USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 879 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 5 CYS SG : rot -105:sc= 0.654 USER MOD Set 1.2: A 106 MET CE :methyl -110:sc= -0.232 (180deg=-0.781) USER MOD Set 2.1: A 78 CYS SG : rot 174:sc= -0.359 USER MOD Set 2.2: A 82 ASN : amide:sc= 0.00688 X(o=-0.35,f=-0.56) USER MOD Single : A 1 GLU N :NH3+ -106:sc= 0.00814 (180deg=0) USER MOD Single : A 2 GLN : amide:sc=-0.00967 X(o=-0.0097,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 CYS SG : rot 80:sc= -1.54 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -173:sc= -1.54 (180deg=-1.63) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= -1.58 K(o=-1.6,f=-2.2) USER MOD Single : A 21 TYR OH : rot 30:sc= -0.496 USER MOD Single : A 26 TYR OH : rot -54:sc= 1.41 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 MET CE :methyl -120:sc= 0 (180deg=-1.09) USER MOD Single : A 49 MET CE :methyl -138:sc= -1.84 (180deg=-2.51!) USER MOD Single : A 50 SER OG : rot 140:sc= -0.0111 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -122:sc= 0.0344 (180deg=0) USER MOD Single : A 61 TYR OH : rot 19:sc= -1.19! USER MOD Single : A 65 GLN : amide:sc= -0.191 X(o=-0.19,f=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot -72:sc= 1.2 USER MOD Single : A 77 ASN : amide:sc= -1.58 K(o=-1.6,f=-4.7!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0506) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -0.265 K(o=-0.27,f=-1) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 133:sc= -0.298 (180deg=-1.2!) USER MOD Single : A 108 GLN : amide:sc= -0.232 X(o=-0.23,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 170.177 -17.736 12.937 1.00 0.00 N ATOM 2 CA GLU A 1 170.139 -17.708 11.449 1.00 0.00 C ATOM 3 C GLU A 1 171.007 -16.581 10.896 1.00 0.00 C ATOM 4 O GLU A 1 171.044 -15.484 11.456 1.00 0.00 O ATOM 5 CB GLU A 1 168.687 -17.527 10.992 1.00 0.00 C ATOM 6 CG GLU A 1 168.482 -17.762 9.502 1.00 0.00 C ATOM 7 CD GLU A 1 168.446 -19.234 9.141 1.00 0.00 C ATOM 8 OE1 GLU A 1 169.500 -19.897 9.245 1.00 0.00 O ATOM 9 OE2 GLU A 1 167.365 -19.724 8.754 1.00 0.00 O ATOM 0 H1 GLU A 1 170.758 -18.538 13.254 1.00 0.00 H new ATOM 0 H2 GLU A 1 170.589 -16.849 13.290 1.00 0.00 H new ATOM 0 H3 GLU A 1 169.211 -17.840 13.307 1.00 0.00 H new ATOM 0 HA GLU A 1 170.536 -18.649 11.068 1.00 0.00 H new ATOM 0 HB2 GLU A 1 168.051 -18.214 11.550 1.00 0.00 H new ATOM 0 HB3 GLU A 1 168.360 -16.517 11.240 1.00 0.00 H new ATOM 0 HG2 GLU A 1 167.549 -17.293 9.189 1.00 0.00 H new ATOM 0 HG3 GLU A 1 169.285 -17.276 8.948 1.00 0.00 H new ATOM 18 N GLN A 2 171.699 -16.859 9.792 1.00 0.00 N ATOM 19 CA GLN A 2 172.566 -15.868 9.157 1.00 0.00 C ATOM 20 C GLN A 2 171.752 -14.674 8.661 1.00 0.00 C ATOM 21 O GLN A 2 172.137 -13.522 8.868 1.00 0.00 O ATOM 22 CB GLN A 2 173.336 -16.494 7.991 1.00 0.00 C ATOM 23 CG GLN A 2 174.153 -17.715 8.384 1.00 0.00 C ATOM 24 CD GLN A 2 174.129 -18.801 7.322 1.00 0.00 C ATOM 25 OE1 GLN A 2 175.152 -19.107 6.709 1.00 0.00 O ATOM 26 NE2 GLN A 2 172.959 -19.390 7.098 1.00 0.00 N ATOM 0 H GLN A 2 171.676 -17.762 9.319 1.00 0.00 H new ATOM 0 HA GLN A 2 173.279 -15.518 9.903 1.00 0.00 H new ATOM 0 HB2 GLN A 2 172.630 -16.776 7.210 1.00 0.00 H new ATOM 0 HB3 GLN A 2 174.002 -15.745 7.563 1.00 0.00 H new ATOM 0 HG2 GLN A 2 175.184 -17.414 8.567 1.00 0.00 H new ATOM 0 HG3 GLN A 2 173.768 -18.119 9.320 1.00 0.00 H new ATOM 0 HE21 GLN A 2 172.135 -19.106 7.628 1.00 0.00 H new ATOM 0 HE22 GLN A 2 172.885 -20.126 6.396 1.00 0.00 H new ATOM 35 N LEU A 3 170.621 -14.959 8.012 1.00 0.00 N ATOM 36 CA LEU A 3 169.746 -13.910 7.493 1.00 0.00 C ATOM 37 C LEU A 3 169.250 -13.004 8.621 1.00 0.00 C ATOM 38 O LEU A 3 169.252 -11.779 8.488 1.00 0.00 O ATOM 39 CB LEU A 3 168.555 -14.525 6.752 1.00 0.00 C ATOM 40 CG LEU A 3 168.809 -14.866 5.281 1.00 0.00 C ATOM 41 CD1 LEU A 3 167.690 -15.742 4.737 1.00 0.00 C ATOM 42 CD2 LEU A 3 168.945 -13.594 4.455 1.00 0.00 C ATOM 0 H LEU A 3 170.291 -15.908 7.834 1.00 0.00 H new ATOM 0 HA LEU A 3 170.324 -13.305 6.794 1.00 0.00 H new ATOM 0 HB2 LEU A 3 168.254 -15.434 7.272 1.00 0.00 H new ATOM 0 HB3 LEU A 3 167.715 -13.832 6.808 1.00 0.00 H new ATOM 0 HG LEU A 3 169.744 -15.422 5.211 1.00 0.00 H new ATOM 0 HD11 LEU A 3 167.886 -15.975 3.690 1.00 0.00 H new ATOM 0 HD12 LEU A 3 167.640 -16.667 5.311 1.00 0.00 H new ATOM 0 HD13 LEU A 3 166.741 -15.212 4.819 1.00 0.00 H new ATOM 0 HD21 LEU A 3 169.125 -13.855 3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 3 168.027 -13.012 4.530 1.00 0.00 H new ATOM 0 HD23 LEU A 3 169.781 -13.004 4.831 1.00 0.00 H new ATOM 54 N LYS A 4 168.834 -13.614 9.734 1.00 0.00 N ATOM 55 CA LYS A 4 168.344 -12.860 10.888 1.00 0.00 C ATOM 56 C LYS A 4 169.453 -11.989 11.481 1.00 0.00 C ATOM 57 O LYS A 4 169.202 -10.861 11.908 1.00 0.00 O ATOM 58 CB LYS A 4 167.800 -13.808 11.962 1.00 0.00 C ATOM 59 CG LYS A 4 166.598 -13.257 12.715 1.00 0.00 C ATOM 60 CD LYS A 4 166.660 -13.603 14.197 1.00 0.00 C ATOM 61 CE LYS A 4 165.290 -13.980 14.748 1.00 0.00 C ATOM 62 NZ LYS A 4 165.021 -15.444 14.638 1.00 0.00 N ATOM 0 H LYS A 4 168.827 -14.626 9.859 1.00 0.00 H new ATOM 0 HA LYS A 4 167.537 -12.213 10.545 1.00 0.00 H new ATOM 0 HB2 LYS A 4 167.522 -14.752 11.493 1.00 0.00 H new ATOM 0 HB3 LYS A 4 168.594 -14.028 12.675 1.00 0.00 H new ATOM 0 HG2 LYS A 4 166.557 -12.174 12.595 1.00 0.00 H new ATOM 0 HG3 LYS A 4 165.682 -13.660 12.284 1.00 0.00 H new ATOM 0 HD2 LYS A 4 167.353 -14.431 14.348 1.00 0.00 H new ATOM 0 HD3 LYS A 4 167.054 -12.752 14.753 1.00 0.00 H new ATOM 0 HE2 LYS A 4 165.225 -13.678 15.793 1.00 0.00 H new ATOM 0 HE3 LYS A 4 164.519 -13.429 14.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 164.079 -15.654 15.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 165.056 -15.729 13.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 165.740 -15.970 15.174 1.00 0.00 H new ATOM 76 N CYS A 5 170.680 -12.519 11.502 1.00 0.00 N ATOM 77 CA CYS A 5 171.828 -11.788 12.040 1.00 0.00 C ATOM 78 C CYS A 5 172.143 -10.559 11.188 1.00 0.00 C ATOM 79 O CYS A 5 172.360 -9.468 11.719 1.00 0.00 O ATOM 80 CB CYS A 5 173.060 -12.697 12.120 1.00 0.00 C ATOM 81 SG CYS A 5 173.989 -12.550 13.665 1.00 0.00 S ATOM 0 H CYS A 5 170.902 -13.451 11.153 1.00 0.00 H new ATOM 0 HA CYS A 5 171.569 -11.456 13.045 1.00 0.00 H new ATOM 0 HB2 CYS A 5 172.743 -13.732 11.997 1.00 0.00 H new ATOM 0 HB3 CYS A 5 173.723 -12.466 11.287 1.00 0.00 H new ATOM 0 HG CYS A 5 175.082 -11.880 13.452 1.00 0.00 H new ATOM 87 N CYS A 6 172.163 -10.742 9.865 1.00 0.00 N ATOM 88 CA CYS A 6 172.447 -9.643 8.940 1.00 0.00 C ATOM 89 C CYS A 6 171.415 -8.527 9.084 1.00 0.00 C ATOM 90 O CYS A 6 171.757 -7.344 9.025 1.00 0.00 O ATOM 91 CB CYS A 6 172.465 -10.146 7.495 1.00 0.00 C ATOM 92 SG CYS A 6 174.003 -10.963 7.013 1.00 0.00 S ATOM 0 H CYS A 6 171.986 -11.639 9.412 1.00 0.00 H new ATOM 0 HA CYS A 6 173.430 -9.244 9.190 1.00 0.00 H new ATOM 0 HB2 CYS A 6 171.638 -10.842 7.354 1.00 0.00 H new ATOM 0 HB3 CYS A 6 172.290 -9.303 6.827 1.00 0.00 H new ATOM 0 HG CYS A 6 174.001 -12.186 7.454 1.00 0.00 H new ATOM 98 N SER A 7 170.152 -8.913 9.279 1.00 0.00 N ATOM 99 CA SER A 7 169.068 -7.948 9.440 1.00 0.00 C ATOM 100 C SER A 7 169.329 -7.021 10.627 1.00 0.00 C ATOM 101 O SER A 7 168.975 -5.843 10.587 1.00 0.00 O ATOM 102 CB SER A 7 167.732 -8.671 9.626 1.00 0.00 C ATOM 103 OG SER A 7 167.131 -8.957 8.376 1.00 0.00 O ATOM 0 H SER A 7 169.857 -9.888 9.329 1.00 0.00 H new ATOM 0 HA SER A 7 169.022 -7.343 8.535 1.00 0.00 H new ATOM 0 HB2 SER A 7 167.890 -9.598 10.178 1.00 0.00 H new ATOM 0 HB3 SER A 7 167.061 -8.054 10.224 1.00 0.00 H new ATOM 0 HG SER A 7 166.280 -9.420 8.521 1.00 0.00 H new ATOM 109 N GLY A 8 169.956 -7.558 11.679 1.00 0.00 N ATOM 110 CA GLY A 8 170.256 -6.759 12.858 1.00 0.00 C ATOM 111 C GLY A 8 171.138 -5.567 12.540 1.00 0.00 C ATOM 112 O GLY A 8 170.847 -4.447 12.961 1.00 0.00 O ATOM 0 H GLY A 8 170.260 -8.530 11.733 1.00 0.00 H new ATOM 0 HA2 GLY A 8 169.324 -6.410 13.303 1.00 0.00 H new ATOM 0 HA3 GLY A 8 170.750 -7.385 13.602 1.00 0.00 H new ATOM 116 N ILE A 9 172.212 -5.803 11.785 1.00 0.00 N ATOM 117 CA ILE A 9 173.129 -4.732 11.401 1.00 0.00 C ATOM 118 C ILE A 9 172.413 -3.715 10.517 1.00 0.00 C ATOM 119 O ILE A 9 172.542 -2.506 10.715 1.00 0.00 O ATOM 120 CB ILE A 9 174.370 -5.270 10.653 1.00 0.00 C ATOM 121 CG1 ILE A 9 175.016 -6.421 11.435 1.00 0.00 C ATOM 122 CG2 ILE A 9 175.377 -4.150 10.422 1.00 0.00 C ATOM 123 CD1 ILE A 9 175.366 -7.615 10.574 1.00 0.00 C ATOM 0 H ILE A 9 172.467 -6.724 11.429 1.00 0.00 H new ATOM 0 HA ILE A 9 173.467 -4.255 12.321 1.00 0.00 H new ATOM 0 HB ILE A 9 174.049 -5.653 9.684 1.00 0.00 H new ATOM 0 HG12 ILE A 9 175.921 -6.056 11.921 1.00 0.00 H new ATOM 0 HG13 ILE A 9 174.336 -6.740 12.225 1.00 0.00 H new ATOM 0 HG21 ILE A 9 176.245 -4.545 9.894 1.00 0.00 H new ATOM 0 HG22 ILE A 9 174.916 -3.364 9.825 1.00 0.00 H new ATOM 0 HG23 ILE A 9 175.691 -3.740 11.382 1.00 0.00 H new ATOM 0 HD11 ILE A 9 175.819 -8.390 11.193 1.00 0.00 H new ATOM 0 HD12 ILE A 9 174.461 -8.005 10.108 1.00 0.00 H new ATOM 0 HD13 ILE A 9 176.071 -7.311 9.800 1.00 0.00 H new ATOM 135 N LEU A 10 171.643 -4.216 9.551 1.00 0.00 N ATOM 136 CA LEU A 10 170.888 -3.356 8.645 1.00 0.00 C ATOM 137 C LEU A 10 169.864 -2.521 9.418 1.00 0.00 C ATOM 138 O LEU A 10 169.606 -1.367 9.071 1.00 0.00 O ATOM 139 CB LEU A 10 170.184 -4.192 7.573 1.00 0.00 C ATOM 140 CG LEU A 10 169.727 -3.412 6.335 1.00 0.00 C ATOM 141 CD1 LEU A 10 170.274 -4.052 5.066 1.00 0.00 C ATOM 142 CD2 LEU A 10 168.207 -3.331 6.285 1.00 0.00 C ATOM 0 H LEU A 10 171.527 -5.214 9.377 1.00 0.00 H new ATOM 0 HA LEU A 10 171.590 -2.679 8.157 1.00 0.00 H new ATOM 0 HB2 LEU A 10 170.858 -4.987 7.254 1.00 0.00 H new ATOM 0 HB3 LEU A 10 169.315 -4.672 8.022 1.00 0.00 H new ATOM 0 HG LEU A 10 170.121 -2.398 6.403 1.00 0.00 H new ATOM 0 HD11 LEU A 10 169.939 -3.484 4.198 1.00 0.00 H new ATOM 0 HD12 LEU A 10 171.363 -4.053 5.100 1.00 0.00 H new ATOM 0 HD13 LEU A 10 169.912 -5.077 4.990 1.00 0.00 H new ATOM 0 HD21 LEU A 10 167.901 -2.774 5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 10 167.790 -4.337 6.242 1.00 0.00 H new ATOM 0 HD23 LEU A 10 167.840 -2.824 7.177 1.00 0.00 H new ATOM 154 N LYS A 11 169.281 -3.116 10.466 1.00 0.00 N ATOM 155 CA LYS A 11 168.283 -2.430 11.290 1.00 0.00 C ATOM 156 C LYS A 11 168.846 -1.148 11.903 1.00 0.00 C ATOM 157 O LYS A 11 168.098 -0.210 12.170 1.00 0.00 O ATOM 158 CB LYS A 11 167.772 -3.355 12.401 1.00 0.00 C ATOM 159 CG LYS A 11 166.551 -4.171 12.003 1.00 0.00 C ATOM 160 CD LYS A 11 165.624 -4.413 13.187 1.00 0.00 C ATOM 161 CE LYS A 11 164.413 -3.489 13.153 1.00 0.00 C ATOM 162 NZ LYS A 11 163.136 -4.228 13.376 1.00 0.00 N ATOM 0 H LYS A 11 169.484 -4.071 10.762 1.00 0.00 H new ATOM 0 HA LYS A 11 167.453 -2.160 10.637 1.00 0.00 H new ATOM 0 HB2 LYS A 11 168.573 -4.034 12.693 1.00 0.00 H new ATOM 0 HB3 LYS A 11 167.527 -2.755 13.278 1.00 0.00 H new ATOM 0 HG2 LYS A 11 166.007 -3.650 11.215 1.00 0.00 H new ATOM 0 HG3 LYS A 11 166.871 -5.128 11.590 1.00 0.00 H new ATOM 0 HD2 LYS A 11 165.290 -5.451 13.182 1.00 0.00 H new ATOM 0 HD3 LYS A 11 166.173 -4.260 14.116 1.00 0.00 H new ATOM 0 HE2 LYS A 11 164.524 -2.719 13.916 1.00 0.00 H new ATOM 0 HE3 LYS A 11 164.373 -2.980 12.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 162.339 -3.561 13.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 163.016 -4.946 12.