USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 706 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 106 HIS : no HD1:sc= -0.361 K(o=-1.2,f=-5.4!) USER MOD Set 1.2: A 110 HIS : no HE2:sc= -0.874 K(o=-1.2,f=-4.6!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -168:sc= 0.113 (180deg=0.0847) USER MOD Single : A 29 GLN : amide:sc= -9.71! C(o=-9.7!,f=-9!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 20:sc= 0.269 USER MOD Single : A 44 LYS NZ :NH3+ -167:sc=-0.00668 (180deg=-0.132) USER MOD Single : A 45 ASN : amide:sc= -0.0634 K(o=-0.063,f=-0.62) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc=-0.00869 X(o=-0.0087,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.191 X(o=-0.19,f=-0.026) USER MOD Single : A 52 ASN : amide:sc= -6.66! C(o=-6.7!,f=-7.8!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.0513 X(o=-0.051,f=-0.22) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot -96:sc= 0.191 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.0591 X(o=-0.059,f=-0.27) USER MOD Single : A 66 LYS NZ :NH3+ 151:sc= -0.128 (180deg=-0.701) USER MOD Single : A 70 LYS NZ :NH3+ 168:sc= -0.679 (180deg=-1.05) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 130:sc= 0 USER MOD Single : A 76 SER OG : rot 84:sc=0.000426 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0346 USER MOD Single : A 80 ASN : amide:sc= -2.7 K(o=-2.7,f=-2.1) USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 60:sc= -1.55 USER MOD Single : A 92 MET CE :methyl -156:sc= -0.0335 (180deg=-1.05) USER MOD Single : A 93 ASN : amide:sc= 0.769 K(o=0.77,f=-1.7!) USER MOD Single : A 94 ASN : amide:sc= -1.21 K(o=-1.2,f=-0.47) USER MOD Single : A 95 MET CE :methyl -165:sc= -1.19 (180deg=-2.31!) USER MOD Single : A 99 LYS NZ :NH3+ -171:sc=-0.000481 (180deg=-0.0784) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 ASN : amide:sc= -1.25 K(o=-1.3,f=-0.47!) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 27 -9.130 -14.068 -5.650 1.00 0.00 N ATOM 16 CA SER A 27 -7.814 -13.997 -6.291 1.00 0.00 C ATOM 17 C SER A 27 -7.515 -12.592 -6.816 1.00 0.00 C ATOM 18 O SER A 27 -6.363 -12.265 -7.101 1.00 0.00 O ATOM 19 CB SER A 27 -7.705 -15.012 -7.434 1.00 0.00 C ATOM 20 OG SER A 27 -6.390 -15.531 -7.534 1.00 0.00 O ATOM 0 HA SER A 27 -7.075 -14.240 -5.528 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.409 -15.827 -7.268 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.984 -14.536 -8.374 1.00 0.00 H new ATOM 0 HG SER A 27 -6.348 -16.177 -8.270 1.00 0.00 H new ATOM 25 N LYS A 28 -8.548 -11.763 -6.944 1.00 0.00 N ATOM 26 CA LYS A 28 -8.369 -10.405 -7.440 1.00 0.00 C ATOM 27 C LYS A 28 -9.117 -9.392 -6.578 1.00 0.00 C ATOM 28 O LYS A 28 -10.316 -9.530 -6.336 1.00 0.00 O ATOM 29 CB LYS A 28 -8.841 -10.303 -8.892 1.00 0.00 C ATOM 30 CG LYS A 28 -7.722 -10.460 -9.909 1.00 0.00 C ATOM 31 CD LYS A 28 -6.880 -9.198 -10.009 1.00 0.00 C ATOM 32 CE LYS A 28 -6.444 -8.932 -11.441 1.00 0.00 C ATOM 33 NZ LYS A 28 -5.570 -7.730 -11.541 1.00 0.00 N ATOM 0 H LYS A 28 -9.511 -12.007 -6.712 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.305 -10.172 -7.390 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.596 -11.068 -9.074 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.323 -9.337 -9.041 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.088 -11.301 -9.627 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.146 -10.694 -10.885 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.452 -8.347 -9.637 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.001 -9.294 -9.372 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.911 -9.801 -11.826 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.324 -8.794 -12.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.460 -7.463 -12.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.002 -6.942 -11.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.637 -7.945 -11.136 1.00 0.00 H new ATOM 47 N GLN A 29 -8.398 -8.370 -6.124 1.00 0.00 N ATOM 48 CA GLN A 29 -8.987 -7.324 -5.297 1.00 0.00 C ATOM 49 C GLN A 29 -8.307 -5.987 -5.559 1.00 0.00 C ATOM 50 O GLN A 29 -7.095 -5.927 -5.768 1.00 0.00 O ATOM 51 CB GLN A 29 -8.882 -7.686 -3.813 1.00 0.00 C ATOM 52 CG GLN A 29 -9.928 -8.691 -3.358 1.00 0.00 C ATOM 53 CD GLN A 29 -11.323 -8.099 -3.310 1.00 0.00 C ATOM 54 OE1 GLN A 29 -11.852 -7.646 -4.324 1.00 0.00 O ATOM 55 NE2 GLN A 29 -11.924 -8.098 -2.126 1.00 0.00 N ATOM 0 H GLN A 29 -7.404 -8.244 -6.316 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.041 -7.237 -5.561 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.890 -8.092 -3.616 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.979 -6.778 -3.218 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.923 -9.546 -4.034 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.662 -9.065 -2.369 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.447 -8.485 -1.312 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.863 -7.711 -2.031 1.00 0.00 H new ATOM 64 N GLU A 30 -9.096 -4.920 -5.562 1.00 0.00 N ATOM 65 CA GLU A 30 -8.566 -3.587 -5.814 1.00 0.00 C ATOM 66 C GLU A 30 -9.136 -2.567 -4.831 1.00 0.00 C ATOM 67 O GLU A 30 -10.332 -2.569 -4.541 1.00 0.00 O ATOM 68 CB GLU A 30 -8.876 -3.172 -7.255 1.00 0.00 C ATOM 69 CG GLU A 30 -10.314 -2.729 -7.476 1.00 0.00 C ATOM 70 CD GLU A 30 -10.451 -1.223 -7.581 1.00 0.00 C ATOM 71 OE1 GLU A 30 -9.883 -0.514 -6.723 1.00 0.00 O ATOM 72 OE2 GLU A 30 -11.124 -0.752 -8.522 1.00 0.00 O ATOM 0 H GLU A 30 -10.101 -4.952 -5.393 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.486 -3.614 -5.671 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.208 -2.359 -7.539 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.659 -4.009 -7.918 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.696 -3.189 -8.387 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.932 -3.090 -6.654 1.00 0.00 H new ATOM 79 N LEU A 31 -8.270 -1.694 -4.328 1.00 0.00 N ATOM 80 CA LEU A 31 -8.681 -0.662 -3.383 1.00 0.00 C ATOM 81 C LEU A 31 -8.098 0.691 -3.779 1.00 0.00 C ATOM 82 O LEU A 31 -6.883 0.886 -3.755 1.00 0.00 O ATOM 83 CB LEU A 31 -8.242 -1.033 -1.964 1.00 0.00 C ATOM 84 CG LEU A 31 -9.331 -1.668 -1.098 1.00 0.00 C ATOM 85 CD1 LEU A 31 -8.751 -2.151 0.222 1.00 0.00 C ATOM 86 CD2 LEU A 31 -10.463 -0.680 -0.856 1.00 0.00 C ATOM 0 H LEU A 31 -7.277 -1.681 -4.560 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.768 -0.590 -3.405 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.401 -1.723 -2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.879 -0.134 -1.465 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.734 -2.530 -1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.541 -2.600 0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.976 -2.893 0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.319 -1.307 0.760 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.229 -1.149 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.074 0.201 -0.346 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.898 -0.384 -1.811 1.00 0.00 H new ATOM 98 N ILE A 32 -8.974 1.619 -4.151 1.00 0.00 N ATOM 99 CA ILE A 32 -8.550 2.952 -4.563 1.00 0.00 C ATOM 100 C ILE A 32 -8.236 3.835 -3.360 1.00 0.00 C ATOM 101 O ILE A 32 -8.835 3.687 -2.295 1.00 0.00 O ATOM 102 CB ILE A 32 -9.631 3.640 -5.418 1.00 0.00 C ATOM 103 CG1 ILE A 32 -10.972 3.633 -4.686 1.00 0.00 C ATOM 104 CG2 ILE A 32 -9.754 2.951 -6.770 1.00 0.00 C ATOM 105 CD1 ILE A 32 -11.599 5.008 -4.562 1.00 0.00 C ATOM 0 H ILE A 32 -9.983 1.472 -4.175 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.645 2.824 -5.157 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.337 4.676 -5.585 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -11.662 2.974 -5.213 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -10.831 3.215 -3.689 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.522 3.448 -7.363 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.800 3.004 -7.294 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.029 1.907 -6.622 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -12.548 4.929 -4.032 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.928 5.665 -4.008 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -11.772 5.420 -5.556 1.00 0.00 H new ATOM 117 N LEU A 33 -7.297 4.759 -3.542 1.00 0.00 N ATOM 118 CA LEU A 33 -6.906 5.675 -2.478 1.00 0.00 C ATOM 119 C LEU A 33 -6.866 7.108 -2.992 1.00 0.00 C ATOM 120 O LEU A 33 -6.700 7.349 -4.189 1.00 0.00 O ATOM 121 CB LEU A 33 -5.538 5.287 -1.910 1.00 0.00 C ATOM 122 CG LEU A 33 -5.264 5.766 -0.482 1.00 0.00 C ATOM 123 CD1 LEU A 33 -4.426 4.744 0.270 1.00 0.00 C ATOM 124 CD2 LEU A 33 -4.564 7.116 -0.496 1.00 0.00 C ATOM 0 H LEU A 33 -6.793 4.892 -4.418 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.649 5.608 -1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.447 4.201 -1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.764 5.687 -2.565 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.219 5.878 0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.240 5.100 1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.960 3.795 0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.476 4.603 -0.245 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.378 7.440 0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.616 7.029 -1.027 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.196 7.848 -0.999 1.00 0.00 H new ATOM 136 N VAL A 34 -7.027 8.057 -2.078 1.00 0.00 N ATOM 137 CA VAL A 34 -7.018 9.475 -2.427 1.00 0.00 C ATOM 138 C VAL A 34 -8.283 9.864 -3.184 1.00 0.00 C ATOM 139 O VAL A 34 -8.692 9.183 -4.124 1.00 0.00 O ATOM 140 CB VAL A 34 -5.788 9.846 -3.282 1.00 0.00 C ATOM 141 CG1 VAL A 34 -5.660 11.356 -3.404 1.00 0.00 C ATOM 142 CG2 VAL A 34 -4.525 9.250 -2.693 1.00 0.00 C ATOM 0 H VAL A 34 -7.166 7.871 -1.085 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.973 10.026 -1.487 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.927 9.430 -4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.787 11.599 -4.010 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.555 11.760 -3.878 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.546 11.793 -2.412 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.670 9.524 -3.312 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.379 9.632 -1.683 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.616 8.164 -2.660 1.00 0.00 H new ATOM 152 N LEU A 35 -8.893 10.955 -2.765 1.00 0.00 N ATOM 153 CA LEU A 35 -10.109 11.441 -3.387 1.00 0.00 C ATOM 154 C LEU A 35 -9.993 12.930 -3.723 1.00 0.00 C ATOM 155 O LEU A 35 -10.217 13.339 -4.863 1.00 0.00 O ATOM 156 CB LEU A 35 -11.296 11.214 -2.447 1.00 0.00 C ATOM 157 CG LEU A 35 -12.598 10.810 -3.138 1.00 0.00 C ATOM 158 CD1 LEU