USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 460 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 21 ASN : amide:sc= -0.0511 K(o=-4.9,f=-10) USER MOD Set 1.2: A 52 ASN : amide:sc= -4.81! C(o=-4.9!,f=-10!) USER MOD Set 2.1: A 18 ASN : amide:sc= -1.14! X(o=-1.1!,f=-1) USER MOD Set 2.2: A 49 GLN : amide:sc= 0 X(o=-1.1,f=-0.95) USER MOD Set 3.1: A 9 GLN : amide:sc= -10.6! C(o=-9.5!,f=-16!) USER MOD Set 3.2: A 10 GLN : amide:sc= 1.04 K(o=-9.5,f=-12) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.359 X(o=-0.36,f=-0.023) USER MOD Single : A 8 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0605) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -2.67 K(o=-2.7,f=-6.5!) USER MOD Single : A 26 GLN : amide:sc= -7.78! C(o=-7.8!,f=-10!) USER MOD Single : A 28 ASN : amide:sc=-0.00175 X(o=-0.0017,f=-0.023) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 81:sc= 0.0185 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.215 X(o=-0.21,f=-0.012) USER MOD Single : A 41 SER OG : rot 45:sc= -4.01! USER MOD Single : A 43 ASN : amide:sc= -0.0385 X(o=-0.039,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.66! K(o=-0.66!,f=-0.15) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.024 11.508 -15.873 1.00 0.00 N ATOM 2 CA MET A 1 -3.345 11.908 -15.324 1.00 0.00 C ATOM 3 C MET A 1 -3.896 10.845 -14.384 1.00 0.00 C ATOM 4 O MET A 1 -4.165 9.718 -14.798 1.00 0.00 O ATOM 5 CB MET A 1 -4.311 12.138 -16.493 1.00 0.00 C ATOM 6 CG MET A 1 -5.199 13.359 -16.319 1.00 0.00 C ATOM 7 SD MET A 1 -6.957 12.959 -16.361 1.00 0.00 S ATOM 8 CE MET A 1 -7.677 14.596 -16.397 1.00 0.00 C ATOM 0 H1 MET A 1 -1.673 12.251 -16.510 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.350 11.374 -15.093 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.123 10.618 -16.401 1.00 0.00 H new ATOM 0 HA MET A 1 -3.230 12.826 -14.747 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.736 12.246 -17.413 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.940 11.256 -16.612 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.964 13.841 -15.370 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.976 14.079 -17.106 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.764 14.515 -16.425 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.377 15.145 -15.505 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.330 15.127 -17.284 1.00 0.00 H new ATOM 20 N TYR A 2 -4.060 11.204 -13.113 1.00 0.00 N ATOM 21 CA TYR A 2 -4.580 10.281 -12.112 1.00 0.00 C ATOM 22 C TYR A 2 -5.249 11.041 -10.973 1.00 0.00 C ATOM 23 O TYR A 2 -6.398 10.766 -10.620 1.00 0.00 O ATOM 24 CB TYR A 2 -3.452 9.404 -11.568 1.00 0.00 C ATOM 25 CG TYR A 2 -3.028 8.309 -12.519 1.00 0.00 C ATOM 26 CD1 TYR A 2 -3.836 7.197 -12.730 1.00 0.00 C ATOM 27 CD2 TYR A 2 -1.819 8.377 -13.197 1.00 0.00 C ATOM 28 CE1 TYR A 2 -3.452 6.186 -13.593 1.00 0.00 C ATOM 29 CE2 TYR A 2 -1.428 7.376 -14.065 1.00 0.00 C ATOM 30 CZ TYR A 2 -2.248 6.286 -14.263 1.00 0.00 C ATOM 31 OH TYR A 2 -1.862 5.288 -15.126 1.00 0.00 O ATOM 0 H TYR A 2 -3.839 12.132 -12.753 1.00 0.00 H new ATOM 0 HA TYR A 2 -5.327 9.645 -12.587 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -2.590 10.032 -11.343 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -3.773 8.954 -10.628 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -4.780 7.121 -12.211 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -1.172 9.228 -13.043 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -4.088 5.326 -13.742 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -0.485 7.447 -14.586 1.00 0.00 H new ATOM 0 HH TYR A 2 -0.991 5.512 -15.517 1.00 0.00 H new ATOM 41 N TYR A 3 -4.522 11.994 -10.397 1.00 0.00 N ATOM 42 CA TYR A 3 -5.043 12.796 -9.294 1.00 0.00 C ATOM 43 C TYR A 3 -5.326 11.922 -8.066 1.00 0.00 C ATOM 44 O TYR A 3 -5.164 10.702 -8.107 1.00 0.00 O ATOM 45 CB TYR A 3 -6.315 13.529 -9.723 1.00 0.00 C ATOM 46 CG TYR A 3 -6.290 15.008 -9.417 1.00 0.00 C ATOM 47 CD1 TYR A 3 -5.687 15.909 -10.290 1.00 0.00 C ATOM 48 CD2 TYR A 3 -6.871 15.506 -8.257 1.00 0.00 C ATOM 49 CE1 TYR A 3 -5.662 17.261 -10.013 1.00 0.00 C ATOM 50 CE2 TYR A 3 -6.852 16.861 -7.976 1.00 0.00 C ATOM 51 CZ TYR A 3 -6.245 17.732 -8.855 1.00 0.00 C ATOM 52 OH TYR A 3 -6.222 19.083 -8.580 1.00 0.00 O ATOM 0 H TYR A 3 -3.570 12.230 -10.676 1.00 0.00 H new ATOM 0 HA TYR A 3 -4.285 13.531 -9.024 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -6.461 13.390 -10.794 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -7.172 13.077 -9.223 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -5.231 15.544 -11.199 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -7.344 14.826 -7.565 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -5.188 17.947 -10.700 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -7.311 17.234 -7.072 1.00 0.00 H new ATOM 0 HH TYR A 3 -6.676 19.251 -7.728 1.00 0.00 H new ATOM 62 N LEU A 4 -5.748 12.572 -6.981 1.00 0.00 N ATOM 63 CA LEU A 4 -6.061 11.884 -5.728 1.00 0.00 C ATOM 64 C LEU A 4 -4.801 11.379 -5.014 1.00 0.00 C ATOM 65 O LEU A 4 -4.876 10.913 -3.882 1.00 0.00 O ATOM 66 CB LEU A 4 -7.023 10.715 -5.971 1.00 0.00 C ATOM 67 CG LEU A 4 -8.508 11.079 -5.923 1.00 0.00 C ATOM 68 CD1 LEU A 4 -8.918 11.809 -7.183 1.00 0.00 C ATOM 69 CD2 LEU A 4 -9.356 9.829 -5.728 1.00 0.00 C ATOM 0 H LEU A 4 -5.882 13.583 -6.945 1.00 0.00 H new ATOM 0 HA LEU A 4 -6.542 12.617 -5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.803 10.279 -6.945 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.829 9.944 -5.226 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.673 11.743 -5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.978 12.059 -7.130 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.333 12.724 -7.280 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -8.739 11.170 -8.048 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.410 10.106 -5.696 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.186 9.141 -6.556 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.080 9.344 -4.792 1.00 0.00 H new ATOM 81 N VAL A 5 -3.646 11.474 -5.671 1.00 0.00 N ATOM 82 CA VAL A 5 -2.391 11.023 -5.081 1.00 0.00 C ATOM 83 C VAL A 5 -1.193 11.724 -5.721 1.00 0.00 C ATOM 84 O VAL A 5 -1.350 12.514 -6.647 1.00 0.00 O ATOM 85 CB VAL A 5 -2.227 9.499 -5.229 1.00 0.00 C ATOM 86 CG1 VAL A 5 -3.402 8.773 -4.589 1.00 0.00 C ATOM 87 CG2 VAL A 5 -2.083 