USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 491 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= -0.0176 (180deg=-0.222) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0.849 K(o=0.85,f=-0.017) USER MOD Single : A 10 LYS NZ :NH3+ 139:sc= 0.00691 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -175:sc= 0.0434 (180deg=0.037) USER MOD Single : A 21 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0832) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -77:sc= 1.18 USER MOD Single : A 25 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0422) USER MOD Single : A 30 THR OG1 : rot 82:sc= 1.99 USER MOD Single : A 32 THR OG1 : rot 81:sc= 1.18 USER MOD Single : A 33 SER OG : rot 79:sc= 1.21 USER MOD Single : A 35 LYS NZ :NH3+ 143:sc= -0.0093 (180deg=-0.154) USER MOD Single : A 36 SER OG : rot 72:sc= 1.19 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 87:sc= 1.26 USER MOD Single : A 43 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0799) USER MOD Single : A 44 ASN : amide:sc= 1.2 K(o=1.2,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0192) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0.388 K(o=0.39,f=-0.69) USER MOD Single : A 48 GLN : amide:sc= 0.999 K(o=1,f=-0.0021) USER MOD Single : A 49 LYS NZ :NH3+ -171:sc= 0.878 (180deg=0.728) USER MOD Single : A 50 SER OG : rot 180:sc= 0.0017 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.016) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.051 9.660 10.780 1.00 0.00 N ATOM 2 CA MET A 1 -17.344 9.921 9.535 1.00 0.00 C ATOM 3 C MET A 1 -16.379 8.774 9.219 1.00 0.00 C ATOM 4 O MET A 1 -16.137 8.467 8.054 1.00 0.00 O ATOM 5 CB MET A 1 -16.625 11.275 9.633 1.00 0.00 C ATOM 6 CG MET A 1 -16.026 11.729 8.293 1.00 0.00 C ATOM 7 SD MET A 1 -17.220 12.036 6.962 1.00 0.00 S ATOM 8 CE MET A 1 -16.090 12.441 5.613 1.00 0.00 C ATOM 0 H1 MET A 1 -18.838 10.332 10.880 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.424 8.689 10.771 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.397 9.772 11.581 1.00 0.00 H new ATOM 0 HA MET A 1 -18.053 9.975 8.709 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.328 12.030 9.986 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.831 11.207 10.376 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.455 12.642 8.462 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.321 10.970 7.955 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.663 12.658 4.711 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.496 13.314 5.885 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.428 11.596 5.427 1.00 0.00 H new ATOM 18 N ALA A 2 -15.853 8.113 10.256 1.00 0.00 N ATOM 19 CA ALA A 2 -14.946 6.978 10.117 1.00 0.00 C ATOM 20 C ALA A 2 -15.485 5.964 9.104 1.00 0.00 C ATOM 21 O ALA A 2 -14.773 5.555 8.192 1.00 0.00 O ATOM 22 CB ALA A 2 -14.716 6.330 11.485 1.00 0.00 C ATOM 0 H ALA A 2 -16.050 8.358 11.226 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.989 7.336 9.737 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -14.038 5.483 11.377 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.278 7.061 12.165 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -15.668 5.984 11.888 1.00 0.00 H new ATOM 28 N SER A 3 -16.765 5.604 9.232 1.00 0.00 N ATOM 29 CA SER A 3 -17.439 4.716 8.294 1.00 0.00 C ATOM 30 C SER A 3 -17.301 5.229 6.854 1.00 0.00 C ATOM 31 O SER A 3 -16.973 4.467 5.947 1.00 0.00 O ATOM 32 CB SER A 3 -18.913 4.570 8.700 1.00 0.00 C ATOM 33 OG SER A 3 -19.569 3.624 7.881 1.00 0.00 O ATOM 0 H SER A 3 -17.362 5.925 9.995 1.00 0.00 H new ATOM 0 HA SER A 3 -16.968 3.734 8.329 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.978 4.261 9.743 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.414 5.535 8.621 1.00 0.00 H new ATOM 0 HG SER A 3 -20.506 3.546 8.158 1.00 0.00 H new ATOM 39 N VAL A 4 -17.525 6.529 6.638 1.00 0.00 N ATOM 40 CA VAL A 4 -17.421 7.126 5.316 1.00 0.00 C ATOM 41 C VAL A 4 -15.985 6.979 4.817 1.00 0.00 C ATOM 42 O VAL A 4 -15.766 6.498 3.708 1.00 0.00 O ATOM 43 CB VAL A 4 -17.883 8.595 5.338 1.00 0.00 C ATOM 44 CG1 VAL A 4 -17.843 9.198 3.929 1.00 0.00 C ATOM 45 CG2 VAL A 4 -19.308 8.724 5.894 1.00 0.00 C ATOM 0 H VAL A 4 -17.781 7.188 7.373 1.00 0.00 H new ATOM 0 HA VAL A 4 -18.082 6.606 4.622 1.00 0.00 H new ATOM 0 HB VAL A 4 -17.197 9.138 5.988 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -18.173 10.236 3.968 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -16.824 9.156 3.544 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -18.503 8.632 3.272 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -19.604 9.773 5.896 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -19.995 8.154 5.269 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -19.338 8.336 6.912 1.00 0.00 H new ATOM 55 N LEU A 5 -15.002 7.370 5.635 1.00 0.00 N ATOM 56 CA LEU A 5 -13.593 7.250 5.269 1.00 0.00 C ATOM 57 C LEU A 5 -13.260 5.807 4.871 1.00 0.00 C ATOM 58 O LEU A 5 -12.677 5.578 3.813 1.00 0.00 O ATOM 59 CB LEU A 5 -12.681 7.730 6.409 1.00 0.00 C ATOM 60 CG LEU A 5 -12.898 9.198 6.809 1.00 0.00 C ATOM 61 CD1 LEU A 5 -11.991 9.539 7.997 1.00 0.00 C ATOM 62 CD2 LEU A 5 -12.608 10.171 5.659 1.00 0.00 C ATOM 0 H LEU A 5 -15.161 7.774 6.558 1.00 0.00 H new ATOM 0 HA LEU A 5 -13.412 7.893 4.407 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -12.845 7.098 7.282 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -11.642 7.596 6.110 1.00 0.00 H new ATOM 0 HG LEU A 5 -13.949 9.310 7.077 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -12.142 10.580 8.283 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -12.236 8.892 8.839 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -10.949 9.388 7.714 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -12.777 11.194 5.996 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -11.571 10.060 5.342 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -13.269 9.951 4.821 1.00 0.00 H new ATOM 74 N GLU A 6 -13.656 4.840 5.701 1.00 0.00 N ATOM 75 CA GLU A 6 -13.483 3.419 5.431 1.00 0.00 C ATOM 76 C GLU A 6 -14.090 3.051 4.072 1.00 0.00 C ATOM 77 O GLU A 6 -13.417 2.450 3.239 1.00 0.00 O ATOM 78 CB GLU A 6 -14.112 2.598 6.564 1.00 0.00 C ATOM 79 CG GLU A 6 -13.337 2.739 7.884 1.00 0.00 C ATOM 80 CD GLU A 6 -14.188 2.338 9.086 1.00 0.00 C ATOM 81 OE1 GLU A 6 -14.951 1.357 8.942 1.00 0.00 O ATOM 82 OE2 GLU A 6 -14.071 3.024 10.125 1.00 0.00 O ATOM 0 H GLU A 6 -14.113 5.030 6.593 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.419 3.188 5.388 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.143 2.919 6.714 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.144 1.548 6.274 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.442 2.117 7.848 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -13.004 3.770 8.002 1.00 0.00 H new ATOM 89 N GLU A 7 -15.358 3.404 3.840 1.00 0.00 N ATOM 90 CA GLU A 7 -16.030 3.089 2.585 1.00 0.00 C ATOM 91 C GLU A 7 -15.303 3.711 1.388 1.00 0.00 C ATOM 92 O GLU A 7 -15.042 3.021 0.405 1.00 0.00 O ATOM 93 CB GLU A 7 -17.502 3.520 2.644 1.00 0.00 C ATOM 94 CG GLU A 7 -18.330 2.610 3.564 1.00 0.00 C ATOM 95 CD GLU A 7 -18.450 1.190 3.016 1.00 0.00 C ATOM 96 OE1 GLU A 7 -19.074 1.048 1.942 1.00 0.00 O ATOM 97 OE2 GLU A 7 -17.905 0.273 3.666 1.00 0.00 O ATOM 0 H GLU A 7 -15.938 3.910 4.510 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.002 2.009 2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -17.565 4.549 2.999 