 C ATOM 1265 CD1 ILE A 77 4.115 -1.714 1.099 1.00 0.00 C ATOM 0 H ILE A 77 3.551 -1.337 4.953 1.00 0.00 H new ATOM 0 HA ILE A 77 4.043 0.522 2.730 1.00 0.00 H new ATOM 0 HB ILE A 77 1.546 -1.101 3.352 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.413 -2.612 2.903 1.00 0.00 H new ATOM 0 HG13 ILE A 77 2.256 -2.641 1.587 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.956 -0.600 1.005 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.137 0.883 1.973 1.00 0.00 H new ATOM 0 HG23 ILE A 77 2.429 0.387 0.853 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.550 -2.645 0.737 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.710 -1.152 0.258 1.00 0.00 H new ATOM 0 HD13 ILE A 77 4.885 -1.122 1.594 1.00 0.00 H new ATOM 1277 N LEU A 78 2.739 2.441 3.639 1.00 0.00 N ATOM 1278 CA LEU A 78 2.071 3.605 4.208 1.00 0.00 C ATOM 1279 C LEU A 78 1.071 4.191 3.216 1.00 0.00 C ATOM 1280 O LEU A 78 1.445 4.628 2.126 1.00 0.00 O ATOM 1281 CB LEU A 78 3.098 4.667 4.610 1.00 0.00 C ATOM 1282 CG LEU A 78 2.524 5.869 5.366 1.00 0.00 C ATOM 1283 CD1 LEU A 78 3.175 6.005 6.735 1.00 0.00 C ATOM 1284 CD2 LEU A 78 2.706 7.144 4.553 1.00 0.00 C ATOM 0 H LEU A 78 3.332 2.649 2.836 1.00 0.00 H new ATOM 0 HA LEU A 78 1.529 3.286 5.098 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.861 4.197 5.231 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.597 5.027 3.710 1.00 0.00 H new ATOM 0 HG LEU A 78 1.457 5.705 5.514 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.753 6.865 7.255 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.990 5.102 7.317 1.00 0.00 H new ATOM 0 HD13 LEU A 78 4.249 6.145 6.615 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.293 7.989 5.104 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.768 7.312 4.373 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.188 7.044 3.599 1.00 0.00 H new ATOM 1296 N LEU A 79 -0.201 4.201 3.609 1.00 0.00 N ATOM 1297 CA LEU A 79 -1.263 4.737 2.762 1.00 0.00 C ATOM 1298 C LEU A 79 -1.771 6.063 3.319 1.00 0.00 C ATOM 1299 O LEU A 79 -2.057 6.178 4.512 1.00 0.00 O ATOM 1300 CB LEU A 79 -2.423 3.740 2.640 1.00 0.00 C ATOM 1301 CG LEU A 79 -2.787 2.986 3.924 1.00 0.00 C ATOM 1302 CD1 LEU A 79 -4.298 2.879 4.074 1.00 0.00 C ATOM 1303 CD2 LEU A 79 -2.149 1.604 3.926 1.00 0.00 C ATOM 0 H LEU A 79 -0.521 3.844 4.509 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.848 4.906 1.768 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.305 4.278 2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.172 3.010 1.870 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.400 3.547 4.775 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.535 2.340 4.991 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.731 3.878 4.117 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.711 2.341 3.221 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.417 1.081 4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.508 1.036 3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.065 1.704 3.868 1.00 0.00 H new ATOM 1315 N LEU A 80 -1.881 7.063 2.446 1.00 0.00 N ATOM 1316 CA LEU A 80 -2.355 8.386 2.849 1.00 0.00 C ATOM 1317 C LEU A 80 -3.537 8.831 1.991 1.00 0.00 C ATOM 1318 O LEU A 80 -3.654 8.438 0.829 1.00 0.00 O ATOM 1319 CB LEU A 80 -1.222 9.416 2.756 1.00 0.00 C ATOM 1320 CG LEU A 80 -0.502 9.491 1.401 1.00 0.00 C ATOM 1321 CD1 LEU A 80 -1.139 10.551 0.512 1.00 0.00 C ATOM 1322 CD2 LEU A 80 0.978 