USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 870 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: B 2 LYS NZ :NH3+ -138:sc= 0.00798 (180deg=0) USER MOD Set 1.2: B 35 ASN : amide:sc= -0.158 X(o=-0.15,f=-0.27) USER MOD Set 2.1: B 31 ASN : amide:sc= -0.0324 K(o=-0.3,f=-1.2) USER MOD Set 2.2: B 42 LYS NZ :NH3+ -166:sc= -0.266 (180deg=-0.362) USER MOD Set 3.1: B 8 ASN : amide:sc= -2.09! C(o=-3.2!,f=-11!) USER MOD Set 3.2: B 10 ASN : amide:sc= -1.13 K(o=-3.2,f=-10!) USER MOD Set 4.1: A 2 LYS NZ :NH3+ -136:sc= 0.0523 (180deg=0) USER MOD Set 4.2: A 35 ASN : amide:sc= -0.162 X(o=-0.11,f=-0.31) USER MOD Set 5.1: A 31 ASN : amide:sc= 0.07 K(o=0.037,f=-2.4) USER MOD Set 5.2: A 42 LYS NZ :NH3+ 162:sc= -0.0335 (180deg=-0.52) USER MOD Set 6.1: A 8 ASN : amide:sc= -2.07 K(o=-3.2,f=-11!) USER MOD Set 6.2: A 10 ASN : amide:sc= -1.15 K(o=-3.2,f=-9.9!) USER MOD Single : A 1 MET CE :methyl -120:sc= -4.02! (180deg=-8.64!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 167:sc= 0.00132 (180deg=0) USER MOD Single : A 9 HIS :FLIP no HD1:sc= -1.29 F(o=-2.4,f=-1.3) USER MOD Single : A 15 LYS NZ :NH3+ -174:sc= 0.25 (180deg=0.176) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0.00131 X(o=0.0013,f=0) USER MOD Single : A 21 LYS NZ :NH3+ -161:sc= -0.788 (180deg=-1.53) USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= 0.0654 (180deg=-0.0334) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -167:sc= 0.131 (180deg=0.0576) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : B 1 MET CE :methyl -118:sc= -3.9! (180deg=-8.6!) USER MOD Single : B 1 MET N :NH3+ -178:sc= 0 (180deg=-0.00226) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 HIS :FLIP no HD1:sc= -1.29 F(o=-2.4,f=-1.3) USER MOD Single : B 15 LYS NZ :NH3+ -174:sc= 0.282 (180deg=0.222) USER MOD Single : B 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 21 LYS NZ :NH3+ 141:sc= -0.488 (180deg=-1.06) USER MOD Single : B 32 LYS NZ :NH3+ -160:sc= 0.0665 (180deg=-0.034) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0086) USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 45 LYS NZ :NH3+ -167:sc= 0.125 (180deg=0.062) USER MOD Single : B 46 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.228 16.850 8.060 1.00 0.00 N ATOM 2 CA MET A 1 -9.598 15.464 7.646 1.00 0.00 C ATOM 3 C MET A 1 -9.954 15.448 6.154 1.00 0.00 C ATOM 4 O MET A 1 -10.792 16.206 5.700 1.00 0.00 O ATOM 5 CB MET A 1 -10.805 14.986 8.464 1.00 0.00 C ATOM 6 CG MET A 1 -10.331 14.467 9.823 1.00 0.00 C ATOM 7 SD MET A 1 -11.754 14.275 10.926 1.00 0.00 S ATOM 8 CE MET A 1 -12.269 12.636 10.358 1.00 0.00 C ATOM 0 H1 MET A 1 -8.987 16.858 9.072 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.408 17.170 7.507 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.031 17.489 7.890 1.00 0.00 H new ATOM 0 HA MET A 1 -8.753 14.799 7.824 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.511 15.805 8.602 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.332 14.198 7.926 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.820 13.512 9.701 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.611 15.160 10.258 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.286 12.689 9.969 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.596 12.296 9.571 1.00 0.00 H new ATOM 0 HE3 MET A 1 -12.236 11.935 11.192 1.00 0.00 H new ATOM 20 N LYS A 2 -9.318 14.588 5.393 1.00 0.00 N ATOM 21 CA LYS A 2 -9.599 14.502 3.934 1.00 0.00 C ATOM 22 C LYS A 2 -9.488 13.045 3.475 1.00 0.00 C ATOM 23 O LYS A 2 -9.162 12.160 4.244 1.00 0.00 O ATOM 24 CB LYS A 2 -8.580 15.350 3.177 1.00 0.00 C ATOM 25 CG LYS A 2 -9.162 16.739 2.928 1.00 0.00 C ATOM 26 CD LYS A 2 -8.879 17.166 1.486 1.00 0.00 C ATOM 27 CE LYS A 2 -9.715 18.404 1.145 1.00 0.00 C ATOM 28 NZ LYS A 2 -8.814 19.516 0.726 1.00 0.00 N ATOM 0 H LYS A 2 -8.609 13.937 5.730 1.00 0.00 H new ATOM 0 HA LYS A 2 -10.606 14.868 3.734 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -7.657 15.428 3.751 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -8.327 14.874 2.229 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.236 16.732 3.111 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -8.725 17.457 3.622 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -7.818 17.385 1.362 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -9.119 16.353 0.801 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -10.418 18.171 0.345 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -10.305 18.707 2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -9.120 20.400 1.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -7.838 19.299 1.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -8.854 19.625 -0.308 1.00 0.00 H new ATOM 42 N ILE A 3 -9.752 12.798 2.219 1.00 0.00 N ATOM 43 CA ILE A 3 -9.664 11.405 1.682 1.00 0.00 C ATOM 44 C ILE A 3 -8.251 11.168 1.138 1.00 0.00 C ATOM 45 O ILE A 3 -7.886 11.651 0.081 1.00 0.00 O ATOM 46 CB ILE A 3 -10.718 11.202 0.575 1.00 0.00 C ATOM 47 CG1 ILE A 3 -12.069 10.851 1.209 1.00 0.00 C ATOM 48 CG2 ILE A 3 -10.300 10.052 -0.351 1.00 0.00 C ATOM 49 CD1 ILE A 3 -12.576 12.023 2.048 1.00 0.00 C ATOM 0 H ILE A 3 -10.027 13.505 1.537 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.864 10.687 2.477 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.799 12.124 -0.000 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -12.793 10.611 0.431 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -11.967 9.964 1.834 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -11.053 9.919 -1.128 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.340 10.286 -0.811 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -10.210 9.133 0.228 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -13.536 11.763 2.494 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -11.857 12.243 2.837 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -12.697 12.900 1.412 1.00 0.00 H new ATOM 61 N LYS A 4 -7.464 10.418 1.867 1.00 0.00 N ATOM 62 CA LYS A 4 -6.073 10.115 1.430 1.00 0.00 C ATOM 63 C LYS A 4 -6.096 8.912 0.487 1.00 0.00 C ATOM 64 O LYS A 4 -5.387 8.874 -0.502 1.00 0.00 O ATOM 65 CB LYS A 4 -5.219 9.785 2.660 1.00 0.00 C ATOM 66 CG LYS A 4 -3.737 9.782 2.277 1.00 0.00 C ATOM 67 CD LYS A 4 -3.258 8.339 2.094 1.00 0.00 C ATOM 68 CE LYS A 4 -1.942 8.330 1.313 1.00 0.00 C ATOM 69 NZ LYS A 4 -1.389 6.945 1.285 1.00 0.00 N ATOM 0 H LYS A 4 -7.732 9.999 2.757 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.650 10.977 0.914 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.399 10.518 3.446 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -5.502 8.812 3.060 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -3.588 10.345 1.356 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -3.150 10.276 3.051 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -3.119 7.865 3.066 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.012 7.759 1.562 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.108 8.687 0.297 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.227 9.009 1.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.625 6.890 0.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.013 6.702 2.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.143 6.275 1.030 1.00 0.00 H new ATOM 83 N ARG A 5 -6.910 7.928 0.794 1.00 0.00 N ATOM 84 CA ARG A 5 -6.995 6.712 -0.069 1.00 0.00 C ATOM 85 C ARG A 5 -8.302 5.960 0.207 1.00 0.00 C ATOM 86 O ARG A 5 -9.087 6.338 1.056 1.00 0.00 O ATOM 87 CB ARG A 5 -5.808 5.792 0.230 1.00 0.00 C ATOM 88 CG ARG A 5 -4.793 5.875 -0.910 1.00 0.00 C ATOM 89 CD ARG A 5 -3.959 4.591 -0.949 1.00 0.00 C ATOM 90 NE ARG A 5 -4.429 3.720 -2.066 1.00 0.00 N ATOM 91 CZ ARG A 5 -5.537 3.035 -1.945 1.00 0.00 C ATOM 92 NH1 ARG A 5 -5.644 2.121 -1.015 1.00 0.00 N ATOM 93 NH2 ARG A 5 -6.538 3.265 -2.755 1.00 0.00 N ATOM 0 H ARG A 5 -7.521 7.918 1.611 1.00 0.00 H new ATOM 0 HA ARG A 5 -6.972 7.016 -1.115 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.338 6.082 1.170 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -6.152 4.765 0.349 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -5.309 6.015 -1.860 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -4.143 6.739 -0.770 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -2.905 4.834 -1.083 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -4.045 4.061 -0.001 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.885 3.659 -2.926 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -4.863 1.942 -0.384 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -6.508 1.587 -0.921 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -6.454 3.978 -3.480 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -7.402 2.732 -2.662 1.00 0.00 H new ATOM 107 N ILE A 6 -8.528 4.890 -0.515 1.00 0.00 N ATOM 108 CA ILE A 6 -9.770 4.080 -0.326 1.00 0.00 C ATOM 109 C ILE A 6 -9.383 2.625 -0.054 1.00 0.00 C ATOM 110 O ILE A 6 -8.640 2.017 -0.805 1.00 0.00 O ATOM 111 CB ILE A 6 -10.634 4.151 -1.592 1.00 0.00 C ATOM 112 CG1 ILE A 6 -10.919 5.618 -1.943 1.00 0.00 C ATOM 113 CG2 ILE A 6 -11.960 3.420 -1.359 1.00 0.00 C ATOM 114 CD1 ILE A 6 -10.008 6.058 -3.092 1.00 0.00 C ATOM 0 H ILE A 6 -7.897 4.540 -1.236 1.00 0.00 H new ATOM 0 HA ILE A 6 -10.337 4.475 0.517 1.00 0.00 H new ATOM 0 HB ILE A 6 -10.098 3.676 -2.414 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -11.964 5.738 -2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -10.752 6.250 -1.071 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -12.569 3.474 -2.262 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -11.762 2.376 -1.117 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -12.494 3.889 -0.533 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -10.212 7.100 -3.340 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -8.966 5.954 -2.790 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -10.197 5.434 -3.965 1.00 0.00 H new ATOM 126 N LEU A 7 -9.888 2.066 1.017 1.00 0.00 N ATOM 127 CA LEU A 7 -9.570 0.656 1.360 1.00 0.00 C ATOM 128 C LEU A 7 -10.710 -0.238 0.871 1.00 0.00 C ATOM 129 O LEU A 7 -10.494 -1.224 0.192 1.00 0.00 O ATOM 130 CB LEU A 7 -9.414 0.534 2.873 1.00 0.00 C ATOM 131 CG LEU A 7 -8.319 1.493 3.338 1.00 0.00 C ATOM 132 CD1 LEU A 7 -8.612 1.972 4.761 1.00 0.00 C ATOM 133 CD2 LEU A 7 -6.969 0.780 3.312 1.00 0.00 C ATOM 0 H LEU A 7 -10.513 2.536 1.672 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.640 0.347 0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.356 0.769 3.369 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.158 -0.490 3.144 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.293 2.353 2.668 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.826 2.655 5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.572 2.488 4.781 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.647 1.115 5.434 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.189 1.465 3.644 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -7.001 -0.083 3.977 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.752 0.448 2.297 1.00 0.00 H new ATOM 145 N ASN A 8 -11.927 0.130 1.192 1.00 0.00 N ATOM 146 CA ASN A 8 -13.116 -0.654 0.735 1.00 0.00 C ATOM 147 C ASN A 8 -14.403 0.139 1.037 1.00 0.00 C ATOM 148 O ASN A 8 -14.352 1.307 1.376 1.00 0.00 O ATOM 149 CB ASN A 8 -13.139 -2.051 1.393 1.00 0.00 C ATOM 150 CG ASN A 8 -13.642 -1.988 2.837 1.00 0.00 C ATOM 151 OD1 ASN A 8 -14.823 -1.860 3.078 1.00 0.00 O ATOM 152 ND2 ASN A 8 -12.795 -2.108 3.817 1.00 0.00 N ATOM 0 H ASN A 8 -12.149 0.949 1.758 1.00 0.00 H new ATOM 0 HA ASN A 8 -13.052 -0.810 -0.342 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -13.779 -2.716 0.813 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -12.136 -2.478 1.375 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -13.126 -2.094 4.782 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -11.800 -2.216 3.621 1.00 0.00 H new ATOM 159 N HIS A 9 -15.549 -0.483 0.887 1.00 0.00 N ATOM 160 CA HIS A 9 -16.855 0.221 1.127 1.00 0.00 C ATOM 161 C HIS A 9 -16.906 0.879 2.520 1.00 0.00 C ATOM 162 O HIS A 9 -17.566 1.886 2.703 1.00 0.00 O ATOM 163 CB HIS A 9 -17.996 -0.796 1.012 1.00 0.00 C ATOM 164 CG HIS A 9 -19.304 -0.074 0.832 1.00 0.00 C ATOM 165 ND1 HIS A 9 -20.316 0.223 1.711 1.00 0.00 N flip ATOM 166 CD2 HIS A 9 -19.701 0.442 -0.391 1.00 0.00 C flip ATOM 167 CE1 HIS A 9 -21.325 0.912 1.047 1.00 0.00 C flip ATOM 168 NE2 HIS A 9 -20.904 1.017 -0.216 1.00 0.00 N flip ATOM 0 H HIS A 9 -15.638 -1.459 0.605 1.00 0.00 H new ATOM 0 HA HIS A 9 -16.957 1.008 0.380 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -17.818 -1.462 0.168 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -18.033 -1.418 1.906 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -19.146 0.392 -1.316 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -22.250 1.283 1.463 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -21.431 1.478 -0.958 1.00 0.00 H new ATOM 176 N ASN A 10 -16.249 0.309 3.502 1.00 0.00 N ATOM 177 CA ASN A 10 -16.291 0.883 4.879 1.00 0.00 C ATOM 178 C ASN A 10 -14.923 1.419 5.311 1.00 0.00 C ATOM 179 O ASN A 10 -14.844 2.308 6.136 1.00 0.00 O ATOM 180 CB ASN A 10 -16.725 -0.204 5.865 1.00 0.00 C ATOM 181 CG ASN A 10 -17.740 -1.148 5.206 1.00 0.00 C ATOM 182 OD1 ASN A 10 -18.833 -0.744 4.862 1.00 0.00 O ATOM 183 ND2 ASN A 10 -17.418 -2.398 5.009 1.00 0.00 N ATOM 0 H ASN A 10 -15.683 -0.534 3.405 1.00 0.00 H new ATOM 0 HA ASN A 10 -17.000 1.711 4.875 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.855 -0.770 6.198 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -17.166 0.254 6.750 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -18.083 -3.033 4.567 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.501 -2.740 5.297 1.00 0.00 H new ATOM 190 N ALA A 11 -13.851 0.888 4.785 1.00 0.00 N ATOM 191 CA ALA A 11 -12.507 1.369 5.201 1.00 0.00 C ATOM 192 C ALA A 11 -11.981 2.396 4.199 1.00 0.00 C ATOM 193 O ALA A 11 -11.996 2.176 3.002 1.00 0.00 O ATOM 194 CB ALA A 11 -11.541 0.186 5.291 1.00 0.00 C ATOM 0 H ALA A 11 -13.851 0.144 4.087 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.587 1.843 6.179 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.557 0.542 5.596 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.911 -0.531 6.024 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -11.466 -0.297 4.317 1.00 0.00 H new ATOM 200 N ILE A 12 -11.514 3.514 4.692 1.00 0.00 N ATOM 201 CA ILE A 12 -10.970 4.581 3.801 1.00 0.00 C ATOM 202 C ILE A 12 -9.787 5.259 4.500 1.00 0.00 C ATOM 203 O ILE A 12 -9.830 5.532 5.686 1.00 0.00 O ATOM 204 CB ILE A 12 -12.065 5.625 3.518 1.00 0.00 C ATOM 205 CG1 ILE A 12 -13.277 4.956 2.853 1.00 0.00 C ATOM 206 CG2 ILE A 12 -11.518 6.721 2.596 1.00 0.00 C ATOM 207 CD1 ILE A 12 -12.893 4.422 1.470 1.00 0.00 C ATOM 0 H ILE A 12 -11.486 3.735 5.687 1.00 0.00 H new ATOM 0 HA ILE A 12 -10.641 4.141 2.859 1.00 0.00 H new ATOM 0 HB ILE A 12 -12.375 6.069 4.464 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -13.640 4.140 3.478 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -14.092 5.673 2.760 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -12.299 7.456 2.401 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -10.671 7.211 3.076 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.194 6.277 1.655 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -13.760 3.950 1.009 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -12.552 5.246 0.843 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.093 3.689 1.572 1.00 0.00 H new ATOM 219 N VAL A 13 -8.737 5.542 3.768 1.00 0.00 N ATOM 220 CA VAL A 13 -7.554 6.213 4.377 1.00 0.00 C ATOM 221 C VAL A 13 -7.801 7.722 4.380 1.00 0.00 C ATOM 222 O VAL A 13 -8.181 8.296 3.375 1.00 0.00 O ATOM 223 CB VAL A 13 -6.292 5.901 3.562 1.00 0.00 C ATOM 224 CG1 VAL A 13 -5.053 6.309 4.362 1.00 0.00 C ATOM 225 CG2 VAL A 13 -6.226 4.400 3.257 1.00 0.00 C ATOM 0 H VAL A 13 -8.651 5.335 2.773 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.410 5.851 5.395 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.325 6.458 2.626 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.157 6.087 3.783 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.093 7.377 4.574 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.026 5.753 5.299 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.328 4.185 2.678 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.198 3.840 4.192 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.106 4.106 2.684 1.00 0.00 H new ATOM 235 N VAL A 14 -7.597 8.364 5.501 1.00 0.00 N ATOM 236 CA VAL A 14 -7.826 9.837 5.577 1.00 0.00 C ATOM 237 C VAL A 14 -6.596 10.528 6.181 1.00 0.00 C ATOM 238 O VAL A 14 -5.917 9.982 7.030 1.00 0.00 O ATOM 239 CB VAL A 14 -9.065 10.134 6.439 1.00 0.00 C ATOM 240 CG1 VAL A 14 -10.312 9.569 5.756 1.00 0.00 C ATOM 241 CG2 VAL A 14 -8.912 9.491 7.823 1.00 0.00 C ATOM 0 H VAL A 14 -7.281 7.930 6.369 1.00 0.00 H new ATOM 0 HA VAL A 14 -7.993 10.220 4.570 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.164 11.213 6.554 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -11.189 9.780 6.368 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.432 10.033 4.777 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -10.204 8.491 5.636 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.795 9.708 8.425 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.804 8.412 7.713 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -8.028 9.896 8.317 1.00 0.00 H new ATOM 251 N LYS A 15 -6.313 11.732 5.745 1.00 0.00 N ATOM 252 CA LYS A 15 -5.138 12.484 6.279 1.00 0.00 C ATOM 253 C LYS A 15 -5.613 13.541 7.279 1.00 0.00 C ATOM 254 O LYS A 15 -6.790 13.841 7.376 1.00 0.00 O ATOM 255 CB LYS A 15 -4.389 13.162 5.123 1.00 0.00 C ATOM 256 CG LYS A 15 -5.255 14.273 4.516 1.00 0.00 C ATOM 257 CD LYS A 15 -4.954 14.403 3.020 1.00 0.00 C ATOM 258 CE LYS A 15 -5.864 13.461 2.229 1.00 0.00 C ATOM 259 NZ LYS A 15 -6.171 14.061 0.899 1.00 0.00 N ATOM 0 H LYS A 15 -6.852 12.229 5.036 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.466 11.790 6.784 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.448 13.579 5.483 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.140 12.426 4.359 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.311 14.047 4.666 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.056 15.219 5.020 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.109 15.432 2.696 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.909 14.162 2.827 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.378 12.494 2.099 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.787 13.283 2.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.869 13.470 0.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.558 15.017 1.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.300 14.115 0.333 1.00 0.00 H new ATOM 273 N ASP A 16 -4.697 14.099 8.023 1.00 0.00 N ATOM 274 CA ASP A 16 -5.062 15.137 9.031 1.00 0.00 C ATOM 275 C ASP A 16 -3.807 15.912 9.453 1.00 0.00 C ATOM 276 O ASP A 16 -2.691 15.480 9.219 1.00 0.00 O ATOM 277 CB ASP A 16 -5.679 14.448 10.257 1.00 0.00 C ATOM 278 CG ASP A 16 -6.332 15.489 11.174 1.00 0.00 C ATOM 279 OD1 ASP A 16 -7.398 15.973 10.827 1.00 0.00 O ATOM 280 OD2 ASP A 16 -5.755 15.783 12.210 1.00 0.00 O ATOM 0 H ASP A 16 -3.702 13.878 7.976 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.781 15.832 8.598 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -6.422 13.717 9.937 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.909 13.903 10.803 1.00 0.00 H new ATOM 285 N GLN A 17 -3.992 17.051 10.081 1.00 0.00 N ATOM 286 CA GLN A 17 -2.833 17.875 10.545 1.00 0.00 C ATOM 287 C GLN A 17 -1.862 16.999 11.328 1.00 0.00 C ATOM 288 O GLN A 17 -0.658 17.099 11.175 1.00 0.00 O ATOM 289 CB GLN A 17 -3.342 18.994 11.455 1.00 0.00 C ATOM 290 CG GLN A 17 -3.223 20.340 10.737 1.00 0.00 C ATOM 291 CD GLN A 17 -3.950 21.418 11.545 1.00 0.00 C ATOM 292 OE1 GLN A 17 -3.329 22.189 12.250 1.00 0.00 O ATOM 293 NE2 GLN A 17 -5.252 21.507 11.473 1.00 0.00 N ATOM 0 H GLN A 17 -4.908 17.447 10.293 1.00 0.00 H new ATOM 0 HA GLN A 17 -2.324 18.301 9.681 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.380 18.808 11.729 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.766 19.013 12.380 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.173 20.608 10.616 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -3.651 20.270 9.737 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.775 20.861 10.882 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.745 22.222 12.008 1.00 0.00 H new ATOM 302 N ASN A 18 -2.387 16.147 12.167 1.00 0.00 N ATOM 303 CA ASN A 18 -1.518 15.253 12.978 1.00 0.00 C ATOM 304 C ASN A 18 -0.754 14.286 12.062 1.00 0.00 C ATOM 305 O ASN A 18 0.458 14.199 12.136 1.00 0.00 O ATOM 306 CB ASN A 18 -2.375 14.457 13.966 1.00 0.00 C ATOM 307 CG ASN A 18 -2.792 15.361 15.129 1.00 0.00 C ATOM 308 OD1 ASN A 18 -2.086 15.468 16.113 1.00 0.00 O ATOM 309 ND2 ASN A 18 -3.917 16.020 15.060 1.00 0.00 N ATOM 0 H ASN A 18 -3.388 16.033 12.325 1.00 0.00 H new ATOM 0 HA ASN A 18 -0.801 15.862 13.529 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.258 14.065 13.462 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.815 13.600 14.341 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -4.203 16.624 15.831 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.510 15.931 14.235 1.00 0.00 H new ATOM 316 N GLU A 19 -1.450 13.563 11.201 1.00 0.00 N ATOM 317 CA GLU A 19 -0.764 12.597 10.282 1.00 0.00 C ATOM 318 C GLU A 19 -1.815 11.756 9.535 1.00 0.00 C ATOM 319 O GLU A 19 -2.993 12.071 9.534 1.00 0.00 O ATOM 320 CB GLU A 19 0.149 11.662 11.097 1.00 0.00 C ATOM 321 CG GLU A 19 -0.644 11.019 12.242 1.00 0.00 C ATOM 322 CD GLU A 19 -0.017 9.672 12.611 1.00 0.00 C ATOM 323 OE1 GLU A 19 -0.289 8.705 11.921 1.00 0.00 O ATOM 324 OE2 GLU A 19 0.725 9.630 13.579 1.00 0.00 O ATOM 0 H GLU A 19 -2.464 13.605 11.100 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.164 13.155 9.563 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.561 10.888 10.450 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.992 12.224 11.499 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.648 11.679 13.110 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.683 10.878 11.943 1.00 0.00 H new ATOM 331 N GLU A 20 -1.387 10.687 8.907 1.00 0.00 N ATOM 332 CA GLU A 20 -2.334 9.803 8.160 1.00 0.00 C ATOM 333 C GLU A 20 -3.113 8.933 9.152 1.00 0.00 C ATOM 334 O GLU A 20 -2.573 8.461 10.137 1.00 0.00 O ATOM 335 CB GLU A 20 -1.549 8.908 7.201 1.00 0.00 C ATOM 336 CG GLU A 20 -2.417 8.567 5.987 1.00 0.00 C ATOM 337 CD GLU A 20 -1.762 7.439 5.185 1.00 0.00 C ATOM 338 OE1 GLU A 20 -0.903 7.737 4.371 1.00 0.00 O ATOM 339 OE2 GLU A 20 -2.131 6.296 5.397 1.00 0.00 O ATOM 0 H GLU A 20 -0.412 10.387 8.881 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.032 10.418 7.592 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.639 9.414 6.879 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.243 7.994 7.710 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.412 8.264 6.313 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.542 9.448 5.358 1.00 0.00 H new ATOM 346 N LYS A 21 -4.381 8.726 8.896 1.00 0.00 N ATOM 347 CA LYS A 21 -5.219 7.898 9.816 1.00 0.00 C ATOM 348 C LYS A 21 -6.197 7.042 8.999 1.00 0.00 C ATOM 349 O LYS A 21 -6.798 7.510 8.050 1.00 0.00 O ATOM 350 CB LYS A 21 -6.018 8.805 10.771 1.00 0.00 C ATOM 351 CG LYS A 21 -5.873 10.279 10.363 1.00 0.00 C ATOM 352 CD LYS A 21 -6.535 11.177 11.412 1.00 0.00 C ATOM 353 CE LYS A 21 -5.708 11.168 12.702 1.00 0.00 C ATOM 354 NZ LYS A 21 -4.564 12.117 12.579 1.00 0.00 N ATOM 0 H LYS A 21 -4.874 9.098 8.084 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.562 7.252 10.399 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.070 8.520 10.757 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -5.664 8.668 11.793 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.818 10.536 10.265 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.333 10.443 9.389 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.620 12.195 11.031 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.547 10.828 11.616 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.335 11.449 13.548 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.338 10.162 12.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.842 11.884 13.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.151 12.041 11.