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -17.926 3.503 1.640 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -17.869 2.579 4.551 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -19.326 3.034 3.690 1.00 0.00 H new ATOM 104 N LEU A 8 -14.960 4.999 1.454 1.00 0.00 N ATOM 105 CA LEU A 8 -14.227 5.660 0.378 1.00 0.00 C ATOM 106 C LEU A 8 -12.888 4.949 0.135 1.00 0.00 C ATOM 107 O LEU A 8 -12.551 4.622 -1.002 1.00 0.00 O ATOM 108 CB LEU A 8 -14.028 7.152 0.697 1.00 0.00 C ATOM 109 CG LEU A 8 -15.340 7.957 0.759 1.00 0.00 C ATOM 110 CD1 LEU A 8 -15.022 9.361 1.282 1.00 0.00 C ATOM 111 CD2 LEU A 8 -16.021 8.079 -0.610 1.00 0.00 C ATOM 0 H LEU A 8 -15.180 5.605 2.245 1.00 0.00 H new ATOM 0 HA LEU A 8 -14.811 5.597 -0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -13.511 7.244 1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -13.379 7.592 -0.060 1.00 0.00 H new ATOM 0 HG LEU A 8 -16.027 7.428 1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -15.940 9.947 1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -14.582 9.288 2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.317 9.849 0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -16.941 8.655 -0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -15.351 8.584 -1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -16.256 7.085 -0.989 1.00 0.00 H new ATOM 123 N GLN A 9 -12.136 4.674 1.203 1.00 0.00 N ATOM 124 CA GLN A 9 -10.878 3.945 1.120 1.00 0.00 C ATOM 125 C GLN A 9 -11.086 2.580 0.458 1.00 0.00 C ATOM 126 O GLN A 9 -10.283 2.168 -0.380 1.00 0.00 O ATOM 127 CB GLN A 9 -10.259 3.816 2.521 1.00 0.00 C ATOM 128 CG GLN A 9 -8.953 3.007 2.556 1.00 0.00 C ATOM 129 CD GLN A 9 -7.851 3.621 1.699 1.00 0.00 C ATOM 130 OE1 GLN A 9 -7.008 4.359 2.194 1.00 0.00 O ATOM 131 NE2 GLN A 9 -7.840 3.317 0.405 1.00 0.00 N ATOM 0 H GLN A 9 -12.387 4.954 2.151 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.180 4.500 0.493 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.067 4.814 2.915 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.984 3.345 3.185 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.606 2.932 3.586 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.151 1.992 2.212 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.555 2.700 0.020 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.117 3.701 -0.203 1.00 0.00 H new ATOM 140 N LYS A 10 -12.146 1.864 0.827 1.00 0.00 N ATOM 141 CA LYS A 10 -12.456 0.583 0.218 1.00 0.00 C ATOM 142 C LYS A 10 -12.765 0.755 -1.267 1.00 0.00 C ATOM 143 O LYS A 10 -12.264 -0.009 -2.084 1.00 0.00 O ATOM 144 CB LYS A 10 -13.612 -0.091 0.955 1.00 0.00 C ATOM 145 CG LYS A 10 -13.901 -1.457 0.319 1.00 0.00 C ATOM 146 CD LYS A 10 -14.780 -2.311 1.228 1.00 0.00 C ATOM 147 CE LYS A 10 -16.164 -1.683 1.434 1.00 0.00 C ATOM 148 NZ LYS A 10 -17.027 -2.536 2.269 1.00 0.00 N ATOM 0 H LYS A 10 -12.805 2.156 1.549 1.00 0.00 H new ATOM 0 HA LYS A 10 -11.583 -0.065 0.301 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -13.362 -0.215 2.009 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -14.501 0.538 0.910 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -14.395 -1.317 -0.643 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -12.963 -1.976 0.123 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -14.892 -3.305 0.796 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -14.290 -2.437 2.194 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -16.054 -0.705 1.903 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -16.638 -1.521 0.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -17.563 -1.942 2.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -17.689 -3.060 1.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -16.439 -3.209 2.801 1.00 0.00 H new ATOM 162 N ASP A 11 -13.579 1.746 -1.629 1.00 0.00 N ATOM 163 CA ASP A 11 -13.891 2.032 -3.025 1.00 0.00 C ATOM 164 C ASP A 11 -12.598 2.299 -3.807 1.00 0.00 C ATOM 165 O ASP A 11 -12.406 1.797 -4.911 1.00 0.00 O ATOM 166 CB ASP A 11 -14.874 3.208 -3.099 1.00 0.00 C ATOM 167 CG ASP A 11 -15.377 3.478 -4.514 1.00 0.00 C ATOM 168 OD1 ASP A 11 -15.429 2.514 -5.306 1.00 0.00 O ATOM 169 OD2 ASP A 11 -15.721 4.652 -4.768 1.00 0.00 O ATOM 0 H ASP A 11 -14.038 2.369 -0.965 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.373 1.170 -3.487 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -15.725 3.004 -2.450 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.388 4.105 -2.715 1.00 0.00 H new ATOM 174 N LEU A 12 -11.678 3.051 -3.201 1.00 0.00 N ATOM 175 CA LEU A 12 -10.343 3.273 -3.730 1.00 0.00 C ATOM 176 C LEU A 12 -9.599 1.934 -3.859 1.00 0.00 C ATOM 177 O LEU A 12 -8.990 1.667 -4.893 1.00 0.00 O ATOM 178 CB LEU A 12 -9.630 4.313 -2.846 1.00 0.00 C ATOM 179 CG LEU A 12 -8.409 4.999 -3.481 1.00 0.00 C ATOM 180 CD1 LEU A 12 -8.152 6.328 -2.758 1.00 0.00 C ATOM 181 CD2 LEU A 12 -7.142 4.145 -3.375 1.00 0.00 C ATOM 0 H LEU A 12 -11.848 3.528 -2.315 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.376 3.685 -4.739 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.351 5.081 -2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.312 3.824 -1.925 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.631 5.152 -4.537 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.288 6.822 -3.201 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.027 6.971 -2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.959 6.137 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -6.308 4.673 -3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.916 3.958 -2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.299 3.196 -3.887 1.00 0.00 H new ATOM 193 N GLU A 13 -9.662 1.057 -2.849 1.00 0.00 N ATOM 194 CA GLU A 13 -9.009 -0.243 -2.940 1.00 0.00 C ATOM 195 C GLU A 13 -9.564 -1.024 -4.136 1.00 0.00 C ATOM 196 O GLU A 13 -8.808 -1.573 -4.935 1.00 0.00 O ATOM 197 CB GLU A 13 -9.157 -1.002 -1.611 1.00 0.00 C ATOM 198 CG GLU A 13 -8.242 -2.232 -1.530 1.00 0.00 C ATOM 199 CD GLU A 13 -6.759 -1.875 -1.612 1.00 0.00 C ATOM 200 OE1 GLU A 13 -6.363 -0.905 -0.931 1.00 0.00 O ATOM 201 OE2 GLU A 13 -6.049 -2.571 -2.370 1.00 0.00 O ATOM 0 H GLU A 13 -10.154 1.226 -1.972 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.941 -0.112 -3.112 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.929 -0.329 -0.785 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -10.194 -1.316 -1.489 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.433 -2.760 -0.595 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.491 -2.918 -2.340 1.00 0.00 H new ATOM 208 N GLU A 14 -10.891 -1.034 -4.273 1.00 0.00 N ATOM 209 CA GLU A 14 -11.574 -1.648 -5.395 1.00 0.00 C ATOM 210 C GLU A 14 -11.057 -1.052 -6.706 1.00 0.00 C ATOM 211 O GLU A 14 -10.712 -1.800 -7.620 1.00 0.00 O ATOM 212 CB GLU A 14 -13.095 -1.492 -5.224 1.00 0.00 C ATOM 213 CG GLU A 14 -13.896 -2.369 -6.195 1.00 0.00 C ATOM 214 CD GLU A 14 -13.662 -3.859 -5.957 1.00 0.00 C ATOM 215 OE1 GLU A 14 -14.141 -4.345 -4.911 1.00 0.00 O ATOM 216 OE2 GLU A 14 -13.001 -4.478 -6.818 1.00 0.00 O ATOM 0 H GLU A 14 -11.523 -0.608 -3.595 1.00 0.00 H new ATOM 0 HA GLU A 14 -11.364 -2.717 -5.428 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.369 -1.748 -4.200 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.368 -0.448 -5.376 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -14.958 -2.149 -6.088 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.620 -2.119 -7.219 1.00 0.00 H new ATOM 223 N VAL A 15 -10.970 