A 35 -12.891 11.746 -4.302 1.00 0.00 C ATOM 159 CD2 LEU A 35 -12.524 9.366 -3.613 1.00 0.00 C ATOM 0 H LEU A 35 -8.562 11.527 -1.988 1.00 0.00 H new ATOM 0 HA LEU A 35 -10.266 10.890 -4.314 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.028 10.440 -1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -11.471 12.128 -1.880 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.413 10.890 -2.419 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.821 11.446 -4.785 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -12.987 12.767 -3.933 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.075 11.696 -5.023 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -13.460 9.096 -4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.700 9.257 -4.319 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.359 8.710 -2.758 1.00 0.00 H new ATOM 171 N LYS A 36 -9.634 13.726 -2.724 1.00 0.00 N ATOM 172 CA LYS A 36 -9.483 15.166 -2.912 1.00 0.00 C ATOM 173 C LYS A 36 -8.767 15.796 -1.721 1.00 0.00 C ATOM 174 O LYS A 36 -9.384 16.087 -0.697 1.00 0.00 O ATOM 175 CB LYS A 36 -10.849 15.817 -3.110 1.00 0.00 C ATOM 176 CG LYS A 36 -11.144 16.205 -4.546 1.00 0.00 C ATOM 177 CD LYS A 36 -11.799 17.572 -4.637 1.00 0.00 C ATOM 178 CE LYS A 36 -11.942 18.019 -6.082 1.00 0.00 C ATOM 179 NZ LYS A 36 -11.796 19.497 -6.229 1.00 0.00 N ATOM 0 H LYS A 36 -9.442 13.401 -1.776 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.878 15.334 -3.803 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -11.621 15.130 -2.764 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.910 16.707 -2.484 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.217 16.207 -5.120 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -11.797 15.458 -4.998 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.781 17.540 -4.165 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.204 18.300 -4.086 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.190 17.518 -6.692 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.917 17.712 -6.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.901 19.758 -7.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.529 19.976 -5.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.856 19.788 -5.891 1.00 0.00 H new ATOM 193 N GLY A 37 -7.464 16.006 -1.863 1.00 0.00 N ATOM 194 CA GLY A 37 -6.686 16.599 -0.792 1.00 0.00 C ATOM 195 C GLY A 37 -5.345 17.121 -1.268 1.00 0.00 C ATOM 196 O GLY A 37 -5.150 18.331 -1.388 1.00 0.00 O ATOM 0 H GLY A 37 -6.932 15.776 -2.702 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.252 17.416 -0.345 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.526 15.857 -0.010 1.00 0.00 H new ATOM 200 N GLU A 38 -4.420 16.207 -1.538 1.00 0.00 N ATOM 201 CA GLU A 38 -3.087 16.576 -2.001 1.00 0.00 C ATOM 202 C GLU A 38 -3.117 16.952 -3.480 1.00 0.00 C ATOM 203 O GLU A 38 -3.897 16.401 -4.255 1.00 0.00 O ATOM 204 CB GLU A 38 -2.107 15.433 -1.762 1.00 0.00 C ATOM 205 CG GLU A 38 -1.480 15.446 -0.386 1.00 0.00 C ATOM 206 CD GLU A 38 -1.504 14.079 0.278 1.00 0.00 C ATOM 207 OE1 GLU A 38 -2.563 13.713 0.831 1.00 0.00 O ATOM 208 OE2 GLU A 38 -0.472 13.387 0.251 1.00 0.00 O ATOM 0 H GLU A 38 -4.569 15.202 -1.444 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.753 17.444 -1.433 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.626 14.485 -1.906 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.317 15.481 -2.512 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.449 15.791 -0.464 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.009 16.162 0.244 1.00 0.00 H new ATOM 215 N LEU A 39 -2.257 17.887 -3.859 1.00 0.00 N ATOM 216 CA LEU A 39 -2.176 18.331 -5.252 1.00 0.00 C ATOM 217 C LEU A 39 -0.732 18.445 -5.701 1.00 0.00 C ATOM 218 O LEU A 39 -0.320 17.819 -6.673 1.00 0.00 O ATOM 219 CB LEU A 39 -2.885 19.672 -5.411 1.00 0.00 C ATOM 220 CG LEU A 39 -4.377 19.587 -5.745 1.00 0.00 C ATOM 221 CD1 LEU A 39 -5.202 19.527 -4.464 1.00 0.00 C ATOM 222 CD2 LEU A 39 -4.806 20.768 -6.602 1.00 0.00 C ATOM 0 H LEU A 39 -1.606 18.354 -3.228 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.668 17.589 -5.880 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.768 20.238 -4.487 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.385 20.238 -6.197 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.551 18.674 -6.315 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.261 19.467 -4.716 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.915 18.647 -3.888 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.020 20.424 -3.872 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.869 20.687 -6.827 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.619 21.696 -6.062 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.237 20.768 -7.532 1.00 0.00 H new ATOM 283 N SER A 43 4.222 11.768 -1.660 1.00 0.00 N ATOM 284 CA SER A 43 5.289 10.867 -1.243 1.00 0.00 C ATOM 285 C SER A 43 4.770 9.825 -0.253 1.00 0.00 C ATOM 286 O SER A 43 4.800 8.627 -0.526 1.00 0.00 O ATOM 287 CB SER A 43 6.438 11.655 -0.616 1.00 0.00 C ATOM 288 OG SER A 43 6.767 12.787 -1.391 1.00 0.00 O ATOM 0 HA SER A 43 5.656 10.348 -2.129 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.160 11.969 0.390 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.312 11.012 -0.519 1.00 0.00 H new ATOM 0 HG SER A 43 6.017 13.008 -1.982 1.00 0.00 H new ATOM 294 N LYS A 44 4.300 10.293 0.902 1.00 0.00 N ATOM 295 CA LYS A 44 3.777 9.404 1.937 1.00 0.00 C ATOM 296 C LYS A 44 2.794 8.387 1.357 1.00 0.00 C ATOM 297 O LYS A 44 2.639 7.295 1.900 1.00 0.00 O ATOM 298 CB LYS A 44 3.095 10.221 3.037 1.00 0.00 C ATOM 299 CG LYS A 44 3.967 10.435 4.266 1.00 0.00 C ATOM 300 CD LYS A 44 4.165 9.141 5.040 1.00 0.00 C ATOM 301 CE LYS A 44 2.911 8.759 5.812 1.00 0.00 C ATOM 302 NZ LYS A 44 2.683 9.653 6.978 1.00 0.00 N ATOM 0 H LYS A 44 4.271 11.283 1.144 1.00 0.00 H new ATOM 0 HA LYS A 44 4.618 8.855 2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.808 11.191 2.632 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.177 9.716 3.337 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.936 10.830 3.962 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.508 11.181 4.914 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.428 8.339 4.350 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.000 9.253 5.732 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.048 8.802 5.147 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.997 7.728 6.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.959 9.237 7.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.571 9.765 7.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.359 10.583 6.644 1.00 0.00 H new ATOM 316 N ASN A 45 2.145 8.756 0.263 1.00 0.00 N ATOM 317 CA ASN A 45 1.178 7.873 -0.384 1.00 0.00 C ATOM 318 C ASN A 45 1.799 6.513 -0.697 1.00 0.00 C ATOM 319 O ASN A 45 1.408 5.495 -0.125 1.00 0.00 O ATOM 320 CB ASN A 45 0.650 8.515 -1.669 1.00 0.00 C ATOM 321 CG ASN A 45 -0.700 9.175 -1.473 1.00 0.00 C ATOM 322 OD1 ASN A 45 -1.599 8.605 -0.856 1.00 0.00 O ATOM 323 ND2 ASN A 45 -0.846 10.381 -2.003 1.00 0.00 N ATOM 0 H ASN A 45 2.268 9.658 -0.197 1.00 0.00 H new ATOM 0 HA ASN A 45 0.348 7.720 0.306 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.366 9.257 -2.022 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.570 7.754 -2.446 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.733 10.876 -1.908 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.072 10.814 -2.506 1.00 0.00 H new ATOM 330 N MET A 46 2.768 6.505 -1.608 1.00 0.00 N ATOM 331 CA MET A 46 3.441 5.269 -1.996 1.00 0.00 C ATOM 332 C MET A 46 4.062 4.583 -0.783 1.00 0.00 C ATOM 333 O MET A 46 4.157 3.358 -0.730 1.00 0.00 O ATOM 334 CB MET A 46 4.519 5.556 -3.045 1.00 0.00 C ATOM 335 CG MET A 46 5.662 6.405 -2.529 1.00 0.00 C ATOM 336 SD MET A 46 5.988 7.843 -3.564 1.00 0.00 S ATOM 337 CE MET A 46 7.497 7.333 -4.381 1.00 0.00 C ATOM 0 H MET A 46 3.104 7.338 -2.090 1.00 0.00 H new ATOM 0 HA MET A 46 2.696 4.599 -2.427 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.918 4.610 -3.411 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.060 6.059 -3.896 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.433 6.737 -1.516 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.563 5.795 -2.469 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.828 8.120 -5.059 1.00 0.00 H new ATOM 0 HE2 MET A 46 8.270 7.148 -3.635 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.313 6.420 -4.948 1.00 0.00 H new ATOM 347 N LYS A 47 4.474 5.381 0.188 1.00 0.00 N ATOM 348 CA LYS A 47 5.085 4.855 1.405 1.00 0.00 C ATOM 349 C LYS A 47 4.028 4.272 2.337 1.00 0.00 C ATOM 350 O LYS A 47 4.326 3.420 3.173 1.00 0.00 O ATOM 351 CB LYS A 47 5.865 5.952 2.126 1.00 0.00 C ATOM 352 CG LYS A 47 7.023 6.506 1.315 1.00 0.00 C ATOM 353 CD LYS A 47 8.074 5.442 1.045 1.00 0.00 C ATOM 354 CE LYS A 47 9.393 6.062 0.596 1.00 0.00 C ATOM 355 NZ LYS A 47 10.526 5.111 0.741 1.00 0.00 N ATOM 0 H LYS A 47 4.398 6.398 0.160 1.00 0.00 H new ATOM 0 HA LYS A 47 5.772 4.058 1.119 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.185 6.766 2.376 1.00 0.00 H new ATOM 0 HB3 LYS A 47 6.247 5.556 3.067 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.651 6.899 0.369 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.477 7.340 1.850 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.236 4.852 1.947 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.712 4.758 0.277 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.312 6.375 -0.445 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.593 6.958 1.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.405 5.568 0.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 10.619 4.831 1.