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 163.162 -4.693 14.306 1.00 0.00 H new ATOM 176 N GLU A 12 170.164 -1.108 12.117 1.00 0.00 N ATOM 177 CA GLU A 12 170.816 0.072 12.692 1.00 0.00 C ATOM 178 C GLU A 12 170.568 1.309 11.834 1.00 0.00 C ATOM 179 O GLU A 12 170.392 2.409 12.363 1.00 0.00 O ATOM 180 CB GLU A 12 172.320 -0.167 12.850 1.00 0.00 C ATOM 181 CG GLU A 12 172.919 0.515 14.073 1.00 0.00 C ATOM 182 CD GLU A 12 174.216 1.254 13.780 1.00 0.00 C ATOM 183 OE1 GLU A 12 174.348 1.825 12.676 1.00 0.00 O ATOM 184 OE2 GLU A 12 175.099 1.265 14.662 1.00 0.00 O ATOM 0 H GLU A 12 170.799 -1.877 11.902 1.00 0.00 H new ATOM 0 HA GLU A 12 170.382 0.246 13.677 1.00 0.00 H new ATOM 0 HB2 GLU A 12 172.504 -1.239 12.915 1.00 0.00 H new ATOM 0 HB3 GLU A 12 172.832 0.191 11.957 1.00 0.00 H new ATOM 0 HG2 GLU A 12 172.193 1.219 14.479 1.00 0.00 H new ATOM 0 HG3 GLU A 12 173.103 -0.234 14.844 1.00 0.00 H new ATOM 191 N MET A 13 170.537 1.126 10.511 1.00 0.00 N ATOM 192 CA MET A 13 170.286 2.234 9.591 1.00 0.00 C ATOM 193 C MET A 13 168.953 2.905 9.924 1.00 0.00 C ATOM 194 O MET A 13 168.841 4.131 9.891 1.00 0.00 O ATOM 195 CB MET A 13 170.267 1.736 8.143 1.00 0.00 C ATOM 196 CG MET A 13 171.401 2.283 7.291 1.00 0.00 C ATOM 197 SD MET A 13 171.447 1.553 5.642 1.00 0.00 S ATOM 198 CE MET A 13 171.748 -0.167 6.039 1.00 0.00 C ATOM 0 H MET A 13 170.682 0.224 10.056 1.00 0.00 H new ATOM 0 HA MET A 13 171.090 2.961 9.702 1.00 0.00 H new ATOM 0 HB2 MET A 13 170.317 0.647 8.142 1.00 0.00 H new ATOM 0 HB3 MET A 13 169.316 2.011 7.686 1.00 0.00 H new ATOM 0 HG2 MET A 13 171.295 3.364 7.202 1.00 0.00 H new ATOM 0 HG3 MET A 13 172.350 2.096 7.793 1.00 0.00 H new ATOM 0 HE1 MET A 13 171.926 -0.727 5.121 1.00 0.00 H new ATOM 0 HE2 MET A 13 172.622 -0.244 6.686 1.00 0.00 H new ATOM 0 HE3 MET A 13 170.879 -0.579 6.553 1.00 0.00 H new ATOM 208 N PHE A 14 167.948 2.086 10.253 1.00 0.00 N ATOM 209 CA PHE A 14 166.619 2.586 10.603 1.00 0.00 C ATOM 210 C PHE A 14 166.360 2.508 12.116 1.00 0.00 C ATOM 211 O PHE A 14 165.225 2.683 12.564 1.00 0.00 O ATOM 212 CB PHE A 14 165.546 1.787 9.859 1.00 0.00 C ATOM 213 CG PHE A 14 164.563 2.647 9.119 1.00 0.00 C ATOM 214 CD1 PHE A 14 163.498 3.238 9.783 1.00 0.00 C ATOM 215 CD2 PHE A 14 164.705 2.866 7.760 1.00 0.00 C ATOM 216 CE1 PHE A 14 162.595 4.031 9.102 1.00 0.00 C ATOM 217 CE2 PHE A 14 163.805 3.658 7.074 1.00 0.00 C ATOM 218 CZ PHE A 14 162.749 4.242 7.745 1.00 0.00 C ATOM 0 H PHE A 14 168.033 1.070 10.283 1.00 0.00 H new ATOM 0 HA PHE A 14 166.574 3.634 10.306 1.00 0.00 H new ATOM 0 HB2 PHE A 14 166.031 1.113 9.153 1.00 0.00 H new ATOM 0 HB3 PHE A 14 165.007 1.165 10.574 1.00 0.00 H new ATOM 0 HD1 PHE A 14 163.374 3.076 10.844 1.00 0.00 H new ATOM 0 HD2 PHE A 14 165.529 2.412 7.230 1.00 0.00 H new ATOM 0 HE1 PHE A 14 161.770 4.486 9.630 1.00 0.00 H new ATOM 0 HE2 PHE A 14 163.927 3.820 6.013 1.00 0.00 H new ATOM 0 HZ PHE A 14 162.045 4.862 7.210 1.00 0.00 H new ATOM 228 N ALA A 15 167.411 2.251 12.903 1.00 0.00 N ATOM 229 CA ALA A 15 167.278 2.156 14.359 1.00 0.00 C ATOM 230 C ALA A 15 167.568 3.496 15.042 1.00 0.00 C ATOM 231 O ALA A 15 167.721 3.557 16.265 1.00 0.00 O ATOM 232 CB ALA A 15 168.206 1.079 14.907 1.00 0.00 C ATOM 0 H ALA A 15 168.359 2.106 12.557 1.00 0.00 H new ATOM 0 HA ALA A 15 166.245 1.886 14.578 1.00 0.00 H new ATOM 0 HB1 ALA A 15 168.096 1.020 15.990 1.00 0.00 H new ATOM 0 HB2 ALA A 15 167.949 0.117 14.463 1.00 0.00 H new ATOM 0 HB3 ALA A 15 169.238 1.328 14.660 1.00 0.00 H new ATOM 238 N LYS A 16 167.654 4.562 14.243 1.00 0.00 N ATOM 239 CA LYS A 16 167.937 5.907 14.750 1.00 0.00 C ATOM 240 C LYS A 16 169.390 6.027 15.222 1.00 0.00 C ATOM 241 O LYS A 16 169.709 6.852 16.079 1.00 0.00 O ATOM 242 CB LYS A 16 166.968 6.282 15.885 1.00 0.00 C ATOM 243 CG LYS A 16 166.008 7.408 15.522 1.00 0.00 C ATOM 244 CD LYS A 16 164.559 7.025 15.796 1.00 0.00 C ATOM 245 CE LYS A 16 164.073 7.580 17.129 1.00 0.00 C ATOM 246 NZ LYS A 16 163.626 8.999 17.020 1.00 0.00 N ATOM 0 H LYS A 16 167.530 4.518 13.231 1.00 0.00 H new ATOM 0 HA LYS A 16 167.790 6.607 13.928 1.00 0.00 H new ATOM 0 HB2 LYS A 16 166.391 5.400 16.165 1.00 0.00 H new ATOM 0 HB3 LYS A 16 167.545 6.577 16.761 1.00 0.00 H new ATOM 0 HG2 LYS A 16 166.262 8.301 16.093 1.00 0.00 H new ATOM 0 HG3 LYS A 16 166.125 7.660 14.468 1.00 0.00 H new ATOM 0 HD2 LYS A 16 163.925 7.400 14.993 1.00 0.00 H new ATOM 0 HD3 LYS A 16 164.463 5.939 15.797 1.00 0.00 H new ATOM 0 HE2 LYS A 16 163.249 6.969 17.496 1.00 0.00 H new ATOM 0 HE3 LYS A 16 164.875 7.509 17.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 163.304 9.334 17.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 164.419 9.589 16.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 162.843 9.065 16.339 1.00 0.00 H new ATOM 260 N LYS A 17 170.268 5.202 14.646 1.00 0.00 N ATOM 261 CA LYS A 17 171.689 5.216 14.996 1.00 0.00 C ATOM 262 C LYS A 17 172.545 5.631 13.797 1.00 0.00 C ATOM 263 O LYS A 17 173.577 6.284 13.961 1.00 0.00 O ATOM 264 CB LYS A 17 172.128 3.841 15.506 1.00 0.00 C ATOM 265 CG LYS A 17 171.292 3.331 16.671 1.00 0.00 C ATOM 266 CD LYS A 17 171.516 1.849 16.917 1.00 0.00 C ATOM 267 CE LYS A 17 170.924 1.414 18.248 1.00 0.00 C ATOM 268 NZ LYS A 17 171.057 -0.054 18.468 1.00 0.00 N ATOM 0 H LYS A 17 170.018 4.515 13.934 1.00 0.00 H new ATOM 0 HA LYS A 17 171.833 5.949 15.790 1.00 0.00 H new ATOM 0 HB2 LYS A 17 172.072 3.124 14.687 1.00 0.00 H new ATOM 0 HB3 LYS A 17 173.172 3.893 15.814 1.00 0.00 H new ATOM 0 HG2 LYS A 17 171.543 3.891 17.572 1.00 0.00 H new ATOM 0 HG3 LYS A 17 170.236 3.511 16.467 1.00 0.00 H new ATOM 0 HD2 LYS A 17 171.065 1.272 16.110 1.00 0.00 H new ATOM 0 HD3 LYS A 17 172.584 1.633 16.904 1.00 0.00 H new ATOM 0 HE2 LYS A 17 171.422 1.948 19.057 1.00 0.00 H new ATOM 0 HE3 LYS A 17 169.871 1.691 18.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 170.640 -0.306 19.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 170.560 -0.565 17.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 172.063 -0.316 18.460 1.00 0.00 H new ATOM 282 N HIS A 18 172.107 5.254 12.593 1.00 0.00 N ATOM 283 CA HIS A 18 172.823 5.595 11.369 1.00 0.00 C ATOM 284 C HIS A 18 171.878 6.196 10.324 1.00 0.00 C ATOM 285 O HIS A 18 172.164 6.162 9.125 1.00 0.00 O ATOM 286 CB HIS A 18 173.509 4.354 10.797 1.00 0.00 C ATOM 287 CG HIS A 18 174.952 4.572 10.475 1.00 0.00 C ATOM 288 ND1 HIS A 18 175.898 4.882 11.428 1.00 0.00 N ATOM 289 CD2 HIS A 18 175.609 4.528 9.294 1.00 0.00 C ATOM 290 CE1 HIS A 18 177.076 5.021 10.847 1.00 0.00 C ATOM 291 NE2 HIS A 18 176.929 4.811 9.551 1.00 0.00 N ATOM 0 H HIS A 18 171.257 4.711 12.443 1.00 0.00 H new ATOM 0 HA HIS A 18 173.577 6.342 11.617 1.00 0.00 H new ATOM 0 HB2 HIS A 18 173.423 3.537 11.514 1.00 0.00 H new ATOM 0 HB3 HIS A 18 172.985 4.042 9.893 1.00 0.00 H new ATOM 0 HD1 HIS A 18 175.717 4.988 12.426 1.00 0.00 H new ATOM 0 HD2 HIS A 18 175.177 4.311 8.328 1.00 0.00 H new ATOM 0 HE1 HIS A 18 178.002 5.265 11.346 1.00 0.00 H new ATOM 300 N ALA A 19 170.755 6.751 10.785 1.00 0.00 N ATOM 301 CA ALA A 19 169.776 7.360 9.887 1.00 0.00 C ATOM 302 C ALA A 19 170.259 8.716 9.381 1.00 0.00 C ATOM 303 O ALA A 19 169.925 9.122 8.270 1.00 0.00 O ATOM 304 CB ALA A 19 168.430 7.505 10.582 1.00 0.00 C ATOM 0 H ALA A 19 170.503 6.790 11.773 1.00 0.00 H new ATOM 0 HA ALA A 19 169.657 6.701 9.027 1.00 0.00 H new ATOM 0 HB1 ALA A 19 167.714 7.960 9.898 1.00 0.00 H new ATOM 0 HB2 ALA A 19 168.069 6.522 10.884 1.00 0.00 H new ATOM 0 HB3 ALA A 19 168.542 8.137 11.463 1.00 0.00 H new ATOM 310 N ALA A 20 171.052 9.410 10.200 1.00 0.00 N ATOM 311 CA ALA A 20 171.585 10.718 9.822 1.00 0.00 C ATOM 312 C ALA A 20 172.549 10.597 8.644 1.00 0.00 C ATOM 313 O ALA A 20 172.552 11.438 7.744 1.00 0.00 O ATOM 314 CB ALA A 20 172.278 11.377 11.006 1.00 0.00 C ATOM 0 H ALA A 20 171.338 9.089 11.125 1.00 0.00 H new ATOM 0 HA ALA A 20 170.748 11.345 9.515 1.00 0.00 H new ATOM 0 HB1 ALA A 20 172.668 12.349 10.704 1.00 0.00 H new ATOM 0 HB2 ALA A 20 171.564 11.509 11.819 1.00 0.00 H new ATOM 0 HB3 ALA A 20 173.100 10.746 11.344 1.00 0.00 H new ATOM 320 N TYR A 21 173.363 9.543 8.655 1.00 0.00 N ATOM 321 CA TYR A 21 174.328 9.306 7.588 1.00 0.00 C ATOM 322 C TYR A 21 173.667 8.637 6.381 1.00 0.00 C ATOM 323 O TYR A 21 174.050 8.889 5.238 1.00 0.00 O ATOM 324 CB TYR A 21 175.482 8.443 8.102 1.00 0.00 C ATOM 325 CG TYR A 21 176.582 9.243 8.762 1.00 0.00 C ATOM 326 CD1 TYR A 21 176.332 10.000 9.901 1.00 0.00 C ATOM 327 CD2 TYR A 21 177.869 9.247 8.242 1.00 0.00 C ATOM 328 CE1 TYR A 21 177.335 10.736 10.503 1.00 0.00 C ATOM 329 CE2 TYR A 21 178.876 9.981 8.837 1.00 0.00 C ATOM 330 CZ TYR A 21 178.605 10.723 9.966 1.00 0.00 C ATOM 331 OH TYR A 21 179.607 11.457 10.559 1.00 0.00 O ATOM 0 H TYR A 21 173.372 8.839 9.393 1.00 0.00 H new ATOM 0 HA TYR A 21 174.719 10.272 7.267 1.00 0.00 H new ATOM 0 HB2 TYR A 21 175.093 7.717 8.816 1.00 0.00 H new ATOM 0 HB3 TYR A 21 175.903 7.879 7.270 1.00 0.00 H new ATOM 0 HD1 TYR A 21 175.338 10.013 10.322 1.00 0.00 H new ATOM 0 HD2 TYR A 21 178.086 8.667 7.358 1.00 0.00 H new ATOM 0 HE1 TYR A 21 177.125 11.318 11.388 1.00 0.00 H new ATOM 0 HE2 TYR A 21 179.872 9.974 8.419 1.00 0.00 H new ATOM 0 HH TYR A 21 179.438 11.524 11.522 1.00 0.00 H new ATOM 341 N ALA A 22 172.671 7.787 6.642 1.00 0.00 N ATOM 342 CA ALA A 22 171.957 7.086 5.574 1.00 0.00 C ATOM 343 C ALA A 22 170.649 7.793 5.194 1.00 0.00 C ATOM 344 O ALA A 22 169.794 7.205 4.529 1.00 0.00 O ATOM 345 CB ALA A 22 171.674 5.646 5.987 1.00 0.00 C ATOM 0 H ALA A 22 172.342 7.568 7.582 1.00 0.00 H new ATOM 0 HA ALA A 22 172.600 7.092 4.694 1.00 0.00 H new ATOM 0 HB1 ALA A 22 171.142 5.135 5.184 1.00 0.00 H new ATOM 0 HB2 ALA A 22 172.615 5.132 6.184 1.00 0.00 H new ATOM 0 HB3 ALA A 22 171.062 5.640 6.889 1.00 0.00 H new ATOM 351 N TRP A 23 170.496 9.052 5.613 1.00 0.00 N ATOM 352 CA TRP A 23 169.289 9.821 5.309 1.00 0.00 C ATOM 353 C TRP A 23 169.163 10.086 3.806 1.00 0.00 C ATOM 354 O TRP A 23 168.140 9.759 3.202 1.00 0.00 O ATOM 355 CB TRP A 23 169.287 11.145 6.080 1.00 0.00 C ATOM 356 CG TRP A 23 167.951 11.496 6.666 1.00 0.00 C ATOM 357 CD1 TRP A 23 167.331 10.888 7.721 1.00 0.00 C ATOM 358 CD2 TRP A 23 167.072 12.542 6.233 1.00 0.00 C ATOM 359 NE1 TRP A 23 166.124 11.493 7.972 1.00 0.00 N ATOM 360 CE2 TRP A 23 165.942 12.511 7.073 1.00 0.00 C ATOM 361 CE3 TRP A 23 167.131 13.503 5.219 1.00 0.00 C ATOM 362 CZ2 TRP A 23 164.883 13.404 6.929 1.00 0.00 C ATOM 363 CZ3 TRP A 23 166.078 14.388 5.077 1.00 0.00 C ATOM 364 CH2 TRP A 23 164.968 14.334 5.929 1.00 0.00 C ATOM 0 H TRP A 23 171.191 9.558 6.162 1.00 0.00 H new ATOM 0 HA TRP A 23 168.430 9.228 5.622 1.00 0.00 H new ATOM 0 HB2 TRP A 23 170.023 11.090 6.882 1.00 0.00 H new ATOM 0 HB3 TRP A 23 169.603 11.946 5.411 1.00 0.00 H new ATOM 0 HD1 TRP A 23 167.732 10.053 8.277 1.00 0.00 H new ATOM 0 HE1 TRP A 23 165.469 11.228 8.708 1.00 0.00 H new ATOM 0 HE3 TRP A 23 167.984 13.553 4.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 164.025 13.364 7.584 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 166.112 15.133 4.296 1.00 0.00 H new ATOM 0 HH2 TRP A 23 164.163 15.041 5.794 1.00 0.00 H new ATOM 375 N PRO A 24 170.201 10.684 3.177 1.00 0.00 N ATOM 376 CA PRO A 24 170.181 10.984 1.740 1.00 0.00 C ATOM 377 C PRO A 24 170.427 9.751 0.869 1.00 0.00 C ATOM 378 O PRO A 24 170.079 9.742 -0.312 1.00 0.00 O ATOM 379 CB PRO A 24 171.322 11.986 1.579 1.00 0.00 C ATOM 380 CG PRO A 24 172.288 11.637 2.658 1.00 0.00 C ATOM 381 CD PRO A 24 171.467 11.115 3.810 1.00 0.00 C ATOM 0 HA PRO A 24 169.209 11.358 1.419 1.00 0.00 H new ATOM 0 HB2 PRO A 24 171.783 11.906 0.594 1.00 0.00 H new ATOM 0 HB3 PRO A 24 170.966 13.011 1.683 1.00 0.00 H new ATOM 0 HG2 PRO A 24 172.999 10.885 2.315 1.00 0.00 H new ATOM 0 HG3 PRO A 24 172.868 12.510 2.958 1.00 0.00 H new ATOM 0 HD2 PRO A 24 171.965 10.286 4.312 1.00 0.00 H new ATOM 0 HD3 PRO A 24 171.296 11.886 4.561 1.00 0.00 H new ATOM 389 N PHE A 25 171.027 8.713 1.456 1.00 0.00 N ATOM 390 CA PHE A 25 171.315 7.479 0.730 1.00 0.00 C ATOM 391 C PHE A 25 170.249 6.411 0.998 1.00 0.00 C ATOM 392 O PHE A 25 170.500 5.217 0.823 1.00 0.00 O ATOM 393 CB PHE A 25 172.698 6.949 1.119 1.00 0.00 C ATOM 394 CG PHE A 25 173.766 7.247 0.103 1.00 0.00 C ATOM 395 CD1 PHE A 25 173.715 6.681 -1.161 1.00 0.00 C ATOM 396 CD2 PHE A 25 174.820 8.090 0.415 1.00 0.00 C ATOM 397 CE1 PHE A 25 174.697 6.951 -2.095 1.00 0.00 C ATOM 398 CE2 PHE A 25 175.804 8.364 -0.515 1.00 0.00 C ATOM 399 CZ PHE A 25 175.743 7.794 -1.771 1.00 0.00 C ATOM 0 H PHE A 25 171.322 8.705 2.432 1.00 0.00 H new ATOM 0 HA PHE A 25 171.303 7.707 -0.336 1.00 0.00 H new ATOM 0 HB2 PHE A 25 172.988 7.383 2.076 1.00 0.00 H new ATOM 0 HB3 PHE A 25 172.637 5.870 1.263 1.00 0.00 H new ATOM 0 HD1 PHE A 25 172.899 6.022 -1.419 1.00 0.00 H new ATOM 0 HD2 PHE A 25 174.873 8.538 1.396 1.00 0.00 H new ATOM 0 HE1 PHE A 25 174.647 6.504 -3.077 1.00 0.00 H new ATOM 0 HE2 PHE A 25 176.620 9.024 -0.260 1.00 0.00 H new ATOM 0 HZ PHE A 25 176.512 8.007 -2.499 1.00 0.00 H new ATOM 409 N TYR A 26 169.057 6.845 1.412 1.00 0.00 N ATOM 410 CA TYR A 26 167.961 5.921 1.689 1.00 0.00 C ATOM 411 C TYR A 26 167.330 5.426 0.389 1.00 0.00 C ATOM 412 O TYR A 26 167.042 4.237 0.242 1.00 0.00 O ATOM 413 CB TYR A 26 166.898 6.596 2.561 1.00 0.00 C ATOM 414 CG TYR A 26 166.902 6.133 4.004 1.00 0.00 C ATOM 415 CD1 TYR A 26 167.005 4.784 4.326 1.00 0.00 C ATOM 416 CD2 TYR A 26 166.805 7.049 5.043 1.00 0.00 C ATOM 417 CE1 TYR A 26 167.012 4.364 5.642 1.00 0.00 C ATOM 418 CE2 TYR A 26 166.810 6.636 6.361 1.00 0.00 C ATOM 419 CZ TYR A 26 166.914 5.294 6.656 1.00 0.00 C ATOM 420 OH TYR A 26 166.920 4.880 7.968 1.00 0.00 O ATOM 0 H TYR A 26 168.829 7.828 1.562 1.00 0.00 H new ATOM 0 HA TYR A 26 168.368 5.065 2.227 1.00 0.00 H new ATOM 0 HB2 TYR A 26 167.053 7.675 2.535 1.00 0.00 H new ATOM 0 HB3 TYR A 26 165.915 6.405 2.131 1.00 0.00 H new ATOM 0 HD1 TYR A 26 167.081 4.053 3.535 1.00 0.00 H new ATOM 0 HD2 TYR A 26 166.724 8.102 4.817 1.00 0.00 H new ATOM 0 HE1 TYR A 26 167.094 3.313 5.876 1.00 0.00 H new ATOM 0 HE2 TYR A 26 166.733 7.362 7.157 1.00 0.00 H new ATOM 0 HH TYR A 26 166.222 4.205 8.101 1.00 0.00 H new ATOM 430 N LYS A 27 167.121 6.349 -0.549 1.00 0.00 N ATOM 431 CA LYS A 27 166.525 6.017 -1.844 1.00 0.00 C ATOM 432 C LYS A 27 167.593 5.943 -2.941 1.00 0.00 C ATOM 433 O LYS A 27 168.676 6.513 -2.802 1.00 0.00 O ATOM 434 CB LYS A 27 165.461 7.055 -2.219 1.00 0.00 C ATOM 435 CG LYS A 27 164.343 7.193 -1.193 1.00 0.00 C ATOM 436 CD LYS A 27 163.642 5.866 -0.941 1.00 0.00 C ATOM 437 CE LYS A 27 162.394 6.048 -0.087 1.00 0.00 C ATOM 438 NZ LYS A 27 161.283 5.147 -0.512 1.00 0.00 N ATOM 0 H LYS A 27 167.356 7.335 -0.436 1.00 0.00 H new ATOM 0 HA LYS A 27 166.056 5.037 -1.757 1.00 0.00 H new ATOM 0 HB2 LYS A 27 165.943 8.024 -2.349 1.00 0.00 H new ATOM 0 HB3 LYS A 27 165.026 6.784 -3.181 1.00 0.00 H new ATOM 0 HG2 LYS A 27 164.753 7.571 -0.257 1.00 0.00 H new ATOM 0 HG3 LYS A 27 163.617 7.927 -1.543 1.00 0.00 H new ATOM 0 HD2 LYS A 27 163.370 5.411 -1.893 1.00 0.00 H new ATOM 0 HD3 LYS A 27 164.328 5.180 -0.444 1.00 0.00 H new ATOM 0 HE2 LYS A 27 162.639 5.852 0.957 1.00 0.00 H new ATOM 0 HE3 LYS A 27 162.062 7.085 -0.