9.783 1.602 1.00 0.00 C ATOM 0 H LEU A 80 -1.649 6.982 1.456 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.688 8.319 3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.630 10.400 2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.485 9.189 3.527 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.601 8.525 0.906 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.614 10.588 -0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.186 10.301 0.341 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.073 11.523 1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.474 9.833 0.633 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.094 10.736 2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.428 8.990 2.199 1.00 0.00 H new ATOM 1334 N SER A 81 -4.407 9.655 2.574 1.00 0.00 N ATOM 1335 CA SER A 81 -5.583 10.165 1.869 1.00 0.00 C ATOM 1336 C SER A 81 -5.177 11.075 0.710 1.00 0.00 C ATOM 1337 O SER A 81 -4.169 11.779 0.784 1.00 0.00 O ATOM 1338 CB SER A 81 -6.497 10.925 2.836 1.00 0.00 C ATOM 1339 OG SER A 81 -5.748 11.550 3.867 1.00 0.00 O ATOM 0 H SER A 81 -4.319 9.984 3.535 1.00 0.00 H new ATOM 0 HA SER A 81 -6.126 9.312 1.462 1.00 0.00 H new ATOM 0 HB2 SER A 81 -7.065 11.677 2.288 1.00 0.00 H new ATOM 0 HB3 SER A 81 -7.220 10.237 3.274 1.00 0.00 H new ATOM 0 HG SER A 81 -6.356 12.029 4.468 1.00 0.00 H new ATOM 1345 N GLN A 82 -5.971 11.054 -0.361 1.00 0.00 N ATOM 1346 CA GLN A 82 -5.700 11.878 -1.539 1.00 0.00 C ATOM 1347 C GLN A 82 -6.216 13.312 -1.379 1.00 0.00 C ATOM 1348 O GLN A 82 -6.157 14.110 -2.319 1.00 0.00 O ATOM 1349 CB GLN A 82 -6.291 11.230 -2.798 1.00 0.00 C ATOM 1350 CG GLN A 82 -5.546 11.579 -4.079 1.00 0.00 C ATOM 1351 CD GLN A 82 -4.258 10.798 -4.238 1.00 0.00 C ATOM 1352 OE1 GLN A 82 -4.234 9.740 -4.866 1.00 0.00 O ATOM 1353 NE2 GLN A 82 -3.175 11.317 -3.671 1.00 0.00 N ATOM 0 H GLN A 82 -6.807 10.475 -0.437 1.00 0.00 H new ATOM 0 HA GLN A 82 -4.617 11.937 -1.645 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -6.290 10.147 -2.672 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.332 11.538 -2.899 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.192 11.384 -4.935 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.322 12.646 -4.085 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.239 12.197 -3.159 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -2.279 10.836 -3.747 1.00 0.00 H new ATOM 1362 N ASP A 83 -6.716 13.633 -0.191 1.00 0.00 N ATOM 1363 CA ASP A 83 -7.237 14.970 0.097 1.00 0.00 C ATOM 1364 C ASP A 83 -6.141 15.880 0.672 1.00 0.00 C ATOM 1365 O ASP A 83 -6.331 16.530 1.703 1.00 0.00 O ATOM 1366 CB ASP A 83 -8.422 14.880 1.067 1.00 0.00 C ATOM 1367 CG ASP A 83 -9.736 14.637 0.351 1.00 0.00 C ATOM 1368 OD1 ASP A 83 -10.031 13.466 0.033 1.00 0.00 O ATOM 1369 OD2 ASP A 83 -10.470 15.618 0.105 1.00 0.00 O ATOM 0 H ASP A 83 -6.773 12.984 0.594 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.580 15.409 -0.840 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.245 14.074 1.779 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.489 15.804 1.641 1.00 0.00 H new ATOM 1374 N ARG A 84 -4.998 15.928 -0.015 1.00 0.00 N ATOM 1375 CA ARG A 84 -3.874 16.760 0.403 1.00 0.00 C ATOM 1376 C ARG A 84 -3.658 17.894 -0.604 1.00 0.00 C ATOM 1377 O ARG A 84 -2.581 18.029 -1.191 1.00 0.00 O ATOM 1378 CB ARG A 84 -2.606 15.903 0.539 1.00 0.00 C ATOM 1379 CG ARG A 84 -1.398 16.673 1.046 1.00 