9.101 -6.691 1.00 0.00 C ATOM 0 H VAL A 5 -3.555 11.859 -6.611 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.425 11.278 -4.022 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.313 9.206 -4.711 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.270 7.697 -4.703 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.450 9.023 -3.529 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.328 9.079 -5.076 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.969 8.019 -6.764 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.972 9.410 -7.241 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.205 9.588 -7.116 1.00 0.00 H new ATOM 97 N VAL A 6 0.003 11.428 -5.223 1.00 0.00 N ATOM 98 CA VAL A 6 1.224 12.029 -5.749 1.00 0.00 C ATOM 99 C VAL A 6 2.462 11.212 -5.358 1.00 0.00 C ATOM 100 O VAL A 6 2.913 10.360 -6.123 1.00 0.00 O ATOM 101 CB VAL A 6 1.399 13.490 -5.281 1.00 0.00 C ATOM 102 CG1 VAL A 6 0.778 14.448 -6.293 1.00 0.00 C ATOM 103 CG2 VAL A 6 0.802 13.718 -3.897 1.00 0.00 C ATOM 0 H VAL A 6 0.153 10.774 -4.454 1.00 0.00 H new ATOM 0 HA VAL A 6 1.125 12.027 -6.835 1.00 0.00 H new ATOM 0 HB VAL A 6 2.469 13.688 -5.212 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.909 15.474 -5.950 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.266 14.323 -7.259 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.286 14.232 -6.394 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.946 14.758 -3.605 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.264 13.492 -3.919 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.296 13.067 -3.176 1.00 0.00 H new ATOM 113 N ASN A 7 3.009 11.479 -4.174 1.00 0.00 N ATOM 114 CA ASN A 7 4.191 10.764 -3.700 1.00 0.00 C ATOM 115 C ASN A 7 3.815 9.763 -2.611 1.00 0.00 C ATOM 116 O ASN A 7 2.689 9.779 -2.121 1.00 0.00 O ATOM 117 CB ASN A 7 5.232 11.755 -3.173 1.00 0.00 C ATOM 118 CG ASN A 7 4.719 12.555 -1.991 1.00 0.00 C ATOM 119 OD1 ASN A 7 4.958 12.209 -0.836 1.00 0.00 O ATOM 120 ND2 ASN A 7 4.010 13.641 -2.283 1.00 0.00 N ATOM 0 H ASN A 7 2.654 12.183 -3.527 1.00 0.00 H new ATOM 0 HA ASN A 7 4.620 10.214 -4.538 1.00 0.00 H new ATOM 0 HB2 ASN A 7 6.131 11.213 -2.879 1.00 0.00 H new ATOM 0 HB3 ASN A 7 5.519 12.437 -3.973 1.00 0.00 H new ATOM 0 HD21 ASN A 7 3.640 14.225 -1.533 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.836 13.890 -3.257 1.00 0.00 H new ATOM 127 N LYS A 8 4.761 8.902 -2.256 1.00 0.00 N ATOM 128 CA LYS A 8 4.530 7.883 -1.229 1.00 0.00 C ATOM 129 C LYS A 8 3.579 6.806 -1.739 1.00 0.00 C ATOM 130 O LYS A 8 3.909 5.620 -1.734 1.00 0.00 O ATOM 131 CB LYS A 8 3.964 8.511 0.049 1.00 0.00 C ATOM 132 CG LYS A 8 3.796 7.518 1.190 1.00 0.00 C ATOM 133 CD LYS A 8 4.506 7.987 2.450 1.00 0.00 C ATOM 134 CE LYS A 8 5.874 7.339 2.590 1.00 0.00 C ATOM 135 NZ LYS A 8 6.514 7.669 3.894 1.00 0.00 N ATOM 0 H LYS A 8 5.697 8.886 -2.662 1.00 0.00 H new ATOM 0 HA LYS A 8 5.491 7.424 -0.997 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.624 9.316 0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.997 8.962 -0.175 1.00 0.00 H new ATOM 0 HG2 LYS A 8 2.735 7.380 1.400 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.191 6.547 0.889 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.616 9.071 2.425 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.898 7.748 3.322 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.775 6.257 2.498 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.518 7.671 1.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.514 7.384 3.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.449 8.693 4.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.026 7.160 4.659 1.00 0.00 H new ATOM 149 N GLN A 9 2.397 7.232 -2.177 1.00 0.00 N ATOM 150 CA GLN A 9 1.378 6.323 -2.696 1.00 0.00 C ATOM 151 C GLN A 9 1.987 5.219 -3.560 1.00 0.00 C ATOM 152 O GLN A 9 1.655 4.044 -3.406 1.00 0.00 O ATOM 153 CB GLN A 9 0.358 7.114 -3.515 1.00 0.00 C ATOM 154 CG GLN A 9 -0.850 6.299 -3.938 1.00 0.00 C ATOM 155 CD GLN A 9 -0.692 5.701 -5.326 1.00 0.00 C ATOM 156 OE1 GLN A 9 0.286 5.011 -5.611 1.00 0.00 O ATOM 157 NE2 GLN A 9 -1.655 5.969 -6.200 1.00 0.00 N ATOM 0 H GLN A 9 2.119 8.213 -2.182 1.00 0.00 H new ATOM 0 HA GLN A 9 0.889 5.847 -1.846 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.021 7.970 -2.930 1.00 0.00 H new ATOM 0 HB3 GLN A 9 0.848 7.509 -4.405 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -1.014 5.498 -3.217 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -1.737 6.933 -3.918 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -2.449 6.546 -5.923 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -1.600 5.598 -7.149 1.00 0.00 H new ATOM 166 N GLN A 10 2.872 5.608 -4.470 1.00 0.00 N ATOM 167 CA GLN A 10 3.520 4.654 -5.365 1.00 0.00 C ATOM 168 C GLN A 10 4.484 3.747 -4.602 1.00 0.00 C ATOM 169 O GLN A 10 4.451 2.523 -4.751 1.00 0.00 O ATOM 170 CB GLN A 10 4.268 5.400 -6.473 1.00 0.00 C ATOM 171 CG GLN A 10 3.550 5.375 -7.807 1.00 0.00 C ATOM 172 CD GLN A 10 2.660 6.588 -8.010 1.00 0.00 C ATOM 173 OE1 GLN A 10 3.081 7.595 -8.583 1.00 0.00 O ATOM 174 NE2 GLN A 10 1.421 6.493 -7.540 1.00 0.00 N ATOM 0 H GLN A 10 3.158 6.577 -4.608 1.00 0.00 H new ATOM 0 HA GLN A 10 2.747 4.028 -5.810 1.00 0.00 H new ATOM 0 HB2 GLN A 10 4.415 6.436 -6.168 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.258 4.959 -6.593 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.285 5.329 -8.611 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.946 4.470 -7.874 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.117 5.639 -7.072 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.774 7.274 -7.647 1.00 0.00 H new ATOM 183 N ASN A 11 5.340 4.353 -3.789 1.00 0.00 N ATOM 184 CA ASN A 11 6.315 3.601 -3.008 1.00 0.00 C ATOM 185 C ASN A 11 5.620 2.621 -2.068 1.00 0.00 C ATOM 186 O ASN A 11 6.155 1.554 -1.763 1.00 0.00 O ATOM 187 CB ASN A 11 7.204 4.560 -2.201 1.00 0.00 C ATOM 188 CG ASN A 11 8.662 4.479 -2.613 1.00 0.00 C ATOM 189 OD1 ASN A 11 9.167 5.348 -3.323 1.00 0.00 O ATOM 190 ND2 ASN A 11 9.344 3.431 -2.167 1.00 0.00 N ATOM 0 H ASN A 11 5.379 5.363 -3.653 1.00 0.00 H new ATOM 0 HA ASN A 11 6.938 3.033 -3.699 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.847 5.581 -2.335 1.00 0.00 H new ATOM 0 HB3 ASN A 11 7.115 4.328 -1.140 1.00 0.00 H new ATOM 0 HD21 ASN A 11 10.328 3.322 -2.411 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.884 