0.283 -6.806 1.00 0.00 N ATOM 224 CA VAL A 15 -10.443 0.900 -8.016 1.00 0.00 C ATOM 225 C VAL A 15 -9.038 0.387 -8.311 1.00 0.00 C ATOM 226 O VAL A 15 -8.785 -0.013 -9.440 1.00 0.00 O ATOM 227 CB VAL A 15 -10.562 2.442 -8.045 1.00 0.00 C ATOM 228 CG1 VAL A 15 -9.262 3.229 -7.806 1.00 0.00 C ATOM 229 CG2 VAL A 15 -11.049 2.846 -9.443 1.00 0.00 C ATOM 0 H VAL A 15 -11.253 0.938 -6.077 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.085 0.585 -8.838 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.235 2.689 -7.224 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.471 4.298 -7.850 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.860 2.978 -6.825 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.533 2.970 -8.574 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.143 3.931 -9.496 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -10.331 2.507 -10.190 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -12.019 2.387 -9.637 1.00 0.00 H new ATOM 239 N LYS A 16 -8.136 0.359 -7.322 1.00 0.00 N ATOM 240 CA LYS A 16 -6.793 -0.177 -7.540 1.00 0.00 C ATOM 241 C LYS A 16 -6.854 -1.620 -8.056 1.00 0.00 C ATOM 242 O LYS A 16 -6.269 -1.936 -9.092 1.00 0.00 O ATOM 243 CB LYS A 16 -5.945 -0.092 -6.266 1.00 0.00 C ATOM 244 CG LYS A 16 -5.612 1.360 -5.906 1.00 0.00 C ATOM 245 CD LYS A 16 -4.621 1.455 -4.735 1.00 0.00 C ATOM 246 CE LYS A 16 -5.179 0.827 -3.453 1.00 0.00 C ATOM 247 NZ LYS A 16 -4.271 1.010 -2.308 1.00 0.00 N ATOM 0 H LYS A 16 -8.311 0.697 -6.376 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.314 0.437 -8.302 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.481 -0.559 -5.440 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.021 -0.654 -6.405 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.191 1.861 -6.778 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.530 1.888 -5.647 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.691 0.956 -5.007 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.379 2.502 -4.550 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.147 1.272 -3.223 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.348 -0.238 -3.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.645 0.499 -1.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.330 0.638 -2.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.196 2.023 -2.083 1.00 0.00 H new ATOM 261 N VAL A 17 -7.576 -2.490 -7.347 1.00 0.00 N ATOM 262 CA VAL A 17 -7.736 -3.889 -7.728 1.00 0.00 C ATOM 263 C VAL A 17 -8.169 -3.996 -9.197 1.00 0.00 C ATOM 264 O VAL A 17 -7.529 -4.693 -9.986 1.00 0.00 O ATOM 265 CB VAL A 17 -8.710 -4.580 -6.754 1.00 0.00 C ATOM 266 CG1 VAL A 17 -9.170 -5.953 -7.259 1.00 0.00 C ATOM 267 CG2 VAL A 17 -8.037 -4.772 -5.388 1.00 0.00 C ATOM 0 H VAL A 17 -8.067 -2.240 -6.489 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.782 -4.412 -7.653 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.583 -3.932 -6.673 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -9.854 -6.396 -6.536 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -9.679 -5.837 -8.216 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.304 -6.603 -7.385 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.732 -5.261 -4.705 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.147 -5.391 -5.505 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.753 -3.801 -4.983 1.00 0.00 H new ATOM 277 N LEU A 18 -9.240 -3.296 -9.577 1.00 0.00 N ATOM 278 CA LEU A 18 -9.732 -3.315 -10.950 1.00 0.00 C ATOM 279 C LEU A 18 -8.695 -2.746 -11.924 1.00 0.00 C ATOM 280 O LEU A 18 -8.465 -3.330 -12.980 1.00 0.00 O ATOM 281 CB LEU A 18 -11.059 -2.550 -11.048 1.00 0.00 C ATOM 282 CG LEU A 18 -12.209 -3.222 -10.279 1.00 0.00 C ATOM 283 CD1 LEU A 18 -13.414 -2.278 -10.270 1.00 0.00 C ATOM 284 CD2 LEU A 18 -12.625 -4.558 -10.909 1.00 0.00 C ATOM 0 H LEU A 18 -9.784 -2.707 -8.947 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.908 -4.353 -11.234 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.917 -1.540 -10.664 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.339 -2.456 -12.097 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.861 -3.427 -9.266 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -14.237 -2.743 -9.727 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.140 -1.343 -9.782 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -13.724 -2.075 -11.295 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.440 -4.995 -10.331 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.956 -4.390 -11.934 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.775 -5.240 -10.910 1.00 0.00 H new ATOM 296 N LEU A 19 -8.076 -1.615 -11.574 1.00 0.00 N ATOM 297 CA LEU A 19 -7.050 -0.948 -12.368 1.00 0.00 C ATOM 298 C LEU A 19 -5.934 -1.936 -12.717 1.00 0.00 C ATOM 299 O LEU A 19 -5.473 -1.989 -13.853 1.00 0.00 O ATOM 300 CB LEU A 19 -6.493 0.256 -11.586 1.00 0.00 C ATOM 301 CG LEU A 19 -5.681 1.244 -12.436 1.00 0.00 C ATOM 302 CD1 LEU A 19 -6.617 2.295 -13.047 1.00 0.00 C ATOM 303 CD2 LEU A 19 -4.647 1.960 -11.559 1.00 0.00 C ATOM 0 H LEU A 19 -8.284 -1.126 -10.703 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.487 -0.586 -13.298 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.324 0.790 -11.125 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.862 -0.112 -10.777 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.176 0.691 -13.227 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.036 2.994 -13.649 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.357 1.801 -13.677 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.124 2.838 -12.250 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.075 2.659 -12.169 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.158 2.505 -10.765 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.972 1.226 -11.119 1.00 0.00 H new ATOM 315 N GLU A 20 -5.500 -2.720 -11.730 1.00 0.00 N ATOM 316 CA GLU A 20 -4.511 -3.761 -11.938 1.00 0.00 C ATOM 317 C GLU A 20 -5.080 -4.862 -12.841 1.00 0.00 C ATOM 318 O GLU A 20 -4.532 -5.142 -13.906 1.00 0.00 O ATOM 319 CB GLU A 20 -4.063 -4.316 -10.578 1.00 0.00 C ATOM 320 CG GLU A 20 -3.293 -3.266 -9.764 1.00 0.00 C ATOM 321 CD GLU A 20 -3.074 -3.732 -8.328 1.00 0.00 C ATOM 322 OE1 GLU A 20 -2.217 -4.627 -8.153 1.00 0.00 O ATOM 323 OE2 GLU A 20 -3.770 -3.198 -7.438 1.00 0.00 O ATOM 0 H GLU A 20 -5.828 -2.646 -10.767 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.638 -3.346 -12.443 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.935 -4.646 -10.014 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.433 -5.192 -10.732 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.330 -3.070 -10.236 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.845 -2.326 -9.764 1.00 0.00 H new ATOM 330 N LYS A 21 -6.162 -5.510 -12.399 1.00 0.00 N ATOM 331 CA LYS A 21 -6.679 -6.714 -13.038 1.00 0.00 C ATOM 332 C LYS A 21 -7.218 -6.467 -14.451 1.00 0.00 C ATOM 333 O LYS A 21 -6.801 -7.119 -15.406 1.00 0.00 O ATOM 334 CB LYS A 21 -7.760 -7.345 -12.151 1.00 0.00 C ATOM 335 CG LYS A 21 -7.158 -7.921 -10.864 1.00 0.00 C ATOM 336 CD LYS A 21 -8.273 -8.502 -9.986 1.00 0.00 C ATOM 337 CE LYS A 21 -7.712 -9.161 -8.718 1.00 0.00 C ATOM 338 NZ LYS A 21 -6.932 -10.372 -9.024 1.00 0.00 N ATOM 0 H LYS A 21 -6.701 -5.211 -11.587 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.841 -7.402 -13.151 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.511 -6.596 -11.900 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -8.270 -8.135 -12.702 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.432 -8.697 -11.106 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.623 -7.142 -10.321 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.967 -7.709 -9.707 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.841 -9.237 -10.557 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.081 -8.448 -8.188 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.534 -9.418 -8.