USER MOD reduce.3.24.130724 H: found=0, std=0, add=492, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 490 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 TYR OH : rot 180:sc= -0.542 USER MOD Set 1.2: A 42 ASN : amide:sc= -0.0287 K(o=-0.57,f=-2.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -165:sc= 1.02 (180deg=0.449) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -145:sc= 0.203 (180deg=0.143) USER MOD Single : A 8 HIS : no HD1:sc= -0.511 K(o=-0.51,f=0.12) USER MOD Single : A 13 TYR OH : rot -7:sc= 0.745 USER MOD Single : A 15 HIS : no HD1:sc= -0.116 K(o=-0.12,f=-0.66) USER MOD Single : A 16 GLN : amide:sc= -0.234 K(o=-0.23,f=-5.8!) USER MOD Single : A 18 THR OG1 : rot -77:sc= 0.214 USER MOD Single : A 23 ASN : amide:sc= -0.0561 K(o=-0.056,f=-1.7) USER MOD Single : A 27 THR OG1 : rot -43:sc= 0.329 USER MOD Single : A 28 ASN : amide:sc= 0.617 K(o=0.62,f=-5.8!) USER MOD Single : A 33 SER OG : rot -100:sc= 0.498 USER MOD Single : A 34 CYS SG : rot -172:sc= -5.48! USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00379 USER MOD Single : A 40 MET CE :methyl -108:sc= -0.104 (180deg=-1.08) USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 0:sc= -0.375 USER MOD Single : A 54 LYS NZ :NH3+ 152:sc= 0.472 (180deg=0.145) USER MOD Single : A 56 ASN : amide:sc= -0.606 K(o=-0.61,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -123:sc= 1.3 (180deg=-0.112) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.00029) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.059 2.475 -10.067 1.00 0.00 N ATOM 2 CA MET A 1 4.673 3.902 -9.881 1.00 0.00 C ATOM 3 C MET A 1 4.183 4.170 -8.433 1.00 0.00 C ATOM 4 O MET A 1 3.940 5.326 -8.065 1.00 0.00 O ATOM 5 CB MET A 1 3.586 4.304 -10.915 1.00 0.00 C ATOM 6 CG MET A 1 2.198 3.680 -10.691 1.00 0.00 C ATOM 7 SD MET A 1 2.242 1.875 -10.632 1.00 0.00 S ATOM 8 CE MET A 1 0.521 1.471 -10.359 1.00 0.00 C ATOM 0 H1 MET A 1 5.612 2.376 -10.942 1.00 0.00 H new ATOM 0 H2 MET A 1 5.633 2.162 -9.258 1.00 0.00 H new ATOM 0 H3 MET A 1 4.202 1.889 -10.131 1.00 0.00 H new ATOM 0 HA MET A 1 5.557 4.517 -10.047 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.483 5.389 -10.905 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.934 4.026 -11.910 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.781 4.059 -9.758 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.529 3.996 -11.491 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.406 0.389 -10.302 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.185 1.921 -9.425 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.079 1.857 -11.183 1.00 0.00 H new ATOM 18 N LYS A 2 4.038 3.089 -7.623 1.00 0.00 N ATOM 19 CA LYS A 2 3.564 3.180 -6.226 1.00 0.00 C ATOM 20 C LYS A 2 4.730 3.480 -5.264 1.00 0.00 C ATOM 21 O LYS A 2 5.245 2.598 -4.567 1.00 0.00 O ATOM 22 CB LYS A 2 2.819 1.884 -5.793 1.00 0.00 C ATOM 23 CG LYS A 2 1.551 1.572 -6.613 1.00 0.00 C ATOM 24 CD LYS A 2 0.784 0.350 -6.063 1.00 0.00 C ATOM 25 CE LYS A 2 0.276 0.558 -4.623 1.00 0.00 C ATOM 26 NZ LYS A 2 -0.450 -0.627 -4.109 1.00 0.00 N ATOM 0 H LYS A 2 4.247 2.137 -7.923 1.00 0.00 H new ATOM 0 HA LYS A 2 2.856 4.007 -6.175 1.00 0.00 H new ATOM 0 HB2 LYS A 2 3.505 1.041 -5.874 1.00 0.00 H new ATOM 0 HB3 LYS A 2 2.544 1.972 -4.742 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.895 2.442 -6.609 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.828 1.387 -7.651 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -0.063 0.136 -6.714 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.435 -0.524 -6.090 1.00 0.00 H new ATOM 0 HE2 LYS A 2 1.121 0.776 -3.970 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -0.382 1.426 -4.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.773 -0.442 -3.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.272 -0.821 -4.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.185 -1.451 -4.111 1.00 0.00 H new ATOM 40 N ARG A 3 5.164 4.735 -5.295 1.00 0.00 N ATOM 41 CA ARG A 3 6.106 5.330 -4.327 1.00 0.00 C ATOM 42 C ARG A 3 5.695 6.790 -4.118 1.00 0.00 C ATOM 43 O ARG A 3 4.944 7.341 -4.934 1.00 0.00 O ATOM 44 CB ARG A 3 7.594 5.247 -4.812 1.00 0.00 C ATOM 45 CG ARG A 3 8.252 3.854 -4.728 1.00 0.00 C ATOM 46 CD ARG A 3 8.440 3.380 -3.281 1.00 0.00 C ATOM 47 NE ARG A 3 9.098 2.064 -3.220 1.00 0.00 N ATOM 48 CZ ARG A 3 10.015 1.684 -2.315 1.00 0.00 C ATOM 49 NH1 ARG A 3 10.425 2.520 -1.368 1.00 0.00 N ATOM 50 NH2 ARG A 3 10.516 0.463 -2.363 1.00 0.00 N ATOM 0 H ARG A 3 4.866 5.395 -6.013 1.00 0.00 H new ATOM 0 HA ARG A 3 6.058 4.770 -3.393 1.00 0.00 H new ATOM 0 HB2 ARG A 3 7.638 5.587 -5.847 1.00 0.00 H new ATOM 0 HB3 ARG A 3 8.188 5.945 -4.222 1.00 0.00 H new ATOM 0 HG2 ARG A 3 7.638 3.132 -5.267 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.221 3.883 -5.226 1.00 0.00 H new ATOM 0 HD2 ARG A 3 9.036 4.110 -2.733 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.470 3.325 -2.787 1.00 0.00 H new ATOM 0 HE ARG A 3 8.834 1.380 -3.929 1.00 0.00 H new ATOM 0 HH11 ARG A 3 10.043 3.465 -1.321 1.00 0.00 H new ATOM 0 HH12 ARG A 3 11.122 2.217 -0.687 1.00 0.00 H new ATOM 0 HH21 ARG A 3 10.206 -0.187 -3.085 1.00 0.00 H new ATOM 0 HH22 ARG A 3 11.213 0.170 -1.678 1.00 0.00 H new ATOM 64 N ALA A 4 6.190 7.407 -3.032 1.00 0.00 N ATOM 65 CA ALA A 4 5.882 8.808 -2.695 1.00 0.00 C ATOM 66 C ALA A 4 6.403 9.747 -3.797 1.00 0.00 C ATOM 67 O ALA A 4 5.615 10.420 -4.470 1.00 0.00 O ATOM 68 CB ALA A 4 6.474 9.163 -1.321 1.00 0.00 C ATOM 0 H ALA A 4 6.813 6.951 -2.365 1.00 0.00 H new ATOM 0 HA ALA A 4 4.801 8.935 -2.636 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.241 10.200 -1.081 1.00 0.00 H new ATOM 0 HB2 ALA A 4 6.046 8.510 -0.561 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.556 9.031 -1.346 1.00 0.00 H new ATOM 74 N ALA A 5 7.734 9.718 -4.019 1.00 0.00 N ATOM 75 CA ALA A 5 8.407 10.533 -5.054 1.00 0.00 C ATOM 76 C ALA A 5 7.871 10.204 -6.461 1.00 0.00 C ATOM 77 O ALA A 5 7.659 11.109 -7.265 1.00 0.00 O ATOM 78 CB ALA A 5 9.929 10.324 -4.992 1.00 0.00 C ATOM 0 H ALA A 5 8.373 9.129 -3.486 1.00 0.00 H new ATOM 0 HA ALA A 5 8.189 11.582 -4.853 1.00 0.00 H new ATOM 0 HB1 ALA A 5 10.411 10.930 -5.759 1.00 0.00 H new ATOM 0 HB2 ALA A 5 10.297 10.621 -4.010 1.00 0.00 H new ATOM 0 HB3 ALA A 5 10.159 9.272 -5.163 1.00 0.00 H new ATOM 84 N ALA A 6 7.615 8.899 -6.702 1.00 0.00 N ATOM 85 CA ALA A 6 7.102 8.375 -7.986 1.00 0.00 C ATOM 86 C ALA A 6 5.765 9.017 -8.367 1.00 0.00 C ATOM 87 O ALA A 6 5.572 9.437 -9.516 1.00 0.00 O ATOM 88 CB ALA A 6 6.940 6.853 -7.894 1.00 0.00 C ATOM 0 H ALA A 6 7.761 8.172 -6.002 1.00 0.00 H new ATOM 0 HA ALA A 6 7.824 8.625 -8.763 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.562 6.469 -8.842 1.00 0.00 H new ATOM 0 HB2 ALA A 6 7.906 6.397 -7.677 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.237 6.609 -7.097 1.00 0.00 H new ATOM 94 N LYS A 7 4.860 9.089 -7.376 1.00 0.00 N ATOM 95 CA LYS A 7 3.512 9.650 -7.544 1.00 0.00 C ATOM 96 C LYS A 7 3.600 11.126 -7.946 1.00 0.00 C ATOM 97 O LYS A 7 3.016 11.540 -8.953 1.00 0.00 O ATOM 98 CB LYS A 7 2.715 9.489 -6.224 1.00 0.00 C ATOM 99 CG LYS A 7 1.225 9.884 -6.295 1.00 0.00 C ATOM 100 CD LYS A 7 0.422 8.989 -7.271 1.00 0.00 C ATOM 101 CE LYS A 7 -1.058 9.376 -7.347 1.00 0.00 C ATOM 102 NZ LYS A 7 -1.253 10.740 -7.876 1.00 0.00 N ATOM 0 H LYS A 7 5.046 8.757 -6.430 1.00 0.00 H new ATOM 0 HA LYS A 7 2.993 9.112 -8.337 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.782 8.449 -5.904 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.196 10.092 -5.454 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.786 9.816 -5.300 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.142 10.924 -6.609 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.863 9.057 -8.266 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.506 7.949 -6.956 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.586 8.664 -7.981 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.501 9.307 -6.