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 160.455 5.306 0.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 161.030 5.350 -1.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 161.589 4.156 -0.429 1.00 0.00 H new ATOM 452 N PRO A 28 167.297 5.231 -4.050 1.00 0.00 N ATOM 453 CA PRO A 28 168.235 5.079 -5.174 1.00 0.00 C ATOM 454 C PRO A 28 168.342 6.343 -6.031 1.00 0.00 C ATOM 455 O PRO A 28 167.735 7.370 -5.719 1.00 0.00 O ATOM 456 CB PRO A 28 167.622 3.933 -5.981 1.00 0.00 C ATOM 457 CG PRO A 28 166.160 4.023 -5.710 1.00 0.00 C ATOM 458 CD PRO A 28 166.026 4.516 -4.294 1.00 0.00 C ATOM 0 HA PRO A 28 169.253 4.890 -4.834 1.00 0.00 H new ATOM 0 HB2 PRO A 28 167.835 4.039 -7.045 1.00 0.00 H new ATOM 0 HB3 PRO A 28 168.024 2.969 -5.669 1.00 0.00 H new ATOM 0 HG2 PRO A 28 165.676 4.706 -6.408 1.00 0.00 H new ATOM 0 HG3 PRO A 28 165.681 3.051 -5.831 1.00 0.00 H new ATOM 0 HD2 PRO A 28 165.167 5.177 -4.180 1.00 0.00 H new ATOM 0 HD3 PRO A 28 165.890 3.692 -3.594 1.00 0.00 H new ATOM 466 N VAL A 29 169.117 6.258 -7.115 1.00 0.00 N ATOM 467 CA VAL A 29 169.301 7.392 -8.018 1.00 0.00 C ATOM 468 C VAL A 29 168.309 7.340 -9.183 1.00 0.00 C ATOM 469 O VAL A 29 168.647 6.913 -10.290 1.00 0.00 O ATOM 470 CB VAL A 29 170.746 7.467 -8.564 1.00 0.00 C ATOM 471 CG1 VAL A 29 171.698 7.943 -7.477 1.00 0.00 C ATOM 472 CG2 VAL A 29 171.196 6.123 -9.126 1.00 0.00 C ATOM 0 H VAL A 29 169.625 5.417 -7.387 1.00 0.00 H new ATOM 0 HA VAL A 29 169.111 8.291 -7.432 1.00 0.00 H new ATOM 0 HB VAL A 29 170.762 8.188 -9.381 1.00 0.00 H new ATOM 0 HG11 VAL A 29 172.711 7.991 -7.876 1.00 0.00 H new ATOM 0 HG12 VAL A 29 171.395 8.933 -7.136 1.00 0.00 H new ATOM 0 HG13 VAL A 29 171.671 7.247 -6.639 1.00 0.00 H new ATOM 0 HG21 VAL A 29 172.216 6.209 -9.502 1.00 0.00 H new ATOM 0 HG22 VAL A 29 171.162 5.370 -8.339 1.00 0.00 H new ATOM 0 HG23 VAL A 29 170.533 5.828 -9.940 1.00 0.00 H new ATOM 482 N ASP A 30 167.078 7.779 -8.916 1.00 0.00 N ATOM 483 CA ASP A 30 166.018 7.792 -9.926 1.00 0.00 C ATOM 484 C ASP A 30 166.402 8.670 -11.117 1.00 0.00 C ATOM 485 O ASP A 30 166.354 9.898 -11.034 1.00 0.00 O ATOM 486 CB ASP A 30 164.710 8.300 -9.307 1.00 0.00 C ATOM 487 CG ASP A 30 163.713 7.188 -9.029 1.00 0.00 C ATOM 488 OD1 ASP A 30 164.142 6.087 -8.620 1.00 0.00 O ATOM 489 OD2 ASP A 30 162.501 7.422 -9.214 1.00 0.00 O ATOM 0 H ASP A 30 166.789 8.132 -8.004 1.00 0.00 H new ATOM 0 HA ASP A 30 165.879 6.772 -10.284 1.00 0.00 H new ATOM 0 HB2 ASP A 30 164.934 8.821 -8.376 1.00 0.00 H new ATOM 0 HB3 ASP A 30 164.256 9.028 -9.979 1.00 0.00 H new ATOM 494 N VAL A 31 166.785 8.034 -12.224 1.00 0.00 N ATOM 495 CA VAL A 31 167.180 8.764 -13.429 1.00 0.00 C ATOM 496 C VAL A 31 166.030 9.617 -13.977 1.00 0.00 C ATOM 497 O VAL A 31 166.255 10.725 -14.463 1.00 0.00 O ATOM 498 CB VAL A 31 167.698 7.806 -14.529 1.00 0.00 C ATOM 499 CG1 VAL A 31 166.600 6.866 -15.011 1.00 0.00 C ATOM 500 CG2 VAL A 31 168.290 8.592 -15.692 1.00 0.00 C ATOM 0 H VAL A 31 166.830 7.019 -12.312 1.00 0.00 H new ATOM 0 HA VAL A 31 167.993 9.430 -13.139 1.00 0.00 H new ATOM 0 HB VAL A 31 168.487 7.193 -14.092 1.00 0.00 H new ATOM 0 HG11 VAL A 31 166.998 6.207 -15.783 1.00 0.00 H new ATOM 0 HG12 VAL A 31 166.240 6.268 -14.174 1.00 0.00 H new ATOM 0 HG13 VAL A 31 165.776 7.449 -15.421 1.00 0.00 H new ATOM 0 HG21 VAL A 31 168.648 7.900 -16.454 1.00 0.00 H new ATOM 0 HG22 VAL A 31 167.525 9.239 -16.121 1.00 0.00 H new ATOM 0 HG23 VAL A 31 169.121 9.200 -15.335 1.00 0.00 H new ATOM 510 N GLU A 32 164.802 9.100 -13.896 1.00 0.00 N ATOM 511 CA GLU A 32 163.628 9.828 -14.382 1.00 0.00 C ATOM 512 C GLU A 32 163.279 11.003 -13.465 1.00 0.00 C ATOM 513 O GLU A 32 163.019 12.110 -13.939 1.00 0.00 O ATOM 514 CB GLU A 32 162.427 8.886 -14.509 1.00 0.00 C ATOM 515 CG GLU A 32 162.605 7.825 -15.583 1.00 0.00 C ATOM 516 CD GLU A 32 161.461 6.833 -15.622 1.00 0.00 C ATOM 517 OE1 GLU A 32 161.474 5.878 -14.818 1.00 0.00 O ATOM 518 OE2 GLU A 32 160.550 7.011 -16.459 1.00 0.00 O ATOM 0 H GLU A 32 164.595 8.183 -13.500 1.00 0.00 H new ATOM 0 HA GLU A 32 163.872 10.228 -15.366 1.00 0.00 H new ATOM 0 HB2 GLU A 32 162.255 8.397 -13.550 1.00 0.00 H new ATOM 0 HB3 GLU A 32 161.536 9.473 -14.732 1.00 0.00 H new ATOM 0 HG2 GLU A 32 162.693 8.310 -16.555 1.00 0.00 H new ATOM 0 HG3 GLU A 32 163.538 7.290 -15.408 1.00 0.00 H new ATOM 525 N ALA A 33 163.265 10.752 -12.153 1.00 0.00 N ATOM 526 CA ALA A 33 162.937 11.789 -11.172 1.00 0.00 C ATOM 527 C ALA A 33 164.053 12.824 -11.041 1.00 0.00 C ATOM 528 O ALA A 33 163.792 14.027 -11.038 1.00 0.00 O ATOM 529 CB ALA A 33 162.640 11.163 -9.815 1.00 0.00 C ATOM 0 H ALA A 33 163.477 9.841 -11.746 1.00 0.00 H new ATOM 0 HA ALA A 33 162.047 12.306 -11.531 1.00 0.00 H new ATOM 0 HB1 ALA A 33 162.398 11.947 -9.098 1.00 0.00 H new ATOM 0 HB2 ALA A 33 161.794 10.481 -9.906 1.00 0.00 H new ATOM 0 HB3 ALA A 33 163.515 10.612 -9.469 1.00 0.00 H new ATOM 535 N LEU A 34 165.294 12.353 -10.922 1.00 0.00 N ATOM 536 CA LEU A 34 166.442 13.247 -10.776 1.00 0.00 C ATOM 537 C LEU A 34 166.900 13.812 -12.122 1.00 0.00 C ATOM 538 O LEU A 34 167.566 14.848 -12.167 1.00 0.00 O ATOM 539 CB LEU A 34 167.608 12.511 -10.113 1.00 0.00 C ATOM 540 CG LEU A 34 167.319 11.957 -8.716 1.00 0.00 C ATOM 541 CD1 LEU A 34 168.269 10.814 -8.389 1.00 0.00 C ATOM 542 CD2 LEU A 34 167.424 13.064 -7.675 1.00 0.00 C ATOM 0 H LEU A 34 165.530 11.361 -10.924 1.00 0.00 H new ATOM 0 HA LEU A 34 166.124 14.079 -10.148 1.00 0.00 H new ATOM 0 HB2 LEU A 34 167.910 11.686 -10.758 1.00 0.00 H new ATOM 0 HB3 LEU A 34 168.457 13.192 -10.048 1.00 0.00 H new ATOM 0 HG LEU A 34 166.301 11.567 -8.699 1.00 0.00 H new ATOM 0 HD11 LEU A 34 168.049 10.432 -7.392 1.00 0.00 H new ATOM 0 HD12 LEU A 34 168.142 10.015 -9.120 1.00 0.00 H new ATOM 0 HD13 LEU A 34 169.297 11.175 -8.421 1.00 0.00 H new ATOM 0 HD21 LEU A 34 167.216 12.655 -6.686 1.00 0.00 H new ATOM 0 HD22 LEU A 34 168.430 13.483 -7.690 1.00 0.00 H new ATOM 0 HD23 LEU A 34 166.701 13.847 -7.903 1.00 0.00 H new ATOM 554 N GLY A 35 166.546 13.131 -13.213 1.00 0.00 N ATOM 555 CA GLY A 35 166.939 13.587 -14.535 1.00 0.00 C ATOM 556 C GLY A 35 168.440 13.533 -14.743 1.00 0.00 C ATOM 557 O GLY A 35 169.038 14.501 -15.216 1.00 0.00 O ATOM 0 H GLY A 35 165.995 12.273 -13.203 1.00 0.00 H new ATOM 0 HA2 GLY A 35 166.448 12.972 -15.289 1.00 0.00 H new ATOM 0 HA3 GLY A 35 166.591 14.610 -14.682 1.00 0.00 H new ATOM 561 N LEU A 36 169.052 12.401 -14.389 1.00 0.00 N ATOM 562 CA LEU A 36 170.497 12.232 -14.541 1.00 0.00 C ATOM 563 C LEU A 36 170.823 11.048 -15.452 1.00 0.00 C ATOM 564 O LEU A 36 171.344 10.025 -15.003 1.00 0.00 O ATOM 565 CB LEU A 36 171.178 12.058 -13.172 1.00 0.00 C ATOM 566 CG LEU A 36 170.343 11.362 -12.089 1.00 0.00 C ATOM 567 CD1 LEU A 36 170.320 9.856 -12.308 1.00 0.00 C ATOM 568 CD2 LEU A 36 170.890 11.691 -10.705 1.00 0.00 C ATOM 0 H LEU A 36 168.571 11.591 -13.997 1.00 0.00 H new ATOM 0 HA LEU A 36 170.886 13.137 -15.007 1.00 0.00 H new ATOM 0 HB2 LEU A 36 172.097 11.490 -13.315 1.00 0.00 H new ATOM 0 HB3 LEU A 36 171.466 13.043 -12.804 1.00 0.00 H new ATOM 0 HG LEU A 36 169.320 11.731 -12.156 1.00 0.00 H new ATOM 0 HD11 LEU A 36 169.722 9.384 -11.528 1.00 0.00 H new ATOM 0 HD12 LEU A 36 169.884 9.637 -13.282 1.00 0.00 H new ATOM 0 HD13 LEU A 36 171.338 9.467 -12.270 1.00 0.00 H new ATOM 0 HD21 LEU A 36 170.287 11.190 -9.947 1.00 0.00 H new ATOM 0 HD22 LEU A 36 171.923 11.350 -10.631 1.00 0.00 H new ATOM 0 HD23 LEU A 36 170.852 12.769 -10.545 1.00 0.00 H new ATOM 580 N HIS A 37 170.523 11.200 -16.742 1.00 0.00 N ATOM 581 CA HIS A 37 170.794 10.148 -17.720 1.00 0.00 C ATOM 582 C HIS A 37 172.299 9.902 -17.876 1.00 0.00 C ATOM 583 O HIS A 37 172.710 8.853 -18.375 1.00 0.00 O ATOM 584 CB HIS A 37 170.179 10.505 -19.075 1.00 0.00 C ATOM 585 CG HIS A 37 168.687 10.380 -19.102 1.00 0.00 C ATOM 586 ND1 HIS A 37 168.034 9.173 -19.246 1.00 0.00 N ATOM 587 CD2 HIS A 37 167.716 11.319 -18.995 1.00 0.00 C ATOM 588 CE1 HIS A 37 166.729 9.375 -19.229 1.00 0.00 C ATOM 589 NE2 HIS A 37 166.510 10.668 -19.077 1.00 0.00 N ATOM 0 H HIS A 37 170.094 12.039 -17.132 1.00 0.00 H new ATOM 0 HA HIS A 37 170.337 9.230 -17.351 1.00 0.00 H new ATOM 0 HB2 HIS A 37 170.455 11.527 -19.333 1.00 0.00 H new ATOM 0 HB3 HIS A 37 170.605 9.857 -19.841 1.00 0.00 H new ATOM 0 HD2 HIS A 37 167.863 12.381 -18.869 1.00 0.00 H new ATOM 0 HE1 HIS A 37 165.970 8.612 -19.323 1.00 0.00 H new ATOM 0 HE2 HIS A 37 165.593 11.112 -19.028 1.00 0.00 H new ATOM 598 N ASP A 38 173.118 10.866 -17.439 1.00 0.00 N ATOM 599 CA ASP A 38 174.571 10.736 -17.529 1.00 0.00 C ATOM 600 C ASP A 38 175.113 9.793 -16.452 1.00 0.00 C ATOM 601 O ASP A 38 176.218 9.267 -16.585 1.00 0.00 O ATOM 602 CB ASP A 38 175.240 12.107 -17.395 1.00 0.00 C ATOM 603 CG ASP A 38 175.131 12.935 -18.661 1.00 0.00 C ATOM 604 OD1 ASP A 38 174.055 13.526 -18.892 1.00 0.00 O ATOM 605 OD2 ASP A 38 176.121 12.995 -19.419 1.00 0.00 O ATOM 0 H ASP A 38 172.798 11.740 -17.022 1.00 0.00 H new ATOM 0 HA ASP A 38 174.804 10.314 -18.507 1.00 0.00 H new ATOM 0 HB2 ASP A 38 174.783 12.651 -16.569 1.00 0.00 H new ATOM 0 HB3 ASP A 38 176.292 11.971 -17.144 1.00 0.00 H new ATOM 610 N TYR A 39 174.329 9.574 -15.392 1.00 0.00 N ATOM 611 CA TYR A 39 174.737 8.687 -14.306 1.00 0.00 C ATOM 612 C TYR A 39 175.017 7.279 -14.830 1.00 0.00 C ATOM 613 O TYR A 39 175.976 6.632 -14.408 1.00 0.00 O ATOM 614 CB TYR A 39 173.658 8.634 -13.224 1.00 0.00 C ATOM 615 CG TYR A 39 174.200 8.402 -11.830 1.00 0.00 C ATOM 616 CD1 TYR A 39 174.617 7.139 -11.424 1.00 0.00 C ATOM 617 CD2 TYR A 39 174.293 9.447 -10.918 1.00 0.00 C ATOM 618 CE1 TYR A 39 175.110 6.926 -10.151 1.00 0.00 C ATOM 619 CE2 TYR A 39 174.785 9.241 -9.644 1.00 0.00 C ATOM 620 CZ TYR A 39 175.192 7.979 -9.265 1.00 0.00 C ATOM 621 OH TYR A 39 175.681 7.770 -7.996 1.00 0.00 O ATOM 0 H TYR A 39 173.411 9.999 -15.266 1.00 0.00 H new ATOM 0 HA TYR A 39 175.654 9.086 -13.873 1.00 0.00 H new ATOM 0 HB2 TYR A 39 173.099 9.570 -13.235 1.00 0.00 H new ATOM 0 HB3 TYR A 39 172.953 7.839 -13.466 1.00 0.00 H new ATOM 0 HD1 TYR A 39 174.554 6.311 -12.115 1.00 0.00 H new ATOM 0 HD2 TYR A 39 173.975 10.437 -11.211 1.00 0.00 H new ATOM 0 HE1 TYR A 39 175.430 5.939 -9.851 1.00 0.00 H new ATOM 0 HE2 TYR A 39 174.851 10.064 -8.948 1.00 0.00 H new ATOM 0 HH TYR A 39 175.673 8.615 -7.499 1.00 0.00 H new ATOM 631 N CYS A 40 174.176 6.813 -15.758 1.00 0.00 N ATOM 632 CA CYS A 40 174.341 5.484 -16.345 1.00 0.00 C ATOM 633 C CYS A 40 175.630 5.408 -17.161 1.00 0.00 C ATOM 634 O CYS A 40 176.342 4.404 -17.117 1.00 0.00 O ATOM 635 CB CYS A 40 173.141 5.134 -17.231 1.00 0.00 C ATOM 636 SG CYS A 40 172.819 3.359 -17.367 1.00 0.00 S ATOM 0 H CYS A 40 173.377 7.336 -16.117 1.00 0.00 H new ATOM 0 HA CYS A 40 174.401 4.762 -15.531 1.00 0.00 H new ATOM 0 HB2 CYS A 40 172.253 5.624 -16.832 1.00 0.00 H new ATOM 0 HB3 CYS A 40 173.308 5.540 -18.229 1.00 0.00 H new ATOM 0 HG CYS A 40 171.787 3.163 -18.133 1.00 0.00 H new ATOM 642 N ASP A 41 175.930 6.480 -17.899 1.00 0.00 N ATOM 643 CA ASP A 41 177.140 6.535 -18.715 1.00 0.00 C ATOM 644 C ASP A 41 178.390 6.508 -17.837 1.00 0.00 C ATOM 645 O ASP A 41 179.402 5.909 -18.205 1.00 0.00 O ATOM 646 CB ASP A 41 177.144 7.791 -19.595 1.00 0.00 C ATOM 647 CG ASP A 41 176.374 7.604 -20.892 1.00 0.00 C ATOM 648 OD1 ASP A 41 176.453 6.505 -21.482 1.00 0.00 O ATOM 649 OD2 ASP A 41 175.695 8.561 -21.319 1.00 0.00 O ATOM 0 H ASP A 41 175.351 7.319 -17.947 1.00 0.00 H new ATOM 0 HA ASP A 