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.347 4.267 0.160 1.00 0.00 H new ATOM 369 N ASN A 48 2.787 4.733 2.183 1.00 0.00 N ATOM 370 CA ASN A 48 1.690 4.258 3.015 1.00 0.00 C ATOM 371 C ASN A 48 1.253 2.860 2.590 1.00 0.00 C ATOM 372 O ASN A 48 0.900 2.029 3.428 1.00 0.00 O ATOM 373 CB ASN A 48 0.507 5.223 2.931 1.00 0.00 C ATOM 374 CG ASN A 48 -0.547 4.938 3.983 1.00 0.00 C ATOM 375 OD1 ASN A 48 -0.488 5.463 5.095 1.00 0.00 O ATOM 376 ND2 ASN A 48 -1.518 4.101 3.637 1.00 0.00 N ATOM 0 H ASN A 48 2.520 5.433 1.491 1.00 0.00 H new ATOM 0 HA ASN A 48 2.040 4.212 4.046 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.866 6.245 3.048 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.056 5.155 1.941 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -2.254 3.870 4.304 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.528 3.689 2.704 1.00 0.00 H new ATOM 383 N VAL A 49 1.279 2.603 1.285 1.00 0.00 N ATOM 384 CA VAL A 49 0.883 1.303 0.756 1.00 0.00 C ATOM 385 C VAL A 49 1.971 0.260 0.987 1.00 0.00 C ATOM 386 O VAL A 49 1.688 -0.864 1.403 1.00 0.00 O ATOM 387 CB VAL A 49 0.570 1.373 -0.750 1.00 0.00 C ATOM 388 CG1 VAL A 49 -0.074 0.078 -1.221 1.00 0.00 C ATOM 389 CG2 VAL A 49 -0.324 2.564 -1.056 1.00 0.00 C ATOM 0 H VAL A 49 1.570 3.277 0.576 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.020 1.011 1.292 1.00 0.00 H new ATOM 0 HB VAL A 49 1.507 1.505 -1.291 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.288 0.145 -2.288 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.607 -0.754 -1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.002 -0.087 -0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.534 2.596 -2.125 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.260 2.468 -0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.180 3.483 -0.757 1.00 0.00 H new ATOM 399 N ILE A 50 3.217 0.638 0.716 1.00 0.00 N ATOM 400 CA ILE A 50 4.343 -0.269 0.895 1.00 0.00 C ATOM 401 C ILE A 50 4.455 -0.726 2.347 1.00 0.00 C ATOM 402 O ILE A 50 4.681 -1.904 2.621 1.00 0.00 O ATOM 403 CB ILE A 50 5.668 0.393 0.465 1.00 0.00 C ATOM 404 CG1 ILE A 50 6.809 -0.621 0.526 1.00 0.00 C ATOM 405 CG2 ILE A 50 5.968 1.601 1.335 1.00 0.00 C ATOM 406 CD1 ILE A 50 6.872 -1.543 -0.667 1.00 0.00 C ATOM 0 H ILE A 50 3.471 1.564 0.372 1.00 0.00 H new ATOM 0 HA ILE A 50 4.159 -1.137 0.261 1.00 0.00 H new ATOM 0 HB ILE A 50 5.569 0.737 -0.565 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.754 -0.085 0.609 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.702 -1.220 1.430 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.907 2.055 1.017 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.162 2.328 1.238 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.051 1.288 2.376 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.708 -2.233 -0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.943 -2.108 -0.740 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.011 -0.955 -1.574 1.00 0.00 H new ATOM 418 N ASN A 51 4.293 0.213 3.274 1.00 0.00 N ATOM 419 CA ASN A 51 4.373 -0.098 4.696 1.00 0.00 C ATOM 420 C ASN A 51 3.246 -1.036 5.112 1.00 0.00 C ATOM 421 O ASN A 51 3.488 -2.099 5.684 1.00 0.00 O ATOM 422 CB ASN A 51 4.319 1.184 5.526 1.00 0.00 C ATOM 423 CG ASN A 51 5.331 1.185 6.646 1.00 0.00 C ATOM 424 OD1 ASN A 51 4.991 1.369 7.817 1.00 0.00 O ATOM 425 ND2 ASN A 51 6.598 0.984 6.298 1.00 0.00 N ATOM 0 H ASN A 51 4.106 1.194 3.066 1.00 0.00 H new ATOM 0 HA ASN A 51 5.324 -0.599 4.879 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.497 2.042 4.877 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.319 1.302 5.943 1.00 0.00 H new ATOM 0 HD21 ASN A 51 7.328 0.978 7.011 1.00 0.00 H new ATOM 0 HD22 ASN A 51 6.840 0.835 5.318 1.00 0.00 H new ATOM 432 N ASN A 52 2.012 -0.636 4.820 1.00 0.00 N ATOM 433 CA ASN A 52 0.848 -1.444 5.163 1.00 0.00 C ATOM 434 C ASN A 52 0.910 -2.801 4.472 1.00 0.00 C ATOM 435 O ASN A 52 0.685 -3.838 5.096 1.00 0.00 O ATOM 436 CB ASN A 52 -0.440 -0.717 4.773 1.00 0.00 C ATOM 437 CG ASN A 52 -0.960 0.177 5.883 1.00 0.00 C ATOM 438 OD1 ASN A 52 -1.228 1.359 5.670 1.00 0.00 O ATOM 439 ND2 ASN A 52 -1.106 -0.386 7.077 1.00 0.00 N ATOM 0 H ASN A 52 1.793 0.241 4.348 1.00 0.00 H new ATOM 0 HA ASN A 52 0.851 -1.603 6.241 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.259 -0.116 3.882 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.203 -1.450 4.514 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.453 0.165 7.862 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.872 -1.370 7.209 1.00 0.00 H new ATOM 446 N ALA A 53 1.225 -2.787 3.181 1.00 0.00 N ATOM 447 CA ALA A 53 1.326 -4.018 2.407 1.00 0.00 C ATOM 448 C ALA A 53 2.345 -4.966 3.030 1.00 0.00 C ATOM 449 O ALA A 53 2.208 -6.188 2.946 1.00 0.00 O ATOM 450 CB ALA A 53 1.702 -3.706 0.967 1.00 0.00 C ATOM 0 H ALA A 53 1.415 -1.937 2.649 1.00 0.00 H new ATOM 0 HA ALA A 53 0.353 -4.510 2.416 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.774 -4.634 0.400 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.939 -3.067 0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.663 -3.192 0.945 1.00 0.00 H new ATOM 456 N LYS A 54 3.362 -4.392 3.664 1.00 0.00 N ATOM 457 CA LYS A 54 4.404 -5.181 4.311 1.00 0.00 C ATOM 458 C LYS A 54 3.879 -5.807 5.597 1.00 0.00 C ATOM 459 O LYS A 54 4.247 -6.930 5.949 1.00 0.00 O ATOM 460 CB LYS A 54 5.622 -4.307 4.614 1.00 0.00 C ATOM 461 CG LYS A 54 6.924 -5.085 4.653 1.00 0.00 C ATOM 462 CD LYS A 54 7.714 -4.924 3.364 1.00 0.00 C ATOM 463 CE LYS A 54 8.230 -3.507 3.193 1.00 0.00 C ATOM 464 NZ LYS A 54 9.718 -3.449 3.261 1.00 0.00 N ATOM 0 H LYS A 54 3.487 -3.383 3.744 1.00 0.00 H new ATOM 0 HA LYS A 54 4.703 -5.979 3.631 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.697 -3.525 3.858 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.475 -3.810 5.573 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.527 -4.744 5.494 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.712 -6.141 4.820 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.553 -5.619 3.363 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.082 -5.186 2.515 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.894 -3.111 2.235 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.805 -2.869 3.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.033 -2.465 3.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.037 -3.804 4.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.123 -4.038 2.505 1.00 0.00 H new ATOM 478 N LYS A 55 3.014 -5.077 6.293 1.00 0.00 N ATOM 479 CA LYS A 55 2.434 -5.564 7.538 1.00 0.00 C ATOM 480 C LYS A 55 1.648 -6.847 7.297 1.00 0.00 C ATOM 481 O LYS A 55 1.853 -7.850 7.979 1.00 0.00 O ATOM 482 CB LYS A 55 1.522 -4.500 8.153 1.00 0.00 C ATOM 483 CG LYS A 55 2.251 -3.526 9.062 1.00 0.00 C ATOM 484 CD LYS A 55 2.149 -3.946 10.519 1.00 0.00 C ATOM 485 CE LYS A 55 1.790 -2.770 11.414 1.00 0.00 C ATOM 486 NZ LYS A 55 0.891 -3.174 12.529 1.00 0.00 N ATOM 0 H LYS A 55 2.700 -4.147 6.016 1.00 0.00 H new ATOM 0 HA LYS A 55 3.246 -5.777 8.233 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.037 -3.943 7.352 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.734 -4.994 8.721 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.300 -3.469 8.771 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.831 -2.527 8.939 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.395 -4.726 10.622 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.098 -4.375 10.843 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.701 -2.334 11.823 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.305 -1.996 10.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.670 -2.344 13.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.010 -3.567 12.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.363 -3.894 13.112 1.00 0.00 H new ATOM 500 N ASN A 56 0.752 -6.809 6.314 1.00 0.00 N ATOM 501 CA ASN A 56 -0.061 -7.971 5.977 1.00 0.00 C ATOM 502 C ASN A 56 0.822 -9.147 5.572 1.00 0.00 C ATOM 503 O ASN A 56 0.747 -10.225 6.162 1.00 0.00 O ATOM 504 CB ASN A 56 -1.030 -7.630 4.842 1.00 0.00 C ATOM 505 CG ASN A 56 -1.978 -6.506 5.212 1.00 0.00 C ATOM 506 OD1 ASN A 56 -2.911 -6.696 5.994 1.00 0.00 O ATOM 507 ND2 ASN A 56 -1.745 -5.326 4.649 1.00 0.00 N ATOM 0 H ASN A 56 0.572 -5.986 5.738 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.634 -8.254 6.860 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.462 -7.346 3.956 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.607 -8.517 4.581 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.350 -4.532 4.859 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.961 -5.213 4.007 1.00 0.00 H new ATOM 514 N LEU A 57 1.664 -8.929 4.563 1.00 0.00 N ATOM 515 CA LEU A 57 2.569 -9.971 4.081 1.00 0.00 C ATOM 516 C LEU A 57 3.299 -10.632 5.243 1.00 0.00 C ATOM 517 O LEU A 57 3.216 -11.846 5.436 1.00 0.00 O ATOM 518 CB LEU A 57 3.585 -9.378 3.103 1.00 0.00 C ATOM 519 CG LEU A 57 3.077 -9.199 1.670 1.00 0.00 C ATOM 520 CD1 LEU A 57 3.473 -7.832 1.127 1.00 0.00 C ATOM 521 CD2 LEU A 57 3.608 -10.308 0.772 1.00 0.00 C ATOM 0 H LEU A 57 1.738 -8.042 4.064 1.00 0.00 H new ATOM 0 HA LEU A 57 1.975 -10.726 3.567 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.908 -8.408 3.482 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.465 -10.021 3.083 1.00 0.00 H new ATOM 0 HG LEU A 57 1.989 -9.259 1.682 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.103 -7.724 0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.041 -7.052 1.754 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.559 -7.740 1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.236 -10.164 -0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.698 -10.281 0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.271 -11.274 1.148 1.00 0.00 H new ATOM 533 N GLU A 58 4.011 -9.822 6.018 1.00 0.00 N ATOM 534 CA GLU A 58 4.752 -10.323 7.169 1.00 0.00 C ATOM 535 C GLU A 58 3.813 -10.992 8.166 1.00 0.00 C ATOM 536 O GLU A 58 4.210 -11.901 8.894 1.00 0.00 O ATOM 537 CB GLU A 58 5.513 -9.183 7.848 1.00 0.00 C ATOM 538 CG GLU A 58 6.751 -8.738 7.087 1.00 0.00 C ATOM 539 CD GLU A 58 7.954 -9.611 7.376 1.00 0.00 C ATOM 540 OE1 GLU A 58 8.386 -9.655 8.547 1.00 0.00 O ATOM 541 OE2 GLU A 58 8.471 -10.247 6.435 1.00 0.00 O ATOM 0 H GLU A 58 4.091 -8.816 5.870 1.00 0.00 H new ATOM 0 HA GLU A 58 5.468 -11.066 6.817 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.844 -8.331 7.966 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.806 -9.499 8.849 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.542 -8.756 6.017 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.984 -7.706 7.349 1.00 0.00 H new ATOM 548 N LYS A 59 2.561 -10.538 8.192 1.00 0.00 N ATOM 549 CA LYS A 59 1.564 -11.097 9.097 1.00 0.00 C ATOM 550 C LYS A 59 1.418 -12.597 8.876 1.00 0.00 C ATOM 551 O LYS A 59 1.228 -13.360 9.823 1.00 0.00 O ATOM 552 CB LYS A 59 0.214 -10.406 8.894 1.00 0.00 C ATOM 553 CG LYS A 59 -0.671 -10.425 10.131 1.00 0.00 C ATOM 554 CD LYS A 59 -1.411 -9.109 10.307 1.00 0.00 C ATOM 555 CE LYS A 59 -0.470 -7.991 10.728 1.00 0.00 C ATOM 556 NZ LYS A 59 -0.534 -7.734 12.194 1.00 0.00 N ATOM 0 H LYS A 59 2.215 -9.785 7.597 1.00 0.00 H new ATOM 0 HA LYS A 59 1.899 -10.927 10.120 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.386 -9.372 8.596 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.313 -10.891 8.073 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.390 -11.240 10.053 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.061 -10.622 11.013 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.903 -8.839 9.372 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.194 -9.228 11.056 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.551 -8.252 10.449 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.725 -7.079 10.