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.067 11.183 -7.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.399 11.307 -7.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -1.431 10.693 -8.900 1.00 0.00 H new ATOM 116 N HIS A 8 4.396 11.887 -7.167 1.00 0.00 N ATOM 117 CA HIS A 8 4.638 13.326 -7.406 1.00 0.00 C ATOM 118 C HIS A 8 5.206 13.567 -8.809 1.00 0.00 C ATOM 119 O HIS A 8 4.803 14.522 -9.470 1.00 0.00 O ATOM 120 CB HIS A 8 5.589 13.916 -6.323 1.00 0.00 C ATOM 121 CG HIS A 8 4.979 14.034 -4.942 1.00 0.00 C ATOM 122 ND1 HIS A 8 4.954 15.209 -4.223 1.00 0.00 N ATOM 123 CD2 HIS A 8 4.383 13.114 -4.146 1.00 0.00 C ATOM 124 CE1 HIS A 8 4.376 15.001 -3.058 1.00 0.00 C ATOM 125 NE2 HIS A 8 4.019 13.738 -2.991 1.00 0.00 N ATOM 0 H HIS A 8 4.890 11.521 -6.353 1.00 0.00 H new ATOM 0 HA HIS A 8 3.679 13.839 -7.338 1.00 0.00 H new ATOM 0 HB2 HIS A 8 6.479 13.290 -6.260 1.00 0.00 H new ATOM 0 HB3 HIS A 8 5.917 14.904 -6.646 1.00 0.00 H new ATOM 0 HD2 HIS A 8 4.225 12.073 -4.384 1.00 0.00 H new ATOM 0 HE1 HIS A 8 4.222 15.743 -2.288 1.00 0.00 H new ATOM 0 HE2 HIS A 8 3.546 13.297 -2.202 1.00 0.00 H new ATOM 134 N LEU A 9 6.110 12.660 -9.248 1.00 0.00 N ATOM 135 CA LEU A 9 6.781 12.724 -10.565 1.00 0.00 C ATOM 136 C LEU A 9 5.780 12.572 -11.724 1.00 0.00 C ATOM 137 O LEU A 9 5.969 13.179 -12.781 1.00 0.00 O ATOM 138 CB LEU A 9 7.932 11.657 -10.652 1.00 0.00 C ATOM 139 CG LEU A 9 9.389 12.182 -10.435 1.00 0.00 C ATOM 140 CD1 LEU A 9 9.841 13.049 -11.619 1.00 0.00 C ATOM 141 CD2 LEU A 9 9.522 12.951 -9.106 1.00 0.00 C ATOM 0 H LEU A 9 6.396 11.855 -8.691 1.00 0.00 H new ATOM 0 HA LEU A 9 7.229 13.713 -10.663 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.735 10.882 -9.911 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.883 11.182 -11.632 1.00 0.00 H new ATOM 0 HG LEU A 9 10.046 11.314 -10.378 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.857 13.402 -11.444 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.815 12.457 -12.534 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.172 13.904 -11.720 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.548 13.301 -8.989 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.845 13.806 -9.111 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.267 12.291 -8.277 1.00 0.00 H new ATOM 153 N ILE A 10 4.718 11.768 -11.522 1.00 0.00 N ATOM 154 CA ILE A 10 3.634 11.634 -12.518 1.00 0.00 C ATOM 155 C ILE A 10 2.898 12.982 -12.672 1.00 0.00 C ATOM 156 O ILE A 10 2.636 13.427 -13.795 1.00 0.00 O ATOM 157 CB ILE A 10 2.618 10.500 -12.121 1.00 0.00 C ATOM 158 CG1 ILE A 10 3.359 9.135 -11.940 1.00 0.00 C ATOM 159 CG2 ILE A 10 1.477 10.374 -13.166 1.00 0.00 C ATOM 160 CD1 ILE A 10 2.503 8.005 -11.386 1.00 0.00 C ATOM 0 H ILE A 10 4.587 11.203 -10.683 1.00 0.00 H new ATOM 0 HA ILE A 10 4.083 11.353 -13.471 1.00 0.00 H new ATOM 0 HB ILE A 10 2.165 10.775 -11.168 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.761 8.826 -12.905 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.209 9.286 -11.275 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.792 9.582 -12.863 1.00 0.00 H new ATOM 0 HG22 ILE A 10 0.936 11.318 -13.229 1.00 0.00 H new ATOM 0 HG23 ILE A 10 1.901 10.133 -14.141 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.106 7.101 -11.297 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.122 8.285 -10.404 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.667 7.818 -12.060 1.00 0.00 H new ATOM 172 N GLU A 11 2.585 13.621 -11.519 1.00 0.00 N ATOM 173 CA GLU A 11 1.971 14.971 -11.483 1.00 0.00 C ATOM 174 C GLU A 11 2.924 16.047 -12.040 1.00 0.00 C ATOM 175 O GLU A 11 2.458 17.066 -12.538 1.00 0.00 O ATOM 176 CB GLU A 11 1.501 15.368 -10.042 1.00 0.00 C ATOM 177 CG GLU A 11 0.202 14.698 -9.545 1.00 0.00 C ATOM 178 CD GLU A 11 0.366 13.213 -9.185 1.00 0.00 C ATOM 179 OE1 GLU A 11 0.222 12.343 -10.073 1.00 0.00 O ATOM 180 OE2 GLU A 11 0.632 12.910 -8.001 1.00 0.00 O ATOM 0 H GLU A 11 2.749 13.220 -10.596 1.00 0.00 H new ATOM 0 HA GLU A 11 1.091 14.921 -12.125 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.301 15.128 -9.342 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.364 16.449 -10.011 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.161 15.236 -8.669 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.562 14.793 -10.316 1.00 0.00 H new ATOM 187 N ARG A 12 4.248 15.814 -11.937 1.00 0.00 N ATOM 188 CA ARG A 12 5.268 16.749 -12.440 1.00 0.00 C ATOM 189 C ARG A 12 5.236 16.810 -13.973 1.00 0.00 C ATOM 190 O ARG A 12 5.097 17.891 -14.546 1.00 0.00 O ATOM 191 CB ARG A 12 6.691 16.343 -11.950 1.00 0.00 C ATOM 192 CG ARG A 12 6.996 16.532 -10.443 1.00 0.00 C ATOM 193 CD ARG A 12 6.821 17.981 -9.958 1.00 0.00 C ATOM 194 NE ARG A 12 5.400 18.363 -9.801 1.00 0.00 N ATOM 195 CZ ARG A 12 4.927 19.620 -9.807 1.00 0.00 C ATOM 196 NH1 ARG A 12 5.746 20.670 -9.916 1.00 0.00 N ATOM 197 NH2 ARG A 12 3.627 19.817 -9.675 1.00 0.00 N ATOM 0 H ARG A 12 4.636 14.976 -11.505 1.00 0.00 H new ATOM 0 HA ARG A 12 5.038 17.738 -12.044 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.848 15.293 -12.198 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.422 16.918 -12.518 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.341 15.882 -9.864 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.019 16.212 -10.245 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.334 18.105 -9.004 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.299 18.657 -10.667 1.00 0.00 H new ATOM 0 HE ARG A 12 4.724 17.609 -9.678 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.752 20.526 -9.997 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.365 21.616 -9.918 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.998 19.020 -9.571 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.252 20.766 -9.678 1.00 0.00 H new ATOM 211 N TYR A 13 5.369 15.635 -14.614 1.00 0.00 N ATOM 212 CA TYR A 13 5.372 15.523 -16.080 1.00 0.00 C ATOM 213 C TYR A 13 4.000 15.887 -16.677 1.00 0.00 C ATOM 214 O TYR A 13 3.944 16.474 -17.755 1.00 0.00 O ATOM 215 CB TYR A 13 5.819 14.106 -16.517 1.00 0.00 C ATOM 216 CG TYR A 13 7.323 13.819 -16.289 1.00 0.00 C ATOM 217 CD1 TYR A 13 8.308 14.440 -17.075 1.00 0.00 C ATOM 218 CD2 TYR A 13 7.758 12.936 -15.301 1.00 0.00 C ATOM 219 CE1 TYR A 13 9.654 14.176 -16.883 1.00 0.00 C ATOM 220 CE2 TYR A 13 9.099 12.671 -15.111 1.00 0.00 C ATOM 221 CZ TYR A 13 10.042 13.293 -15.900 1.00 0.00 C ATOM 222 OH TYR A 13 11.376 13.018 -15.709 1.00 0.00 O ATOM 0 H TYR A 13 5.477 14.743 -14.132 1.00 0.00 H new ATOM 0 HA TYR A 13 6.093 16.241 -16.470 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.232 13.367 -15.971 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.591 13.975 -17.575 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.010 15.137 -17.844 1.00 0.00 H new ATOM 0 HD2 TYR A 13 7.029 12.449 -14.670 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.396 14.660 -17.501 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.409 11.976 -14.344 1.00 0.00 H new ATOM 0 HH TYR A 13 11.902 13.439 -16.421 1.00 0.00 H new ATOM 232 N TYR A 14 2.916 15.552 -15.957 1.00 0.00 N ATOM 233 CA TYR A 14 1.535 15.914 -16.349 1.00 0.00 