USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 874 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 50 THR OG1 : rot 18:sc= 1.12 USER MOD Set 1.2: A 82 THR OG1 : rot 86:sc= 2.23 USER MOD Set 1.3: A 94 LYS NZ :NH3+ -167:sc= 2.17 (180deg=0.703) USER MOD Set 2.1: A 56 THR OG1 : rot -85:sc= 0.917 USER MOD Set 2.2: A 59 GLN : amide:sc= 0.606 K(o=1.5,f=0.68) USER MOD Set 3.1: A 23 TYR OH : rot 30:sc= -0.121 USER MOD Set 3.2: A 45 GLN : amide:sc= -0.0702 K(o=-1.2,f=-2) USER MOD Set 3.3: A 66 SER OG : rot 68:sc= -0.978 USER MOD Set 4.1: A 9 ASN : amide:sc= -4.73! C(o=-3.6!,f=-7.9!) USER MOD Set 4.2: A 41 LYS NZ :NH3+ -130:sc= 1.08 (180deg=-2.02) USER MOD Set 5.1: A 1 TYR N :NH3+ -144:sc= 0.489 (180deg=0.0319) USER MOD Set 5.2: A 5 TYR OH : rot 180:sc= 0.292 USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -176:sc= 1.26 (180deg=1.13) USER MOD Single : A 7 LYS NZ :NH3+ 173:sc= 1.29 (180deg=1.12) USER MOD Single : A 11 GLN : amide:sc= -7.55! C(o=-7.6!,f=-7.9!) USER MOD Single : A 16 ASN : amide:sc= -0.626 X(o=-0.63,f=-0.16) USER MOD Single : A 17 LYS NZ :NH3+ 169:sc= -0.359 (180deg=-0.515!) USER MOD Single : A 22 SER OG : rot 180:sc= -0.125 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 155:sc= 1.22 (180deg=0.00186!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -175:sc= 1.16 (180deg=1.12) USER MOD Single : A 43 HIS : no HE2:sc= 1.12 K(o=1.1,f=-4!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 83:sc= 1.27 USER MOD Single : A 69 TYR OH : rot 180:sc= -0.0543 USER MOD Single : A 72 LYS NZ :NH3+ -127:sc= 0.61 (180deg=-0.0585) USER MOD Single : A 73 ASN : amide:sc= -1.11 X(o=-1.1,f=-1.5) USER MOD Single : A 79 LYS NZ :NH3+ 161:sc= 1.28 (180deg=1.11) USER MOD Single : A 84 HIS : no HD1:sc= -0.584 K(o=-0.58,f=0.14) USER MOD Single : A 90 LYS NZ :NH3+ -171:sc=-0.00389 (180deg=-0.11) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 30:sc= -0.143 USER MOD Single : A 100 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.203) USER MOD Single : A 102 LYS NZ :NH3+ -155:sc= 1.88 (180deg=-0.251) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 -21.051 0.188 -0.093 1.00 0.00 N ATOM 2 CA TYR A 1 -21.420 -0.370 1.197 1.00 0.00 C ATOM 3 C TYR A 1 -20.169 -0.514 2.016 1.00 0.00 C ATOM 4 O TYR A 1 -19.113 -0.031 1.608 1.00 0.00 O ATOM 5 CB TYR A 1 -22.091 -1.742 1.022 1.00 0.00 C ATOM 6 CG TYR A 1 -23.368 -1.722 0.213 1.00 0.00 C ATOM 7 CD1 TYR A 1 -24.580 -1.421 0.810 1.00 0.00 C ATOM 8 CD2 TYR A 1 -23.361 -2.012 -1.146 1.00 0.00 C ATOM 9 CE1 TYR A 1 -25.750 -1.408 0.080 1.00 0.00 C ATOM 10 CE2 TYR A 1 -24.530 -2.003 -1.883 1.00 0.00 C ATOM 11 CZ TYR A 1 -25.721 -1.698 -1.263 1.00 0.00 C ATOM 12 OH TYR A 1 -26.898 -1.692 -1.994 1.00 0.00 O ATOM 0 H1 TYR A 1 -21.798 0.834 -0.418 1.00 0.00 H new ATOM 0 H2 TYR A 1 -20.157 0.711 -0.002 1.00 0.00 H new ATOM 0 H3 TYR A 1 -20.934 -0.581 -0.783 1.00 0.00 H new ATOM 0 HA TYR A 1 -22.130 0.290 1.695 1.00 0.00 H new ATOM 0 HB2 TYR A 1 -21.384 -2.419 0.542 1.00 0.00 H new ATOM 0 HB3 TYR A 1 -22.308 -2.154 2.008 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -24.610 -1.193 1.865 1.00 0.00 H new ATOM 0 HD2 TYR A 1 -22.427 -2.248 -1.634 1.00 0.00 H new ATOM 0 HE1 TYR A 1 -26.687 -1.171 0.563 1.00 0.00 H new ATOM 0 HE2 TYR A 1 -24.510 -2.234 -2.938 1.00 0.00 H new ATOM 0 HH TYR A 1 -26.704 -1.916 -2.928 1.00 0.00 H new ATOM 24 N THR A 2 -20.285 -1.100 3.170 1.00 0.00 N ATOM 25 CA THR A 2 -19.144 -1.416 3.977 1.00 0.00 C ATOM 26 C THR A 2 -18.635 -2.788 3.514 1.00 0.00 C ATOM 27 O THR A 2 -19.444 -3.594 2.999 1.00 0.00 O ATOM 28 CB THR A 2 -19.559 -1.435 5.467 1.00 0.00 C ATOM 29 OG1 THR A 2 -20.170 -0.169 5.793 1.00 0.00 O ATOM 30 CG2 THR A 2 -18.369 -1.657 6.377 1.00 0.00 C ATOM 0 H THR A 2 -21.178 -1.374 3.580 1.00 0.00 H new ATOM 0 HA THR A 2 -18.352 -0.675 3.871 1.00 0.00 H new ATOM 0 HB THR A 2 -20.258 -2.258 5.618 1.00 0.00 H new ATOM 0 HG1 THR A 2 -20.439 -0.169 6.735 1.00 0.00 H new ATOM 0 HG21 THR A 2 -18.701 -1.664 7.415 1.00 0.00 H new ATOM 0 HG22 THR A 2 -17.902 -2.613 6.139 1.00 0.00 H new ATOM 0 HG23 THR A 2 -17.646 -0.854 6.233 1.00 0.00 H new ATOM 38 N ASP A 3 -17.329 -3.033 3.659 1.00 0.00 N ATOM 39 CA ASP A 3 -16.659 -4.260 3.189 1.00 0.00 C ATOM 40 C ASP A 3 -16.382 -4.183 1.695 1.00 0.00 C ATOM 41 O ASP A 3 -17.263 -4.424 0.854 1.00 0.00 O ATOM 42 CB ASP A 3 -17.384 -5.569 3.618 1.00 0.00 C ATOM 43 CG ASP A 3 -16.906 -6.813 2.891 1.00 0.00 C ATOM 44 OD1 ASP A 3 -15.792 -7.309 3.164 1.00 0.00 O ATOM 45 OD2 ASP A 3 -17.675 -7.369 2.069 1.00 0.00 O ATOM 0 H ASP A 3 -16.693 -2.377 4.113 1.00 0.00 H new ATOM 0 HA ASP A 3 -15.695 -4.314 3.695 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -17.246 -5.713 4.690 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -18.454 -5.451 3.447 1.00 0.00 H new ATOM 50 N LYS A 4 -15.159 -3.738 1.406 1.00 0.00 N ATOM 51 CA LYS A 4 -14.583 -3.513 0.057 1.00 0.00 C ATOM 52 C LYS A 4 -14.876 -2.139 -0.418 1.00 0.00 C ATOM 53 O LYS A 4 -15.996 -1.654 -0.273 1.00 0.00 O ATOM 54 CB LYS A 4 -14.898 -4.540 -1.080 1.00 0.00 C ATOM 55 CG LYS A 4 -14.253 -5.919 -0.974 1.00 0.00 C ATOM 56 CD LYS A 4 -14.956 -6.749 0.031 1.00 0.00 C ATOM 57 CE LYS A 4 -14.450 -8.174 0.093 1.00 0.00 C ATOM 58 NZ LYS A 4 -15.234 -8.970 1.061 1.00 0.00 N ATOM 0 H LYS A 4 -14.494 -3.507 2.144 1.00 0.00 H new ATOM 0 HA LYS A 4 -13.521 -3.673 0.243 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -15.979 -4.675 -1.123 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.594 -4.097 -2.029 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -14.279 -6.414 -1.945 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -13.204 -5.815 -0.698 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.845 -6.289 1.013 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -16.022 -6.759 -0.198 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -14.513 -8.630 -0.895 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.398 -8.179 0.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.827 -9.924 1.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -15.208 -8.508 1.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -16.220 -9.039 0.736 1.00 0.00 H new ATOM 72 N TYR A 5 -13.813 -1.481 -0.893 1.00 0.00 N ATOM 73 CA TYR A 5 -13.775 -0.109 -1.445 1.00 0.00 C ATOM 74 C TYR A 5 -14.107 0.956 -0.413 1.00 0.00 C ATOM 75 O TYR A 5 -13.780 2.101 -0.581 1.00 0.00 O ATOM 76 CB TYR A 5 -14.531 0.098 -2.810 1.00 0.00 C ATOM 77 CG TYR A 5 -16.039 -0.130 -2.802 1.00 0.00 C ATOM 78 CD1 TYR A 5 -16.913 0.829 -2.295 1.00 0.00 C ATOM 79 CD2 TYR A 5 -16.581 -1.321 -3.281 1.00 0.00 C ATOM 80 CE1 TYR A 5 -18.275 0.606 -2.267 1.00 0.00 C ATOM 81 CE2 TYR A 5 -17.939 -1.552 -3.253 1.00 0.00 C ATOM 82 CZ TYR A 5 -18.785 -0.586 -2.744 1.00 0.00 C ATOM 83 OH TYR A 5 -20.151 -0.813 -2.710 1.00 0.00 O ATOM 0 H TYR A 5 -12.891 -1.916 -0.906 1.00 0.00 H new ATOM 0 HA TYR A 5 -12.727 0.029 -1.713 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -14.343 1.116 -3.152 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -14.090 -0.572 -3.548 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -16.519 1.761 -1.918 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -15.924 -2.078 -3.682 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -18.940 1.361 -1.874 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -18.340 -2.483 -3.627 1.00 0.00 H new ATOM 0 HH TYR A 5 -20.345 -1.698 -3.084 1.00 0.00 H new ATOM 93 N ASP A 6 -14.620 0.548 0.683 1.00 0.00 N ATOM 94 CA ASP A 6 -15.052 1.425 1.720 1.00 0.00 C ATOM 95 C ASP A 6 -13.872 1.970 2.534 1.00 0.00 C ATOM 96 O ASP A 6 -13.438 3.080 2.318 1.00 0.00 O ATOM 97 CB ASP A 6 -16.087 0.702 2.624 1.00 0.00 C ATOM 98 CG ASP A 6 -15.530 -0.497 3.396 1.00 0.00 C ATOM 99 OD1 ASP A 6 -14.642 -1.218 2.857 1.00 0.00 O ATOM 100 OD2 ASP A 6 -15.940 -0.709 4.542 1.00 0.00 O ATOM 0 H ASP A 6 -14.759 -0.439 0.899 1.00 0.00 H new ATOM 0 HA ASP A 6 -15.535 2.288 1.262 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -16.492 1.420 3.337 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -16.918 0.365 2.005 1.00 0.00 H new ATOM 105 N LYS A 7 -13.248 1.127 3.294 1.00 0.00 N ATOM 106 CA LYS A 7 -12.319 1.540 4.326 1.00 0.00 C ATOM 107 C LYS A 7 -11.697 0.304 4.937 1.00 0.00 C ATOM 108 O LYS A 7 -10.517 0.004 4.708 1.00 0.00 O ATOM 109 CB LYS A 7 -13.093 2.285 5.440 1.00 0.00 C ATOM 110 CG LYS A 7 -12.242 2.717 6.648 1.00 0.00 C ATOM 111 CD LYS A 7 -13.103 3.288 7.770 1.00 0.00 C ATOM 112 CE LYS A 7 -12.293 3.594 9.038 1.00 0.00 C ATOM 113 NZ LYS A 7 -11.199 4.584 8.825 1.00 0.00 N ATOM 0 H LYS A 7 -13.363 0.116 3.223 1.00 0.00 H new ATOM 0 HA LYS A 7 -11.556 2.189 3.896 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -13.559 3.171 5.008 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -13.899 1.642 5.794 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -11.679 1.861 7.021 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -11.514 3.464 6.332 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.587 4.201 7.423 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.895 2.580 8.012 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -12.967 3.971 9.807 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.863 2.667 9.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.772 4.832 9.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.473 4.171 8.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.587 5.440 8.381 1.00 0.00 H new ATOM 127 N ILE A 8 -12.529 -0.467 5.626 1.00 0.00 N ATOM 128 CA ILE A 8 -12.097 -1.647 6.341 1.00 0.00 C ATOM 129 C ILE A 8 -11.997 -2.827 5.393 1.00 0.00 C ATOM 130 O ILE A 8 -12.808 -3.764 5.388 1.00 0.00 O ATOM 131 CB ILE A 8 -12.985 -1.960 7.580 1.00 0.00 C ATOM 132 CG1 ILE A 8 -14.480 -2.022 7.203 1.00 0.00 C ATOM 133 CG2 ILE A 8 -12.748 -0.920 8.669 1.00 0.00 C ATOM 134 CD1 ILE A 8 -15.388 -2.438 8.345 1.00 0.00 C ATOM 0 H ILE A 8 -13.530 -0.284 5.701 1.00 0.00 H new ATOM 0 HA ILE A 8 -11.103 -1.446 6.741 1.00 0.00 H new ATOM 0 HB ILE A 8 -12.702 -2.942 7.960 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -14.794 -1.043 6.841 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -14.607 -2.723 6.378 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.374 -1.148 9.532 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.700 -0.937 8.967 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -13.001 0.070 8.288 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -16.422 -2.457 7.999 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -15.103 -3.431 8.693 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -15.293 -1.725 9.164 1.00 0.00 H new ATOM 146 N ASN A 9 -11.025 -2.724 4.547 1.00 0.00 N ATOM 147 CA ASN A 9 -10.838 -3.654 3.487 1.00 0.00 C ATOM 148 C ASN A 9 -9.373 -3.622 3.000 1.00 0.00 C ATOM 149 O ASN A 9 -9.059 -4.230 2.019 1.00 0.00 O ATOM 150 CB ASN A 9 -11.763 -3.232 2.303 1.00 0.00 C ATOM 151 CG ASN A 9 -11.226 -2.020 1.497 1.00 0.00 C ATOM 152 OD1 ASN A 9 -11.460 -1.901 0.314 1.00 0.00 O ATOM 153 ND2 ASN A 9 -10.610 -1.074 2.123 1.00 0.00 N ATOM 0 H ASN A 9 -10.329 -1.979 4.575 1.00 0.00 H new ATOM 0 HA ASN A 9 -11.077 -4.658 3.837 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.886 -4.080 1.629 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.751 -2.989 2.694 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.324 -0.233 1.622 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.410 -1.167 3.119 1.00 0.00 H new ATOM 160 N LEU A 10 -8.487 -2.929 3.727 1.00 0.00 N ATOM 161 CA LEU A 10 -7.099 -2.649 3.248 1.00 0.00 C ATOM 162 C LEU A 10 -6.358 -3.912 2.887 1.00 0.00 C ATOM 163 O LEU A 10 -5.755 -4.018 1.824 1.00 0.00 O ATOM 164 CB LEU A 10 -6.311 -1.919 4.322 1.00 0.00 C ATOM 165 CG LEU A 10 -6.896 -0.606 4.783 1.00 0.00 C ATOM 166 CD1 LEU A 10 -6.323 -0.246 6.125 1.00 0.00 C ATOM 167 CD2 LEU A 10 -6.574 0.472 3.773 1.00 0.00 C ATOM 0 H LEU A 10 -8.693 -2.546 4.650 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.191 -2.032 2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.214 -2.576 5.186 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.304 -1.736 3.947 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.979 -0.697 4.872 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.745 0.702 6.458 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.568 -1.026 6.846 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.240 -0.153 6.045 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.996 1.420 4.106 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -5.493 0.570 3.678 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.001 0.204 2.806 1.00 0.00 H new ATOM 179 N GLN A 11 -6.447 -4.855 3.760 1.00 0.00 N ATOM 180 CA GLN A 11 -5.780 -6.110 3.621 1.00 0.00 C ATOM 181 C GLN A 11 -6.679 -7.063 2.868 1.00 0.00 C ATOM 182 O GLN A 11 -6.205 -7.959 2.157 1.00 0.00 O ATOM 183 CB GLN A 11 -5.442 -6.644 5.007 1.00 0.00 C ATOM 184 CG GLN A 11 -4.495 -7.828 5.043 1.00 0.00 C ATOM 185 CD GLN A 11 -3.148 -7.551 4.379 1.00 0.00 C ATOM 186 OE1 GLN A 11 -2.504 -8.456 3.906 1.00 0.00 O ATOM 187 NE2 GLN A 11 -2.749 -6.288 4.285 1.00 0.00 N ATOM 0 H GLN A 11 -6.999 -4.776 4.614 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.853 -5.997 3.059 