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.716 -10.878 -8.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.484 -10.991 -9.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.045 -10.104 -9.496 1.00 0.00 H new ATOM 352 N SER A 22 -8.191 -5.573 -14.594 1.00 0.00 N ATOM 353 CA SER A 22 -8.936 -5.397 -15.832 1.00 0.00 C ATOM 354 C SER A 22 -8.190 -4.443 -16.765 1.00 0.00 C ATOM 355 O SER A 22 -8.776 -3.454 -17.199 1.00 0.00 O ATOM 356 CB SER A 22 -10.328 -4.862 -15.472 1.00 0.00 C ATOM 357 OG SER A 22 -10.930 -5.700 -14.503 1.00 0.00 O ATOM 0 H SER A 22 -8.486 -4.945 -13.846 1.00 0.00 H new ATOM 0 HA SER A 22 -9.039 -6.345 -16.360 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.248 -3.845 -15.087 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.952 -4.817 -16.365 1.00 0.00 H new ATOM 0 HG SER A 22 -11.818 -5.352 -14.276 1.00 0.00 H new ATOM 363 N THR A 23 -6.931 -4.755 -17.095 1.00 0.00 N ATOM 364 CA THR A 23 -5.948 -3.908 -17.775 1.00 0.00 C ATOM 365 C THR A 23 -6.236 -3.499 -19.234 1.00 0.00 C ATOM 366 O THR A 23 -5.314 -3.411 -20.042 1.00 0.00 O ATOM 367 CB THR A 23 -4.564 -4.583 -17.629 1.00 0.00 C ATOM 368 OG1 THR A 23 -4.582 -5.587 -16.628 1.00 0.00 O ATOM 369 CG2 THR A 23 -3.467 -3.571 -17.291 1.00 0.00 C ATOM 0 H THR A 23 -6.546 -5.674 -16.877 1.00 0.00 H new ATOM 0 HA THR A 23 -5.996 -2.941 -17.275 1.00 0.00 H new ATOM 0 HB THR A 23 -4.343 -5.035 -18.596 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.556 -5.167 -15.743 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.512 -4.088 -17.197 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.401 -2.827 -18.085 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.706 -3.076 -16.349 1.00 0.00 H new ATOM 377 N ARG A 24 -7.490 -3.217 -19.587 1.00 0.00 N ATOM 378 CA ARG A 24 -7.862 -2.614 -20.859 1.00 0.00 C ATOM 379 C ARG A 24 -7.862 -1.086 -20.703 1.00 0.00 C ATOM 380 O ARG A 24 -7.688 -0.562 -19.604 1.00 0.00 O ATOM 381 CB ARG A 24 -9.245 -3.132 -21.278 1.00 0.00 C ATOM 382 CG ARG A 24 -9.274 -4.664 -21.373 1.00 0.00 C ATOM 383 CD ARG A 24 -10.651 -5.160 -21.827 1.00 0.00 C ATOM 384 NE ARG A 24 -10.985 -4.713 -23.188 1.00 0.00 N ATOM 385 CZ ARG A 24 -10.550 -5.288 -24.320 1.00 0.00 C ATOM 386 NH1 ARG A 24 -9.686 -6.309 -24.278 1.00 0.00 N ATOM 387 NH2 ARG A 24 -10.987 -4.837 -25.500 1.00 0.00 N ATOM 0 H ARG A 24 -8.289 -3.407 -18.982 1.00 0.00 H new ATOM 0 HA ARG A 24 -7.147 -2.883 -21.637 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.992 -2.798 -20.558 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.517 -2.703 -22.242 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -8.512 -5.003 -22.075 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.029 -5.097 -20.403 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.673 -6.249 -21.789 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.411 -4.802 -21.133 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.596 -3.901 -23.279 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.352 -6.658 -23.380 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.362 -6.739 -25.144 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.647 -4.060 -25.536 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.660 -5.270 -26.364 1.00 0.00 H new ATOM 401 N LYS A 25 -8.182 -0.355 -21.777 1.00 0.00 N ATOM 402 CA LYS A 25 -8.418 1.088 -21.701 1.00 0.00 C ATOM 403 C LYS A 25 -9.465 1.457 -20.637 1.00 0.00 C ATOM 404 O LYS A 25 -9.477 2.582 -20.140 1.00 0.00 O ATOM 405 CB LYS A 25 -8.761 1.662 -23.087 1.00 0.00 C ATOM 406 CG LYS A 25 -10.200 1.438 -23.584 1.00 0.00 C ATOM 407 CD LYS A 25 -10.543 -0.035 -23.855 1.00 0.00 C ATOM 408 CE LYS A 25 -11.908 -0.172 -24.538 1.00 0.00 C ATOM 409 NZ LYS A 25 -13.003 0.334 -23.691 1.00 0.00 N ATOM 0 H LYS A 25 -8.284 -0.744 -22.714 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.488 1.554 -21.375 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.569 2.735 -23.069 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.077 1.227 -23.816 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.895 1.832 -22.843 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.351 2.010 -24.499 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.773 -0.480 -24.485 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.547 -0.589 -22.916 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.898 0.374 -25.481 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.090 -1.220 -24.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.915 0.146 -24.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.978 -0.145 -22.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.890 1.359 -23.553 1.00 0.00 H new ATOM 423 N ARG A 26 -10.313 0.487 -20.266 1.00 0.00 N ATOM 424 CA ARG A 26 -11.294 0.565 -19.196 1.00 0.00 C ATOM 425 C ARG A 26 -10.701 1.186 -17.926 1.00 0.00 C ATOM 426 O ARG A 26 -11.411 1.888 -17.207 1.00 0.00 O ATOM 427 CB ARG A 26 -11.851 -0.851 -18.957 1.00 0.00 C ATOM 428 CG ARG A 26 -12.936 -0.958 -17.877 1.00 0.00 C ATOM 429 CD ARG A 26 -14.218 -0.174 -18.204 1.00 0.00 C ATOM 430 NE ARG A 26 -14.609 0.691 -17.083 1.00 0.00 N ATOM 431 CZ ARG A 26 -15.603 1.588 -17.101 1.00 0.00 C ATOM 432 NH1 ARG A 26 -16.379 1.724 -18.181 1.00 0.00 N ATOM 433 NH2 ARG A 26 -15.802 2.349 -16.021 1.00 0.00 N ATOM 0 H ARG A 26 -10.326 -0.418 -20.736 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.110 1.227 -19.485 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.259 -1.226 -19.896 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.024 -1.507 -18.684 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -13.190 -2.008 -17.734 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -12.531 -0.596 -16.932 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -14.060 0.431 -19.097 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -15.026 -0.870 -18.430 1.00 0.00 H new ATOM 0 HE ARG A 26 -14.078 0.601 -16.217 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -16.217 1.141 -19.002 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -17.133 2.411 -18.184 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -15.202 2.241 -15.203 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.554 3.038 -16.014 1.00 0.00 H new ATOM 447 N LEU A 27 -9.408 0.967 -17.657 1.00 0.00 N ATOM 448 CA LEU A 27 -8.663 1.660 -16.608 1.00 0.00 C ATOM 449 C LEU A 27 -8.982 3.154 -16.556 1.00 0.00 C ATOM 450 O LEU A 27 -9.284 3.672 -15.484 1.00 0.00 O ATOM 451 CB LEU A 27 -7.157 1.454 -16.835 1.00 0.00 C ATOM 452 CG LEU A 27 -6.596 0.203 -16.145 1.00 0.00 C ATOM 453 CD1 LEU A 27 -7.513 -1.018 -16.243 1.00 0.00 C ATOM 454 CD2 LEU A 27 -5.218 -0.117 -16.733 1.00 0.00 C ATOM 0 H LEU A 27 -8.844 0.291 -18.173 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.964 1.235 -15.651 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.966 1.384 -17.906 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.620 2.330 -16.472 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.519 0.430 -15.082 