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.122 -6.965 12.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.502 -7.461 12.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.266 -8.596 12.710 1.00 0.00 H new ATOM 570 N TYR A 60 1.516 -13.015 7.618 1.00 0.00 N ATOM 571 CA TYR A 60 1.402 -14.426 7.272 1.00 0.00 C ATOM 572 C TYR A 60 2.732 -15.141 7.490 1.00 0.00 C ATOM 573 O TYR A 60 2.766 -16.317 7.851 1.00 0.00 O ATOM 574 CB TYR A 60 0.957 -14.587 5.818 1.00 0.00 C ATOM 575 CG TYR A 60 -0.178 -13.668 5.426 1.00 0.00 C ATOM 576 CD1 TYR A 60 -1.496 -14.000 5.714 1.00 0.00 C ATOM 577 CD2 TYR A 60 0.069 -12.470 4.768 1.00 0.00 C ATOM 578 CE1 TYR A 60 -2.536 -13.163 5.356 1.00 0.00 C ATOM 579 CE2 TYR A 60 -0.965 -11.628 4.407 1.00 0.00 C ATOM 580 CZ TYR A 60 -2.265 -11.978 4.704 1.00 0.00 C ATOM 581 OH TYR A 60 -3.298 -11.142 4.346 1.00 0.00 O ATOM 0 H TYR A 60 1.674 -12.397 6.822 1.00 0.00 H new ATOM 0 HA TYR A 60 0.651 -14.875 7.922 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.808 -14.399 5.164 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.650 -15.620 5.653 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.711 -14.926 6.226 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.086 -12.192 4.535 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.556 -13.435 5.586 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.756 -10.700 3.895 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.550 -11.313 3.414 1.00 0.00 H new ATOM 591 N PHE A 61 3.825 -14.418 7.268 1.00 0.00 N ATOM 592 CA PHE A 61 5.161 -14.979 7.440 1.00 0.00 C ATOM 593 C PHE A 61 5.499 -15.147 8.917 1.00 0.00 C ATOM 594 O PHE A 61 6.289 -16.014 9.287 1.00 0.00 O ATOM 595 CB PHE A 61 6.206 -14.085 6.767 1.00 0.00 C ATOM 596 CG PHE A 61 7.474 -14.809 6.414 1.00 0.00 C ATOM 597 CD1 PHE A 61 8.350 -15.220 7.406 1.00 0.00 C ATOM 598 CD2 PHE A 61 7.788 -15.078 5.093 1.00 0.00 C ATOM 599 CE1 PHE A 61 9.517 -15.887 7.085 1.00 0.00 C ATOM 600 CE2 PHE A 61 8.954 -15.745 4.766 1.00 0.00 C ATOM 601 CZ PHE A 61 9.819 -16.150 5.763 1.00 0.00 C ATOM 0 H PHE A 61 3.812 -13.443 6.969 1.00 0.00 H new ATOM 0 HA PHE A 61 5.174 -15.962 6.969 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.777 -13.656 5.861 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.444 -13.254 7.431 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.118 -15.017 8.441 1.00 0.00 H new ATOM 0 HD2 PHE A 61 7.115 -14.763 4.309 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.192 -16.202 7.867 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.188 -15.949 3.732 1.00 0.00 H new ATOM 0 HZ PHE A 61 10.730 -16.672 5.510 1.00 0.00 H new ATOM 611 N LYS A 62 4.901 -14.311 9.758 1.00 0.00 N ATOM 612 CA LYS A 62 5.144 -14.370 11.194 1.00 0.00 C ATOM 613 C LYS A 62 4.198 -15.354 11.877 1.00 0.00 C ATOM 614 O LYS A 62 4.522 -15.912 12.926 1.00 0.00 O ATOM 615 CB LYS A 62 4.984 -12.980 11.815 1.00 0.00 C ATOM 616 CG LYS A 62 5.260 -12.946 13.309 1.00 0.00 C ATOM 617 CD LYS A 62 4.677 -11.700 13.949 1.00 0.00 C ATOM 618 CE LYS A 62 5.602 -11.150 15.027 1.00 0.00 C ATOM 619 NZ LYS A 62 5.674 -12.055 16.205 1.00 0.00 N ATOM 0 H LYS A 62 4.245 -13.585 9.470 1.00 0.00 H new ATOM 0 HA LYS A 62 6.166 -14.718 11.345 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.659 -12.287 11.313 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.970 -12.624 11.633 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.835 -13.832 13.780 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.336 -12.978 13.483 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.511 -10.940 13.186 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.705 -11.932 14.384 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.601 -11.011 14.613 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.249 -10.168 15.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.313 -11.647 16.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.725 -12.167 16.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.035 -12.984 15.908 1.00 0.00 H new ATOM 633 N GLU A 63 3.028 -15.559 11.281 1.00 0.00 N ATOM 634 CA GLU A 63 2.037 -16.471 11.842 1.00 0.00 C ATOM 635 C GLU A 63 2.105 -17.843 11.177 1.00 0.00 C ATOM 636 O GLU A 63 2.128 -18.870 11.856 1.00 0.00 O ATOM 637 CB GLU A 63 0.632 -15.886 11.685 1.00 0.00 C ATOM 638 CG GLU A 63 -0.253 -16.098 12.902 1.00 0.00 C ATOM 639 CD GLU A 63 -1.630 -15.485 12.737 1.00 0.00 C ATOM 640 OE1 GLU A 63 -1.787 -14.603 11.867 1.00 0.00 O ATOM 641 OE2 GLU A 63 -2.552 -15.887 13.478 1.00 0.00 O ATOM 0 H GLU A 63 2.743 -15.107 10.412 1.00 0.00 H new ATOM 0 HA GLU A 63 2.260 -16.596 12.902 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.712 -14.817 11.486 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.154 -16.337 10.815 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.356 -17.167 13.090 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.231 -15.665 13.778 1.00 0.00 H new ATOM 648 N HIS A 64 2.128 -17.857 9.849 1.00 0.00 N ATOM 649 CA HIS A 64 2.184 -19.109 9.100 1.00 0.00 C ATOM 650 C HIS A 64 3.612 -19.466 8.702 1.00 0.00 C ATOM 651 O HIS A 64 3.834 -20.388 7.917 1.00 0.00 O ATOM 652 CB HIS A 64 1.298 -19.027 7.857 1.00 0.00 C ATOM 653 CG HIS A 64 -0.164 -19.149 8.155 1.00 0.00 C ATOM 654 ND1 HIS A 64 -0.654 -19.471 9.403 1.00 0.00 N ATOM 655 CD2 HIS A 64 -1.248 -18.987 7.359 1.00 0.00 C ATOM 656 CE1 HIS A 64 -1.974 -19.506 9.360 1.00 0.00 C ATOM 657 NE2 HIS A 64 -2.359 -19.214 8.133 1.00 0.00 N ATOM 0 H HIS A 64 2.109 -17.018 9.269 1.00 0.00 H new ATOM 0 HA HIS A 64 1.813 -19.898 9.754 1.00 0.00 H new ATOM 0 HB2 HIS A 64 1.480 -18.078 7.353 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.586 -19.816 7.163 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -1.240 -18.728 6.311 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -2.627 -19.735 10.189 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.326 -19.165 7.811 1.00 0.00 H new ATOM 666 N PHE A 65 4.575 -18.735 9.246 1.00 0.00 N ATOM 667 CA PHE A 65 5.984 -18.976 8.947 1.00 0.00 C ATOM 668 C PHE A 65 6.229 -19.027 7.441 1.00 0.00 C ATOM 669 O PHE A 65 7.172 -19.669 6.976 1.00 0.00 O ATOM 670 CB PHE A 65 6.446 -20.283 9.594 1.00 0.00 C ATOM 671 CG PHE A 65 7.901 -20.284 9.969 1.00 0.00 C ATOM 672 CD1 PHE A 65 8.862 -20.710 9.066 1.00 0.00 C ATOM 673 CD2 PHE A 65 8.307 -19.858 11.224 1.00 0.00 C ATOM 674 CE1 PHE A 65 10.201 -20.712 9.408 1.00 0.00 C ATOM 675 CE2 PHE A 65 9.645 -19.859 11.572 1.00 0.00 C ATOM 676 CZ PHE A 65 10.593 -20.286 10.663 1.00 0.00 C ATOM 0 H PHE A 65 4.408 -17.968 9.898 1.00 0.00 H new ATOM 0 HA PHE A 65 6.560 -18.147 9.358 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.849 -20.468 10.487 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.256 -21.107 8.906 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.561 -21.044 8.084 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.570 -19.522 11.938 1.00 0.00 H new ATOM 0 HE1 PHE A 65 10.940 -21.046 8.695 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.949 -19.526 12.554 1.00 0.00 H new ATOM 0 HZ PHE A 65 11.639 -20.287 10.932 1.00 0.00 H new ATOM 686 N LYS A 66 5.374 -18.347 6.681 1.00 0.00 N ATOM 687 CA LYS A 66 5.499 -18.317 5.229 1.00 0.00 C ATOM 688 C LYS A 66 4.875 -17.048 4.655 1.00 0.00 C ATOM 689 O LYS A 66 3.917 -16.510 5.209 1.00 0.00 O ATOM 690 CB LYS A 66 4.831 -19.549 4.614 1.00 0.00 C ATOM 691 CG LYS A 66 5.266 -19.826 3.184 1.00 0.00 C ATOM 692 CD LYS A 66 5.828 -21.229 3.030 1.00 0.00 C ATOM 693 CE LYS A 66 6.958 -21.269 2.014 1.00 0.00 C ATOM 694 NZ LYS A 66 8.119 -20.439 2.442 1.00 0.00 N ATOM 0 H LYS A 66 4.588 -17.810 7.048 1.00 0.00 H new ATOM 0 HA LYS A 66 6.560 -18.324 4.980 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.057 -20.420 5.229 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.749 -19.415 4.637 1.00 0.00 H new ATOM 0 HG2 LYS A 66 4.416 -19.699 2.514 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.019 -19.097 2.885 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.192 -21.584 3.994 1.00 0.00 H new ATOM 0 HD3 LYS A 66 5.034 -21.908 2.719 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.282 -22.300 1.871 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.593 -20.913 1.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.995 -20.838 2.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.996 -19.466 2.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.178 -20.433 3.480 1.00 0.00 H new ATOM 708 N GLU A 67 5.427 -16.576 3.542 1.00 0.00 N ATOM 709 CA GLU A 67 4.925 -15.370 2.893 1.00 0.00 C ATOM 710 C GLU A 67 3.734 -15.689 1.996 1.00 0.00 C ATOM 711 O GLU A 67 3.866 -16.405 1.003 1.00 0.00 O ATOM 712 CB GLU A 67 6.036 -14.708 2.074 1.00 0.00 C ATOM 713 CG GLU A 67 6.181 -13.218 2.339 1.00 0.00 C ATOM 714 CD GLU A 67 7.480 -12.654 1.799 1.00 0.00 C ATOM 715 OE1 GLU A 67 7.576 -12.455 0.569 1.00 0.00 O ATOM 716 OE2 GLU A 67 8.403 -12.411 2.605 1.00 0.00 O ATOM 0 H GLU A 67 6.221 -17.010 3.071 1.00 0.00 H new ATOM 0 HA GLU A 67 4.595 -14.680 3.669 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.982 -15.202 2.295 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.836 -14.862 1.014 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.343 -12.689 1.885 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.129 -13.037 3.413 1.00 0.00 H new ATOM 723 N PHE A 68 2.571 -15.151 2.350 1.00 0.00 N ATOM 724 CA PHE A 68 1.355 -15.377 1.576 1.00 0.00 C ATOM 725 C PHE A 68 0.673 -14.055 1.237 1.00 0.00 C ATOM 726 O PHE A 68 1.031 -13.006 1.773 1.00 0.00 O ATOM 727 CB PHE A 68 0.391 -16.279 2.350 1.00 0.00 C ATOM 728 CG PHE A 68 0.471 -17.725 1.949 1.00 0.00 C ATOM 729 CD1 PHE A 68 1.494 -18.533 2.420 1.00 0.00 C ATOM 730 CD2 PHE A 68 -0.477 -18.275 1.101 1.00 0.00 C ATOM 731 CE1 PHE A 68 1.569 -19.863 2.053 1.00 0.00 C ATOM 732 CE2 PHE A 68 -0.406 -19.604 0.729 1.00 0.00 C ATOM 733 CZ PHE A 68 0.618 -20.399 1.206 1.00 0.00 C ATOM 0 H PHE A 68 2.445 -14.555 3.168 1.00 0.00 H new ATOM 0 HA PHE A 68 1.633 -15.871 0.645 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.602 -16.193 3.416 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.628 -15.924 2.198 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.241 -18.118 3.081 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.280 -17.658 0.727 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.370 -20.483 2.428 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.150 -20.021 0.066 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.675 -21.438 0.917 1.00 0.00 H new ATOM 743 N ASP A 69 -0.309 -14.112 0.343 1.00 0.00 N ATOM 744 CA ASP A 69 -1.041 -12.918 -0.068 1.00 0.00 C ATOM 745 C ASP A 69 -0.118 -11.928 -0.770 1.00 0.00 C ATOM 746 O ASP A 69 0.932 -11.563 -0.244 1.00 0.00 O ATOM 747 CB ASP A 69 -1.696 -12.253 1.144 1.00 0.00 C ATOM 748 CG ASP A 69 -2.952 -11.487 0.775 1.00 0.00 C ATOM 749 OD1 ASP A 69 -2.869 -10.596 -0.096 1.00 0.00 O ATOM 750 OD2 ASP A 69 -4.018 -11.779 1.357 1.00 0.00 O ATOM 0 H ASP A 69 -0.617 -14.972 -0.111 1.00 0.00 H new ATOM 0 HA ASP A 69 -1.817 -13.222 -0.770 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -1.942 -13.015 1.884 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -0.983 -11.573 1.611 1.00 0.00 H new ATOM 755 N LYS A 70 -0.518 -11.495 -1.963 1.00 0.00 N ATOM 756 CA LYS A 70 0.276 -10.546 -2.736 1.00 0.00 C ATOM 757 C LYS A 70 -0.475 -9.233 -2.921 1.00 0.00 C ATOM 758 O LYS A 70 -1.707 -9.204 -2.935 1.00 0.00 O ATOM 759 CB LYS A 70 0.633 -11.141 -4.100 1.00 0.00 C ATOM 760 CG LYS A 70 1.746 -10.392 -4.816 1.00 0.00 C ATOM 761 CD LYS A 70 2.781 -11.345 -5.392 1.00 0.00 C ATOM 762 CE LYS A 70 3.886 -11.641 -4.390 1.00 0.00 C ATOM 763 NZ LYS A 70 3.347 -12.204 -3.121 1.00 0.00 N ATOM 0 H LYS A 70 -1.385 -11.786 -2.414 1.00 0.00 H new ATOM 0 HA LYS A 70 1.194 -10.343 -2.184 1.00 0.00 H new ATOM 0 HB2 LYS A 70 0.933 -12.181 -3.967 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -0.256 -11.144 -4.730 1.00 0.00 H new ATOM 0 HG2 LYS A 70 1.321 -9.787 -5.617 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.229 -9.706 -4.121 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.296 -12.276 -5.686 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.213 -10.912 -6.294 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.594 -12.345 -4.828 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.437 -10.725 -4.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.129 -12.579 -2.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.857 -11.456 -2.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.678 -12.970 -3.338 1.00 0.00 H new ATOM 777 N ILE A 71 0.271 -8.142 -3.062 1.00 0.00 N ATOM 778 CA ILE A 71 -0.333 -6.830 -3.244 1.00 0.00 C ATOM 779 C ILE A 71 0.502 -5.957 -4.173 1.00 0.00 C ATOM 780 O ILE A 71 1.698 -5.761 -3.954 1.00 0.00 O ATOM 781 CB ILE A 71 -0.520 -6.106 -1.894 1.00 0.00 C ATOM 782 CG1 ILE A 71 -1.284 -4.785 -2.086 1.00 0.00 C ATOM 783 CG2 ILE A 71 0.823 -5.877 -1.216 1.00 0.00 C ATOM 784 CD1 ILE A 71 -0.445 -3.640 -2.619 1.00 0.00 C ATOM 0 H ILE A 71 1.291 -8.142 -3.054 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.311 -6.994 -3.697 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.117 -6.743 -1.241 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.115 -4.958 -2.770 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.715 -4.488 -1.130 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.668 -5.365 -0.266 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.308 -6.836 -1.037 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.456 -5.265 -1.859 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.067 -2.751 -2.722 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.371 -3.434 -1.927 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.036 -3.911 -3.592 1.00 0.00 H new ATOM 796 N SER A 72 -0.146 -5.423 -5.201 1.00 0.00 N ATOM 797 CA SER A 72 0.519 -4.554 -6.158 1.00 0.00 C ATOM 798 C SER A 72 -0.064 -3.153 -6.068 1.00 0.00 C ATOM 799 O SER A 72 -1.250 -2.947 -6.322 1.00 0.00 O ATOM 800 CB SER A 72 0.362 -5.102 -7.579 1.00 0.00 C ATOM 801 OG SER A 72 1.585 -5.028 -8.293 1.00 0.00 O ATOM 0 H SER A 72 -1.136 -5.579 -5.392 1.00 0.00 H new ATOM 0 HA SER A 72 1.582 -4.516 -5.921 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.024 -6.137 -7.537 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.406 -4.537 -8.107 1.00 0.00 H new ATOM 0 HG SER A 72 1.458 -5.386 -9.197 1.00 0.00 H new ATOM 807 N TYR A 73 0.769 -2.194 -5.688 1.00 0.00 N ATOM 808 CA TYR A 73 0.321 -0.818 -5.549 1.00 0.00 C ATOM 809 C TYR A 73 0.945 0.071 -6.618 1.00 0.00 C ATOM 810 O TYR A 73 2.016 -0.233 -7.146 1.00 0.00 O ATOM 811 CB TYR A 73 0.649 -0.303 -4.141 1.00 0.00 C ATOM 812 CG TYR A 73 2.022 0.316 -4.001 1.00 0.00 C ATOM 813 CD1 TYR A 73 3.154 -0.477 -3.854 1.00 0.00 C ATOM 814 CD2 TYR A 73 2.183 1.694 -4.016 1.00 0.00 C ATOM 815 CE1 TYR A 73 4.408 0.091 -3.726 1.00 0.00 C ATOM 816 CE2 TYR A 73 3.432 2.268 -3.890 1.00 0.00 C ATOM 817 CZ TYR A 73 4.542 1.463 -3.746 1.00 0.00 C ATOM 818 OH TYR A 73 5.789 2.031 -3.621 1.00 0.00 O ATOM 0 H TYR A 73 1.754 -2.344 -5.472 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.760 -0.786 -5.689 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.099 0.436 -3.855 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.564 -1.131 -3.437 1.00 0.00 H new ATOM 0 HD1 TYR A 73 3.053 -1.552 -3.840 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.316 2.328 -4.128 1.00 0.00 H new ATOM 0 HE1 TYR A 73 5.279 -0.537 -3.611 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.539 3.343 -3.904 1.00 0.00 H new ATOM 0 HH TYR A 73 5.922 2.688 -4.336 1.00 0.00 H new ATOM 828 N ASP A 74 0.266 1.165 -6.937 1.00 0.00 N ATOM 829 CA ASP A 74 0.752 2.091 -7.950 1.00 0.00 C ATOM 830 C ASP A 74 0.081 3.455 -7.823 1.00 0.00 C ATOM 831 O ASP A 74 -1.049 3.565 -7.348 1.00 0.00 O ATOM 832 CB ASP A 74 0.508 1.518 -9.345 1.00 0.00 C ATOM 833 CG ASP A 74 1.593 1.909 -10.326 1.00 0.00 C ATOM 834 OD1 ASP A 74 2.745 2.113 -9.891 1.00 0.00 O ATOM 835 OD2 ASP A 74 1.290 2.013 -11.535 1.00 0.00 O ATOM 0 H ASP A 74 -0.621 1.432 -6.510 1.00 0.00 H new ATOM 0 HA ASP A 74 1.823 2.225 -7.796 1.00 0.00 H new ATOM 0 HB2 ASP A 74 0.451 0.431 -9.284 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.456 1.867 -9.715 1.00 0.00 H new ATOM 840 N ILE A 75 0.789 4.493 -8.259 1.00 0.00 N ATOM 841 CA ILE A 75 0.271 5.853 -8.200 1.00 0.00 C ATOM 842 C ILE A 75 -0.121 6.353 -9.584 1.00 0.00 C ATOM 843 O ILE A 75 0.410 5.889 -10.595 1.00 0.00 O ATOM 844 CB ILE A 75 1.304 6.821 -7.590 1.00 0.00 C ATOM 845 CG1 ILE A 75 1.842 6.262 -6.270 1.00 0.00 C ATOM 846 CG2 ILE A 75 0.685 8.196 -7.381 1.00 0.00 C ATOM 847 CD1 ILE A 75 3.131 5.485 -6.429 1.00 0.00 C ATOM 0 H ILE A 75 1.725 4.416 -8.658 1.00 0.00 H new ATOM 0 HA ILE A 75 -0.613 5.827 -7.563 1.00 0.00 H new ATOM 0 HB ILE A 75 2.138 6.924 -8.284 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.006 7.085 -5.575 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.088 5.614 -5.824 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.427 8.867 -6.950 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.349 8.593 -8.339 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.166 8.113 -6.705 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.457 5.117 -5.456 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.967 4.641 -7.099 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.899 6.136 -6.846 1.00 0.00 H new ATOM 859 N SER A 76 -1.050 7.301 -9.625 1.00 0.00 N ATOM 860 CA SER A 76 -1.509 7.868 -10.890 1.00 0.00 C ATOM 861 C SER A 76 -1.296 9.381 -10.924 1.00 0.00 C ATOM 862 O SER A 76 -1.963 10.124 -10.203 1.00 0.00 O ATOM 863 CB SER A 76 -2.986 7.548 -11.119 1.00 0.00 C ATOM 864 OG SER A 76 -3.275 6.204 -10.761 1.00 0.00 O ATOM 0 H SER A 76 -1.501 7.694 -8.798 1.00 0.00 H new ATOM 0 HA SER A 76 -0.920 7.417 -11.688 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.605 8.226 -10.531 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.240 7.712 -12.166 1.00 0.00 H new ATOM 0 HG SER A 76 -3.432 6.149 -9.795 1.00 0.00 H new ATOM 870 N THR A 77 -0.362 9.824 -11.752 1.00 0.00 N ATOM 871 CA THR A 77 -0.057 11.246 -11.874 1.00 0.00 C ATOM 872 C THR A 77 -1.049 11.949 -12.801 1.00 0.00 C ATOM 873 O THR A 77 -1.599 12.984 -12.452 1.00 0.00 O ATOM 874 CB THR A 77 1.368 11.439 -12.393 1.00 0.00 C ATOM 875 OG1 THR A 77 2.139 10.266 -12.207 1.00 0.00 O ATOM 876 CG2 THR A 77 2.101 12.581 -11.723 1.00 0.00 C ATOM 0 H THR A 77 0.200 9.220 -12.352 1.00 0.00 H new ATOM 0 HA THR A 77 -0.142 11.692 -10.883 1.00 0.00 H new ATOM 0 HB THR A 77 1.256 11.671 -13.452 1.00 0.00 H new ATOM 0 HG1 THR A 77 3.046 10.413 -12.548 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.106 12.662 -12.138 1.00 0.00 H new ATOM 0 HG22 THR A 77 1.561 13.512 -11.896 1.00 0.00 H new ATOM 0 HG23 THR A 77 2.166 12.393 -10.651 1.00 0.00 H new ATOM 884 N PRO A 78 -1.283 11.392 -14.006 1.00 0.00 N ATOM 885 CA PRO A 78 -2.212 11.974 -14.975 1.00 0.00 C ATOM 886 C PRO A 78 -3.545 12.369 -14.360 1.00 0.00 C ATOM 887 O PRO A 78 -4.227 13.266 -14.852 1.00 0.00 O ATOM 888 CB PRO A 78 -2.405 10.850 -15.994 1.00 0.00 C ATOM 889 CG PRO A 78 -1.137 10.071 -15.936 1.00 0.00 C ATOM 890 CD PRO A 78 -0.662 10.151 -14.510 1.00 0.00 C ATOM 0 HA PRO A 78 -1.822 12.899 -15.399 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -3.264 10.229 -15.741 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.581 11.247 -16.994 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -1.302 9.036 -16.234 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.394 10.485 -16.618 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.978 9.282 -13.933 1.00 0.00 H new ATOM 0 HD3 PRO A 78 0.426 10.195 -14.452 1.00 0.00 H new ATOM 898 N ILE A 79 -3.924 11.696 -13.274 1.00 0.00 N ATOM 899 CA ILE A 79 -5.185 11.986 -12.595 1.00 0.00 C ATOM 900 C ILE A 79 -4.991 12.154 -11.090 1.00 0.00 C ATOM 901 O ILE A 79 -5.958 12.166 -10.339 1.00 0.00 O ATOM 902 CB ILE A 79 -6.219 10.877 -12.854 1.00 0.00 C ATOM 903 CG1 ILE A 79 -6.276 10.525 -14.339 1.00 0.00 C ATOM 904 CG2 ILE A 79 -7.590 11.306 -12.353 1.00 0.00 C ATOM 905 CD1 ILE A 79 -6.984 9.212 -14.618 1.00 0.00 C ATOM 0 H ILE A 79 -3.377 10.948 -12.847 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.554 12.926 -13.005 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.912 9.986 -12.306 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.785 11.326 -14.876 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.261 10.473 -14.732 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.312 10.512 -12.543 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -7.541 11.503 -11.282 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.901 12.211 -12.875 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -6.989 9.022 -15.691 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.462 8.402 -14.109 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.010 9.268 -14.255 1.00 0.00 H new ATOM 917 N ASN A 80 -3.736 12.285 -10.659 1.00 0.00 N ATOM 918 CA ASN A 80 -3.408 12.455 -9.249 1.00 0.00 C ATOM 919 C ASN A 80 -4.226 11.505 -8.367 1.00 0.00 C ATOM 920 O ASN A 80 -4.547 11.820 -7.221 1.00 0.00 O ATOM 921 CB ASN A 80 -3.652 13.903 -8.812 1.00 0.00 C ATOM 922 CG ASN A 80 -5.110 14.309 -8.909 1.00 0.00 C ATOM 923 OD1 ASN A 80 -5.883 14.090 -7.978 1.00 0.00 O