41 177.149 5.656 -19.359 1.00 0.00 H new ATOM 0 HB2 ASP A 41 176.711 8.621 -19.037 1.00 0.00 H new ATOM 0 HB3 ASP A 41 178.174 8.064 -19.825 1.00 0.00 H new ATOM 654 N ILE A 42 178.311 7.156 -16.674 1.00 0.00 N ATOM 655 CA ILE A 42 179.434 7.201 -15.742 1.00 0.00 C ATOM 656 C ILE A 42 179.565 5.888 -14.965 1.00 0.00 C ATOM 657 O ILE A 42 180.660 5.335 -14.851 1.00 0.00 O ATOM 658 CB ILE A 42 179.301 8.365 -14.735 1.00 0.00 C ATOM 659 CG1 ILE A 42 179.043 9.688 -15.463 1.00 0.00 C ATOM 660 CG2 ILE A 42 180.554 8.467 -13.876 1.00 0.00 C ATOM 661 CD1 ILE A 42 178.225 10.671 -14.653 1.00 0.00 C ATOM 0 H ILE A 42 177.481 7.656 -16.357 1.00 0.00 H new ATOM 0 HA ILE A 42 180.327 7.357 -16.347 1.00 0.00 H new ATOM 0 HB ILE A 42 178.449 8.161 -14.087 1.00 0.00 H new ATOM 0 HG12 ILE A 42 179.999 10.146 -15.718 1.00 0.00 H new ATOM 0 HG13 ILE A 42 178.527 9.483 -16.401 1.00 0.00 H new ATOM 0 HG21 ILE A 42 180.446 9.291 -13.171 1.00 0.00 H new ATOM 0 HG22 ILE A 42 180.695 7.536 -13.327 1.00 0.00 H new ATOM 0 HG23 ILE A 42 181.419 8.646 -14.514 1.00 0.00 H new ATOM 0 HD11 ILE A 42 178.080 11.585 -15.229 1.00 0.00 H new ATOM 0 HD12 ILE A 42 177.255 10.232 -14.420 1.00 0.00 H new ATOM 0 HD13 ILE A 42 178.750 10.905 -13.727 1.00 0.00 H new ATOM 673 N ILE A 43 178.446 5.401 -14.424 1.00 0.00 N ATOM 674 CA ILE A 43 178.442 4.160 -13.650 1.00 0.00 C ATOM 675 C ILE A 43 177.952 2.983 -14.491 1.00 0.00 C ATOM 676 O ILE A 43 176.751 2.836 -14.725 1.00 0.00 O ATOM 677 CB ILE A 43 177.559 4.282 -12.387 1.00 0.00 C ATOM 678 CG1 ILE A 43 177.910 5.551 -11.601 1.00 0.00 C ATOM 679 CG2 ILE A 43 177.709 3.048 -11.506 1.00 0.00 C ATOM 680 CD1 ILE A 43 179.328 5.569 -11.068 1.00 0.00 C ATOM 0 H ILE A 43 177.533 5.847 -14.508 1.00 0.00 H new ATOM 0 HA ILE A 43 179.473 3.978 -13.345 1.00 0.00 H new ATOM 0 HB ILE A 43 176.519 4.353 -12.704 1.00 0.00 H new ATOM 0 HG12 ILE A 43 177.763 6.418 -12.245 1.00 0.00 H new ATOM 0 HG13 ILE A 43 177.217 5.653 -10.766 1.00 0.00 H new ATOM 0 HG21 ILE A 43 177.080 3.153 -10.622 1.00 0.00 H new ATOM 0 HG22 ILE A 43 177.405 2.163 -12.065 1.00 0.00 H new ATOM 0 HG23 ILE A 43 178.750 2.944 -11.200 1.00 0.00 H new ATOM 0 HD11 ILE A 43 179.500 6.498 -10.524 1.00 0.00 H new ATOM 0 HD12 ILE A 43 179.475 4.723 -10.397 1.00 0.00 H new ATOM 0 HD13 ILE A 43 180.030 5.500 -11.899 1.00 0.00 H new ATOM 692 N LYS A 44 178.889 2.143 -14.936 1.00 0.00 N ATOM 693 CA LYS A 44 178.553 0.971 -15.748 1.00 0.00 C ATOM 694 C LYS A 44 177.608 0.025 -15.000 1.00 0.00 C ATOM 695 O LYS A 44 176.759 -0.624 -15.613 1.00 0.00 O ATOM 696 CB LYS A 44 179.822 0.218 -16.165 1.00 0.00 C ATOM 697 CG LYS A 44 180.649 -0.296 -14.994 1.00 0.00 C ATOM 698 CD LYS A 44 181.980 -0.866 -15.458 1.00 0.00 C ATOM 699 CE LYS A 44 181.831 -2.289 -15.976 1.00 0.00 C ATOM 700 NZ LYS A 44 182.927 -2.658 -16.915 1.00 0.00 N ATOM 0 H LYS A 44 179.886 2.252 -14.748 1.00 0.00 H new ATOM 0 HA LYS A 44 178.042 1.329 -16.642 1.00 0.00 H new ATOM 0 HB2 LYS A 44 179.541 -0.625 -16.796 1.00 0.00 H new ATOM 0 HB3 LYS A 44 180.441 0.878 -16.772 1.00 0.00 H new ATOM 0 HG2 LYS A 44 180.826 0.516 -14.288 1.00 0.00 H new ATOM 0 HG3 LYS A 44 180.089 -1.065 -14.462 1.00 0.00 H new ATOM 0 HD2 LYS A 44 182.393 -0.234 -16.244 1.00 0.00 H new ATOM 0 HD3 LYS A 44 182.690 -0.852 -14.631 1.00 0.00 H new ATOM 0 HE2 LYS A 44 181.825 -2.982 -15.135 1.00 0.00 H new ATOM 0 HE3 LYS A 44 180.871 -2.392 -16.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 182.788 -3.635 -17.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 182.917 -2.013 -17.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 183.842 -2.585 -16.426 1.00 0.00 H new ATOM 714 N HIS A 45 177.761 -0.047 -13.675 1.00 0.00 N ATOM 715 CA HIS A 45 176.921 -0.910 -12.847 1.00 0.00 C ATOM 716 C HIS A 45 176.244 -0.100 -11.739 1.00 0.00 C ATOM 717 O HIS A 45 176.789 0.043 -10.642 1.00 0.00 O ATOM 718 CB HIS A 45 177.756 -2.043 -12.243 1.00 0.00 C ATOM 719 CG HIS A 45 177.197 -3.407 -12.506 1.00 0.00 C ATOM 720 ND1 HIS A 45 177.159 -3.976 -13.763 1.00 0.00 N ATOM 721 CD2 HIS A 45 176.653 -4.320 -11.666 1.00 0.00 C ATOM 722 CE1 HIS A 45 176.616 -5.179 -13.683 1.00 0.00 C ATOM 723 NE2 HIS A 45 176.302 -5.410 -12.422 1.00 0.00 N ATOM 0 H HIS A 45 178.460 0.483 -13.154 1.00 0.00 H new ATOM 0 HA HIS A 45 176.146 -1.345 -13.478 1.00 0.00 H new ATOM 0 HB2 HIS A 45 178.768 -1.991 -12.645 1.00 0.00 H new ATOM 0 HB3 HIS A 45 177.832 -1.892 -11.166 1.00 0.00 H new ATOM 0 HD2 HIS A 45 176.520 -4.210 -10.600 1.00 0.00 H new ATOM 0 HE1 HIS A 45 176.457 -5.857 -14.509 1.00 0.00 H new ATOM 0 HE2 HIS A 45 175.868 -6.262 -12.067 1.00 0.00 H new ATOM 732 N PRO A 46 175.044 0.451 -12.016 1.00 0.00 N ATOM 733 CA PRO A 46 174.295 1.258 -11.041 1.00 0.00 C ATOM 734 C PRO A 46 173.795 0.435 -9.853 1.00 0.00 C ATOM 735 O PRO A 46 173.094 -0.564 -10.031 1.00 0.00 O ATOM 736 CB PRO A 46 173.116 1.801 -11.855 1.00 0.00 C ATOM 737 CG PRO A 46 172.950 0.835 -12.977 1.00 0.00 C ATOM 738 CD PRO A 46 174.329 0.336 -13.302 1.00 0.00 C ATOM 0 HA PRO A 46 174.918 2.035 -10.598 1.00 0.00 H new ATOM 0 HB2 PRO A 46 172.212 1.862 -11.249 1.00 0.00 H new ATOM 0 HB3 PRO A 46 173.320 2.806 -12.225 1.00 0.00 H new ATOM 0 HG2 PRO A 46 172.295 0.012 -12.690 1.00 0.00 H new ATOM 0 HG3 PRO A 46 172.495 1.317 -13.843 1.00 0.00 H new ATOM 0 HD2 PRO A 46 174.310 -0.693 -13.661 1.00 0.00 H new ATOM 0 HD3 PRO A 46 174.801 0.936 -14.080 1.00 0.00 H new ATOM 746 N MET A 47 174.160 0.861 -8.643 1.00 0.00 N ATOM 747 CA MET A 47 173.750 0.166 -7.425 1.00 0.00 C ATOM 748 C MET A 47 173.707 1.127 -6.236 1.00 0.00 C ATOM 749 O MET A 47 174.654 1.880 -6.002 1.00 0.00 O ATOM 750 CB MET A 47 174.704 -0.998 -7.131 1.00 0.00 C ATOM 751 CG MET A 47 174.005 -2.242 -6.603 1.00 0.00 C ATOM 752 SD MET A 47 172.815 -2.925 -7.774 1.00 0.00 S ATOM 753 CE MET A 47 172.473 -4.516 -7.024 1.00 0.00 C ATOM 0 H MET A 47 174.739 1.685 -8.482 1.00 0.00 H new ATOM 0 HA MET A 47 172.746 -0.230 -7.580 1.00 0.00 H new ATOM 0 HB2 MET A 47 175.243 -1.254 -8.043 1.00 0.00 H new ATOM 0 HB3 MET A 47 175.447 -0.673 -6.403 1.00 0.00 H new ATOM 0 HG2 MET A 47 174.752 -3.000 -6.367 1.00 0.00 H new ATOM 0 HG3 MET A 47 173.493 -1.998 -5.672 1.00 0.00 H new ATOM 0 HE1 MET A 47 172.744 -5.311 -7.719 1.00 0.00 H new ATOM 0 HE2 MET A 47 173.056 -4.620 -6.109 1.00 0.00 H new ATOM 0 HE3 MET A 47 171.411 -4.586 -6.788 1.00 0.00 H new ATOM 763 N ASP A 48 172.601 1.094 -5.490 1.00 0.00 N ATOM 764 CA ASP A 48 172.427 1.961 -4.324 1.00 0.00 C ATOM 765 C ASP A 48 171.995 1.152 -3.101 1.00 0.00 C ATOM 766 O ASP A 48 171.621 -0.017 -3.221 1.00 0.00 O ATOM 767 CB ASP A 48 171.386 3.048 -4.624 1.00 0.00 C ATOM 768 CG ASP A 48 172.014 4.366 -5.045 1.00 0.00 C ATOM 769 OD1 ASP A 48 172.958 4.346 -5.864 1.00 0.00 O ATOM 770 OD2 ASP A 48 171.557 5.421 -4.557 1.00 0.00 O ATOM 0 H ASP A 48 171.811 0.475 -5.673 1.00 0.00 H new ATOM 0 HA ASP A 48 173.386 2.432 -4.105 1.00 0.00 H new ATOM 0 HB2 ASP A 48 170.721 2.699 -5.414 1.00 0.00 H new ATOM 0 HB3 ASP A 48 170.772 3.210 -3.738 1.00 0.00 H new ATOM 775 N MET A 49 172.044 1.781 -1.924 1.00 0.00 N ATOM 776 CA MET A 49 171.651 1.116 -0.679 1.00 0.00 C ATOM 777 C MET A 49 170.223 0.580 -0.769 1.00 0.00 C ATOM 778 O MET A 49 169.949 -0.540 -0.340 1.00 0.00 O ATOM 779 CB MET A 49 171.773 2.074 0.511 1.00 0.00 C ATOM 780 CG MET A 49 172.243 1.395 1.790 1.00 0.00 C ATOM 781 SD MET A 49 173.504 2.343 2.665 1.00 0.00 S ATOM 782 CE MET A 49 172.582 3.813 3.107 1.00 0.00 C ATOM 0 H MET A 49 172.351 2.747 -1.807 1.00 0.00 H new ATOM 0 HA MET A 49 172.328 0.276 -0.526 1.00 0.00 H new ATOM 0 HB2 MET A 49 172.470 2.872 0.255 1.00 0.00 H new ATOM 0 HB3 MET A 49 170.805 2.542 0.692 1.00 0.00 H new ATOM 0 HG2 MET A 49 171.388 1.241 2.449 1.00 0.00 H new ATOM 0 HG3 MET A 49 172.640 0.409 1.547 1.00 0.00 H new ATOM 0 HE1 MET A 49 173.203 4.694 2.946 1.00 0.00 H new ATOM 0 HE2 MET A 49 171.687 3.881 2.488 1.00 0.00 H new ATOM 0 HE3 MET A 49 172.293 3.760 4.157 1.00 0.00 H new ATOM 792 N SER A 50 169.318 1.381 -1.338 1.00 0.00 N ATOM 793 CA SER A 50 167.921 0.975 -1.492 1.00 0.00 C ATOM 794 C SER A 50 167.809 -0.260 -2.386 1.00 0.00 C ATOM 795 O SER A 50 167.014 -1.160 -2.114 1.00 0.00 O ATOM 796 CB SER A 50 167.091 2.118 -2.083 1.00 0.00 C ATOM 797 OG SER A 50 165.714 1.954 -1.787 1.00 0.00 O ATOM 0 H SER A 50 169.528 2.312 -1.698 1.00 0.00 H new ATOM 0 HA SER A 50 167.533 0.728 -0.504 1.00 0.00 H new ATOM 0 HB2 SER A 50 167.441 3.070 -1.684 1.00 0.00 H new ATOM 0 HB3 SER A 50 167.232 2.154 -3.163 1.00 0.00 H new ATOM 0 HG SER A 50 165.321 2.824 -1.566 1.00 0.00 H new ATOM 803 N THR A 51 168.613 -0.296 -3.450 1.00 0.00 N ATOM 804 CA THR A 51 168.608 -1.422 -4.381 1.00 0.00 C ATOM 805 C THR A 51 169.066 -2.704 -3.687 1.00 0.00 C ATOM 806 O THR A 51 168.458 -3.762 -3.856 1.00 0.00 O ATOM 807 CB THR A 51 169.507 -1.121 -5.587 1.00 0.00 C ATOM 808 OG1 THR A 51 169.251 0.180 -6.089 1.00 0.00 O ATOM 809 CG2 THR A 51 169.325 -2.097 -6.730 1.00 0.00 C ATOM 0 H THR A 51 169.275 0.442 -3.687 1.00 0.00 H new ATOM 0 HA THR A 51 167.586 -1.569 -4.732 1.00 0.00 H new ATOM 0 HB THR A 51 170.528 -1.209 -5.215 1.00 0.00 H new ATOM 0 HG1 THR A 51 169.835 0.355 -6.857 1.00 0.00 H new ATOM 0 HG21 THR A 51 169.991 -1.826 -7.550 1.00 0.00 H new ATOM 0 HG22 THR A 51 169.561 -3.105 -6.389 1.00 0.00 H new ATOM 0 HG23 THR A 51 168.292 -2.064 -7.076 1.00 0.00 H new ATOM 817 N ILE A 52 170.136 -2.600 -2.898 1.00 0.00 N ATOM 818 CA ILE A 52 170.666 -3.751 -2.173 1.00 0.00 C ATOM 819 C ILE A 52 169.712 -4.171 -1.055 1.00 0.00 C ATOM 820 O ILE A 52 169.427 -5.357 -0.885 1.00 0.00 O ATOM 821 CB ILE A 52 172.060 -3.454 -1.571 1.00 0.00 C ATOM 822 CG1 ILE A 52 173.021 -2.954 -2.655 1.00 0.00 C ATOM 823 CG2 ILE A 52 172.626 -4.696 -0.894 1.00 0.00 C ATOM 824 CD1 ILE A 52 174.293 -2.342 -2.105 1.00 0.00 C ATOM 0 H ILE A 52 170.650 -1.732 -2.746 1.00 0.00 H new ATOM 0 HA ILE A 52 170.765 -4.564 -2.892 1.00 0.00 H new ATOM 0 HB ILE A 52 171.948 -2.671 -0.821 1.00 0.00 H new ATOM 0 HG12 ILE A 52 173.282 -3.786 -3.309 1.00 0.00 H new ATOM 0 HG13 ILE A 52 172.508 -2.214 -3.270 1.00 0.00 H new ATOM 0 HG21 ILE A 52 173.607 -4.468 -0.477 1.00 0.00 H new ATOM 0 HG22 ILE A 52 171.956 -5.012 -0.094 1.00 0.00 H new ATOM 0 HG23 ILE A 52 172.721 -5.498 -1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 52 174.924 -2.011 -2.930 1.00 0.00 H new ATOM 0 HD12 ILE A 52 174.043 -1.489 -1.474 1.00 0.00 H new ATOM 0 HD13 ILE A 52 174.829 -3.085 -1.514 1.00 0.00 H new ATOM 836 N LYS A 53 169.210 -3.192 -0.302 1.00 0.00 N ATOM 837 CA LYS A 53 168.282 -3.467 0.791 1.00 0.00 C ATOM 838 C LYS A 53 166.993 -4.099 0.271 1.00 0.00 C ATOM 839 O LYS A 53 166.408 -4.952 0.936 1.00 0.00 O ATOM 840 CB LYS A 53 167.957 -2.185 1.561 1.00 0.00 C ATOM 841 CG LYS A 53 168.148 -2.312 3.064 1.00 0.00 C ATOM 842 CD LYS A 53 168.870 -1.103 3.642 1.00 0.00 C ATOM 843 CE LYS A 53 167.914 0.058 3.878 1.00 0.00 C ATOM 844 NZ LYS A 53 167.944 1.048 2.763 1.00 0.00 N ATOM 0 H LYS A 53 169.431 -2.204 -0.430 1.00 0.00 H new ATOM 0 HA LYS A 53 168.767 -4.172 1.466 1.00 0.00 H new ATOM 0 HB2 LYS A 53 168.589 -1.378 1.190 1.00 0.00 H new ATOM 0 HB3 LYS A 53 166.925 -1.901 1.357 1.00 0.00 H new ATOM 0 HG2 LYS A 53 167.177 -2.421 3.547 1.00 0.00 H new ATOM 0 HG3 LYS A 53 168.717 -3.215 3.284 1.00 0.00 H new ATOM 0 HD2 LYS A 53 169.348 -1.379 4.582 1.00 0.00 H new ATOM 0 HD3 LYS A 53 169.662 -0.791 2.961 1.00 0.00 H new ATOM 0 HE2 LYS A 53 166.900 -0.326 3.994 1.00 0.00 H new ATOM 0 HE3 LYS A 53 168.174 0.557 4.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 167.278 1.820 2.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 168.905 1.435 2.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 167.670 0.580 1.876 1.00 0.00 H new ATOM 858 N SER A 54 166.558 -3.679 -0.921 1.00 0.00 N ATOM 859 CA SER A 54 165.336 -4.208 -1.527 1.00 0.00 C ATOM 860 C SER A 54 165.417 -5.728 -1.686 1.00 0.00 C ATOM 861 O SER A 54 164.439 -6.434 -1.435 1.00 0.00 O ATOM 862 CB SER A 54 165.081 -3.549 -2.887 1.00 0.00 C ATOM 863 OG SER A 54 163.755 -3.782 -3.330 1.00 0.00 O ATOM 0 H SER A 54 167.035 -2.975 -1.484 1.00 0.00 H new ATOM 0 HA SER A 54 164.504 -3.976 -0.862 1.00 0.00 H new ATOM 0 HB2 SER A 54 165.259 -2.476 -2.813 1.00 0.00 H new ATOM 0 HB3 SER A 54 165.786 -3.939 -3.621 1.00 0.00 H new ATOM 0 HG SER A 54 163.620 -3.349 -4.199 1.00 0.00 H new ATOM 869 N LYS A 55 166.590 -6.229 -2.085 1.00 0.00 N ATOM 870 CA LYS A 55 166.788 -7.669 -2.252 1.00 0.00 C ATOM 871 C LYS A 55 166.553 -8.387 -0.924 1.00 0.00 C ATOM 872 O LYS A 55 165.802 -9.358 -0.857 1.00 0.00 O ATOM 873 CB LYS A 55 168.200 -7.966 -2.772 1.00 0.00 C ATOM 874 CG LYS A 55 168.283 -8.091 -4.287 1.00 0.00 C ATOM 875 CD LYS A 55 169.648 -7.663 -4.806 1.00 0.00 C ATOM 876 CE LYS A 55 169.932 -8.243 -6.184 1.00 0.00 C ATOM 877 NZ LYS A 55 171.395 -8.354 -6.454 1.00 0.00 N ATOM 0 H LYS A 55 167.411 -5.662 -2.297 1.00 0.00 H new ATOM 0 HA LYS A 55 166.069 -8.034 -2.985 1.00 0.00 H new ATOM 0 HB2 LYS A 55 168.872 -7.173 -2.445 1.00 0.00 H new ATOM 0 HB3 LYS A 55 168.556 -8.892 -2.320 1.00 0.00 H new ATOM 0 HG2 LYS A 55 168.088 -9.123 -4.580 1.00 0.00 H new ATOM 0 HG3 LYS A 55 167.508 -7.477 -4.747 1.00 0.00 H new ATOM 0 HD2 LYS A 55 169.695 -6.575 -4.852 1.00 0.00 H new ATOM 0 HD3 LYS A 55 170.421 -7.986 -4.108 1.00 0.00 H new ATOM 0 HE2 LYS A 55 169.473 -9.228 -6.264 1.00 0.00 H new ATOM 0 HE3 LYS A 55 169.470 -7.613 -6.