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.901 13.089 12.734 1.00 0.00 H new ATOM 368 N ILE A 22 -6.370 5.797 9.374 1.00 0.00 N ATOM 369 CA ILE A 22 -7.319 4.908 8.641 1.00 0.00 C ATOM 370 C ILE A 22 -8.702 5.024 9.288 1.00 0.00 C ATOM 371 O ILE A 22 -8.854 4.834 10.481 1.00 0.00 O ATOM 372 CB ILE A 22 -6.837 3.453 8.714 1.00 0.00 C ATOM 373 CG1 ILE A 22 -5.539 3.293 7.907 1.00 0.00 C ATOM 374 CG2 ILE A 22 -7.917 2.525 8.148 1.00 0.00 C ATOM 375 CD1 ILE A 22 -5.813 3.506 6.415 1.00 0.00 C ATOM 0 H ILE A 22 -5.891 5.359 10.161 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.370 5.209 7.595 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.645 3.190 9.754 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.796 4.011 8.254 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.122 2.299 8.069 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.573 1.492 8.201 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.832 2.633 8.731 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.116 2.789 7.109 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.885 3.390 5.855 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.540 2.771 6.070 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.209 4.509 6.257 1.00 0.00 H new ATOM 387 N LEU A 23 -9.707 5.342 8.512 1.00 0.00 N ATOM 388 CA LEU A 23 -11.079 5.481 9.078 1.00 0.00 C ATOM 389 C LEU A 23 -11.960 4.314 8.623 1.00 0.00 C ATOM 390 O LEU A 23 -12.170 4.100 7.443 1.00 0.00 O ATOM 391 CB LEU A 23 -11.690 6.808 8.614 1.00 0.00 C ATOM 392 CG LEU A 23 -11.900 7.734 9.818 1.00 0.00 C ATOM 393 CD1 LEU A 23 -10.614 7.820 10.644 1.00 0.00 C ATOM 394 CD2 LEU A 23 -12.269 9.131 9.323 1.00 0.00 C ATOM 0 H LEU A 23 -9.634 5.511 7.509 1.00 0.00 H new ATOM 0 HA LEU A 23 -11.020 5.469 10.166 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.034 7.286 7.886 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.641 6.626 8.114 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.702 7.334 10.439 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.773 8.480 11.497 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.343 6.826 11.000 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.809 8.215 10.024 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -12.419 9.792 10.177 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.464 9.521 8.700 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -13.188 9.079 8.739 1.00 0.00 H new ATOM 406 N LEU A 24 -12.477 3.563 9.567 1.00 0.00 N ATOM 407 CA LEU A 24 -13.354 2.405 9.228 1.00 0.00 C ATOM 408 C LEU A 24 -14.796 2.741 9.619 1.00 0.00 C ATOM 409 O LEU A 24 -15.093 2.987 10.773 1.00 0.00 O ATOM 410 CB LEU A 24 -12.892 1.156 9.996 1.00 0.00 C ATOM 411 CG LEU A 24 -11.367 1.020 9.920 1.00 0.00 C ATOM 412 CD1 LEU A 24 -10.903 -0.059 10.899 1.00 0.00 C ATOM 413 CD2 LEU A 24 -10.956 0.627 8.498 1.00 0.00 C ATOM 0 H LEU A 24 -12.325 3.707 10.565 1.00 0.00 H new ATOM 0 HA LEU A 24 -13.296 2.205 8.158 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -13.207 1.224 11.037 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -13.365 0.268 9.577 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.906 1.973 10.180 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.819 -0.157 10.846 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.193 0.220 11.912 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.366 -1.011 10.638 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.871 0.531 8.446 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.418 -0.325 8.236 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.286 1.395 7.798 1.00 0.00 H new ATOM 425 N GLY A 25 -15.688 2.753 8.661 1.00 0.00 N ATOM 426 CA GLY A 25 -17.117 3.070 8.952 1.00 0.00 C ATOM 427 C GLY A 25 -18.004 2.388 7.912 1.00 0.00 C ATOM 428 O GLY A 25 -17.821 2.569 6.726 1.00 0.00 O ATOM 0 H GLY A 25 -15.484 2.555 7.681 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.381 2.729 9.953 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -17.274 4.148 8.931 1.00 0.00 H new ATOM 432 N ALA A 26 -18.952 1.598 8.353 1.00 0.00 N ATOM 433 CA ALA A 26 -19.859 0.878 7.409 1.00 0.00 C ATOM 434 C ALA A 26 -20.506 1.865 6.429 1.00 0.00 C ATOM 435 O ALA A 26 -21.437 2.578 6.760 1.00 0.00 O ATOM 436 CB ALA A 26 -20.951 0.151 8.194 1.00 0.00 C ATOM 0 H ALA A 26 -19.137 1.420 9.340 1.00 0.00 H new ATOM 0 HA ALA A 26 -19.270 0.155 6.845 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -21.610 -0.373 7.501 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -20.493 -0.568 8.873 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -21.530 0.875 8.768 1.00 0.00 H new ATOM 442 N GLY A 27 -20.009 1.889 5.221 1.00 0.00 N ATOM 443 CA GLY A 27 -20.564 2.797 4.173 1.00 0.00 C ATOM 444 C GLY A 27 -19.806 4.134 4.133 1.00 0.00 C ATOM 445 O GLY A 27 -20.226 5.055 3.458 1.00 0.00 O ATOM 0 H GLY A 27 -19.230 1.309 4.911 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.502 2.312 3.199 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -21.620 2.981 4.371 1.00 0.00 H new ATOM 449 N ILE A 28 -18.698 4.254 4.837 1.00 0.00 N ATOM 450 CA ILE A 28 -17.927 5.525 4.824 1.00 0.00 C ATOM 451 C ILE A 28 -17.443 5.812 3.394 1.00 0.00 C ATOM 452 O ILE A 28 -17.458 6.945 2.949 1.00 0.00 O ATOM 453 CB ILE A 28 -16.748 5.394 5.804 1.00 0.00 C ATOM 454 CG1 ILE A 28 -16.562 6.714 6.538 1.00 0.00 C ATOM 455 CG2 ILE A 28 -15.453 5.037 5.066 1.00 0.00 C ATOM 456 CD1 ILE A 28 -15.800 6.465 7.840 1.00 0.00 C ATOM 0 H ILE A 28 -18.301 3.517 5.420 1.00 0.00 H new ATOM 0 HA ILE A 28 -18.551 6.361 5.140 1.00 0.00 H new ATOM 0 HB ILE A 28 -16.971 4.595 6.511 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -16.014 7.418 5.911 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -17.531 7.165 6.751 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -14.637 4.951 5.784 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -15.580 4.088 4.546 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -15.219 5.818 4.343 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -15.665 7.409 8.369 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -16.366 5.776 8.467 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -14.825 6.033 7.614 1.00 0.00 H new ATOM 468 N ALA A 29 -17.040 4.791 2.668 1.00 0.00 N ATOM 469 CA ALA A 29 -16.585 4.997 1.259 1.00 0.00 C ATOM 470 C ALA A 29 -17.770 5.503 0.435 1.00 0.00 C ATOM 471 O ALA A 29 -17.628 6.382 -0.396 1.00 0.00 O ATOM 472 CB ALA A 29 -16.082 3.674 0.678 1.00 0.00 C ATOM 0 H ALA A 29 -17.008 3.825 2.994 1.00 0.00 H new ATOM 0 HA ALA A 29 -15.773 5.724 1.233 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.752 3.830 -0.349 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -15.247 3.308 1.276 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -16.888 2.940 0.692 1.00 0.00 H new ATOM 478 N PHE A 30 -18.948 4.966 0.683 1.00 0.00 N ATOM 479 CA PHE A 30 -20.157 5.422 -0.055 1.00 0.00 C ATOM 480 C PHE A 30 -20.507 6.835 0.418 1.00 0.00 C ATOM 481 O PHE A 30 -20.338 7.168 1.579 1.00 0.00 O ATOM 482 CB PHE A 30 -21.326 4.475 0.238 1.00 0.00 C ATOM 483 CG PHE A 30 -22.410 4.669 -0.798 1.00 0.00 C ATOM 484 CD1 PHE A 30 -22.326 4.009 -2.031 1.00 0.00 C ATOM 485 CD2 PHE A 30 -23.496 5.509 -0.527 1.00 0.00 C ATOM 486 CE1 PHE A 30 -23.329 4.189 -2.991 1.00 0.00 C ATOM 487 CE2 PHE A 30 -24.499 5.690 -1.487 1.00 0.00 C ATOM 488 CZ PHE A 30 -24.415 5.029 -2.719 1.00 0.00 C ATOM 0 H PHE A 30 -19.115 4.230 1.369 1.00 0.00 H new ATOM 0 HA PHE A 30 -19.964 5.423 -1.128 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -20.981 3.441 0.228 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -21.723 4.669 1.235 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -21.488 3.361 -2.241 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -23.560 6.018 0.423 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -23.265 3.680 -3.941 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -25.337 6.339 -1.278 1.00 0.00 H new ATOM 0 HZ PHE A 30 -25.189 5.168 -3.460 1.00 0.00 H new ATOM 498 N ASN A 31 -20.978 7.668 -0.476 1.00 0.00 N ATOM 499 CA ASN A 31 -21.332 9.075 -0.103 1.00 0.00 C ATOM 500 C ASN A 31 -20.057 9.856 0.251 1.00 0.00 C ATOM 501 O ASN A 31 -20.085 10.794 1.027 1.00 0.00 O ATOM 502 CB ASN A 31 -22.288 9.056 1.099 1.00 0.00 C ATOM 503 CG ASN A 31 -23.062 10.375 1.169 1.00 0.00 C ATOM 504 OD1 ASN A 31 -22.796 11.205 2.017 1.00 0.00 O ATOM 505 ND2 ASN A 31 -24.017 10.607 0.309 1.00 0.00 N ATOM 0 H ASN A 31 -21.134 7.433 -1.456 1.00 0.00 H new ATOM 0 HA ASN A 31 -21.821 9.564 -0.945 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -22.983 8.221 1.009 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -21.725 8.905 2.020 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -24.538 11.483 0.349 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -24.242 9.912 -0.403 1.00 0.00 H new ATOM 512 N LYS A 32 -18.942 9.469 -0.322 1.00 0.00 N ATOM 513 CA LYS A 32 -17.650 10.167 -0.040 1.00 0.00 C ATOM 514 C LYS A 32 -16.751 10.120 -1.284 1.00 0.00 C ATOM 515 O LYS A 32 -16.853 9.219 -2.100 1.00 0.00 O ATOM 516 CB LYS A 32 -16.937 9.467 1.124 1.00 0.00 C ATOM 517 CG LYS A 32 -17.571 9.886 2.455 1.00 0.00 C ATOM 518 CD LYS A 32 -17.167 11.324 2.786 1.00 0.00 C ATOM 519 CE LYS A 32 -18.404 12.133 3.187 1.00 0.00 C ATOM 520 NZ LYS A 32 -18.642 13.212 2.184 1.00 0.00 N ATOM 0 H LYS A 32 -18.873 8.692 -0.979 1.00 0.00 H new ATOM 0 HA LYS A 32 -17.853 11.206 0.221 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -17.004 8.386 1.005 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -15.878 9.724 1.120 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -18.656 9.808 2.393 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -17.248 9.215 3.251 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -16.439 11.329 3.598 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -16.685 11.784 1.923 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -19.275 11.480 3.247 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -18.262 12.567 4.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -19.241 13.951 2.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -17.732 13.626 1.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -19.119 12.812 1.351 1.00 0.00 H new ATOM 534 N LYS A 33 -15.867 11.082 -1.429 1.00 0.00 N ATOM 535 CA LYS A 33 -14.951 11.098 -2.612 1.00 0.00 C ATOM 536 C LYS A 33 -13.658 11.852 -2.265 1.00 0.00 C ATOM 537 O LYS A 33 -13.513 12.393 -1.181 1.00 0.00 O ATOM 538 CB LYS A 33 -15.649 11.773 -3.802 1.00 0.00 C ATOM 539 CG LYS A 33 -16.053 13.203 -3.433 1.00 0.00 C ATOM 540 CD LYS A 33 -16.726 13.874 -4.633 1.00 0.00 C ATOM 541 CE LYS A 33 -15.887 15.070 -5.090 1.00 0.00 C ATOM 542 NZ LYS A 33 -16.689 15.921 -6.014 1.00 0.00 N ATOM 0 H LYS A 33 -15.742 11.856 -0.777 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.700 10.072 -2.882 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -14.983 11.786 -4.665 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -16.531 11.200 -4.089 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.734 13.191 -2.582 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -15.175 13.773 -3.131 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -16.833 13.159 -5.449 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.730 14.203 -4.363 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -15.568 15.654 -4.227 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -14.984 14.723 -5.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -16.117 16.733 -6.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -16.972 15.361 -6.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -17.538 16.264 -5.521 1.00 0.00 H new ATOM 556 N LYS A 34 -12.716 11.883 -3.180 1.00 0.00 N ATOM 557 CA LYS A 34 -11.422 12.587 -2.925 1.00 0.00 C ATOM 558 C LYS A 34 -11.669 14.072 -2.662 1.00 0.00 C ATOM 559 O LYS A 34 -12.397 14.734 -3.382 1.00 0.00 O ATOM 560 CB LYS A 34 -10.502 12.434 -4.143 1.00 0.00 C ATOM 561 CG LYS A 34 -9.138 11.899 -3.696 1.00 0.00 C ATOM 562 CD LYS A 34 -8.346 13.012 -3.005 1.00 0.00 C ATOM 563 CE LYS A 34 -6.934 12.515 -2.679 1.00 0.00 C ATOM 564 NZ LYS A 34 -6.075 12.612 -3.894 1.00 0.00 N ATOM 0 H LYS A 34 -12.791 11.447 -4.099 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.949 12.143 -2.049 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.951 11.754 -4.867 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.381 13.395 -4.642 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.272 11.059 -3.015 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -8.583 11.526 -4.557 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.293 13.889 -3.651 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.854 13.319 -2.091 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.506 13.109 -1.871 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.973 11.483 -2.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.117 12.274 -3.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.480 12.027 -4.