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -5.005 -5.834 5.591 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.370 -6.929 5.502 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.327 -8.117 6.080 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -4.968 -8.676 4.548 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.313 -5.543 4.694 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.878 -6.063 3.804 1.00 0.00 H new ATOM 196 N GLU A 12 -7.993 -6.811 2.971 1.00 0.00 N ATOM 197 CA GLU A 12 -8.996 -7.697 2.382 1.00 0.00 C ATOM 198 C GLU A 12 -8.846 -7.634 0.882 1.00 0.00 C ATOM 199 O GLU A 12 -8.880 -8.632 0.170 1.00 0.00 O ATOM 200 CB GLU A 12 -10.391 -7.203 2.788 1.00 0.00 C ATOM 201 CG GLU A 12 -11.548 -7.992 2.205 1.00 0.00 C ATOM 202 CD GLU A 12 -11.616 -9.405 2.716 1.00 0.00 C ATOM 203 OE1 GLU A 12 -10.893 -10.273 2.220 1.00 0.00 O ATOM 204 OE2 GLU A 12 -12.406 -9.670 3.633 1.00 0.00 O ATOM 0 H GLU A 12 -8.380 -6.002 3.456 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.865 -8.722 2.728 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.466 -7.228 3.875 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.493 -6.161 2.485 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -12.482 -7.482 2.439 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.458 -8.009 1.119 1.00 0.00 H new ATOM 211 N ILE A 13 -8.646 -6.438 0.449 1.00 0.00 N ATOM 212 CA ILE A 13 -8.453 -6.107 -0.899 1.00 0.00 C ATOM 213 C ILE A 13 -7.115 -6.594 -1.400 1.00 0.00 C ATOM 214 O ILE A 13 -7.052 -7.306 -2.394 1.00 0.00 O ATOM 215 CB ILE A 13 -8.523 -4.598 -1.052 1.00 0.00 C ATOM 216 CG1 ILE A 13 -9.929 -4.090 -0.831 1.00 0.00 C ATOM 217 CG2 ILE A 13 -8.008 -4.174 -2.354 1.00 0.00 C ATOM 218 CD1 ILE A 13 -10.968 -4.670 -1.732 1.00 0.00 C ATOM 0 H ILE A 13 -8.613 -5.629 1.069 1.00 0.00 H new ATOM 0 HA ILE A 13 -9.233 -6.590 -1.487 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.887 -4.158 -0.284 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -10.213 -4.294 0.201 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -9.929 -3.007 -0.954 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -8.071 -3.089 -2.434 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.968 -4.485 -2.453 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -8.601 -4.631 -3.146 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -11.940 -4.240 -1.491 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -10.718 -4.444 -2.769 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -11.006 -5.751 -1.595 1.00 0.00 H new ATOM 230 N LEU A 14 -6.057 -6.191 -0.691 1.00 0.00 N ATOM 231 CA LEU A 14 -4.680 -6.490 -1.037 1.00 0.00 C ATOM 232 C LEU A 14 -4.440 -7.970 -1.371 1.00 0.00 C ATOM 233 O LEU A 14 -3.574 -8.298 -2.192 1.00 0.00 O ATOM 234 CB LEU A 14 -3.806 -6.069 0.116 1.00 0.00 C ATOM 235 CG LEU A 14 -2.317 -6.125 -0.106 1.00 0.00 C ATOM 236 CD1 LEU A 14 -1.901 -5.154 -1.202 1.00 0.00 C ATOM 237 CD2 LEU A 14 -1.627 -5.809 1.184 1.00 0.00 C ATOM 0 H LEU A 14 -6.145 -5.634 0.159 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.434 -5.938 -1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.071 -5.047 0.388 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.046 -6.699 0.972 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.030 -7.125 -0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.822 -5.210 -1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.406 -5.416 -2.132 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.176 -4.140 -0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.547 -5.846 1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.914 -4.811 1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.916 -6.539 1.940 1.00 0.00 H new ATOM 249 N GLU A 15 -5.201 -8.840 -0.746 1.00 0.00 N ATOM 250 CA GLU A 15 -5.094 -10.254 -0.976 1.00 0.00 C ATOM 251 C GLU A 15 -5.450 -10.674 -2.439 1.00 0.00 C ATOM 252 O GLU A 15 -4.892 -11.646 -2.977 1.00 0.00 O ATOM 253 CB GLU A 15 -5.890 -11.018 0.091 1.00 0.00 C ATOM 254 CG GLU A 15 -5.956 -12.523 -0.117 1.00 0.00 C ATOM 255 CD GLU A 15 -6.757 -13.230 0.939 1.00 0.00 C ATOM 256 OE1 GLU A 15 -7.983 -13.054 0.989 1.00 0.00 O ATOM 257 OE2 GLU A 15 -6.183 -14.018 1.711 1.00 0.00 O ATOM 0 H GLU A 15 -5.912 -8.581 -0.063 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.045 -10.532 -0.873 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.446 -10.820 1.067 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.906 -10.624 0.117 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.392 -12.730 -1.094 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.944 -12.927 -0.128 1.00 0.00 H new ATOM 264 N ASN A 16 -6.296 -9.922 -3.107 1.00 0.00 N ATOM 265 CA ASN A 16 -6.708 -10.300 -4.450 1.00 0.00 C ATOM 266 C ASN A 16 -6.544 -9.174 -5.425 1.00 0.00 C ATOM 267 O ASN A 16 -7.018 -8.088 -5.178 1.00 0.00 O ATOM 268 CB ASN A 16 -8.152 -10.790 -4.484 1.00 0.00 C ATOM 269 CG ASN A 16 -8.354 -12.105 -3.781 1.00 0.00 C ATOM 270 OD1 ASN A 16 -8.210 -13.168 -4.378 1.00 0.00 O ATOM 271 ND2 ASN A 16 -8.720 -12.047 -2.541 1.00 0.00 N ATOM 0 H ASN A 16 -6.709 -9.059 -2.754 1.00 0.00 H new ATOM 0 HA ASN A 16 -6.051 -11.118 -4.747 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -8.794 -10.038 -4.024 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -8.470 -10.889 -5.522 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -8.901 -12.906 -2.022 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.828 -11.142 -2.083 1.00 0.00 H new ATOM 278 N LYS A 17 -5.898 -9.444 -6.570 1.00 0.00 N ATOM 279 CA LYS A 17 -5.712 -8.411 -7.624 1.00 0.00 C ATOM 280 C LYS A 17 -7.060 -7.801 -8.056 1.00 0.00 C ATOM 281 O LYS A 17 -7.181 -6.607 -8.255 1.00 0.00 O ATOM 282 CB LYS A 17 -4.930 -8.928 -8.874 1.00 0.00 C ATOM 283 CG LYS A 17 -5.600 -10.034 -9.701 1.00 0.00 C ATOM 284 CD LYS A 17 -5.478 -11.453 -9.117 1.00 0.00 C ATOM 285 CE LYS A 17 -4.103 -12.108 -9.391 1.00 0.00 C ATOM 286 NZ LYS A 17 -3.033 -11.718 -8.441 1.00 0.00 N ATOM 0 H LYS A 17 -5.497 -10.354 -6.797 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.097 -7.636 -7.166 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.741 -8.079 -9.531 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.959 -9.294 -8.540 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.657 -9.793 -9.811 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.166 -10.031 -10.701 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.646 -11.412 -8.041 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.263 -12.081 -9.538 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.219 -13.191 -9.362 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.786 -11.848 -10.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.206 -12.334 -8.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.760 -10.729 -8.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.381 -11.817 -7.466 1.00 0.00 H new ATOM 300 N ARG A 18 -8.064 -8.641 -8.133 1.00 0.00 N ATOM 301 CA ARG A 18 -9.414 -8.224 -8.488 1.00 0.00 C ATOM 302 C ARG A 18 -10.058 -7.375 -7.385 1.00 0.00 C ATOM 303 O ARG A 18 -10.785 -6.401 -7.653 1.00 0.00 O ATOM 304 CB ARG A 18 -10.318 -9.418 -8.897 1.00 0.00 C ATOM 305 CG ARG A 18 -10.401 -10.623 -7.926 1.00 0.00 C ATOM 306 CD ARG A 18 -9.153 -11.522 -7.977 1.00 0.00 C ATOM 307 NE ARG A 18 -9.353 -12.779 -7.270 1.00 0.00 N ATOM 308 CZ ARG A 18 -8.884 -13.971 -7.686 1.00 0.00 C ATOM 309 NH1 ARG A 18 -8.311 -14.091 -8.889 1.00 0.00 N ATOM 310 NH2 ARG A 18 -9.027 -15.031 -6.926 1.00 0.00 N ATOM 0 H ARG A 18 -7.975 -9.641 -7.951 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.319 -7.591 -9.370 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.328 -9.038 -9.047 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -9.970 -9.788 -9.862 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.536 -10.255 -6.909 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.281 -11.218 -8.169 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.898 -11.728 -9.016 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.307 -10.992 -7.540 1.00 0.00 H new ATOM 0 HE ARG A 18 -9.885 -12.755 -6.400 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -8.227 -13.277 -9.497 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.958 -14.997 -9.198 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.493 -14.951 -6.022 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.673 -15.935 -7.239 1.00 0.00 H new ATOM 324 N LEU A 19 -9.751 -7.691 -6.148 1.00 0.00 N ATOM 325 CA LEU A 19 -10.256 -6.902 -5.068 1.00 0.00 C ATOM 326 C LEU A 19 -9.485 -5.603 -4.994 1.00 0.00 C ATOM 327 O LEU A 19 -10.017 -4.581 -4.582 1.00 0.00 O ATOM 328 CB LEU A 19 -10.227 -7.642 -3.732 1.00 0.00 C ATOM 329 CG LEU A 19 -11.139 -8.865 -3.605 1.00 0.00 C ATOM 330 CD1 LEU A 19 -11.075 -9.418 -2.204 1.00 0.00 C ATOM 331 CD2 LEU A 19 -12.570 -8.510 -3.950 1.00 0.00 C ATOM 0 H LEU A 19 -9.162 -8.478 -5.875 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.306 -6.691 -5.268 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.202 -7.960 -3.541 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.493 -6.936 -2.946 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.790 -9.622 -4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.728 -10.287 -2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.051 -9.712 -1.975 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -11.400 -8.655 -1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -13.198 -9.395 -3.852 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.927 -7.735 -3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -12.617 -8.143 -4.975 1.00 0.00 H new ATOM 343 N LEU A 20 -8.247 -5.631 -5.469 1.00 0.00 N ATOM 344 CA LEU A 20 -7.392 -4.457 -5.490 1.00 0.00 C ATOM 345 C LEU A 20 -8.062 -3.448 -6.393 1.00 0.00 C ATOM 346 O LEU A 20 -8.239 -2.275 -6.037 1.00 0.00 O ATOM 347 CB LEU A 20 -5.993 -4.843 -5.990 1.00 0.00 C ATOM 348 CG LEU A 20 -4.820 -4.020 -5.461 1.00 0.00 C ATOM 349 CD1 LEU A 20 -4.733 -4.159 -3.950 1.00 0.00 C ATOM 350 CD2 LEU A 20 -3.531 -4.502 -6.081 1.00 0.00 C ATOM 0 H LEU A 20 -7.809 -6.470 -5.850 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.260 -4.029 -4.496 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.817 -5.888 -5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.991 -4.777 -7.078 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.978 -2.974 -5.722 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.895 -3.570 -3.578 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.658 -3.800 -3.498 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.584 -5.207 -3.689 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.700 -3.910 -5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.376 -5.551 -5.829 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.585 -4.394 -7.164 1.00 0.00 H new ATOM 362 N GLU A 21 -8.540 -3.965 -7.507 1.00 0.00 N ATOM 363 CA GLU A 21 -9.328 -3.229 -8.456 1.00 0.00 C ATOM 364 C GLU A 21 -10.608 -2.680 -7.804 1.00 0.00 C ATOM 365 O GLU A 21 -11.095 -1.612 -8.180 1.00 0.00 O ATOM 366 CB GLU A 21 -9.668 -4.131 -9.623 1.00 0.00 C ATOM 367 CG GLU A 21 -8.463 -4.552 -10.437 1.00 0.00 C ATOM 368 CD GLU A 21 -7.802 -3.392 -11.130 1.00 0.00 C ATOM 369 OE1 GLU A 21 -8.187 -3.078 -12.271 1.00 0.00 O ATOM 370 OE2 GLU A 21 -6.888 -2.769 -10.568 1.00 0.00 O ATOM 0 H GLU A 21 -8.383 -4.936 -7.778 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.751 -2.376 -8.812 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.171 -5.022 -9.248 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.374 -3.617 -10.275 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.740 -5.041 -9.784 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.770 -5.288 -11.180 1.00 0.00 H new ATOM 377 N SER A 22 -11.137 -3.401 -6.814 1.00 0.00 N ATOM 378 CA SER A 22 -12.308 -2.939 -6.087 1.00 0.00 C ATOM 379 C SER A 22 -12.027 -1.637 -5.271 1.00 0.00 C ATOM 380 O SER A 22 -12.857 -0.747 -5.274 1.00 0.00 O ATOM 381 CB SER A 22 -12.936 -4.055 -5.210 1.00 0.00 C ATOM 382 OG SER A 22 -13.148 -5.239 -5.983 1.00 0.00 O ATOM 0 H SER A 22 -10.772 -4.301 -6.503 1.00 0.00 H new ATOM 0 HA SER A 22 -13.052 -2.678 -6.840 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.280 -4.276 -4.368 1.00 0.00 H new ATOM 0 HB3 SER A 22 -13.883 -3.710 -4.795 1.00 0.00 H new ATOM 0 HG SER A 22 -13.543 -5.934 -5.416 1.00 0.00 H new ATOM 388 N TYR A 23 -10.856 -1.492 -4.600 1.00 0.00 N ATOM 389 CA TYR A 23 -10.612 -0.193 -3.900 1.00 0.00 C ATOM 390 C TYR A 23 -9.610 0.691 -4.682 1.00 0.00 C ATOM 391 O TYR A 23 -9.070 1.684 -4.175 1.00 0.00 O ATOM 392 CB TYR A 23 -10.256 -0.304 -2.348 1.00 0.00 C ATOM 393 CG TYR A 23 -8.808 -0.611 -1.916 1.00 0.00 C ATOM 394 CD1 TYR A 23 -7.810 -0.994 -2.802 1.00 0.00 C ATOM 395 CD2 TYR A 23 -8.463 -0.478 -0.575 1.00 0.00 C ATOM 396 CE1 TYR A 23 -6.522 -1.246 -2.358 1.00 0.00 C ATOM 397 CE2 TYR A 23 -7.189 -0.723 -0.115 1.00 0.00 C ATOM 398 CZ TYR A 23 -6.217 -1.114 -1.020 1.00 0.00 C ATOM 399 OH TYR A 23 -4.952 -1.386 -0.591 1.00 0.00 O ATOM 0 H TYR A 23 -10.117 -2.191 -4.526 1.00 0.00 H new ATOM 0 HA TYR A 23 -11.579 0.309 -3.899 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -10.543 0.638 -1.880 