C ATOM 234 C TYR A 14 1.364 17.443 -16.385 1.00 0.00 C ATOM 235 O TYR A 14 0.921 18.001 -17.391 1.00 0.00 O ATOM 236 CB TYR A 14 0.509 15.272 -15.373 1.00 0.00 C ATOM 237 CG TYR A 14 -0.961 15.655 -15.632 1.00 0.00 C ATOM 238 CD1 TYR A 14 -1.751 14.946 -16.538 1.00 0.00 C ATOM 239 CD2 TYR A 14 -1.564 16.728 -14.956 1.00 0.00 C ATOM 240 CE1 TYR A 14 -3.072 15.290 -16.760 1.00 0.00 C ATOM 241 CE2 TYR A 14 -2.883 17.069 -15.176 1.00 0.00 C ATOM 242 CZ TYR A 14 -3.635 16.349 -16.076 1.00 0.00 C ATOM 243 OH TYR A 14 -4.952 16.684 -16.287 1.00 0.00 O ATOM 0 H TYR A 14 2.968 15.023 -15.087 1.00 0.00 H new ATOM 0 HA TYR A 14 1.349 15.527 -17.351 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.603 14.188 -15.432 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.770 15.559 -14.354 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.323 14.113 -17.076 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.982 17.299 -14.248 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.664 14.730 -17.469 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.324 17.899 -14.643 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.188 17.452 -15.725 1.00 0.00 H new ATOM 253 N HIS A 15 1.737 18.101 -15.264 1.00 0.00 N ATOM 254 CA HIS A 15 1.614 19.566 -15.092 1.00 0.00 C ATOM 255 C HIS A 15 2.567 20.301 -16.058 1.00 0.00 C ATOM 256 O HIS A 15 2.338 21.459 -16.406 1.00 0.00 O ATOM 257 CB HIS A 15 1.915 19.958 -13.614 1.00 0.00 C ATOM 258 CG HIS A 15 1.438 21.335 -13.197 1.00 0.00 C ATOM 259 ND1 HIS A 15 2.108 22.499 -13.503 1.00 0.00 N ATOM 260 CD2 HIS A 15 0.353 21.721 -12.475 1.00 0.00 C ATOM 261 CE1 HIS A 15 1.465 23.529 -12.993 1.00 0.00 C ATOM 262 NE2 HIS A 15 0.396 23.089 -12.362 1.00 0.00 N ATOM 0 H HIS A 15 2.133 17.629 -14.451 1.00 0.00 H new ATOM 0 HA HIS A 15 0.593 19.865 -15.328 1.00 0.00 H new ATOM 0 HB2 HIS A 15 1.455 19.219 -12.959 1.00 0.00 H new ATOM 0 HB3 HIS A 15 2.991 19.901 -13.453 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -0.405 21.070 -12.065 1.00 0.00 H new ATOM 0 HE1 HIS A 15 1.765 24.563 -13.078 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -0.286 23.668 -11.871 1.00 0.00 H new ATOM 271 N GLN A 16 3.640 19.597 -16.471 1.00 0.00 N ATOM 272 CA GLN A 16 4.605 20.077 -17.471 1.00 0.00 C ATOM 273 C GLN A 16 3.973 20.118 -18.877 1.00 0.00 C ATOM 274 O GLN A 16 4.205 21.057 -19.632 1.00 0.00 O ATOM 275 CB GLN A 16 5.866 19.161 -17.451 1.00 0.00 C ATOM 276 CG GLN A 16 6.898 19.430 -18.563 1.00 0.00 C ATOM 277 CD GLN A 16 8.186 18.609 -18.423 1.00 0.00 C ATOM 278 OE1 GLN A 16 9.148 19.061 -17.813 1.00 0.00 O ATOM 279 NE2 GLN A 16 8.207 17.406 -18.980 1.00 0.00 N ATOM 0 H GLN A 16 3.860 18.668 -16.113 1.00 0.00 H new ATOM 0 HA GLN A 16 4.900 21.096 -17.220 1.00 0.00 H new ATOM 0 HB2 GLN A 16 6.360 19.273 -16.486 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.541 18.123 -17.524 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.443 19.212 -19.529 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.152 20.490 -18.562 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.388 17.061 -19.480 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.042 16.825 -18.908 1.00 0.00 H new ATOM 288 N LEU A 17 3.178 19.094 -19.207 1.00 0.00 N ATOM 289 CA LEU A 17 2.555 18.942 -20.545 1.00 0.00 C ATOM 290 C LEU A 17 1.304 19.825 -20.701 1.00 0.00 C ATOM 291 O LEU A 17 1.061 20.382 -21.775 1.00 0.00 O ATOM 292 CB LEU A 17 2.197 17.455 -20.769 1.00 0.00 C ATOM 293 CG LEU A 17 3.414 16.479 -20.840 1.00 0.00 C ATOM 294 CD1 LEU A 17 2.982 15.024 -20.606 1.00 0.00 C ATOM 295 CD2 LEU A 17 4.179 16.621 -22.177 1.00 0.00 C ATOM 0 H LEU A 17 2.943 18.342 -18.560 1.00 0.00 H new ATOM 0 HA LEU A 17 3.272 19.270 -21.298 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.539 17.131 -19.962 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.630 17.371 -21.696 1.00 0.00 H new ATOM 0 HG LEU A 17 4.096 16.757 -20.037 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.854 14.372 -20.662 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.525 14.934 -19.621 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.260 14.732 -21.369 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.019 15.927 -22.191 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.508 16.395 -23.006 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.550 17.641 -22.278 1.00 0.00 H new ATOM 307 N THR A 18 0.505 19.924 -19.628 1.00 0.00 N ATOM 308 CA THR A 18 -0.766 20.659 -19.640 1.00 0.00 C ATOM 309 C THR A 18 -0.532 22.171 -19.443 1.00 0.00 C ATOM 310 O THR A 18 -0.876 22.988 -20.310 1.00 0.00 O ATOM 311 CB THR A 18 -1.744 20.105 -18.542 1.00 0.00 C ATOM 312 OG1 THR A 18 -1.131 20.163 -17.243 1.00 0.00 O ATOM 313 CG2 THR A 18 -2.178 18.659 -18.835 1.00 0.00 C ATOM 0 H THR A 18 0.723 19.496 -18.728 1.00 0.00 H new ATOM 0 HA THR A 18 -1.228 20.511 -20.616 1.00 0.00 H new ATOM 0 HB THR A 18 -2.631 20.738 -18.559 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.486 19.431 -17.153 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.853 18.316 -18.051 1.00 0.00 H new ATOM 0 HG22 THR A 18 -2.689 18.620 -19.797 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.300 18.014 -18.865 1.00 0.00 H new ATOM 321 N GLU A 19 0.082 22.527 -18.303 1.00 0.00 N ATOM 322 CA GLU A 19 0.232 23.932 -17.865 1.00 0.00 C ATOM 323 C GLU A 19 1.567 24.504 -18.361 1.00 0.00 C ATOM 324 O GLU A 19 1.637 25.646 -18.830 1.00 0.00 O ATOM 325 CB GLU A 19 0.163 24.006 -16.313 1.00 0.00 C ATOM 326 CG GLU A 19 -1.002 23.220 -15.671 1.00 0.00 C ATOM 327 CD GLU A 19 -2.388 23.678 -16.152 1.00 0.00 C ATOM 328 OE1 GLU A 19 -2.908 24.689 -15.630 1.00 0.00 O ATOM 329 OE2 GLU A 19 -2.968 23.020 -17.046 1.00 0.00 O ATOM 0 H GLU A 19 0.490 21.852 -17.656 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.579 24.525 -18.289 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.102 23.632 -15.905 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.081 25.052 -16.018 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.881 22.160 -15.893 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -0.948 23.327 -14.588 1.00 0.00 H new ATOM 336 N GLY A 20 2.619 23.681 -18.243 1.00 0.00 N ATOM 337 CA GLY A 20 3.982 24.082 -18.574 1.00 0.00 C ATOM 338 C GLY A 20 4.767 24.570 -17.374 1.00 0.00 C ATOM 339 O GLY A 20 4.494 24.172 -16.233 1.00 0.00 O ATOM 0 H GLY A 20 2.542 22.718 -17.914 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.504 23.237 -19.023 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.950 24.872 -19.325 1.00 0.00 H new ATOM 343 N CYS A 21 5.761 25.422 -17.646 1.00 0.00 N ATOM 344 CA CYS A 21 6.608 26.039 -16.605 1.00 0.00 C ATOM 345 C CYS A 21 6.583 27.577 -16.686 1.00 0.00 C ATOM 346 O CYS A 21 7.278 28.237 -15.913 1.00 0.00 O ATOM 347 CB CYS A 21 8.060 25.503 -16.724 1.00 0.00 C ATOM 348 SG CYS A 21 8.807 25.707 -18.376 1.00 0.00 S ATOM 0 H CYS A 21 6.006 25.707 -18.594 1.00 0.00 H new ATOM 0 HA CYS A 21 6.204 25.764 -15.631 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.684 26.014 -15.991 1.00 0.00 H new ATOM 0 HB3 CYS A 21 8.066 24.444 -16.464 1.00 0.00 H new ATOM 353 N GLY A 22 5.770 28.147 -17.607 1.00 0.00 N ATOM 354 CA GLY A 22 5.674 29.609 -17.798 1.00 0.00 C ATOM 355 C GLY A 22 6.774 30.170 -18.706 1.00 0.00 C ATOM 356 O GLY A 22 6.495 30.920 -19.654 1.00 0.00 O ATOM 0 H GLY A 22 5.169 27.610 -18.232 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.701 29.851 -18.225 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.727 30.101 -16.827 1.00 0.00 H new ATOM 360 N ASN A 23 8.028 29.793 -18.389 1.00 0.00 