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 171.632 -7.812 -7.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 171.927 -7.975 -5.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 171.647 -9.353 -6.597 1.00 0.00 H new ATOM 891 N LEU A 56 167.187 -7.883 0.136 1.00 0.00 N ATOM 892 CA LEU A 56 167.035 -8.455 1.473 1.00 0.00 C ATOM 893 C LEU A 56 165.605 -8.245 1.988 1.00 0.00 C ATOM 894 O LEU A 56 165.070 -9.086 2.714 1.00 0.00 O ATOM 895 CB LEU A 56 168.055 -7.818 2.431 1.00 0.00 C ATOM 896 CG LEU A 56 167.897 -8.178 3.913 1.00 0.00 C ATOM 897 CD1 LEU A 56 168.661 -9.454 4.239 1.00 0.00 C ATOM 898 CD2 LEU A 56 168.378 -7.031 4.793 1.00 0.00 C ATOM 0 H LEU A 56 167.812 -7.078 0.093 1.00 0.00 H new ATOM 0 HA LEU A 56 167.222 -9.528 1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 56 169.056 -8.109 2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 56 167.991 -6.734 2.331 1.00 0.00 H new ATOM 0 HG LEU A 56 166.840 -8.350 4.114 1.00 0.00 H new ATOM 0 HD11 LEU A 56 168.537 -9.693 5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 56 168.275 -10.274 3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 56 169.719 -9.310 4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 56 168.259 -7.303 5.842 1.00 0.00 H new ATOM 0 HD22 LEU A 56 169.429 -6.831 4.587 1.00 0.00 H new ATOM 0 HD23 LEU A 56 167.790 -6.138 4.580 1.00 0.00 H new ATOM 910 N GLU A 57 164.992 -7.120 1.601 1.00 0.00 N ATOM 911 CA GLU A 57 163.625 -6.792 2.013 1.00 0.00 C ATOM 912 C GLU A 57 162.622 -7.814 1.480 1.00 0.00 C ATOM 913 O GLU A 57 161.698 -8.215 2.190 1.00 0.00 O ATOM 914 CB GLU A 57 163.235 -5.394 1.524 1.00 0.00 C ATOM 915 CG GLU A 57 163.910 -4.271 2.293 1.00 0.00 C ATOM 916 CD GLU A 57 162.921 -3.280 2.876 1.00 0.00 C ATOM 917 OE1 GLU A 57 162.069 -3.697 3.689 1.00 0.00 O ATOM 918 OE2 GLU A 57 163.001 -2.085 2.521 1.00 0.00 O ATOM 0 H GLU A 57 165.425 -6.419 1.000 1.00 0.00 H new ATOM 0 HA GLU A 57 163.600 -6.815 3.102 1.00 0.00 H new ATOM 0 HB2 GLU A 57 163.489 -5.304 0.468 1.00 0.00 H new ATOM 0 HB3 GLU A 57 162.154 -5.279 1.603 1.00 0.00 H new ATOM 0 HG2 GLU A 57 164.508 -4.697 3.099 1.00 0.00 H new ATOM 0 HG3 GLU A 57 164.597 -3.745 1.630 1.00 0.00 H new ATOM 925 N ALA A 58 162.806 -8.230 0.226 1.00 0.00 N ATOM 926 CA ALA A 58 161.911 -9.202 -0.400 1.00 0.00 C ATOM 927 C ALA A 58 162.396 -10.645 -0.204 1.00 0.00 C ATOM 928 O ALA A 58 161.929 -11.557 -0.889 1.00 0.00 O ATOM 929 CB ALA A 58 161.752 -8.892 -1.884 1.00 0.00 C ATOM 0 H ALA A 58 163.566 -7.909 -0.374 1.00 0.00 H new ATOM 0 HA ALA A 58 160.942 -9.117 0.091 1.00 0.00 H new ATOM 0 HB1 ALA A 58 161.083 -9.623 -2.339 1.00 0.00 H new ATOM 0 HB2 ALA A 58 161.333 -7.893 -2.004 1.00 0.00 H new ATOM 0 HB3 ALA A 58 162.726 -8.938 -2.372 1.00 0.00 H new ATOM 935 N ARG A 59 163.333 -10.851 0.730 1.00 0.00 N ATOM 936 CA ARG A 59 163.876 -12.183 1.009 1.00 0.00 C ATOM 937 C ARG A 59 164.552 -12.788 -0.228 1.00 0.00 C ATOM 938 O ARG A 59 164.637 -14.011 -0.361 1.00 0.00 O ATOM 939 CB ARG A 59 162.773 -13.118 1.526 1.00 0.00 C ATOM 940 CG ARG A 59 163.021 -13.626 2.940 1.00 0.00 C ATOM 941 CD ARG A 59 161.894 -14.529 3.422 1.00 0.00 C ATOM 942 NE ARG A 59 161.808 -14.574 4.882 1.00 0.00 N ATOM 943 CZ ARG A 59 161.350 -13.571 5.636 1.00 0.00 C ATOM 944 NH1 ARG A 59 160.966 -12.425 5.076 1.00 0.00 N ATOM 945 NH2 ARG A 59 161.281 -13.710 6.956 1.00 0.00 N ATOM 0 H ARG A 59 163.731 -10.109 1.306 1.00 0.00 H new ATOM 0 HA ARG A 59 164.636 -12.073 1.783 1.00 0.00 H new ATOM 0 HB2 ARG A 59 161.819 -12.591 1.500 1.00 0.00 H new ATOM 0 HB3 ARG A 59 162.685 -13.970 0.852 1.00 0.00 H new ATOM 0 HG2 ARG A 59 163.963 -14.173 2.970 1.00 0.00 H new ATOM 0 HG3 ARG A 59 163.123 -12.779 3.618 1.00 0.00 H new ATOM 0 HD2 ARG A 59 160.947 -14.174 3.015 1.00 0.00 H new ATOM 0 HD3 ARG A 59 162.049 -15.537 3.038 1.00 0.00 H new ATOM 0 HE ARG A 59 162.117 -15.424 5.353 1.00 0.00 H new ATOM 0 HH11 ARG A 59 161.020 -12.308 4.064 1.00 0.00 H new ATOM 0 HH12 ARG A 59 160.617 -11.664 5.659 1.00 0.00 H new ATOM 0 HH21 ARG A 59 161.578 -14.582 7.393 1.00 0.00 H new ATOM 0 HH22 ARG A 59 160.931 -12.944 7.532 1.00 0.00 H new ATOM 959 N GLU A 60 165.053 -11.927 -1.119 1.00 0.00 N ATOM 960 CA GLU A 60 165.739 -12.382 -2.327 1.00 0.00 C ATOM 961 C GLU A 60 167.149 -12.866 -1.992 1.00 0.00 C ATOM 962 O GLU A 60 167.658 -13.800 -2.614 1.00 0.00 O ATOM 963 CB GLU A 60 165.811 -11.262 -3.370 1.00 0.00 C ATOM 964 CG GLU A 60 164.499 -11.007 -4.096 1.00 0.00 C ATOM 965 CD GLU A 60 164.702 -10.615 -5.549 1.00 0.00 C ATOM 966 OE1 GLU A 60 165.417 -9.622 -5.805 1.00 0.00 O ATOM 967 OE2 GLU A 60 164.145 -11.302 -6.432 1.00 0.00 O ATOM 0 H GLU A 60 164.995 -10.913 -1.025 1.00 0.00 H new ATOM 0 HA GLU A 60 165.167 -13.211 -2.744 1.00 0.00 H new ATOM 0 HB2 GLU A 60 166.127 -10.342 -2.879 1.00 0.00 H new ATOM 0 HB3 GLU A 60 166.578 -11.511 -4.104 1.00 0.00 H new ATOM 0 HG2 GLU A 60 163.881 -11.904 -4.048 1.00 0.00 H new ATOM 0 HG3 GLU A 60 163.952 -10.216 -3.583 1.00 0.00 H new ATOM 974 N TYR A 61 167.771 -12.226 -1.000 1.00 0.00 N ATOM 975 CA TYR A 61 169.118 -12.592 -0.574 1.00 0.00 C ATOM 976 C TYR A 61 169.112 -13.940 0.138 1.00 0.00 C ATOM 977 O TYR A 61 168.598 -14.064 1.251 1.00 0.00 O ATOM 978 CB TYR A 61 169.700 -11.515 0.347 1.00 0.00 C ATOM 979 CG TYR A 61 170.450 -10.425 -0.391 1.00 0.00 C ATOM 980 CD1 TYR A 61 171.449 -10.740 -1.307 1.00 0.00 C ATOM 981 CD2 TYR A 61 170.161 -9.083 -0.173 1.00 0.00 C ATOM 982 CE1 TYR A 61 172.135 -9.750 -1.982 1.00 0.00 C ATOM 983 CE2 TYR A 61 170.845 -8.091 -0.845 1.00 0.00 C ATOM 984 CZ TYR A 61 171.828 -8.428 -1.747 1.00 0.00 C ATOM 985 OH TYR A 61 172.508 -7.436 -2.416 1.00 0.00 O ATOM 0 H TYR A 61 167.361 -11.452 -0.478 1.00 0.00 H new ATOM 0 HA TYR A 61 169.744 -12.672 -1.463 1.00 0.00 H new ATOM 0 HB2 TYR A 61 168.890 -11.063 0.920 1.00 0.00 H new ATOM 0 HB3 TYR A 61 170.373 -11.986 1.063 1.00 0.00 H new ATOM 0 HD1 TYR A 61 171.692 -11.776 -1.493 1.00 0.00 H new ATOM 0 HD2 TYR A 61 169.390 -8.813 0.533 1.00 0.00 H new ATOM 0 HE1 TYR A 61 172.908 -10.011 -2.690 1.00 0.00 H new ATOM 0 HE2 TYR A 61 170.610 -7.053 -0.664 1.00 0.00 H new ATOM 0 HH TYR A 61 172.934 -7.813 -3.214 1.00 0.00 H new ATOM 995 N ARG A 62 169.689 -14.948 -0.514 1.00 0.00 N ATOM 996 CA ARG A 62 169.757 -16.292 0.053 1.00 0.00 C ATOM 997 C ARG A 62 170.914 -16.415 1.048 1.00 0.00 C ATOM 998 O ARG A 62 170.867 -17.246 1.958 1.00 0.00 O ATOM 999 CB ARG A 62 169.905 -17.332 -1.061 1.00 0.00 C ATOM 1000 CG ARG A 62 168.647 -17.500 -1.905 1.00 0.00 C ATOM 1001 CD ARG A 62 168.976 -17.853 -3.348 1.00 0.00 C ATOM 1002 NE ARG A 62 168.921 -16.685 -4.229 1.00 0.00 N ATOM 1003 CZ ARG A 62 168.864 -16.755 -5.563 1.00 0.00 C ATOM 1004 NH1 ARG A 62 168.853 -17.935 -6.180 1.00 0.00 N ATOM 1005 NH2 ARG A 62 168.818 -15.639 -6.284 1.00 0.00 N ATOM 0 H ARG A 62 170.116 -14.858 -1.436 1.00 0.00 H new ATOM 0 HA ARG A 62 168.827 -16.478 0.591 1.00 0.00 H new ATOM 0 HB2 ARG A 62 170.732 -17.043 -1.709 1.00 0.00 H new ATOM 0 HB3 ARG A 62 170.167 -18.293 -0.618 1.00 0.00 H new ATOM 0 HG2 ARG A 62 168.022 -18.282 -1.473 1.00 0.00 H new ATOM 0 HG3 ARG A 62 168.067 -16.578 -1.880 1.00 0.00 H new ATOM 0 HD2 ARG A 62 169.972 -18.294 -3.394 1.00 0.00 H new ATOM 0 HD3 ARG A 62 168.275 -18.608 -3.704 1.00 0.00 H new ATOM 0 HE ARG A 62 168.927 -15.760 -3.798 1.00 0.00 H new ATOM 0 HH11 ARG A 62 168.888 -18.796 -5.634 1.00 0.00 H new ATOM 0 HH12 ARG A 62 168.809 -17.978 -7.198 1.00 0.00 H new ATOM 0 HH21 ARG A 62 168.826 -14.731 -5.819 1.00 0.00 H new ATOM 0 HH22 ARG A 62 168.775 -15.691 -7.302 1.00 0.00 H new ATOM 1019 N ASP A 63 171.948 -15.584 0.877 1.00 0.00 N ATOM 1020 CA ASP A 63 173.104 -15.612 1.773 1.00 0.00 C ATOM 1021 C ASP A 63 173.712 -14.222 1.950 1.00 0.00 C ATOM 1022 O ASP A 63 173.536 -13.342 1.102 1.00 0.00 O ATOM 1023 CB ASP A 63 174.170 -16.578 1.243 1.00 0.00 C ATOM 1024 CG ASP A 63 173.981 -17.994 1.753 1.00 0.00 C ATOM 1025 OD1 ASP A 63 173.835 -18.170 2.982 1.00 0.00 O ATOM 1026 OD2 ASP A 63 173.984 -18.928 0.924 1.00 0.00 O ATOM 0 H ASP A 63 172.006 -14.890 0.132 1.00 0.00 H new ATOM 0 HA ASP A 63 172.754 -15.957 2.746 1.00 0.00 H new ATOM 0 HB2 ASP A 63 174.142 -16.582 0.153 1.00 0.00 H new ATOM 0 HB3 ASP A 63 175.157 -16.219 1.535 1.00 0.00 H new ATOM 1031 N ALA A 64 174.443 -14.039 3.055 1.00 0.00 N ATOM 1032 CA ALA A 64 175.099 -12.764 3.349 1.00 0.00 C ATOM 1033 C ALA A 64 176.232 -12.482 2.361 1.00 0.00 C ATOM 1034 O ALA A 64 176.608 -11.326 2.157 1.00 0.00 O ATOM 1035 CB ALA A 64 175.635 -12.753 4.775 1.00 0.00 C ATOM 0 H ALA A 64 174.594 -14.760 3.760 1.00 0.00 H new ATOM 0 HA ALA A 64 174.352 -11.977 3.246 1.00 0.00 H new ATOM 0 HB1 ALA A 64 176.119 -11.797 4.974 1.00 0.00 H new ATOM 0 HB2 ALA A 64 174.811 -12.895 5.474 1.00 0.00 H new ATOM 0 HB3 ALA A 64 176.359 -13.559 4.898 1.00 0.00 H new ATOM 1041 N GLN A 65 176.769 -13.539 1.743 1.00 0.00 N ATOM 1042 CA GLN A 65 177.851 -13.391 0.772 1.00 0.00 C ATOM 1043 C GLN A 65 177.383 -12.572 -0.429 1.00 0.00 C ATOM 1044 O GLN A 65 178.129 -11.740 -0.948 1.00 0.00 O ATOM 1045 CB GLN A 65 178.353 -14.763 0.307 1.00 0.00 C ATOM 1046 CG GLN A 65 179.657 -15.190 0.962 1.00 0.00 C ATOM 1047 CD GLN A 65 180.863 -14.468 0.389 1.00 0.00 C ATOM 1048 OE1 GLN A 65 181.473 -14.927 -0.575 1.00 0.00 O ATOM 1049 NE2 GLN A 65 181.214 -13.330 0.981 1.00 0.00 N ATOM 0 H GLN A 65 176.471 -14.502 1.899 1.00 0.00 H new ATOM 0 HA GLN A 65 178.673 -12.866 1.258 1.00 0.00 H new ATOM 0 HB2 GLN A 65 177.589 -15.511 0.518 1.00 0.00 H new ATOM 0 HB3 GLN A 65 178.489 -14.743 -0.774 1.00 0.00 H new ATOM 0 HG2 GLN A 65 179.600 -15.000 2.034 1.00 0.00 H new ATOM 0 HG3 GLN A 65 179.788 -16.265 0.835 1.00 0.00 H new ATOM 0 HE21 GLN A 65 180.680 -12.984 1.779 1.00 0.00 H new ATOM 0 HE22 GLN A 65 182.017 -12.803 0.637 1.00 0.00 H new ATOM 1058 N GLU A 66 176.139 -12.800 -0.854 1.00 0.00 N ATOM 1059 CA GLU A 66 175.568 -12.068 -1.982 1.00 0.00 C ATOM 1060 C GLU A 66 175.326 -10.602 -1.610 1.00 0.00 C ATOM 1061 O GLU A 66 175.486 -9.709 -2.445 1.00 0.00 O ATOM 1062 CB GLU A 66 174.257 -12.718 -2.435 1.00 0.00 C ATOM 1063 CG GLU A 66 174.425 -13.667 -3.613 1.00 0.00 C ATOM 1064 CD GLU A 66 173.335 -13.514 -4.659 1.00 0.00 C ATOM 1065 OE1 GLU A 66 173.000 -12.361 -5.008 1.00 0.00 O ATOM 1066 OE2 GLU A 66 172.819 -14.548 -5.132 1.00 0.00 O ATOM 0 H GLU A 66 175.510 -13.485 -0.434 1.00 0.00 H new ATOM 0 HA GLU A 66 176.281 -12.104 -2.805 1.00 0.00 H new ATOM 0 HB2 GLU A 66 173.823 -13.264 -1.597 1.00 0.00 H new ATOM 0 HB3 GLU A 66 173.548 -11.936 -2.707 1.00 0.00 H new ATOM 0 HG2 GLU A 66 175.395 -13.491 -4.079 1.00 0.00 H new ATOM 0 HG3 GLU A 66 174.428 -14.694 -3.247 1.00 0.00 H new ATOM 1073 N PHE A 67 174.945 -10.362 -0.352 1.00 0.00 N ATOM 1074 CA PHE A 67 174.685 -9.006 0.132 1.00 0.00 C ATOM 1075 C PHE A 67 175.974 -8.190 0.180 1.00 0.00 C ATOM 1076 O PHE A 67 176.048 -7.098 -0.387 1.00 0.00 O ATOM 1077 CB PHE A 67 174.043 -9.045 1.525 1.00 0.00 C ATOM 1078 CG PHE A 67 173.392 -7.750 1.935 1.00 0.00 C ATOM 1079 CD1 PHE A 67 174.153 -6.615 2.175 1.00 0.00 C ATOM 1080 CD2 PHE A 67 172.016 -7.670 2.083 1.00 0.00 C ATOM 1081 CE1 PHE A 67 173.554 -5.428 2.552 1.00 0.00 C ATOM 1082 CE2 PHE A 67 171.412 -6.485 2.460 1.00 0.00 C ATOM 1083 CZ PHE A 67 172.182 -5.364 2.695 1.00 0.00 C ATOM 0 H PHE A 67 174.810 -11.091 0.349 1.00 0.00 H new ATOM 0 HA PHE A 67 173.995 -8.529 -0.564 1.00 0.00 H new ATOM 0 HB2 PHE A 67 173.296 -9.839 1.548 1.00 0.00 H new ATOM 0 HB3 PHE A 67 174.806 -9.305 2.259 1.00 0.00 H new ATOM 0 HD1 PHE A 67 175.227 -6.660 2.066 1.00 0.00 H new ATOM 0 HD2 PHE A 67 171.408 -8.544 1.902 1.00 0.00 H new ATOM 0 HE1 PHE A 67 174.158 -4.552 2.735 1.00 0.00 H new ATOM 0 HE2 PHE A 67 170.339 -6.437 2.571 1.00 0.00 H new ATOM 0 HZ PHE A 67 171.712 -4.438 2.990 1.00 0.00 H new ATOM 1093 N GLY A 68 176.986 -8.731 0.862 1.00 0.00 N ATOM 1094 CA GLY A 68 178.265 -8.048 0.979 1.00 0.00 C ATOM 1095 C GLY A 68 178.895 -7.744 -0.368 1.00 0.00 C ATOM 1096 O GLY