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -10.894 -1.079 -1.922 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -8.041 -1.097 -3.852 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -9.222 -0.172 0.130 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -5.757 -1.546 -3.060 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.952 -0.612 0.933 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.314 -1.190 -1.308 1.00 0.00 H new ATOM 409 N MET A 24 -9.403 0.337 -5.921 1.00 0.00 N ATOM 410 CA MET A 24 -8.510 1.073 -6.823 1.00 0.00 C ATOM 411 C MET A 24 -8.852 2.552 -7.003 1.00 0.00 C ATOM 412 O MET A 24 -8.013 3.313 -7.434 1.00 0.00 O ATOM 413 CB MET A 24 -8.343 0.390 -8.164 1.00 0.00 C ATOM 414 CG MET A 24 -7.092 -0.462 -8.270 1.00 0.00 C ATOM 415 SD MET A 24 -5.586 0.521 -8.145 1.00 0.00 S ATOM 416 CE MET A 24 -4.340 -0.760 -8.323 1.00 0.00 C ATOM 0 H MET A 24 -9.845 -0.475 -6.352 1.00 0.00 H new ATOM 0 HA MET A 24 -7.550 1.053 -6.306 1.00 0.00 H new ATOM 0 HB2 MET A 24 -9.214 -0.237 -8.352 1.00 0.00 H new ATOM 0 HB3 MET A 24 -8.321 1.148 -8.947 1.00 0.00 H new ATOM 0 HG2 MET A 24 -7.099 -1.215 -7.481 1.00 0.00 H new ATOM 0 HG3 MET A 24 -7.098 -0.996 -9.220 1.00 0.00 H new ATOM 0 HE1 MET A 24 -3.348 -0.313 -8.268 1.00 0.00 H new ATOM 0 HE2 MET A 24 -4.453 -1.492 -7.523 1.00 0.00 H new ATOM 0 HE3 MET A 24 -4.462 -1.255 -9.287 1.00 0.00 H new ATOM 426 N ASP A 25 -10.082 2.943 -6.745 1.00 0.00 N ATOM 427 CA ASP A 25 -10.471 4.368 -6.784 1.00 0.00 C ATOM 428 C ASP A 25 -9.697 5.186 -5.802 1.00 0.00 C ATOM 429 O ASP A 25 -9.178 6.239 -6.116 1.00 0.00 O ATOM 430 CB ASP A 25 -11.929 4.542 -6.471 1.00 0.00 C ATOM 431 CG ASP A 25 -12.293 5.987 -6.141 1.00 0.00 C ATOM 432 OD1 ASP A 25 -12.244 6.860 -7.026 1.00 0.00 O ATOM 433 OD2 ASP A 25 -12.640 6.266 -4.975 1.00 0.00 O ATOM 0 H ASP A 25 -10.842 2.307 -6.504 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.256 4.710 -7.796 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.521 4.208 -7.323 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.194 3.903 -5.628 1.00 0.00 H new ATOM 438 N CYS A 26 -9.634 4.710 -4.638 1.00 0.00 N ATOM 439 CA CYS A 26 -9.001 5.422 -3.604 1.00 0.00 C ATOM 440 C CYS A 26 -7.495 5.289 -3.648 1.00 0.00 C ATOM 441 O CYS A 26 -6.781 6.177 -3.179 1.00 0.00 O ATOM 442 CB CYS A 26 -9.631 5.088 -2.263 1.00 0.00 C ATOM 443 SG CYS A 26 -10.171 3.351 -2.082 1.00 0.00 S ATOM 0 H CYS A 26 -10.021 3.807 -4.362 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.172 6.487 -3.759 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -8.914 5.315 -1.474 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.491 5.739 -2.109 1.00 0.00 H new ATOM 448 N VAL A 27 -7.000 4.175 -4.172 1.00 0.00 N ATOM 449 CA VAL A 27 -5.570 4.051 -4.343 1.00 0.00 C ATOM 450 C VAL A 27 -5.070 4.748 -5.634 1.00 0.00 C ATOM 451 O VAL A 27 -4.209 5.621 -5.570 1.00 0.00 O ATOM 452 CB VAL A 27 -5.111 2.571 -4.302 1.00 0.00 C ATOM 453 CG1 VAL A 27 -3.602 2.449 -4.521 1.00 0.00 C ATOM 454 CG2 VAL A 27 -5.488 1.961 -2.968 1.00 0.00 C ATOM 0 H VAL A 27 -7.551 3.372 -4.475 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.115 4.566 -3.497 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.612 2.035 -5.109 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.313 1.399 -4.486 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.341 2.865 -5.494 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.075 2.996 -3.739 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.165 0.920 -2.940 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.001 2.514 -2.165 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.569 2.009 -2.838 1.00 0.00 H new ATOM 464 N LEU A 28 -5.620 4.383 -6.797 1.00 0.00 N ATOM 465 CA LEU A 28 -5.147 4.976 -8.046 1.00 0.00 C ATOM 466 C LEU A 28 -6.127 6.013 -8.605 1.00 0.00 C ATOM 467 O LEU A 28 -5.727 7.040 -9.137 1.00 0.00 O ATOM 468 CB LEU A 28 -4.857 3.882 -9.083 1.00 0.00 C ATOM 469 CG LEU A 28 -4.227 4.338 -10.406 1.00 0.00 C ATOM 470 CD1 LEU A 28 -2.856 4.961 -10.173 1.00 0.00 C ATOM 471 CD2 LEU A 28 -4.122 3.175 -11.374 1.00 0.00 C ATOM 0 H LEU A 28 -6.371 3.700 -6.897 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.220 5.505 -7.824 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.195 3.147 -8.626 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.793 3.371 -9.310 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.875 5.098 -10.843 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.432 5.275 -11.127 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.956 5.826 -9.518 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.197 4.228 -9.707 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.673 3.517 -12.306 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.500 2.393 -10.937 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.117 2.778 -11.575 1.00 0.00 H new ATOM 483 N GLY A 29 -7.398 5.761 -8.425 1.00 0.00 N ATOM 484 CA GLY A 29 -8.429 6.632 -8.967 1.00 0.00 C ATOM 485 C GLY A 29 -9.248 5.951 -10.056 1.00 0.00 C ATOM 486 O GLY A 29 -9.567 6.561 -11.063 1.00 0.00 O ATOM 0 H GLY A 29 -7.753 4.958 -7.906 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.092 6.951 -8.163 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.965 7.531 -9.373 1.00 0.00 H new ATOM 490 N LYS A 30 -9.580 4.676 -9.864 1.00 0.00 N ATOM 491 CA LYS A 30 -10.334 3.939 -10.878 1.00 0.00 C ATOM 492 C LYS A 30 -11.863 3.998 -10.679 1.00 0.00 C ATOM 493 O LYS A 30 -12.569 4.644 -11.459 1.00 0.00 O ATOM 494 CB LYS A 30 -9.888 2.479 -10.969 1.00 0.00 C ATOM 495 CG LYS A 30 -8.422 2.277 -11.300 1.00 0.00 C ATOM 496 CD LYS A 30 -8.148 0.814 -11.655 1.00 0.00 C ATOM 497 CE LYS A 30 -6.683 0.566 -11.974 1.00 0.00 C ATOM 498 NZ LYS A 30 -6.437 -0.834 -12.375 1.00 0.00 N ATOM 0 H LYS A 30 -9.344 4.138 -9.030 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.108 4.446 -11.816 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -10.101 1.990 -10.019 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.489 1.978 -11.728 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.140 2.919 -12.135 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.807 2.572 -10.450 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.450 0.177 -10.823 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.758 0.529 -12.512 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.368 1.234 -12.775 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.076 0.806 -11.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.585 -0.880 -12.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.300 -1.419 -11.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.253 -1.190 -12.912 1.00 0.00 H new ATOM 512 N GLY A 31 -12.364 3.333 -9.643 1.00 0.00 N ATOM 513 CA GLY A 31 -13.823 3.223 -9.456 1.00 0.00 C ATOM 514 C GLY A 31 -14.402 4.246 -8.500 1.00 0.00 C ATOM 515 O GLY A 31 -14.391 5.444 -8.785 1.00 0.00 O ATOM 0 H GLY A 31 -11.803 2.868 -8.929 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -14.312 3.329 -10.424 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -14.057 2.224 -9.088 1.00 0.00 H new ATOM 519 N LYS A 32 -14.903 3.777 -7.362 1.00 0.00 N ATOM 520 CA LYS A 32 -15.458 4.646 -6.332 1.00 0.00 C ATOM 521 C LYS A 32 -15.366 4.024 -4.923 1.00 0.00 C ATOM 522 O LYS A 32 -15.930 2.955 -4.652 1.00 0.00 O ATOM 523 CB LYS A 32 -16.903 5.073 -6.647 1.00 0.00 C ATOM 524 CG LYS A 32 -17.871 3.924 -6.901 1.00 0.00 C ATOM 525 CD LYS A 32 -19.305 4.413 -7.086 1.00 0.00 C ATOM 526 CE LYS A 32 -19.890 5.000 -5.798 1.00 0.00 C ATOM 527 NZ LYS A 32 -21.264 5.509 -5.993 1.00 0.00 N ATOM 0 H LYS A 32 -14.935 2.785 -7.128 1.00 0.00 H new ATOM 0 HA LYS A 32 -14.839 5.543 -6.334 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -17.280 5.669 -5.816 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -16.892 5.720 -7.524 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -17.558 3.376 -7.790 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -17.831 3.225 -6.065 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -19.330 5.169 -7.871 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -19.929 3.584 -7.421 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -19.894 4.236 -5.021 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -19.251 5.809 -5.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -21.621 5.897 -5.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -21.258 6.257 -6.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -21.881 4.732 -6.304 1.00 0.00 H new ATOM 541 N CYS A 33 -14.585 4.651 -4.084 1.00 0.00 N ATOM 542 CA CYS A 33 -14.495 4.338 -2.670 1.00 0.00 C ATOM 543 C CYS A 33 -15.240 5.437 -1.921 1.00 0.00 C ATOM 544 O CYS A 33 -15.702 6.400 -2.543 1.00 0.00 O ATOM 545 CB CYS A 33 -13.021 4.344 -2.205 1.00 0.00 C ATOM 546 SG CYS A 33 -11.918 3.218 -3.113 1.00 0.00 S ATOM 0 H CYS A 33 -13.974 5.417 -4.367 1.00 0.00 H new ATOM 0 HA CYS A 33 -14.918 3.352 -2.479 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -12.632 5.358 -2.295 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -12.989 4.083 -1.147 1.00 0.00 H new ATOM 551 N THR A 34 -15.368 5.322 -0.621 1.00 0.00 N ATOM 552 CA THR A 34 -15.981 6.374 0.154 1.00 0.00 C ATOM 553 C THR A 34 -14.902 7.404 0.508 1.00 0.00 C ATOM 554 O THR A 34 -13.717 7.042 0.534 1.00 0.00 O ATOM 555 CB THR A 34 -16.610 5.799 1.440 1.00 0.00 C ATOM 556 OG1 THR A 34 -15.612 5.085 2.180 1.00 0.00 O ATOM 557 CG2 THR A 34 -17.749 4.859 1.096 1.00 0.00 C ATOM 0 H THR A 34 -15.058 4.515 -0.080 1.00 0.00 H new ATOM 0 HA THR A 34 -16.774 6.847 -0.426 1.00 0.00 H new ATOM 0 HB THR A 34 -16.999 6.621 2.040 1.00 0.00 H new ATOM 0 HG1 THR A 34 -16.010 4.720 2.998 1.00 0.00 H new ATOM 0 HG21 THR A 34 -18.182 4.461 2.014 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.513 5.402 0.539 1.00 0.00 H new ATOM 0 HG23 THR A 34 -17.371 4.037 0.488 1.00 0.00 H new ATOM 565 N PRO A 35 -15.266 8.700 0.738 1.00 0.00 N ATOM 566 CA PRO A 35 -14.298 9.765 1.116 1.00 0.00 C ATOM 567 C PRO A 35 -13.401 9.343 2.290 1.00 0.00 C ATOM 568 O PRO A 35 -12.190 9.547 2.263 1.00 0.00 O ATOM 569 CB PRO A 35 -15.193 10.960 1.501 1.00 0.00 C ATOM 570 CG PRO A 35 -16.593 10.420 1.538 1.00 0.00 C ATOM 571 CD PRO A 35 -16.624 9.244 0.610 1.00 0.00 C ATOM 0 HA PRO A 35 -13.607 9.995 0.305 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -14.905 11.369 2.469 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -15.103 11.767 0.774 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -16.866 10.122 2.550 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -17.309 11.179 1.225 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -17.381 8.517 0.902 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.847 9.542 -0.415 1.00 0.00 H new ATOM 579 N GLU A 36 -14.022 8.707 3.272 1.00 0.00 N ATOM 580 CA GLU A 36 -13.365 8.118 4.438 1.00 0.00 C ATOM 581 C GLU A 36 -12.203 7.212 3.995 1.00 0.00 C ATOM 582 O GLU A 36 -11.055 7.360 4.434 1.00 0.00 O ATOM 583 CB GLU A 36 -14.437 7.291 5.173 1.00 0.00 C ATOM 584 CG GLU A 36 -13.956 6.370 6.282 1.00 0.00 C ATOM 585 CD GLU A 36 -13.345 7.074 7.458 1.00 0.00 C ATOM 586 OE1 GLU A 36 -14.069 7.793 8.185 1.00 0.00 O ATOM 587 OE2 GLU A 36 -12.158 6.856 7.733 1.00 0.00 O ATOM 0 H GLU A 36 -15.034 8.580 3.283 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.949 8.889 5.087 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -15.165 7.982 5.598 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -14.964 6.686 4.435 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -14.798 5.772 6.631 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.223 5.677 5.869 1.00 0.00 H new ATOM 594 N GLY A 37 -12.506 6.334 3.069 1.00 0.00 N ATOM 595 CA GLY A 37 -11.555 5.378 2.604 1.00 0.00 C ATOM 596 C GLY A 37 -10.541 5.987 1.692 1.00 0.00 C ATOM 597 O GLY A 37 -9.391 5.600 1.714 1.00 0.00 O ATOM 0 H GLY A 37 -13.421 6.270 2.623 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -11.049 4.927 3.458 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.075 4.575 2.081 1.00 0.00 H new ATOM 601 N LYS A 38 -10.975 6.940 0.891 1.00 0.00 N ATOM 602 CA LYS A 38 -10.091 7.665 -0.039 1.00 0.00 C ATOM 603 C LYS A 38 -8.914 8.261 0.698 1.00 0.00 C ATOM 604 O LYS A 38 -7.775 8.185 0.248 1.00 0.00 O ATOM 605 CB LYS A 38 -10.836 8.800 -0.763 1.00 0.00 C ATOM 606 CG LYS A 38 -11.953 8.371 -1.698 1.00 0.00 C ATOM 607 CD LYS A 38 -12.623 9.601 -2.314 1.00 0.00 C ATOM 608 CE LYS A 38 -13.835 9.272 -3.194 1.00 0.00 C ATOM 609 NZ LYS A 38 -13.469 8.692 -4.500 1.00 0.00 N ATOM 0 H LYS A 38 -11.948 7.244 0.856 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.745 6.939 -0.774 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.254 9.470 -0.012 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.110 9.377 -1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.554 7.732 -2.485 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.689 7.781 -1.152 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.938 10.270 -1.513 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.889 10.142 -2.911 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -14.482 8.574 -2.663 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -14.414 10.181 -3.