0.00 C ATOM 1380 CD ARG A 84 -0.404 15.763 1.751 1.00 0.00 C ATOM 1381 NE ARG A 84 0.967 15.983 1.287 1.00 0.00 N ATOM 1382 CZ ARG A 84 1.727 17.021 1.654 1.00 0.00 C ATOM 1383 NH1 ARG A 84 1.255 17.950 2.486 1.00 0.00 N ATOM 1384 NH2 ARG A 84 2.965 17.132 1.182 1.00 0.00 N ATOM 0 H ARG A 84 -4.828 15.396 -0.868 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.097 17.200 1.375 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.809 15.075 1.218 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.367 15.468 -0.431 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.906 17.170 0.210 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.726 17.454 1.732 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -0.455 15.935 2.826 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.681 14.723 1.581 1.00 0.00 H new ATOM 0 HE ARG A 84 1.368 15.301 0.643 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.305 17.874 2.850 1.00 0.00 H new ATOM 0 HH12 ARG A 84 1.844 18.737 2.759 1.00 0.00 H new ATOM 0 HH21 ARG A 84 3.332 16.427 0.542 1.00 0.00 H new ATOM 0 HH22 ARG A 84 3.548 17.922 1.459 1.00 0.00 H new ATOM 1398 N ASN A 85 -4.699 18.705 -0.801 1.00 0.00 N ATOM 1399 CA ASN A 85 -4.634 19.823 -1.736 1.00 0.00 C ATOM 1400 C ASN A 85 -3.783 20.955 -1.171 1.00 0.00 C ATOM 1401 O ASN A 85 -4.230 21.710 -0.304 1.00 0.00 O ATOM 1402 CB ASN A 85 -6.042 20.333 -2.063 1.00 0.00 C ATOM 1403 CG ASN A 85 -6.161 20.805 -3.500 1.00 0.00 C ATOM 1404 OD1 ASN A 85 -6.436 20.015 -4.402 1.00 0.00 O ATOM 1405 ND2 ASN A 85 -5.951 22.099 -3.722 1.00 0.00 N ATOM 0 H ASN A 85 -5.595 18.606 -0.325 1.00 0.00 H new ATOM 0 HA ASN A 85 -4.168 19.467 -2.655 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -6.766 19.538 -1.882 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -6.295 21.153 -1.391 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -6.016 22.471 -4.670 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -5.725 22.720 -2.945 1.00 0.00 H new ATOM 1412 N LEU A 86 -2.552 21.061 -1.666 1.00 0.00 N ATOM 1413 CA LEU A 86 -1.626 22.093 -1.213 1.00 0.00 C ATOM 1414 C LEU A 86 -1.212 23.005 -2.371 1.00 0.00 C ATOM 1415 O LEU A 86 -1.265 24.230 -2.250 1.00 0.00 O ATOM 1416 CB LEU A 86 -0.387 21.451 -0.580 1.00 0.00 C ATOM 1417 CG LEU A 86 -0.153 21.808 0.891 1.00 0.00 C ATOM 1418 CD1 LEU A 86 -0.971 20.903 1.803 1.00 0.00 C ATOM 1419 CD2 LEU A 86 1.327 21.720 1.232 1.00 0.00 C ATOM 0 H LEU A 86 -2.173 20.442 -2.383 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.134 22.701 -0.464 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.473 20.368 -0.666 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.491 21.747 -1.154 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.481 22.835 1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.789 21.174 2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.031 21.021 1.577 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.679 19.865 1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.475 21.977 2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.682 20.705 1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.887 22.415 0.606 1.00 0.00 H new ATOM 1431 N GLU A 87 -0.804 22.399 -3.491 1.00 0.00 N ATOM 1432 CA GLU A 87 -0.385 23.155 -4.671 1.00 0.00 C ATOM 1433 C GLU A 87 -1.569 23.428 -5.599 1.00 0.00 C ATOM 1434 O GLU A 87 -2.385 22.539 -5.857 1.00 0.00 O ATOM 1435 CB GLU A 87 0.711 22.394 -5.428 1.00 0.00 