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.028 13.602 -4.208 1.00 0.00 H new ATOM 578 N ASN A 35 -11.052 14.583 -1.624 1.00 0.00 N ATOM 579 CA ASN A 35 -11.195 16.024 -1.254 1.00 0.00 C ATOM 580 C ASN A 35 -12.594 16.316 -0.678 1.00 0.00 C ATOM 581 O ASN A 35 -12.948 17.463 -0.464 1.00 0.00 O ATOM 582 CB ASN A 35 -10.945 16.902 -2.488 1.00 0.00 C ATOM 583 CG ASN A 35 -9.739 17.811 -2.238 1.00 0.00 C ATOM 584 OD1 ASN A 35 -9.880 19.014 -2.147 1.00 0.00 O ATOM 585 ND2 ASN A 35 -8.549 17.284 -2.123 1.00 0.00 N ATOM 0 H ASN A 35 -10.442 14.049 -1.005 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.458 16.254 -0.485 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.766 16.276 -3.362 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.828 17.504 -2.703 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.740 17.883 -1.957 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.429 16.274 -2.199 1.00 0.00 H new ATOM 592 N ASP A 36 -13.386 15.299 -0.414 1.00 0.00 N ATOM 593 CA ASP A 36 -14.749 15.531 0.155 1.00 0.00 C ATOM 594 C ASP A 36 -14.727 15.352 1.683 1.00 0.00 C ATOM 595 O ASP A 36 -15.732 15.555 2.341 1.00 0.00 O ATOM 596 CB ASP A 36 -15.731 14.529 -0.461 1.00 0.00 C ATOM 597 CG ASP A 36 -17.013 15.255 -0.882 1.00 0.00 C ATOM 598 OD1 ASP A 36 -17.010 15.859 -1.943 1.00 0.00 O ATOM 599 OD2 ASP A 36 -17.978 15.194 -0.136 1.00 0.00 O ATOM 0 H ASP A 36 -13.144 14.320 -0.569 1.00 0.00 H new ATOM 0 HA ASP A 36 -15.063 16.549 -0.077 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -15.276 14.043 -1.324 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -15.965 13.745 0.259 1.00 0.00 H new ATOM 604 N ILE A 37 -13.591 14.974 2.249 1.00 0.00 N ATOM 605 CA ILE A 37 -13.483 14.771 3.728 1.00 0.00 C ATOM 606 C ILE A 37 -14.351 13.579 4.155 1.00 0.00 C ATOM 607 O ILE A 37 -15.374 13.298 3.562 1.00 0.00 O ATOM 608 CB ILE A 37 -13.928 16.035 4.465 1.00 0.00 C ATOM 609 CG1 ILE A 37 -13.140 17.240 3.931 1.00 0.00 C ATOM 610 CG2 ILE A 37 -13.668 15.869 5.966 1.00 0.00 C ATOM 611 CD1 ILE A 37 -13.598 18.516 4.638 1.00 0.00 C ATOM 0 H ILE A 37 -12.728 14.798 1.734 1.00 0.00 H new ATOM 0 HA ILE A 37 -12.444 14.563 3.983 1.00 0.00 H new ATOM 0 HB ILE A 37 -14.993 16.199 4.301 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -12.073 17.088 4.092 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -13.290 17.336 2.856 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.985 16.770 6.492 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -14.230 15.013 6.340 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.604 15.706 6.135 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -13.035 19.367 4.254 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -14.661 18.672 4.455 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -13.425 18.420 5.710 1.00 0.00 H new ATOM 623 N VAL A 38 -13.938 12.874 5.178 1.00 0.00 N ATOM 624 CA VAL A 38 -14.723 11.693 5.648 1.00 0.00 C ATOM 625 C VAL A 38 -15.900 12.149 6.512 1.00 0.00 C ATOM 626 O VAL A 38 -15.770 13.019 7.358 1.00 0.00 O ATOM 627 CB VAL A 38 -13.822 10.753 6.464 1.00 0.00 C ATOM 628 CG1 VAL A 38 -13.331 11.458 7.730 1.00 0.00 C ATOM 629 CG2 VAL A 38 -14.619 9.509 6.868 1.00 0.00 C ATOM 0 H VAL A 38 -13.089 13.066 5.709 1.00 0.00 H new ATOM 0 HA VAL A 38 -15.105 11.161 4.777 1.00 0.00 H new ATOM 0 HB VAL A 38 -12.965 10.469 5.853 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.694 10.781 8.299 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -12.763 12.346 7.455 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -14.187 11.749 8.339 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.982 8.841 7.447 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -15.476 9.806 7.472 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -14.967 8.993 5.973 1.00 0.00 H new ATOM 639 N ASP A 39 -17.044 11.546 6.313 1.00 0.00 N ATOM 640 CA ASP A 39 -18.241 11.902 7.123 1.00 0.00 C ATOM 641 C ASP A 39 -18.049 11.337 8.537 1.00 0.00 C ATOM 642 O ASP A 39 -17.709 10.179 8.690 1.00 0.00 O ATOM 643 CB ASP A 39 -19.492 11.289 6.482 1.00 0.00 C ATOM 644 CG ASP A 39 -20.749 11.848 7.156 1.00 0.00 C ATOM 645 OD1 ASP A 39 -21.157 12.941 6.795 1.00 0.00 O ATOM 646 OD2 ASP A 39 -21.286 11.172 8.016 1.00 0.00 O ATOM 0 H ASP A 39 -17.198 10.816 5.617 1.00 0.00 H new ATOM 0 HA ASP A 39 -18.363 12.984 7.167 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -19.511 11.512 5.415 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -19.468 10.204 6.581 1.00 0.00 H new ATOM 651 N PRO A 40 -18.260 12.173 9.528 1.00 0.00 N ATOM 652 CA PRO A 40 -18.097 11.781 10.943 1.00 0.00 C ATOM 653 C PRO A 40 -19.221 10.838 11.384 1.00 0.00 C ATOM 654 O PRO A 40 -18.987 9.913 12.142 1.00 0.00 O ATOM 655 CB PRO A 40 -18.141 13.109 11.697 1.00 0.00 C ATOM 656 CG PRO A 40 -18.861 14.113 10.768 1.00 0.00 C ATOM 657 CD PRO A 40 -18.696 13.573 9.336 1.00 0.00 C ATOM 0 HA PRO A 40 -17.174 11.232 11.130 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -18.674 13.002 12.642 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -17.135 13.454 11.936 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -19.915 14.199 11.032 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -18.427 15.108 10.860 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -19.632 13.627 8.779 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -17.958 14.147 8.776 1.00 0.00 H new ATOM 665 N SER A 41 -20.426 11.044 10.903 1.00 0.00 N ATOM 666 CA SER A 41 -21.549 10.133 11.278 1.00 0.00 C ATOM 667 C SER A 41 -21.205 8.713 10.806 1.00 0.00 C ATOM 668 O SER A 41 -21.616 7.734 11.402 1.00 0.00 O ATOM 669 CB SER A 41 -22.845 10.602 10.609 1.00 0.00 C ATOM 670 OG SER A 41 -23.949 10.277 11.444 1.00 0.00 O ATOM 0 H SER A 41 -20.677 11.802 10.269 1.00 0.00 H new ATOM 0 HA SER A 41 -21.690 10.143 12.359 1.00 0.00 H new ATOM 0 HB2 SER A 41 -22.810 11.678 10.436 1.00 0.00 H new ATOM 0 HB3 SER A 41 -22.958 10.126 9.635 1.00 0.00 H new ATOM 0 HG SER A 41 -24.780 10.577 11.020 1.00 0.00 H new ATOM 676 N LYS A 42 -20.436 8.607 9.743 1.00 0.00 N ATOM 677 CA LYS A 42 -20.031 7.272 9.215 1.00 0.00 C ATOM 678 C LYS A 42 -18.771 6.778 9.947 1.00 0.00 C ATOM 679 O LYS A 42 -18.556 5.587 10.067 1.00 0.00 O ATOM 680 CB LYS A 42 -19.728 7.385 7.717 1.00 0.00 C ATOM 681 CG LYS A 42 -21.004 7.747 6.953 1.00 0.00 C ATOM 682 CD LYS A 42 -20.798 7.455 5.463 1.00 0.00 C ATOM 683 CE LYS A 42 -21.867 8.177 4.639 1.00 0.00 C ATOM 684 NZ LYS A 42 -21.525 9.624 4.523 1.00 0.00 N ATOM 0 H LYS A 42 -20.071 9.401 9.217 1.00 0.00 H new ATOM 0 HA LYS A 42 -20.845 6.565 9.376 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -18.965 8.144 7.548 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -19.327 6.442 7.346 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -21.847 7.172 7.336 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -21.244 8.800 7.100 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -19.805 7.782 5.153 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -20.851 6.381 5.283 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -21.938 7.730 3.647 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -22.843 8.061 5.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -22.058 10.045 3.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -21.772 10.111 5.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -20.506 9.727 4.344 1.00 0.00 H new ATOM 698 N ILE A 43 -17.940 7.684 10.429 1.00 0.00 N ATOM 699 CA ILE A 43 -16.690 7.270 11.153 1.00 0.00 C ATOM 700 C ILE A 43 -17.051 6.339 12.315 1.00 0.00 C ATOM 701 O ILE A 43 -17.632 6.755 13.303 1.00 0.00 O ATOM 702 CB ILE A 43 -15.961 8.509 11.693 1.00 0.00 C ATOM 703 CG1 ILE A 43 -15.329 9.275 10.527 1.00 0.00 C ATOM 704 CG2 ILE A 43 -14.857 8.076 12.666 1.00 0.00 C ATOM 705 CD1 ILE A 43 -14.872 10.657 11.004 1.00 0.00 C ATOM 0 H ILE A 43 -18.076 8.692 10.351 1.00 0.00 H new ATOM 0 HA ILE A 43 -16.034 6.745 10.458 1.00 0.00 H new ATOM 0 HB ILE A 43 -16.675 9.148 12.213 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -14.480 8.718 10.131 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -16.049 9.380 9.715 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -14.342 8.958 13.047 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -15.299 7.527 13.497 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -14.144 7.436 12.146 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -14.423 11.199 10.172 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -15.730 11.215 11.379 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -14.137 10.542 11.801 1.00 0.00 H new ATOM 717 N GLU A 44 -16.701 5.085 12.196 1.00 0.00 N ATOM 718 CA GLU A 44 -17.000 4.100 13.274 1.00 0.00 C ATOM 719 C GLU A 44 -15.715 3.790 14.050 1.00 0.00 C ATOM 720 O GLU A 44 -15.755 3.467 15.224 1.00 0.00 O ATOM 721 CB GLU A 44 -17.543 2.812 12.653 1.00 0.00 C ATOM 722 CG GLU A 44 -18.998 3.023 12.229 1.00 0.00 C ATOM 723 CD GLU A 44 -19.749 1.688 12.276 1.00 0.00 C ATOM 724 OE1 GLU A 44 -20.301 1.376 13.319 1.00 0.00 O ATOM 725 OE2 GLU A 44 -19.762 1.001 11.266 1.00 0.00 O ATOM 0 H GLU A 44 -16.215 4.698 11.387 1.00 0.00 H new ATOM 0 HA GLU A 44 -17.744 4.517 13.952 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -16.939 2.529 11.791 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -17.477 1.994 13.370 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -19.478 3.745 12.890 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -19.037 3.438 11.222 1.00 0.00 H new ATOM 732 N LYS A 45 -14.576 3.885 13.400 1.00 0.00 N ATOM 733 CA LYS A 45 -13.281 3.598 14.089 1.00 0.00 C ATOM 734 C LYS A 45 -12.165 4.452 13.476 1.00 0.00 C ATOM 735 O LYS A 45 -12.043 4.557 12.267 1.00 0.00 O ATOM 736 CB LYS A 45 -12.935 2.112 13.931 1.00 0.00 C ATOM 737 CG LYS A 45 -12.778 1.472 15.315 1.00 0.00 C ATOM 738 CD LYS A 45 -13.358 0.055 15.296 1.00 0.00 C ATOM 739 CE LYS A 45 -12.292 -0.930 14.810 1.00 0.00 C ATOM 740 NZ LYS A 45 -12.863 -2.308 14.776 1.00 0.00 N ATOM 0 H LYS A 45 -14.491 4.150 12.419 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.377 3.839 15.148 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.719 1.603 13.370 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.013 2.001 13.361 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.725 1.441 15.595 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.289 2.075 16.065 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.697 -0.223 16.294 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.229 0.016 14.641 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.944 -0.645 13.817 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -11.426 -0.900 15.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.095 -2.999 14.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -13.369 -2.496 15.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.524 -2.390 13.977 1.00 0.00 H new ATOM 754 N THR A 46 -11.351 5.063 14.307 1.00 0.00 N ATOM 755 CA THR A 46 -10.237 5.913 13.793 1.00 0.00 C ATOM 756 C THR A 46 -8.893 5.251 14.126 1.00 0.00 C ATOM 757 O THR A 46 -8.571 5.027 15.279 1.00 0.00 O ATOM 758 CB THR A 46 -10.308 7.304 14.440 1.00 0.00 C ATOM 759 OG1 THR A 46 -11.543 7.921 14.101 1.00 0.00 O ATOM 760 CG2 THR A 46 -9.151 8.171 13.935 1.00 0.00 C ATOM 0 H THR A 46 -11.414 5.006 15.323 1.00 0.00 H new ATOM 0 HA THR A 46 -10.328 6.018 12.712 1.00 0.00 H new ATOM 0 HB THR A 46 -10.235 7.201 15.523 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.590 8.808 14.515 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.206 9.157 14.397 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.203 7.701 14.196 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.219 8.274 12.852 1.00 0.00 H new ATOM 768 N PHE A 47 -8.116 4.939 13.118 1.00 0.00 N ATOM 769 CA PHE A 47 -6.791 4.291 13.336 1.00 0.00 C ATOM 770 C PHE A 47 -5.672 5.232 12.883 1.00 0.00 C ATOM 771 O PHE A 47 -5.842 6.020 11.973 1.00 0.00 O ATOM 772 CB PHE A 47 -6.710 3.004 12.515 1.00 0.00 C ATOM 773 CG PHE A 47 -7.316 1.854 13.282 1.00 0.00 C ATOM 774 CD1 PHE A 47 -8.702 1.781 13.465 1.00 0.00 C ATOM 775 CD2 PHE A 47 -6.487 0.854 13.803 1.00 0.00 C ATOM 776 CE1 PHE A 47 -9.256 0.707 14.170 1.00 0.00 C ATOM 777 CE2 PHE A 47 -7.042 -0.217 14.508 1.00 0.00 C ATOM 778 CZ PHE A 47 -8.426 -0.291 14.692 1.00 0.00 C ATOM 0 H PHE A 47 -8.350 5.110 12.140 1.00 0.00 H new ATOM 0 HA PHE A 47 -6.678 4.066 14.397 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.234 3.135 11.568 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.670 2.782 12.275 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.342 2.552 13.063 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -5.418 0.910 13.660 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.325 0.648 14.311 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.402 -0.988 14.911 1.00 0.00 H new ATOM 0 HZ PHE A 47 -8.855 -1.119 15.237 1.00 0.00 H new ATOM 788 N ILE A 48 -4.531 5.150 13.517 1.00 0.00 N ATOM 789 CA ILE A 48 -3.382 6.027 13.140 1.00 0.00 C ATOM 790 C ILE A 48 -2.079 5.229 13.261 1.00 0.00 C ATOM 791 O ILE A 48 -1.869 4.516 14.228 1.00 0.00 O ATOM 792 CB