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.050 -1.863 -15.733 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.471 -0.792 -15.775 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.672 -1.270 -17.291 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.813 -1.005 -16.248 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.313 -0.300 -17.803 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.547 0.726 -16.567 1.00 0.00 H new ATOM 466 N ARG A 28 -8.912 3.845 -17.697 1.00 0.00 N ATOM 467 CA ARG A 28 -9.126 5.285 -17.762 1.00 0.00 C ATOM 468 C ARG A 28 -10.519 5.612 -17.228 1.00 0.00 C ATOM 469 O ARG A 28 -10.675 6.412 -16.301 1.00 0.00 O ATOM 470 CB ARG A 28 -8.920 5.749 -19.213 1.00 0.00 C ATOM 471 CG ARG A 28 -8.879 7.275 -19.405 1.00 0.00 C ATOM 472 CD ARG A 28 -10.236 7.991 -19.312 1.00 0.00 C ATOM 473 NE ARG A 28 -11.285 7.331 -20.104 1.00 0.00 N ATOM 474 CZ ARG A 28 -11.426 7.424 -21.436 1.00 0.00 C ATOM 475 NH1 ARG A 28 -10.542 8.111 -22.166 1.00 0.00 N ATOM 476 NH2 ARG A 28 -12.461 6.827 -22.034 1.00 0.00 N ATOM 0 H ARG A 28 -8.705 3.418 -18.600 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.410 5.821 -17.139 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.987 5.325 -19.586 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.723 5.342 -19.827 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.212 7.700 -18.655 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.441 7.489 -20.380 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.548 8.034 -18.269 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.123 9.020 -19.653 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.960 6.756 -19.600 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.752 8.570 -21.712 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.657 8.176 -23.177 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -13.139 6.304 -21.479 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -12.574 6.894 -23.046 1.00 0.00 H new ATOM 490 N ASP A 29 -11.531 4.969 -17.815 1.00 0.00 N ATOM 491 CA ASP A 29 -12.931 5.175 -17.474 1.00 0.00 C ATOM 492 C ASP A 29 -13.152 4.916 -15.987 1.00 0.00 C ATOM 493 O ASP A 29 -13.691 5.762 -15.272 1.00 0.00 O ATOM 494 CB ASP A 29 -13.812 4.247 -18.321 1.00 0.00 C ATOM 495 CG ASP A 29 -13.576 4.441 -19.812 1.00 0.00 C ATOM 496 OD1 ASP A 29 -14.200 5.366 -20.376 1.00 0.00 O ATOM 497 OD2 ASP A 29 -12.748 3.680 -20.357 1.00 0.00 O ATOM 0 H ASP A 29 -11.393 4.279 -18.553 1.00 0.00 H new ATOM 0 HA ASP A 29 -13.205 6.208 -17.687 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -13.608 3.210 -18.054 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -14.861 4.435 -18.093 1.00 0.00 H new ATOM 502 N THR A 30 -12.724 3.739 -15.527 1.00 0.00 N ATOM 503 CA THR A 30 -12.866 3.296 -14.151 1.00 0.00 C ATOM 504 C THR A 30 -12.231 4.311 -13.204 1.00 0.00 C ATOM 505 O THR A 30 -12.906 4.822 -12.309 1.00 0.00 O ATOM 506 CB THR A 30 -12.252 1.895 -13.997 1.00 0.00 C ATOM 507 OG1 THR A 30 -12.792 1.046 -14.983 1.00 0.00 O ATOM 508 CG2 THR A 30 -12.560 1.273 -12.636 1.00 0.00 C ATOM 0 H THR A 30 -12.258 3.054 -16.122 1.00 0.00 H new ATOM 0 HA THR A 30 -13.922 3.228 -13.889 1.00 0.00 H new ATOM 0 HB THR A 30 -11.172 2.003 -14.097 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.312 1.178 -15.827 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.105 0.284 -12.576 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.156 1.907 -11.847 1.00 0.00 H new ATOM 0 HG23 THR A 30 -13.639 1.183 -12.513 1.00 0.00 H new ATOM 516 N LEU A 31 -10.947 4.615 -13.416 1.00 0.00 N ATOM 517 CA LEU A 31 -10.200 5.551 -12.593 1.00 0.00 C ATOM 518 C LEU A 31 -10.956 6.872 -12.523 1.00 0.00 C ATOM 519 O LEU A 31 -11.285 7.331 -11.432 1.00 0.00 O ATOM 520 CB LEU A 31 -8.780 5.713 -13.161 1.00 0.00 C ATOM 521 CG LEU A 31 -7.805 6.591 -12.351 1.00 0.00 C ATOM 522 CD1 LEU A 31 -8.047 8.098 -12.518 1.00 0.00 C ATOM 523 CD2 LEU A 31 -7.772 6.218 -10.865 1.00 0.00 C ATOM 0 H LEU A 31 -10.398 4.210 -14.174 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.100 5.175 -11.575 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -8.340 4.721 -13.263 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.861 6.131 -14.164 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.826 6.376 -12.779 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.324 8.651 -11.919 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.933 8.371 -13.567 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.056 8.343 -12.186 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.070 6.867 -10.342 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.767 6.341 -10.437 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.456 5.180 -10.757 1.00 0.00 H new ATOM 535 N THR A 32 -11.249 7.466 -13.682 1.00 0.00 N ATOM 536 CA THR A 32 -11.904 8.764 -13.745 1.00 0.00 C ATOM 537 C THR A 32 -13.230 8.734 -12.981 1.00 0.00 C ATOM 538 O THR A 32 -13.472 9.584 -12.123 1.00 0.00 O ATOM 539 CB THR A 32 -12.087 9.193 -15.209 1.00 0.00 C ATOM 540 OG1 THR A 32 -10.842 9.127 -15.873 1.00 0.00 O ATOM 541 CG2 THR A 32 -12.602 10.631 -15.311 1.00 0.00 C ATOM 0 H THR A 32 -11.039 7.060 -14.594 1.00 0.00 H new ATOM 0 HA THR A 32 -11.273 9.509 -13.261 1.00 0.00 H new ATOM 0 HB THR A 32 -12.814 8.521 -15.665 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.661 8.201 -16.137 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.720 10.902 -16.360 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.565 10.709 -14.806 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.889 11.307 -14.840 1.00 0.00 H new ATOM 549 N SER A 33 -14.083 7.750 -13.283 1.00 0.00 N ATOM 550 CA SER A 33 -15.394 7.631 -12.665 1.00 0.00 C ATOM 551 C SER A 33 -15.262 7.545 -11.144 1.00 0.00 C ATOM 552 O SER A 33 -15.855 8.346 -10.419 1.00 0.00 O ATOM 553 CB SER A 33 -16.133 6.409 -13.224 1.00 0.00 C ATOM 554 OG SER A 33 -16.250 6.505 -14.629 1.00 0.00 O ATOM 0 H SER A 33 -13.878 7.018 -13.963 1.00 0.00 H new ATOM 0 HA SER A 33 -15.978 8.521 -12.902 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.596 5.498 -12.959 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.123 6.338 -12.774 1.00 0.00 H new ATOM 0 HG SER A 33 -15.400 6.252 -15.046 1.00 0.00 H new ATOM 560 N GLU A 34 -14.484 6.571 -10.665 1.00 0.00 N ATOM 561 CA GLU A 34 -14.384 6.314 -9.238 1.00 0.00 C ATOM 562 C GLU A 34 -13.759 7.516 -8.532 1.00 0.00 C ATOM 563 O GLU A 34 -14.277 7.972 -7.518 1.00 0.00 O ATOM 564 CB GLU A 34 -13.589 5.028 -8.972 1.00 0.00 C ATOM 565 CG GLU A 34 -14.221 4.213 -7.838 1.00 0.00 C ATOM 566 CD GLU A 34 -15.483 3.496 -8.310 1.00 0.00 C ATOM 567 OE1 GLU A 34 -15.320 2.459 -8.991 1.00 0.00 O ATOM 568 OE2 GLU A 34 -16.583 4.008 -8.011 1.00 0.00 O ATOM 0 H GLU A 34 -13.919 5.953 -11.247 1.00 0.00 H new ATOM 0 HA GLU A 34 -15.386 6.167 -8.834 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -13.552 4.426 -9.880 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.560 5.280 -8.714 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -13.502 3.483 -7.467 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -14.464 4.872 -7.005 1.00 0.00 H new ATOM 575 N LYS A 35 -12.659 8.043 -9.080 1.00 0.00 N ATOM 576 CA LYS A 35 -12.003 9.229 -8.552 1.00 0.00 C ATOM 577 C LYS A 35 -13.023 10.360 -8.409 1.00 0.00 C ATOM 578 O LYS A 35 -13.145 10.948 -7.336 1.00 0.00 O ATOM 579 CB LYS A 35 -10.840 9.634 -9.469 1.00 0.00 C ATOM 580 CG LYS A 35 -10.046 10.810 -8.884 1.00 0.00 C ATOM 581 CD LYS A 35 -8.957 11.328 -9.836 1.00 0.00 C ATOM 582 CE LYS A 35 -9.502 11.889 -11.159 1.00 0.00 C ATOM 583 NZ LYS A 35 -10.574 12.880 -10.946 1.00 0.00 N ATOM 0 H LYS A 35 -12.202 7.653 -9.904 1.00 0.00 H new ATOM 0 HA LYS A 35 -11.593 9.015 -7.565 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.176 8.782 -9.614 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.227 9.907 -10.450 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.732 11.623 -8.648 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.585 10.500 -7.946 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.386 12.107 -9.330 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.264 10.516 -10.055 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.688 12.351 -11.718 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.883 11.070 -11.