2.735 -1.581 1.00 0.00 H new ATOM 197 N ALA A 12 4.428 2.986 -1.610 1.00 0.00 N ATOM 198 CA ALA A 12 3.671 2.136 -0.702 1.00 0.00 C ATOM 199 C ALA A 12 3.053 0.946 -1.437 1.00 0.00 C ATOM 200 O ALA A 12 2.850 -0.109 -0.848 1.00 0.00 O ATOM 201 CB ALA A 12 2.600 2.948 0.017 1.00 0.00 C ATOM 0 H ALA A 12 3.967 3.863 -1.852 1.00 0.00 H new ATOM 0 HA ALA A 12 4.361 1.738 0.042 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.043 2.298 0.692 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.072 3.747 0.589 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.918 3.380 -0.715 1.00 0.00 H new ATOM 207 N PHE A 13 2.768 1.117 -2.728 1.00 0.00 N ATOM 208 CA PHE A 13 2.183 0.040 -3.536 1.00 0.00 C ATOM 209 C PHE A 13 3.059 -1.206 -3.490 1.00 0.00 C ATOM 210 O PHE A 13 2.614 -2.273 -3.070 1.00 0.00 O ATOM 211 CB PHE A 13 2.009 0.502 -4.985 1.00 0.00 C ATOM 212 CG PHE A 13 0.971 -0.276 -5.742 1.00 0.00 C ATOM 213 CD1 PHE A 13 1.140 -1.630 -5.983 1.00 0.00 C ATOM 214 CD2 PHE A 13 -0.174 0.347 -6.212 1.00 0.00 C ATOM 215 CE1 PHE A 13 0.188 -2.348 -6.681 1.00 0.00 C ATOM 216 CE2 PHE A 13 -1.130 -0.366 -6.910 1.00 0.00 C ATOM 217 CZ PHE A 13 -0.950 -1.716 -7.144 1.00 0.00 C ATOM 0 H PHE A 13 2.931 1.986 -3.237 1.00 0.00 H new ATOM 0 HA PHE A 13 1.206 -0.207 -3.120 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.737 1.557 -4.991 1.00 0.00 H new ATOM 0 HB3 PHE A 13 2.965 0.416 -5.502 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.026 -2.130 -5.621 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.321 1.402 -6.031 1.00 0.00 H new ATOM 0 HE1 PHE A 13 0.333 -3.402 -6.865 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -2.017 0.132 -7.272 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.697 -2.276 -7.687 1.00 0.00 H new ATOM 227 N TYR A 14 4.312 -1.064 -3.912 1.00 0.00 N ATOM 228 CA TYR A 14 5.245 -2.187 -3.903 1.00 0.00 C ATOM 229 C TYR A 14 5.366 -2.756 -2.496 1.00 0.00 C ATOM 230 O TYR A 14 5.548 -3.958 -2.322 1.00 0.00 O ATOM 231 CB TYR A 14 6.618 -1.753 -4.424 1.00 0.00 C ATOM 232 CG TYR A 14 6.991 -2.393 -5.743 1.00 0.00 C ATOM 233 CD1 TYR A 14 6.941 -3.772 -5.906 1.00 0.00 C ATOM 234 CD2 TYR A 14 7.393 -1.620 -6.825 1.00 0.00 C ATOM 235 CE1 TYR A 14 7.281 -4.362 -7.109 1.00 0.00 C ATOM 236 CE2 TYR A 14 7.734 -2.202 -8.030 1.00 0.00 C ATOM 237 CZ TYR A 14 7.675 -3.571 -8.165 1.00 0.00 C ATOM 238 OH TYR A 14 8.014 -4.155 -9.365 1.00 0.00 O ATOM 0 H TYR A 14 4.703 -0.189 -4.262 1.00 0.00 H new ATOM 0 HA TYR A 14 4.859 -2.963 -4.564 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.629 -0.669 -4.539 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.376 -2.002 -3.681 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.631 -4.393 -5.079 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.440 -0.546 -6.722 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.238 -5.435 -7.220 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.045 -1.587 -8.862 1.00 0.00 H new ATOM 0 HH TYR A 14 8.268 -3.460 -10.007 1.00 0.00 H new ATOM 248 N GLU A 15 5.238 -1.890 -1.492 1.00 0.00 N ATOM 249 CA GLU A 15 5.303 -2.332 -0.105 1.00 0.00 C ATOM 250 C GLU A 15 4.031 -3.092 0.231 1.00 0.00 C ATOM 251 O GLU A 15 4.086 -4.202 0.752 1.00 0.00 O ATOM 252 CB GLU A 15 5.489 -1.143 0.838 1.00 0.00 C ATOM 253 CG GLU A 15 6.951 -0.811 1.101 1.00 0.00 C ATOM 254 CD GLU A 15 7.376 -1.110 2.525 1.00 0.00 C ATOM 255 OE1 GLU A 15 6.496 -1.167 3.410 1.00 0.00 O ATOM 256 OE2 GLU A 15 8.590 -1.287 2.756 1.00 0.00 O ATOM 0 H GLU A 15 5.090 -0.888 -1.613 1.00 0.00 H new ATOM 0 HA GLU A 15 6.163 -2.989 0.024 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.995 -0.269 0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.996 -1.358 1.786 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.577 -1.379 0.413 1.00 0.00 H new ATOM 0 HG3 GLU A 15 7.123 0.245 0.890 1.00 0.00 H new ATOM 263 N VAL A 16 2.883 -2.513 -0.127 1.00 0.00 N ATOM 264 CA VAL A 16 1.594 -3.169 0.081 1.00 0.00 C ATOM 265 C VAL A 16 1.725 -4.619 -0.323 1.00 0.00 C ATOM 266 O VAL A 16 1.264 -5.533 0.357 1.00 0.00 O ATOM 267 CB VAL A 16 0.512 -2.533 -0.797 1.00 0.00 C ATOM 268 CG1 VAL A 16 -0.797 -3.292 -0.677 1.00 0.00 C ATOM 269 CG2 VAL A 16 0.331 -1.067 -0.445 1.00 0.00 C ATOM 0 H VAL A 16 2.821 -1.592 -0.562 1.00 0.00 H new ATOM 0 HA VAL A 16 1.314 -3.067 1.129 1.00 0.00 H new ATOM 0 HB VAL A 16 0.835 -2.592 -1.836 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.550 -2.821 -1.310 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.650 -4.324 -0.995 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.133 -3.276 0.360 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.442 -0.633 -1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.035 -0.978 0.600 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.270 -0.536 -0.603 1.00 0.00 H new ATOM 279 N LEU A 17 2.394 -4.785 -1.450 1.00 0.00 N ATOM 280 CA LEU A 17 2.667 -6.078 -2.024 1.00 0.00 C ATOM 281 C LEU A 17 3.843 -6.722 -1.284 1.00 0.00 C ATOM 282 O LEU A 17 3.853 -7.921 -1.003 1.00 0.00 O ATOM 283 CB LEU A 17 2.996 -5.883 -3.492 1.00 0.00 C ATOM 284 CG LEU A 17 1.873 -5.272 -4.324 1.00 0.00 C ATOM 285 CD1 LEU A 17 2.282 -5.222 -5.782 1.00 0.00 C ATOM 286 CD2 LEU A 17 0.588 -6.065 -4.161 1.00 0.00 C ATOM 0 H LEU A 17 2.766 -4.008 -1.996 1.00 0.00 H new ATOM 0 HA LEU A 17 1.803 -6.736 -1.930 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.876 -5.245 -3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.263 -6.849 -3.921 1.00 0.00 H new ATOM 0 HG LEU A 17 1.690 -4.257 -3.971 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.476 -4.785 -6.371 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.180 -4.613 -5.887 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.485 -6.232 -6.138 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.199 -5.611 -4.763 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.750 -7.092 -4.490 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.289 -6.063 -3.113 1.00 0.00 H new ATOM 298 N ASN A 18 4.822 -5.875 -0.965 1.00 0.00 N ATOM 299 CA ASN A 18 6.034 -6.253 -0.239 1.00 0.00 C ATOM 300 C ASN A 18 6.632 -7.576 -0.710 1.00 0.00 C ATOM 301 O ASN A 18 7.537 -7.596 -1.544 1.00 0.00 O ATOM 302 CB ASN A 18 5.766 -6.295 1.272 1.00 0.00 C ATOM 303 CG ASN A 18 6.539 -5.225 2.021 1.00 0.00 C ATOM 304 OD1 ASN A 18 7.763 -5.293 2.134 1.00 0.00 O ATOM 305 ND2 