A 68 179.512 -6.692 -0.543 1.00 0.00 O ATOM 0 H GLY A 68 176.941 -9.633 1.336 1.00 0.00 H new ATOM 0 HA2 GLY A 68 178.126 -7.117 1.528 1.00 0.00 H new ATOM 0 HA3 GLY A 68 178.948 -8.664 1.564 1.00 0.00 H new ATOM 1100 N ALA A 69 178.735 -8.665 -1.322 1.00 0.00 N ATOM 1101 CA ALA A 69 179.290 -8.493 -2.665 1.00 0.00 C ATOM 1102 C ALA A 69 178.746 -7.228 -3.331 1.00 0.00 C ATOM 1103 O ALA A 69 179.476 -6.529 -4.037 1.00 0.00 O ATOM 1104 CB ALA A 69 178.984 -9.714 -3.525 1.00 0.00 C ATOM 0 H ALA A 69 178.225 -9.538 -1.188 1.00 0.00 H new ATOM 0 HA ALA A 69 180.371 -8.387 -2.571 1.00 0.00 H new ATOM 0 HB1 ALA A 69 179.403 -9.572 -4.521 1.00 0.00 H new ATOM 0 HB2 ALA A 69 179.425 -10.600 -3.069 1.00 0.00 H new ATOM 0 HB3 ALA A 69 177.904 -9.844 -3.601 1.00 0.00 H new ATOM 1110 N ASP A 70 177.464 -6.937 -3.101 1.00 0.00 N ATOM 1111 CA ASP A 70 176.830 -5.753 -3.677 1.00 0.00 C ATOM 1112 C ASP A 70 177.236 -4.481 -2.930 1.00 0.00 C ATOM 1113 O ASP A 70 177.357 -3.415 -3.536 1.00 0.00 O ATOM 1114 CB ASP A 70 175.305 -5.901 -3.677 1.00 0.00 C ATOM 1115 CG ASP A 70 174.789 -6.578 -4.934 1.00 0.00 C ATOM 1116 OD1 ASP A 70 175.140 -6.121 -6.042 1.00 0.00 O ATOM 1117 OD2 ASP A 70 174.032 -7.563 -4.811 1.00 0.00 O ATOM 0 H ASP A 70 176.847 -7.505 -2.521 1.00 0.00 H new ATOM 0 HA ASP A 70 177.176 -5.665 -4.707 1.00 0.00 H new ATOM 0 HB2 ASP A 70 174.999 -6.479 -2.805 1.00 0.00 H new ATOM 0 HB3 ASP A 70 174.847 -4.916 -3.584 1.00 0.00 H new ATOM 1122 N VAL A 71 177.453 -4.592 -1.617 1.00 0.00 N ATOM 1123 CA VAL A 71 177.853 -3.437 -0.814 1.00 0.00 C ATOM 1124 C VAL A 71 179.230 -2.933 -1.241 1.00 0.00 C ATOM 1125 O VAL A 71 179.420 -1.735 -1.462 1.00 0.00 O ATOM 1126 CB VAL A 71 177.882 -3.755 0.697 1.00 0.00 C ATOM 1127 CG1 VAL A 71 178.146 -2.490 1.500 1.00 0.00 C ATOM 1128 CG2 VAL A 71 176.582 -4.413 1.141 1.00 0.00 C ATOM 0 H VAL A 71 177.359 -5.462 -1.093 1.00 0.00 H new ATOM 0 HA VAL A 71 177.103 -2.665 -0.988 1.00 0.00 H new ATOM 0 HB VAL A 71 178.694 -4.458 0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 71 178.163 -2.731 2.563 1.00 0.00 H new ATOM 0 HG12 VAL A 71 179.107 -2.068 1.208 1.00 0.00 H new ATOM 0 HG13 VAL A 71 177.357 -1.764 1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 71 176.628 -4.627 2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 71 175.747 -3.741 0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 71 176.439 -5.343 0.591 1.00 0.00 H new ATOM 1138 N ARG A 72 180.187 -3.856 -1.364 1.00 0.00 N ATOM 1139 CA ARG A 72 181.545 -3.502 -1.775 1.00 0.00 C ATOM 1140 C ARG A 72 181.555 -2.957 -3.206 1.00 0.00 C ATOM 1141 O ARG A 72 182.333 -2.059 -3.530 1.00 0.00 O ATOM 1142 CB ARG A 72 182.486 -4.711 -1.653 1.00 0.00 C ATOM 1143 CG ARG A 72 182.135 -5.871 -2.574 1.00 0.00 C ATOM 1144 CD ARG A 72 183.056 -5.924 -3.785 1.00 0.00 C ATOM 1145 NE ARG A 72 183.880 -7.133 -3.797 1.00 0.00 N ATOM 1146 CZ ARG A 72 183.442 -8.334 -4.187 1.00 0.00 C ATOM 1147 NH1 ARG A 72 182.185 -8.497 -4.597 1.00 0.00 N ATOM 1148 NH2 ARG A 72 184.265 -9.378 -4.165 1.00 0.00 N ATOM 0 H ARG A 72 180.046 -4.850 -1.185 1.00 0.00 H new ATOM 0 HA ARG A 72 181.905 -2.719 -1.107 1.00 0.00 H new ATOM 0 HB2 ARG A 72 183.505 -4.387 -1.867 1.00 0.00 H new ATOM 0 HB3 ARG A 72 182.474 -5.064 -0.622 1.00 0.00 H new ATOM 0 HG2 ARG A 72 182.205 -6.808 -2.022 1.00 0.00 H new ATOM 0 HG3 ARG A 72 181.102 -5.773 -2.906 1.00 0.00 H new ATOM 0 HD2 ARG A 72 182.459 -5.884 -4.696 1.00 0.00 H new ATOM 0 HD3 ARG A 72 183.702 -5.046 -3.788 1.00 0.00 H new ATOM 0 HE ARG A 72 184.849 -7.054 -3.489 1.00 0.00 H new ATOM 0 HH11 ARG A 72 181.547 -7.701 -4.615 1.00 0.00 H new ATOM 0 HH12 ARG A 72 181.860 -9.418 -4.893 1.00 0.00 H new ATOM 0 HH21 ARG A 72 185.228 -9.261 -3.851 1.00 0.00 H new ATOM 0 HH22 ARG A 72 183.933 -10.296 -4.462 1.00 0.00 H new ATOM 1162 N LEU A 73 180.674 -3.496 -4.053 1.00 0.00 N ATOM 1163 CA LEU A 73 180.572 -3.054 -5.442 1.00 0.00 C ATOM 1164 C LEU A 73 179.998 -1.637 -5.513 1.00 0.00 C ATOM 1165 O LEU A 73 180.505 -0.791 -6.249 1.00 0.00 O ATOM 1166 CB LEU A 73 179.699 -4.023 -6.246 1.00 0.00 C ATOM 1167 CG LEU A 73 179.548 -3.692 -7.734 1.00 0.00 C ATOM 1168 CD1 LEU A 73 179.494 -4.968 -8.562 1.00 0.00 C ATOM 1169 CD2 LEU A 73 178.305 -2.844 -7.969 1.00 0.00 C ATOM 0 H LEU A 73 180.022 -4.239 -3.799 1.00 0.00 H new ATOM 0 HA LEU A 73 181.572 -3.044 -5.876 1.00 0.00 H new ATOM 0 HB2 LEU A 73 180.119 -5.025 -6.155 1.00 0.00 H new ATOM 0 HB3 LEU A 73 178.707 -4.051 -5.795 1.00 0.00 H new ATOM 0 HG LEU A 73 180.418 -3.117 -8.050 1.00 0.00 H new ATOM 0 HD11 LEU A 73 179.387 -4.713 -9.616 1.00 0.00 H new ATOM 0 HD12 LEU A 73 180.414 -5.535 -8.417 1.00 0.00 H new ATOM 0 HD13 LEU A 73 178.643 -5.571 -8.246 1.00 0.00 H new ATOM 0 HD21 LEU A 73 178.214 -2.619 -9.032 1.00 0.00 H new ATOM 0 HD22 LEU A 73 177.423 -3.392 -7.637 1.00 0.00 H new ATOM 0 HD23 LEU A 73 178.387 -1.914 -7.407 1.00 0.00 H new ATOM 1181 N MET A 74 178.944 -1.386 -4.734 1.00 0.00 N ATOM 1182 CA MET A 74 178.305 -0.070 -4.697 1.00 0.00 C ATOM 1183 C MET A 74 179.300 1.003 -4.265 1.00 0.00 C ATOM 1184 O MET A 74 179.377 2.070 -4.875 1.00 0.00 O ATOM 1185 CB MET A 74 177.107 -0.079 -3.741 1.00 0.00 C ATOM 1186 CG MET A 74 176.373 1.252 -3.669 1.00 0.00 C ATOM 1187 SD MET A 74 177.017 2.334 -2.377 1.00 0.00 S ATOM 1188 CE MET A 74 175.577 2.514 -1.326 1.00 0.00 C ATOM 0 H MET A 74 178.515 -2.078 -4.120 1.00 0.00 H new ATOM 0 HA MET A 74 177.954 0.160 -5.703 1.00 0.00 H new ATOM 0 HB2 MET A 74 176.407 -0.853 -4.056 1.00 0.00 H new ATOM 0 HB3 MET A 74 177.452 -0.348 -2.743 1.00 0.00 H new ATOM 0 HG2 MET A 74 176.450 1.757 -4.632 1.00 0.00 H new ATOM 0 HG3 MET A 74 175.314 1.069 -3.489 1.00 0.00 H new ATOM 0 HE1 MET A 74 175.821 3.158 -0.481 1.00 0.00 H new ATOM 0 HE2 MET A 74 174.762 2.958 -1.898 1.00 0.00 H new ATOM 0 HE3 MET A 74 175.270 1.535 -0.958 1.00 0.00 H new ATOM 1198 N PHE A 75 180.058 0.716 -3.206 1.00 0.00 N ATOM 1199 CA PHE A 75 181.044 1.662 -2.696 1.00 0.00 C ATOM 1200 C PHE A 75 182.142 1.930 -3.721 1.00 0.00 C ATOM 1201 O PHE A 75 182.637 3.053 -3.819 1.00 0.00 O ATOM 1202 CB PHE A 75 181.659 1.153 -1.391 1.00 0.00 C ATOM 1203 CG PHE A 75 181.149 1.886 -0.186 1.00 0.00 C ATOM 1204 CD1 PHE A 75 181.740 3.072 0.219 1.00 0.00 C ATOM 1205 CD2 PHE A 75 180.071 1.398 0.533 1.00 0.00 C ATOM 1206 CE1 PHE A 75 181.265 3.757 1.318 1.00 0.00 C ATOM 1207 CE2 PHE A 75 179.593 2.078 1.636 1.00 0.00 C ATOM 1208 CZ PHE A 75 180.190 3.260 2.028 1.00 0.00 C ATOM 0 H PHE A 75 180.007 -0.161 -2.688 1.00 0.00 H new ATOM 0 HA PHE A 75 180.525 2.600 -2.500 1.00 0.00 H new ATOM 0 HB2 PHE A 75 181.443 0.090 -1.283 1.00 0.00 H new ATOM 0 HB3 PHE A 75 182.743 1.255 -1.441 1.00 0.00 H new ATOM 0 HD1 PHE A 75 182.582 3.464 -0.332 1.00 0.00 H new ATOM 0 HD2 PHE A 75 179.599 0.476 0.228 1.00 0.00 H new ATOM 0 HE1 PHE A 75 181.733 4.681 1.623 1.00 0.00 H new ATOM 0 HE2 PHE A 75 178.754 1.686 2.191 1.00 0.00 H new ATOM 0 HZ PHE A 75 179.817 3.795 2.889 1.00 0.00 H new ATOM 1218 N SER A 76 182.524 0.901 -4.484 1.00 0.00 N ATOM 1219 CA SER A 76 183.569 1.054 -5.496 1.00 0.00 C ATOM 1220 C SER A 76 183.162 2.082 -6.556 1.00 0.00 C ATOM 1221 O SER A 76 183.958 2.950 -6.913 1.00 0.00 O ATOM 1222 CB SER A 76 183.909 -0.295 -6.148 1.00 0.00 C ATOM 1223 OG SER A 76 182.982 -0.633 -7.167 1.00 0.00 O ATOM 0 H SER A 76 182.129 -0.037 -4.420 1.00 0.00 H new ATOM 0 HA SER A 76 184.465 1.422 -4.995 1.00 0.00 H new ATOM 0 HB2 SER A 76 184.913 -0.253 -6.569 1.00 0.00 H new ATOM 0 HB3 SER A 76 183.915 -1.076 -5.387 1.00 0.00 H new ATOM 0 HG SER A 76 182.126 -0.885 -6.761 1.00 0.00 H new ATOM 1229 N ASN A 77 181.919 1.992 -7.049 1.00 0.00 N ATOM 1230 CA ASN A 77 181.436 2.943 -8.057 1.00 0.00 C ATOM 1231 C ASN A 77 181.104 4.293 -7.418 1.00 0.00 C ATOM 1232 O ASN A 77 181.359 5.343 -8.008 1.00 0.00 O ATOM 1233 CB ASN A 77 180.221 2.396 -8.825 1.00 0.00 C ATOM 1234 CG ASN A 77 179.059 1.989 -7.935 1.00 0.00 C ATOM 1235 OD1 ASN A 77 178.870 0.808 -7.653 1.00 0.00 O ATOM 1236 ND2 ASN A 77 178.265 2.964 -7.500 1.00 0.00 N ATOM 0 H ASN A 77 181.240 1.283 -6.772 1.00 0.00 H new ATOM 0 HA ASN A 77 182.242 3.087 -8.776 1.00 0.00 H new ATOM 0 HB2 ASN A 77 179.878 3.154 -9.529 1.00 0.00 H new ATOM 0 HB3 ASN A 77 180.534 1.533 -9.413 1.00 0.00 H new ATOM 0 HD21 ASN A 77 177.464 2.744 -6.909 1.00 0.00 H new ATOM 0 HD22 ASN A 77 178.458 3.932 -7.758 1.00 0.00 H new ATOM 1243 N CYS A 78 180.537 4.258 -6.209 1.00 0.00 N ATOM 1244 CA CYS A 78 180.176 5.486 -5.492 1.00 0.00 C ATOM 1245 C CYS A 78 181.407 6.350 -5.211 1.00 0.00 C ATOM 1246 O CYS A 78 181.356 7.572 -5.347 1.00 0.00 O ATOM 1247 CB CYS A 78 179.459 5.165 -4.176 1.00 0.00 C ATOM 1248 SG CYS A 78 178.246 6.410 -3.678 1.00 0.00 S ATOM 0 H CYS A 78 180.318 3.397 -5.707 1.00 0.00 H new ATOM 0 HA CYS A 78 179.498 6.046 -6.136 1.00 0.00 H new ATOM 0 HB2 CYS A 78 178.958 4.202 -4.273 1.00 0.00 H new ATOM 0 HB3 CYS A 78 180.202 5.060 -3.385 1.00 0.00 H new ATOM 0 HG CYS A 78 177.606 5.996 -2.625 1.00 0.00 H new ATOM 1254 N TYR A 79 182.509 5.708 -4.822 1.00 0.00 N ATOM 1255 CA TYR A 79 183.754 6.422 -4.524 1.00 0.00 C ATOM 1256 C TYR A 79 184.277 7.165 -5.756 1.00 0.00 C ATOM 1257 O TYR A 79 184.932 8.200 -5.630 1.00 0.00 O ATOM 1258 CB TYR A 79 184.822 5.450 -4.011 1.00 0.00 C ATOM 1259 CG TYR A 79 185.737 6.042 -2.958 1.00 0.00 C ATOM 1260 CD1 TYR A 79 185.263 6.347 -1.687 1.00 0.00 C ATOM 1261 CD2 TYR A 79 187.078 6.289 -3.233 1.00 0.00 C ATOM 1262 CE1 TYR A 79 186.097 6.882 -0.722 1.00 0.00 C ATOM 1263 CE2 TYR A 79 187.918 6.822 -2.273 1.00 0.00 C ATOM 1264 CZ TYR A 79 187.423 7.117 -1.020 1.00 0.00 C ATOM 1265 OH TYR A 79 188.258 7.646 -0.060 1.00 0.00 O ATOM 0 H TYR A 79 182.566 4.696 -4.706 1.00 0.00 H new ATOM 0 HA TYR A 79 183.536 7.155 -3.748 1.00 0.00 H new ATOM 0 HB2 TYR A 79 184.330 4.570 -3.597 1.00 0.00 H new ATOM 0 HB3 TYR A 79 185.425 5.111 -4.853 1.00 0.00 H new ATOM 0 HD1 TYR A 79 184.226 6.163 -1.449 1.00 0.00 H new ATOM 0 HD2 TYR A 79 187.470 6.060 -4.213 1.00 0.00 H new ATOM 0 HE1 TYR A 79 185.712 7.115 0.260 1.00 0.00 H new ATOM 0 HE2 TYR A 79 188.957 7.006 -2.503 1.00 0.00 H new ATOM 0 HH TYR A 79 189.159 7.749 -0.431 1.00 0.00 H new ATOM 1275 N LYS A 80 183.976 6.638 -6.944 1.00 0.00 N ATOM 1276 CA LYS A 80 184.409 7.260 -8.194 1.00 0.00 C ATOM 1277 C LYS A 80 183.608 8.533 -8.470 1.00 0.00 C ATOM 1278 O LYS A 80 184.147 9.513 -8.986 1.00 0.00 O ATOM 1279 CB LYS A 80 184.259 6.277 -9.361 1.00 0.00 C ATOM 1280 CG LYS A 80 184.758 6.822 -10.691 1.00 0.00 C ATOM 1281 CD LYS A 80 184.765 5.746 -11.768 1.00 0.00 C ATOM 1282 CE LYS A 80 184.735 6.346 -13.169 1.00 0.00 C ATOM 1283 NZ LYS A 80 185.875 7.278 -13.411 1.00 0.00 N ATOM 0 H LYS A 80 183.434 5.782 -7.066 1.00 0.00 H new ATOM 0 HA LYS A 80 185.461 7.528 -8.095 1.00 0.00 H new ATOM 0 HB2 LYS A 80 184.804 5.363 -9.126 1.00 0.00 H new ATOM 0 HB3 LYS A 80 183.208 6.005 -9.462 1.00 0.00 H new ATOM 0 HG2 LYS A 80 184.124 7.650 -11.007 1.00 0.00 H new ATOM 0 HG3 LYS A 80 185.765 7.221 -10.567 1.00 0.00 H new ATOM 0 HD2 LYS A 80 185.655 5.127 -11.657 1.00 0.00 H new ATOM 0 HD3 LYS A 80 183.903 5.092 -11.634 1.00 0.00 H new ATOM 0 HE2 LYS A 80 184.762 5.543 -13.906 1.00 0.00 H new ATOM 0 HE3 LYS A 80 183.796 6.880 -13.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 185.870 7.581 -14.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 185.780 8.110 -12.