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.325 8.572 -5.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -12.807 9.328 -4.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.016 7.767 -4.354 1.00 0.00 H new ATOM 623 N GLU A 39 -9.193 8.782 1.849 1.00 0.00 N ATOM 624 CA GLU A 39 -8.217 9.478 2.619 1.00 0.00 C ATOM 625 C GLU A 39 -7.345 8.507 3.364 1.00 0.00 C ATOM 626 O GLU A 39 -6.101 8.621 3.352 1.00 0.00 O ATOM 627 CB GLU A 39 -8.885 10.427 3.573 1.00 0.00 C ATOM 628 CG GLU A 39 -7.878 11.226 4.340 1.00 0.00 C ATOM 629 CD GLU A 39 -8.470 12.351 5.106 1.00 0.00 C ATOM 630 OE1 GLU A 39 -9.042 12.111 6.184 1.00 0.00 O ATOM 631 OE2 GLU A 39 -8.330 13.509 4.669 1.00 0.00 O ATOM 0 H GLU A 39 -10.114 8.735 2.284 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.587 10.055 1.942 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.541 11.099 3.021 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.513 9.867 4.266 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.351 10.566 5.029 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.135 11.621 3.647 1.00 0.00 H new ATOM 638 N LEU A 40 -8.005 7.559 4.007 1.00 0.00 N ATOM 639 CA LEU A 40 -7.355 6.494 4.729 1.00 0.00 C ATOM 640 C LEU A 40 -6.278 5.827 3.874 1.00 0.00 C ATOM 641 O LEU A 40 -5.102 5.808 4.224 1.00 0.00 O ATOM 642 CB LEU A 40 -8.411 5.431 5.081 1.00 0.00 C ATOM 643 CG LEU A 40 -7.848 4.049 5.373 1.00 0.00 C ATOM 644 CD1 LEU A 40 -7.114 3.984 6.700 1.00 0.00 C ATOM 645 CD2 LEU A 40 -8.875 2.944 5.215 1.00 0.00 C ATOM 0 H LEU A 40 -9.023 7.513 4.039 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.891 6.911 5.622 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.973 5.771 5.951 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.118 5.353 4.255 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.098 3.866 4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.734 2.975 6.856 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.282 4.688 6.690 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.799 4.243 7.508 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.412 1.983 5.437 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.703 3.116 5.903 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.249 2.939 4.191 1.00 0.00 H new ATOM 657 N LYS A 41 -6.693 5.366 2.726 1.00 0.00 N ATOM 658 CA LYS A 41 -5.857 4.556 1.879 1.00 0.00 C ATOM 659 C LYS A 41 -4.827 5.381 1.183 1.00 0.00 C ATOM 660 O LYS A 41 -3.786 4.875 0.817 1.00 0.00 O ATOM 661 CB LYS A 41 -6.719 3.797 0.915 1.00 0.00 C ATOM 662 CG LYS A 41 -7.801 3.033 1.633 1.00 0.00 C ATOM 663 CD LYS A 41 -8.861 2.610 0.694 1.00 0.00 C ATOM 664 CE LYS A 41 -10.106 2.159 1.414 1.00 0.00 C ATOM 665 NZ LYS A 41 -11.192 1.842 0.461 1.00 0.00 N ATOM 0 H LYS A 41 -7.624 5.542 2.349 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.310 3.839 2.492 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.170 4.489 0.204 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.103 3.106 0.340 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.371 2.158 2.120 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.232 3.655 2.417 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.107 3.437 0.028 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -8.489 1.798 0.069 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.881 1.280 2.018 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.436 2.940 2.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.063 2.329 0.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.921 2.158 -0.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.357 0.815 0.451 1.00 0.00 H new ATOM 679 N ASP A 42 -5.117 6.662 1.006 1.00 0.00 N ATOM 680 CA ASP A 42 -4.153 7.569 0.423 1.00 0.00 C ATOM 681 C ASP A 42 -2.904 7.582 1.273 1.00 0.00 C ATOM 682 O ASP A 42 -1.827 7.310 0.791 1.00 0.00 O ATOM 683 CB ASP A 42 -4.717 8.987 0.338 1.00 0.00 C ATOM 684 CG ASP A 42 -3.742 9.970 -0.266 1.00 0.00 C ATOM 685 OD1 ASP A 42 -3.759 10.154 -1.503 1.00 0.00 O ATOM 686 OD2 ASP A 42 -2.968 10.600 0.474 1.00 0.00 O ATOM 0 H ASP A 42 -6.008 7.090 1.258 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.922 7.226 -0.586 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -5.630 8.975 -0.258 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.993 9.324 1.337 1.00 0.00 H new ATOM 691 N HIS A 43 -3.080 7.850 2.557 1.00 0.00 N ATOM 692 CA HIS A 43 -1.951 7.943 3.481 1.00 0.00 C ATOM 693 C HIS A 43 -1.434 6.587 3.965 1.00 0.00 C ATOM 694 O HIS A 43 -0.262 6.456 4.336 1.00 0.00 O ATOM 695 CB HIS A 43 -2.252 8.851 4.655 1.00 0.00 C ATOM 696 CG HIS A 43 -2.470 10.276 4.272 1.00 0.00 C ATOM 697 ND1 HIS A 43 -1.463 11.101 3.827 1.00 0.00 N ATOM 698 CD2 HIS A 43 -3.592 11.026 4.272 1.00 0.00 C ATOM 699 CE1 HIS A 43 -1.955 12.291 3.583 1.00 0.00 C ATOM 700 NE2 HIS A 43 -3.246 12.276 3.844 1.00 0.00 N ATOM 0 H HIS A 43 -3.991 8.008 2.987 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.146 8.389 2.897 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -3.140 8.483 5.169 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.427 8.797 5.365 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -0.487 10.829 3.706 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -4.581 10.698 4.558 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -1.395 13.143 3.227 1.00 0.00 H new ATOM 709 N LEU A 44 -2.283 5.600 3.994 1.00 0.00 N ATOM 710 CA LEU A 44 -1.871 4.289 4.451 1.00 0.00 C ATOM 711 C LEU A 44 -1.090 3.567 3.354 1.00 0.00 C ATOM 712 O LEU A 44 0.007 3.067 3.589 1.00 0.00 O ATOM 713 CB LEU A 44 -3.083 3.514 4.955 1.00 0.00 C ATOM 714 CG LEU A 44 -2.826 2.223 5.717 1.00 0.00 C ATOM 715 CD1 LEU A 44 -3.963 2.013 6.675 1.00 0.00 C ATOM 716 CD2 LEU A 44 -2.729 1.031 4.766 1.00 0.00 C ATOM 0 H LEU A 44 -3.260 5.669 3.710 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.188 4.380 5.296 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.660 4.176 5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.712 3.278 4.096 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.878 2.301 6.250 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.802 1.092 7.235 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.016 2.853 7.367 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.898 1.941 6.120 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.545 0.122 5.339 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.663 0.929 4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.909 1.190 4.065 1.00 0.00 H new ATOM 728 N GLN A 45 -1.641 3.530 2.159 1.00 0.00 N ATOM 729 CA GLN A 45 -0.927 3.007 1.011 1.00 0.00 C ATOM 730 C GLN A 45 0.293 3.910 0.651 1.00 0.00 C ATOM 731 O GLN A 45 1.245 3.461 0.018 1.00 0.00 O ATOM 732 CB GLN A 45 -1.859 2.675 -0.183 1.00 0.00 C ATOM 733 CG GLN A 45 -2.500 1.247 -0.141 1.00 0.00 C ATOM 734 CD GLN A 45 -3.289 0.896 1.137 1.00 0.00 C ATOM 735 OE1 GLN A 45 -3.887 1.756 1.779 1.00 0.00 O ATOM 736 NE2 GLN A 45 -3.298 -0.398 1.504 1.00 0.00 N ATOM 0 H GLN A 45 -2.585 3.857 1.956 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.511 2.039 1.290 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.658 3.415 -0.218 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.291 2.775 -1.108 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -3.169 1.145 -0.996 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.706 0.511 -0.268 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -2.792 -1.089 0.950 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -3.811 -0.689 2.336 1.00 0.00 H new ATOM 745 N GLU A 46 0.224 5.191 1.040 1.00 0.00 N ATOM 746 CA GLU A 46 1.389 6.114 1.012 1.00 0.00 C ATOM 747 C GLU A 46 2.530 5.477 1.812 1.00 0.00 C ATOM 748 O GLU A 46 3.648 5.337 1.340 1.00 0.00 O ATOM 749 CB GLU A 46 0.990 7.415 1.721 1.00 0.00 C ATOM 750 CG GLU A 46 2.086 8.424 1.987 1.00 0.00 C ATOM 751 CD GLU A 46 1.664 9.433 3.039 1.00 0.00 C ATOM 752 OE1 GLU A 46 0.887 10.368 2.728 1.00 0.00 O ATOM 753 OE2 GLU A 46 2.074 9.299 4.211 1.00 0.00 O ATOM 0 H GLU A 46 -0.633 5.624 1.383 1.00 0.00 H new ATOM 0 HA GLU A 46 1.695 6.307 -0.016 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.220 7.903 1.123 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.534 7.153 2.676 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.987 7.907 2.317 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.337 8.943 1.062 1.00 0.00 H new ATOM 760 N ALA A 47 2.200 5.075 3.028 1.00 0.00 N ATOM 761 CA ALA A 47 3.138 4.458 3.943 1.00 0.00 C ATOM 762 C ALA A 47 3.595 3.092 3.422 1.00 0.00 C ATOM 763 O ALA A 47 4.712 2.669 3.679 1.00 0.00 O ATOM 764 CB ALA A 47 2.498 4.340 5.303 1.00 0.00 C ATOM 0 H ALA A 47 1.259 5.171 3.410 1.00 0.00 H new ATOM 0 HA ALA A 47 4.027 5.083 4.023 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.200 3.876 5.996 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.231 5.332 5.667 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.600 3.726 5.231 1.00 0.00 H new ATOM 770 N LEU A 48 2.704 2.427 2.700 1.00 0.00 N ATOM 771 CA LEU A 48 2.999 1.166 2.014 1.00 0.00 C ATOM 772 C LEU A 48 4.166 1.334 1.044 1.00 0.00 C ATOM 773 O LEU A 48 5.028 0.480 0.963 1.00 0.00 O ATOM 774 CB LEU A 48 1.757 0.707 1.256 1.00 0.00 C ATOM 775 CG LEU A 48 1.956 -0.308 0.132 1.00 0.00 C ATOM 776 CD1 LEU A 48 2.479 -1.624 0.656 1.00 0.00 C ATOM 777 CD2 LEU A 48 0.663 -0.484 -0.630 1.00 0.00 C ATOM 0 H LEU A 48 1.744 2.747 2.569 1.00 0.00 H new ATOM 0 HA LEU A 48 3.279 0.418 2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.061 0.279 1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.275 1.589 0.833 1.00 0.00 H new ATOM 0 HG LEU A 48 2.713 0.075 -0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.608 -2.320 -0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.438 -1.464 1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.769 -2.039 1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.809 -1.209 -1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.112 -0.842 0.047 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.359 0.472 -1.056 1.00 0.00 H new ATOM 789 N GLU A 49 4.143 2.426 0.292 1.00 0.00 N ATOM 790 CA GLU A 49 5.217 2.776 -0.627 1.00 0.00 C ATOM 791 C GLU A 49 6.513 2.841 0.174 1.00 0.00 C ATOM 792 O GLU A 49 7.478 2.124 -0.105 1.00 0.00 O ATOM 793 CB GLU A 49 4.853 4.144 -1.268 1.00 0.00 C ATOM 794 CG GLU A 49 5.854 4.775 -2.237 1.00 0.00 C ATOM 795 CD GLU A 49 7.082 5.347 -1.572 1.00 0.00 C ATOM 796 OE1 GLU A 49 6.954 6.216 -0.686 1.00 0.00 O ATOM 797 OE2 GLU A 49 8.185 4.935 -1.919 1.00 0.00 O ATOM 0 H GLU A 49 3.375 3.097 0.303 1.00 0.00 H new ATOM 0 HA GLU A 49 5.348 2.044 -1.424 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.908 4.023 -1.797 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.678 4.855 -0.460 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.164 4.023 -2.962 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.354 5.567 -2.794 1.00 0.00 H new ATOM 804 N THR A 50 6.469 3.707 1.148 1.00 0.00 N ATOM 805 CA THR A 50 7.461 3.995 2.176 1.00 0.00 C ATOM 806 C THR A 50 6.934 5.227 2.883 1.00 0.00 C ATOM 807 O THR A 50 6.899 5.275 4.127 1.00 0.00 O ATOM 808 CB THR A 50 8.931 4.252 1.651 1.00 0.00 C ATOM 809 OG1 THR A 50 9.486 3.041 1.111 1.00 0.00 O ATOM 810 CG2 THR A 50 9.843 4.741 2.777 1.00 0.00 C ATOM 0 H THR A 50 5.648 4.301 1.263 1.00 0.00 H new ATOM 0 HA THR A 50 7.573 3.121 2.817 1.00 0.00 H new ATOM 0 HB THR A 50 8.872 5.018 0.877 1.00 0.00 H new ATOM 0 HG1 THR A 50 8.763 2.409 0.914 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.846 4.909 2.386 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.451 5.673 3.183 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.882 3.990 3.566 1.00 0.00 H new ATOM 818 N GLY A 51 6.508 6.212 2.032 1.00 0.00 N ATOM 819 CA GLY A 51 5.812 7.450 2.423 1.00 0.00 C ATOM 820 C GLY A 51 6.129 7.925 3.796 1.00 0.00 C ATOM 821 O GLY A 51 7.116 8.640 4.015 1.00 0.00 O ATOM 0 H GLY A 51 6.652 6.149 1.024 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.067 8.236 1.712 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.737 7.288 2.347 1.00 0.00 H new ATOM 825 N CYS A 52 5.290 7.545 4.718 1.00 0.00 N ATOM 826 CA CYS A 52 5.519 7.786 6.095 1.00 0.00 C ATOM 827 C CYS A 52 4.907 6.668 6.918 1.00 0.00 C ATOM 828 O CYS A 52 3.777 6.770 7.404 1.00 0.00 O ATOM 829 CB CYS A 52 5.008 9.153 6.535 1.00 0.00 C ATOM 830 SG CYS A 52 5.319 9.524 8.290 1.00 0.00 S ATOM 0 H CYS A 52 4.419 7.053 4.520 1.00 0.00 H new ATOM 0 HA CYS A 52 6.596 7.798 6.264 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.479 9.921 5.922 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.936 9.208 6.346 1.00 0.00 H new ATOM 835 N GLU A 53 5.627 5.555 6.973 1.00 0.00 N ATOM 836 CA GLU A 53 5.244 4.397 7.772 1.00 0.00 C ATOM 837 C GLU A 53 5.187 4.778 9.243 1.00 0.00 C ATOM 838 O GLU A 53 4.207 4.534 9.911 1.00 0.00 O ATOM 839 CB GLU A 53 6.230 3.232 7.533 1.00 0.00 C ATOM 840 CG GLU A 53 5.975 1.998 8.392 1.00 0.00 C ATOM 841 CD GLU A 53 6.965 0.878 8.142 1.00 0.00 C ATOM 842 OE1 GLU A 53 8.187 1.092 8.324 1.00 0.00 O ATOM 843 OE2 GLU A 53 6.544 -0.255 7.848 1.00 0.00 O ATOM 0 H GLU A 53 6.500 5.429 6.461 1.00 0.00 H new ATOM 0 HA GLU A 53 4.252 4.063 7.468 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.183 2.943 6.483 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.243 3.587 7.721 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.016 2.281 9.444 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.967 1.632 8.199 1.00 0.00 H new ATOM 850 N LYS A 54 6.207 5.465 9.707 1.00 0.00 N ATOM 851 CA LYS A 54 6.300 5.864 11.114 1.00 0.00 C ATOM 852 C LYS A 54 5.378 7.045 11.508 1.00 0.00 C ATOM 853 O LYS A 54 5.599 7.694 12.529 1.00 0.00 O ATOM 854 CB LYS A 54 7.776 6.074 11.559 1.00 0.00 C ATOM 855 CG LYS A 54 8.676 6.956 10.666 1.00 0.00 C ATOM 856 CD LYS A 54 8.221 8.406 10.568 1.00 0.00 C ATOM 857 CE LYS A 54 9.254 9.283 9.858 1.00 0.00 C ATOM 858 NZ LYS A 54 9.496 8.898 8.443 1.00 0.00 N ATOM 0 H LYS A 54 6.995 5.766 9.134 1.00 0.00 H new ATOM 0 HA LYS A 54 5.908 5.020 11.681 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.766 6.508 12.559 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.244 5.093 11.642 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.694 6.931 11.056 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.708 6.527 9.664 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.274 8.453 10.030 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.039 8.798 11.569 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.920 10.320 9.891 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.196 9.234 10.