ATOM 924 ND2 ASN A 80 -5.491 14.889 -10.034 1.00 0.00 N ATOM 0 H ASN A 80 -2.924 12.276 -11.276 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.352 12.215 -9.126 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -3.312 14.030 -7.784 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -3.052 14.570 -9.431 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -6.462 15.175 -10.157 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -4.814 15.050 -10.779 1.00 0.00 H new ATOM 931 N PHE A 81 -4.555 10.345 -8.919 1.00 0.00 N ATOM 932 CA PHE A 81 -5.326 9.342 -8.190 1.00 0.00 C ATOM 933 C PHE A 81 -4.457 8.156 -7.799 1.00 0.00 C ATOM 934 O PHE A 81 -3.341 8.013 -8.307 1.00 0.00 O ATOM 935 CB PHE A 81 -6.512 8.873 -9.037 1.00 0.00 C ATOM 936 CG PHE A 81 -7.572 8.157 -8.244 1.00 0.00 C ATOM 937 CD1 PHE A 81 -8.544 8.878 -7.568 1.00 0.00 C ATOM 938 CD2 PHE A 81 -7.598 6.772 -8.184 1.00 0.00 C ATOM 939 CE1 PHE A 81 -9.519 8.222 -6.844 1.00 0.00 C ATOM 940 CE2 PHE A 81 -8.571 6.119 -7.466 1.00 0.00 C ATOM 941 CZ PHE A 81 -9.536 6.845 -6.791 1.00 0.00 C ATOM 0 H PHE A 81 -4.301 10.073 -9.869 1.00 0.00 H new ATOM 0 HA PHE A 81 -5.699 9.801 -7.275 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.960 9.736 -9.530 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -6.148 8.211 -9.822 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -8.538 9.957 -7.608 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -6.846 6.200 -8.707 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -10.271 8.790 -6.317 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -8.582 5.040 -7.429 1.00 0.00 H new ATOM 0 HZ PHE A 81 -10.300 6.334 -6.224 1.00 0.00 H new ATOM 951 N LEU A 82 -4.960 7.313 -6.915 1.00 0.00 N ATOM 952 CA LEU A 82 -4.210 6.142 -6.475 1.00 0.00 C ATOM 953 C LEU A 82 -4.984 4.856 -6.747 1.00 0.00 C ATOM 954 O LEU A 82 -6.189 4.780 -6.508 1.00 0.00 O ATOM 955 CB LEU A 82 -3.877 6.250 -4.985 1.00 0.00 C ATOM 956 CG LEU A 82 -2.418 5.958 -4.626 1.00 0.00 C ATOM 957 CD1 LEU A 82 -1.512 7.068 -5.135 1.00 0.00 C ATOM 958 CD2 LEU A 82 -2.262 5.787 -3.123 1.00 0.00 C ATOM 0 H LEU A 82 -5.880 7.413 -6.487 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.282 6.107 -7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.125 7.255 -4.644 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.516 5.560 -4.434 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.124 5.026 -5.109 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.478 6.844 -4.871 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.602 7.143 -6.219 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.806 8.014 -4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -1.218 5.580 -2.887 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.574 6.701 -2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.882 4.957 -2.785 1.00 0.00 H new ATOM 970 N CYS A 83 -4.277 3.846 -7.246 1.00 0.00 N ATOM 971 CA CYS A 83 -4.891 2.558 -7.550 1.00 0.00 C ATOM 972 C CYS A 83 -4.060 1.416 -6.977 1.00 0.00 C ATOM 973 O CYS A 83 -2.914 1.209 -7.380 1.00 0.00 O ATOM 974 CB CYS A 83 -5.045 2.386 -9.063 1.00 0.00 C ATOM 975 SG CYS A 83 -6.473 1.390 -9.551 1.00 0.00 S ATOM 0 H CYS A 83 -3.278 3.895 -7.448 1.00 0.00 H new ATOM 0 HA CYS A 83 -5.878 2.534 -7.089 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -5.128 3.371 -9.523 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -4.141 1.924 -9.459 1.00 0.00 H new ATOM 0 HG CYS A 83 -6.519 1.304 -10.847 1.00 0.00 H new ATOM 981 N ILE A 84 -4.637 0.680 -6.033 1.00 0.00 N ATOM 982 CA ILE A 84 -3.938 -0.435 -5.407 1.00 0.00 C ATOM 983 C ILE A 84 -4.566 -1.768 -5.784 1.00 0.00 C ATOM 984 O ILE A 84 -5.498 -2.237 -5.131 1.00 0.00 O ATOM 985 CB ILE A 84 -3.912 -0.296 -3.867 1.00 0.00 C ATOM 986 CG1 ILE A 84 -3.312 1.049 -3.462 1.00 0.00 C ATOM 987 CG2 ILE A 84 -3.128 -1.439 -3.238 1.00 0.00 C ATOM 988 CD1 ILE A 84 -2.169 1.472 -4.344 1.00 0.00 C ATOM 0 H ILE A 84 -5.584 0.835 -5.686 1.00 0.00 H new ATOM 0 HA ILE A 84 -2.914 -0.410 -5.779 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.938 -0.342 -3.502 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.090 1.812 -3.494 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.965 0.990 -2.430 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.122 -1.323 -2.154 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.596 -2.388 -3.498 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.104 -1.426 -3.610 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.785 2.435 -4.006 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.375 0.727 -4.293 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.517 1.562 -5.373 1.00 0.00 H new ATOM 1000 N PHE A 85 -4.035 -2.382 -6.836 1.00 0.00 N ATOM 1001 CA PHE A 85 -4.532 -3.669 -7.291 1.00 0.00 C ATOM 1002 C PHE A 85 -3.873 -4.793 -6.502 1.00 0.00 C ATOM 1003 O PHE A 85 -2.863 -5.353 -6.925 1.00 0.00 O ATOM 1004 CB PHE A 85 -4.266 -3.847 -8.788 1.00 0.00 C ATOM 1005 CG PHE A 85 -5.517 -3.965 -9.610 1.00 0.00 C ATOM 1006 CD1 PHE A 85 -6.442 -4.964 -9.349 1.00 0.00 C ATOM 1007 CD2 PHE A 85 -5.769 -3.077 -10.643 1.00 0.00 C ATOM 1008 CE1 PHE A 85 -7.594 -5.076 -10.104 1.00 0.00 C ATOM 1009 CE2 PHE A 85 -6.920 -3.183 -11.401 1.00 0.00 C ATOM 1010 CZ PHE A 85 -7.834 -4.183 -11.131 1.00 0.00 C ATOM 0 H PHE A 85 -3.262 -2.008 -7.387 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.609 -3.705 -7.124 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.683 -3.000 -9.148 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.658 -4.739 -8.937 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -6.260 -5.663 -8.546 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.058 -2.293 -10.859 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -8.306 -5.860 -9.892 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -7.105 -2.485 -12.204 1.00 0.00 H new ATOM 0 HZ PHE A 85 -8.734 -4.267 -11.721 1.00 0.00 H new ATOM 1020 N ILE A 86 -4.450 -5.103 -5.349 1.00 0.00 N ATOM 1021 CA ILE A 86 -3.925 -6.151 -4.476 1.00 0.00 C ATOM 1022 C ILE A 86 -4.404 -7.542 -4.910 1.00 0.00 C ATOM 1023 O ILE A 86 -5.568 -7.892 -4.714 1.00 0.00 O ATOM 1024 CB ILE A 86 -4.350 -5.914 -3.009 1.00 0.00 C ATOM 1025 CG1 ILE A 86 -3.735 -6.973 -2.092 1.00 0.00 C ATOM 1026 CG2 ILE A 86 -5.867 -5.917 -2.881 1.00 0.00 C ATOM 1027 CD1 ILE A 86 -3.731 -6.579 -0.630 1.00 0.00 C ATOM 0 H ILE A 86 -5.287 -4.642 -4.992 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.839 -6.109 -4.555 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.981 -4.935 -2.702 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.287 -7.906 -2.207 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.711 -7.167 -2.410 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -6.145 -5.749 -1.841 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.286 -5.125 -3.501 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.258 -6.880 -3.209 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.281 -7.377 -0.039 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.155 -5.663 -0.502 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.755 -6.413 -0.295 1.00 0.00 H new ATOM 1039 N PRO A 87 -3.511 -8.360 -5.509 1.00 0.00 N ATOM 1040 CA PRO A 87 -3.848 -9.705 -5.962 1.00 0.00 C ATOM 1041 C PRO A 87 -3.754 -10.725 -4.833 1.00 0.00 C ATOM 1042 O PRO A 87 -2.676 -10.962 -4.287 1.00 0.00 O ATOM 1043 CB PRO A 87 -2.795 -10.005 -7.043 1.00 0.00 C ATOM 1044 CG PRO A 87 -1.866 -8.827 -7.065 1.00 0.00 C ATOM 1045 CD PRO A 87 -2.111 -8.053 -5.801 1.00 0.00 C ATOM 0 HA PRO A 87 -4.873 -9.766 -6.328 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.254 -10.923 -6.814 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -3.266 -10.147 -8.016 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.828 -9.155 -7.122 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -2.052 -8.205 -7.941 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.449 -8.371 -4.995 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.951 -6.984 -5.942 1.00 0.00 H new ATOM 1053 N THR A 88 -4.885 -11.327 -4.484 1.00 0.00 N ATOM 1054 CA THR A 88 -4.911 -12.317 -3.412 1.00 0.00 C ATOM 1055 C THR A 88 -6.150 -13.203 -3.506 1.00 0.00 C ATOM 1056 O THR A 88 -7.232 -12.741 -3.867 1.00 0.00 O ATOM 1057 CB THR A 88 -4.862 -11.620 -2.049 1.00 0.00 C ATOM 1058 OG1 THR A 88 -4.754 -12.571 -1.005 1.00 0.00 O ATOM 1059 CG2 THR A 88 -6.079 -10.765 -1.768 1.00 0.00 C ATOM 0 H THR A 88 -5.789 -11.150 -4.923 1.00 0.00 H new ATOM 0 HA THR A 88 -4.033 -12.954 -3.520 1.00 0.00 H new ATOM 0 HB THR A 88 -3.986 -10.972 -2.087 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.935 -13.096 -1.124 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.979 -10.301 -0.787 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.163 -9.990 -2.529 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.973 -11.388 -1.785 1.00 0.00 H new ATOM 1067 N LEU A 89 -5.978 -14.481 -3.177 1.00 0.00 N ATOM 1068 CA LEU A 89 -7.076 -15.442 -3.224 1.00 0.00 C ATOM 1069 C LEU A 89 -7.876 -15.435 -1.924 1.00 0.00 C ATOM 1070 O LEU A 89 -8.997 -15.939 -1.876 1.00 0.00 O ATOM 1071 CB LEU A 89 -6.535 -16.847 -3.492 1.00 0.00 C ATOM 1072 CG LEU A 89 -7.600 -17.939 -3.615 1.00 0.00 C ATOM 1073 CD1 LEU A 89 -8.425 -17.739 -4.876 1.00 0.00 C ATOM 1074 CD2 LEU A 89 -6.953 -19.316 -3.610 1.00 0.00 C ATOM 0 H LEU A 89 -5.087 -14.875 -2.875 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.742 -15.149 -4.035 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.951 -16.825 -4.412 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.852 -17.116 -2.687 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.267 -17.870 -2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.177 -18.525 -4.947 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.917 -16.767 -4.838 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.773 -17.781 -5.748 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.725 -20.081 -3.698 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.264 -19.397 -4.451 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.406 -19.458 -2.678 1.00 0.00 H new ATOM 1086 N PHE A 90 -7.296 -14.864 -0.870 1.00 0.00 N ATOM 1087 CA PHE A 90 -7.962 -14.798 0.426 1.00 0.00 C ATOM 1088 C PHE A 90 -8.197 -16.199 0.984 1.00 0.00 C ATOM 1089 O PHE A 90 -8.797 -17.050 0.329 1.00 0.00 O ATOM 1090 CB PHE A 90 -9.286 -14.035 0.306 1.00 0.00 C ATOM 1091 CG PHE A 90 -10.254 -14.295 1.428 1.00 0.00 C ATOM 1092 CD1 PHE A 90 -9.898 -14.039 2.742 1.00 0.00 C ATOM 1093 CD2 PHE A 90 -11.520 -14.796 1.166 1.00 0.00 C ATOM 1094 CE1 PHE A 90 -10.786 -14.276 3.774 1.00 0.00 C ATOM 1095 CE2 PHE A 90 -12.412 -15.035 2.194 1.00 0.00 C ATOM 1096 CZ PHE A 90 -12.044 -14.775 3.499 1.00 0.00 C ATOM 0 