ILE A 48 -3.324 7.252 14.065 1.00 0.00 C ATOM 793 CG1 ILE A 48 -4.606 7.333 14.909 1.00 0.00 C ATOM 794 CG2 ILE A 48 -3.186 8.518 13.214 1.00 0.00 C ATOM 795 CD1 ILE A 48 -4.705 8.699 15.581 1.00 0.00 C ATOM 0 H ILE A 48 -4.344 4.507 14.287 1.00 0.00 H new ATOM 0 HA ILE A 48 -3.513 6.368 12.113 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.467 7.162 14.732 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.478 7.166 14.277 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.604 6.547 15.664 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.144 9.391 13.865 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.272 8.462 12.624 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.044 8.603 12.547 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.617 8.746 16.177 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.841 8.850 16.228 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.728 9.478 14.819 1.00 0.00 H new ATOM 807 N ARG A 49 -1.207 5.337 12.285 1.00 0.00 N ATOM 808 CA ARG A 49 0.079 4.580 12.333 1.00 0.00 C ATOM 809 C ARG A 49 0.957 5.112 13.471 1.00 0.00 C ATOM 810 O ARG A 49 1.235 6.297 13.560 1.00 0.00 O ATOM 811 CB ARG A 49 0.817 4.703 10.988 1.00 0.00 C ATOM 812 CG ARG A 49 1.160 6.170 10.694 1.00 0.00 C ATOM 813 CD ARG A 49 0.525 6.593 9.368 1.00 0.00 C ATOM 814 NE ARG A 49 1.562 7.205 8.489 1.00 0.00 N ATOM 815 CZ ARG A 49 1.943 6.588 7.402 1.00 0.00 C ATOM 816 NH1 ARG A 49 2.782 5.587 7.480 1.00 0.00 N ATOM 817 NH2 ARG A 49 1.487 6.972 6.239 1.00 0.00 N ATOM 0 H ARG A 49 -1.334 5.919 11.457 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.136 3.527 12.517 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.730 4.108 11.012 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.196 4.301 10.188 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.798 6.807 11.501 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.241 6.298 10.648 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.080 5.729 8.875 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.279 7.306 9.550 1.00 0.00 H new ATOM 0 HE ARG A 49 1.974 8.105 8.736 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.138 5.289 8.388 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.080 5.104 6.632 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.834 7.753 6.180 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.784 6.491 5.390 1.00 0.00 H new ATOM 928 N MET B 1 -0.002 -11.217 17.009 1.00 0.00 N ATOM 929 CA MET B 1 -0.607 -10.690 15.750 1.00 0.00 C ATOM 930 C MET B 1 -1.495 -11.765 15.114 1.00 0.00 C ATOM 931 O MET B 1 -1.064 -12.879 14.880 1.00 0.00 O ATOM 932 CB MET B 1 0.503 -10.297 14.767 1.00 0.00 C ATOM 933 CG MET B 1 1.037 -8.908 15.125 1.00 0.00 C ATOM 934 SD MET B 1 2.589 -8.611 14.241 1.00 0.00 S ATOM 935 CE MET B 1 1.864 -8.052 12.679 1.00 0.00 C ATOM 0 H1 MET B 1 0.573 -10.474 17.456 1.00 0.00 H new ATOM 0 H2 MET B 1 -0.757 -11.509 17.661 1.00 0.00 H new ATOM 0 H3 MET B 1 0.601 -12.035 16.788 1.00 0.00 H new ATOM 0 HA MET B 1 -1.211 -9.813 15.984 1.00 0.00 H new ATOM 0 HB2 MET B 1 1.310 -11.029 14.803 1.00 0.00 H new ATOM 0 HB3 MET B 1 0.117 -10.298 13.748 1.00 0.00 H new ATOM 0 HG2 MET B 1 0.304 -8.146 14.861 1.00 0.00 H new ATOM 0 HG3 MET B 1 1.199 -8.835 16.200 1.00 0.00 H new ATOM 0 HE1 MET B 1 2.152 -8.735 11.879 1.00 0.00 H new ATOM 0 HE2 MET B 1 0.778 -8.034 12.768 1.00 0.00 H new ATOM 0 HE3 MET B 1 2.225 -7.050 12.448 1.00 0.00 H new ATOM 947 N LYS B 2 -2.736 -11.438 14.838 1.00 0.00 N ATOM 948 CA LYS B 2 -3.669 -12.419 14.222 1.00 0.00 C ATOM 949 C LYS B 2 -4.611 -11.698 13.253 1.00 0.00 C ATOM 950 O LYS B 2 -4.559 -10.491 13.097 1.00 0.00 O ATOM 951 CB LYS B 2 -4.490 -13.088 15.321 1.00 0.00 C ATOM 952 CG LYS B 2 -3.826 -14.404 15.719 1.00 0.00 C ATOM 953 CD LYS B 2 -4.882 -15.508 15.810 1.00 0.00 C ATOM 954 CE LYS B 2 -4.191 -16.871 15.901 1.00 0.00 C ATOM 955 NZ LYS B 2 -4.604 -17.558 17.158 1.00 0.00 N ATOM 0 H LYS B 2 -3.141 -10.519 15.018 1.00 0.00 H new ATOM 0 HA LYS B 2 -3.098 -13.171 13.677 1.00 0.00 H new ATOM 0 HB2 LYS B 2 -4.565 -12.429 16.186 1.00 0.00 H new ATOM 0 HB3 LYS B 2 -5.506 -13.272 14.971 1.00 0.00 H new ATOM 0 HG2 LYS B 2 -3.065 -14.675 14.987 1.00 0.00 H new ATOM 0 HG3 LYS B 2 -3.320 -14.292 16.678 1.00 0.00 H new ATOM 0 HD2 LYS B 2 -5.514 -15.350 16.684 1.00 0.00 H new ATOM 0 HD3 LYS B 2 -5.533 -15.476 14.936 1.00 0.00 H new ATOM 0 HE2 LYS B 2 -4.454 -17.482 15.037 1.00 0.00 H new ATOM 0 HE3 LYS B 2 -3.109 -16.743 15.883 1.00 0.00 H new ATOM 0 HZ1 LYS B 2 -3.776 -18.010 17.595 1.00 0.00 H new ATOM 0 HZ2 LYS B 2 -5.006 -16.862 17.818 1.00 0.00 H new ATOM 0 HZ3 LYS B 2 -5.319 -18.281 16.940 1.00 0.00 H new ATOM 969 N ILE B 3 -5.473 -12.437 12.607 1.00 0.00 N ATOM 970 CA ILE B 3 -6.435 -11.820 11.644 1.00 0.00 C ATOM 971 C ILE B 3 -7.722 -11.446 12.382 1.00 0.00 C ATOM 972 O ILE B 3 -8.536 -12.293 12.707 1.00 0.00 O ATOM 973 CB ILE B 3 -6.758 -12.809 10.512 1.00 0.00 C ATOM 974 CG1 ILE B 3 -5.467 -13.374 9.893 1.00 0.00 C ATOM 975 CG2 ILE B 3 -7.571 -12.097 9.426 1.00 0.00 C ATOM 976 CD1 ILE B 3 -4.408 -12.278 9.745 1.00 0.00 C ATOM 0 H ILE B 3 -5.553 -13.449 12.705 1.00 0.00 H new ATOM 0 HA ILE B 3 -5.986 -10.925 11.214 1.00 0.00 H new ATOM 0 HB ILE B 3 -7.335 -13.634 10.929 1.00 0.00 H new ATOM 0 HG12 ILE B 3 -5.080 -14.177 10.520 1.00 0.00 H new ATOM 0 HG13 ILE B 3 -5.686 -13.808 8.917 1.00 0.00 H new ATOM 0 HG21 ILE B 3 -7.800 -12.799 8.624 1.00 0.00 H new ATOM 0 HG22 ILE B 3 -8.500 -11.721 9.855 1.00 0.00 H new ATOM 0 HG23 ILE B 3 -6.993 -11.264 9.026 1.00 0.00 H new ATOM 0 HD11 ILE B 3 -3.505 -12.702 9.305 1.00 0.00 H new ATOM 0 HD12 ILE B 3 -4.790 -11.488 9.099 1.00 0.00 H new ATOM 0 HD13 ILE B 3 -4.174 -11.863 10.726 1.00 0.00 H new ATOM 988 N LYS B 4 -7.907 -10.177 12.639 1.00 0.00 N ATOM 989 CA LYS B 4 -9.135 -9.712 13.343 1.00 0.00 C ATOM 990 C LYS B 4 -10.256 -9.514 12.321 1.00 0.00 C ATOM 991 O LYS B 4 -11.400 -9.848 12.572 1.00 0.00 O ATOM 992 CB LYS B 4 -8.843 -8.382 14.045 1.00 0.00 C ATOM 993 CG LYS B 4 -9.968 -8.061 15.035 1.00 0.00 C ATOM 994 CD LYS B 4 -10.935 -7.056 14.402 1.00 0.00 C ATOM 995 CE LYS B 4 -12.260 -7.066 15.166 1.00 0.00 C ATOM 996 NZ LYS B 4 -13.120 -5.944 14.690 1.00 0.00 N ATOM 0 H LYS B 4 -7.252 -9.437 12.388 1.00 0.00 H new ATOM 0 HA LYS B 4 -9.440 -10.454 14.081 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -7.889 -8.439 14.570 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -8.755 -7.583 13.309 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -10.500 -8.973 15.305 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -9.551 -7.651 15.955 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -10.500 -6.057 14.421 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -11.105 -7.310 13.356 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -12.770 -8.017 15.017 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -12.075 -6.968 16.236 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -14.020 -5.952 15.210 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -12.633 -5.040 14.854 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -13.307 -6.057 13.673 1.00 0.00 H new ATOM 1010 N ARG B 5 -9.927 -8.973 11.171 1.00 0.00 N ATOM 1011 CA ARG B 5 -10.959 -8.740 10.117 1.00 0.00 C ATOM 1012 C ARG B 5 -10.287 -8.542 8.753 1.00 0.00 C ATOM 1013 O ARG B 5 -9.075 -8.549 8.636 1.00 0.00 O ATOM 1014 CB ARG B 5 -11.771 -7.488 10.466 1.00 0.00 C ATOM 1015 CG ARG B 5 -13.157 -7.897 10.966 1.00 0.00 C ATOM 1016 CD ARG B 5 -14.141 -6.742 10.749 1.00 0.00 C ATOM 1017 NE ARG B 5 -15.008 -7.036 9.571 1.00 0.00 N ATOM 1018 CZ ARG B 5 -14.535 -6.906 8.358 1.00 0.00 C ATOM 1019 NH1 ARG B 5 -14.136 -5.736 7.931 1.00 0.00 N ATOM 1020 NH2 ARG B 5 -14.464 -7.950 7.571 1.00 0.00 N ATOM 0 H ARG B 5 -8.982 -8.682 10.919 1.00 0.00 H new ATOM 0 HA ARG B 5 -11.617 -9.607 10.069 1.00 0.00 H new ATOM 0 HB2 ARG B 5 -11.254 -6.909 11.231 1.00 0.00 H new ATOM 0 HB3 ARG B 5 -11.864 -6.847 9.589 1.00 0.00 H new ATOM 0 HG2 ARG B 5 -13.499 -8.785 10.435 1.00 0.00 H new ATOM 0 HG3 ARG B 5 -13.112 -8.156 12.024 1.00 0.00 H new ATOM 0 HD2 ARG B 5 -14.755 -6.602 11.639 1.00 0.00 H new ATOM 0 HD3 ARG B 5 -13.596 -5.812 10.589 1.00 0.00 H new ATOM 0 HE ARG B 5 -15.972 -7.339 9.712 1.00 0.00 H new ATOM 0 HH11 ARG B 5 -14.193 -4.923 8.544 1.00 0.00 H new ATOM 0 HH12 ARG B 5 -13.768 -5.637 6.985 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -14.777 -8.862 7.904 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -14.096 -7.851 6.625 1.00 0.00 H new ATOM 1034 N ILE B 6 -11.079 -8.362 7.726 1.00 0.00 N ATOM 1035 CA ILE B 6 -10.528 -8.156 6.352 1.00 0.00 C ATOM 1036 C ILE B 6 -11.091 -6.856 5.774 1.00 0.00 C ATOM 1037 O ILE B 6 -12.293 -6.649 5.740 1.00 0.00 O ATOM 1038 CB ILE B 6 -10.927 -9.332 5.452 1.00 0.00 C ATOM 1039 CG1 ILE B 6 -10.478 -10.652 6.093 1.00 0.00 C ATOM 1040 CG2 ILE B 6 -10.262 -9.183 4.079 1.00 0.00 C ATOM 1041 CD1 ILE B 6 -11.678 -11.341 6.746 1.00 0.00 C ATOM 0 H ILE B 6 -12.097 -8.349 7.782 1.00 0.00 H new ATOM 0 HA ILE B 6 -9.441 -8.096 6.401 1.00 0.00 H new ATOM 0 HB ILE B 6 -12.010 -9.336 5.333 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -10.039 -11.304 5.338 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -9.706 -10.462 6.838 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -10.548 -10.021 3.443 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -10.585 -8.250 3.617 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -9.179 -9.172 4.199 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -11.357 -12.278 7.200 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -12.098 -10.691 7.514 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -12.436 -11.546 5.990 1.00 0.00 H new ATOM 1053 N LEU B 7 -10.228 -5.984 5.318 1.00 0.00 N ATOM 1054 CA LEU B 7 -10.685 -4.696 4.736 1.00 0.00 C ATOM 1055 C LEU B 7 -10.714 -4.828 3.213 1.00 0.00 C ATOM 1056 O LEU B 7 -11.700 -4.516 2.571 1.00 0.00 O ATOM 1057 CB LEU B 7 -9.718 -3.591 5.152 1.00 0.00 C ATOM 1058 CG LEU B 7 -9.655 -3.536 6.679 1.00 0.00 C ATOM 1059 CD1 LEU B 7 -8.270 -3.062 7.127 1.00 0.00 C ATOM 1060 CD2 LEU B 7 -10.715 -2.570 7.201 1.00 0.00 C ATOM 0 H LEU B 7 -9.217 -6.115 5.326 1.00 0.00 H new ATOM 0 HA LEU B 7 -11.684 -4.448 5.095 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -8.727 -3.783 4.741 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -10.048 -2.632 4.754 1.00 0.00 H new ATOM 0 HG LEU B 7 -9.841 -4.533 7.079 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -8.233 -3.025 8.216 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -7.512 -3.755 6.761 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -8.078 -2.068 6.724 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -10.668 -2.532 8.289 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -10.532 -1.575 6.795 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -11.703 -2.912 6.892 1.00 0.00 H new ATOM 1072 N ASN B 8 -9.643 -5.323 2.644 1.00 0.00 N ATOM 1073 CA ASN B 8 -9.580 -5.527 1.163 1.00 0.00 C ATOM 1074 C ASN B 8 -8.326 -6.348 0.808 1.00 0.00 C ATOM 1075 O ASN B 8 -7.674 -6.901 1.676 1.00 0.00 O ATOM 1076 CB ASN B 8 -9.606 -4.173 0.421 1.00 0.00 C ATOM 1077 CG ASN B 8 -8.239 -3.484 0.457 1.00 0.00 C ATOM 1078 OD1 ASN B 8 -7.337 -3.857 -0.264 1.00 0.00 O ATOM 1079 ND2 ASN B 8 -8.056 -2.464 1.241 1.00 0.00 N ATOM 0 H ASN B 8 -8.800 -5.598 3.148 1.00 0.00 H new ATOM 0 HA ASN B 8 -10.458 -6.085 0.839 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -9.907 -4.331 -0.615 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -10.354 -3.523 0.875 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -7.158 -1.981 1.248 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -8.811 -2.146 1.849 1.00 0.00 H new ATOM 1086 N HIS B 9 -8.006 -6.453 -0.460 1.00 0.00 N ATOM 1087 CA HIS B 9 -6.818 -7.260 -0.901 1.00 0.00 C ATOM 1088 C HIS B 9 -5.530 -6.835 -0.168 1.00 0.00 C ATOM 1089 O HIS B 9 -4.642 -7.644 0.040 1.00 0.00 O ATOM 1090 CB HIS B 9 -6.620 -7.071 -2.409 1.00 0.00 C ATOM 1091 CG HIS B 9 -5.729 -8.158 -2.946 1.00 0.00 C ATOM 1092 ND1 HIS B 9 -4.396 -8.176 -3.270 1.00 0.00 N flip ATOM 1093 CD2 HIS B 9 -6.200 -9.435 -3.214 1.00 0.00 C flip ATOM 1094 CE1 HIS B 9 -4.042 -9.439 -3.732 1.00 0.00 C flip ATOM 1095 NE2 HIS B 9 -5.166 -10.158 -3.679 1.00 0.00 N flip ATOM 0 H HIS B 9 -8.523 -6.009 -1.219 1.00 0.00 H new ATOM 0 HA HIS B 9 -7.012 -8.305 -0.661 1.00 0.00 H new ATOM 0 HB2 HIS B 9 -7.584 -7.094 -2.917 1.00 0.00 H new ATOM 0 HB3 HIS B 9 -6.178 -6.095 -2.608 1.00 0.00 H new ATOM 0 HD2 HIS B 9 -7.212 -9.785 -3.075 1.00 0.00 H new ATOM 0 HE1 HIS B 9 -3.068 -9.768 -4.063 1.00 0.00 H new ATOM 0 HE2 HIS B 9 -5.232 -11.137 -3.957 1.00 0.00 H new ATOM 1103 N ASN B 10 -5.404 -5.581 0.194 1.00 0.00 N ATOM 1104 CA ASN B 10 -4.163 -5.107 0.876 1.00 0.00 C ATOM 1105 C ASN B 10 -4.439 -4.686 2.321 1.00 0.00 C ATOM 1106 O ASN B 10 -3.554 -4.734 3.155 1.00 0.00 O ATOM 1107 CB ASN B 10 -3.597 -3.906 0.114 1.00 0.00 C ATOM 1108 CG ASN B 10 -3.843 -4.066 -1.393 1.00 0.00 C ATOM 1109 OD1 ASN B 10 -3.315 -4.966 -2.017 1.00 0.00 O ATOM 1110 ND2 ASN B 10 -4.633 -3.227 -2.006 1.00 0.00 N ATOM 0 H ASN B 10 -6.113 -4.863 0.045 1.00 0.00 H new ATOM 0 HA ASN B 10 -3.450 -5.932 0.887 1.00 0.00 H new ATOM 0 HB2 ASN B 10 -4.064 -2.988 0.470 1.00 0.00 H new ATOM 0 HB3 ASN B 10 -2.528 -3.815 0.307 1.00 0.00 H new ATOM 0 HD21 ASN B 10 -4.806 -3.327 -3.006 1.00 0.00 H new ATOM 0 HD22 ASN B 10 -5.077 -2.471 -1.485 1.00 0.00 H new ATOM 1117 N ALA B 11 -5.636 -4.260 2.630 1.00 0.00 N ATOM 1118 CA ALA B 11 -5.928 -3.821 4.021 1.00 0.00 C ATOM 1119 C ALA B 11 -6.582 -4.957 4.805 1.00 0.00 C ATOM 1120 O ALA B 11 -7.526 -5.577 4.354 1.00 0.00 O ATOM 1121 CB ALA B 11 -6.857 -2.606 3.990 1.00 0.00 C ATOM 0 H ALA B 11 -6.420 -4.198 1.980 1.00 0.00 H new ATOM 0 HA ALA B 11 -4.994 -3.549 4.513 1.00 0.00 H new ATOM 0 HB1 ALA B 11 -7.070 -2.285 5.010 1.00 0.00 H new ATOM 0 HB2 ALA B 11 -6.375 -1.793 3.447 1.00 0.00 H new ATOM 0 HB3 ALA B 11 -7.789 -2.873 3.491 1.00 0.00 H new ATOM 1127 N ILE B 12 -6.077 -5.225 5.983 1.00 0.00 N ATOM 1128 CA ILE B 12 -6.645 -6.310 6.834 1.00 0.00 C ATOM 1129 C ILE B 12 -6.568 -5.883 8.303 1.00 0.00 C ATOM 1130 O ILE B 12 -5.579 -5.326 8.745 1.00 0.00 O ATOM 1131 CB ILE B 12 -5.832 -7.603 6.634 1.00 0.00 C ATOM 1132 CG1 ILE B 12 -5.866 -8.026 5.157 1.00 0.00 C ATOM 1133 CG2 ILE B 12 -6.412 -8.727 7.499 1.00 0.00 C ATOM 1134 CD1 ILE B 12 -7.293 -8.403 4.749 1.00 0.00 C ATOM 0 H ILE B 12 -5.285 -4.731 6.394 1.00 0.00 H new ATOM 0 HA ILE B 12 -7.683 -6.491 6.554 1.00 0.00 H new ATOM 0 HB ILE B 12 -4.800 -7.415 6.930 1.00 0.00 H new ATOM 0 HG12 ILE B 12 -5.503 -7.212 4.529 1.00 0.00 H new ATOM 0 HG13 ILE B 12 -5.198 -8.873 4.998 1.00 0.00 H new ATOM 0 HG21 ILE B 12 -5.831 -9.637 7.351 1.00 0.00 H new ATOM 0 HG22 ILE B 12 -6.370 -8.437 8.549 1.00 0.00 H new ATOM 0 HG23 ILE B 12 -7.448 -8.908 7.214 1.00 0.00 H new ATOM 0 HD11 ILE B 12 -7.305 -8.701 3.701 1.00 0.00 H new ATOM 0 HD12 ILE B 12 -7.641 -9.232 5.366 1.00 0.00 H new ATOM 0 HD13 ILE B 12 -7.950 -7.545 4.890 1.00 0.00 H new ATOM 1146 N VAL B 13 -7.601 -6.152 9.063 1.00 0.00 N ATOM 1147 CA VAL B 13 -7.593 -5.778 10.506 1.00 0.00 C ATOM 1148 C VAL B 13 -6.892 -6.886 11.290 1.00 0.00 C ATOM 1149 O VAL B 13 -7.191 -8.055 11.126 1.00 0.00 O ATOM 1150 CB VAL B 13 -9.031 -5.616 11.018 1.00 0.00 C ATOM 1151 CG1 VAL B 13 -9.012 -4.919 12.381 1.00 0.00 C ATOM 1152 CG2 VAL B 13 -9.845 -4.773 10.030 1.00 0.00 C ATOM 0 H VAL B 13 -8.451 -6.616 8.742 1.00 0.00 H new ATOM 0 HA VAL B 13 -7.068 -4.832 10.638 1.00 0.00 H new ATOM 0 HB VAL B 13 -9.489 -6.601 11.114 1.00 0.00 H new ATOM 0 HG11 VAL B 13 -10.033 -4.804 12.745 1.00 0.00 H new ATOM 0 HG12 VAL B 13 -8.440 -5.519 13.089 1.00 0.00 H new ATOM 0 HG13 VAL B 13 -8.549 -3.937 12.281 1.00 0.00 H new ATOM 0 HG21 VAL B 13 -10.864 -4.662 10.400 1.00 0.00 H new ATOM 0 HG22 VAL B 13 -9.387 -3.789 9.928 1.00 0.00 H new ATOM 0 HG23 VAL B 13 -9.863 -5.267 9.059 1.00 0.00 H new ATOM 1162 N VAL B 14 -5.957 -6.530 12.132 1.00 0.00 N ATOM 1163 CA VAL B 14 -5.226 -7.561 12.927 1.00 0.00 C ATOM 1164 C VAL B 14 -5.247 -7.185 14.414 1.00 0.00 C ATOM 1165 O VAL B 14 -5.260 -6.022 14.772 1.00 0.00 O ATOM 1166 CB VAL B 14 -3.772 -7.668 12.436 1.00 0.00 C ATOM 1167 CG1 VAL B 14 -3.753 -8.198 10.999 1.00 0.00 C ATOM 1168 CG2 VAL B 14 -3.099 -6.292 12.476 1.00 0.00 C ATOM 0 H VAL B 14 -5.668 -5.567 12.304 1.00 0.00 H new ATOM 0 HA VAL B 14 -5.718 -8.525 12.796 1.00 0.00 H new ATOM 0 HB VAL B 14 -3.229 -8.352 13.088 1.00 0.00 H new ATOM 0 HG11 VAL B 14 -2.722 -8.273 10.653 1.00 0.00 H new ATOM 0 HG12 VAL B 14 -4.219 -9.183 10.968 1.00 0.00 H new ATOM 0 HG13 VAL B 14 -4.304 -7.516 10.352 1.00 0.00 H new ATOM 0 HG21 VAL B 14 -2.070 -6.380 12.126 1.00 0.00 H new ATOM 0 HG22 VAL B 14 -3.644 -5.602 11.832 1.00 0.00 H new ATOM 0 HG23 VAL B 14 -3.104 -5.914 13.498 1.00 0.00 H new ATOM 1178 N LYS B 15 -5.245 -8.170 15.278 1.00 0.00 N ATOM 1179 CA LYS B 15 -5.260 -7.898 16.748 1.00 0.00 C ATOM 1180 C LYS B 15 -3.869 -8.156 17.333 1.00 0.00 C ATOM 1181 O LYS B 15 -3.011 -8.743 16.696 1.00 0.00 O ATOM 1182 CB LYS B 15 -6.288 -8.810 17.432 1.00 0.00 C ATOM 1183 CG LYS B 15 -5.827 -10.272 17.358 1.00 0.00 C ATOM 1184 CD LYS B 15 -7.047 -11.195 17.292 1.00 0.00 C ATOM 1185 CE LYS B 15 -7.451 -11.410 15.831 1.00 0.00 C ATOM 1186 NZ LYS B 15 -8.021 -12.778 15.665 1.00 0.00 N ATOM 0 H LYS B 15 -5.234 -9.158 15.025 1.00 0.00 H new ATOM 0 HA LYS B 15 -5.534 -6.857 16.919 1.00 0.00 H new ATOM 0 HB2 LYS B 15 -6.414 -8.512 18.473 1.00 0.00 H new ATOM 0 HB3 LYS B 15 -7.260 -8.702 16.950 1.00 0.00 H new ATOM 0 HG2 LYS B 15 -5.198 -10.421 16.480 1.00 0.00 H new ATOM 0 HG3 LYS B 15 -5.220 -10.517 18.230 1.00 0.00 H new ATOM 0 HD2 LYS B 15 -6.817 -12.152 17.761 1.00 0.00 H new ATOM 0 HD3 LYS B 15 -7.876 -10.758 17.849 1.00 0.00 H new ATOM 0 HE2 LYS B 15 -8.184 -10.661 15.532 1.00 0.00 H new ATOM 0 HE3 LYS B 15 -6.585 -11.285 15.182 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 -8.200 -12.959 14.657 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 -7.347 -13.481 16.029 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 -8.914 -12.849 16.194 1.00 0.00 H new ATOM 1200 N ASP B 16 -3.647 -7.712 18.541 1.00 0.00 N ATOM 1201 CA ASP B 16 -2.321 -7.910 19.194 1.00 0.00 C ATOM 1202 C ASP B 16 -2.452 -7.695 20.707 1.00 0.00 C ATOM 1203 O ASP B 16 -3.428 -7.138 21.182 1.00 0.00 O ATOM 1204 CB ASP B 16 -1.320 -6.899 18.615 1.00 0.00 C ATOM 1205 CG ASP B 16 0.106 -7.264 19.038 1.00 0.00 C ATOM 1206 OD1 ASP B 16 0.646 -8.209 18.485 1.00 0.00 O ATOM 1207 OD2 ASP B 16 0.637 -6.589 19.908 1.00 0.00 O ATOM 0 H ASP B 16 -4.334 -7.216 19.108 1.00 0.00 H new ATOM 0 HA ASP B 16 -1.969 -8.925 19.007 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -1.392 -6.887 17.527 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -1.564 -5.895 18.962 1.00 0.00 H new ATOM 1212 N GLN B 17 -1.469 -8.132 21.460 1.00 0.00 N ATOM 1213 CA GLN B 17 -1.497 -7.962 22.945 1.00 0.00 C ATOM 1214 C GLN B 17 -1.808 -6.510 23.290 1.00 0.00 C ATOM 1215 O GLN B 17 -2.582 -6.226 24.186 1.00 0.00 O ATOM 1216 CB GLN B 17 -0.128 -8.327 23.521 1.00 0.00 C ATOM 1217 CG GLN B 17 -0.223 -9.652 24.281 1.00 0.00 C ATOM 1218 CD GLN B 17 1.184 -10.138 24.642 1.00 0.00 C ATOM 1219 OE1 GLN B 17 1.624 -9.980 25.764 1.00 0.00 O ATOM 1220 NE2 GLN B 17 1.913 -10.726 23.732 1.00 0.00 N ATOM 0 H GLN B 17 -0.639 -8.605 21.102 1.00 0.00 H new ATOM 0 HA GLN B 17 -2.264 -8.611 23.367 1.00 0.00 H new ATOM 0 HB2 GLN B 17 0.605 -8.409 22.718 1.00 0.00 H new ATOM 0 HB3 GLN B 17 0.218 -7.538 24.189 1.00 0.00 H new ATOM 0 HG2 GLN B 17 -0.817 -9.522 25.185 1.00 0.00 H new ATOM 0 HG3 GLN B 17 -0.731 -10.398 23.670 1.00 0.00 H new ATOM 0 HE21 GLN B 17 1.544 -10.859 22.790 1.00 0.00 H new ATOM 0 HE22 GLN B 17 2.851 -11.053 23.963 1.00 0.00 H new ATOM 1229 N ASN B 18 -1.203 -5.594 22.582 1.00 0.00 N ATOM 1230 CA ASN B 18 -1.443 -4.151 22.849 1.00 0.00 C ATOM 1231 C ASN B 18 -2.907 -3.798 22.559 1.00 0.00 C ATOM 1232 O ASN B 18 -3.584 -3.242 23.403 1.00 0.00 O ATOM 1233 CB ASN B 18 -0.524 -3.303 21.967 1.00 0.00 C ATOM 1234 CG ASN B 18 0.899 -3.326 22.532 1.00 0.00 C ATOM 1235 OD1 ASN B 18 1.249 -2.509 23.360 1.00 0.00 O ATOM 1236 ND2 ASN B 18 1.741 -4.234 22.116 1.00 0.00 N ATOM 0 H ASN B 18 -0.548 -5.788 21.825 1.00 0.00 H new ATOM 0 HA ASN B 18 -1.229 -3.945 23.898 1.00 0.00 H new ATOM 0 HB2 ASN B 18 -0.527 -3.687 20.947 1.00 0.00 H new ATOM 0 HB3 ASN B 18 -0.891 -2.278 21.922 1.00 0.00 H new ATOM 0 HD21 ASN B 18 2.691 -4.256 22.486 1.00 0.00 H new ATOM 0 HD22 ASN B 18 1.448 -4.921 21.421 1.00 0.00 H new ATOM 1243 N GLU B 19 -3.400 -4.116 21.375 1.00 0.00 N ATOM 1244 CA GLU B 19 -4.821 -3.796 21.028 1.00 0.00 C ATOM 1245 C GLU B 19 -5.077 -4.120 19.546 1.00 0.00 C ATOM 1246 O GLU B 19 -4.318 -4.836 18.914 1.00 0.00 O ATOM 1247 CB GLU B 19 -5.095 -2.302 21.284 1.00 0.00 C ATOM 1248 CG GLU B 19 -4.051 -1.445 20.557 1.00 0.00 C ATOM 1249 CD GLU B 19 -4.642 -0.067 20.246 1.00 0.00 C ATOM 1250 OE1 GLU B 19 -5.321 0.051 19.239 1.00 0.00 O ATOM 1251 OE2 GLU B 19 -4.404 0.850 21.017 1.00 0.00 O ATOM 0 H GLU B 19 -2.873 -4.584 20.637 1.00 0.00 H new ATOM 0 HA GLU B 19 -5.486 -4.396 21.650 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -6.095 -2.043 20.938 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -5.065 -2.096 22.354 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -3.160 -1.338 21.175 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -3.742 -1.936 19.634 1.00 0.00 H new ATOM 1258 N GLU B 20 -6.143 -3.593 18.994 1.00 0.00 N ATOM 1259 CA GLU B 20 -6.473 -3.846 17.559 1.00 0.00 C ATOM 1260 C GLU B 20 -5.676 -2.887 16.668 1.00 0.00 C ATOM 1261 O GLU B 20 -5.562 -1.709 16.956 1.00 0.00 O ATOM 1262 CB GLU B 20 -7.969 -3.618 17.338 1.00 0.00 C ATOM 1263 CG GLU B 20 -8.451 -4.448 16.144 1.00 0.00 C ATOM 1264 CD GLU B 20 -9.837 -3.961 15.708 1.00 0.00 C ATOM 1265 OE1 GLU B 20 -10.809 -4.371 16.322 1.00 0.00 O ATOM 1266 OE2 GLU B 20 -9.905 -3.188 14.767 1.00 0.00 O ATOM 0 H GLU B 20 -6.805 -2.991 19.484 1.00 0.00 H new ATOM 0 HA GLU B 20 -6.215 -4.874 17.304 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -8.525 -3.896 18.234 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -8.162 -2.560 17.159 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -7.746 -4.359 15.317 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -8.493 -5.503 16.414 1.00 0.00 H new ATOM 1273 N LYS B 21 -5.135 -3.385 15.582 1.00 0.00 N ATOM 1274 CA LYS B 21 -4.350 -2.514 14.654 1.00 0.00 C ATOM 1275 C LYS B 21 -4.702 -2.851 13.200 1.00 0.00 C ATOM 1276 O LYS B 21 -4.896 -4.000 12.848 1.00 0.00 O ATOM 1277 CB LYS B 21 -2.839 -2.705 14.866 1.00 0.00 C ATOM 1278 CG LYS B 21 -2.520 -4.147 15.278 1.00 0.00 C ATOM 1279 CD LYS B 21 -2.258 -4.206 16.783 1.00 0.00 C ATOM 1280 CE LYS B 21 -0.915 -3.546 17.107 1.00 0.00 C ATOM 1281 NZ LYS B 21 -0.894 -3.142 18.542 1.00 0.00 N ATOM 0 H LYS B 21 -5.204 -4.362 15.298 1.00 0.00 H new ATOM 0 HA LYS B 21 -4.606 -1.476 14.867 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -2.305 -2.459 13.948 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -2.486 -2.017 15.634 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -3.351 -4.802 15.018 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -1.648 -4.507 14.733 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -3.060 -3.700 17.320 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -2.254 -5.243 17.119 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -0.098 -4.238 16.901 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -0.763 -2.674 16.470 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 0.050 -3.323 18.940 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -1.114 -2.129 18.621 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -1.603 -3.692 19.068 1.00 0.00 H new ATOM 1295 N ILE B 22 -4.771 -1.852 12.357 1.00 0.00 N ATOM 1296 CA ILE B 22 -5.091 -2.087 10.919 1.00 0.00 C ATOM 1297 C ILE B 22 -3.781 -2.271 10.147 1.00 0.00 C ATOM 1298 O ILE B 22 -2.894 -1.440 10.213 1.00 0.00 O ATOM 1299 CB ILE B 22 -5.860 -0.887 10.351 1.00 0.00 C ATOM 1300 CG1 ILE B 22 -7.256 -0.815 10.988 1.00 0.00 C ATOM 1301 CG2 ILE B 22 -5.991 -1.033 8.830 1.00 0.00 C ATOM 1302 CD1 ILE B 22 -8.108 -2.006 10.537 1.00 0.00 C ATOM 0 H ILE B 22 -4.618 -0.875 12.607 1.00 0.00 H new ATOM 0 HA ILE B 22 -5.710 -2.979 10.821 1.00 0.00 H new ATOM 0 HB ILE B 22 -5.316 0.030 10.579 1.00 0.00 H new ATOM 0 HG12 ILE B 22 -7.168 -0.813 12.074 1.00 0.00 H new ATOM 0 HG13 ILE B 22 -7.744 0.118 10.706 1.00 0.00 H new ATOM 0 HG21 ILE B 22 -6.538 -0.180 8.428 1.00 0.00 H new ATOM 0 HG22 ILE B 22 -4.998 -1.072 8.381 1.00 0.00 H new ATOM 0 HG23 ILE B 22 -6.530 -1.951 8.598 1.00 0.00 H new ATOM 0 HD11 ILE B 22 -9.095 -1.942 10.996 1.00 0.00 H new ATOM 0 HD12 ILE B 22 -8.211 -1.990 9.452 1.00 0.00 H new ATOM 0 HD13 ILE B 22 -7.625 -2.935 10.842 1.00 0.00 H new ATOM 1314 N LEU B 23 -3.655 -3.353 9.424 1.00 0.00 N ATOM 1315 CA LEU B 23 -2.401 -3.599 8.655 1.00 0.00 C ATOM 1316 C LEU B 23 -2.659 -3.429 7.155 1.00 0.00 C ATOM 1317 O LEU B 23 -3.475 -4.118 6.570 1.00 0.00 O ATOM 1318 CB LEU B 23 -1.897 -5.017 8.942 1.00 0.00 C ATOM 1319 CG LEU B 23 -0.557 -4.952 9.685 1.00 0.00 C ATOM 1320 CD1 LEU B 23 -0.663 -3.997 10.875 1.00 0.00 C ATOM 1321 CD2 LEU B 23 -0.194 -6.347 10.194 1.00 0.00 C ATOM 0 H LEU B 23 -4.368 -4.077 9.333 1.00 0.00 H new ATOM 0 HA LEU B 23 -1.645 -2.877 8.962 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -2.629 -5.559 9.541 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -1.779 -5.567 8.008 1.00 0.00 H new ATOM 0 HG LEU B 23 0.212 -4.592 9.002 1.00 0.00 H new ATOM 0 HD11 LEU B 23 0.293 -3.958 11.396 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -0.924 -3.000 10.519 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -1.434 -4.352 11.559 1.00 0.00 H new ATOM 0 HD21 LEU B 23 0.758 -6.305 10.723 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -0.971 -6.700 10.872 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -0.110 -7.032 9.350 1.00 0.00 H new ATOM 1333 N LEU B 24 -1.955 -2.510 6.537 1.00 0.00 N ATOM 1334 CA LEU B 24 -2.126 -2.269 5.075 1.00 0.00 C ATOM 1335 C LEU B 24 -0.887 -2.783 4.337 1.00 0.00 C ATOM 1336 O LEU B 24 0.217 -2.329 4.573 1.00 0.00 O ATOM 1337 CB LEU B 24 -2.294 -0.766 4.807 1.00 0.00 C ATOM 1338 CG LEU B 24 -3.278 -0.155 5.812 1.00 0.00 C ATOM 1339 CD1 LEU B 24 -3.230 1.371 5.709 1.00 0.00 C ATOM 1340 CD2 LEU B 24 -4.698 -0.642 5.503 1.00 0.00 C ATOM 0 H LEU B 24 -1.264 -1.913 6.991 1.00 0.00 H new ATOM 0 HA LEU B 24 -3.014 -2.794 4.722 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -1.329 -0.266 4.882 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -2.656 -0.609 3.791 1.00 0.00 H new ATOM 0 HG LEU B 24 -3.001 -0.462 6.821 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -3.929 1.806 6.423 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -2.221 1.719 5.931 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -3.505 1.676 4.700 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -5.396 -0.207 6.218 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -4.976 -0.337 4.494 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -4.734 -1.729 5.577 1.00 0.00 H new ATOM 1352 N GLY B 25 -1.067 -3.730 3.451 1.00 0.00 N ATOM 1353 CA GLY B 25 0.087 -4.291 2.689 1.00 0.00 C ATOM 1354 C GLY B 25 -0.411 -4.824 1.347 1.00 0.00 C ATOM 1355 O GLY B 25 -1.314 -5.634 1.297 1.00 0.00 O ATOM 0 H GLY B 25 -1.972 -4.141 3.222 1.00 0.00 H new ATOM 0 HA2 GLY B 25 0.843 -3.522 2.531 1.00 0.00 H new ATOM 0 HA3 GLY B 25 0.561 -5.091 3.259 1.00 0.00 H new ATOM 1359 N ALA B 26 0.163 -4.362 0.262 1.00 0.00 N ATOM 1360 CA ALA B 26 -0.267 -4.818 -1.094 1.00 0.00 C ATOM 1361 C ALA B 26 -0.241 -6.349 -1.179 1.00 0.00 C ATOM 1362 O ALA B 26 0.802 -6.964 -1.316 1.00 0.00 O ATOM 1363 CB ALA B 26 0.666 -4.232 -2.154 1.00 0.00 C ATOM 0 H ALA B 26 0.921 -3.679 0.261 1.00 0.00 H new ATOM 0 HA ALA B 26 -1.286 -4.473 -1.271 1.00 0.00 H new ATOM 0 HB1 ALA B 26 0.350 -4.566 -3.142 1.00 0.00 H new ATOM 0 HB2 ALA B 26 0.628 -3.144 -2.110 1.00 0.00 H new ATOM 0 HB3 ALA B 26 1.686 -4.568 -1.967 1.00 0.00 H new ATOM 1369 N GLY B 27 -1.398 -6.951 -1.107 1.00 0.00 N ATOM 1370 CA GLY B 27 -1.503 -8.438 -1.192 1.00 0.00 C ATOM 1371 C GLY B 27 -1.470 -9.082 0.202 1.00 0.00 C ATOM 1372 O GLY B 27 -1.374 -10.291 0.315 1.00 0.00 O ATOM 0 H GLY B 27 -2.289 -6.468 -0.991 1.00 0.00 H new ATOM 0 HA2 GLY B 27 -2.429 -8.711 -1.699 1.00 0.00 H new ATOM 0 HA3 GLY B 27 -0.683 -8.828 -1.795 1.00 0.00 H new ATOM 1376 N ILE B 28 -1.554 -8.303 1.261 1.00 0.00 N ATOM 1377 CA ILE B 28 -1.533 -8.883 2.630 1.00 0.00 C ATOM 1378 C ILE B 28 -2.747 -9.807 2.808 1.00 0.00 C ATOM 1379 O ILE B 28 -2.643 -10.862 3.405 1.00 0.00 O ATOM 1380 CB ILE B 28 -1.546 -7.732 3.650 1.00 0.00 C ATOM 1381 CG1 ILE B 28 -0.609 -8.077 4.800 1.00 0.00 C ATOM 1382 CG2 ILE B 28 -2.957 -7.493 4.200 1.00 0.00 C ATOM 1383 CD1 ILE B 28 -0.220 -6.797 5.539 1.00 0.00 C ATOM 0 H ILE B 28 -1.636 -7.287 1.226 1.00 0.00 H new ATOM 0 HA ILE B 28 -0.633 -9.477 2.787 1.00 0.00 H new ATOM 0 HB ILE B 28 -1.216 -6.822 3.149 1.00 0.00 H new ATOM 0 HG12 ILE B 28 -1.096 -8.772 5.485 1.00 0.00 H new ATOM 0 HG13 ILE B 28 0.283 -8.576 4.420 1.00 0.00 H new ATOM 0 HG21 ILE B 28 -2.934 -6.674 4.918 1.00 0.00 H new ATOM 0 HG22 ILE B 28 -3.629 -7.238 3.380 1.00 0.00 H new ATOM 0 HG23 ILE B 28 -3.313 -8.397 4.693 1.00 0.00 H new ATOM 0 HD11 ILE B 28 0.451 -7.042 6.363 1.00 0.00 H new ATOM 0 HD12 ILE B 28 0.283 -6.118 4.851 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -1.116 -6.317 5.932 1.00 0.00 H new ATOM 1395 N ALA B 29 -3.888 -9.429 2.269 1.00 0.00 N ATOM 1396 CA ALA B 29 -5.101 -10.295 2.378 1.00 0.00 C ATOM 1397 C ALA B 29 -4.834 -11.604 1.631 1.00 0.00 C ATOM 1398 O ALA B 29 -5.192 -12.673 2.091 1.00 0.00 O ATOM 1399 CB ALA B 29 -6.304 -9.585 1.755 1.00 0.00 C ATOM 0 H ALA B 29 -4.026 -8.557 1.759 1.00 0.00 H new ATOM 0 HA ALA B 29 -5.317 -10.499 3.427 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -7.185 -10.221 1.838 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -6.484 -8.646 2.279 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -6.101 -9.381 0.704 1.00 0.00 H new ATOM 1405 N PHE B 30 -4.180 -11.522 0.491 1.00 0.00 N ATOM 1406 CA PHE B 30 -3.852 -12.750 -0.282 1.00 0.00 C ATOM 1407 C PHE B 30 -2.783 -13.532 0.485 1.00 0.00 C ATOM 1408 O PHE B 30 -1.915 -12.953 1.115 1.00 0.00 O ATOM 1409 CB PHE B 30 -3.315 -12.361 -1.664 1.00 0.00 C ATOM 1410 CG PHE B 30 -3.374 -13.556 -2.587 1.00 0.00 C ATOM 1411 CD1 PHE B 30 -4.564 -13.866 -3.258 1.00 0.00 C ATOM 1412 CD2 PHE B 30 -2.238 -14.353 -2.773 1.00 0.00 C ATOM 1413 CE1 PHE B 30 -4.617 -14.973 -4.113 1.00 0.00 C ATOM 1414 CE2 PHE B 30 -2.292 -15.461 -3.628 1.00 0.00 C ATOM 1415 CZ PHE B 30 -3.482 -15.770 -4.297 1.00 0.00 C ATOM 0 H PHE B 30 -3.862 -10.650 0.068 1.00 0.00 H new ATOM 0 HA PHE B 30 -4.745 -13.362 -0.410 1.00 0.00 H new ATOM 0 HB2 PHE B 30 -3.904 -11.541 -2.076 1.00 0.00 H new ATOM 0 HB3 PHE B 30 -2.288 -12.005 -1.579 1.00 0.00 H new ATOM 0 HD1 PHE B 30 -5.440 -13.251 -3.116 1.00 0.00 H new ATOM 0 HD2 PHE B 30 -1.320 -14.113 -2.257 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -5.534 -15.212 -4.631 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -1.416 -16.076 -3.771 1.00 0.00 H new ATOM 0 HZ PHE B 30 -3.524 -16.625 -4.956 1.00 0.00 H new ATOM 1425 N ASN B 31 -2.850 -14.839 0.446 1.00 0.00 N ATOM 1426 CA ASN B 31 -1.851 -15.680 1.181 1.00 0.00 C ATOM 1427 C ASN B 31 -2.044 -15.511 2.696 1.00 0.00 C ATOM 1428 O ASN B 31 -1.118 -15.664 3.474 1.00 0.00 O ATOM 1429 CB ASN B 31 -0.432 -15.251 0.782 1.00 0.00 C ATOM 1430 CG ASN B 31 0.557 -16.382 1.078 1.00 0.00 C ATOM 1431 OD1 ASN B 31 1.330 -16.300 2.012 1.00 0.00 O ATOM 1432 ND2 ASN B 31 0.567 -17.443 0.316 1.00 0.00 N ATOM 0 H ASN B 31 -3.558 -15.365 -0.066 1.00 0.00 H new ATOM 0 HA ASN B 31 -1.997 -16.729 0.921 1.00 0.00 H new ATOM 0 HB2 ASN B 31 -0.403 -14.999 -0.278 1.00 0.00 H new ATOM 0 HB3 ASN B 31 -0.146 -14.353 1.331 1.00 0.00 H new ATOM 0 HD21 ASN B 31 1.223 -18.201 0.505 1.00 0.00 H new ATOM 0 HD22 ASN B 31 -0.081 -17.514 -0.468 1.00 0.00 H new ATOM 1439 N LYS B 32 -3.248 -15.203 3.115 1.00 0.00 N ATOM 1440 CA LYS B 32 -3.534 -15.018 4.572 1.00 0.00 C ATOM 1441 C LYS B 32 -4.974 -15.455 4.878 1.00 0.00 C ATOM 1442 O LYS B 32 -5.842 -15.400 4.024 1.00 0.00 O ATOM 1443 CB LYS B 32 -3.365 -13.539 4.941 1.00 0.00 C ATOM 1444 CG LYS B 32 -1.877 -13.202 5.084 1.00 0.00 C ATOM 1445 CD LYS B 32 -1.334 -13.812 6.377 1.00 0.00 C ATOM 1446 CE LYS B 32 -0.028 -14.558 6.092 1.00 0.00 C ATOM 1447 NZ LYS B 32 -0.216 -16.013 6.357 1.00 0.00 N ATOM 0 H LYS B 32 -4.053 -15.071 2.502 1.00 0.00 H new ATOM 0 HA LYS B 32 -2.840 -15.624 5.154 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -3.817 -12.910 4.174 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -3.886 -13.327 5.875 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -1.323 -13.587 4.228 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -1.738 -12.121 5.094 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -1.162 -13.028 7.115 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -2.068 -14.496 6.803 1.00 0.00 H new ATOM 0 HE2 LYS B 32 0.273 -14.403 5.056 1.00 0.00 H new ATOM 0 HE3 LYS B 32 0.772 -14.164 6.719 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 0.711 -16.463 6.497 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -0.794 -16.138 7.212 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -0.696 -16.454 5.547 1.00 0.00 H new ATOM 1461 N LYS B 33 -5.232 -15.882 6.094 1.00 0.00 N ATOM 1462 CA LYS B 33 -6.612 -16.319 6.469 1.00 0.00 C ATOM 1463 C LYS B 33 -6.822 -16.152 7.982 1.00 0.00 C ATOM 1464 O LYS B 33 -5.892 -15.894 8.722 1.00 0.00 O ATOM 1465 CB LYS B 33 -6.818 -17.788 6.074 1.00 0.00 C ATOM 1466 CG LYS B 33 -5.781 -18.669 6.777 1.00 0.00 C ATOM 1467 CD LYS B 33 -6.039 -20.139 6.436 1.00 0.00 C ATOM 1468 CE LYS B 33 -6.422 -20.902 7.707 1.00 0.00 C ATOM 1469 NZ LYS B 33 -6.311 -22.368 7.463 1.00 0.00 N ATOM 0 H LYS B 33 -4.542 -15.946 6.843 1.00 0.00 H new ATOM 0 HA LYS B 33 -7.337 -15.701 5.939 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -7.824 -18.109 6.345 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -6.729 -17.899 4.993 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -4.776 -18.384 6.466 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -5.834 -18.521 7.856 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -6.838 -20.217 5.698 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -5.148 -20.581 5.989 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -5.769 -20.610 8.529 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -7.440 -20.648 8.003 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -6.571 -22.884 8.327 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -6.951 -22.641 6.690 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -5.332 -22.603 7.201 1.00 0.00 H new ATOM 1483 N LYS B 34 -8.045 -16.292 8.436 1.00 0.00 N ATOM 1484 CA LYS B 34 -8.350 -16.139 9.894 1.00 0.00 C ATOM 1485 C LYS B 34 -7.472 -17.075 10.729 1.00 0.00 C ATOM 1486 O LYS B 34 -7.346 -18.254 10.444 1.00 0.00 O ATOM 1487 CB LYS B 34 -9.831 -16.461 10.137 1.00 0.00 C ATOM 1488 CG LYS B 34 -10.185 -16.230 11.610 1.00 0.00 C ATOM 1489 CD LYS B 34 -10.251 -14.729 11.899 1.00 0.00 C ATOM 1490 CE LYS B 34 -10.645 -14.502 13.362 1.00 0.00 C ATOM 1491 NZ LYS B 34 -12.117 -14.692 13.521 1.00 0.00 N ATOM 0 H LYS B 34 -8.853 -16.508 7.852 1.00 0.00 H new ATOM 0 HA LYS B 34 -8.141 -15.112 10.194 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -10.457 -15.834 9.502 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -10.036 -17.496 9.864 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -11.143 -16.696 11.841 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -9.439 -16.700 12.251 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -9.285 -14.267 11.697 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -10.976 -14.253 11.239 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -10.107 -15.198 14.006 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -10.363 -13.496 13.673 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -12.394 -14.455 14.495 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -12.621 -14.071 12.857 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -12.363 -15.683 13.322 1.00 0.00 H new ATOM 1505 N ASN B 35 -6.874 -16.532 11.763 1.00 0.00 N ATOM 1506 CA ASN B 35 -5.993 -17.325 12.676 1.00 0.00 C ATOM 1507 C ASN B 35 -4.654 -17.672 11.998 1.00 0.00 C ATOM 1508 O ASN B 35 -3.873 -18.443 12.529 1.00 0.00 O ATOM 1509 CB ASN B 35 -6.711 -18.613 13.103 1.00 0.00 C ATOM 1510 CG ASN B 35 -6.870 -18.633 14.626 1.00 0.00 C ATOM 1511 OD1 ASN B 35 -6.266 -19.444 15.300 1.00 0.00 O ATOM 1512 ND2 ASN B 35 -7.662 -17.768 15.202 1.00 0.00 N ATOM 0 H ASN B 35 -6.963 -15.548 12.017 1.00 0.00 H new ATOM 0 HA ASN B 35 -5.780 -16.717 13.555 1.00 0.00 H new ATOM 0 HB2 ASN B 35 -7.689 -18.672 12.625 1.00 0.00 H new ATOM 0 HB3 ASN B 35 -6.143 -19.484 12.775 1.00 0.00 H new ATOM 0 HD21 ASN B 35 -7.773 -17.774 16.216 1.00 0.00 H new ATOM 0 HD22 ASN B 35 -8.170 -17.087 14.638 1.00 0.00 H new ATOM 1519 N ASP B 36 -4.372 -17.108 10.843 1.00 0.00 N ATOM 1520 CA ASP B 36 -3.079 -17.403 10.153 1.00 0.00 C ATOM 1521 C ASP B 36 -2.045 -16.306 10.457 1.00 0.00 C ATOM 1522 O ASP B 36 -0.903 -16.408 10.045 1.00 0.00 O ATOM 1523 CB ASP B 36 -3.312 -17.464 8.640 1.00 0.00 C ATOM 1524 CG ASP B 36 -2.663 -18.729 8.068 1.00 0.00 C ATOM 1525 OD1 ASP B 36 -3.245 -19.792 8.219 1.00 0.00 O ATOM 1526 OD2 ASP B 36 -1.596 -18.613 7.488 1.00 0.00 O ATOM 0 H ASP B 36 -4.984 -16.457 10.352 1.00 0.00 H new ATOM 0 HA ASP B 36 -2.701 -18.359 10.514 1.00 0.00 H new ATOM 0 HB2 ASP B 36 -4.381 -17.464 8.427 1.00 0.00 H new ATOM 0 HB3 ASP B 36 -2.891 -16.580 8.162 1.00 0.00 H new ATOM 1531 N ILE B 37 -2.438 -15.260 11.165 