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.491 13.638 -11.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.500 12.416 -11.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.488 13.285 -9.992 1.00 0.00 H new ATOM 597 N SER A 36 -13.755 10.660 -9.487 1.00 0.00 N ATOM 598 CA SER A 36 -14.754 11.716 -9.469 1.00 0.00 C ATOM 599 C SER A 36 -15.768 11.484 -8.348 1.00 0.00 C ATOM 600 O SER A 36 -15.978 12.374 -7.526 1.00 0.00 O ATOM 601 CB SER A 36 -15.438 11.841 -10.834 1.00 0.00 C ATOM 602 OG SER A 36 -14.471 12.118 -11.827 1.00 0.00 O ATOM 0 H SER A 36 -13.668 10.180 -10.383 1.00 0.00 H new ATOM 0 HA SER A 36 -14.252 12.662 -9.267 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.965 10.918 -11.073 1.00 0.00 H new ATOM 0 HB3 SER A 36 -16.184 12.636 -10.807 1.00 0.00 H new ATOM 0 HG SER A 36 -13.934 11.315 -11.993 1.00 0.00 H new ATOM 608 N LYS A 37 -16.385 10.297 -8.300 1.00 0.00 N ATOM 609 CA LYS A 37 -17.330 9.947 -7.244 1.00 0.00 C ATOM 610 C LYS A 37 -16.714 10.179 -5.859 1.00 0.00 C ATOM 611 O LYS A 37 -17.272 10.929 -5.061 1.00 0.00 O ATOM 612 CB LYS A 37 -17.798 8.493 -7.401 1.00 0.00 C ATOM 613 CG LYS A 37 -18.693 8.265 -8.627 1.00 0.00 C ATOM 614 CD LYS A 37 -20.106 8.837 -8.430 1.00 0.00 C ATOM 615 CE LYS A 37 -21.002 8.459 -9.614 1.00 0.00 C ATOM 616 NZ LYS A 37 -22.368 8.986 -9.442 1.00 0.00 N ATOM 0 H LYS A 37 -16.241 9.559 -8.990 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.200 10.597 -7.335 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.925 7.845 -7.473 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -18.342 8.196 -6.504 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -18.234 8.728 -9.501 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -18.761 7.196 -8.831 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -20.535 8.454 -7.504 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -20.057 9.922 -8.334 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -20.573 8.850 -10.537 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -21.038 7.374 -9.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -22.951 8.714 -10.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -22.785 8.594 -8.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -22.334 10.023 -9.371 1.00 0.00 H new ATOM 630 N ILE A 38 -15.563 9.562 -5.586 1.00 0.00 N ATOM 631 CA ILE A 38 -14.877 9.656 -4.302 1.00 0.00 C ATOM 632 C ILE A 38 -14.675 11.124 -3.919 1.00 0.00 C ATOM 633 O ILE A 38 -15.110 11.546 -2.845 1.00 0.00 O ATOM 634 CB ILE A 38 -13.557 8.856 -4.346 1.00 0.00 C ATOM 635 CG1 ILE A 38 -13.873 7.347 -4.376 1.00 0.00 C ATOM 636 CG2 ILE A 38 -12.651 9.178 -3.145 1.00 0.00 C ATOM 637 CD1 ILE A 38 -12.669 6.489 -4.780 1.00 0.00 C ATOM 0 H ILE A 38 -15.076 8.975 -6.263 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.491 9.209 -3.520 1.00 0.00 H new ATOM 0 HB ILE A 38 -13.018 9.143 -5.249 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -14.220 7.035 -3.391 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -14.691 7.167 -5.074 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -11.733 8.594 -3.215 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.406 10.240 -3.148 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -13.171 8.928 -2.220 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -12.956 5.437 -4.782 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -12.336 6.776 -5.777 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.858 6.642 -4.068 1.00 0.00 H new ATOM 649 N GLU A 39 -14.029 11.902 -4.793 1.00 0.00 N ATOM 650 CA GLU A 39 -13.773 13.319 -4.561 1.00 0.00 C ATOM 651 C GLU A 39 -15.080 14.059 -4.269 1.00 0.00 C ATOM 652 O GLU A 39 -15.179 14.794 -3.289 1.00 0.00 O ATOM 653 CB GLU A 39 -13.061 13.923 -5.780 1.00 0.00 C ATOM 654 CG GLU A 39 -11.615 13.417 -5.901 1.00 0.00 C ATOM 655 CD GLU A 39 -10.921 13.908 -7.172 1.00 0.00 C ATOM 656 OE1 GLU A 39 -11.634 14.122 -8.178 1.00 0.00 O ATOM 657 OE2 GLU A 39 -9.679 14.041 -7.124 1.00 0.00 O ATOM 0 H GLU A 39 -13.669 11.561 -5.684 1.00 0.00 H new ATOM 0 HA GLU A 39 -13.126 13.427 -3.690 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.612 13.670 -6.686 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.061 15.010 -5.700 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.046 13.745 -5.031 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.614 12.327 -5.890 1.00 0.00 H new ATOM 664 N THR A 40 -16.083 13.860 -5.127 1.00 0.00 N ATOM 665 CA THR A 40 -17.384 14.502 -5.005 1.00 0.00 C ATOM 666 C THR A 40 -18.006 14.208 -3.637 1.00 0.00 C ATOM 667 O THR A 40 -18.385 15.135 -2.922 1.00 0.00 O ATOM 668 CB THR A 40 -18.283 14.059 -6.170 1.00 0.00 C ATOM 669 OG1 THR A 40 -17.688 14.465 -7.384 1.00 0.00 O ATOM 670 CG2 THR A 40 -19.681 14.675 -6.118 1.00 0.00 C ATOM 0 H THR A 40 -16.009 13.240 -5.934 1.00 0.00 H new ATOM 0 HA THR A 40 -17.269 15.584 -5.066 1.00 0.00 H new ATOM 0 HB THR A 40 -18.385 12.976 -6.095 1.00 0.00 H new ATOM 0 HG1 THR A 40 -17.054 13.780 -7.683 1.00 0.00 H new ATOM 0 HG21 THR A 40 -20.266 14.323 -6.968 1.00 0.00 H new ATOM 0 HG22 THR A 40 -20.174 14.381 -5.191 1.00 0.00 H new ATOM 0 HG23 THR A 40 -19.602 15.761 -6.158 1.00 0.00 H new ATOM 678 N GLU A 41 -18.123 12.930 -3.272 1.00 0.00 N ATOM 679 CA GLU A 41 -18.710 12.508 -2.009 1.00 0.00 C ATOM 680 C GLU A 41 -17.935 13.114 -0.838 1.00 0.00 C ATOM 681 O GLU A 41 -18.523 13.754 0.036 1.00 0.00 O ATOM 682 CB GLU A 41 -18.718 10.976 -1.937 1.00 0.00 C ATOM 683 CG GLU A 41 -19.718 10.371 -2.933 1.00 0.00 C ATOM 684 CD GLU A 41 -19.589 8.853 -2.989 1.00 0.00 C ATOM 685 OE1 GLU A 41 -18.605 8.389 -3.605 1.00 0.00 O ATOM 686 OE2 GLU A 41 -20.469 8.185 -2.403 1.00 0.00 O ATOM 0 H GLU A 41 -17.808 12.154 -3.855 1.00 0.00 H new ATOM 0 HA GLU A 41 -19.739 12.863 -1.946 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.718 10.596 -2.147 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.973 10.660 -0.926 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -20.733 10.642 -2.643 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -19.547 10.790 -3.925 1.00 0.00 H new ATOM 693 N LEU A 42 -16.614 12.909 -0.832 1.00 0.00 N ATOM 694 CA LEU A 42 -15.722 13.419 0.198 1.00 0.00 C ATOM 695 C LEU A 42 -15.963 14.915 0.394 1.00 0.00 C ATOM 696 O LEU A 42 -16.253 15.354 1.506 1.00 0.00 O ATOM 697 CB LEU A 42 -14.273 13.079 -0.190 1.00 0.00 C ATOM 698 CG LEU A 42 -13.168 13.496 0.796 1.00 0.00 C ATOM 699 CD1 LEU A 42 -12.853 14.998 0.785 1.00 0.00 C ATOM 700 CD2 LEU A 42 -13.444 13.005 2.221 1.00 0.00 C ATOM 0 H LEU A 42 -16.133 12.375 -1.556 1.00 0.00 H new ATOM 0 HA LEU A 42 -15.920 12.947 1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -14.206 