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.206 9.534 8.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.844 7.919 8.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.608 8.971 7.907 1.00 0.00 H new ATOM 872 N CYS A 55 4.352 7.301 10.713 1.00 0.00 N ATOM 873 CA CYS A 55 3.406 8.375 10.997 1.00 0.00 C ATOM 874 C CYS A 55 2.405 8.064 12.134 1.00 0.00 C ATOM 875 O CYS A 55 2.790 8.026 13.300 1.00 0.00 O ATOM 876 CB CYS A 55 2.708 8.901 9.747 1.00 0.00 C ATOM 877 SG CYS A 55 3.561 10.290 8.913 1.00 0.00 S ATOM 0 H CYS A 55 4.150 6.778 9.861 1.00 0.00 H new ATOM 0 HA CYS A 55 4.030 9.184 11.378 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.600 8.081 9.037 1.00 0.00 H new ATOM 0 HB3 CYS A 55 1.702 9.222 10.018 1.00 0.00 H new ATOM 882 N THR A 56 1.148 7.807 11.807 1.00 0.00 N ATOM 883 CA THR A 56 0.143 7.590 12.826 1.00 0.00 C ATOM 884 C THR A 56 -0.047 6.114 13.066 1.00 0.00 C ATOM 885 O THR A 56 0.437 5.314 12.280 1.00 0.00 O ATOM 886 CB THR A 56 -1.202 8.206 12.402 1.00 0.00 C ATOM 887 OG1 THR A 56 -1.591 7.674 11.122 1.00 0.00 O ATOM 888 CG2 THR A 56 -1.108 9.724 12.332 1.00 0.00 C ATOM 0 H THR A 56 0.805 7.745 10.849 1.00 0.00 H new ATOM 0 HA THR A 56 0.485 8.070 13.743 1.00 0.00 H new ATOM 0 HB THR A 56 -1.954 7.949 13.148 1.00 0.00 H new ATOM 0 HG1 THR A 56 -1.164 8.193 10.409 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.072 10.135 12.030 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.837 10.117 13.312 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.348 10.008 11.604 1.00 0.00 H new ATOM 896 N GLU A 57 -0.766 5.766 14.133 1.00 0.00 N ATOM 897 CA GLU A 57 -1.084 4.374 14.488 1.00 0.00 C ATOM 898 C GLU A 57 -1.742 3.625 13.312 1.00 0.00 C ATOM 899 O GLU A 57 -1.439 2.453 13.048 1.00 0.00 O ATOM 900 CB GLU A 57 -1.986 4.345 15.737 1.00 0.00 C ATOM 901 CG GLU A 57 -3.288 5.123 15.584 1.00 0.00 C ATOM 902 CD GLU A 57 -4.097 5.163 16.846 1.00 0.00 C ATOM 903 OE1 GLU A 57 -4.866 4.222 17.102 1.00 0.00 O ATOM 904 OE2 GLU A 57 -4.007 6.162 17.588 1.00 0.00 O ATOM 0 H GLU A 57 -1.151 6.448 14.786 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.152 3.857 14.715 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.221 3.308 15.978 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -1.430 4.751 16.583 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.061 6.142 15.271 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.884 4.671 14.791 1.00 0.00 H new ATOM 911 N ALA A 58 -2.602 4.329 12.586 1.00 0.00 N ATOM 912 CA ALA A 58 -3.292 3.764 11.446 1.00 0.00 C ATOM 913 C ALA A 58 -2.313 3.540 10.310 1.00 0.00 C ATOM 914 O ALA A 58 -2.294 2.473 9.698 1.00 0.00 O ATOM 915 CB ALA A 58 -4.427 4.677 11.003 1.00 0.00 C ATOM 0 H ALA A 58 -2.836 5.304 12.775 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.721 2.804 11.734 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.935 4.236 10.145 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.137 4.799 11.821 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.023 5.651 10.725 1.00 0.00 H new ATOM 921 N GLN A 59 -1.469 4.532 10.074 1.00 0.00 N ATOM 922 CA GLN A 59 -0.477 4.465 9.025 1.00 0.00 C ATOM 923 C GLN A 59 0.571 3.399 9.298 1.00 0.00 C ATOM 924 O GLN A 59 0.777 2.558 8.472 1.00 0.00 O ATOM 925 CB GLN A 59 0.165 5.832 8.778 1.00 0.00 C ATOM 926 CG GLN A 59 -0.754 6.817 8.071 1.00 0.00 C ATOM 927 CD GLN A 59 -0.189 8.221 8.020 1.00 0.00 C ATOM 928 OE1 GLN A 59 -0.452 9.041 8.898 1.00 0.00 O ATOM 929 NE2 GLN A 59 0.646 8.491 7.056 1.00 0.00 N ATOM 0 H GLN A 59 -1.456 5.402 10.606 1.00 0.00 H new ATOM 0 HA GLN A 59 -0.996 4.173 8.112 1.00 0.00 H new ATOM 0 HB2 GLN A 59 0.474 6.257 9.733 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.068 5.698 8.182 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.938 6.468 7.055 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.717 6.837 8.581 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.844 7.790 6.342 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.101 9.403 7.016 1.00 0.00 H new ATOM 938 N GLU A 60 1.188 3.425 10.474 1.00 0.00 N ATOM 939 CA GLU A 60 2.255 2.458 10.838 1.00 0.00 C ATOM 940 C GLU A 60 1.797 0.990 10.725 1.00 0.00 C ATOM 941 O GLU A 60 2.442 0.163 10.039 1.00 0.00 O ATOM 942 CB GLU A 60 2.816 2.749 12.254 1.00 0.00 C ATOM 943 CG GLU A 60 1.759 2.761 13.345 1.00 0.00 C ATOM 944 CD GLU A 60 2.290 3.024 14.713 1.00 0.00 C ATOM 945 OE1 GLU A 60 2.516 4.178 15.060 1.00 0.00 O ATOM 946 OE2 GLU A 60 2.462 2.067 15.490 1.00 0.00 O ATOM 0 H GLU A 60 0.977 4.104 11.205 1.00 0.00 H new ATOM 0 HA GLU A 60 3.055 2.597 10.110 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.567 1.998 12.498 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.323 3.714 12.242 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.015 3.520 13.105 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.245 1.800 13.346 1.00 0.00 H new ATOM 953 N LYS A 61 0.680 0.685 11.367 1.00 0.00 N ATOM 954 CA LYS A 61 0.134 -0.653 11.409 1.00 0.00 C ATOM 955 C LYS A 61 -0.351 -1.058 10.031 1.00 0.00 C ATOM 956 O LYS A 61 -0.042 -2.158 9.530 1.00 0.00 O ATOM 957 CB LYS A 61 -1.014 -0.676 12.417 1.00 0.00 C ATOM 958 CG LYS A 61 -1.741 -1.994 12.560 1.00 0.00 C ATOM 959 CD LYS A 61 -2.851 -1.856 13.579 1.00 0.00 C ATOM 960 CE LYS A 61 -3.643 -3.131 13.736 1.00 0.00 C ATOM 961 NZ LYS A 61 -4.686 -2.994 14.770 1.00 0.00 N ATOM 0 H LYS A 61 0.124 1.371 11.878 1.00 0.00 H new ATOM 0 HA LYS A 61 0.901 -1.364 11.717 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.620 -0.392 13.393 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.738 0.087 12.131 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.153 -2.299 11.598 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.044 -2.773 12.870 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.425 -1.574 14.542 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.520 -1.050 13.278 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -4.105 -3.394 12.784 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.971 -3.948 14.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.212 -3.887 14.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.242 -2.767 15.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.340 -2.231 14.504 1.00 0.00 H new ATOM 975 N GLY A 62 -1.073 -0.155 9.409 1.00 0.00 N ATOM 976 CA GLY A 62 -1.616 -0.394 8.111 1.00 0.00 C ATOM 977 C GLY A 62 -0.546 -0.587 7.073 1.00 0.00 C ATOM 978 O GLY A 62 -0.665 -1.481 6.225 1.00 0.00 O ATOM 0 H GLY A 62 -1.295 0.762 9.796 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.252 -1.278 8.143 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.250 0.445 7.825 1.00 0.00 H new ATOM 982 N ALA A 63 0.501 0.233 7.152 1.00 0.00 N ATOM 983 CA ALA A 63 1.623 0.184 6.235 1.00 0.00 C ATOM 984 C ALA A 63 2.206 -1.177 6.201 1.00 0.00 C ATOM 985 O ALA A 63 2.176 -1.814 5.180 1.00 0.00 O ATOM 986 CB ALA A 63 2.702 1.162 6.630 1.00 0.00 C ATOM 0 H ALA A 63 0.588 0.956 7.866 1.00 0.00 H new ATOM 0 HA ALA A 63 1.244 0.452 5.249 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.528 1.099 5.921 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.296 2.174 6.625 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.063 0.921 7.630 1.00 0.00 H new ATOM 992 N GLU A 64 2.656 -1.664 7.347 1.00 0.00 N ATOM 993 CA GLU A 64 3.307 -2.958 7.396 1.00 0.00 C ATOM 994 C GLU A 64 2.401 -4.113 6.997 1.00 0.00 C ATOM 995 O GLU A 64 2.859 -5.076 6.414 1.00 0.00 O ATOM 996 CB GLU A 64 4.006 -3.206 8.715 1.00 0.00 C ATOM 997 CG GLU A 64 3.176 -3.014 9.948 1.00 0.00 C ATOM 998 CD GLU A 64 3.978 -3.306 11.173 1.00 0.00 C ATOM 999 OE1 GLU A 64 5.130 -2.831 11.264 1.00 0.00 O ATOM 1000 OE2 GLU A 64 3.494 -4.049 12.051 1.00 0.00 O ATOM 0 H GLU A 64 2.582 -1.187 8.245 1.00 0.00 H new ATOM 0 HA GLU A 64 4.082 -2.918 6.631 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.388 -4.227 8.714 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.869 -2.543 8.776 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.804 -1.990 9.986 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.305 -3.669 9.912 1.00 0.00 H new ATOM 1007 N THR A 65 1.123 -3.991 7.269 1.00 0.00 N ATOM 1008 CA THR A 65 0.171 -5.014 6.872 1.00 0.00 C ATOM 1009 C THR A 65 0.018 -4.992 5.340 1.00 0.00 C ATOM 1010 O THR A 65 0.037 -6.055 4.659 1.00 0.00 O ATOM 1011 CB THR A 65 -1.182 -4.784 7.593 1.00 0.00 C ATOM 1012 OG1 THR A 65 -0.936 -4.585 9.002 1.00 0.00 O ATOM 1013 CG2 THR A 65 -2.093 -5.987 7.446 1.00 0.00 C ATOM 0 H THR A 65 0.714 -3.197 7.762 1.00 0.00 H new ATOM 0 HA THR A 65 0.531 -6.000 7.164 1.00 0.00 H new ATOM 0 HB THR A 65 -1.661 -3.913 7.145 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.697 -3.648 9.163 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.034 -5.796 7.962 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.289 -6.168 6.389 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.612 -6.863 7.881 1.00 0.00 H new ATOM 1021 N SER A 66 -0.079 -3.800 4.784 1.00 0.00 N ATOM 1022 CA SER A 66 -0.176 -3.662 3.373 1.00 0.00 C ATOM 1023 C SER A 66 1.145 -4.086 2.698 1.00 0.00 C ATOM 1024 O SER A 66 1.128 -4.648 1.625 1.00 0.00 O ATOM 1025 CB SER A 66 -0.599 -2.245 2.972 1.00 0.00 C ATOM 1026 OG SER A 66 -0.957 -2.194 1.599 1.00 0.00 O ATOM 0 H SER A 66 -0.091 -2.922 5.302 1.00 0.00 H new ATOM 0 HA SER A 66 -0.960 -4.331 3.018 1.00 0.00 H new ATOM 0 HB2 SER A 66 -1.442 -1.926 3.584 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.217 -1.549 3.166 1.00 0.00 H new ATOM 0 HG SER A 66 -1.781 -2.705 1.457 1.00 0.00 H new ATOM 1032 N ILE A 67 2.264 -3.816 3.337 1.00 0.00 N ATOM 1033 CA ILE A 67 3.563 -4.240 2.837 1.00 0.00 C ATOM 1034 C ILE A 67 3.621 -5.759 2.821 1.00 0.00 C ATOM 1035 O ILE A 67 4.005 -6.354 1.827 1.00 0.00 O ATOM 1036 CB ILE A 67 4.743 -3.658 3.704 1.00 0.00 C ATOM 1037 CG1 ILE A 67 4.785 -2.121 3.599 1.00 0.00 C ATOM 1038 CG2 ILE A 67 6.093 -4.260 3.299 1.00 0.00 C ATOM 1039 CD1 ILE A 67 5.862 -1.455 4.443 1.00 0.00 C ATOM 0 H ILE A 67 2.303 -3.298 4.215 1.00 0.00 H new ATOM 0 HA ILE A 67 3.684 -3.852 1.825 1.00 0.00 H new ATOM 0 HB ILE A 67 4.556 -3.934 4.742 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.938 -1.846 2.556 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.814 -1.724 3.894 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.882 -3.834 3.919 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.066 -5.341 3.438 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.293 -4.034 2.252 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.816 -0.375 4.306 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.700 -1.694 5.494 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.842 -1.818 4.135 1.00 0.00 H new ATOM 1051 N ASP A 68 3.160 -6.357 3.906 1.00 0.00 N ATOM 1052 CA ASP A 68 3.187 -7.805 4.101 1.00 0.00 C ATOM 1053 C ASP A 68 2.570 -8.576 2.927 1.00 0.00 C ATOM 1054 O ASP A 68 3.284 -9.352 2.227 1.00 0.00 O ATOM 1055 CB ASP A 68 2.454 -8.157 5.412 1.00 0.00 C ATOM 1056 CG ASP A 68 2.382 -9.640 5.714 1.00 0.00 C ATOM 1057 OD1 ASP A 68 1.455 -10.319 5.229 1.00 0.00 O ATOM 1058 OD2 ASP A 68 3.214 -10.148 6.492 1.00 0.00 O ATOM 0 H ASP A 68 2.750 -5.848 4.689 1.00 0.00 H new ATOM 0 HA ASP A 68 4.232 -8.109 4.158 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.955 -7.655 6.239 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.440 -7.759 5.364 1.00 0.00 H new ATOM 1063 N TYR A 69 1.297 -8.307 2.610 1.00 0.00 N ATOM 1064 CA TYR A 69 0.692 -9.106 1.550 1.00 0.00 C ATOM 1065 C TYR A 69 1.180 -8.664 0.192 1.00 0.00 C ATOM 1066 O TYR A 69 1.383 -9.488 -0.686 1.00 0.00 O ATOM 1067 CB TYR A 69 -0.843 -9.151 1.570 1.00 0.00 C ATOM 1068 CG TYR A 69 -1.389 -10.359 0.864 1.00 0.00 C ATOM 1069 CD1 TYR A 69 -1.541 -11.544 1.562 1.00 0.00 C ATOM 1070 CD2 TYR A 69 -1.716 -10.344 -0.483 1.00 0.00 C ATOM 1071 CE1 TYR