1.00 0.00 N ATOM 1532 CA ILE B 37 -1.497 -14.144 11.494 1.00 0.00 C ATOM 1533 C ILE B 37 -1.122 -13.394 10.209 1.00 0.00 C ATOM 1534 O ILE B 37 -1.067 -13.967 9.138 1.00 0.00 O ATOM 1535 CB ILE B 37 -0.237 -14.698 12.164 1.00 0.00 C ATOM 1536 CG1 ILE B 37 -0.637 -15.568 13.364 1.00 0.00 C ATOM 1537 CG2 ILE B 37 0.642 -13.537 12.636 1.00 0.00 C ATOM 1538 CD1 ILE B 37 0.613 -16.162 14.016 1.00 0.00 C ATOM 0 H ILE B 37 -3.383 -15.139 11.529 1.00 0.00 H new ATOM 0 HA ILE B 37 -1.985 -13.455 12.184 1.00 0.00 H new ATOM 0 HB ILE B 37 0.321 -15.304 11.450 1.00 0.00 H new ATOM 0 HG12 ILE B 37 -1.187 -14.970 14.090 1.00 0.00 H new ATOM 0 HG13 ILE B 37 -1.303 -16.367 13.039 1.00 0.00 H new ATOM 0 HG21 ILE B 37 1.539 -13.931 13.113 1.00 0.00 H new ATOM 0 HG22 ILE B 37 0.925 -12.924 11.780 1.00 0.00 H new ATOM 0 HG23 ILE B 37 0.088 -12.929 13.351 1.00 0.00 H new ATOM 0 HD11 ILE B 37 0.322 -16.778 14.867 1.00 0.00 H new ATOM 0 HD12 ILE B 37 1.146 -16.775 13.289 1.00 0.00 H new ATOM 0 HD13 ILE B 37 1.263 -15.356 14.357 1.00 0.00 H new ATOM 1550 N VAL B 38 -0.873 -12.114 10.313 1.00 0.00 N ATOM 1551 CA VAL B 38 -0.513 -11.314 9.106 1.00 0.00 C ATOM 1552 C VAL B 38 0.964 -11.515 8.755 1.00 0.00 C ATOM 1553 O VAL B 38 1.828 -11.517 9.617 1.00 0.00 O ATOM 1554 CB VAL B 38 -0.780 -9.823 9.364 1.00 0.00 C ATOM 1555 CG1 VAL B 38 0.120 -9.314 10.492 1.00 0.00 C ATOM 1556 CG2 VAL B 38 -0.481 -9.024 8.093 1.00 0.00 C ATOM 0 H VAL B 38 -0.904 -11.587 11.186 1.00 0.00 H new ATOM 0 HA VAL B 38 -1.127 -11.652 8.271 1.00 0.00 H new ATOM 0 HB VAL B 38 -1.825 -9.697 9.649 1.00 0.00 H new ATOM 0 HG11 VAL B 38 -0.078 -8.256 10.666 1.00 0.00 H new ATOM 0 HG12 VAL B 38 -0.085 -9.876 11.403 1.00 0.00 H new ATOM 0 HG13 VAL B 38 1.165 -9.446 10.212 1.00 0.00 H new ATOM 0 HG21 VAL B 38 -0.670 -7.966 8.275 1.00 0.00 H new ATOM 0 HG22 VAL B 38 0.563 -9.163 7.813 1.00 0.00 H new ATOM 0 HG23 VAL B 38 -1.123 -9.373 7.284 1.00 0.00 H new ATOM 1566 N ASP B 39 1.253 -11.661 7.487 1.00 0.00 N ATOM 1567 CA ASP B 39 2.663 -11.835 7.043 1.00 0.00 C ATOM 1568 C ASP B 39 3.379 -10.484 7.181 1.00 0.00 C ATOM 1569 O ASP B 39 2.871 -9.476 6.726 1.00 0.00 O ATOM 1570 CB ASP B 39 2.687 -12.290 5.579 1.00 0.00 C ATOM 1571 CG ASP B 39 4.106 -12.715 5.187 1.00 0.00 C ATOM 1572 OD1 ASP B 39 4.472 -13.840 5.486 1.00 0.00 O ATOM 1573 OD2 ASP B 39 4.801 -11.909 4.593 1.00 0.00 O ATOM 0 H ASP B 39 0.563 -11.667 6.736 1.00 0.00 H new ATOM 0 HA ASP B 39 3.163 -12.588 7.652 1.00 0.00 H new ATOM 0 HB2 ASP B 39 1.997 -13.121 5.436 1.00 0.00 H new ATOM 0 HB3 ASP B 39 2.349 -11.480 4.932 1.00 0.00 H new ATOM 1578 N PRO B 40 4.530 -10.499 7.814 1.00 0.00 N ATOM 1579 CA PRO B 40 5.325 -9.275 8.041 1.00 0.00 C ATOM 1580 C PRO B 40 5.953 -8.774 6.737 1.00 0.00 C ATOM 1581 O PRO B 40 6.036 -7.581 6.509 1.00 0.00 O ATOM 1582 CB PRO B 40 6.385 -9.711 9.053 1.00 0.00 C ATOM 1583 CG PRO B 40 6.491 -11.248 8.935 1.00 0.00 C ATOM 1584 CD PRO B 40 5.153 -11.730 8.343 1.00 0.00 C ATOM 0 HA PRO B 40 4.726 -8.441 8.405 1.00 0.00 H new ATOM 0 HB2 PRO B 40 7.344 -9.238 8.840 1.00 0.00 H new ATOM 0 HB3 PRO B 40 6.102 -9.417 10.064 1.00 0.00 H new ATOM 0 HG2 PRO B 40 7.325 -11.532 8.293 1.00 0.00 H new ATOM 0 HG3 PRO B 40 6.671 -11.701 9.910 1.00 0.00 H new ATOM 0 HD2 PRO B 40 5.308 -12.468 7.556 1.00 0.00 H new ATOM 0 HD3 PRO B 40 4.527 -12.199 9.102 1.00 0.00 H new ATOM 1592 N SER B 41 6.374 -9.671 5.871 1.00 0.00 N ATOM 1593 CA SER B 41 6.967 -9.236 4.571 1.00 0.00 C ATOM 1594 C SER B 41 5.907 -8.452 3.783 1.00 0.00 C ATOM 1595 O SER B 41 6.226 -7.583 2.992 1.00 0.00 O ATOM 1596 CB SER B 41 7.407 -10.462 3.765 1.00 0.00 C ATOM 1597 OG SER B 41 8.524 -10.117 2.956 1.00 0.00 O ATOM 0 H SER B 41 6.331 -10.680 6.012 1.00 0.00 H new ATOM 0 HA SER B 41 7.836 -8.604 4.754 1.00 0.00 H new ATOM 0 HB2 SER B 41 7.669 -11.279 4.438 1.00 0.00 H new ATOM 0 HB3 SER B 41 6.586 -10.814 3.140 1.00 0.00 H new ATOM 0 HG SER B 41 8.809 -10.900 2.440 1.00 0.00 H new ATOM 1603 N LYS B 42 4.646 -8.754 4.010 1.00 0.00 N ATOM 1604 CA LYS B 42 3.545 -8.039 3.303 1.00 0.00 C ATOM 1605 C LYS B 42 3.134 -6.788 4.099 1.00 0.00 C ATOM 1606 O LYS B 42 2.615 -5.843 3.534 1.00 0.00 O ATOM 1607 CB LYS B 42 2.342 -8.977 3.152 1.00 0.00 C ATOM 1608 CG LYS B 42 2.747 -10.192 2.311 1.00 0.00 C ATOM 1609 CD LYS B 42 1.511 -10.793 1.633 1.00 0.00 C ATOM 1610 CE LYS B 42 1.020 -12.004 2.430 1.00 0.00 C ATOM 1611 NZ LYS B 42 1.948 -13.155 2.227 1.00 0.00 N ATOM 0 H LYS B 42 4.336 -9.474 4.663 1.00 0.00 H new ATOM 0 HA LYS B 42 3.891 -7.731 2.316 1.00 0.00 H new ATOM 0 HB2 LYS B 42 1.993 -9.300 4.133 1.00 0.00 H new ATOM 0 HB3 LYS B 42 1.514 -8.451 2.676 1.00 0.00 H new ATOM 0 HG2 LYS B 42 3.478 -9.897 1.558 1.00 0.00 H new ATOM 0 HG3 LYS B 42 3.225 -10.940 2.944 1.00 0.00 H new ATOM 0 HD2 LYS B 42 0.721 -10.045 1.567 1.00 0.00 H new ATOM 0 HD3 LYS B 42 1.753 -11.091 0.613 1.00 0.00 H new ATOM 0 HE2 LYS B 42 0.963 -11.754 3.489 1.00 0.00 H new ATOM 0 HE3 LYS B 42 0.014 -12.276 2.112 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 1.497 -14.028 2.567 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 2.168 -13.250 1.215 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 2.827 -12.990 2.758 1.00 0.00 H new ATOM 1625 N ILE B 43 3.367 -6.771 5.399 1.00 0.00 N ATOM 1626 CA ILE B 43 2.998 -5.575 6.228 1.00 0.00 C ATOM 1627 C ILE B 43 3.705 -4.334 5.672 1.00 0.00 C ATOM 1628 O ILE B 43 4.913 -4.195 5.770 1.00 0.00 O ATOM 1629 CB ILE B 43 3.420 -5.795 7.688 1.00 0.00 C ATOM 1630 CG1 ILE B 43 2.486 -6.819 8.339 1.00 0.00 C ATOM 1631 CG2 ILE B 43 3.329 -4.472 8.458 1.00 0.00 C ATOM 1632 CD1 ILE B 43 3.080 -7.287 9.670 1.00 0.00 C ATOM 0 H ILE B 43 3.797 -7.536 5.918 1.00 0.00 H new ATOM 0 HA ILE B 43 1.918 -5.432 6.189 1.00 0.00 H new ATOM 0 HB ILE B 43 4.446 -6.162 7.714 1.00 0.00 H new ATOM 0 HG12 ILE B 43 1.504 -6.376 8.504 1.00 0.00 H new ATOM 0 HG13 ILE B 43 2.344 -7.671 7.674 1.00 0.00 H new ATOM 0 HG21 ILE B 43 3.629 -4.632 9.494 1.00 0.00 H new ATOM 0 HG22 ILE B 43 3.990 -3.737 7.998 1.00 0.00 H new ATOM 0 HG23 ILE B 43 2.303 -4.105 8.430 1.00 0.00 H new ATOM 0 HD11 ILE B 43 2.413 -8.016 10.130 1.00 0.00 H new ATOM 0 HD12 ILE B 43 4.052 -7.747 9.493 1.00 0.00 H new ATOM 0 HD13 ILE B 43 3.199 -6.432 10.336 1.00 0.00 H new ATOM 1644 N GLU B 44 2.953 -3.437 5.091 1.00 0.00 N ATOM 1645 CA GLU B 44 3.547 -2.193 4.521 1.00 0.00 C ATOM 1646 C GLU B 44 3.256 -1.012 5.455 1.00 0.00 C ATOM 1647 O GLU B 44 4.015 -0.061 5.514 1.00 0.00 O ATOM 1648 CB GLU B 44 2.932 -1.918 3.147 1.00 0.00 C ATOM 1649 CG GLU B 44 3.539 -2.874 2.117 1.00 0.00 C ATOM 1650 CD GLU B 44 3.516 -2.222 0.730 1.00 0.00 C ATOM 1651 OE1 GLU B 44 4.480 -1.554 0.394 1.00 0.00 O ATOM 1652 OE2 GLU B 44 2.534 -2.404 0.027 1.00 0.00 O ATOM 0 H GLU B 44 1.941 -3.515 4.986 1.00 0.00 H new ATOM 0 HA GLU B 44 4.625 -2.319 4.419 1.00 0.00 H new ATOM 0 HB2 GLU B 44 1.851 -2.049 3.188 1.00 0.00 H new ATOM 0 HB3 GLU B 44 3.117 -0.885 2.854 1.00 0.00 H new ATOM 0 HG2 GLU B 44 4.563 -3.122 2.396 1.00 0.00 H new ATOM 0 HG3 GLU B 44 2.978 -3.809 2.099 1.00 0.00 H new ATOM 1659 N LYS B 45 2.163 -1.069 6.182 1.00 0.00 N ATOM 1660 CA LYS B 45 1.813 0.044 7.115 1.00 0.00 C ATOM 1661 C LYS B 45 1.041 -0.508 8.319 1.00 0.00 C ATOM 1662 O LYS B 45 0.132 -1.307 8.172 1.00 0.00 O ATOM 1663 CB LYS B 45 0.950 1.077 6.380 1.00 0.00 C ATOM 1664 CG LYS B 45 1.630 2.448 6.436 1.00 0.00 C ATOM 1665 CD LYS B 45 1.434 3.177 5.103 1.00 0.00 C ATOM 1666 CE LYS B 45 0.100 3.928 5.118 1.00 0.00 C ATOM 1667 NZ LYS B 45 -0.107 4.606 3.807 1.00 0.00 N ATOM 0 H LYS B 45 1.498 -1.843 6.167 1.00 0.00 H new ATOM 0 HA LYS B 45 2.729 0.519 7.466 1.00 0.00 H new ATOM 0 HB2 LYS B 45 0.806 0.774 5.343 1.00 0.00 H new ATOM 0 HB3 LYS B 45 -0.038 1.131 6.837 1.00 0.00 H new ATOM 0 HG2 LYS B 45 1.211 3.039 7.250 1.00 0.00 H new ATOM 0 HG3 LYS B 45 2.693 2.329 6.643 1.00 0.00 H new ATOM 0 HD2 LYS B 45 2.254 3.875 4.935 1.00 0.00 H new ATOM 0 HD3 LYS B 45 1.451 2.462 4.280 1.00 0.00 H new ATOM 0 HE2 LYS B 45 -0.717 3.234 5.313 1.00 0.00 H new ATOM 0 HE3 LYS B 45 0.094 4.662 5.924 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 -0.889 5.286 3.888 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 0.762 5.108 3.535 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 -0.338 3.897 3.082 1.00 0.00 H new ATOM 1681 N THR B 46 1.399 -0.081 9.508 1.00 0.00 N ATOM 1682 CA THR B 46 0.698 -0.566 10.734 1.00 0.00 C ATOM 1683 C THR B 46 -0.075 0.596 11.374 1.00 0.00 C ATOM 1684 O THR B 46 0.500 1.596 11.764 1.00 0.00 O ATOM 1685 CB THR B 46 1.726 -1.121 11.732 1.00 0.00 C ATOM 1686 OG1 THR B 46 2.416 -2.214 11.140 1.00 0.00 O ATOM 1687 CG2 THR B 46 1.012 -1.597 13.001 1.00 0.00 C ATOM 0 H THR B 46 2.151 0.586 9.679 1.00 0.00 H new ATOM 0 HA THR B 46 -0.000 -1.358 10.464 1.00 0.00 H new ATOM 0 HB THR B 46 2.436 -0.336 11.992 1.00 0.00 H new ATOM 0 HG1 THR B 46 3.073 -2.568 11.775 1.00 0.00 H new ATOM 0 HG21 THR B 46 1.745 -1.990 13.705 1.00 0.00 H new ATOM 0 HG22 THR B 46 0.483 -0.760 13.457 1.00 0.00 H new ATOM 0 HG23 THR B 46 0.299 -2.381 12.745 1.00 0.00 H new ATOM 1695 N PHE B 47 -1.375 0.459 11.478 1.00 0.00 N ATOM 1696 CA PHE B 47 -2.218 1.531 12.084 1.00 0.00 C ATOM 1697 C PHE B 47 -2.843 1.022 13.384 1.00 0.00 C ATOM 1698 O PHE B 47 -3.124 -0.149 13.530 1.00 0.00 O ATOM 1699 CB PHE B 47 -3.339 1.908 11.117 1.00 0.00 C ATOM 1700 CG PHE B 47 -2.858 2.951 10.137 1.00 0.00 C ATOM 1701 CD1 PHE B 47 -1.958 2.603 9.123 1.00 0.00 C ATOM 1702 CD2 PHE B 47 -3.322 4.266 10.241 1.00 0.00 C ATOM 1703 CE1 PHE B 47 -1.523 3.573 8.214 1.00 0.00 C ATOM 1704 CE2 PHE B 47 -2.886 5.236 9.334 1.00 0.00 C ATOM 1705 CZ PHE B 47 -1.988 4.890 8.320 1.00 0.00 C ATOM 0 H PHE B 47 -1.892 -0.362 11.164 1.00 0.00 H new ATOM 0 HA PHE B 47 -1.594 2.401 12.289 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -3.677 1.022 10.579 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -4.195 2.289 11.673 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -1.600 1.587 9.043 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -4.018 4.532 11.023 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -0.829 3.307 7.431 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -3.243 6.252 9.416 1.00 0.00 H new ATOM 0 HZ PHE B 47 -1.652 5.639 7.618 1.00 0.00 H new ATOM 1715 N ILE B 48 -3.060 1.903 14.327 1.00 0.00 N ATOM 1716 CA ILE B 48 -3.673 1.494 15.627 1.00 0.00 C ATOM 1717 C ILE B 48 -4.634 2.592 16.098 1.00 0.00 C ATOM 1718 O ILE B 48 -4.319 3.768 16.040 1.00 0.00 O ATOM 1719 CB ILE B 48 -2.578 1.279 16.685 1.00 0.00 C ATOM 1720 CG1 ILE B 48 -1.195 1.274 16.013 1.00 0.00 C ATOM 1721 CG2 ILE B 48 -2.815 -0.058 17.392 1.00 0.00 C ATOM 1722 CD1 ILE B 48 -0.150 0.725 16.977 1.00 0.00 C ATOM 0 H ILE B 48 -2.837 2.895 14.251 1.00 0.00 H new ATOM 0 HA ILE B 48 -4.218 0.560 15.489 1.00 0.00 H new ATOM 0 HB ILE B 48 -2.614 2.089 17.414 1.00 0.00 H new ATOM 0 HG12 ILE B 48 -1.223 0.666 15.109 1.00 0.00 H new ATOM 0 HG13 ILE B 48 -0.926 2.285 15.709 1.00 0.00 H new ATOM 0 HG21 ILE B 48 -2.041 -0.215 18.143 1.00 0.00 H new ATOM 0 HG22 ILE B 48 -3.792 -0.046 17.875 1.00 0.00 H new ATOM 0 HG23 ILE B 48 -2.781 -0.867 16.662 1.00 0.00 H new ATOM 0 HD11 ILE B 48 0.827 0.725 16.493 1.00 0.00 H new ATOM 0 HD12 ILE B 48 -0.113 1.351 17.869 1.00 0.00 H new ATOM 0 HD13 ILE B 48 -0.415 -0.294 17.259 1.00 0.00 H new ATOM 1734 N ARG B 49 -5.808 2.217 16.554 1.00 0.00 N ATOM 1735 CA ARG B 49 -6.797 3.234 17.019 1.00 0.00 C ATOM 1736 C ARG B 49 -6.278 3.927 18.285 1.00 0.00 C ATOM 1737 O ARG B 49 -5.935 3.288 19.265 1.00 0.00 O ATOM 1738 CB ARG B 49 -8.155 2.564 17.298 1.00 0.00 C ATOM 1739 CG ARG B 49 -8.020 1.515 18.408 1.00 0.00 C ATOM 1740 CD ARG B 49 -8.469 0.148 17.885 1.00 0.00 C ATOM 1741 NE ARG B 49 -9.483 -0.433 18.809 1.00 0.00 N ATOM 1742 CZ ARG B 49 -10.722 -0.570 18.416 1.00 0.00 C ATOM 1743 NH1 ARG B 49 -11.524 0.463 18.407 1.00 0.00 N ATOM 1744 NH2 ARG B 49 -11.159 -1.741 18.031 1.00 0.00 N ATOM 0 H ARG B 49 -6.120 1.248 16.623 1.00 0.00 H new ATOM 0 HA ARG B 49 -6.931 3.982 16.237 1.00 0.00 H new ATOM 0 HB2 ARG B 49 -8.886 3.318 17.590 1.00 0.00 H new ATOM 0 HB3 ARG B 49 -8.528 2.093 16.389 1.00 0.00 H new ATOM 0 HG2 ARG B 49 -6.986 1.463 18.748 1.00 0.00 H new ATOM 0 HG3 ARG B 49 -8.625 1.802 19.268 1.00 0.00 H new ATOM 0 HD2 ARG B 49 -8.890 0.251 16.885 1.00 0.00 H new ATOM 0 HD3 ARG B 49 -7.612 -0.520 17.803 1.00 0.00 H new ATOM 0 HE ARG B 49 -9.210 -0.724 19.748 1.00 0.00 H new ATOM 0 HH11 ARG B 49 -11.183 1.376 18.707 1.00 0.00 H new ATOM 0 HH12 ARG B 49 -12.491 0.355 18.100 1.00 0.00 H new ATOM 0 HH21 ARG B 49 -10.533 -2.546 18.038 1.00 0.00 H new ATOM 0 HH22 ARG B 49 -12.126 -1.849 17.724 1.00 0.00 H new