N ATOM 361 CA ASN A 23 9.243 30.125 -19.162 1.00 0.00 C ATOM 362 C ASN A 23 9.098 29.741 -20.659 1.00 0.00 C ATOM 363 O ASN A 23 9.012 28.551 -20.998 1.00 0.00 O ATOM 364 CB ASN A 23 10.447 29.416 -18.463 1.00 0.00 C ATOM 365 CG ASN A 23 11.735 29.304 -19.291 1.00 0.00 C ATOM 366 OD1 ASN A 23 12.025 28.258 -19.849 1.00 0.00 O ATOM 367 ND2 ASN A 23 12.497 30.368 -19.383 1.00 0.00 N ATOM 0 H ASN A 23 8.231 29.231 -17.562 1.00 0.00 H new ATOM 0 HA ASN A 23 9.412 31.202 -19.169 1.00 0.00 H new ATOM 0 HB2 ASN A 23 10.676 29.954 -17.543 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.135 28.412 -18.176 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.356 30.334 -19.932 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.230 31.229 -18.906 1.00 0.00 H new ATOM 374 N GLU A 24 9.034 30.778 -21.532 1.00 0.00 N ATOM 375 CA GLU A 24 8.850 30.609 -22.992 1.00 0.00 C ATOM 376 C GLU A 24 10.131 30.089 -23.662 1.00 0.00 C ATOM 377 O GLU A 24 10.064 29.368 -24.660 1.00 0.00 O ATOM 378 CB GLU A 24 8.412 31.936 -23.666 1.00 0.00 C ATOM 379 CG GLU A 24 9.414 33.106 -23.533 1.00 0.00 C ATOM 380 CD GLU A 24 9.054 34.306 -24.422 1.00 0.00 C ATOM 381 OE1 GLU A 24 7.988 34.915 -24.204 1.00 0.00 O ATOM 382 OE2 GLU A 24 9.828 34.649 -25.339 1.00 0.00 O ATOM 0 H GLU A 24 9.109 31.753 -21.242 1.00 0.00 H new ATOM 0 HA GLU A 24 8.059 29.871 -23.127 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.238 31.746 -24.725 1.00 0.00 H new ATOM 0 HB3 GLU A 24 7.459 32.245 -23.237 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.451 33.429 -22.493 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.412 32.754 -23.793 1.00 0.00 H new ATOM 389 N ALA A 25 11.291 30.461 -23.083 1.00 0.00 N ATOM 390 CA ALA A 25 12.625 30.055 -23.574 1.00 0.00 C ATOM 391 C ALA A 25 13.039 28.704 -22.956 1.00 0.00 C ATOM 392 O ALA A 25 14.195 28.505 -22.543 1.00 0.00 O ATOM 393 CB ALA A 25 13.641 31.163 -23.244 1.00 0.00 C ATOM 0 H ALA A 25 11.329 31.056 -22.255 1.00 0.00 H new ATOM 0 HA ALA A 25 12.595 29.920 -24.655 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.628 30.871 -23.603 1.00 0.00 H new ATOM 0 HB2 ALA A 25 13.338 32.091 -23.730 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.678 31.313 -22.165 1.00 0.00 H new ATOM 399 N CYS A 26 12.076 27.766 -22.949 1.00 0.00 N ATOM 400 CA CYS A 26 12.220 26.447 -22.328 1.00 0.00 C ATOM 401 C CYS A 26 12.884 25.461 -23.306 1.00 0.00 C ATOM 402 O CYS A 26 12.422 25.300 -24.441 1.00 0.00 O ATOM 403 CB CYS A 26 10.841 25.923 -21.885 1.00 0.00 C ATOM 404 SG CYS A 26 10.861 24.204 -21.285 1.00 0.00 S ATOM 0 H CYS A 26 11.164 27.910 -23.382 1.00 0.00 H new ATOM 0 HA CYS A 26 12.860 26.538 -21.450 1.00 0.00 H new ATOM 0 HB2 CYS A 26 10.455 26.568 -21.096 1.00 0.00 H new ATOM 0 HB3 CYS A 26 10.149 25.996 -22.724 1.00 0.00 H new ATOM 409 N THR A 27 13.945 24.778 -22.849 1.00 0.00 N ATOM 410 CA THR A 27 14.765 23.894 -23.700 1.00 0.00 C ATOM 411 C THR A 27 14.205 22.437 -23.744 1.00 0.00 C ATOM 412 O THR A 27 14.931 21.488 -24.078 1.00 0.00 O ATOM 413 CB THR A 27 16.266 23.942 -23.212 1.00 0.00 C ATOM 414 OG1 THR A 27 17.130 23.316 -24.173 1.00 0.00 O ATOM 415 CG2 THR A 27 16.470 23.283 -21.833 1.00 0.00 C ATOM 0 H THR A 27 14.261 24.821 -21.880 1.00 0.00 H new ATOM 0 HA THR A 27 14.722 24.258 -24.727 1.00 0.00 H new ATOM 0 HB THR A 27 16.522 24.997 -23.113 1.00 0.00 H new ATOM 0 HG1 THR A 27 16.719 22.485 -24.490 1.00 0.00 H new ATOM 0 HG21 THR A 27 17.521 23.347 -21.551 1.00 0.00 H new ATOM 0 HG22 THR A 27 15.863 23.799 -21.090 1.00 0.00 H new ATOM 0 HG23 THR A 27 16.171 22.236 -21.882 1.00 0.00 H new ATOM 423 N ASN A 28 12.887 22.281 -23.487 1.00 0.00 N ATOM 424 CA ASN A 28 12.227 20.964 -23.372 1.00 0.00 C ATOM 425 C ASN A 28 11.004 20.917 -24.321 1.00 0.00 C ATOM 426 O ASN A 28 10.027 21.624 -24.095 1.00 0.00 O ATOM 427 CB ASN A 28 11.788 20.748 -21.892 1.00 0.00 C ATOM 428 CG ASN A 28 11.267 19.337 -21.572 1.00 0.00 C ATOM 429 OD1 ASN A 28 10.853 18.580 -22.440 1.00 0.00 O ATOM 430 ND2 ASN A 28 11.259 18.984 -20.305 1.00 0.00 N ATOM 0 H ASN A 28 12.251 23.067 -23.353 1.00 0.00 H new ATOM 0 HA ASN A 28 12.915 20.168 -23.657 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.636 20.963 -21.241 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.009 21.471 -21.650 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.904 18.067 -20.033 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.608 19.627 -19.594 1.00 0.00 H new ATOM 437 N GLU A 29 11.072 20.080 -25.373 1.00 0.00 N ATOM 438 CA GLU A 29 9.980 19.928 -26.371 1.00 0.00 C ATOM 439 C GLU A 29 8.741 19.216 -25.775 1.00 0.00 C ATOM 440 O GLU A 29 7.616 19.405 -26.250 1.00 0.00 O ATOM 441 CB GLU A 29 10.504 19.152 -27.602 1.00 0.00 C ATOM 442 CG GLU A 29 11.021 17.730 -27.282 1.00 0.00 C ATOM 443 CD GLU A 29 11.693 17.043 -28.474 1.00 0.00 C ATOM 444 OE1 GLU A 29 12.913 17.244 -28.672 1.00 0.00 O ATOM 445 OE2 GLU A 29 11.007 16.323 -29.233 1.00 0.00 O ATOM 0 H GLU A 29 11.881 19.488 -25.561 1.00 0.00 H new ATOM 0 HA GLU A 29 9.663 20.926 -26.673 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.704 19.078 -28.339 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.309 19.724 -28.062 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.732 17.787 -26.457 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.187 17.116 -26.942 1.00 0.00 H new ATOM 452 N PHE A 30 8.976 18.403 -24.725 1.00 0.00 N ATOM 453 CA PHE A 30 7.928 17.647 -23.999 1.00 0.00 C ATOM 454 C PHE A 30 7.368 18.498 -22.840 1.00 0.00 C ATOM 455 O PHE A 30 7.189 18.011 -21.712 1.00 0.00 O ATOM 456 CB PHE A 30 8.533 16.314 -23.469 1.00 0.00 C ATOM 457 CG PHE A 30 9.061 15.388 -24.562 1.00 0.00 C ATOM 458 CD1 PHE A 30 8.186 14.766 -25.453 1.00 0.00 C ATOM 459 CD2 PHE A 30 10.431 15.147 -24.705 1.00 0.00 C ATOM 460 CE1 PHE A 30 8.662 13.926 -26.443 1.00 0.00 C ATOM 461 CE2 PHE A 30 10.903 14.305 -25.694 1.00 0.00 C ATOM 462 CZ PHE A 30 10.020 13.698 -26.567 1.00 0.00 C ATOM 0 H PHE A 30 9.912 18.249 -24.350 1.00 0.00 H new ATOM 0 HA PHE A 30 7.105 17.416 -24.675 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.346 16.545 -22.781 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.771 15.785 -22.897 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.124 14.943 -25.369 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.129 15.625 -24.034 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.971 13.447 -27.121 1.00 0.00 H new ATOM 0 HE2 PHE A 30 11.963 14.121 -25.785 1.00 0.00 H new ATOM 0 HZ PHE A 30 10.390 13.047 -27.345 1.00 0.00 H new ATOM 472 N CYS A 31 7.073 19.771 -23.137 1.00 0.00 N ATOM 473 CA CYS A 31 6.683 20.753 -22.127 1.00 0.00 C ATOM 474 C CYS A 31 5.855 21.857 -22.767 1.00 0.00 C ATOM 475 O CYS A 31 6.264 22.403 -23.786 1.00 0.00 O ATOM 476 CB CYS A 31 7.954 21.373 -21.507 1.00 0.00 C ATOM 477 SG CYS A 31 7.664 22.516 -20.125 1.00 0.00 S ATOM 0 H CYS A 31 7.099 20.145 -24.086 1.00 0.00 H new ATOM 0 HA CYS A 31 6.091 20.259 -21.357 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.600 20.566 -21.161 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.498 21.904 -22.288 1.00 0.00 H new ATOM 482 N ALA A 32 4.708 22.200 -22.163 1.00 0.00 N ATOM 483 CA ALA A 32 3.969 23.422 -22.506 1.00 0.00 C ATOM 484 C ALA A 32 4.798 24.650 -22.074 1.00 0.00 C ATOM 485 O ALA A 32 5.752 24.505 -21.288 1.00 0.00 O ATOM 486 CB ALA A 32 2.568 23.412 -21.867 1.00 0.00 C ATOM 0 H ALA A 32 4.270 21.643 -21.429 1.00 0.00 H new ATOM 0 HA ALA A 32 3.817 23.472 -23.584 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.039 24.327 -22.135 