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 186.771 6.793 -13.202 1.00 0.00 H new ATOM 1297 N TYR A 81 182.321 8.512 -8.121 1.00 0.00 N ATOM 1298 CA TYR A 81 181.450 9.667 -8.327 1.00 0.00 C ATOM 1299 C TYR A 81 181.668 10.726 -7.243 1.00 0.00 C ATOM 1300 O TYR A 81 181.685 11.922 -7.535 1.00 0.00 O ATOM 1301 CB TYR A 81 179.980 9.235 -8.345 1.00 0.00 C ATOM 1302 CG TYR A 81 179.115 10.046 -9.288 1.00 0.00 C ATOM 1303 CD1 TYR A 81 178.989 11.422 -9.140 1.00 0.00 C ATOM 1304 CD2 TYR A 81 178.421 9.433 -10.324 1.00 0.00 C ATOM 1305 CE1 TYR A 81 178.197 12.163 -9.997 1.00 0.00 C ATOM 1306 CE2 TYR A 81 177.629 10.167 -11.186 1.00 0.00 C ATOM 1307 CZ TYR A 81 177.520 11.531 -11.018 1.00 0.00 C ATOM 1308 OH TYR A 81 176.729 12.265 -11.872 1.00 0.00 O ATOM 0 H TYR A 81 181.860 7.708 -7.695 1.00 0.00 H new ATOM 0 HA TYR A 81 181.705 10.106 -9.292 1.00 0.00 H new ATOM 0 HB2 TYR A 81 179.923 8.184 -8.629 1.00 0.00 H new ATOM 0 HB3 TYR A 81 179.575 9.315 -7.336 1.00 0.00 H new ATOM 0 HD1 TYR A 81 179.519 11.921 -8.342 1.00 0.00 H new ATOM 0 HD2 TYR A 81 178.502 8.364 -10.458 1.00 0.00 H new ATOM 0 HE1 TYR A 81 178.109 13.232 -9.867 1.00 0.00 H new ATOM 0 HE2 TYR A 81 177.098 9.675 -11.987 1.00 0.00 H new ATOM 0 HH TYR A 81 176.323 11.669 -12.536 1.00 0.00 H new ATOM 1318 N ASN A 82 181.832 10.282 -5.992 1.00 0.00 N ATOM 1319 CA ASN A 82 182.043 11.201 -4.870 1.00 0.00 C ATOM 1320 C ASN A 82 183.423 11.858 -4.947 1.00 0.00 C ATOM 1321 O ASN A 82 184.444 11.190 -4.779 1.00 0.00 O ATOM 1322 CB ASN A 82 181.896 10.468 -3.532 1.00 0.00 C ATOM 1323 CG ASN A 82 180.464 10.054 -3.242 1.00 0.00 C ATOM 1324 OD1 ASN A 82 179.518 10.771 -3.571 1.00 0.00 O ATOM 1325 ND2 ASN A 82 180.295 8.893 -2.616 1.00 0.00 N ATOM 0 H ASN A 82 181.823 9.296 -5.732 1.00 0.00 H new ATOM 0 HA ASN A 82 181.282 11.978 -4.936 1.00 0.00 H new ATOM 0 HB2 ASN A 82 182.532 9.582 -3.536 1.00 0.00 H new ATOM 0 HB3 ASN A 82 182.253 11.113 -2.729 1.00 0.00 H new ATOM 0 HD21 ASN A 82 179.355 8.567 -2.391 1.00 0.00 H new ATOM 0 HD22 ASN A 82 181.105 8.329 -2.361 1.00 0.00 H new ATOM 1332 N PRO A 83 183.469 13.184 -5.198 1.00 0.00 N ATOM 1333 CA PRO A 83 184.732 13.933 -5.294 1.00 0.00 C ATOM 1334 C PRO A 83 185.483 13.973 -3.963 1.00 0.00 C ATOM 1335 O PRO A 83 184.881 13.817 -2.902 1.00 0.00 O ATOM 1336 CB PRO A 83 184.291 15.350 -5.698 1.00 0.00 C ATOM 1337 CG PRO A 83 182.887 15.205 -6.179 1.00 0.00 C ATOM 1338 CD PRO A 83 182.304 14.059 -5.407 1.00 0.00 C ATOM 0 HA PRO A 83 185.420 13.472 -6.002 1.00 0.00 H new ATOM 0 HB2 PRO A 83 184.348 16.035 -4.852 1.00 0.00 H new ATOM 0 HB3 PRO A 83 184.934 15.754 -6.480 1.00 0.00 H new ATOM 0 HG2 PRO A 83 182.319 16.120 -6.008 1.00 0.00 H new ATOM 0 HG3 PRO A 83 182.860 15.008 -7.251 1.00 0.00 H new ATOM 0 HD2 PRO A 83 181.869 14.386 -4.463 1.00 0.00 H new ATOM 0 HD3 PRO A 83 181.514 13.555 -5.964 1.00 0.00 H new ATOM 1346 N PRO A 84 186.813 14.187 -3.999 1.00 0.00 N ATOM 1347 CA PRO A 84 187.633 14.248 -2.784 1.00 0.00 C ATOM 1348 C PRO A 84 187.341 15.493 -1.947 1.00 0.00 C ATOM 1349 O PRO A 84 186.973 16.540 -2.485 1.00 0.00 O ATOM 1350 CB PRO A 84 189.067 14.286 -3.318 1.00 0.00 C ATOM 1351 CG PRO A 84 188.947 14.855 -4.689 1.00 0.00 C ATOM 1352 CD PRO A 84 187.618 14.390 -5.220 1.00 0.00 C ATOM 0 HA PRO A 84 187.436 13.406 -2.120 1.00 0.00 H new ATOM 0 HB2 PRO A 84 189.708 14.903 -2.688 1.00 0.00 H new ATOM 0 HB3 PRO A 84 189.507 13.289 -3.340 1.00 0.00 H new ATOM 0 HG2 PRO A 84 188.998 15.944 -4.665 1.00 0.00 H new ATOM 0 HG3 PRO A 84 189.762 14.512 -5.326 1.00 0.00 H new ATOM 0 HD2 PRO A 84 187.167 15.132 -5.880 1.00 0.00 H new ATOM 0 HD3 PRO A 84 187.715 13.469 -5.795 1.00 0.00 H new ATOM 1360 N ASP A 85 187.505 15.366 -0.628 1.00 0.00 N ATOM 1361 CA ASP A 85 187.259 16.473 0.300 1.00 0.00 C ATOM 1362 C ASP A 85 185.801 16.943 0.233 1.00 0.00 C ATOM 1363 O ASP A 85 185.524 18.144 0.221 1.00 0.00 O ATOM 1364 CB ASP A 85 188.209 17.644 0.001 1.00 0.00 C ATOM 1365 CG ASP A 85 188.872 18.202 1.251 1.00 0.00 C ATOM 1366 OD1 ASP A 85 188.250 18.153 2.335 1.00 0.00 O ATOM 1367 OD2 ASP A 85 190.015 18.692 1.143 1.00 0.00 O ATOM 0 H ASP A 85 187.809 14.503 -0.177 1.00 0.00 H new ATOM 0 HA ASP A 85 187.450 16.110 1.310 1.00 0.00 H new ATOM 0 HB2 ASP A 85 188.979 17.312 -0.695 1.00 0.00 H new ATOM 0 HB3 ASP A 85 187.652 18.439 -0.495 1.00 0.00 H new ATOM 1372 N HIS A 86 184.871 15.987 0.188 1.00 0.00 N ATOM 1373 CA HIS A 86 183.445 16.299 0.118 1.00 0.00 C ATOM 1374 C HIS A 86 182.712 15.792 1.359 1.00 0.00 C ATOM 1375 O HIS A 86 183.076 14.760 1.925 1.00 0.00 O ATOM 1376 CB HIS A 86 182.840 15.672 -1.141 1.00 0.00 C ATOM 1377 CG HIS A 86 181.829 16.537 -1.828 1.00 0.00 C ATOM 1378 ND1 HIS A 86 180.614 16.872 -1.268 1.00 0.00 N ATOM 1379 CD2 HIS A 86 181.852 17.125 -3.048 1.00 0.00 C ATOM 1380 CE1 HIS A 86 179.933 17.624 -2.113 1.00 0.00 C ATOM 1381 NE2 HIS A 86 180.663 17.793 -3.200 1.00 0.00 N ATOM 0 H HIS A 86 185.082 14.989 0.199 1.00 0.00 H new ATOM 0 HA HIS A 86 183.331 17.382 0.075 1.00 0.00 H new ATOM 0 HB2 HIS A 86 183.643 15.443 -1.842 1.00 0.00 H new ATOM 0 HB3 HIS A 86 182.371 14.725 -0.873 1.00 0.00 H new ATOM 0 HD2 HIS A 86 182.656 17.077 -3.767 1.00 0.00 H new ATOM 0 HE1 HIS A 86 178.947 18.031 -1.944 1.00 0.00 H new ATOM 0 HE2 HIS A 86 180.388 18.333 -4.020 1.00 0.00 H new ATOM 1390 N GLU A 87 181.674 16.523 1.775 1.00 0.00 N ATOM 1391 CA GLU A 87 180.883 16.146 2.949 1.00 0.00 C ATOM 1392 C GLU A 87 180.316 14.734 2.805 1.00 0.00 C ATOM 1393 O GLU A 87 180.350 13.945 3.751 1.00 0.00 O ATOM 1394 CB GLU A 87 179.738 17.140 3.165 1.00 0.00 C ATOM 1395 CG GLU A 87 180.127 18.352 3.998 1.00 0.00 C ATOM 1396 CD GLU A 87 179.348 19.598 3.619 1.00 0.00 C ATOM 1397 OE1 GLU A 87 178.102 19.574 3.717 1.00 0.00 O ATOM 1398 OE2 GLU A 87 179.983 20.598 3.225 1.00 0.00 O ATOM 0 H GLU A 87 181.362 17.379 1.316 1.00 0.00 H new ATOM 0 HA GLU A 87 181.546 16.166 3.814 1.00 0.00 H new ATOM 0 HB2 GLU A 87 179.375 17.479 2.195 1.00 0.00 H new ATOM 0 HB3 GLU A 87 178.910 16.626 3.653 1.00 0.00 H new ATOM 0 HG2 GLU A 87 179.961 18.131 5.052 1.00 0.00 H new ATOM 0 HG3 GLU A 87 181.193 18.544 3.877 1.00 0.00 H new ATOM 1405 N VAL A 88 179.797 14.420 1.615 1.00 0.00 N ATOM 1406 CA VAL A 88 179.225 13.100 1.352 1.00 0.00 C ATOM 1407 C VAL A 88 180.277 11.999 1.492 1.00 0.00 C ATOM 1408 O VAL A 88 179.966 10.887 1.921 1.00 0.00 O ATOM 1409 CB VAL A 88 178.585 13.013 -0.052 1.00 0.00 C ATOM 1410 CG1 VAL A 88 177.328 13.870 -0.120 1.00 0.00 C ATOM 1411 CG2 VAL A 88 179.578 13.415 -1.138 1.00 0.00 C ATOM 0 H VAL A 88 179.762 15.060 0.822 1.00 0.00 H new ATOM 0 HA VAL A 88 178.445 12.952 2.099 1.00 0.00 H new ATOM 0 HB VAL A 88 178.303 11.975 -0.231 1.00 0.00 H new ATOM 0 HG11 VAL A 88 176.891 13.796 -1.116 1.00 0.00 H new ATOM 0 HG12 VAL A 88 176.608 13.519 0.619 1.00 0.00 H new ATOM 0 HG13 VAL A 88 177.584 14.909 0.088 1.00 0.00 H new ATOM 0 HG21 VAL A 88 179.098 13.344 -2.114 1.00 0.00 H new ATOM 0 HG22 VAL A 88 179.906 14.441 -0.969 1.00 0.00 H new ATOM 0 HG23 VAL A 88 180.440 12.748 -1.108 1.00 0.00 H new ATOM 1421 N VAL A 89 181.524 12.317 1.137 1.00 0.00 N ATOM 1422 CA VAL A 89 182.619 11.355 1.233 1.00 0.00 C ATOM 1423 C VAL A 89 182.830 10.918 2.680 1.00 0.00 C ATOM 1424 O VAL A 89 183.025 9.734 2.956 1.00 0.00 O ATOM 1425 CB VAL A 89 183.939 11.932 0.678 1.00 0.00 C ATOM 1426 CG1 VAL A 89 185.023 10.865 0.648 1.00 0.00 C ATOM 1427 CG2 VAL A 89 183.727 12.520 -0.710 1.00 0.00 C ATOM 0 H VAL A 89 181.798 13.233 0.781 1.00 0.00 H new ATOM 0 HA VAL A 89 182.337 10.493 0.629 1.00 0.00 H new ATOM 0 HB VAL A 89 184.266 12.732 1.342 1.00 0.00 H new ATOM 0 HG11 VAL A 89 185.944 11.293 0.253 1.00 0.00 H new ATOM 0 HG12 VAL A 89 185.198 10.496 1.658 1.00 0.00 H new ATOM 0 HG13 VAL A 89 184.704 10.040 0.010 1.00 0.00 H new ATOM 0 HG21 VAL A 89 184.669 12.921 -1.083 1.00 0.00 H new ATOM 0 HG22 VAL A 89 183.372 11.741 -1.385 1.00 0.00 H new ATOM 0 HG23 VAL A 89 182.988 13.319 -0.658 1.00 0.00 H new ATOM 1437 N ALA A 90 182.773 11.882 3.604 1.00 0.00 N ATOM 1438 CA ALA A 90 182.941 11.592 5.027 1.00 0.00 C ATOM 1439 C ALA A 90 181.887 10.596 5.505 1.00 0.00 C ATOM 1440 O ALA A 90 182.182 9.702 6.298 1.00 0.00 O ATOM 1441 CB ALA A 90 182.867 12.872 5.845 1.00 0.00 C ATOM 0 H ALA A 90 182.612 12.866 3.391 1.00 0.00 H new ATOM 0 HA ALA A 90 183.925 11.145 5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 90 182.994 12.636 6.902 1.00 0.00 H new ATOM 0 HB2 ALA A 90 183.657 13.553 5.527 1.00 0.00 H new ATOM 0 HB3 ALA A 90 181.897 13.345 5.693 1.00 0.00 H new ATOM 1447 N MET A 91 180.658 10.754 5.008 1.00 0.00 N ATOM 1448 CA MET A 91 179.560 9.863 5.374 1.00 0.00 C ATOM 1449 C MET A 91 179.769 8.468 4.783 1.00 0.00 C ATOM 1450 O MET A 91 179.451 7.464 5.423 1.00 0.00 O ATOM 1451 CB MET A 91 178.219 10.437 4.899 1.00 0.00 C ATOM 1452 CG MET A 91 177.614 11.456 5.853 1.00 0.00 C ATOM 1453 SD MET A 91 177.003 12.926 5.006 1.00 0.00 S ATOM 1454 CE MET A 91 175.245 12.588 4.971 1.00 0.00 C ATOM 0 H MET A 91 180.401 11.491 4.351 1.00 0.00 H new ATOM 0 HA MET A 91 179.544 9.780 6.461 1.00 0.00 H new ATOM 0 HB2 MET A 91 178.359 10.904 3.924 1.00 0.00 H new ATOM 0 HB3 MET A 91 177.513 9.618 4.761 1.00 0.00 H new ATOM 0 HG2 MET A 91 176.795 10.992 6.402 1.00 0.00 H new ATOM 0 HG3 MET A 91 178.364 11.750 6.587 1.00 0.00 H new ATOM 0 HE1 MET A 91 174.726 13.409 4.476 1.00 0.00 H new ATOM 0 HE2 MET A 91 175.063 11.663 4.425 1.00 0.00 H new ATOM 0 HE3 MET A 91 174.874 12.486 5.991 1.00 0.00 H new ATOM 1464 N ALA A 92 180.306 8.412 3.561 1.00 0.00 N ATOM 1465 CA ALA A 92 180.556 7.138 2.889 1.00 0.00 C ATOM 1466 C ALA A 92 181.652 6.342 3.594 1.00 0.00 C ATOM 1467 O ALA A 92 181.465 5.167 3.908 1.00 0.00 O ATOM 1468 CB ALA A 92 180.925 7.370 1.430 1.00 0.00 C ATOM 0 H ALA A 92 180.575 9.233 3.019 1.00 0.00 H new ATOM 0 HA ALA A 92 179.637 6.553 2.932 1.00 0.00 H new ATOM 0 HB1 ALA A 92 181.108 6.412 0.944 1.00 0.00 H new ATOM 0 HB2 ALA A 92 180.106 7.883 0.925 1.00 0.00 H new ATOM 0 HB3 ALA A 92 181.825 7.982 1.375 1.00 0.00 H new ATOM 1474 N ARG A 93 182.793 6.985 3.849 1.00 0.00 N ATOM 1475 CA ARG A 93 183.906 6.317 4.524 1.00 0.00 C ATOM 1476 C ARG A 93 183.503 5.888 5.934 1.00 0.00 C ATOM 1477 O ARG A 93 183.870 4.803 6.387 1.00 0.00 O ATOM 1478 CB ARG A 93 185.149 7.217 4.569 1.00 0.00 C ATOM 1479 CG ARG A 93 184.928 8.554 5.261 1.00 0.00 C ATOM 1480 CD ARG A 93 185.875 9.619 4.729 1.00 0.00 C ATOM 1481 NE ARG A 93 186.225 10.602 5.753 1.00 0.00 N ATOM 1482 CZ ARG A 93 186.865 11.748 5.504 1.00 0.00 C ATOM 1483 NH1 ARG A 93 187.231 12.066 4.264 1.00 0.00 N ATOM 1484 NH2 ARG A 93 187.141 12.580 6.502 1.00 0.00 N ATOM 0 H ARG A 93 182.970 7.958 3.601 1.00 0.00 H new ATOM 0 HA ARG A 93 184.157 5.425 3.950 1.00 0.00 H new ATOM 0 HB2 ARG A 93 185.951 6.684 5.080 1.00 0.00 H new ATOM 0 HB3 ARG A 93 185.488 7.400 3.549 1.00 0.00 H new ATOM 0 HG2 ARG A 93 183.897 8.876 5.113 1.00 0.00 H new ATOM 0 HG3 ARG A 93 185.075 8.438 6.335 1.00 0.00 H new ATOM 0 HD2 ARG A 93 186.783 9.144 4.357 1.00 0.00 H new ATOM 0 HD3 ARG A 93 185.411 10.126 3.883 1.00 0.00 H new ATOM 0 HE ARG A 93 185.964 10.400 6.718 1.00 0.00 H new ATOM 0 HH11 ARG A 93 187.023 11.432 3.492 1.00 0.00 H new ATOM 0 HH12 ARG A 93 187.719 12.944 4.086 1.00 0.00 H new ATOM 0 HH21 ARG A 93 186.864 12.343 7.455 1.00 0.00 H new ATOM 0 HH22 ARG A 93 187.630 13.456 6.316 1.00 0.00 H new ATOM 1498 N LYS A 94 182.729 6.736 6.616 1.00 0.00 N ATOM 1499 CA LYS A 94 182.262 6.432 7.966 1.00 0.00 C ATOM 1500 C LYS A 94 181.336 5.214 7.958 1.00 0.00 C ATOM 1501 O LYS A 94 181.429 4.351 8.832 1.00 0.00 O ATOM 1502 CB LYS A 94 181.539 7.642 8.563 1.00 0.00 C ATOM 1503 CG LYS A 94 181.510 7.652 10.082 1.00 0.00 C ATOM 1504 CD LYS A 94 181.534 9.071 10.628 1.00 0.00 C ATOM 1505 CE LYS A 94 182.344 9.165 11.914 1.00 0.00 C ATOM 1506 NZ LYS A 94 183.743 9.619 11.667 1.00 0.00 N ATOM 0 H LYS A 94 182.414 7.636 6.254 1.00 0.00 H new ATOM 0 HA LYS A 94 183.130 6.200 8.584 1.00 0.00 H new ATOM 0 HB2 LYS A 94 182.024 8.553 8.212 1.00 0.00 H new ATOM 0 HB3 LYS A 94 180.515 7.662 8.189 1.00 0.00 H new ATOM 0 HG2 LYS A 94 180.614 7.140 10.434 1.00 0.00 H new ATOM 0 HG3 LYS A 94 182.366 7.098 10.467 1.00 0.00 H new ATOM 0 HD2 LYS A 94 181.958 9.742 9.881 1.00 0.00 H new ATOM 0 HD3 LYS A 94 180.514 9.407 10.815 1.00 0.00 H new ATOM 0 HE2 LYS A 94 181.855 9.857 12.600 1.00 0.00 H new ATOM 0 HE3 LYS A 94 182.361 8.191 12.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 184.257 9.668 12.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 184.220 8.946 11.