A 69 -2.006 -12.677 0.955 1.00 0.00 C ATOM 1072 CE2 TYR A 69 -2.177 -11.491 -1.098 1.00 0.00 C ATOM 1073 CZ TYR A 69 -2.321 -12.650 -0.373 1.00 0.00 C ATOM 1074 OH TYR A 69 -2.777 -13.795 -0.986 1.00 0.00 O ATOM 0 H TYR A 69 0.706 -7.595 3.039 1.00 0.00 H new ATOM 0 HA TYR A 69 1.021 -10.126 1.751 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -1.191 -9.149 2.603 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -1.236 -8.250 1.100 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -1.286 -11.574 2.611 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -1.610 -9.433 -1.053 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.124 -13.588 1.523 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.425 -11.478 -2.149 1.00 0.00 H new ATOM 0 HH TYR A 69 -2.958 -13.610 -1.931 1.00 0.00 H new ATOM 1084 N LEU A 70 1.376 -7.370 0.022 1.00 0.00 N ATOM 1085 CA LEU A 70 1.843 -6.837 -1.246 1.00 0.00 C ATOM 1086 C LEU A 70 3.181 -7.426 -1.652 1.00 0.00 C ATOM 1087 O LEU A 70 3.322 -7.884 -2.779 1.00 0.00 O ATOM 1088 CB LEU A 70 1.898 -5.324 -1.192 1.00 0.00 C ATOM 1089 CG LEU A 70 2.149 -4.605 -2.501 1.00 0.00 C ATOM 1090 CD1 LEU A 70 1.360 -3.333 -2.507 1.00 0.00 C ATOM 1091 CD2 LEU A 70 3.626 -4.291 -2.699 1.00 0.00 C ATOM 0 H LEU A 70 1.219 -6.668 0.745 1.00 0.00 H new ATOM 0 HA LEU A 70 1.127 -7.129 -2.015 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.955 -4.964 -0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.681 -5.037 -0.491 1.00 0.00 H new ATOM 0 HG LEU A 70 1.839 -5.256 -3.319 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.531 -2.803 -3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.299 -3.562 -2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.675 -2.706 -1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.764 -3.775 -3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.975 -3.654 -1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.198 -5.219 -2.703 1.00 0.00 H new ATOM 1103 N ILE A 71 4.133 -7.458 -0.735 1.00 0.00 N ATOM 1104 CA ILE A 71 5.448 -7.985 -1.050 1.00 0.00 C ATOM 1105 C ILE A 71 5.364 -9.463 -1.406 1.00 0.00 C ATOM 1106 O ILE A 71 6.018 -9.917 -2.348 1.00 0.00 O ATOM 1107 CB ILE A 71 6.494 -7.757 0.100 1.00 0.00 C ATOM 1108 CG1 ILE A 71 6.678 -6.257 0.397 1.00 0.00 C ATOM 1109 CG2 ILE A 71 7.848 -8.400 -0.227 1.00 0.00 C ATOM 1110 CD1 ILE A 71 7.107 -5.421 -0.787 1.00 0.00 C ATOM 0 H ILE A 71 4.021 -7.129 0.224 1.00 0.00 H new ATOM 0 HA ILE A 71 5.805 -7.426 -1.915 1.00 0.00 H new ATOM 0 HB ILE A 71 6.096 -8.242 0.991 1.00 0.00 H new ATOM 0 HG12 ILE A 71 5.739 -5.860 0.782 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.419 -6.147 1.189 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.544 -8.220 0.593 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.718 -9.474 -0.363 1.00 0.00 H new ATOM 0 HG23 ILE A 71 8.246 -7.964 -1.143 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.210 -4.380 -0.479 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.064 -5.785 -1.162 1.00 0.00 H new ATOM 0 HD13 ILE A 71 6.357 -5.494 -1.575 1.00 0.00 H new ATOM 1122 N LYS A 72 4.527 -10.213 -0.701 1.00 0.00 N ATOM 1123 CA LYS A 72 4.457 -11.638 -0.987 1.00 0.00 C ATOM 1124 C LYS A 72 3.501 -12.018 -2.155 1.00 0.00 C ATOM 1125 O LYS A 72 3.600 -13.125 -2.689 1.00 0.00 O ATOM 1126 CB LYS A 72 4.224 -12.468 0.285 1.00 0.00 C ATOM 1127 CG LYS A 72 2.924 -12.202 1.007 1.00 0.00 C ATOM 1128 CD LYS A 72 2.953 -12.808 2.400 1.00 0.00 C ATOM 1129 CE LYS A 72 1.634 -12.609 3.115 1.00 0.00 C ATOM 1130 NZ LYS A 72 1.679 -13.094 4.504 1.00 0.00 N ATOM 0 H LYS A 72 3.913 -9.878 0.041 1.00 0.00 H new ATOM 0 HA LYS A 72 5.444 -11.906 -1.364 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.263 -13.525 0.020 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.047 -12.282 0.975 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.753 -11.128 1.075 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.094 -12.622 0.439 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.174 -13.873 2.331 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.756 -12.353 2.980 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.375 -11.550 3.109 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.846 -13.133 2.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.891 -13.753 4.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.581 -13.584 4.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.597 -12.288 5.156 1.00 0.00 H new ATOM 1144 N ASN A 73 2.607 -11.115 -2.574 1.00 0.00 N ATOM 1145 CA ASN A 73 1.696 -11.441 -3.700 1.00 0.00 C ATOM 1146 C ASN A 73 2.029 -10.655 -4.960 1.00 0.00 C ATOM 1147 O ASN A 73 2.360 -11.249 -5.997 1.00 0.00 O ATOM 1148 CB ASN A 73 0.200 -11.195 -3.342 1.00 0.00 C ATOM 1149 CG ASN A 73 -0.774 -11.527 -4.509 1.00 0.00 C ATOM 1150 OD1 ASN A 73 -0.498 -12.405 -5.325 1.00 0.00 O ATOM 1151 ND2 ASN A 73 -1.932 -10.849 -4.592 1.00 0.00 N ATOM 0 H ASN A 73 2.488 -10.184 -2.175 1.00 0.00 H new ATOM 0 HA ASN A 73 1.848 -12.503 -3.891 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.063 -11.800 -2.475 1.00 0.00 H new ATOM 0 HB3 ASN A 73 0.069 -10.152 -3.054 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.594 -11.060 -5.338 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.148 -10.123 -3.909 1.00 0.00 H new ATOM 1158 N GLU A 74 2.012 -9.331 -4.875 1.00 0.00 N ATOM 1159 CA GLU A 74 2.172 -8.497 -6.059 1.00 0.00 C ATOM 1160 C GLU A 74 3.045 -7.277 -5.802 1.00 0.00 C ATOM 1161 O GLU A 74 2.570 -6.171 -5.534 1.00 0.00 O ATOM 1162 CB GLU A 74 0.816 -8.117 -6.691 1.00 0.00 C ATOM 1163 CG GLU A 74 0.065 -9.322 -7.245 1.00 0.00 C ATOM 1164 CD GLU A 74 -1.236 -8.991 -7.907 1.00 0.00 C ATOM 1165 OE1 GLU A 74 -1.223 -8.320 -8.959 1.00 0.00 O ATOM 1166 OE2 GLU A 74 -2.288 -9.434 -7.420 1.00 0.00 O ATOM 0 H GLU A 74 1.890 -8.814 -4.004 1.00 0.00 H new ATOM 0 HA GLU A 74 2.703 -9.105 -6.791 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.197 -7.622 -5.943 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.983 -7.398 -7.493 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.704 -9.834 -7.964 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.124 -10.022 -6.431 1.00 0.00 H new ATOM 1173 N LEU A 75 4.328 -7.521 -5.873 1.00 0.00 N ATOM 1174 CA LEU A 75 5.385 -6.526 -5.674 1.00 0.00 C ATOM 1175 C LEU A 75 5.385 -5.398 -6.733 1.00 0.00 C ATOM 1176 O LEU A 75 6.091 -4.387 -6.585 1.00 0.00 O ATOM 1177 CB LEU A 75 6.756 -7.241 -5.572 1.00 0.00 C ATOM 1178 CG LEU A 75 7.095 -8.313 -6.649 1.00 0.00 C ATOM 1179 CD1 LEU A 75 7.308 -7.716 -8.021 1.00 0.00 C ATOM 1180 CD2 LEU A 75 8.310 -9.111 -6.239 1.00 0.00 C ATOM 0 H LEU A 75 4.694 -8.451 -6.078 1.00 0.00 H new ATOM 0 HA LEU A 75 5.181 -6.013 -4.734 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.535 -6.479 -5.601 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.813 -7.719 -4.594 1.00 0.00 H new ATOM 0 HG LEU A 75 6.230 -8.973 -6.715 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.541 -8.510 -8.731 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.402 -7.200 -8.338 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.135 -7.007 -7.985 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.532 -9.855 -7.004 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.163 -8.442 -6.125 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.113 -9.612 -5.291 1.00 0.00 H new ATOM 1192 N GLU A 76 4.598 -5.583 -7.788 1.00 0.00 N ATOM 1193 CA GLU A 76 4.462 -4.604 -8.871 1.00 0.00 C ATOM 1194 C GLU A 76 4.026 -3.256 -8.344 1.00 0.00 C ATOM 1195 O GLU A 76 4.556 -2.221 -8.742 1.00 0.00 O ATOM 1196 CB GLU A 76 3.450 -5.089 -9.897 1.00 0.00 C ATOM 1197 CG GLU A 76 3.882 -6.326 -10.635 1.00 0.00 C ATOM 1198 CD GLU A 76 5.150 -6.102 -11.412 1.00 0.00 C ATOM 1199 OE1 GLU A 76 5.088 -5.476 -12.483 1.00 0.00 O ATOM 1200 OE2 GLU A 76 6.226 -6.563 -10.970 1.00 0.00 O ATOM 0 H GLU A 76 4.031 -6.421 -7.920 1.00 0.00 H new ATOM 0 HA GLU A 76 5.440 -4.496 -9.340 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.504 -5.289 -9.394 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.266 -4.292 -10.618 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.031 -7.139 -9.925 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.090 -6.638 -11.315 1.00 0.00 H new ATOM 1207 N ILE A 77 3.113 -3.285 -7.395 1.00 0.00 N ATOM 1208 CA ILE A 77 2.564 -2.076 -6.824 1.00 0.00 C ATOM 1209 C ILE A 77 3.651 -1.299 -6.068 1.00 0.00 C ATOM 1210 O ILE A 77 3.676 -0.080 -6.108 1.00 0.00 O ATOM 1211 CB ILE A 77 1.354 -2.391 -5.908 1.00 0.00 C ATOM 1212 CG1 ILE A 77 0.272 -3.158 -6.689 1.00 0.00 C ATOM 1213 CG2 ILE A 77 0.764 -1.118 -5.292 1.00 0.00 C ATOM 1214 CD1 ILE A 77 -0.325 -2.389 -7.856 1.00 0.00 C ATOM 0 H ILE A 77 2.733 -4.145 -7.000 1.00 0.00 H new ATOM 0 HA ILE A 77 2.201 -1.446 -7.636 1.00 0.00 H new ATOM 0 HB ILE A 77 1.714 -3.018 -5.092 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.702 -4.087 -7.064 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.529 -3.432 -6.002 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.082 -1.380 -4.656 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.525 -0.616 -4.694 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.429 -0.451 -6.086 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.078 -3.004 -8.350 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.788 -1.473 -7.489 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.462 -2.138 -8.567 1.00 0.00 H new ATOM 1226 N TRP A 78 4.587 -2.021 -5.447 1.00 0.00 N ATOM 1227 CA TRP A 78 5.700 -1.388 -4.741 1.00 0.00 C ATOM 1228 C TRP A 78 6.545 -0.614 -5.743 1.00 0.00 C ATOM 1229 O TRP A 78 6.954 0.534 -5.486 1.00 0.00 O ATOM 1230 CB TRP A 78 6.573 -2.439 -4.023 1.00 0.00 C ATOM 1231 CG TRP A 78 7.720 -1.855 -3.234 1.00 0.00 C ATOM 1232 CD1 TRP A 78 8.937 -1.448 -3.716 1.00 0.00 C ATOM 1233 CD2 TRP A 78 7.761 -1.635 -1.822 1.00 0.00 C ATOM 1234 NE1 TRP A 78 9.710 -0.969 -2.697 1.00 0.00 N ATOM 1235 CE2 TRP A 78 9.015 -1.082 -1.521 1.00 0.00 C ATOM 1236 CE3 TRP A 78 6.859 -1.852 -0.783 1.00 0.00 C ATOM 1237 CZ2 TRP A 78 9.383 -0.736 -0.226 1.00 0.00 C ATOM 1238 CZ3 TRP A 78 7.232 -1.512 0.499 1.00 0.00 C ATOM 1239 CH2 TRP A 78 8.481 -0.962 0.768 1.00 0.00 C ATOM 0 H TRP A 78 4.595 -3.041 -5.419 1.00 0.00 H new ATOM 0 HA TRP A 78 5.298 -0.712 -3.986 1.00 0.00 H new ATOM 0 HB2 TRP A 78 5.943 -3.020 -3.350 1.00 0.00 H new ATOM 0 HB3 TRP A 78 6.972 -3.132 -4.764 1.00 0.00 H new ATOM 0 HD1 TRP A 78 9.241 -1.499 -4.751 1.00 0.00 H new ATOM 0 HE1 TRP A 78 10.651 -0.589 -2.795 1.00 0.00 H new ATOM 0 HE3 TRP A 78 5.886 -2.278 -0.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 10.350 -0.303 -0.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 6.540 -1.676 1.312 1.00 0.00 H new ATOM 0 HH2 TRP A 78 8.740 -0.709 1.786 1.00 0.00 H new ATOM 1250 N LYS A 79 6.787 -1.242 -6.892 1.00 0.00 N ATOM 1251 CA LYS A 79 7.561 -0.625 -7.973 1.00 0.00 C ATOM 1252 C LYS A 79 6.902 0.673 -8.415 1.00 0.00 C ATOM 1253 O LYS A 79 7.534 1.737 -8.435 1.00 0.00 O ATOM 1254 CB LYS A 79 7.652 -1.564 -9.181 1.00 0.00 C ATOM 1255 CG LYS A 79 8.384 -2.869 -8.938 1.00 0.00 C ATOM 1256 CD LYS A 79 8.300 -3.764 -10.168 1.00 0.00 C ATOM 1257 CE LYS A 79 9.070 -5.050 -9.966 1.00 0.00 C ATOM 1258 NZ LYS A 79 8.840 -6.021 -11.060 1.00 0.00 N ATOM 0 H LYS A 79 6.457 -2.184 -7.101 1.00 0.00 H new ATOM 0 HA LYS A 79 8.563 -0.425 -7.594 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.641 -1.792 -9.519 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.149 -1.035 -9.994 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.428 -2.668 -8.698 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.952 -3.381 -8.078 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.256 -3.993 -10.383 1.00 0.00 H new ATOM 0 HD3 LYS A 79 8.695 -3.233 -11.034 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.135 -4.827 -9.900 1.00 0.00 H new ATOM 0 HE3 LYS A 79 8.779 -5.500 -9.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.602 -6.728 -11.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.927 -6.497 -10.