ASN A 18 5.828 -4.231 2.538 1.00 0.00 N ATOM 0 H ASN A 18 4.793 -4.885 -1.210 1.00 0.00 H new ATOM 0 HA ASN A 18 6.775 -5.483 -0.456 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.699 -6.165 1.454 1.00 0.00 H new ATOM 0 HB3 ASN A 18 6.038 -7.276 1.660 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.295 -3.484 3.053 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.815 -4.214 2.421 1.00 0.00 H new ATOM 312 N MET A 19 6.157 -8.675 -0.141 1.00 0.00 N ATOM 313 CA MET A 19 6.688 -9.993 -0.476 1.00 0.00 C ATOM 314 C MET A 19 5.588 -10.980 -0.863 1.00 0.00 C ATOM 315 O MET A 19 4.403 -10.718 -0.657 1.00 0.00 O ATOM 316 CB MET A 19 7.478 -10.535 0.715 1.00 0.00 C ATOM 317 CG MET A 19 8.982 -10.347 0.586 1.00 0.00 C ATOM 318 SD MET A 19 9.871 -10.804 2.086 1.00 0.00 S ATOM 319 CE MET A 19 10.451 -9.203 2.636 1.00 0.00 C ATOM 0 H MET A 19 5.408 -8.683 0.552 1.00 0.00 H new ATOM 0 HA MET A 19 7.339 -9.881 -1.343 1.00 0.00 H new ATOM 0 HB2 MET A 19 7.135 -10.039 1.623 1.00 0.00 H new ATOM 0 HB3 MET A 19 7.262 -11.597 0.830 1.00 0.00 H new ATOM 0 HG2 MET A 19 9.349 -10.948 -0.246 1.00 0.00 H new ATOM 0 HG3 MET A 19 9.195 -9.305 0.346 1.00 0.00 H new ATOM 0 HE1 MET A 19 11.021 -9.319 3.558 1.00 0.00 H new ATOM 0 HE2 MET A 19 11.088 -8.763 1.869 1.00 0.00 H new ATOM 0 HE3 MET A 19 9.598 -8.549 2.817 1.00 0.00 H new ATOM 329 N PRO A 20 5.977 -12.143 -1.427 1.00 0.00 N ATOM 330 CA PRO A 20 5.026 -13.178 -1.837 1.00 0.00 C ATOM 331 C PRO A 20 4.172 -13.674 -0.681 1.00 0.00 C ATOM 332 O PRO A 20 3.045 -14.127 -0.881 1.00 0.00 O ATOM 333 CB PRO A 20 5.921 -14.312 -2.370 1.00 0.00 C ATOM 334 CG PRO A 20 7.279 -14.028 -1.828 1.00 0.00 C ATOM 335 CD PRO A 20 7.368 -12.533 -1.702 1.00 0.00 C ATOM 0 HA PRO A 20 4.316 -12.801 -2.573 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.561 -15.286 -2.039 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.928 -14.329 -3.460 1.00 0.00 H new ATOM 0 HG2 PRO A 20 7.422 -14.511 -0.861 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.053 -14.411 -2.493 1.00 0.00 H new ATOM 0 HD2 PRO A 20 8.038 -12.235 -0.896 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.744 -12.072 -2.616 1.00 0.00 H new ATOM 343 N ASN A 21 4.706 -13.570 0.537 1.00 0.00 N ATOM 344 CA ASN A 21 3.973 -13.996 1.730 1.00 0.00 C ATOM 345 C ASN A 21 2.555 -13.436 1.696 1.00 0.00 C ATOM 346 O ASN A 21 1.614 -14.052 2.199 1.00 0.00 O ATOM 347 CB ASN A 21 4.689 -13.529 2.997 1.00 0.00 C ATOM 348 CG ASN A 21 6.182 -13.795 2.955 1.00 0.00 C ATOM 349 OD1 ASN A 21 6.982 -12.880 2.759 1.00 0.00 O ATOM 350 ND2 ASN A 21 6.562 -15.054 3.140 1.00 0.00 N ATOM 0 H ASN A 21 5.637 -13.197 0.723 1.00 0.00 H new ATOM 0 HA ASN A 21 3.928 -15.085 1.740 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.518 -12.461 3.134 1.00 0.00 H new ATOM 0 HB3 ASN A 21 4.258 -14.035 3.861 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.553 -15.295 3.123 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.863 -15.780 3.299 1.00 0.00 H new ATOM 357 N LEU A 22 2.418 -12.267 1.078 1.00 0.00 N ATOM 358 CA LEU A 22 1.129 -11.609 0.939 1.00 0.00 C ATOM 359 C LEU A 22 0.898 -11.225 -0.513 1.00 0.00 C ATOM 360 O LEU A 22 1.840 -11.187 -1.304 1.00 0.00 O ATOM 361 CB LEU A 22 1.058 -10.377 1.843 1.00 0.00 C ATOM 362 CG LEU A 22 0.461 -9.111 1.227 1.00 0.00 C ATOM 363 CD1 LEU A 22 0.020 -8.162 2.325 1.00 0.00 C ATOM 364 CD2 LEU A 22 1.464 -8.439 0.303 1.00 0.00 C ATOM 0 H LEU A 22 3.195 -11.753 0.662 1.00 0.00 H new ATOM 0 HA LEU A 22 0.344 -12.300 1.246 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.473 -10.635 2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.067 -10.147 2.185 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.410 -9.386 0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.404 -7.262 1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -0.732 -8.649 2.946 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.879 -7.892 2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.019 -7.540 -0.125 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.356 -8.169 0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.737 -9.125 -0.498 1.00 0.00 H new ATOM 376 N ASN A 23 -0.358 -10.936 -0.845 1.00 0.00 N ATOM 377 CA ASN A 23 -0.757 -10.538 -2.204 1.00 0.00 C ATOM 378 C ASN A 23 -2.147 -11.082 -2.520 1.00 0.00 C ATOM 379 O ASN A 23 -2.376 -11.694 -3.564 1.00 0.00 O ATOM 380 CB ASN A 23 0.252 -11.020 -3.267 1.00 0.00 C ATOM 381 CG ASN A 23 -0.194 -10.722 -4.687 1.00 0.00 C ATOM 382 OD1 ASN A 23 -0.178 -9.573 -5.126 1.00 0.00 O ATOM 383 ND2 ASN A 23 -0.589 -11.761 -5.414 1.00 0.00 N ATOM 0 H ASN A 23 -1.133 -10.969 -0.183 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.773 -9.449 -2.236 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.216 -10.544 -3.087 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.402 -12.094 -3.157 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.895 -11.623 -6.377 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.586 -12.697 -5.009 1.00 0.00 H new ATOM 390 N GLU A 24 -3.072 -10.845 -1.604 1.00 0.00 N ATOM 391 CA GLU A 24 -4.449 -11.298 -1.770 1.00 0.00 C ATOM 392 C GLU A 24 -5.462 -10.199 -1.417 1.00 0.00 C ATOM 393 O GLU A 24 -5.841 -9.400 -2.273 1.00 0.00 O ATOM 394 CB GLU A 24 -4.695 -12.555 -0.928 1.00 0.00 C ATOM 395 CG GLU A 24 -6.158 -12.959 -0.831 1.00 0.00 C ATOM 396 CD GLU A 24 -6.341 -14.458 -0.723 1.00 0.00 C ATOM 397 OE1 GLU A 24 -5.417 -15.139 -0.233 1.00 0.00 O ATOM 398 OE2 GLU A 24 -7.411 -14.954 -1.129 1.00 0.00 O ATOM 0 H GLU A 24 -2.896 -10.341 -0.735 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.595 -11.541 -2.823 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.128 -13.382 -1.355 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.308 -12.388 0.077 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.607 -12.478 0.038 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.691 -12.594 -1.709 1.00 0.00 H new ATOM 405 N ASP A 25 -5.913 -10.179 -0.167 1.00 0.00 N ATOM 406 CA ASP A 25 -6.897 -9.200 0.287 1.00 0.00 C ATOM 407 C ASP A 25 -6.239 -7.940 0.839 1.00 0.00 C ATOM 408 O ASP A 25 -6.673 -6.823 0.567 1.00 0.00 O ATOM 409 CB ASP A 25 -7.783 -9.829 1.360 1.00 0.00 C ATOM 410 CG ASP A 25 -9.096 -10.344 0.802 1.00 0.00 C ATOM 411 OD1 ASP A 25 -9.541 -9.809 -0.230 1.00 0.00 O ATOM 412 OD2 ASP A 25 -9.663 -11.276 1.401 1.00 0.00 O ATOM 0 H ASP A 25 -5.611 -10.834 0.554 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.497 -8.907 -0.575 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.246 -10.651 1.834 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.986 -9.092 2.137 1.00 0.00 H new ATOM 417 N GLN A 26 -5.207 -8.146 1.644 1.00 0.00 N ATOM 418 CA GLN A 26 -4.477 -7.055 2.289 1.00 0.00 C ATOM 419 C GLN A 26 -4.271 -5.861 1.377 1.00 0.00 C ATOM 420 O GLN A 26 -4.425 -4.711 1.791 1.00 0.00 O ATOM 421 CB GLN A 26 -3.114 -7.549 2.756 1.00 0.00 C ATOM 422 CG GLN A 26 -3.126 -8.162 4.145 1.00 0.00 C ATOM 423 CD GLN A 26 -3.751 -7.250 5.183 1.00 0.00 C ATOM 424 OE1 GLN A 26 -3.862 -6.041 4.978 1.00 0.00 O ATOM 425 NE2 GLN A 26 -4.167 -7.827 6.304 1.00 0.00 N ATOM 0 H GLN A 26 -4.849 -9.074 1.871 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.086 -6.731 3.132 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.743 -8.288 2.046 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.412 -6.715 2.743 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.675 -9.103 4.117 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.104 -8.397 4.442 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.055 -8.833 6.432 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.599 -7.265 7.037 1.00 0.00 H new ATOM 434 N ARG A 27 -3.897 -6.141 0.152 1.00 0.00 N ATOM 435 CA ARG A 27 -3.637 -5.088 -0.815 1.00 0.00 C ATOM 436 C ARG A 27 -4.923 -4.596 -1.444 1.00 0.00 C ATOM 437 O ARG A 27 -4.997 -3.466 -1.913 1.00 0.00 O ATOM 438 CB ARG A 27 -2.659 -5.567 -1.880 1.00 0.00 C ATOM 439 CG ARG A 27 -1.459 -6.300 -1.294 1.00 0.00 C ATOM 440 CD ARG A 27 -1.815 -7.719 -0.885 1.00 0.00 C ATOM 441 NE ARG A 27 -2.849 -8.289 -1.759 1.00 0.00 N ATOM 442 CZ ARG A 27 -2.756 -8.361 -3.091 1.00 0.00 C ATOM 443 NH1 ARG A 27 -1.632 -8.025 -3.702 1.00 0.00 N ATOM 444 NH2 ARG A 27 -3.782 -8.796 -3.809 1.00 0.00 N ATOM 0 H ARG A 27 -3.764 -7.087 -0.204 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.183 -4.249 -0.287 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -3.179 -6.228 -2.573 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -2.310 -4.711 -2.457 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.653 -6.324 -2.027 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.086 -5.754 -0.428 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.922 -8.344 -0.921 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.166 -7.724 0.147 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.694 -8.654 -1.321 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.830 -7.709 -3.157 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.567 -8.082 -4.718 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -4.646 -9.077 -3.346 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.707 -8.850 -4.825 1.00 0.00 H new ATOM 458 N ASN A 28 -5.954 -5.428 -1.438 1.00 0.00 N ATOM 459 CA ASN A 28 -7.231 -5.013 -1.993 1.00 0.00 C ATOM 460 C ASN A 28 -7.661 -3.697 -1.348 1.00 0.00 C ATOM 461 O ASN A 28 -8.068 -2.753 -2.027 1.00 0.00 O ATOM 462 CB ASN A 28 -8.290 -6.092 -1.763 1.00 0.00 C ATOM 463 CG ASN A 28 -9.258 -6.204 -2.919 1.00 0.00 C ATOM 464 OD1 ASN A 28 -9.862 -5.216 -3.340 1.00 0.00 O ATOM 465 ND2 ASN A 28 -9.415 -7.414 -3.442 1.00 0.00 N ATOM 0 H ASN A 28 -5.933 -6.376 -1.063 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.124 -4.867 -3.068 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -7.799 -7.053 -1.609 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -8.842 -5.867 -0.851 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.056 -7.553 -4.223 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -8.895 -8.205 -3.063 1.00 0.00 H new ATOM 472 N ALA A 29 -7.534 -3.638 -0.024 1.00 0.00 N ATOM 473 CA ALA A 29 -7.888 -2.441 0.725 1.00 0.00 C ATOM 474 C ALA A 29 -6.701 -1.489 0.827 1.00 0.00 C ATOM 475 O ALA A 29 -6.874 -0.278 0.961 1.00 0.00 O ATOM 476 CB ALA A 29 -8.389 -2.815 2.112 1.00 0.00 C ATOM 0 H ALA A 29 -7.188 -4.407 0.550 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.687 -1.929 0.189 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -8.650 -1.910 2.661 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -9.269 -3.451 2.022 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.607 -3.352 2.649 1.00 0.00 H new ATOM 482 N PHE A 30 -5.492 -2.044 0.765 1.00 0.00 N ATOM 483 CA PHE A 30 -4.280 -1.238 0.851 1.00 0.00 C ATOM 484 C PHE A 30 -4.002 -0.532 -0.470 1.00 0.00 C ATOM 485 O PHE A 30 -3.702 0.662 -0.489 1.00 0.00 O ATOM 486 CB PHE A 30 -3.090 -2.098 1.281 1.00 0.00 C ATOM 487 CG PHE A 30 -2.988 -2.249 2.761 1.00 0.00 C ATOM 488 CD1 PHE A 30 -4.102 -2.535 3.536 1.00 0.00 C ATOM 489 CD2 PHE A 30 -1.770 -2.082 3.381 1.00 0.00 C ATOM 490 CE1 PHE A 30 -3.990 -2.647 4.906 1.00 0.00 C ATOM 491 CE2 PHE A 30 -1.653 -2.195 4.738 1.00 0.00 C ATOM 492 CZ PHE A 30 -2.761 -2.476 5.510 1.00 0.00 C ATOM 0 H PHE A 30 -5.328 -3.045 0.656 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.432 -0.471 1.610 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.178 -3.084 0.825 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.170 -1.652 0.902 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.064 -2.671 3.064 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.896 -1.859 2.787 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.862 -2.868 5.504 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.689 -2.064 5.208 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.667 -2.562 6.582 1.00 0.00 H new ATOM 502 N ILE A 31 -4.144 -1.248 -1.578 1.00 0.00 N ATOM 503 CA ILE A 31 -3.947 -0.648 -2.879 1.00 0.00 C ATOM 504 C ILE A 31 -4.902 0.535 -3.012 1.00 0.00 C ATOM 505 O ILE A 31 -4.561 1.565 -3.592 1.00 0.00 O ATOM 506 CB ILE A 31 -4.207 -1.663 -4.012 1.00 0.00 C ATOM 507 CG1 ILE A 31 -3.261 -2.865 -3.893 1.00 0.00 C ATOM 508 CG2 ILE A 31 -4.039 -0.988 -5.358 1.00 0.00 C ATOM 509 CD1 ILE A 31 -3.844 -4.148 -4.445 1.00 0.00 C ATOM 0 H ILE A 31 -4.393 -2.237 -1.596 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.912 -0.317 -2.966 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.230 -2.028 -3.924 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.333 -2.641 -4.419 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.005 -3.013 -2.844 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.224 -1.710 -6.153 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.748 -0.165 -5.443 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.023 -0.602 -5.447 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.122 -4.956 -4.328 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.756 -4.396 -3.903 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.074 -4.018 -5.502 1.00 0.00 H new ATOM 521 N GLN A 32 -6.096 0.378 -2.433 1.00 0.00 N ATOM 522 CA GLN A 32 -7.100 1.437 -2.446 1.00 0.00 C ATOM 523 C GLN A 32 -6.704 2.537 -1.463 1.00 0.00 C ATOM 524 O GLN A 32 -6.618 3.709 -1.832 1.00 0.00 O ATOM 525 CB GLN A 32 -8.475 0.874 -2.081 1.00 0.00 C ATOM 526 CG GLN A 32 -9.613 1.856 -2.305 1.00 0.00 C ATOM 527 CD GLN A 32 -10.705 1.293 -3.195 1.00 0.00 C ATOM 528 OE1 GLN A 32 -11.620 0.626 -2.722 1.00 0.00 O ATOM 529 NE2 GLN A 32 -10.607 1.561 -4.492 1.00 0.00 N ATOM 0 H GLN A 32 -6.387 -0.472 -1.951 1.00 0.00 H new ATOM 0 HA GLN A 32 -7.155 1.858 -3.450 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.659 -0.024 -2.671 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -8.468 0.571 -1.034 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -10.042 2.135 -1.342 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -9.218 2.767 -2.754 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.828 2.120 -4.840 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -11.311 1.208 -5.140 1.00 0.00 H new ATOM 538 N SER A 33 -6.437 2.145 -0.215 1.00 0.00 N ATOM 539 CA SER A 33 -6.017 3.093 0.820 1.00 0.00 C ATOM 540 C SER A 33 -4.862 3.942 0.317 1.00 0.00 C ATOM 541 O SER A 33 -4.687 5.093 0.716 1.00 0.00 O ATOM 542 CB SER A 33 -5.586 2.345 2.082 1.00 0.00 C ATOM 543 OG SER A 33 -6.688 2.103 2.938 1.00 0.00 O ATOM 0 H SER A 33 -6.504 1.178 0.103 1.00 0.00 H new ATOM 0 HA SER A 33 -6.862 3.739 1.057 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.123 1.398 1.806 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.832 2.926 2.612 1.00 0.00 H new ATOM 0 HG SER A 33 -7.181 1.317 2.623 1.00 0.00 H new ATOM 549 N LEU A 34 -4.077 3.343 -0.560 1.00 0.00 N ATOM 550 CA LEU A 34 -2.924 3.971 -1.149 1.00 0.00 C ATOM 551 C LEU A 34 -3.324 4.751 -2.394 1.00 0.00 C ATOM 552 O LEU A 34 -3.104 5.958 -2.490 1.00 0.00 O ATOM 553 CB LEU A 34 -1.968 2.835 -1.479 1.00 0.00 C ATOM 554 CG LEU A 34 -0.835 3.108 -2.460 1.00 0.00 C ATOM 555 CD1 LEU A 34 0.141 1.973 -2.333 1.00 0.00 C ATOM 556 CD2 LEU A 34 -1.345 3.176 -3.890 1.00 0.00 C ATOM 0 H LEU A 34 -4.232 2.388 -0.884 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.457 4.691 -0.478 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.524 2.492 -0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.558 2.008 -1.874 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.372 4.068 -2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.972 2.129 -3.021 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.519 1.931 -1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.359 1.035 -2.574 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.512 3.372 -4.565 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.811 2.227 -4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.078 3.978 -3.977 1.00 0.00 H new ATOM 568 N LYS A 35 -3.904 4.034 -3.348 1.00 0.00 N ATOM 569 CA LYS A 35 -4.335 4.625 -4.612 1.00 0.00 C ATOM 570 C LYS A 35 -5.284 5.803 -4.400 1.00 0.00 C ATOM 571 O LYS A 35 -5.398 6.678 -5.258 1.00 0.00 O ATOM 572 CB LYS A 35 -5.013 3.565 -5.482 1.00 0.00 C ATOM 573 CG LYS A 35 -5.277 4.026 -6.907 1.00 0.00 C ATOM 574 CD LYS A 35 -3.988 4.127 -7.710 1.00 0.00 C ATOM 575 CE LYS A 35 -4.081 3.358 -9.018 1.00 0.00 C ATOM 576 NZ LYS A 35 -3.534 4.131 -10.156 1.00 0.00 N ATOM 0 H LYS A 35 -4.089 3.034 -3.271 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.445 5.003 -5.116 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.387 2.673 -5.507 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.958 3.278 -5.021 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -5.957 3.329 -7.396 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -5.773 4.996 -6.890 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.770 5.174 -7.918 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.159 3.740 -7.118 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.539 2.417 -8.925 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -5.123 3.107 -9.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.617 3.571 -11.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.068 5.017 -10.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.533 4.349 -9.978 1.00 0.00 H new ATOM 590 N ASP A 36 -5.975 5.819 -3.265 1.00 0.00 N ATOM 591 CA ASP A 36 -6.919 6.891 -2.966 1.00 0.00 C ATOM 592 C ASP A 36 -6.223 8.100 -2.352 1.00 0.00 C ATOM 593 O ASP A 36 -6.343 9.214 -2.856 1.00 0.00 O ATOM 594 CB ASP A 36 -8.012 6.385 -2.021 1.00 0.00 C ATOM 595 CG ASP A 36 -9.317 7.137 -2.191 1.00 0.00 C ATOM 596 OD1 ASP A 36 -9.483 8.193 -1.544 1.00 0.00 O ATOM 597 OD2 ASP A 36 -10.175 6.669 -2.970 1.00 0.00 O ATOM 0 H ASP A 36 -5.900 5.106 -2.540 1.00 0.00 H new ATOM 0 HA ASP A 36 -7.369 7.205 -3.908 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.181 5.323 -2.201 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.671 6.483 -0.990 1.00 0.00 H new ATOM 602 N ASP A 37 -5.505 7.882 -1.255 1.00 0.00 N ATOM 603 CA ASP A 37 -4.807 8.971 -0.581 1.00 0.00 C ATOM 604 C ASP A 37 -3.345 8.616 -0.311 1.00 0.00 C ATOM 605 O ASP A 37 -3.047 7.558 0.246 1.00 0.00 O ATOM 606 CB ASP A 37 -5.508 9.310 0.736 1.00 0.00 C ATOM 607 CG ASP A 37 -6.850 9.980 0.520 1.00 0.00 C ATOM 608 OD1 ASP A 37 -7.421 9.827 -0.581 1.00 0.00 O ATOM 609 OD2 ASP A 37 -7.332 10.658 1.452 1.00 0.00 O ATOM 0 H ASP A 37 -5.391 6.968 -0.816 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.830 9.839 -1.240 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.650 8.397 1.315 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.868 9.966 1.327 1.00 0.00 H new ATOM 614 N PRO A 38 -2.408 9.505 -0.694 1.00 0.00 N ATOM 615 CA PRO A 38 -0.977 9.286 -0.481 1.00 0.00 C ATOM 616 C PRO A 38 -0.558 9.638 0.943 1.00 0.00 C ATOM 617 O PRO A 38 0.363 9.041 1.496 1.00 0.00 O ATOM 618 CB PRO A 38 -0.336 10.242 -1.474 1.00 0.00 C ATOM 619 CG PRO A 38 -1.295 11.382 -1.556 1.00 0.00 C ATOM 620 CD PRO A 38 -2.671 10.797 -1.354 1.00 0.00 C ATOM 0 HA PRO A 38 -0.686 8.245 -0.620 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.646 10.571 -1.133 