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 183.730 10.560 11.225 1.00 0.00 H new ATOM 1520 N LEU A 95 180.448 5.148 6.960 1.00 0.00 N ATOM 1521 CA LEU A 95 179.513 4.028 6.832 1.00 0.00 C ATOM 1522 C LEU A 95 180.251 2.738 6.473 1.00 0.00 C ATOM 1523 O LEU A 95 179.902 1.660 6.957 1.00 0.00 O ATOM 1524 CB LEU A 95 178.446 4.329 5.771 1.00 0.00 C ATOM 1525 CG LEU A 95 177.025 3.882 6.133 1.00 0.00 C ATOM 1526 CD1 LEU A 95 175.993 4.686 5.355 1.00 0.00 C ATOM 1527 CD2 LEU A 95 176.847 2.391 5.873 1.00 0.00 C ATOM 0 H LEU A 95 180.358 5.856 6.231 1.00 0.00 H new ATOM 0 HA LEU A 95 179.023 3.893 7.797 1.00 0.00 H new ATOM 0 HB2 LEU A 95 178.436 5.403 5.583 1.00 0.00 H new ATOM 0 HB3 LEU A 95 178.736 3.845 4.839 1.00 0.00 H new ATOM 0 HG LEU A 95 176.872 4.066 7.196 1.00 0.00 H new ATOM 0 HD11 LEU A 95 174.992 4.353 5.627 1.00 0.00 H new ATOM 0 HD12 LEU A 95 176.101 5.744 5.594 1.00 0.00 H new ATOM 0 HD13 LEU A 95 176.147 4.538 4.286 1.00 0.00 H new ATOM 0 HD21 LEU A 95 175.832 2.094 6.136 1.00 0.00 H new ATOM 0 HD22 LEU A 95 177.024 2.182 4.818 1.00 0.00 H new ATOM 0 HD23 LEU A 95 177.558 1.829 6.478 1.00 0.00 H new ATOM 1539 N GLN A 96 181.273 2.854 5.623 1.00 0.00 N ATOM 1540 CA GLN A 96 182.061 1.696 5.204 1.00 0.00 C ATOM 1541 C GLN A 96 182.882 1.143 6.368 1.00 0.00 C ATOM 1542 O GLN A 96 182.984 -0.072 6.538 1.00 0.00 O ATOM 1543 CB GLN A 96 182.989 2.070 4.044 1.00 0.00 C ATOM 1544 CG GLN A 96 183.662 0.874 3.387 1.00 0.00 C ATOM 1545 CD GLN A 96 185.154 1.077 3.191 1.00 0.00 C ATOM 1546 OE1 GLN A 96 185.578 1.824 2.310 1.00 0.00 O ATOM 1547 NE2 GLN A 96 185.960 0.411 4.012 1.00 0.00 N ATOM 0 H GLN A 96 181.573 3.738 5.212 1.00 0.00 H new ATOM 0 HA GLN A 96 181.369 0.923 4.870 1.00 0.00 H new ATOM 0 HB2 GLN A 96 182.415 2.611 3.292 1.00 0.00 H new ATOM 0 HB3 GLN A 96 183.757 2.752 4.410 1.00 0.00 H new ATOM 0 HG2 GLN A 96 183.497 -0.012 4.000 1.00 0.00 H new ATOM 0 HG3 GLN A 96 183.195 0.685 2.420 1.00 0.00 H new ATOM 0 HE21 GLN A 96 185.567 -0.198 4.729 1.00 0.00 H new ATOM 0 HE22 GLN A 96 186.971 0.509 3.925 1.00 0.00 H new ATOM 1556 N ASP A 97 183.469 2.041 7.163 1.00 0.00 N ATOM 1557 CA ASP A 97 184.285 1.639 8.309 1.00 0.00 C ATOM 1558 C ASP A 97 183.466 0.836 9.318 1.00 0.00 C ATOM 1559 O ASP A 97 183.908 -0.215 9.785 1.00 0.00 O ATOM 1560 CB ASP A 97 184.897 2.870 8.989 1.00 0.00 C ATOM 1561 CG ASP A 97 186.124 2.532 9.817 1.00 0.00 C ATOM 1562 OD1 ASP A 97 187.019 1.833 9.298 1.00 0.00 O ATOM 1563 OD2 ASP A 97 186.189 2.969 10.985 1.00 0.00 O ATOM 0 H ASP A 97 183.394 3.050 7.034 1.00 0.00 H new ATOM 0 HA ASP A 97 185.088 1.002 7.939 1.00 0.00 H new ATOM 0 HB2 ASP A 97 185.167 3.603 8.229 1.00 0.00 H new ATOM 0 HB3 ASP A 97 184.148 3.336 9.630 1.00 0.00 H new ATOM 1568 N VAL A 98 182.271 1.330 9.647 1.00 0.00 N ATOM 1569 CA VAL A 98 181.396 0.644 10.596 1.00 0.00 C ATOM 1570 C VAL A 98 180.901 -0.686 10.019 1.00 0.00 C ATOM 1571 O VAL A 98 180.873 -1.699 10.719 1.00 0.00 O ATOM 1572 CB VAL A 98 180.193 1.523 11.026 1.00 0.00 C ATOM 1573 CG1 VAL A 98 179.332 1.918 9.834 1.00 0.00 C ATOM 1574 CG2 VAL A 98 179.359 0.810 12.082 1.00 0.00 C ATOM 0 H VAL A 98 181.889 2.198 9.272 1.00 0.00 H new ATOM 0 HA VAL A 98 181.991 0.444 11.487 1.00 0.00 H new ATOM 0 HB VAL A 98 180.592 2.440 11.460 1.00 0.00 H new ATOM 0 HG11 VAL A 98 178.499 2.533 10.175 1.00 0.00 H new ATOM 0 HG12 VAL A 98 179.933 2.483 9.122 1.00 0.00 H new ATOM 0 HG13 VAL A 98 178.946 1.021 9.351 1.00 0.00 H new ATOM 0 HG21 VAL A 98 178.520 1.443 12.371 1.00 0.00 H new ATOM 0 HG22 VAL A 98 178.983 -0.129 11.676 1.00 0.00 H new ATOM 0 HG23 VAL A 98 179.977 0.605 12.956 1.00 0.00 H new ATOM 1584 N PHE A 99 180.517 -0.678 8.738 1.00 0.00 N ATOM 1585 CA PHE A 99 180.033 -1.889 8.074 1.00 0.00 C ATOM 1586 C PHE A 99 181.135 -2.946 7.993 1.00 0.00 C ATOM 1587 O PHE A 99 180.922 -4.095 8.371 1.00 0.00 O ATOM 1588 CB PHE A 99 179.512 -1.566 6.668 1.00 0.00 C ATOM 1589 CG PHE A 99 178.084 -1.984 6.442 1.00 0.00 C ATOM 1590 CD1 PHE A 99 177.079 -1.558 7.296 1.00 0.00 C ATOM 1591 CD2 PHE A 99 177.747 -2.805 5.376 1.00 0.00 C ATOM 1592 CE1 PHE A 99 175.767 -1.942 7.093 1.00 0.00 C ATOM 1593 CE2 PHE A 99 176.436 -3.192 5.168 1.00 0.00 C ATOM 1594 CZ PHE A 99 175.445 -2.760 6.028 1.00 0.00 C ATOM 0 H PHE A 99 180.532 0.151 8.144 1.00 0.00 H new ATOM 0 HA PHE A 99 179.212 -2.289 8.669 1.00 0.00 H new ATOM 0 HB2 PHE A 99 179.599 -0.493 6.495 1.00 0.00 H new ATOM 0 HB3 PHE A 99 180.147 -2.060 5.932 1.00 0.00 H new ATOM 0 HD1 PHE A 99 177.324 -0.918 8.131 1.00 0.00 H new ATOM 0 HD2 PHE A 99 178.518 -3.146 4.701 1.00 0.00 H new ATOM 0 HE1 PHE A 99 174.994 -1.603 7.767 1.00 0.00 H new ATOM 0 HE2 PHE A 99 176.187 -3.831 4.334 1.00 0.00 H new ATOM 0 HZ PHE A 99 174.420 -3.061 5.868 1.00 0.00 H new ATOM 1604 N GLU A 100 182.313 -2.550 7.500 1.00 0.00 N ATOM 1605 CA GLU A 100 183.443 -3.473 7.378 1.00 0.00 C ATOM 1606 C GLU A 100 183.816 -4.060 8.738 1.00 0.00 C ATOM 1607 O GLU A 100 184.001 -5.271 8.869 1.00 0.00 O ATOM 1608 CB GLU A 100 184.655 -2.765 6.758 1.00 0.00 C ATOM 1609 CG GLU A 100 185.409 -3.620 5.751 1.00 0.00 C ATOM 1610 CD GLU A 100 186.488 -4.472 6.392 1.00 0.00 C ATOM 1611 OE1 GLU A 100 186.171 -5.592 6.843 1.00 0.00 O ATOM 1612 OE2 GLU A 100 187.650 -4.018 6.441 1.00 0.00 O ATOM 0 H GLU A 100 182.507 -1.601 7.181 1.00 0.00 H new ATOM 0 HA GLU A 100 183.141 -4.289 6.721 1.00 0.00 H new ATOM 0 HB2 GLU A 100 184.320 -1.851 6.268 1.00 0.00 H new ATOM 0 HB3 GLU A 100 185.338 -2.468 7.554 1.00 0.00 H new ATOM 0 HG2 GLU A 100 184.703 -4.267 5.231 1.00 0.00 H new ATOM 0 HG3 GLU A 100 185.862 -2.973 5.000 1.00 0.00 H new ATOM 1619 N MET A 101 183.918 -3.195 9.749 1.00 0.00 N ATOM 1620 CA MET A 101 184.263 -3.629 11.101 1.00 0.00 C ATOM 1621 C MET A 101 183.231 -4.622 11.636 1.00 0.00 C ATOM 1622 O MET A 101 183.591 -5.658 12.196 1.00 0.00 O ATOM 1623 CB MET A 101 184.368 -2.421 12.038 1.00 0.00 C ATOM 1624 CG MET A 101 185.791 -1.917 12.220 1.00 0.00 C ATOM 1625 SD MET A 101 186.472 -2.321 13.841 1.00 0.00 S ATOM 1626 CE MET A 101 185.610 -1.141 14.877 1.00 0.00 C ATOM 0 H MET A 101 183.766 -2.191 9.656 1.00 0.00 H new ATOM 0 HA MET A 101 185.230 -4.129 11.059 1.00 0.00 H new ATOM 0 HB2 MET A 101 183.752 -1.612 11.646 1.00 0.00 H new ATOM 0 HB3 MET A 101 183.959 -2.690 13.012 1.00 0.00 H new ATOM 0 HG2 MET A 101 186.426 -2.348 11.446 1.00 0.00 H new ATOM 0 HG3 MET A 101 185.809 -0.836 12.082 1.00 0.00 H new ATOM 0 HE1 MET A 101 185.926 -1.267 15.913 1.00 0.00 H new ATOM 0 HE2 MET A 101 185.843 -0.129 14.547 1.00 0.00 H new ATOM 0 HE3 MET A 101 184.535 -1.308 14.803 1.00 0.00 H new ATOM 1636 N ARG A 102 181.949 -4.302 11.454 1.00 0.00 N ATOM 1637 CA ARG A 102 180.866 -5.171 11.914 1.00 0.00 C ATOM 1638 C ARG A 102 180.829 -6.471 11.110 1.00 0.00 C ATOM 1639 O ARG A 102 180.673 -7.551 11.679 1.00 0.00 O ATOM 1640 CB ARG A 102 179.517 -4.451 11.813 1.00 0.00 C ATOM 1641 CG ARG A 102 178.612 -4.681 13.014 1.00 0.00 C ATOM 1642 CD ARG A 102 178.887 -3.674 14.122 1.00 0.00 C ATOM 1643 NE ARG A 102 179.076 -4.320 15.422 1.00 0.00 N ATOM 1644 CZ ARG A 102 179.659 -3.733 16.472 1.00 0.00 C ATOM 1645 NH1 ARG A 102 180.111 -2.483 16.386 1.00 0.00 N ATOM 1646 NH2 ARG A 102 179.787 -4.397 17.616 1.00 0.00 N ATOM 0 H ARG A 102 181.636 -3.448 10.992 1.00 0.00 H new ATOM 0 HA ARG A 102 181.055 -5.417 12.959 1.00 0.00 H new ATOM 0 HB2 ARG A 102 179.693 -3.381 11.701 1.00 0.00 H new ATOM 0 HB3 ARG A 102 179.003 -4.785 10.912 1.00 0.00 H new ATOM 0 HG2 ARG A 102 177.569 -4.607 12.705 1.00 0.00 H new ATOM 0 HG3 ARG A 102 178.761 -5.692 13.394 1.00 0.00 H new ATOM 0 HD2 ARG A 102 179.777 -3.096 13.873 1.00 0.00 H new ATOM 0 HD3 ARG A 102 178.057 -2.970 14.185 1.00 0.00 H new ATOM 0 HE ARG A 102 178.742 -5.277 15.534 1.00 0.00 H new ATOM 0 HH11 ARG A 102 180.014 -1.964 15.513 1.00 0.00 H new ATOM 0 HH12 ARG A 102 180.554 -2.044 17.193 1.00 0.00 H new ATOM 0 HH21 ARG A 102 179.441 -5.353 17.692 1.00 0.00 H new ATOM 0 HH22 ARG A 102 180.232 -3.950 18.418 1.00 0.00 H new ATOM 1660 N PHE A 103 180.974 -6.359 9.787 1.00 0.00 N ATOM 1661 CA PHE A 103 180.959 -7.525 8.904 1.00 0.00 C ATOM 1662 C PHE A 103 182.071 -8.506 9.274 1.00 0.00 C ATOM 1663 O PHE A 103 181.816 -9.691 9.478 1.00 0.00 O ATOM 1664 CB PHE A 103 181.111 -7.095 7.439 1.00 0.00 C ATOM 1665 CG PHE A 103 179.843 -7.214 6.637 1.00 0.00 C ATOM 1666 CD1 PHE A 103 178.717 -6.482 6.979 1.00 0.00 C ATOM 1667 CD2 PHE A 103 179.779 -8.061 5.540 1.00 0.00 C ATOM 1668 CE1 PHE A 103 177.552 -6.591 6.243 1.00 0.00 C ATOM 1669 CE2 PHE A 103 178.615 -8.174 4.801 1.00 0.00 C ATOM 1670 CZ PHE A 103 177.501 -7.439 5.153 1.00 0.00 C ATOM 0 H PHE A 103 181.103 -5.470 9.304 1.00 0.00 H new ATOM 0 HA PHE A 103 179.998 -8.025 9.029 1.00 0.00 H new ATOM 0 HB2 PHE A 103 181.454 -6.061 7.407 1.00 0.00 H new ATOM 0 HB3 PHE A 103 181.885 -7.703 6.970 1.00 0.00 H new ATOM 0 HD1 PHE A 103 178.750 -5.819 7.831 1.00 0.00 H new ATOM 0 HD2 PHE A 103 180.648 -8.639 5.260 1.00 0.00 H new ATOM 0 HE1 PHE A 103 176.682 -6.014 6.520 1.00 0.00 H new ATOM 0 HE2 PHE A 103 178.578 -8.837 3.949 1.00 0.00 H new ATOM 0 HZ PHE A 103 176.591 -7.526 4.578 1.00 0.00 H new ATOM 1680 N ALA A 104 183.305 -8.001 9.361 1.00 0.00 N ATOM 1681 CA ALA A 104 184.457 -8.834 9.709 1.00 0.00 C ATOM 1682 C ALA A 104 184.276 -9.488 11.078 1.00 0.00 C ATOM 1683 O ALA A 104 184.622 -10.653 11.261 1.00 0.00 O ATOM 1684 CB ALA A 104 185.740 -8.012 9.678 1.00 0.00 C ATOM 0 H ALA A 104 183.531 -7.020 9.195 1.00 0.00 H new ATOM 0 HA ALA A 104 184.531 -9.627 8.965 1.00 0.00 H new ATOM 0 HB1 ALA A 104 186.586 -8.648 9.939 1.00 0.00 H new ATOM 0 HB2 ALA A 104 185.887 -7.605 8.678 1.00 0.00 H new ATOM 0 HB3 ALA A 104 185.666 -7.194 10.395 1.00 0.00 H new ATOM 1690 N LYS A 105 183.727 -8.734 12.033 1.00 0.00 N ATOM 1691 CA LYS A 105 183.494 -9.252 13.382 1.00 0.00 C ATOM 1692 C LYS A 105 182.385 -10.305 13.375 1.00 0.00 C ATOM 1693 O LYS A 105 182.496 -11.339 14.035 1.00 0.00 O ATOM 1694 CB LYS A 105 183.130 -8.110 14.339 1.00 0.00 C ATOM 1695 CG LYS A 105 183.994 -8.061 15.590 1.00 0.00 C ATOM 1696 CD LYS A 105 183.440 -8.955 16.691 1.00 0.00 C ATOM 1697 CE LYS A 105 183.725 -8.387 18.076 1.00 0.00 C ATOM 1698 NZ LYS A 105 183.246 -6.981 18.220 1.00 0.00 N ATOM 0 H LYS A 105 183.436 -7.766 11.897 1.00 0.00 H new ATOM 0 HA LYS A 105 184.415 -9.722 13.728 1.00 0.00 H new ATOM 0 HB2 LYS A 105 183.219 -7.162 13.809 1.00 0.00 H new ATOM 0 HB3 LYS A 105 182.086 -8.214 14.633 1.00 0.00 H new ATOM 0 HG2 LYS A 105 185.009 -8.373 15.344 1.00 0.00 H new ATOM 0 HG3 LYS A 105 184.055 -7.034 15.951 1.00 0.00 H new ATOM 0 HD2 LYS A 105 182.364 -9.070 16.559 1.00 0.00 H new ATOM 0 HD3 LYS A 105 183.879 -9.949 16.608 1.00 0.00 H new ATOM 0 HE2 LYS A 105 183.244 -9.012 18.829 1.00 0.00 H new ATOM 0 HE3 LYS A 105 184.797 -8.425 18.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 182.722 -6.883 19.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 184.061 -6.335 18.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 182.620 -6.744 17.424 1.00 0.00 H new ATOM 1712 N MET A 106 181.315 -10.033 12.625 1.00 0.00 N ATOM 1713 CA MET A 106 180.186 -10.956 12.527 1.00 0.00 C ATOM 1714 C MET A 106 180.578 -12.220 11.764 1.00 0.00 C ATOM 1715 O MET A 106 180.248 -13.331 12.177 1.00 0.00 O ATOM 1716 CB MET A 106 178.997 -10.280 11.835 1.00 0.00 C ATOM 1717 CG MET A 106 177.724 -10.286 12.667 1.00 0.00 C ATOM 1718 SD MET A 106 176.270 -10.778 11.719 1.00 0.00 S ATOM 1719 CE MET A 106 176.718 -12.447 11.249 1.00 0.00 C ATOM 0 H MET A 106 181.208 -9.180 12.077 1.00 0.00 H new ATOM 0 HA MET A 106 179.896 -11.237 13.539 1.00 0.00 H new ATOM 0 HB2 MET A 106 179.262 -9.249 11.600 1.00 0.00 H new ATOM 0 HB3 MET A 106 178.804 -10.784 10.888 1.00 0.00 H new ATOM 0 HG2 MET A 106 177.850 -10.966 13.510 1.00 0.00 H new ATOM 0 HG3 MET A 106 177.562 -9.291 13.082 1.00 0.00 H new ATOM 0 HE1 MET A 106 176.915 -12.483 10.178 1.00 0.00 H new ATOM 0 HE2 MET A 106 177.613 -12.750 11.793 1.00 0.00 H new ATOM 0 HE3 MET A 106 175.899 -13.125 11.490 1.00 0.00 H new ATOM 1729 N LEU A 107 181.282 -12.039 10.647 1.00 0.00 N ATOM 1730 CA LEU A 107 181.721 -13.162 9.822 1.00 0.00 C ATOM 1731 C LEU A 107 182.849 -13.935 10.505 1.00 0.00 C ATOM 1732 O LEU A 107 182.859 -15.166 10.495 1.00 0.00 O ATOM 1733 CB LEU A 107 182.178 -12.665 8.448 1.00 0.00 C ATOM 1734 CG LEU A 107 181.119 -12.747 7.344 1.00 0.00 C ATOM 1735 CD1 LEU A 107 180.358 -11.432 7.229 1.00 0.00 C ATOM 1736 CD2 LEU A 107 181.764 -13.116 6.014 1.00 0.00 C ATOM 0 H LEU A 107 181.560 -11.124 10.293 1.00 0.00 H new ATOM 0 HA LEU A 107 180.875 -13.837 9.691 1.00 0.00 H new ATOM 0 HB2 LEU A 107 182.503 -11.629 8.543 1.00 0.00 H new ATOM 0 HB3 LEU A 107 183.048 -13.245 8.140 1.00 0.00 H new ATOM 0 HG LEU A 107 180.406 -13.528 7.608 1.00 0.00 H new ATOM 0 HD11 LEU A 107 179.611 -11.512 6.439 1.00 0.00 H new ATOM 0 HD12 LEU A 107 179.864 -11.214 8.176 1.00 0.00 H new ATOM 0 HD13 LEU A 107 181.054 -10.628 6.990 1.00 0.00 H new ATOM 0 HD21 LEU A 107 180.998 -13.170 5.241 1.00 0.00 H new ATOM 0 HD22 LEU A 107 182.500 -12.358 5.744 1.00 0.00 H new ATOM 0 HD23 LEU A 107 182.257 -14.084 6.105 1.00 0.00 H new ATOM 1748 N GLN A 108 183.792 -13.204 11.101 1.00 0.00 N ATOM 1749 CA GLN A 108 184.922 -13.819 11.796 1.00 0.00 C ATOM 1750 C GLN A 108 184.877 -13.498 13.291 1.00 0.00 C ATOM 1751 O GLN A 108 185.252 -12.366 13.671 1.00 0.00 O ATOM 1752 CB GLN A 108 186.248 -13.340 11.193 1.00 0.00 C ATOM 1753 CG GLN A 108 186.611 -14.030 9.888 1.00 0.00 C ATOM 1754 CD GLN A 108 186.087 -13.292 8.670 1.00 0.00 C ATOM 1755 OE1 GLN A 108 186.219 -12.073 8.565 1.00 0.00 O ATOM 1756 NE2 GLN A 108 185.489 -14.027 7.738 1.00 0.00 N ATOM 0 H GLN A 108 183.795 -12.184 11.116 1.00 0.00 H new ATOM 0 HA GLN A 108 184.850 -14.899 11.671 1.00 0.00 H new ATOM 0 HB2 GLN A 108 186.192 -12.265 11.022 1.00 0.00 H new ATOM 0 HB3 GLN A 108 187.047 -13.506 11.916 1.00 0.00 H new ATOM 0 HG2 GLN A 108 187.695 -14.116 9.817 1.00 0.00 H new ATOM 0 HG3 GLN A 108 186.210 -15.044 9.894 1.00 0.00 H new ATOM 0 HE21 GLN A 108 185.400 -15.035 7.863 1.00 0.00 H new ATOM 0 HE22 GLN A 108 185.119 -13.583 6.898 1.00 0.00 H new