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.009 22.550 -22.230 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.663 23.352 -20.783 1.00 0.00 H new ATOM 492 N SER A 33 4.437 25.826 -22.614 1.00 0.00 N ATOM 493 CA SER A 33 5.254 27.065 -22.585 1.00 0.00 C ATOM 494 C SER A 33 6.416 26.985 -23.607 1.00 0.00 C ATOM 495 O SER A 33 7.221 27.910 -23.703 1.00 0.00 O ATOM 496 CB SER A 33 5.797 27.404 -21.159 1.00 0.00 C ATOM 497 OG SER A 33 4.783 27.328 -20.167 1.00 0.00 O ATOM 0 H SER A 33 3.547 25.951 -23.097 1.00 0.00 H new ATOM 0 HA SER A 33 4.588 27.880 -22.869 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.603 26.715 -20.906 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.224 28.407 -21.164 1.00 0.00 H new ATOM 0 HG SER A 33 4.461 28.230 -19.959 1.00 0.00 H new ATOM 503 N CYS A 34 6.483 25.882 -24.384 1.00 0.00 N ATOM 504 CA CYS A 34 7.451 25.719 -25.466 1.00 0.00 C ATOM 505 C CYS A 34 6.727 25.839 -26.822 1.00 0.00 C ATOM 506 O CYS A 34 5.690 25.196 -27.010 1.00 0.00 O ATOM 507 CB CYS A 34 8.143 24.353 -25.330 1.00 0.00 C ATOM 508 SG CYS A 34 8.936 24.136 -23.732 1.00 0.00 S ATOM 0 H CYS A 34 5.860 25.082 -24.270 1.00 0.00 H new ATOM 0 HA CYS A 34 8.211 26.498 -25.410 1.00 0.00 H new ATOM 0 HB2 CYS A 34 7.408 23.561 -25.477 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.888 24.247 -26.119 1.00 0.00 H new ATOM 0 HG CYS A 34 9.648 23.048 -23.745 1.00 0.00 H new ATOM 514 N PRO A 35 7.250 26.685 -27.777 1.00 0.00 N ATOM 515 CA PRO A 35 6.718 26.776 -29.165 1.00 0.00 C ATOM 516 C PRO A 35 6.790 25.419 -29.916 1.00 0.00 C ATOM 517 O PRO A 35 5.941 25.121 -30.758 1.00 0.00 O ATOM 518 CB PRO A 35 7.622 27.863 -29.833 1.00 0.00 C ATOM 519 CG PRO A 35 8.843 27.937 -28.965 1.00 0.00 C ATOM 520 CD PRO A 35 8.367 27.641 -27.561 1.00 0.00 C ATOM 0 HA PRO A 35 5.659 27.035 -29.188 1.00 0.00 H new ATOM 0 HB2 PRO A 35 7.880 27.588 -30.856 1.00 0.00 H new ATOM 0 HB3 PRO A 35 7.113 28.825 -29.881 1.00 0.00 H new ATOM 0 HG2 PRO A 35 9.594 27.214 -29.284 1.00 0.00 H new ATOM 0 HG3 PRO A 35 9.304 28.923 -29.022 1.00 0.00 H new ATOM 0 HD2 PRO A 35 9.158 27.205 -26.951 1.00 0.00 H new ATOM 0 HD3 PRO A 35 8.032 28.544 -27.051 1.00 0.00 H new ATOM 528 N THR A 36 7.804 24.598 -29.574 1.00 0.00 N ATOM 529 CA THR A 36 8.025 23.270 -30.194 1.00 0.00 C ATOM 530 C THR A 36 7.075 22.183 -29.637 1.00 0.00 C ATOM 531 O THR A 36 7.104 21.036 -30.105 1.00 0.00 O ATOM 532 CB THR A 36 9.513 22.823 -30.015 1.00 0.00 C ATOM 533 OG1 THR A 36 9.901 22.944 -28.637 1.00 0.00 O ATOM 534 CG2 THR A 36 10.467 23.657 -30.885 1.00 0.00 C ATOM 0 H THR A 36 8.494 24.834 -28.861 1.00 0.00 H new ATOM 0 HA THR A 36 7.801 23.380 -31.255 1.00 0.00 H new ATOM 0 HB THR A 36 9.582 21.783 -30.333 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.833 22.660 -28.534 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.491 23.316 -30.732 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.198 23.540 -31.935 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.389 24.708 -30.606 1.00 0.00 H new ATOM 542 N PHE A 37 6.241 22.539 -28.643 1.00 0.00 N ATOM 543 CA PHE A 37 5.254 21.613 -28.058 1.00 0.00 C ATOM 544 C PHE A 37 3.930 21.664 -28.843 1.00 0.00 C ATOM 545 O PHE A 37 3.335 22.741 -29.007 1.00 0.00 O ATOM 546 CB PHE A 37 4.999 21.950 -26.567 1.00 0.00 C ATOM 547 CG PHE A 37 4.011 21.007 -25.871 1.00 0.00 C ATOM 548 CD1 PHE A 37 4.375 19.691 -25.580 1.00 0.00 C ATOM 549 CD2 PHE A 37 2.730 21.431 -25.508 1.00 0.00 C ATOM 550 CE1 PHE A 37 3.492 18.834 -24.959 1.00 0.00 C ATOM 551 CE2 PHE A 37 1.850 20.570 -24.888 1.00 0.00 C ATOM 552 CZ PHE A 37 2.232 19.273 -24.610 1.00 0.00 C ATOM 0 H PHE A 37 6.232 23.469 -28.225 1.00 0.00 H new ATOM 0 HA PHE A 37 5.661 20.604 -28.122 1.00 0.00 H new ATOM 0 HB2 PHE A 37 5.948 21.923 -26.032 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.622 22.970 -26.496 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.361 19.340 -25.845 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.426 22.446 -25.716 1.00 0.00 H new ATOM 0 HE1 PHE A 37 3.787 17.817 -24.745 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.861 20.910 -24.620 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.544 18.601 -24.119 1.00 0.00 H new ATOM 562 N LEU A 38 3.486 20.498 -29.340 1.00 0.00 N ATOM 563 CA LEU A 38 2.155 20.337 -29.935 1.00 0.00 C ATOM 564 C LEU A 38 1.151 20.078 -28.797 1.00 0.00 C ATOM 565 O LEU A 38 1.334 19.129 -28.023 1.00 0.00 O ATOM 566 CB LEU A 38 2.171 19.164 -30.948 1.00 0.00 C ATOM 567 CG LEU A 38 0.922 19.049 -31.885 1.00 0.00 C ATOM 568 CD1 LEU A 38 0.805 20.281 -32.820 1.00 0.00 C ATOM 569 CD2 LEU A 38 0.942 17.730 -32.703 1.00 0.00 C ATOM 0 H LEU A 38 4.042 19.643 -29.339 1.00 0.00 H new ATOM 0 HA LEU A 38 1.862 21.236 -30.477 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.060 19.260 -31.571 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.271 18.232 -30.392 1.00 0.00 H new ATOM 0 HG LEU A 38 0.039 19.027 -31.247 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.072 20.171 -33.458 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.706 21.185 -32.220 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.698 20.353 -33.440 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.060 17.685 -33.342 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.840 17.698 -33.321 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.940 16.879 -32.022 1.00 0.00 H new ATOM 581 N ARG A 39 0.135 20.946 -28.673 1.00 0.00 N ATOM 582 CA ARG A 39 -0.829 20.888 -27.566 1.00 0.00 C ATOM 583 C ARG A 39 -1.645 19.571 -27.612 1.00 0.00 C ATOM 584 O ARG A 39 -2.310 19.270 -28.613 1.00 0.00 O ATOM 585 CB ARG A 39 -1.778 22.132 -27.609 1.00 0.00 C ATOM 586 CG ARG A 39 -1.978 22.851 -26.249 1.00 0.00 C ATOM 587 CD ARG A 39 -2.666 21.976 -25.173 1.00 0.00 C ATOM 588 NE ARG A 39 -2.799 22.689 -23.889 1.00 0.00 N ATOM 589 CZ ARG A 39 -3.358 22.191 -22.769 1.00 0.00 C ATOM 590 NH1 ARG A 39 -3.849 20.954 -22.730 1.00 0.00 N ATOM 591 NH2 ARG A 39 -3.404 22.941 -21.679 1.00 0.00 N ATOM 0 H ARG A 39 -0.040 21.703 -29.334 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.277 20.906 -26.626 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.380 22.849 -28.327 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.752 21.815 -27.982 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.007 23.175 -25.874 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.574 23.750 -26.408 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -3.653 21.675 -25.526 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.089 21.063 -25.024 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.436 23.641 -23.845 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.806 20.362 -23.560 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.268 20.598 -21.871 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.019 23.885 -21.693 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.825 22.575 -20.825 1.00 0.00 H new ATOM 605 N MET A 40 -1.577 18.813 -26.514 1.00 0.00 N ATOM 606 CA MET A 40 -2.310 17.545 -26.331 1.00 0.00 C ATOM 607 C MET A 40 -3.412 17.726 -25.272 1.00 0.00 C ATOM 608 O MET A 40 -3.375 18.688 -24.483 1.00 0.00 O ATOM 609 CB MET A 40 -1.312 16.434 -25.895 1.00 0.00 C ATOM 610 CG MET A 40 -0.537 16.739 -24.597 1.00 0.00 C ATOM 611 SD MET A 40 0.602 15.419 -24.110 1.00 0.00 S ATOM 612 CE MET A 40 1.741 15.336 -25.492 1.00 0.00 C ATOM 0 H MET A 40 -1.002 19.063 -25.709 1.00 0.00 H new ATOM 0 HA MET A 40 -2.780 17.253 -27.270 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.861 15.502 -25.764 