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.194 9.770 -2.446 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.075 12.130 -0.794 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.223 11.881 -2.522 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.294 11.443 -0.735 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.193 10.664 -2.302 1.00 0.00 H new ATOM 628 N SER A 39 -1.250 10.608 1.536 1.00 0.00 N ATOM 629 CA SER A 39 -0.954 11.029 2.901 1.00 0.00 C ATOM 630 C SER A 39 -1.023 9.836 3.845 1.00 0.00 C ATOM 631 O SER A 39 -0.281 9.756 4.825 1.00 0.00 O ATOM 632 CB SER A 39 -1.937 12.110 3.350 1.00 0.00 C ATOM 633 OG SER A 39 -1.855 12.326 4.749 1.00 0.00 O ATOM 0 H SER A 39 -2.017 11.115 1.094 1.00 0.00 H new ATOM 0 HA SER A 39 0.055 11.442 2.926 1.00 0.00 H new ATOM 0 HB2 SER A 39 -1.725 13.040 2.822 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.952 11.816 3.083 1.00 0.00 H new ATOM 0 HG SER A 39 -2.493 13.023 5.010 1.00 0.00 H new ATOM 639 N GLN A 40 -1.914 8.902 3.529 1.00 0.00 N ATOM 640 CA GLN A 40 -2.083 7.696 4.330 1.00 0.00 C ATOM 641 C GLN A 40 -1.497 6.490 3.603 1.00 0.00 C ATOM 642 O GLN A 40 -1.843 5.348 3.900 1.00 0.00 O ATOM 643 CB GLN A 40 -3.567 7.446 4.627 1.00 0.00 C ATOM 644 CG GLN A 40 -4.423 8.710 4.631 1.00 0.00 C ATOM 645 CD GLN A 40 -5.413 8.739 5.779 1.00 0.00 C ATOM 646 OE1 GLN A 40 -5.618 9.777 6.411 1.00 0.00 O ATOM 647 NE2 GLN A 40 -6.033 7.599 6.055 1.00 0.00 N ATOM 0 H GLN A 40 -2.533 8.958 2.720 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.554 7.839 5.272 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -3.964 6.754 3.884 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.655 6.957 5.597 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.774 9.584 4.693 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.964 8.781 3.687 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -5.833 6.763 5.505 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -6.710 7.558 6.817 1.00 0.00 H new ATOM 656 N SER A 41 -0.605 6.748 2.649 1.00 0.00 N ATOM 657 CA SER A 41 0.020 5.672 1.897 1.00 0.00 C ATOM 658 C SER A 41 1.122 5.013 2.713 1.00 0.00 C ATOM 659 O SER A 41 1.465 3.852 2.493 1.00 0.00 O ATOM 660 CB SER A 41 0.561 6.179 0.563 1.00 0.00 C ATOM 661 OG SER A 41 -0.467 6.205 -0.410 1.00 0.00 O ATOM 0 H SER A 41 -0.303 7.685 2.383 1.00 0.00 H new ATOM 0 HA SER A 41 -0.742 4.922 1.686 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.977 7.179 0.689 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.374 5.536 0.225 1.00 0.00 H new ATOM 0 HG SER A 41 -1.278 6.593 -0.019 1.00 0.00 H new ATOM 667 N ALA A 42 1.646 5.745 3.679 1.00 0.00 N ATOM 668 CA ALA A 42 2.669 5.208 4.553 1.00 0.00 C ATOM 669 C ALA A 42 2.026 4.230 5.532 1.00 0.00 C ATOM 670 O ALA A 42 2.685 3.344 6.073 1.00 0.00 O ATOM 671 CB ALA A 42 3.390 6.324 5.294 1.00 0.00 C ATOM 0 H ALA A 42 1.380 6.710 3.877 1.00 0.00 H new ATOM 0 HA ALA A 42 3.413 4.681 3.955 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.153 5.896 5.944 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.861 6.994 4.574 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.674 6.883 5.896 1.00 0.00 H new ATOM 677 N ASN A 43 0.716 4.400 5.738 1.00 0.00 N ATOM 678 CA ASN A 43 -0.048 3.542 6.629 1.00 0.00 C ATOM 679 C ASN A 43 -0.190 2.172 5.996 1.00 0.00 C ATOM 680 O ASN A 43 0.064 1.144 6.623 1.00 0.00 O ATOM 681 CB ASN A 43 -1.433 4.147 6.846 1.00 0.00 C ATOM 682 CG ASN A 43 -1.525 4.940 8.137 1.00 0.00 C ATOM 683 OD1 ASN A 43 -2.490 4.809 8.890 1.00 0.00 O ATOM 684 ND2 ASN A 43 -0.521 5.766 8.397 1.00 0.00 N ATOM 0 H ASN A 43 0.165 5.133 5.292 1.00 0.00 H new ATOM 0 HA ASN A 43 0.464 3.453 7.587 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.678 4.797 6.006 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -2.176 3.350 6.859 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.528 6.325 9.250 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.259 5.842 7.744 1.00 0.00 H new ATOM 691 N VAL A 44 -0.569 2.187 4.728 1.00 0.00 N ATOM 692 CA VAL A 44 -0.719 0.969 3.956 1.00 0.00 C ATOM 693 C VAL A 44 0.616 0.244 3.885 1.00 0.00 C ATOM 694 O VAL A 44 0.700 -0.965 4.075 1.00 0.00 O ATOM 695 CB VAL A 44 -1.213 1.250 2.521 1.00 0.00 C ATOM 696 CG1 VAL A 44 -2.712 1.058 2.433 1.00 0.00 C ATOM 697 CG2 VAL A 44 -0.849 2.639 2.026 1.00 0.00 C ATOM 0 H VAL A 44 -0.780 3.040 4.210 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.466 0.353 4.457 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.704 0.534 1.876 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.046 1.260 1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.964 0.032 2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.208 1.744 3.120 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.225 2.774 1.012 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.296 3.387 2.681 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.235 2.754 2.030 1.00 0.00 H new ATOM 707 N LEU A 45 1.659 1.017 3.624 1.00 0.00 N ATOM 708 CA LEU A 45 3.018 0.506 3.536 1.00 0.00 C ATOM 709 C LEU A 45 3.493 0.041 4.906 1.00 0.00 C ATOM 710 O LEU A 45 4.123 -1.006 5.038 1.00 0.00 O ATOM 711 CB LEU A 45 3.948 1.600 2.991 1.00 0.00 C ATOM 712 CG LEU A 45 5.450 1.345 3.156 1.00 0.00 C ATOM 713 CD1 LEU A 45 6.241 2.166 2.149 1.00 0.00 C ATOM 714 CD2 LEU A 45 5.898 1.665 4.575 1.00 0.00 C ATOM 0 H LEU A 45 1.586 2.022 3.466 1.00 0.00 H new ATOM 0 HA LEU A 45 3.037 -0.346 2.856 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.736 1.734 1.930 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.702 2.539 3.487 1.00 0.00 H new ATOM 0 HG LEU A 45 5.641 0.288 2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.306 1.974 2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 45 5.943 1.888 1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.042 3.226 2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 45 6.967 1.477 4.670 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.693 2.713 4.794 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.355 1.035 5.279 1.00 0.00 H new ATOM 725 N ALA A 46 3.179 0.832 5.931 1.00 0.00 N ATOM 726 CA ALA A 46 3.563 0.499 7.294 1.00 0.00 C ATOM 727 C ALA A 46 3.066 -0.890 7.657 1.00 0.00 C ATOM 728 O ALA A 46 3.838 -1.760 8.072 1.00 0.00 O ATOM 729 CB ALA A 46 3.015 1.534 8.265 1.00 0.00 C ATOM 0 H ALA A 46 2.661 1.706 5.840 1.00 0.00 H new ATOM 0 HA