C ATOM 1436 CG GLU A 87 1.218 23.119 -6.670 1.00 0.00 C ATOM 1437 CD GLU A 87 2.731 23.071 -6.815 1.00 0.00 C ATOM 1438 OE1 GLU A 87 3.326 22.001 -6.563 1.00 0.00 O ATOM 1439 OE2 GLU A 87 3.320 24.107 -7.190 1.00 0.00 O ATOM 0 H GLU A 87 -0.756 21.386 -3.603 1.00 0.00 H new ATOM 0 HA GLU A 87 0.012 24.112 -4.334 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.549 22.217 -4.754 1.00 0.00 H new ATOM 0 HB3 GLU A 87 0.326 21.417 -5.721 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.760 22.675 -7.554 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.896 24.160 -6.632 1.00 0.00 H new ATOM 1446 N HIS A 88 -1.652 24.659 -6.102 1.00 0.00 N ATOM 1447 CA HIS A 88 -2.730 25.049 -7.006 1.00 0.00 C ATOM 1448 C HIS A 88 -2.184 25.344 -8.403 1.00 0.00 C ATOM 1449 O HIS A 88 -1.480 26.336 -8.607 1.00 0.00 O ATOM 1450 CB HIS A 88 -3.470 26.275 -6.459 1.00 0.00 C ATOM 1451 CG HIS A 88 -4.958 26.180 -6.589 1.00 0.00 C ATOM 1452 ND1 HIS A 88 -5.808 26.124 -5.503 1.00 0.00 N ATOM 1453 CD2 HIS A 88 -5.751 26.134 -7.687 1.00 0.00 C ATOM 1454 CE1 HIS A 88 -7.055 26.048 -5.927 1.00 0.00 C ATOM 1455 NE2 HIS A 88 -7.050 26.053 -7.247 1.00 0.00 N ATOM 0 H HIS A 88 -0.985 25.403 -5.898 1.00 0.00 H new ATOM 0 HA HIS A 88 -3.432 24.218 -7.077 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -3.212 26.406 -5.408 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -3.123 27.164 -6.986 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -5.423 26.157 -8.716 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -7.932 25.991 -5.300 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -7.876 26.005 -7.843 1.00 0.00 H new ATOM 1464 N HIS A 89 -2.510 24.474 -9.359 1.00 0.00 N ATOM 1465 CA HIS A 89 -2.052 24.636 -10.736 1.00 0.00 C ATOM 1466 C HIS A 89 -3.177 25.138 -11.637 1.00 0.00 C ATOM 1467 O HIS A 89 -4.328 24.724 -11.497 1.00 0.00 O ATOM 1468 CB HIS A 89 -1.509 23.309 -11.275 1.00 0.00 C ATOM 1469 CG HIS A 89 -0.076 23.050 -10.916 1.00 0.00 C ATOM 1470 ND1 HIS A 89 0.491 21.792 -10.940 1.00 0.00 N ATOM 1471 CD2 HIS A 89 0.908 23.895 -10.523 1.00 0.00 C ATOM 1472 CE1 HIS A 89 1.760 21.874 -10.580 1.00 0.00 C ATOM 1473 NE2 HIS A 89 2.037 23.139 -10.321 1.00 0.00 N ATOM 0 H HIS A 89 -3.090 23.650 -9.203 1.00 0.00 H new ATOM 0 HA HIS A 89 -1.254 25.379 -10.737 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -2.123 22.494 -10.892 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.609 23.300 -12.360 1.00 0.00 H new ATOM 0 HD2 HIS A 89 0.821 24.964 -10.393 1.00 0.00 H new ATOM 0 HE1 HIS A 89 2.452 21.048 -10.510 1.00 0.00 H new ATOM 0 HE2 HIS A 89 2.943 23.497 -10.020 1.00 0.00 H new ATOM 1482 N HIS A 90 -2.831 26.030 -12.566 1.00 0.00 N ATOM 1483 CA HIS A 90 -3.806 26.590 -13.499 1.00 0.00 C ATOM 1484 C HIS A 90 -3.108 27.224 -14.703 1.00 0.00 C ATOM 1485 O HIS A 90 -2.801 28.418 -14.697 1.00 0.00 O ATOM 1486 CB HIS A 90 -4.688 27.628 -12.790 1.00 0.00 C ATOM 1487 CG HIS A 90 -6.156 27.333 -12.870 1.00 0.00 C ATOM 1488 ND1 HIS A 90 -7.125 28.271 -12.581 1.00 0.00 N ATOM 1489 CD2 HIS A 90 -6.820 26.202 -13.206 1.00 0.00 C ATOM 1490 CE1 HIS A 90 -8.320 27.729 -12.734 1.00 0.00 C ATOM 1491 NE2 HIS A 90 -8.163 26.473 -13.115 1.00 0.00 N ATOM 0 H HIS A 90 -1.881 26.380 -12.691 1.00 0.00 H new ATOM 0 HA HIS A 90 -4.437 25.777 -13.859 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -4.395 27.684 -11.742 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -4.500 