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.596 16.271 -26.700 1.00 0.00 H new ATOM 0 HG2 MET A 40 0.025 17.664 -24.728 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.249 16.910 -23.790 1.00 0.00 H new ATOM 0 HE1 MET A 40 1.554 14.427 -26.064 1.00 0.00 H new ATOM 0 HE2 MET A 40 1.597 16.205 -26.135 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.765 15.326 -25.119 1.00 0.00 H new ATOM 622 N ASP A 41 -4.390 16.803 -25.270 1.00 0.00 N ATOM 623 CA ASP A 41 -5.440 16.728 -24.226 1.00 0.00 C ATOM 624 C ASP A 41 -4.830 16.287 -22.892 1.00 0.00 C ATOM 625 O ASP A 41 -3.711 15.780 -22.869 1.00 0.00 O ATOM 626 CB ASP A 41 -6.556 15.729 -24.645 1.00 0.00 C ATOM 627 CG ASP A 41 -7.440 16.279 -25.772 1.00 0.00 C ATOM 628 OD1 ASP A 41 -7.025 16.235 -26.949 1.00 0.00 O ATOM 629 OD2 ASP A 41 -8.550 16.777 -25.483 1.00 0.00 O ATOM 0 H ASP A 41 -4.479 16.086 -25.990 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.878 17.719 -24.110 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.100 14.793 -24.968 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.177 15.498 -23.779 1.00 0.00 H new ATOM 634 N ASN A 42 -5.589 16.459 -21.794 1.00 0.00 N ATOM 635 CA ASN A 42 -5.156 16.052 -20.439 1.00 0.00 C ATOM 636 C ASN A 42 -5.068 14.518 -20.338 1.00 0.00 C ATOM 637 O ASN A 42 -4.239 13.993 -19.595 1.00 0.00 O ATOM 638 CB ASN A 42 -6.118 16.605 -19.351 1.00 0.00 C ATOM 639 CG ASN A 42 -6.189 18.139 -19.285 1.00 0.00 C ATOM 640 OD1 ASN A 42 -6.104 18.826 -20.305 1.00 0.00 O ATOM 641 ND2 ASN A 42 -6.329 18.693 -18.082 1.00 0.00 N ATOM 0 H ASN A 42 -6.517 16.882 -21.818 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.167 16.475 -20.265 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.119 16.215 -19.536 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.803 16.226 -18.379 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.368 19.708 -17.989 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.397 18.102 -17.253 1.00 0.00 H new ATOM 648 N ASN A 43 -5.945 13.815 -21.089 1.00 0.00 N ATOM 649 CA ASN A 43 -5.895 12.342 -21.232 1.00 0.00 C ATOM 650 C ASN A 43 -4.568 11.909 -21.885 1.00 0.00 C ATOM 651 O ASN A 43 -3.886 11.001 -21.399 1.00 0.00 O ATOM 652 CB ASN A 43 -7.085 11.836 -22.093 1.00 0.00 C ATOM 653 CG ASN A 43 -8.450 11.938 -21.412 1.00 0.00 C ATOM 654 OD1 ASN A 43 -8.559 11.827 -20.193 1.00 0.00 O ATOM 655 ND2 ASN A 43 -9.508 12.137 -22.192 1.00 0.00 N ATOM 0 H ASN A 43 -6.705 14.251 -21.611 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.964 11.904 -20.236 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.113 12.406 -23.022 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -6.905 10.795 -22.363 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.439 12.201 -21.781 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.388 12.226 -23.201 1.00 0.00 H new ATOM 662 N ALA A 44 -4.220 12.592 -22.992 1.00 0.00 N ATOM 663 CA ALA A 44 -2.993 12.324 -23.762 1.00 0.00 C ATOM 664 C ALA A 44 -1.748 12.717 -22.951 1.00 0.00 C ATOM 665 O ALA A 44 -0.704 12.073 -23.059 1.00 0.00 O ATOM 666 CB ALA A 44 -3.044 13.070 -25.105 1.00 0.00 C ATOM 0 H ALA A 44 -4.785 13.348 -23.378 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.928 11.255 -23.967 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.133 12.867 -25.669 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.908 12.731 -25.677 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.127 14.142 -24.923 1.00 0.00 H new ATOM 672 N ALA A 45 -1.906 13.758 -22.107 1.00 0.00 N ATOM 673 CA ALA A 45 -0.844 14.281 -21.238 1.00 0.00 C ATOM 674 C ALA A 45 -0.656 13.396 -20.003 1.00 0.00 C ATOM 675 O ALA A 45 0.408 13.414 -19.398 1.00 0.00 O ATOM 676 CB ALA A 45 -1.162 15.725 -20.828 1.00 0.00 C ATOM 0 H ALA A 45 -2.788 14.262 -22.013 1.00 0.00 H new ATOM 0 HA ALA A 45 0.092 14.273 -21.797 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.368 16.103 -20.184 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.235 16.349 -21.719 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.109 15.750 -20.290 1.00 0.00 H new ATOM 682 N ALA A 46 -1.711 12.648 -19.627 1.00 0.00 N ATOM 683 CA ALA A 46 -1.659 11.680 -18.520 1.00 0.00 C ATOM 684 C ALA A 46 -0.862 10.439 -18.947 1.00 0.00 C ATOM 685 O ALA A 46 0.009 9.975 -18.211 1.00 0.00 O ATOM 686 CB ALA A 46 -3.078 11.316 -18.057 1.00 0.00 C ATOM 0 H ALA A 46 -2.622 12.699 -20.083 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.146 12.131 -17.670 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.021 10.599 -17.238 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.592 12.215 -17.717 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.630 10.875 -18.887 1.00 0.00 H new ATOM 692 N ILE A 47 -1.155 9.935 -20.165 1.00 0.00 N ATOM 693 CA ILE A 47 -0.407 8.818 -20.774 1.00 0.00 C ATOM 694 C ILE A 47 1.065 9.221 -20.949 1.00 0.00 C ATOM 695 O ILE A 47 1.972 8.505 -20.508 1.00 0.00 O ATOM 696 CB ILE A 47 -1.006 8.397 -22.173 1.00 0.00 C ATOM 697 CG1 ILE A 47 -2.498 7.948 -22.037 1.00 0.00 C ATOM 698 CG2 ILE A 47 -0.145 7.287 -22.853 1.00 0.00 C ATOM 699 CD1 ILE A 47 -2.720 6.738 -21.140 1.00 0.00 C ATOM 0 H ILE A 47 -1.912 10.289 -20.749 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.489 7.961 -20.105 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.978 9.275 -22.818 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.080 8.783 -21.648 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.887 7.723 -23.030 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.586 7.022 -23.814 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.868 7.657 -23.009 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.115 6.406 -22.212 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.783 6.500 -21.106 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.170 5.885 -21.537 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.366 6.961 -20.134 1.00 0.00 H new ATOM 711 N LYS A 48 1.269 10.410 -21.555 1.00 0.00 N ATOM 712 CA LYS A 48 2.602 10.940 -21.865 1.00 0.00 C ATOM 713 C LYS A 48 3.365 11.297 -20.571 1.00 0.00 C ATOM 714 O LYS A 48 4.591 11.311 -20.569 1.00 0.00 O ATOM 715 CB LYS A 48 2.491 12.168 -22.814 1.00 0.00 C ATOM 716 CG LYS A 48 3.825 12.643 -23.428 1.00 0.00 C ATOM 717 CD LYS A 48 4.454 11.581 -24.354 1.00 0.00 C ATOM 718 CE LYS A 48 5.808 12.031 -24.912 1.00 0.00 C ATOM 719 NZ LYS A 48 6.374 11.069 -25.891 1.00 0.00 N ATOM 0 H LYS A 48 0.508 11.026 -21.841 1.00 0.00 H new ATOM 0 HA LYS A 48 3.171 10.167 -22.380 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.804 11.921 -23.623 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.048 12.996 -22.261 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.657 13.560 -23.992 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.525 12.885 -22.628 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.581 10.650 -23.802 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.774 11.372 -25.180 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.694 13.004 -25.390 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.510 12.161 -24.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.289 11.423 -26.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.510 10.146 -25.