H PHE A 90 -6.368 -14.442 -0.889 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.315 -14.261 1.119 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -9.074 -12.967 0.265 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -9.762 -14.302 -0.638 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -8.915 -13.650 2.963 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -11.812 -15.002 0.147 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -10.497 -14.071 4.794 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -13.396 -15.425 1.977 1.00 0.00 H new ATOM 0 HZ PHE A 90 -12.739 -14.962 4.304 1.00 0.00 H new ATOM 1106 N ASP A 91 -7.715 -16.426 2.201 1.00 0.00 N ATOM 1107 CA ASP A 91 -7.864 -17.720 2.861 1.00 0.00 C ATOM 1108 C ASP A 91 -7.072 -17.754 4.165 1.00 0.00 C ATOM 1109 O ASP A 91 -7.499 -18.359 5.147 1.00 0.00 O ATOM 1110 CB ASP A 91 -7.400 -18.850 1.937 1.00 0.00 C ATOM 1111 CG ASP A 91 -8.501 -19.855 1.657 1.00 0.00 C ATOM 1112 OD1 ASP A 91 -9.378 -19.556 0.820 1.00 0.00 O ATOM 1113 OD2 ASP A 91 -8.484 -20.941 2.273 1.00 0.00 O ATOM 0 H ASP A 91 -7.216 -15.729 2.753 1.00 0.00 H new ATOM 0 HA ASP A 91 -8.920 -17.864 3.090 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -7.051 -18.426 0.996 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -6.551 -19.362 2.391 1.00 0.00 H new ATOM 1118 N MET A 92 -5.914 -17.100 4.162 1.00 0.00 N ATOM 1119 CA MET A 92 -5.059 -17.054 5.342 1.00 0.00 C ATOM 1120 C MET A 92 -5.791 -16.420 6.521 1.00 0.00 C ATOM 1121 O MET A 92 -5.928 -17.031 7.580 1.00 0.00 O ATOM 1122 CB MET A 92 -3.778 -16.275 5.041 1.00 0.00 C ATOM 1123 CG MET A 92 -3.021 -16.794 3.829 1.00 0.00 C ATOM 1124 SD MET A 92 -3.292 -15.790 2.355 1.00 0.00 S ATOM 1125 CE MET A 92 -3.868 -17.032 1.200 1.00 0.00 C ATOM 0 H MET A 92 -5.547 -16.595 3.355 1.00 0.00 H new ATOM 0 HA MET A 92 -4.797 -18.078 5.610 1.00 0.00 H new ATOM 0 HB2 MET A 92 -4.029 -15.227 4.880 1.00 0.00 H new ATOM 0 HB3 MET A 92 -3.124 -16.316 5.912 1.00 0.00 H new ATOM 0 HG2 MET A 92 -1.955 -16.819 4.055 1.00 0.00 H new ATOM 0 HG3 MET A 92 -3.328 -17.820 3.626 1.00 0.00 H new ATOM 0 HE1 MET A 92 -3.676 -16.697 0.180 1.00 0.00 H new ATOM 0 HE2 MET A 92 -3.340 -17.969 1.380 1.00 0.00 H new ATOM 0 HE3 MET A 92 -4.938 -17.187 1.336 1.00 0.00 H new ATOM 1135 N ASN A 93 -6.261 -15.192 6.327 1.00 0.00 N ATOM 1136 CA ASN A 93 -6.981 -14.478 7.375 1.00 0.00 C ATOM 1137 C ASN A 93 -8.207 -15.267 7.829 1.00 0.00 C ATOM 1138 O ASN A 93 -8.666 -15.122 8.961 1.00 0.00 O ATOM 1139 CB ASN A 93 -7.406 -13.094 6.878 1.00 0.00 C ATOM 1140 CG ASN A 93 -6.281 -12.082 6.957 1.00 0.00 C ATOM 1141 OD1 ASN A 93 -5.178 -12.396 7.404 1.00 0.00 O ATOM 1142 ND2 ASN A 93 -6.554 -10.857 6.523 1.00 0.00 N ATOM 0 H ASN A 93 -6.157 -14.672 5.456 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.311 -14.361 8.227 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -7.750 -13.171 5.847 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -8.250 -12.742 7.470 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.836 -10.134 6.553 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -7.482 -10.640 6.160 1.00 0.00 H new ATOM 1149 N ASN A 94 -8.731 -16.103 6.936 1.00 0.00 N ATOM 1150 CA ASN A 94 -9.903 -16.918 7.243 1.00 0.00 C ATOM 1151 C ASN A 94 -11.055 -16.059 7.756 1.00 0.00 C ATOM 1152 O ASN A 94 -11.902 -16.530 8.515 1.00 0.00 O ATOM 1153 CB ASN A 94 -9.547 -17.985 8.280 1.00 0.00 C ATOM 1154 CG ASN A 94 -8.748 -19.128 7.684 1.00 0.00 C ATOM 1155 OD1 ASN A 94 -7.669 -19.465 8.171 1.00 0.00 O ATOM 1156 ND2 ASN A 94 -9.275 -19.728 6.625 1.00 0.00 N ATOM 0 H ASN A 94 -8.362 -16.234 5.994 1.00 0.00 H new ATOM 0 HA ASN A 94 -10.224 -17.404 6.322 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.974 -17.527 9.086 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -10.463 -18.377 8.722 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -8.783 -20.503 6.180 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -10.173 -19.415 6.255 1.00 0.00 H new ATOM 1163 N MET A 95 -11.085 -14.798 7.336 1.00 0.00 N ATOM 1164 CA MET A 95 -12.136 -13.878 7.754 1.00 0.00 C ATOM 1165 C MET A 95 -12.202 -12.665 6.831 1.00 0.00 C ATOM 1166 O MET A 95 -13.080 -12.572 5.974 1.00 0.00 O ATOM 1167 CB MET A 95 -11.904 -13.427 9.198 1.00 0.00 C ATOM 1168 CG MET A 95 -12.726 -14.202 10.216 1.00 0.00 C ATOM 1169 SD MET A 95 -11.765 -14.689 11.664 1.00 0.00 S ATOM 1170 CE MET A 95 -11.403 -16.398 11.270 1.00 0.00 C ATOM 0 H MET A 95 -10.393 -14.390 6.707 1.00 0.00 H new ATOM 0 HA MET A 95 -13.088 -14.405 7.694 1.00 0.00 H new ATOM 0 HB2 MET A 95 -10.846 -13.536 9.439 1.00 0.00 H new ATOM 0 HB3 MET A 95 -12.143 -12.367 9.282 1.00 0.00 H new ATOM 0 HG2 MET A 95 -13.571 -13.592 10.535 1.00 0.00 H new ATOM 0 HG3 MET A 95 -13.137 -15.093 9.742 1.00 0.00 H new ATOM 0 HE1 MET A 95 -11.053 -16.912 12.166 1.00 0.00 H new ATOM 0 HE2 MET A 95 -12.305 -16.885 10.901 1.00 0.00 H new ATOM 0 HE3 MET A 95 -10.629 -16.439 10.503 1.00 0.00 H new ATOM 1180 N ASP A 96 -11.268 -11.736 7.013 1.00 0.00 N ATOM 1181 CA ASP A 96 -11.223 -10.528 6.196 1.00 0.00 C ATOM 1182 C ASP A 96 -9.883 -10.406 5.476 1.00 0.00 C ATOM 1183 O ASP A 96 -9.045 -11.304 5.548 1.00 0.00 O ATOM 1184 CB ASP A 96 -11.461 -9.292 7.065 1.00 0.00 C ATOM 1185 CG ASP A 96 -10.420 -9.141 8.155 1.00 0.00 C ATOM 1186 OD1 ASP A 96 -10.594 -9.751 9.232 1.00 0.00 O ATOM 1187 OD2 ASP A 96 -9.430 -8.412 7.935 1.00 0.00 O ATOM 0 H ASP A 96 -10.533 -11.797 7.718 1.00 0.00 H new ATOM 0 HA ASP A 96 -12.012 -10.597 5.447 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -11.455 -8.402 6.435 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -12.450 -9.355 7.518 1.00 0.00 H new ATOM 1192 N LEU A 97 -9.691 -9.289 4.781 1.00 0.00 N ATOM 1193 CA LEU A 97 -8.452 -9.050 4.048 1.00 0.00 C ATOM 1194 C LEU A 97 -8.345 -7.594 3.602 1.00 0.00 C ATOM 1195 O LEU A 97 -7.261 -7.011 3.612 1.00 0.00 O ATOM 1196 CB LEU A 97 -8.360 -9.980 2.834 1.00 0.00 C ATOM 1197 CG LEU A 97 -9.498 -9.845 1.818 1.00 0.00 C ATOM 1198 CD1 LEU A 97 -8.978 -10.039 0.401 1.00 0.00 C ATOM 1199 CD2 LEU A 97 -10.605 -10.842 2.123 1.00 0.00 C ATOM 0 H LEU A 97 -10.376 -8.536 4.710 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.621 -9.261 4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -7.415 -9.792 2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -8.331 -11.011 3.188 1.00 0.00 H new ATOM 0 HG LEU A 97 -9.910 -8.839 1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.802 -9.939 -0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.221 -9.285 0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -8.538 -11.032 0.308 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -11.405 -10.732 1.391 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -10.206 -11.855 2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.998 -10.654 3.122 1.00 0.00 H new ATOM 1211 N LEU A 98 -9.474 -7.009 3.210 1.00 0.00 N ATOM 1212 CA LEU A 98 -9.500 -5.622 2.760 1.00 0.00 C ATOM 1213 C LEU A 98 -9.702 -4.664 3.931 1.00 0.00 C ATOM 1214 O LEU A 98 -9.392 -3.477 3.832 1.00 0.00 O ATOM 1215 CB LEU A 98 -10.610 -5.420 1.727 1.00 0.00 C ATOM 1216 CG LEU A 98 -10.679 -6.490 0.633 1.00 0.00 C ATOM 1217 CD1 LEU A 98 -11.796 -7.480 0.923 1.00 0.00 C ATOM 1218 CD2 LEU A 98 -10.877 -5.846 -0.732 1.00 0.00 C ATOM 0 H LEU A 98 -10.382 -7.474 3.195 1.00 0.00 H new ATOM 0 HA LEU A 98 -8.536 -5.402 2.301 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -11.568 -5.391 2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -10.473 -4.447 1.255 1.00 0.00 H new ATOM 0 HG LEU A 98 -9.734 -7.033 0.624 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -11.829 -8.232 0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -11.612 -7.966 1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -12.749 -6.952 0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -10.924 -6.621 -1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -11.807 -5.277 -0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -10.042 -5.178 -0.943 1.00 0.00 H new ATOM 1230 N LYS A 99 -10.225 -5.182 5.039 1.00 0.00 N ATOM 1231 CA LYS A 99 -10.471 -4.368 6.225 1.00 0.00 C ATOM 1232 C LYS A 99 -9.205 -3.635 6.668 1.00 0.00 C ATOM 1233 O LYS A 99 -9.278 -2.578 7.295 1.00 0.00 O ATOM 1234 CB LYS A 99 -10.995 -5.241 7.367 1.00 0.00 C ATOM 1235 CG LYS A 99 -12.205 -4.655 8.075 1.00 0.00 C ATOM 1236 CD LYS A 99 -12.138 -4.881 9.577 1.00 0.00 C ATOM 1237 CE LYS A 99 -13.334 -4.269 10.287 1.00 0.00 C ATOM 1238 NZ LYS A 99 -13.293 -2.786 10.253 1.00 0.00 N ATOM 0 H LYS A 99 -10.487 -6.163 5.140 1.00 0.00 H new ATOM 0 HA LYS A 99 -11.223 -3.622 5.968 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.256 -6.223 6.972 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -10.197 -5.391 8.094 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.265 -3.586 7.870 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -13.114 -5.108 7.678 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.099 -5.951 9.784 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -11.219 -4.447 9.971 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -14.254 -4.618 9.818 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -13.355 -4.609 11.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -14.036 -2.404 10.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -12.363 -2.457 10.