12.001 -0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.062 13.546 -1.152 1.00 0.00 H new ATOM 0 HG LEU A 42 -12.271 12.995 0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -12.064 15.210 1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -12.522 15.293 -0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -13.749 15.560 1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.636 13.325 2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -14.386 13.424 2.574 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -13.506 11.917 2.225 1.00 0.00 H new ATOM 712 N LYS A 43 -15.870 15.696 -0.685 1.00 0.00 N ATOM 713 CA LYS A 43 -16.118 17.128 -0.630 1.00 0.00 C ATOM 714 C LYS A 43 -17.514 17.410 -0.077 1.00 0.00 C ATOM 715 O LYS A 43 -17.640 18.149 0.896 1.00 0.00 O ATOM 716 CB LYS A 43 -15.912 17.762 -2.012 1.00 0.00 C ATOM 717 CG LYS A 43 -16.194 19.274 -2.053 1.00 0.00 C ATOM 718 CD LYS A 43 -15.388 20.063 -1.009 1.00 0.00 C ATOM 719 CE LYS A 43 -15.604 21.575 -1.144 1.00 0.00 C ATOM 720 NZ LYS A 43 -15.011 22.116 -2.381 1.00 0.00 N ATOM 0 H LYS A 43 -15.622 15.351 -1.612 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.399 17.585 0.050 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.885 17.585 -2.333 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -16.561 17.262 -2.731 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.961 19.655 -3.047 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -17.258 19.444 -1.887 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.678 19.743 -0.008 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.328 19.836 -1.121 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -16.673 21.790 -1.132 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.167 22.081 -0.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -15.046 23.155 -2.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.021 21.805 -2.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.546 21.770 -3.203 1.00 0.00 H new ATOM 734 N ASN A 44 -18.562 16.846 -0.687 1.00 0.00 N ATOM 735 CA ASN A 44 -19.949 17.071 -0.274 1.00 0.00 C ATOM 736 C ASN A 44 -20.091 16.909 1.237 1.00 0.00 C ATOM 737 O ASN A 44 -20.624 17.793 1.903 1.00 0.00 O ATOM 738 CB ASN A 44 -20.923 16.124 -0.995 1.00 0.00 C ATOM 739 CG ASN A 44 -21.461 16.713 -2.294 1.00 0.00 C ATOM 740 OD1 ASN A 44 -22.571 17.234 -2.331 1.00 0.00 O ATOM 741 ND2 ASN A 44 -20.695 16.632 -3.376 1.00 0.00 N ATOM 0 H ASN A 44 -18.470 16.218 -1.485 1.00 0.00 H new ATOM 0 HA ASN A 44 -20.207 18.093 -0.553 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -20.417 15.183 -1.210 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -21.757 15.893 -0.332 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -21.026 17.008 -4.264 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -19.776 16.194 -3.318 1.00 0.00 H new ATOM 748 N LYS A 45 -19.591 15.795 1.777 1.00 0.00 N ATOM 749 CA LYS A 45 -19.681 15.499 3.199 1.00 0.00 C ATOM 750 C LYS A 45 -19.165 16.645 4.074 1.00 0.00 C ATOM 751 O LYS A 45 -19.706 16.855 5.157 1.00 0.00 O ATOM 752 CB LYS A 45 -18.962 14.179 3.511 1.00 0.00 C ATOM 753 CG LYS A 45 -19.715 12.966 2.943 1.00 0.00 C ATOM 754 CD LYS A 45 -20.854 12.523 3.875 1.00 0.00 C ATOM 755 CE LYS A 45 -21.739 11.455 3.224 1.00 0.00 C ATOM 756 NZ LYS A 45 -20.987 10.225 2.913 1.00 0.00 N ATOM 0 H LYS A 45 -19.113 15.075 1.235 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.737 15.387 3.446 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -17.955 14.208 3.095 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -18.859 14.069 4.590 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -20.122 13.215 1.963 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -19.019 12.139 2.799 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -20.434 12.132 4.802 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -21.463 13.387 4.141 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -22.566 11.214 3.892 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -22.174 11.855 2.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -21.640 9.500 2.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -20.267 10.431 2.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -20.523 9.875 3.775 1.00 0.00 H new ATOM 770 N MET A 46 -18.153 17.401 3.632 1.00 0.00 N ATOM 771 CA MET A 46 -17.627 18.517 4.414 1.00 0.00 C ATOM 772 C MET A 46 -18.714 19.560 4.693 1.00 0.00 C ATOM 773 O MET A 46 -18.735 20.160 5.766 1.00 0.00 O ATOM 774 CB MET A 46 -16.426 19.166 3.710 1.00 0.00 C ATOM 775 CG MET A 46 -15.267 18.186 3.492 1.00 0.00 C ATOM 776 SD MET A 46 -14.507 17.555 5.008 1.00 0.00 S ATOM 777 CE MET A 46 -13.341 16.369 4.310 1.00 0.00 C ATOM 0 H MET A 46 -17.685 17.257 2.737 1.00 0.00 H new ATOM 0 HA MET A 46 -17.288 18.117 5.370 1.00 0.00 H new ATOM 0 HB2 MET A 46 -16.746 19.564 2.747 1.00 0.00 H new ATOM 0 HB3 MET A 46 -16.075 20.011 4.303 1.00 0.00 H new ATOM 0 HG2 MET A 46 -15.630 17.341 2.906 1.00 0.00 H new ATOM 0 HG3 MET A 46 -14.499 18.681 2.897 1.00 0.00 H new ATOM 0 HE1 MET A 46 -12.787 15.887 5.115 1.00 0.00 H new ATOM 0 HE2 MET A 46 -13.885 15.615 3.742 1.00 0.00 H new ATOM 0 HE3 MET A 46 -12.645 16.888 3.650 1.00 0.00 H new ATOM 787 N GLN A 47 -19.614 19.783 3.733 1.00 0.00 N ATOM 788 CA GLN A 47 -20.683 20.763 3.834 1.00 0.00 C ATOM 789 C GLN A 47 -21.872 20.287 3.000 1.00 0.00 C ATOM 790 O GLN A 47 -21.914 20.478 1.783 1.00 0.00 O ATOM 791 CB GLN A 47 -20.183 22.183 3.486 1.00 0.00 C ATOM 792 CG GLN A 47 -19.794 22.493 2.027 1.00 0.00 C ATOM 793 CD GLN A 47 -18.790 21.511 1.431 1.00 0.00 C ATOM 794 OE1 GLN A 47 -17.589 21.763 1.432 1.00 0.00 O ATOM 795 NE2 GLN A 47 -19.270 20.385 0.916 1.00 0.00 N ATOM 0 H GLN A 47 -19.615 19.274 2.849 1.00 0.00 H new ATOM 0 HA GLN A 47 -21.028 20.845 4.865 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -20.961 22.888 3.778 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -19.314 22.390 4.111 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -20.695 22.493 1.414 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -19.376 23.498 1.979 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -20.274 20.205 0.930 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -18.635 19.700 0.506 1.00 0.00 H new ATOM 804 N GLN A 48 -22.840 19.631 3.640 1.00 0.00 N ATOM 805 CA GLN A 48 -23.942 19.004 2.932 1.00 0.00 C ATOM 806 C GLN A 48 -25.016 20.065 2.699 1.00 0.00 C ATOM 807 O GLN A 48 -26.079 20.028 3.311 1.00 0.00 O ATOM 808 CB GLN A 48 -24.408 17.763 3.706 1.00 0.00 C ATOM 809 CG GLN A 48 -23.232 16.774 3.799 1.00 0.00 C ATOM 810 CD GLN A 48 -23.646 15.383 4.265 1.00 0.00 C ATOM 811 OE1 GLN A 48 -24.241 14.624 3.508 1.00 0.00 O ATOM 812 NE2 GLN A 48 -23.318 15.008 5.495 1.00 0.00 N ATOM 0 H GLN A 48 -22.878 19.523 4.654 1.00 0.00 H new ATOM 0 HA GLN A 48 -23.652 18.632 1.949 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -24.746 18.044 4.703 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -25.255 17.298 3.201 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -22.755 16.695 2.822 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -22.486 17.172 4.486 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -22.823 15.654 6.110 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -23.561 14.074 5.825 1.00 0.00 H new ATOM 821 N LYS A 49 -24.691 21.006 1.802 1.00 0.00 N ATOM 822 CA LYS A 49 -25.382 22.256 1.499 1.00 0.00 C ATOM 823 C LYS A 49 -24.854 23.305 2.482 1.00 0.00 C ATOM 824 O LYS A 49 -23.638 23.407 2.646 1.00 0.00 O ATOM 825 CB LYS A 49 -26.918 22.125 1.456 1.00 0.00 C ATOM 826 CG LYS A 49 -27.360 21.034 0.470 1.00 0.00 C ATOM 827 CD LYS A 49 -28.885 20.849 0.443 1.00 0.00 C ATOM 828 CE LYS A 49 -29.485 20.453 1.801 1.00 0.00 C ATOM 829 NZ LYS A 49 -28.767 19.324 2.421 1.00 0.00 N ATOM 0 H LYS A 49 -23.861 20.896 1.220 1.00 0.00 H new ATOM 0 HA LYS A 49 -25.161 22.574 0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -27.293 21.890 2.452 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -27.358 23.079 1.166 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -27.010 21.289 -0.530 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -26.887 20.090 0.742 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -29.348 21.777 0.108 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -29.136 20.084 -0.292 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -29.457 21.311 2.472 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -30.533 20.186 1.