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.719 10.963 -26.692 1.00 0.00 H new ATOM 733 N ALA A 49 2.622 11.570 -19.469 1.00 0.00 N ATOM 734 CA ALA A 49 3.215 11.774 -18.129 1.00 0.00 C ATOM 735 C ALA A 49 3.922 10.504 -17.666 1.00 0.00 C ATOM 736 O ALA A 49 5.059 10.566 -17.202 1.00 0.00 O ATOM 737 CB ALA A 49 2.160 12.201 -17.091 1.00 0.00 C ATOM 0 H ALA A 49 1.606 11.654 -19.486 1.00 0.00 H new ATOM 0 HA ALA A 49 3.941 12.583 -18.213 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.639 12.340 -16.122 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.699 13.137 -17.405 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.395 11.429 -17.011 1.00 0.00 H new ATOM 743 N LEU A 50 3.237 9.355 -17.838 1.00 0.00 N ATOM 744 CA LEU A 50 3.792 8.032 -17.503 1.00 0.00 C ATOM 745 C LEU A 50 4.930 7.633 -18.466 1.00 0.00 C ATOM 746 O LEU A 50 5.852 6.934 -18.047 1.00 0.00 O ATOM 747 CB LEU A 50 2.682 6.929 -17.480 1.00 0.00 C ATOM 748 CG LEU A 50 1.818 6.811 -16.174 1.00 0.00 C ATOM 749 CD1 LEU A 50 2.705 6.554 -14.937 1.00 0.00 C ATOM 750 CD2 LEU A 50 0.910 8.037 -15.966 1.00 0.00 C ATOM 0 H LEU A 50 2.288 9.320 -18.211 1.00 0.00 H new ATOM 0 HA LEU A 50 4.210 8.110 -16.499 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.007 7.110 -18.317 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.159 5.965 -17.658 1.00 0.00 H new ATOM 0 HG LEU A 50 1.164 5.949 -16.302 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.078 6.477 -14.049 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.258 5.624 -15.072 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.407 7.379 -14.815 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.332 7.910 -15.051 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.523 8.935 -15.886 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.231 8.135 -16.813 1.00 0.00 H new ATOM 762 N GLU A 51 4.855 8.064 -19.748 1.00 0.00 N ATOM 763 CA GLU A 51 5.916 7.795 -20.751 1.00 0.00 C ATOM 764 C GLU A 51 7.212 8.525 -20.367 1.00 0.00 C ATOM 765 O GLU A 51 8.286 7.924 -20.307 1.00 0.00 O ATOM 766 CB GLU A 51 5.461 8.228 -22.172 1.00 0.00 C ATOM 767 CG GLU A 51 4.179 7.535 -22.686 1.00 0.00 C ATOM 768 CD GLU A 51 4.317 6.015 -22.883 1.00 0.00 C ATOM 769 OE1 GLU A 51 4.739 5.585 -23.978 1.00 0.00 O ATOM 770 OE2 GLU A 51 3.995 5.239 -21.954 1.00 0.00 O ATOM 0 H GLU A 51 4.069 8.601 -20.114 1.00 0.00 H new ATOM 0 HA GLU A 51 6.104 6.721 -20.764 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.299 9.306 -22.173 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.271 8.027 -22.873 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.369 7.726 -21.982 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.890 7.988 -23.635 1.00 0.00 H new ATOM 777 N LEU A 52 7.072 9.829 -20.076 1.00 0.00 N ATOM 778 CA LEU A 52 8.193 10.696 -19.667 1.00 0.00 C ATOM 779 C LEU A 52 8.740 10.298 -18.288 1.00 0.00 C ATOM 780 O LEU A 52 9.929 10.478 -18.005 1.00 0.00 O ATOM 781 CB LEU A 52 7.755 12.176 -19.671 1.00 0.00 C ATOM 782 CG LEU A 52 7.326 12.770 -21.050 1.00 0.00 C ATOM 783 CD1 LEU A 52 6.870 14.238 -20.898 1.00 0.00 C ATOM 784 CD2 LEU A 52 8.452 12.636 -22.107 1.00 0.00 C ATOM 0 H LEU A 52 6.176 10.314 -20.118 1.00 0.00 H new ATOM 0 HA LEU A 52 8.998 10.565 -20.390 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.922 12.287 -18.977 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.577 12.776 -19.281 1.00 0.00 H new ATOM 0 HG LEU A 52 6.477 12.189 -21.410 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.576 14.630 -21.872 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.021 14.287 -20.216 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.691 14.834 -20.499 1.00 0.00 H new ATOM 0 HD21 LEU A 52 8.116 13.061 -23.053 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.338 13.170 -21.764 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.695 11.583 -22.248 1.00 0.00 H new ATOM 796 N TYR A 53 7.853 9.761 -17.444 1.00 0.00 N ATOM 797 CA TYR A 53 8.207 9.268 -16.112 1.00 0.00 C ATOM 798 C TYR A 53 9.077 7.992 -16.206 1.00 0.00 C ATOM 799 O TYR A 53 10.139 7.926 -15.584 1.00 0.00 O ATOM 800 CB TYR A 53 6.919 9.020 -15.265 1.00 0.00 C ATOM 801 CG TYR A 53 7.152 8.203 -13.989 1.00 0.00 C ATOM 802 CD1 TYR A 53 7.973 8.680 -12.963 1.00 0.00 C ATOM 803 CD2 TYR A 53 6.606 6.921 -13.840 1.00 0.00 C ATOM 804 CE1 TYR A 53 8.238 7.910 -11.851 1.00 0.00 C ATOM 805 CE2 TYR A 53 6.860 6.164 -12.720 1.00 0.00 C ATOM 806 CZ TYR A 53 7.681 6.654 -11.743 1.00 0.00 C ATOM 807 OH TYR A 53 7.959 5.879 -10.657 1.00 0.00 O ATOM 0 H TYR A 53 6.864 9.656 -17.669 1.00 0.00 H new ATOM 0 HA TYR A 53 8.801 10.030 -15.607 1.00 0.00 H new ATOM 0 HB2 TYR A 53 6.486 9.983 -14.992 1.00 0.00 H new ATOM 0 HB3 TYR A 53 6.185 8.504 -15.884 1.00 0.00 H new ATOM 0 HD1 TYR A 53 8.406 9.666 -13.043 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.974 6.520 -14.619 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.879 8.289 -11.068 1.00 0.00 H new ATOM 0 HE2 TYR A 53 6.413 5.187 -12.613 1.00 0.00 H new ATOM 0 HH TYR A 53 8.565 6.362 -10.057 1.00 0.00 H new ATOM 817 N LYS A 54 8.624 6.993 -16.995 1.00 0.00 N ATOM 818 CA LYS A 54 9.268 5.657 -17.054 1.00 0.00 C ATOM 819 C LYS A 54 10.656 5.732 -17.729 1.00 0.00 C ATOM 820 O LYS A 54 11.565 4.954 -17.396 1.00 0.00 O ATOM 821 CB LYS A 54 8.353 4.623 -17.784 1.00 0.00 C ATOM 822 CG LYS A 54 8.112 4.902 -19.288 1.00 0.00 C ATOM 823 CD LYS A 54 7.171 3.882 -19.973 1.00 0.00 C ATOM 824 CE LYS A 54 5.757 3.837 -19.366 1.00 0.00 C ATOM 825 NZ LYS A 54 4.843 2.981 -20.166 1.00 0.00 N ATOM 0 H LYS A 54 7.811 7.085 -17.604 1.00 0.00 H new ATOM 0 HA LYS A 54 9.412 5.317 -16.028 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.797 3.633 -17.681 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.388 4.594 -17.277 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.691 5.901 -19.399 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.071 4.901 -19.806 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.094 4.127 -21.032 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.616 2.889 -19.907 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.811 3.458 -18.346 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.353 4.848 -19.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.106 2.587 -19.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.399 3.551 -20.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.384 2.205 -20.598 1.00 0.00 H new ATOM 839 N ILE A 55 10.813 6.680 -18.674 1.00 0.00 N ATOM 840 CA ILE A 55 12.091 6.899 -19.382 1.00 0.00 C ATOM 841 C ILE A 55 13.018 7.836 -18.579 1.00 0.00 C ATOM 842 O ILE A 55 14.224 7.896 -18.860 1.00 0.00 O ATOM 843 CB ILE A 55 11.855 7.480 -20.830 1.00 0.00 C ATOM 844 CG1 ILE A 55 11.275 8.934 -20.775 1.00 0.00 C ATOM 845 CG2 ILE A 55 10.930 6.536 -21.652 1.00 0.00 C ATOM 846 CD1 ILE A 55 10.931 9.547 -22.124 1.00 0.00 C ATOM 0 H ILE A 55 10.066 7.310 -18.966 1.00 0.00 H new ATOM 0 HA ILE A 55 12.577 5.928 -19.478 1.00 0.00 H new ATOM 0 HB ILE A 55 12.820 7.535 -21.333 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.376 8.926 -20.158 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.999 9.578 -20.276 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.778 6.952 -22.648 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.395 5.554 -21.736 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.968 6.440 -21.148 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.538 10.553 -21.977 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.828 9.595 -22.741 1.00 0.00 H new ATOM 0 HD13 ILE A 55 10.180 8.933 -22.622 1.00 0.00 H new ATOM 858 N ASN A 56 12.427 8.552 -17.583 1.00 0.00 N ATOM 859 CA ASN A 56 13.110 9.581 -16.767 1.00 0.00 C ATOM 860 C ASN A 56 13.644 10.709 -17.677 1.00 0.00 C ATOM 861 O ASN A 56 14.857 10.867 -17.870 1.00 0.00 O ATOM 862 CB ASN A 56 14.236 8.971 -15.874 1.00 0.00 C ATOM 863 CG ASN A 