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 8.829 -5.521 -11.972 1.00 0.00 H new ATOM 1272 N GLU A 80 5.625 0.579 -8.701 1.00 0.00 N ATOM 1273 CA GLU A 80 4.837 1.681 -9.215 1.00 0.00 C ATOM 1274 C GLU A 80 4.644 2.811 -8.196 1.00 0.00 C ATOM 1275 O GLU A 80 4.767 3.993 -8.544 1.00 0.00 O ATOM 1276 CB GLU A 80 3.521 1.149 -9.743 1.00 0.00 C ATOM 1277 CG GLU A 80 3.726 0.200 -10.918 1.00 0.00 C ATOM 1278 CD GLU A 80 2.467 -0.464 -11.372 1.00 0.00 C ATOM 1279 OE1 GLU A 80 1.567 0.235 -11.891 1.00 0.00 O ATOM 1280 OE2 GLU A 80 2.358 -1.695 -11.260 1.00 0.00 O ATOM 0 H GLU A 80 5.091 -0.282 -8.581 1.00 0.00 H new ATOM 0 HA GLU A 80 5.389 2.140 -10.035 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.992 0.630 -8.944 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.890 1.982 -10.054 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.157 0.754 -11.752 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.450 -0.565 -10.636 1.00 0.00 H new ATOM 1287 N LEU A 81 4.375 2.467 -6.945 1.00 0.00 N ATOM 1288 CA LEU A 81 4.238 3.485 -5.910 1.00 0.00 C ATOM 1289 C LEU A 81 5.548 4.224 -5.736 1.00 0.00 C ATOM 1290 O LEU A 81 5.567 5.451 -5.672 1.00 0.00 O ATOM 1291 CB LEU A 81 3.773 2.908 -4.569 1.00 0.00 C ATOM 1292 CG LEU A 81 2.390 2.252 -4.541 1.00 0.00 C ATOM 1293 CD1 LEU A 81 2.083 1.752 -3.146 1.00 0.00 C ATOM 1294 CD2 LEU A 81 1.309 3.221 -5.010 1.00 0.00 C ATOM 0 H LEU A 81 4.249 1.507 -6.624 1.00 0.00 H new ATOM 0 HA LEU A 81 3.464 4.177 -6.241 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.506 2.169 -4.245 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.783 3.711 -3.832 1.00 0.00 H new ATOM 0 HG LEU A 81 2.399 1.406 -5.229 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.097 1.287 -3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.833 1.019 -2.849 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.097 2.589 -2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.338 2.726 -4.979 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.293 4.093 -4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.522 3.538 -6.031 1.00 0.00 H new ATOM 1306 N THR A 82 6.647 3.479 -5.736 1.00 0.00 N ATOM 1307 CA THR A 82 7.955 4.085 -5.630 1.00 0.00 C ATOM 1308 C THR A 82 8.206 4.984 -6.841 1.00 0.00 C ATOM 1309 O THR A 82 8.707 6.068 -6.694 1.00 0.00 O ATOM 1310 CB THR A 82 9.072 3.022 -5.496 1.00 0.00 C ATOM 1311 OG1 THR A 82 8.812 2.182 -4.345 1.00 0.00 O ATOM 1312 CG2 THR A 82 10.436 3.681 -5.334 1.00 0.00 C ATOM 0 H THR A 82 6.652 2.462 -5.808 1.00 0.00 H new ATOM 0 HA THR A 82 7.977 4.689 -4.723 1.00 0.00 H new ATOM 0 HB THR A 82 9.079 2.420 -6.405 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.215 1.449 -4.603 1.00 0.00 H new ATOM 0 HG21 THR A 82 11.203 2.912 -5.242 1.00 0.00 H new ATOM 0 HG22 THR A 82 10.646 4.301 -6.206 1.00 0.00 H new ATOM 0 HG23 THR A 82 10.436 4.302 -4.438 1.00 0.00 H new ATOM 1320 N ALA A 83 7.763 4.543 -8.016 1.00 0.00 N ATOM 1321 CA ALA A 83 7.914 5.308 -9.251 1.00 0.00 C ATOM 1322 C ALA A 83 7.166 6.646 -9.186 1.00 0.00 C ATOM 1323 O ALA A 83 7.470 7.571 -9.924 1.00 0.00 O ATOM 1324 CB ALA A 83 7.446 4.495 -10.449 1.00 0.00 C ATOM 0 H ALA A 83 7.290 3.647 -8.139 1.00 0.00 H new ATOM 0 HA ALA A 83 8.975 5.528 -9.370 1.00 0.00 H new ATOM 0 HB1 ALA A 83 7.567 5.084 -11.358 1.00 0.00 H new ATOM 0 HB2 ALA A 83 8.040 3.584 -10.525 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.395 4.234 -10.323 1.00 0.00 H new ATOM 1330 N HIS A 84 6.161 6.727 -8.339 1.00 0.00 N ATOM 1331 CA HIS A 84 5.432 7.976 -8.174 1.00 0.00 C ATOM 1332 C HIS A 84 5.940 8.829 -7.027 1.00 0.00 C ATOM 1333 O HIS A 84 6.131 10.032 -7.192 1.00 0.00 O ATOM 1334 CB HIS A 84 3.923 7.764 -8.085 1.00 0.00 C ATOM 1335 CG HIS A 84 3.305 7.438 -9.402 1.00 0.00 C ATOM 1336 ND1 HIS A 84 2.671 8.371 -10.177 1.00 0.00 N ATOM 1337 CD2 HIS A 84 3.244 6.280 -10.092 1.00 0.00 C ATOM 1338 CE1 HIS A 84 2.251 7.809 -11.287 1.00 0.00 C ATOM 1339 NE2 HIS A 84 2.586 6.536 -11.260 1.00 0.00 N ATOM 0 H HIS A 84 5.830 5.956 -7.759 1.00 0.00 H new ATOM 0 HA HIS A 84 5.631 8.541 -9.085 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.715 6.957 -7.382 1.00 0.00 H new ATOM 0 HB3 HIS A 84 3.458 8.664 -7.684 1.00 0.00 H new ATOM 0 HD2 HIS A 84 3.642 5.327 -9.778 1.00 0.00 H new ATOM 0 HE1 HIS A 84 1.721 8.306 -12.086 1.00 0.00 H new ATOM 0 HE2 HIS A 84 2.387 5.854 -11.991 1.00 0.00 H new ATOM 1348 N PHE A 85 6.174 8.227 -5.888 1.00 0.00 N ATOM 1349 CA PHE A 85 6.608 8.989 -4.721 1.00 0.00 C ATOM 1350 C PHE A 85 8.096 9.337 -4.774 1.00 0.00 C ATOM 1351 O PHE A 85 8.469 10.510 -4.698 1.00 0.00 O ATOM 1352 CB PHE A 85 6.255 8.264 -3.417 1.00 0.00 C ATOM 1353 CG PHE A 85 4.771 8.192 -3.112 1.00 0.00 C ATOM 1354 CD1 PHE A 85 3.947 7.284 -3.760 1.00 0.00 C ATOM 1355 CD2 PHE A 85 4.211 9.029 -2.167 1.00 0.00 C ATOM 1356 CE1 PHE A 85 2.600 7.215 -3.472 1.00 0.00 C ATOM 1357 CE2 PHE A 85 2.864 8.965 -1.873 1.00 0.00 C ATOM 1358 CZ PHE A 85 2.058 8.057 -2.526 1.00 0.00 C ATOM 0 H PHE A 85 6.076 7.224 -5.734 1.00 0.00 H new ATOM 0 HA PHE A 85 6.061 9.931 -4.741 1.00 0.00 H new ATOM 0 HB2 PHE A 85 6.652 7.250 -3.462 1.00 0.00 H new ATOM 0 HB3 PHE A 85 6.758 8.766 -2.591 1.00 0.00 H new ATOM 0 HD1 PHE A 85 4.367 6.621 -4.502 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.836 9.743 -1.651 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.972 6.503 -3.987 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.441 9.626 -1.131 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.004 8.006 -2.296 1.00 0.00 H new ATOM 1368 N ASP A 86 8.938 8.334 -4.936 1.00 0.00 N ATOM 1369 CA ASP A 86 10.393 8.534 -4.966 1.00 0.00 C ATOM 1370 C ASP A 86 11.031 7.734 -6.090 1.00 0.00 C ATOM 1371 O ASP A 86 11.715 6.733 -5.837 1.00 0.00 O ATOM 1372 CB ASP A 86 11.065 8.130 -3.634 1.00 0.00 C ATOM 1373 CG ASP A 86 10.844 9.086 -2.488 1.00 0.00 C ATOM 1374 OD1 ASP A 86 9.785 9.042 -1.834 1.00 0.00 O ATOM 1375 OD2 ASP A 86 11.758 9.881 -2.184 1.00 0.00 O ATOM 0 H ASP A 86 8.647 7.363 -5.050 1.00 0.00 H new ATOM 0 HA ASP A 86 10.550 9.600 -5.131 1.00 0.00 H new ATOM 0 HB2 ASP A 86 10.696 7.147 -3.343 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.137 8.031 -3.802 1.00 0.00 H new ATOM 1380 N PRO A 87 10.815 8.124 -7.365 1.00 0.00 N ATOM 1381 CA PRO A 87 11.363 7.383 -8.507 1.00 0.00 C ATOM 1382 C PRO A 87 12.874 7.539 -8.622 1.00 0.00 C ATOM 1383 O PRO A 87 13.534 6.840 -9.391 1.00 0.00 O ATOM 1384 CB PRO A 87 10.663 8.009 -9.707 1.00 0.00 C ATOM 1385 CG PRO A 87 10.325 9.388 -9.266 1.00 0.00 C ATOM 1386 CD PRO A 87 9.996 9.279 -7.808 1.00 0.00 C ATOM 0 HA PRO A 87 11.195 6.310 -8.418 1.00 0.00 H new ATOM 0 HB2 PRO A 87 11.312 8.021 -10.583 1.00 0.00 H new ATOM 0 HB3 PRO A 87 9.768 7.450 -9.980 1.00 0.00 H new ATOM 0 HG2 PRO A 87 11.162 10.067 -9.429 1.00 0.00 H new ATOM 0 HG3 PRO A 87 9.480 9.783 -9.830 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.256 10.189 -7.267 1.00 0.00 H new ATOM 0 HD3 PRO A 87 8.932 9.105 -7.646 1.00 0.00 H new ATOM 1394 N ASP A 88 13.419 8.445 -7.843 1.00 0.00 N ATOM 1395 CA ASP A 88 14.848 8.684 -7.822 1.00 0.00 C ATOM 1396 C ASP A 88 15.497 7.729 -6.834 1.00 0.00 C ATOM 1397 O ASP A 88 16.723 7.646 -6.746 1.00 0.00 O ATOM 1398 CB ASP A 88 15.169 10.142 -7.440 1.00 0.00 C ATOM 1399 CG ASP A 88 14.984 10.456 -5.967 1.00 0.00 C ATOM 1400 OD1 ASP A 88 13.857 10.293 -5.426 1.00 0.00 O ATOM 1401 OD2 ASP A 88 15.959 10.882 -5.320 1.00 0.00 O ATOM 0 H ASP A 88 12.887 9.038 -7.206 1.00 0.00 H new ATOM 0 HA ASP A 88 15.245 8.511 -8.822 1.00 0.00 H new ATOM 0 HB2 ASP A 88 16.200 10.360 -7.719 1.00 0.00 H new ATOM 0 HB3 ASP A 88 14.533 10.807 -8.024 1.00 0.00 H new ATOM 1406 N GLY A 89 14.657 6.992 -6.113 1.00 0.00 N ATOM 1407 CA GLY A 89 15.124 6.024 -5.160 1.00 0.00 C ATOM 1408 C GLY A 89 15.667 4.791 -5.851 1.00 0.00 C ATOM 1409 O GLY A 89 15.469 4.603 -7.054 1.00 0.00 O ATOM 0 H GLY A 89 13.641 7.058 -6.181 1.00 0.00 H new ATOM 0 HA2 GLY A 89 15.902 6.468 -4.539 1.00 0.00 H new ATOM 0 HA3 GLY A 89 14.308 5.741 -4.495 1.00 0.00 H new ATOM 1413 N LYS A 90 16.363 3.970 -5.110 1.00 0.00 N ATOM 1414 CA LYS A 90 16.988 2.772 -5.653 1.00 0.00 C ATOM 1415 C LYS A 90 16.003 1.608 -5.860 1.00 0.00 C ATOM 1416 O LYS A 90 16.369 0.600 -6.470 1.00 0.00 O ATOM 1417 CB LYS A 90 18.162 2.331 -4.767 1.00 0.00 C ATOM 1418 CG LYS A 90 19.243 3.399 -4.587 1.00 0.00 C ATOM 1419 CD LYS A 90 19.855 3.810 -5.916 1.00 0.00 C ATOM 1420 CE LYS A 90 20.905 4.903 -5.750 1.00 0.00 C ATOM 1421 NZ LYS A 90 20.334 6.168 -5.243 1.00 0.00 N ATOM 0 H LYS A 90 16.518 4.105 -4.111 1.00 0.00 H new ATOM 0 HA LYS A 90 17.358 3.040 -6.643 1.00 0.00 H new ATOM 0 HB2 LYS A 90 17.778 2.049 -3.787 1.00 0.00 H new ATOM 0 HB3 LYS A 90 18.615 1.439 -5.200 1.00 0.00 H new ATOM 0 HG2 LYS A 90 18.813 4.273 -4.099 1.00 0.00 H new ATOM 0 HG3 LYS A 90 20.024 3.019 -3.929 1.00 0.00 H new ATOM 0 HD2 LYS A 90 20.310 2.940 -6.390 1.00 0.00 H new ATOM 0 HD3 LYS A 90 19.068 4.162 -6.584 1.00 0.00 H new ATOM 0 HE2 LYS A 90 21.678 4.557 -5.064 1.00 0.00 H new ATOM 0 HE3 LYS A 90 21.388 5.086 -6.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 21.053 6.918 -5.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 19.514 6.436 -5.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 20.033 6.042 -4.256 1.00 0.00 H new ATOM 1435 N TRP A 91 14.768 1.737 -5.333 1.00 0.00 N ATOM 1436 CA TRP A 91 13.729 0.656 -5.360 1.00 0.00 C ATOM 1437 C TRP A 91 14.099 -0.532 -4.465 1.00 0.00 C ATOM 1438 O TRP A 91 13.395 -0.834 -3.503 1.00 0.00 O ATOM 1439 CB TRP A 91 13.391 0.145 -6.784 1.00 0.00 C ATOM 1440 CG TRP A 91 12.395 0.961 -7.548 1.00 0.00 C ATOM 1441 CD1 TRP A 91 11.038 0.835 -7.487 1.00 0.00 C ATOM 1442 CD2 TRP A 91 12.657 1.987 -8.514 1.00 0.00 C ATOM 1443 NE1 TRP A 91 10.440 1.730 -8.334 1.00 0.00 N ATOM 1444 CE2 TRP A 91 11.408 2.448 -8.981 1.00 0.00 C ATOM 1445 CE3 TRP A 91 13.819 2.566 -9.024 1.00 0.00 C ATOM 1446 CZ2 TRP A 91 11.292 3.455 -9.931 1.00 0.00 C ATOM 1447 CZ3 TRP A 91 13.700 3.564 -9.971 1.00 0.00 C ATOM 1448 CH2 TRP A 91 12.446 3.999 -10.415 1.00 0.00 C ATOM 0 H TRP A 91 14.451 2.590 -4.873 1.00 0.00 H new ATOM 0 HA TRP A 91 12.834 1.136 -4.964 1.00 0.00 H new ATOM 0 HB2 TRP A 91 14.314 0.098 -7.362 1.00 0.00 H new ATOM 0 HB3 TRP A 91 13.013 -0.874 -6.704 1.00 0.00 H new ATOM 0 HD1 TRP A 91 10.511 0.131 -6.861 1.00 0.00 H new ATOM 0 HE1 TRP A 91 9.434 1.843 -8.462 1.00 0.00 H new ATOM 0 HE3 TRP A 91 14.792 2.241 -8.685 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 10.326 3.794 -10.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 14.592 4.018 -10.377 1.00 0.00 H new ATOM 0 HH2 TRP A 91 12.391 4.782 -11.157 1.00 0.00 H new ATOM 1459 N ARG A 92 15.209 -1.165 -4.784 1.00 0.00 N ATOM 1460 CA ARG A 92 15.714 -2.349 -4.092 1.00 0.00 C ATOM 1461 C ARG A 92 15.941 -2.093 -2.611 1.00 0.00 C ATOM 1462 O ARG A 92 15.422 -2.821 -1.775 1.00 0.00 O ATOM 1463 CB ARG A 92 17.024 -2.791 -4.725 1.00 0.00 C ATOM 1464 CG ARG A 92 16.923 -3.321 -6.148 1.00 0.00 C ATOM 1465 CD ARG A 92 16.252 -4.694 -6.214 1.00 0.00 C ATOM 1466 NE ARG A 92 14.780 -4.682 -6.043 1.00 0.00 N ATOM 1467 CZ ARG A 92 14.091 -5.690 -5.474 1.00 0.00 C ATOM 1468 NH1 ARG A 92 14.695 -6.502 -4.607 1.00 0.00 N ATOM 1469 NH2 ARG A 92 12.781 -5.805 -5.687 1.00 0.00 N ATOM 0 H ARG A 92 15.808 -0.867 -5.554 1.00 0.00 H new ATOM 0 HA ARG A 92 14.959 -3.129 -4.188 1.00 0.00 H new ATOM 0 HB2 ARG A 92 17.712 -1.946 -4.720 1.00 0.00 H new ATOM 0 HB3 ARG A 92 17.466 -3.566 -4.099 1.00 0.00 H new ATOM 0 HG2 ARG A 92 16.359 -2.614 -6.756 1.00 0.00 H new ATOM 0 HG3 ARG A 92 17.922 -3.387 -6.580 1.00 0.00 H new ATOM 0 HD2 ARG A 92 16.487 -5.150 -7.176 1.00 0.00 H new ATOM 0 HD3 ARG A 92 16.687 -5.331 -5.444 1.00 0.00 H new ATOM 0 HE ARG A 92 14.262 -3.868 -6.373 1.00 0.00 H new ATOM 0 HH11 ARG A 92 15.678 -6.360 -4.375 1.00 0.00 H new ATOM 0 HH12 ARG A 92 14.174 -7.266 -4.176 1.00 0.00 H new ATOM 0 HH21 ARG A 92 12.300 -5.130 -6.281 1.00 0.00 H new ATOM 0 HH22 ARG A 92 12.259 -6.568 -5.256 1.00 0.00 H new ATOM 1483 N LYS A 93 16.689 -1.030 -2.311 1.00 0.00 N ATOM 1484 CA LYS A 93 17.060 -0.656 -0.938 1.00 0.00 C ATOM 1485 C LYS A 93 15.843 -0.635 -0.013 1.00 0.00 C ATOM 1486 O LYS A 93 15.806 -1.340 0.996 1.00 0.00 O ATOM 1487 CB LYS A 93 17.714 0.733 -0.939 1.00 0.00 C ATOM 1488 CG LYS A 93 18.117 1.238 0.441 1.00 0.00 C ATOM 1489 CD LYS A 93 18.564 2.688 0.392 1.00 0.00 C ATOM 1490 CE LYS A 93 18.971 3.180 1.769 1.00 0.00 C ATOM 1491 NZ LYS A 93 19.344 4.606 1.761 1.00 0.00 N ATOM 0 H LYS A 93 17.060 -0.396 -3.019 1.00 0.00 H new ATOM 0 HA LYS A 93 17.761 -1.404 -0.567 1.00 0.00 H new ATOM 0 HB2 LYS A 93 18.599 0.705 -1.575 1.00 0.00 H new ATOM 0 HB3 LYS A 93 17.022 1.447 -1.386 1.00 0.00 H new ATOM 0 HG2 LYS A 93 17.275 1.138 1.127 1.00 0.00 H new ATOM 0 HG3 LYS A 93 18.924 0.620 0.835 1.00 0.00 H new ATOM 0 HD2 LYS A 93 19.402 2.790 -0.297 1.00 0.00 H new ATOM 0 HD3 LYS A 93 17.756 3.308 0.005 1.00 0.00 H new ATOM 0 HE2 LYS A 93 18.148 3.025 2.467 1.00 0.00 H new ATOM 0 HE3 LYS A 93 19.812 2.588 2.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 19.615 4.899 2.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 20.146 4.751 1.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 18.534 5.175 1.441 1.00 0.00 H new ATOM 1505 N LYS A 94 14.850 0.144 -0.396 1.00 0.00 N ATOM 1506 CA LYS A 94 13.642 0.317 0.392 1.00 0.00 C ATOM 1507 C LYS A 94 12.796 -0.964 0.422 1.00 0.00 C ATOM 1508 O LYS A 94 12.219 -1.301 1.456 1.00 0.00 O ATOM 1509 CB LYS A 94 12.850 1.534 -0.142 1.00 0.00 C ATOM 1510 CG LYS A 94 12.422 1.405 -1.603 1.00 0.00 C ATOM 1511 CD LYS A 94 12.162 2.751 -2.265 1.00 0.00 C ATOM 1512 CE LYS A 94 11.020 3.530 -1.643 1.00 0.00 C ATOM 1513 NZ LYS A 94 9.706 2.864 -1.803 1.00 0.00 N ATOM 0 H LYS A 94 14.857 0.677 -1.265 1.00 0.00 H new ATOM 0 HA LYS A 94 13.918 0.516 1.428 1.00 0.00 H new ATOM 0 HB2 LYS A 94 11.962 1.676 0.475 1.00 0.00 H new ATOM 0 HB3 LYS A 94 13.462 2.429 -0.031 1.00 0.00 H new ATOM 0 HG2 LYS A 94 13.197 0.876 -2.158 1.00 0.00 H new ATOM 0 HG3 LYS A 94 11.519 0.797 -1.660 1.00 0.00 H new ATOM 0 HD2 LYS A 94 13.070 3.352 -2.213 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.946 2.590 -3.321 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.221 3.673 -0.581 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.976 4.521 -2.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.946 3.532 -1.