28.609 -13.226 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -6.375 25.260 -13.493 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -9.265 28.227 -12.575 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -8.916 25.813 -13.310 1.00 0.00 H new ATOM 1500 N HIS A 91 -2.865 26.418 -15.737 1.00 0.00 N ATOM 1501 CA HIS A 91 -2.207 26.901 -16.950 1.00 0.00 C ATOM 1502 C HIS A 91 -3.224 27.118 -18.076 1.00 0.00 C ATOM 1503 O HIS A 91 -2.916 26.917 -19.254 1.00 0.00 O ATOM 1504 CB HIS A 91 -1.123 25.908 -17.391 1.00 0.00 C ATOM 1505 CG HIS A 91 0.199 26.547 -17.694 1.00 0.00 C ATOM 1506 ND1 HIS A 91 0.731 27.577 -16.943 1.00 0.00 N ATOM 1507 CD2 HIS A 91 1.100 26.295 -18.673 1.00 0.00 C ATOM 1508 CE1 HIS A 91 1.901 27.927 -17.447 1.00 0.00 C ATOM 1509 NE2 HIS A 91 2.149 27.165 -18.495 1.00 0.00 N ATOM 0 H HIS A 91 -3.114 25.429 -15.758 1.00 0.00 H new ATOM 0 HA HIS A 91 -1.739 27.861 -16.729 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.985 25.164 -16.606 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -1.470 25.376 -18.277 1.00 0.00 H new ATOM 0 HD2 HIS A 91 1.011 25.549 -19.449 1.00 0.00 H new ATOM 0 HE1 HIS A 91 2.545 28.705 -17.066 1.00 0.00 H new ATOM 0 HE2 HIS A 91 2.984 27.214 -19.079 1.00 0.00 H new ATOM 1518 N HIS A 92 -4.438 27.534 -17.703 1.00 0.00 N ATOM 1519 CA HIS A 92 -5.500 27.785 -18.671 1.00 0.00 C ATOM 1520 C HIS A 92 -6.479 28.826 -18.132 1.00 0.00 C ATOM 1521 O HIS A 92 -7.396 28.495 -17.376 1.00 0.00 O ATOM 1522 CB HIS A 92 -6.240 26.485 -19.001 1.00 0.00 C ATOM 1523 CG HIS A 92 -7.156 26.597 -20.183 1.00 0.00 C ATOM 1524 ND1 HIS A 92 -8.417 27.150 -20.110 1.00 0.00 N ATOM 1525 CD2 HIS A 92 -6.985 26.224 -21.474 1.00 0.00 C ATOM 1526 CE1 HIS A 92 -8.982 27.109 -21.304 1.00 0.00 C ATOM 1527 NE2 HIS A 92 -8.133 26.554 -22.149 1.00 0.00 N ATOM 0 H HIS A 92 -4.706 27.703 -16.734 1.00 0.00 H new ATOM 0 HA HIS A 92 -5.048 28.172 -19.585 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -5.509 25.699 -19.192 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -6.820 26.176 -18.131 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -6.108 25.754 -21.894 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -9.971 27.469 -21.547 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -8.303 26.396 -23.142 1.00 0.00 H new ATOM 1536 N HIS A 93 -6.275 30.083 -18.520 1.00 0.00 N ATOM 1537 CA HIS A 93 -7.134 31.176 -18.074 1.00 0.00 C ATOM 1538 C HIS A 93 -8.109 31.593 -19.175 1.00 0.00 C ATOM 1539 O HIS A 93 -9.310 31.751 -18.869 1.00 0.00 O ATOM 1540 CB HIS A 93 -6.285 32.375 -17.637 1.00 0.00 C ATOM 1541 CG HIS A 93 -6.876 33.147 -16.498 1.00 0.00 C ATOM 1542 ND1 HIS A 93 -6.185 33.428 -15.336 1.00 0.00 N ATOM 1543 CD2 HIS A 93 -8.101 33.704 -16.348 1.00 0.00 C ATOM 1544 CE1 HIS A 93 -6.960 34.122 -14.523 1.00 0.00 C ATOM 1545 NE2 HIS A 93 -8.127 34.302 -15.113 1.00 0.00 N ATOM 1546 OXT HIS A 93 -7.665 31.758 -20.331 1.00 0.00 O ATOM 0 H HIS A 93 -5.520 30.370 -19.144 1.00 0.00 H new ATOM 0 HA HIS A 93 -7.715 30.823 -17.222 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -5.294 32.022 -17.350 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -6.151 33.044 -18.487 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -8.907 33.682 -17.066 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -6.686 34.481 -13.542 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -8.920 34.805 -14.715 1.00 0.00 H new TER 1555 HIS A 93