56 13.753 7.925 -14.855 1.00 0.00 C ATOM 864 OD1 ASN A 56 14.445 6.940 -14.595 1.00 0.00 O ATOM 865 ND2 ASN A 56 12.596 8.138 -14.247 1.00 0.00 N ATOM 0 H ASN A 56 11.448 8.424 -17.325 1.00 0.00 H new ATOM 0 HA ASN A 56 12.379 10.010 -16.081 1.00 0.00 H new ATOM 0 HB2 ASN A 56 14.984 8.511 -16.520 1.00 0.00 H new ATOM 0 HB3 ASN A 56 14.733 9.779 -15.337 1.00 0.00 H new ATOM 0 HD21 ASN A 56 12.260 7.478 -13.545 1.00 0.00 H new ATOM 0 HD22 ASN A 56 12.041 8.962 -14.480 1.00 0.00 H new ATOM 872 N ALA A 57 12.698 11.435 -18.291 1.00 0.00 N ATOM 873 CA ALA A 57 12.978 12.512 -19.259 1.00 0.00 C ATOM 874 C ALA A 57 13.382 13.824 -18.563 1.00 0.00 C ATOM 875 O ALA A 57 13.536 13.876 -17.332 1.00 0.00 O ATOM 876 CB ALA A 57 11.737 12.731 -20.143 1.00 0.00 C ATOM 0 H ALA A 57 11.702 11.290 -18.128 1.00 0.00 H new ATOM 0 HA ALA A 57 13.824 12.207 -19.875 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.937 13.526 -20.861 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.504 11.810 -20.677 1.00 0.00 H new ATOM 0 HB3 ALA A 57 10.890 13.012 -19.518 1.00 0.00 H new ATOM 882 N LYS A 58 13.562 14.875 -19.381 1.00 0.00 N ATOM 883 CA LYS A 58 13.805 16.236 -18.897 1.00 0.00 C ATOM 884 C LYS A 58 12.548 16.760 -18.185 1.00 0.00 C ATOM 885 O LYS A 58 11.433 16.663 -18.722 1.00 0.00 O ATOM 886 CB LYS A 58 14.207 17.173 -20.063 1.00 0.00 C ATOM 887 CG LYS A 58 15.453 16.695 -20.834 1.00 0.00 C ATOM 888 CD LYS A 58 15.975 17.720 -21.863 1.00 0.00 C ATOM 889 CE LYS A 58 14.952 18.075 -22.955 1.00 0.00 C ATOM 890 NZ LYS A 58 15.578 18.874 -24.042 1.00 0.00 N ATOM 0 H LYS A 58 13.542 14.800 -20.398 1.00 0.00 H new ATOM 0 HA LYS A 58 14.633 16.217 -18.188 1.00 0.00 H new ATOM 0 HB2 LYS A 58 13.370 17.257 -20.757 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.395 18.171 -19.668 1.00 0.00 H new ATOM 0 HG2 LYS A 58 16.247 16.472 -20.121 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.216 15.764 -21.349 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.266 18.631 -21.340 1.00 0.00 H new ATOM 0 HD3 LYS A 58 16.874 17.323 -22.335 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.528 17.161 -23.370 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.128 18.637 -22.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 15.068 19.774 -24.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 16.572 19.066 -23.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.533 18.342 -24.934 1.00 0.00 H new ATOM 904 N LEU A 59 12.730 17.273 -16.966 1.00 0.00 N ATOM 905 CA LEU A 59 11.641 17.802 -16.150 1.00 0.00 C ATOM 906 C LEU A 59 11.909 19.275 -15.816 1.00 0.00 C ATOM 907 O LEU A 59 13.065 19.679 -15.660 1.00 0.00 O ATOM 908 CB LEU A 59 11.507 16.962 -14.858 1.00 0.00 C ATOM 909 CG LEU A 59 10.333 17.361 -13.919 1.00 0.00 C ATOM 910 CD1 LEU A 59 8.975 17.214 -14.653 1.00 0.00 C ATOM 911 CD2 LEU A 59 10.362 16.546 -12.607 1.00 0.00 C ATOM 0 H LEU A 59 13.644 17.332 -16.517 1.00 0.00 H new ATOM 0 HA LEU A 59 10.705 17.740 -16.705 1.00 0.00 H new ATOM 0 HB2 LEU A 59 11.387 15.915 -15.137 1.00 0.00 H new ATOM 0 HB3 LEU A 59 12.439 17.038 -14.298 1.00 0.00 H new ATOM 0 HG LEU A 59 10.455 18.410 -13.647 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.165 17.497 -13.981 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.963 17.862 -15.529 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.841 16.179 -14.966 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.529 16.848 -11.972 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.277 15.484 -12.836 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.301 16.730 -12.085 1.00 0.00 H new ATOM 923 N CYS A 60 10.835 20.072 -15.744 1.00 0.00 N ATOM 924 CA CYS A 60 10.885 21.458 -15.267 1.00 0.00 C ATOM 925 C CYS A 60 10.224 21.526 -13.881 1.00 0.00 C ATOM 926 O CYS A 60 9.007 21.307 -13.751 1.00 0.00 O ATOM 927 CB CYS A 60 10.160 22.398 -16.241 1.00 0.00 C ATOM 928 SG CYS A 60 10.793 22.407 -17.938 1.00 0.00 S ATOM 0 H CYS A 60 9.900 19.770 -16.018 1.00 0.00 H new ATOM 0 HA CYS A 60 11.925 21.779 -15.203 1.00 0.00 H new ATOM 0 HB2 CYS A 60 9.106 22.122 -16.267 1.00 0.00 H new ATOM 0 HB3 CYS A 60 10.214 23.413 -15.847 1.00 0.00 H new ATOM 933 N ASP A 61 11.037 21.791 -12.858 1.00 0.00 N ATOM 934 CA ASP A 61 10.578 21.976 -11.468 1.00 0.00 C ATOM 935 C ASP A 61 11.226 23.260 -10.905 1.00 0.00 C ATOM 936 O ASP A 61 12.277 23.678 -11.411 1.00 0.00 O ATOM 937 CB ASP A 61 10.942 20.728 -10.606 1.00 0.00 C ATOM 938 CG ASP A 61 12.457 20.551 -10.363 1.00 0.00 C ATOM 939 OD1 ASP A 61 13.171 20.112 -11.286 1.00 0.00 O ATOM 940 OD2 ASP A 61 12.938 20.861 -9.249 1.00 0.00 O ATOM 0 H ASP A 61 12.047 21.886 -12.966 1.00 0.00 H new ATOM 0 HA ASP A 61 9.494 22.082 -11.440 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.437 20.805 -9.643 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.557 19.835 -11.098 1.00 0.00 H new ATOM 945 N PRO A 62 10.614 23.932 -9.870 1.00 0.00 N ATOM 946 CA PRO A 62 11.232 25.111 -9.218 1.00 0.00 C ATOM 947 C PRO A 62 12.519 24.701 -8.480 1.00 0.00 C ATOM 948 O PRO A 62 12.475 23.826 -7.605 1.00 0.00 O ATOM 949 CB PRO A 62 10.137 25.616 -8.228 1.00 0.00 C ATOM 950 CG PRO A 62 8.861 24.982 -8.711 1.00 0.00 C ATOM 951 CD PRO A 62 9.272 23.646 -9.296 1.00 0.00 C ATOM 0 HA PRO A 62 11.529 25.885 -9.925 1.00 0.00 H new ATOM 0 HB2 PRO A 62 10.363 25.320 -7.204 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.067 26.704 -8.237 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.153 24.851 -7.893 1.00 0.00 H new ATOM 0 HG3 PRO A 62 8.372 25.605 -9.460 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.316 22.868 -8.534 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.571 23.306 -10.058 1.00 0.00 H new ATOM 959 N HIS A 63 13.656 25.315 -8.860 1.00 0.00 N ATOM 960 CA HIS A 63 14.972 25.068 -8.233 1.00 0.00 C ATOM 961 C HIS A 63 15.388 26.324 -7.418 1.00 0.00 C ATOM 962 O HIS A 63 15.986 27.248 -7.987 1.00 0.00 O ATOM 963 CB HIS A 63 16.021 24.718 -9.335 1.00 0.00 C ATOM 964 CG HIS A 63 17.412 24.375 -8.829 1.00 0.00 C ATOM 965 ND1 HIS A 63 17.852 23.082 -8.653 1.00 0.00 N ATOM 966 CD2 HIS A 63 18.467 25.167 -8.485 1.00 0.00 C ATOM 967 CE1 HIS A 63 19.098 23.092 -8.223 1.00 0.00 C ATOM 968 NE2 HIS A 63 19.495 24.340 -8.114 1.00 0.00 N ATOM 0 H HIS A 63 13.689 26.000 -9.615 1.00 0.00 H new ATOM 0 HA HIS A 63 14.916 24.221 -7.550 1.00 0.00 H new ATOM 0 HB2 HIS A 63 15.646 23.874 -9.914 1.00 0.00 H new ATOM 0 HB3 HIS A 63 16.100 25.564 -10.018 1.00 0.00 H new ATOM 0 HD2 HIS A 63 18.489 26.247 -8.502 1.00 0.00 H new ATOM 0 HE1 HIS A 63 19.694 22.220 -7.998 1.00 0.00 H new ATOM 0 HE2 HIS A 63 20.418 24.644 -7.804 1.00 0.00 H new ATOM 977 N PRO A 64 15.003 26.421 -6.099 1.00 0.00 N ATOM 978 CA PRO A 64 15.404 27.555 -5.233 1.00 0.00 C ATOM 979 C PRO A 64 16.906 27.457 -4.813 1.00 0.00 C ATOM 980 O PRO A 64 17.295 26.485 -4.120 1.00 0.00 O ATOM 981 CB PRO A 64 14.420 27.453 -4.033 1.00 0.00 C ATOM 982 CG PRO A 64 14.072 25.993 -3.943 1.00 0.00 C ATOM 983 CD PRO A 64 14.127 25.458 -5.365 1.00 0.00 C ATOM 984 OXT PRO A 64 17.695 28.348 -5.189 1.00 0.00 O ATOM 0 HA PRO A 64 15.341 28.524 -5.728 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.882 27.807 -3.111 1.00 0.00 H new ATOM 0 HB3 PRO A 64 13.531 28.062 -4.198 1.00 0.00 H new ATOM 0 HG2 PRO A 64 14.775 25.464 -3.300 1.00 0.00 H new ATOM 0 HG3 PRO A 64 13.080 25.855 -3.513 1.00 0.00 H new ATOM 0 HD2 PRO A 64 14.538 24.449 -5.393 1.00 0.00 H new ATOM 0 HD3 PRO A 64 13.133 25.410 -5.809 1.00 0.00 H new TER 992 PRO A 64 HETATM 993 ZN ZN A 65 9.541 23.723 -19.421 1.00 0.00 ZN