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -13.451 -2.457 9.279 1.00 0.00 H new ATOM 1252 N GLN A 100 -8.048 -4.199 6.338 1.00 0.00 N ATOM 1253 CA GLN A 100 -6.773 -3.594 6.706 1.00 0.00 C ATOM 1254 C GLN A 100 -6.377 -2.519 5.701 1.00 0.00 C ATOM 1255 O GLN A 100 -5.925 -1.437 6.077 1.00 0.00 O ATOM 1256 CB GLN A 100 -5.681 -4.662 6.788 1.00 0.00 C ATOM 1257 CG GLN A 100 -6.071 -5.866 7.628 1.00 0.00 C ATOM 1258 CD GLN A 100 -5.467 -5.827 9.018 1.00 0.00 C ATOM 1259 OE1 GLN A 100 -5.997 -5.176 9.919 1.00 0.00 O ATOM 1260 NE2 GLN A 100 -4.353 -6.524 9.201 1.00 0.00 N ATOM 0 H GLN A 100 -7.967 -5.072 5.817 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.887 -3.129 7.685 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.435 -4.997 5.780 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.778 -4.216 7.205 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -7.157 -5.912 7.709 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.751 -6.777 7.122 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.947 -7.050 8.427 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.902 -6.534 10.116 1.00 0.00 H new ATOM 1269 N ALA A 101 -6.554 -2.825 4.422 1.00 0.00 N ATOM 1270 CA ALA A 101 -6.220 -1.889 3.357 1.00 0.00 C ATOM 1271 C ALA A 101 -7.261 -0.777 3.258 1.00 0.00 C ATOM 1272 O ALA A 101 -6.962 0.330 2.809 1.00 0.00 O ATOM 1273 CB ALA A 101 -6.104 -2.626 2.032 1.00 0.00 C ATOM 0 H ALA A 101 -6.928 -3.717 4.097 1.00 0.00 H new ATOM 0 HA ALA A 101 -5.260 -1.430 3.593 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.854 -1.918 1.242 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.321 -3.381 2.103 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.053 -3.108 1.800 1.00 0.00 H new ATOM 1279 N LEU A 102 -8.485 -1.080 3.682 1.00 0.00 N ATOM 1280 CA LEU A 102 -9.569 -0.107 3.641 1.00 0.00 C ATOM 1281 C LEU A 102 -9.492 0.843 4.832 1.00 0.00 C ATOM 1282 O LEU A 102 -9.864 2.010 4.730 1.00 0.00 O ATOM 1283 CB LEU A 102 -10.922 -0.820 3.627 1.00 0.00 C ATOM 1284 CG LEU A 102 -12.008 -0.133 2.796 1.00 0.00 C ATOM 1285 CD1 LEU A 102 -13.089 -1.128 2.402 1.00 0.00 C ATOM 1286 CD2 LEU A 102 -12.609 1.032 3.567 1.00 0.00 C ATOM 0 H LEU A 102 -8.749 -1.991 4.057 1.00 0.00 H new ATOM 0 HA LEU A 102 -9.466 0.477 2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.779 -1.831 3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -11.276 -0.914 4.653 1.00 0.00 H new ATOM 0 HG LEU A 102 -11.552 0.255 1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -13.852 -0.621 1.812 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -12.647 -1.931 1.811 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -13.543 -1.546 3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -13.380 1.510 2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -13.050 0.666 4.494 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -11.828 1.757 3.798 1.00 0.00 H new ATOM 1298 N LEU A 103 -9.010 0.335 5.961 1.00 0.00 N ATOM 1299 CA LEU A 103 -8.887 1.140 7.169 1.00 0.00 C ATOM 1300 C LEU A 103 -7.684 2.075 7.091 1.00 0.00 C ATOM 1301 O LEU A 103 -7.678 3.141 7.699 1.00 0.00 O ATOM 1302 CB LEU A 103 -8.762 0.231 8.393 1.00 0.00 C ATOM 1303 CG LEU A 103 -10.073 -0.063 9.126 1.00 0.00 C ATOM 1304 CD1 LEU A 103 -10.557 1.171 9.867 1.00 0.00 C ATOM 1305 CD2 LEU A 103 -11.134 -0.563 8.155 1.00 0.00 C ATOM 0 H LEU A 103 -8.698 -0.631 6.064 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.785 1.750 7.261 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -8.320 -0.715 8.079 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.067 0.690 9.096 1.00 0.00 H new ATOM 0 HG LEU A 103 -9.888 -0.850 9.857 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -11.490 0.943 10.382 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -9.806 1.476 10.595 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -10.723 1.980 9.156 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -12.057 -0.766 8.698 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -11.319 0.196 7.395 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -10.786 -1.478 7.676 1.00 0.00 H new ATOM 1317 N ILE A 104 -6.662 1.666 6.347 1.00 0.00 N ATOM 1318 CA ILE A 104 -5.454 2.471 6.209 1.00 0.00 C ATOM 1319 C ILE A 104 -5.612 3.555 5.144 1.00 0.00 C ATOM 1320 O ILE A 104 -5.120 4.671 5.313 1.00 0.00 O ATOM 1321 CB ILE A 104 -4.224 1.605 5.871 1.00 0.00 C ATOM 1322 CG1 ILE A 104 -4.508 0.702 4.669 1.00 0.00 C ATOM 1323 CG2 ILE A 104 -3.817 0.775 7.080 1.00 0.00 C ATOM 1324 CD1 ILE A 104 -3.641 1.009 3.466 1.00 0.00 C ATOM 0 H ILE A 104 -6.646 0.786 5.832 1.00 0.00 H new ATOM 0 HA ILE A 104 -5.296 2.947 7.177 1.00 0.00 H new ATOM 0 HB ILE A 104 -3.399 2.267 5.608 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -4.356 -0.337 4.961 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -5.556 0.804 4.387 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -2.947 0.168 6.828 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -3.569 1.437 7.909 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.642 0.124 7.369 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -3.896 0.331 2.651 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -3.810 2.038 3.149 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.592 0.879 3.731 1.00 0.00 H new ATOM 1336 N LEU A 105 -6.296 3.233 4.048 1.00 0.00 N ATOM 1337 CA LEU A 105 -6.498 4.203 2.975 1.00 0.00 C ATOM 1338 C LEU A 105 -7.597 5.190 3.335 1.00 0.00 C ATOM 1339 O LEU A 105 -7.514 6.375 3.005 1.00 0.00 O ATOM 1340 CB LEU A 105 -6.828 3.496 1.654 1.00 0.00 C ATOM 1341 CG LEU A 105 -8.199 2.820 1.588 1.00 0.00 C ATOM 1342 CD1 LEU A 105 -9.260 3.806 1.120 1.00 0.00 C ATOM 1343 CD2 LEU A 105 -8.149 1.615 0.661 1.00 0.00 C ATOM 0 H LEU A 105 -6.715 2.318 3.881 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.568 4.756 2.847 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.764 4.226 0.847 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.063 2.743 1.465 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.465 2.479 2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.228 3.307 1.079 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.312 4.642 1.817 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.001 4.176 0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -9.131 1.144 0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.863 1.938 -0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.417 0.899 1.034 1.00 0.00 H new ATOM 1355 N HIS A 106 -8.629 4.706 4.021 1.00 0.00 N ATOM 1356 CA HIS A 106 -9.741 5.554 4.426 1.00 0.00 C ATOM 1357 C HIS A 106 -9.322 6.514 5.538 1.00 0.00 C ATOM 1358 O HIS A 106 -9.486 7.721 5.420 1.00 0.00 O ATOM 1359 CB HIS A 106 -10.925 4.703 4.890 1.00 0.00 C ATOM 1360 CG HIS A 106 -12.238 5.415 4.823 1.00 0.00 C ATOM 1361 ND1 HIS A 106 -12.918 5.623 3.644 1.00 0.00 N ATOM 1362 CD2 HIS A 106 -13.001 5.966 5.801 1.00 0.00 C ATOM 1363 CE1 HIS A 106 -14.043 6.275 3.898 1.00 0.00 C ATOM 1364 NE2 HIS A 106 -14.114 6.491 5.198 1.00 0.00 N ATOM 0 H HIS A 106 -8.716 3.731 4.307 1.00 0.00 H new ATOM 0 HA HIS A 106 -10.045 6.141 3.559 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -10.977 3.804 4.277 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -10.749 4.379 5.916 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -12.774 5.987 6.857 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -14.777 6.578 3.166 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -14.875 6.972 5.677 1.00 0.00 H new ATOM 1373 N ASN A 107 -8.767 5.956 6.614 1.00 0.00 N ATOM 1374 CA ASN A 107 -8.320 6.764 7.743 1.00 0.00 C ATOM 1375 C ASN A 107 -7.259 7.770 7.307 1.00 0.00 C ATOM 1376 O ASN A 107 -7.158 8.862 7.869 1.00 0.00 O ATOM 1377 CB ASN A 107 -7.761 5.872 8.854 1.00 0.00 C ATOM 1378 CG ASN A 107 -8.856 5.149 9.617 1.00 0.00 C ATOM 1379 OD1 ASN A 107 -8.821 3.924 9.756 1.00 0.00 O ATOM 1380 ND2 ASN A 107 -9.830 5.900 10.116 1.00 0.00 N ATOM 0 H ASN A 107 -8.618 4.953 6.725 1.00 0.00 H new ATOM 0 HA ASN A 107 -9.183 7.310 8.125 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.079 5.140 8.421 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.179 6.480 9.547 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -10.591 5.467 10.639 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -9.818 6.910 9.976 1.00 0.00 H new ATOM 1387 N ASP A 108 -6.476 7.399 6.302 1.00 0.00 N ATOM 1388 CA ASP A 108 -5.426 8.272 5.791 1.00 0.00 C ATOM 1389 C ASP A 108 -6.019 9.499 5.108 1.00 0.00 C ATOM 1390 O ASP A 108 -5.489 10.603 5.229 1.00 0.00 O ATOM 1391 CB ASP A 108 -4.535 7.510 4.810 1.00 0.00 C ATOM 1392 CG ASP A 108 -3.394 8.357 4.279 1.00 0.00 C ATOM 1393 OD1 ASP A 108 -3.606 9.069 3.272 1.00 0.00 O ATOM 1394 OD2 ASP A 108 -2.299 8.318 4.871 1.00 0.00 O ATOM 0 H ASP A 108 -6.548 6.500 5.825 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.824 8.606 6.636 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -4.128 6.628 5.304 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.140 7.157 3.975 1.00 0.00 H new ATOM 1399 N LEU A 109 -7.115 9.295 4.387 1.00 0.00 N ATOM 1400 CA LEU A 109 -7.776 10.393 3.684 1.00 0.00 C ATOM 1401 C LEU A 109 -8.988 10.921 4.461 1.00 0.00 C ATOM 1402 O LEU A 109 -9.653 11.846 4.016 1.00 0.00 O ATOM 1403 CB LEU A 109 -8.215 9.946 2.291 1.00 0.00 C ATOM 1404 CG LEU A 109 -8.470 11.080 1.296 1.00 0.00 C ATOM 1405 CD1 LEU A 109 -7.186 11.427 0.551 1.00 0.00 C ATOM 1406 CD2 LEU A 109 -9.566 10.692 0.317 1.00 0.00 C ATOM 0 H LEU A 109 -7.564 8.386 4.273 1.00 0.00 H new ATOM 0 HA LEU A 109 -7.052 11.203 3.596 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -7.450 9.288 1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -9.126 9.355 2.386 1.00 0.00 H new ATOM 0 HG LEU A 109 -8.799 11.960 1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -7.381 12.235 -0.154 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.426 11.744 1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -6.832 10.550 0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.734 11.510 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -9.264 9.800 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -10.486 10.487 0.864 1.00 0.00 H new ATOM 1418 N HIS A 110 -9.264 10.314 5.614 1.00 0.00 N ATOM 1419 CA HIS A 110 -10.401 10.735 6.431 1.00 0.00 C ATOM 1420 C HIS A 110 -10.106 12.045 7.161 1.00 0.00 C ATOM 1421 O HIS A 110 -10.648 13.097 6.815 1.00 0.00 O ATOM 1422 CB HIS A 110 -10.758 9.640 7.440 1.00 0.00 C ATOM 1423 CG HIS A 110 -12.192 9.209 7.367 1.00 0.00 C ATOM 1424 ND1 HIS A 110 -12.805 8.475 8.361 1.00 0.00 N ATOM 1425 CD2 HIS A 110 -13.124 9.394 6.406 1.00 0.00 C ATOM 1426 CE1 HIS A 110 -14.062 8.241 8.017 1.00 0.00 C ATOM 1427 NE2 HIS A 110 -14.278 8.786 6.836 1.00 0.00 N ATOM 0 H HIS A 110 -8.724 9.539 6.000 1.00 0.00 H new ATOM 0 HA HIS A 110 -11.249 10.903 5.767 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -10.117 8.775 7.269 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -10.545 10.000 8.447 1.00 0.00 H new ATOM 0 HD1 HIS A 110 -12.361 8.162 9.224 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -12.987 9.922 5.474 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -14.787 7.696 8.604 1.00 0.00 H new ATOM 1436 N GLU A 111 -9.246 11.972 8.174 1.00 0.00 N ATOM 1437 CA GLU A 111 -8.886 13.153 8.950 1.00 0.00 C ATOM 1438 C GLU A 111 -7.724 13.901 8.308 1.00 0.00 C ATOM 1439 O GLU A 111 -7.869 15.035 7.866 1.00 0.00 O ATOM 1440 CB GLU A 111 -8.524 12.755 10.383 1.00 0.00 C ATOM 1441 CG GLU A 111 -9.711 12.773 11.337 1.00 0.00 C ATOM 1442 CD GLU A 111 -9.312 13.062 12.763 1.00 0.00 C ATOM 1443 OE1 GLU A 111 -8.446 12.328 13.299 1.00 0.00 O ATOM 1444 OE2 GLU A 111 -9.846 14.027 13.351 1.00 0.00 O ATOM 0 H GLU A 111 -8.788 11.112 8.475 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.750 13.818 8.970 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -8.089 11.755 10.375 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -7.757 13.433 10.757 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.426 13.526 11.005 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.219 11.810 11.295 1.00 0.00 H new