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.592 2.553 -2.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.656 2.039 -1.172 1.00 0.00 H new ATOM 1527 N TYR A 95 12.780 -1.694 -0.699 1.00 0.00 N ATOM 1528 CA TYR A 95 12.003 -2.929 -0.823 1.00 0.00 C ATOM 1529 C TYR A 95 12.529 -3.974 0.139 1.00 0.00 C ATOM 1530 O TYR A 95 11.800 -4.480 1.002 1.00 0.00 O ATOM 1531 CB TYR A 95 12.106 -3.465 -2.274 1.00 0.00 C ATOM 1532 CG TYR A 95 11.337 -4.750 -2.555 1.00 0.00 C ATOM 1533 CD1 TYR A 95 11.894 -6.002 -2.289 1.00 0.00 C ATOM 1534 CD2 TYR A 95 10.066 -4.710 -3.092 1.00 0.00 C ATOM 1535 CE1 TYR A 95 11.201 -7.162 -2.550 1.00 0.00 C ATOM 1536 CE2 TYR A 95 9.369 -5.866 -3.355 1.00 0.00 C ATOM 1537 CZ TYR A 95 9.940 -7.087 -3.081 1.00 0.00 C ATOM 1538 OH TYR A 95 9.240 -8.236 -3.341 1.00 0.00 O ATOM 0 H TYR A 95 13.302 -1.446 -1.540 1.00 0.00 H new ATOM 0 HA TYR A 95 10.961 -2.717 -0.584 1.00 0.00 H new ATOM 0 HB2 TYR A 95 11.749 -2.692 -2.954 1.00 0.00 H new ATOM 0 HB3 TYR A 95 13.157 -3.633 -2.507 1.00 0.00 H new ATOM 0 HD1 TYR A 95 12.888 -6.061 -1.870 1.00 0.00 H new ATOM 0 HD2 TYR A 95 9.611 -3.755 -3.309 1.00 0.00 H new ATOM 0 HE1 TYR A 95 11.647 -8.123 -2.338 1.00 0.00 H new ATOM 0 HE2 TYR A 95 8.376 -5.815 -3.776 1.00 0.00 H new ATOM 0 HH TYR A 95 9.509 -8.934 -2.708 1.00 0.00 H new ATOM 1548 N GLU A 96 13.803 -4.239 0.014 1.00 0.00 N ATOM 1549 CA GLU A 96 14.463 -5.275 0.754 1.00 0.00 C ATOM 1550 C GLU A 96 14.574 -4.932 2.232 1.00 0.00 C ATOM 1551 O GLU A 96 14.521 -5.819 3.080 1.00 0.00 O ATOM 1552 CB GLU A 96 15.822 -5.583 0.104 1.00 0.00 C ATOM 1553 CG GLU A 96 15.664 -6.139 -1.320 1.00 0.00 C ATOM 1554 CD GLU A 96 16.962 -6.314 -2.080 1.00 0.00 C ATOM 1555 OE1 GLU A 96 17.927 -6.865 -1.522 1.00 0.00 O ATOM 1556 OE2 GLU A 96 17.007 -5.963 -3.284 1.00 0.00 O ATOM 0 H GLU A 96 14.420 -3.729 -0.618 1.00 0.00 H new ATOM 0 HA GLU A 96 13.860 -6.182 0.714 1.00 0.00 H new ATOM 0 HB2 GLU A 96 16.424 -4.675 0.074 1.00 0.00 H new ATOM 0 HB3 GLU A 96 16.363 -6.304 0.717 1.00 0.00 H new ATOM 0 HG2 GLU A 96 15.159 -7.103 -1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 96 15.015 -5.471 -1.886 1.00 0.00 H new ATOM 1563 N ASP A 97 14.668 -3.645 2.544 1.00 0.00 N ATOM 1564 CA ASP A 97 14.759 -3.218 3.945 1.00 0.00 C ATOM 1565 C ASP A 97 13.438 -3.373 4.661 1.00 0.00 C ATOM 1566 O ASP A 97 13.359 -4.043 5.691 1.00 0.00 O ATOM 1567 CB ASP A 97 15.215 -1.769 4.080 1.00 0.00 C ATOM 1568 CG ASP A 97 15.289 -1.334 5.531 1.00 0.00 C ATOM 1569 OD1 ASP A 97 16.272 -1.675 6.218 1.00 0.00 O ATOM 1570 OD2 ASP A 97 14.374 -0.633 6.010 1.00 0.00 O ATOM 0 H ASP A 97 14.684 -2.886 1.863 1.00 0.00 H new ATOM 0 HA ASP A 97 15.504 -3.868 4.403 1.00 0.00 H new ATOM 0 HB2 ASP A 97 16.194 -1.651 3.615 1.00 0.00 H new ATOM 0 HB3 ASP A 97 14.526 -1.119 3.541 1.00 0.00 H new ATOM 1575 N ARG A 98 12.391 -2.782 4.101 1.00 0.00 N ATOM 1576 CA ARG A 98 11.095 -2.806 4.747 1.00 0.00 C ATOM 1577 C ARG A 98 10.545 -4.215 4.844 1.00 0.00 C ATOM 1578 O ARG A 98 10.068 -4.610 5.894 1.00 0.00 O ATOM 1579 CB ARG A 98 10.089 -1.858 4.084 1.00 0.00 C ATOM 1580 CG ARG A 98 10.400 -0.349 4.209 1.00 0.00 C ATOM 1581 CD ARG A 98 10.383 0.165 5.666 1.00 0.00 C ATOM 1582 NE ARG A 98 11.574 -0.240 6.450 1.00 0.00 N ATOM 1583 CZ ARG A 98 11.656 -0.274 7.792 1.00 0.00 C ATOM 1584 NH1 ARG A 98 10.616 0.055 8.554 1.00 0.00 N ATOM 1585 NH2 ARG A 98 12.804 -0.610 8.359 1.00 0.00 N ATOM 0 H ARG A 98 12.417 -2.286 3.210 1.00 0.00 H new ATOM 0 HA ARG A 98 11.250 -2.439 5.762 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.025 -2.110 3.025 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.105 -2.044 4.516 1.00 0.00 H new ATOM 0 HG2 ARG A 98 11.379 -0.151 3.774 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.672 0.214 3.625 1.00 0.00 H new ATOM 0 HD2 ARG A 98 10.316 1.253 5.658 1.00 0.00 H new ATOM 0 HD3 ARG A 98 9.487 -0.206 6.163 1.00 0.00 H new ATOM 0 HE ARG A 98 12.404 -0.517 5.926 1.00 0.00 H new ATOM 0 HH11 ARG A 98 9.737 0.339 8.122 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.698 0.023 9.570 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.611 -0.839 7.779 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.881 -0.640 9.376 1.00 0.00 H new ATOM 1599 N ALA A 99 10.661 -4.989 3.778 1.00 0.00 N ATOM 1600 CA ALA A 99 10.173 -6.357 3.788 1.00 0.00 C ATOM 1601 C ALA A 99 10.889 -7.179 4.863 1.00 0.00 C ATOM 1602 O ALA A 99 10.243 -7.871 5.655 1.00 0.00 O ATOM 1603 CB ALA A 99 10.340 -6.997 2.420 1.00 0.00 C ATOM 0 H ALA A 99 11.087 -4.695 2.899 1.00 0.00 H new ATOM 0 HA ALA A 99 9.110 -6.338 4.027 1.00 0.00 H new ATOM 0 HB1 ALA A 99 9.968 -8.021 2.450 1.00 0.00 H new ATOM 0 HB2 ALA A 99 9.777 -6.428 1.681 1.00 0.00 H new ATOM 0 HB3 ALA A 99 11.395 -7.002 2.147 1.00 0.00 H new ATOM 1609 N LYS A 100 12.206 -7.048 4.930 1.00 0.00 N ATOM 1610 CA LYS A 100 12.995 -7.785 5.896 1.00 0.00 C ATOM 1611 C LYS A 100 12.621 -7.364 7.323 1.00 0.00 C ATOM 1612 O LYS A 100 12.436 -8.207 8.196 1.00 0.00 O ATOM 1613 CB LYS A 100 14.497 -7.567 5.644 1.00 0.00 C ATOM 1614 CG LYS A 100 15.413 -8.446 6.478 1.00 0.00 C ATOM 1615 CD LYS A 100 15.232 -9.913 6.140 1.00 0.00 C ATOM 1616 CE LYS A 100 16.076 -10.800 7.036 1.00 0.00 C ATOM 1617 NZ LYS A 100 15.904 -12.231 6.719 1.00 0.00 N ATOM 0 H LYS A 100 12.749 -6.435 4.322 1.00 0.00 H new ATOM 0 HA LYS A 100 12.779 -8.847 5.782 1.00 0.00 H new ATOM 0 HB2 LYS A 100 14.705 -7.746 4.589 1.00 0.00 H new ATOM 0 HB3 LYS A 100 14.737 -6.523 5.843 1.00 0.00 H new ATOM 0 HG2 LYS A 100 16.450 -8.157 6.308 1.00 0.00 H new ATOM 0 HG3 LYS A 100 15.207 -8.287 7.537 1.00 0.00 H new ATOM 0 HD2 LYS A 100 14.181 -10.184 6.244 1.00 0.00 H new ATOM 0 HD3 LYS A 100 15.504 -10.083 5.098 1.00 0.00 H new ATOM 0 HE2 LYS A 100 17.126 -10.529 6.929 1.00 0.00 H new ATOM 0 HE3 LYS A 100 15.806 -10.625 8.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 16.751 -12.757 7.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 15.073 -12.601 7.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 15.767 -12.346 5.694 1.00 0.00 H new ATOM 1631 N ALA A 101 12.451 -6.065 7.522 1.00 0.00 N ATOM 1632 CA ALA A 101 12.126 -5.507 8.833 1.00 0.00 C ATOM 1633 C ALA A 101 10.737 -5.936 9.299 1.00 0.00 C ATOM 1634 O ALA A 101 10.550 -6.305 10.458 1.00 0.00 O ATOM 1635 CB ALA A 101 12.225 -3.993 8.808 1.00 0.00 C ATOM 0 H ALA A 101 12.534 -5.367 6.783 1.00 0.00 H new ATOM 0 HA ALA A 101 12.853 -5.899 9.544 1.00 0.00 H new ATOM 0 HB1 ALA A 101 11.979 -3.596 9.793 1.00 0.00 H new ATOM 0 HB2 ALA A 101 13.240 -3.699 8.541 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.527 -3.595 8.072 1.00 0.00 H new ATOM 1641 N LYS A 102 9.773 -5.891 8.388 1.00 0.00 N ATOM 1642 CA LYS A 102 8.401 -6.281 8.671 1.00 0.00 C ATOM 1643 C LYS A 102 8.263 -7.776 8.960 1.00 0.00 C ATOM 1644 O LYS A 102 7.337 -8.191 9.650 1.00 0.00 O ATOM 1645 CB LYS A 102 7.471 -5.864 7.526 1.00 0.00 C ATOM 1646 CG LYS A 102 6.934 -4.416 7.564 1.00 0.00 C ATOM 1647 CD LYS A 102 7.993 -3.306 7.585 1.00 0.00 C ATOM 1648 CE LYS A 102 8.344 -2.833 9.004 1.00 0.00 C ATOM 1649 NZ LYS A 102 7.235 -2.074 9.643 1.00 0.00 N ATOM 0 H LYS A 102 9.924 -5.581 7.428 1.00 0.00 H new ATOM 0 HA LYS A 102 8.104 -5.754 9.578 1.00 0.00 H new ATOM 0 HB2 LYS A 102 8.004 -6.005 6.586 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.619 -6.543 7.515 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.294 -4.264 6.695 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.304 -4.306 8.447 1.00 0.00 H new ATOM 0 HD2 LYS A 102 8.897 -3.666 7.095 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.632 -2.457 7.005 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.591 -3.697 9.621 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.234 -2.205 8.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 7.623 -1.436 10.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 6.735 -1.516 8.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 6.570 -2.739 10.088 1.00 0.00 H new ATOM 1663 N GLY A 103 9.178 -8.566 8.456 1.00 0.00 N ATOM 1664 CA GLY A 103 9.129 -9.990 8.721 1.00 0.00 C ATOM 1665 C GLY A 103 8.747 -10.795 7.502 1.00 0.00 C ATOM 1666 O GLY A 103 8.107 -11.845 7.601 1.00 0.00 O ATOM 0 H GLY A 103 9.954 -8.259 7.870 1.00 0.00 H new ATOM 0 HA2 GLY A 103 10.103 -10.322 9.081 1.00 0.00 H new ATOM 0 HA3 GLY A 103 8.412 -10.183 9.519 1.00 0.00 H new ATOM 1670 N ILE A 104 9.105 -10.297 6.354 1.00 0.00 N ATOM 1671 CA ILE A 104 8.855 -10.984 5.121 1.00 0.00 C ATOM 1672 C ILE A 104 10.075 -11.798 4.766 1.00 0.00 C ATOM 1673 O ILE A 104 11.209 -11.332 4.926 1.00 0.00 O ATOM 1674 CB ILE A 104 8.490 -9.983 3.984 1.00 0.00 C ATOM 1675 CG1 ILE A 104 7.180 -9.253 4.324 1.00 0.00 C ATOM 1676 CG2 ILE A 104 8.395 -10.660 2.620 1.00 0.00 C ATOM 1677 CD1 ILE A 104 5.992 -10.181 4.513 1.00 0.00 C ATOM 0 H ILE A 104 9.580 -9.401 6.247 1.00 0.00 H new ATOM 0 HA ILE A 104 8.000 -11.649 5.241 1.00 0.00 H new ATOM 0 HB ILE A 104 9.299 -9.256 3.916 1.00 0.00 H new ATOM 0 HG12 ILE A 104 7.324 -8.673 5.235 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.953 -8.544 3.528 1.00 0.00 H new ATOM 0 HG21 ILE A 104 8.138 -9.919 1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 104 9.354 -11.115 2.372 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.625 -11.431 2.649 1.00 0.00 H new ATOM 0 HD11 ILE A 104 5.105 -9.593 4.750 1.00 0.00 H new ATOM 0 HD12 ILE A 104 5.820 -10.743 3.595 1.00 0.00 H new ATOM 0 HD13 ILE A 104 6.197 -10.873 5.329 1.00 0.00 H new ATOM 1689 N VAL A 105 9.862 -13.016 4.354 1.00 0.00 N ATOM 1690 CA VAL A 105 10.951 -13.875 3.999 1.00 0.00 C ATOM 1691 C VAL A 105 11.340 -13.718 2.528 1.00 0.00 C ATOM 1692 O VAL A 105 10.683 -14.217 1.622 1.00 0.00 O ATOM 1693 CB VAL A 105 10.700 -15.375 4.383 1.00 0.00 C ATOM 1694 CG1 VAL A 105 10.697 -15.536 5.896 1.00 0.00 C ATOM 1695 CG2 VAL A 105 9.377 -15.892 3.813 1.00 0.00 C ATOM 0 H VAL A 105 8.938 -13.436 4.256 1.00 0.00 H new ATOM 0 HA VAL A 105 11.802 -13.551 4.598 1.00 0.00 H new ATOM 0 HB VAL A 105 11.510 -15.963 3.951 1.00 0.00 H new ATOM 0 HG11 VAL A 105 10.522 -16.581 6.150 1.00 0.00 H new ATOM 0 HG12 VAL A 105 11.660 -15.221 6.297 1.00 0.00 H new ATOM 0 HG13 VAL A 105 9.907 -14.921 6.326 1.00 0.00 H new ATOM 0 HG21 VAL A 105 9.239 -16.934 4.101 1.00 0.00 H new ATOM 0 HG22 VAL A 105 8.554 -15.295 4.206 1.00 0.00 H new ATOM 0 HG23 VAL A 105 9.394 -15.815 2.726 1.00 0.00 H new ATOM 1705 N ILE A 106 12.379 -12.970 2.309 1.00 0.00 N ATOM 1706 CA ILE A 106 12.960 -12.798 0.995 1.00 0.00 C ATOM 1707 C ILE A 106 14.350 -13.396 1.070 1.00 0.00 C ATOM 1708 O ILE A 106 14.820 -13.634 2.187 1.00 0.00 O ATOM 1709 CB ILE A 106 13.018 -11.292 0.489 1.00 0.00 C ATOM 1710 CG1 ILE A 106 13.851 -10.337 1.406 1.00 0.00 C ATOM 1711 CG2 ILE A 106 11.615 -10.738 0.255 1.00 0.00 C ATOM 1712 CD1 ILE A 106 13.208 -9.958 2.730 1.00 0.00 C ATOM 0 H ILE A 106 12.860 -12.451 3.043 1.00 0.00 H new ATOM 0 HA ILE A 106 12.326 -13.296 0.261 1.00 0.00 H new ATOM 0 HB ILE A 106 13.553 -11.325 -0.460 1.00 0.00 H new ATOM 0 HG12 ILE A 106 14.811 -10.810 1.613 1.00 0.00 H new ATOM 0 HG13 ILE A 106 14.059 -9.422 0.851 1.00 0.00 H new ATOM 0 HG21 ILE A 106 11.684 -9.707 -0.091 1.00 0.00 H new ATOM 0 HG22 ILE A 106 11.107 -11.340 -0.499 1.00 0.00 H new ATOM 0 HG23 ILE A 106 11.051 -10.771 1.187 1.00 0.00 H new ATOM 0 HD11 ILE A 106 13.874 -9.294 3.281 1.00 0.00 H new ATOM 0 HD12 ILE A 106 12.262 -9.449 2.543 1.00 0.00 H new ATOM 0 HD13 ILE A 106 13.026 -10.858 3.317 1.00 0.00 H new ATOM 1724 N PRO A 107 15.021 -13.711 -0.057 1.00 0.00 N ATOM 1725 CA PRO A 107 16.349 -14.329 0.001 1.00 0.00 C ATOM 1726 C PRO A 107 17.366 -13.416 0.685 1.00 0.00 C ATOM 1727 O PRO A 107 17.797 -12.411 0.120 1.00 0.00 O ATOM 1728 CB PRO A 107 16.722 -14.546 -1.477 1.00 0.00 C ATOM 1729 CG PRO A 107 15.426 -14.474 -2.214 1.00 0.00 C ATOM 1730 CD PRO A 107 14.568 -13.513 -1.444 1.00 0.00 C ATOM 0 HA PRO A 107 16.347 -15.252 0.581 1.00 0.00 H new ATOM 0 HB2 PRO A 107 17.418 -13.782 -1.825 1.00 0.00 H new ATOM 0 HB3 PRO A 107 17.208 -15.511 -1.625 1.00 0.00 H new ATOM 0 HG2 PRO A 107 15.577 -14.130 -3.237 1.00 0.00 H new ATOM 0 HG3 PRO A 107 14.956 -15.456 -2.274 1.00 0.00 H new ATOM 0 HD2 PRO A 107 14.715 -12.485 -1.775 1.00 0.00 H new ATOM 0 HD3 PRO A 107 13.507 -13.736 -1.559 1.00 0.00 H new ATOM 1738 N GLU A 108 17.712 -13.771 1.897 1.00 0.00 N ATOM 1739 CA GLU A 108 18.611 -13.056 2.715 1.00 0.00 C ATOM 1740 C GLU A 108 19.083 -14.040 3.778 1.00 0.00 C ATOM 1741 O GLU A 108 20.136 -14.667 3.606 1.00 0.00 O ATOM 1742 CB GLU A 108 17.862 -11.889 3.369 1.00 0.00 C ATOM 1743 CG GLU A 108 18.689 -11.073 4.319 1.00 0.00 C ATOM 1744 CD GLU A 108 19.737 -10.229 3.642 1.00 0.00 C ATOM 1745 OE1 GLU A 108 19.430 -9.065 3.288 1.00 0.00 O ATOM 1746 OE2 GLU A 108 20.882 -10.686 3.480 1.00 0.00 O ATOM 1747 OXT GLU A 108 18.338 -14.261 4.756 1.00 0.00 O ATOM 0 H GLU A 108 17.346 -14.611 2.346 1.00 0.00 H new ATOM 0 HA GLU A 108 19.453 -12.652 2.153 1.00 0.00 H new ATOM 0 HB2 GLU A 108 17.480 -11.235 2.586 1.00 0.00 H new ATOM 0 HB3 GLU A 108 16.998 -12.283 3.905 1.00 0.00 H new ATOM 0 HG2 GLU A 108 18.029 -10.424 4.895 1.00 0.00 H new ATOM 0 HG3 GLU A 108 19.177 -11.742 5.028 1.00 0.00 H new TER 1754 GLU A 108