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -29.294 18.993 3.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -28.682 18.547 1.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -27.818 19.634 2.712 1.00 0.00 H new ATOM 843 N SER A 50 -25.724 24.056 3.163 1.00 0.00 N ATOM 844 CA SER A 50 -25.345 25.050 4.161 1.00 0.00 C ATOM 845 C SER A 50 -24.835 24.373 5.442 1.00 0.00 C ATOM 846 O SER A 50 -25.469 24.465 6.491 1.00 0.00 O ATOM 847 CB SER A 50 -26.563 25.942 4.441 1.00 0.00 C ATOM 848 OG SER A 50 -27.180 26.300 3.216 1.00 0.00 O ATOM 0 H SER A 50 -26.733 23.985 3.030 1.00 0.00 H new ATOM 0 HA SER A 50 -24.527 25.664 3.784 1.00 0.00 H new ATOM 0 HB2 SER A 50 -27.274 25.415 5.078 1.00 0.00 H new ATOM 0 HB3 SER A 50 -26.255 26.838 4.980 1.00 0.00 H new ATOM 0 HG SER A 50 -27.958 26.868 3.395 1.00 0.00 H new ATOM 854 N GLN A 51 -23.705 23.664 5.339 1.00 0.00 N ATOM 855 CA GLN A 51 -23.138 22.773 6.342 1.00 0.00 C ATOM 856 C GLN A 51 -24.077 21.596 6.622 1.00 0.00 C ATOM 857 O GLN A 51 -23.788 20.466 6.221 1.00 0.00 O ATOM 858 CB GLN A 51 -22.723 23.519 7.619 1.00 0.00 C ATOM 859 CG GLN A 51 -21.692 24.615 7.327 1.00 0.00 C ATOM 860 CD GLN A 51 -21.207 25.267 8.617 1.00 0.00 C ATOM 861 OE1 GLN A 51 -21.531 26.413 8.904 1.00 0.00 O ATOM 862 NE2 GLN A 51 -20.430 24.536 9.412 1.00 0.00 N ATOM 0 H GLN A 51 -23.130 23.704 4.497 1.00 0.00 H new ATOM 0 HA GLN A 51 -22.217 22.359 5.932 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -23.604 23.963 8.084 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -22.307 22.810 8.335 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -20.845 24.188 6.790 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -22.133 25.371 6.677 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -20.178 23.585 9.144 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -20.086 24.927 10.289 1.00 0.00 H new ATOM 871 N LYS A 52 -25.189 21.890 7.305 1.00 0.00 N ATOM 872 CA LYS A 52 -26.257 20.993 7.732 1.00 0.00 C ATOM 873 C LYS A 52 -25.748 19.890 8.663 1.00 0.00 C ATOM 874 O LYS A 52 -26.057 19.884 9.851 1.00 0.00 O ATOM 875 CB LYS A 52 -27.032 20.437 6.527 1.00 0.00 C ATOM 876 CG LYS A 52 -27.541 21.526 5.569 1.00 0.00 C ATOM 877 CD LYS A 52 -28.440 22.594 6.213 1.00 0.00 C ATOM 878 CE LYS A 52 -29.667 22.016 6.933 1.00 0.00 C ATOM 879 NZ LYS A 52 -30.501 21.200 6.033 1.00 0.00 N ATOM 0 H LYS A 52 -25.376 22.849 7.597 1.00 0.00 H new ATOM 0 HA LYS A 52 -26.961 21.581 8.321 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -26.388 19.752 5.976 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -27.881 19.856 6.888 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -26.681 22.021 5.117 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -28.094 21.047 4.761 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -27.850 23.171 6.925 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -28.776 23.287 5.441 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -29.339 21.407 7.775 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -30.265 22.831 7.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -31.345 20.871 6.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -30.793 21.773 5.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -29.955 20.379 5.702 1.00 0.00 H new ATOM 893 N LYS A 53 -24.971 18.961 8.114 1.00 0.00 N ATOM 894 CA LYS A 53 -24.349 17.858 8.823 1.00 0.00 C ATOM 895 C LYS A 53 -22.920 17.716 8.284 1.00 0.00 C ATOM 896 O LYS A 53 -22.641 16.821 7.487 1.00 0.00 O ATOM 897 CB LYS A 53 -25.202 16.587 8.681 1.00 0.00 C ATOM 898 CG LYS A 53 -25.863 16.442 7.304 1.00 0.00 C ATOM 899 CD LYS A 53 -26.480 15.047 7.181 1.00 0.00 C ATOM 900 CE LYS A 53 -27.175 14.883 5.826 1.00 0.00 C ATOM 901 NZ LYS A 53 -27.733 13.529 5.670 1.00 0.00 N ATOM 0 H LYS A 53 -24.751 18.961 7.118 1.00 0.00 H new ATOM 0 HA LYS A 53 -24.289 18.041 9.896 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -24.574 15.716 8.867 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -25.977 16.592 9.448 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -26.631 17.204 7.175 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -25.126 16.596 6.516 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -25.704 14.289 7.292 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -27.198 14.889 7.986 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -27.973 15.620 5.733 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -26.464 15.080 5.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -28.197 13.449 4.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -26.967 12.828 5.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -28.429 13.352 6.422 1.00 0.00 H new ATOM 915 N PRO A 54 -22.011 18.624 8.674 1.00 0.00 N ATOM 916 CA PRO A 54 -20.638 18.605 8.207 1.00 0.00 C ATOM 917 C PRO A 54 -19.943 17.369 8.783 1.00 0.00 C ATOM 918 O PRO A 54 -19.823 17.228 9.998 1.00 0.00 O ATOM 919 CB PRO A 54 -20.025 19.920 8.698 1.00 0.00 C ATOM 920 CG PRO A 54 -20.841 20.256 9.947 1.00 0.00 C ATOM 921 CD PRO A 54 -22.231 19.709 9.615 1.00 0.00 C ATOM 0 HA PRO A 54 -20.540 18.537 7.124 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -18.966 19.806 8.930 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -20.104 20.704 7.945 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -20.425 19.785 10.838 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -20.865 21.329 10.135 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -22.736 19.353 10.513 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -22.863 20.483 9.180 1.00 0.00 H new ATOM 929 N GLU A 55 -19.522 16.450 7.913 1.00 0.00 N ATOM 930 CA GLU A 55 -18.918 15.177 8.278 1.00 0.00 C ATOM 931 C GLU A 55 -19.748 14.458 9.342 1.00 0.00 C ATOM 932 O GLU A 55 -20.052 13.273 9.205 1.00 0.00 O ATOM 933 CB GLU A 55 -17.468 15.385 8.734 1.00 0.00 C ATOM 934 CG GLU A 55 -16.625 16.054 7.640 1.00 0.00 C ATOM 935 CD GLU A 55 -15.147 16.061 8.013 1.00 0.00 C ATOM 936 OE1 GLU A 55 -14.736 17.026 8.695 1.00 0.00 O ATOM 937 OE2 GLU A 55 -14.456 15.096 7.620 1.00 0.00 O ATOM 0 H GLU A 55 -19.596 16.580 6.904 1.00 0.00 H new ATOM 0 HA GLU A 55 -18.903 14.536 7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -17.453 16.000 9.634 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -17.027 14.424 8.998 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -16.763 15.526 6.697 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.969 17.077 7.486 1.00 0.00 H new TER 944 GLU A 55