ALA A 46 4.651 0.505 7.362 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.310 1.272 9.281 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.414 2.516 8.013 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.927 1.556 8.198 1.00 0.00 H new ATOM 735 N GLU A 47 1.773 -1.113 7.468 1.00 0.00 N ATOM 736 CA GLU A 47 1.207 -2.409 7.751 1.00 0.00 C ATOM 737 C GLU A 47 1.586 -3.371 6.638 1.00 0.00 C ATOM 738 O GLU A 47 1.758 -4.562 6.877 1.00 0.00 O ATOM 739 CB GLU A 47 -0.310 -2.327 7.918 1.00 0.00 C ATOM 740 CG GLU A 47 -0.759 -1.257 8.901 1.00 0.00 C ATOM 741 CD GLU A 47 -0.234 -1.495 10.302 1.00 0.00 C ATOM 742 OE1 GLU A 47 1.002 -1.572 10.468 1.00 0.00 O ATOM 743 OE2 GLU A 47 -1.058 -1.604 11.235 1.00 0.00 O ATOM 0 H GLU A 47 1.110 -0.419 7.124 1.00 0.00 H new ATOM 0 HA GLU A 47 1.611 -2.776 8.695 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.764 -2.129 6.947 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.683 -3.295 8.253 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.420 -0.282 8.551 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.848 -1.226 8.926 1.00 0.00 H new ATOM 750 N ALA A 48 1.753 -2.845 5.416 1.00 0.00 N ATOM 751 CA ALA A 48 2.147 -3.685 4.283 1.00 0.00 C ATOM 752 C ALA A 48 3.285 -4.614 4.678 1.00 0.00 C ATOM 753 O ALA A 48 3.409 -5.727 4.168 1.00 0.00 O ATOM 754 CB ALA A 48 2.554 -2.826 3.104 1.00 0.00 C ATOM 0 H ALA A 48 1.623 -1.858 5.192 1.00 0.00 H new ATOM 0 HA ALA A 48 1.290 -4.292 3.991 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.844 -3.466 2.271 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.715 -2.198 2.805 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.397 -2.195 3.387 1.00 0.00 H new ATOM 760 N GLN A 49 4.102 -4.140 5.606 1.00 0.00 N ATOM 761 CA GLN A 49 5.230 -4.899 6.110 1.00 0.00 C ATOM 762 C GLN A 49 4.780 -5.916 7.152 1.00 0.00 C ATOM 763 O GLN A 49 5.306 -7.028 7.222 1.00 0.00 O ATOM 764 CB GLN A 49 6.226 -3.934 6.734 1.00 0.00 C ATOM 765 CG GLN A 49 7.339 -3.508 5.796 1.00 0.00 C ATOM 766 CD GLN A 49 8.595 -4.341 5.961 1.00 0.00 C ATOM 767 OE1 GLN A 49 8.917 -5.177 5.117 1.00 0.00 O ATOM 768 NE2 GLN A 49 9.313 -4.118 7.055 1.00 0.00 N ATOM 0 H GLN A 49 3.999 -3.218 6.029 1.00 0.00 H new ATOM 0 HA GLN A 49 5.692 -5.441 5.285 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.692 -3.047 7.075 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.666 -4.401 7.616 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.990 -3.585 4.766 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.577 -2.459 5.974 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.010 -3.415 7.729 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.168 -4.649 7.221 1.00 0.00 H new ATOM 777 N LYS A 50 3.811 -5.521 7.971 1.00 0.00 N ATOM 778 CA LYS A 50 3.296 -6.391 9.025 1.00 0.00 C ATOM 779 C LYS A 50 2.341 -7.442 8.469 1.00 0.00 C ATOM 780 O LYS A 50 2.360 -8.591 8.898 1.00 0.00 O ATOM 781 CB LYS A 50 2.584 -5.556 10.099 1.00 0.00 C ATOM 782 CG LYS A 50 1.641 -6.359 10.992 1.00 0.00 C ATOM 783 CD LYS A 50 0.701 -5.450 11.767 1.00 0.00 C ATOM 784 CE LYS A 50 1.144 -5.285 13.211 1.00 0.00 C ATOM 785 NZ LYS A 50 0.033 -4.811 14.081 1.00 0.00 N ATOM 0 H LYS A 50 3.366 -4.604 7.926 1.00 0.00 H new ATOM 0 HA LYS A 50 4.145 -6.910 9.470 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.335 -5.072 10.724 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.017 -4.763 9.611 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.060 -7.050 10.381 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.223 -6.962 11.689 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.659 -4.473 11.285 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.308 -5.862 11.740 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.519 -6.237 13.587 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.970 -4.576 13.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.375 -4.711 15.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.308 -3.890 13.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.746 -5.500 14.056 1.00 0.00 H new ATOM 799 N LEU A 51 1.495 -7.034 7.534 1.00 0.00 N ATOM 800 CA LEU A 51 0.519 -7.943 6.945 1.00 0.00 C ATOM 801 C LEU A 51 1.214 -9.071 6.206 1.00 0.00 C ATOM 802 O LEU A 51 0.860 -10.239 6.349 1.00 0.00 O ATOM 803 CB LEU A 51 -0.432 -7.222 5.976 1.00 0.00 C ATOM 804 CG LEU A 51 -0.693 -5.742 6.257 1.00 0.00 C ATOM 805 CD1 LEU A 51 -0.721 -4.949 4.962 1.00 0.00 C ATOM 806 CD2 LEU A 51 -1.989 -5.567 7.024 1.00 0.00 C ATOM 0 H LEU A 51 1.464 -6.083 7.167 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.069 -8.346 7.769 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.026 -7.312 4.968 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.388 -7.745 5.983 1.00 0.00 H new ATOM 0 HG LEU A 51 0.121 -5.359 6.872 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.908 -3.898 5.183 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.238 -5.048 4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.513 -5.331 4.318 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.158 -4.507 7.215 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.816 -5.967 6.437 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.926 -6.101 7.972 1.00 0.00 H new ATOM 818 N ASN A 52 2.209 -8.714 5.410 1.00 0.00 N ATOM 819 CA ASN A 52 2.951 -9.711 4.648 1.00 0.00 C ATOM 820 C ASN A 52 3.525 -10.763 5.577 1.00 0.00 C ATOM 821 O ASN A 52 3.557 -11.951 5.252 1.00 0.00 O ATOM 822 CB ASN A 52 4.079 -9.060 3.857 1.00 0.00 C ATOM 823 CG ASN A 52 4.777 -10.039 2.936 1.00 0.00 C ATOM 824 OD1 ASN A 52 4.350 -10.256 1.801 1.00 0.00 O ATOM 825 ND2 ASN A 52 5.858 -10.637 3.423 1.00 0.00 N ATOM 0 H ASN A 52 2.521 -7.752 5.274 1.00 0.00 H new ATOM 0 HA ASN A 52 2.260 -10.184 3.950 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.678 -8.235 3.269 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.806 -8.634 4.549 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.371 -11.307 2.851 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.175 -10.426 4.369 1.00 0.00 H new ATOM 832 N ASP A 53 3.975 -10.314 6.736 1.00 0.00 N ATOM 833 CA ASP A 53 4.547 -11.210 7.719 1.00 0.00 C ATOM 834 C ASP A 53 3.460 -11.784 8.627 1.00 0.00 C ATOM 835 O ASP A 53 3.622 -12.863 9.198 1.00 0.00 O ATOM 836 CB ASP A 53 5.606 -10.494 8.557 1.00 0.00 C ATOM 837 CG ASP A 53 6.659 -9.813 7.703 1.00 0.00 C ATOM 838 OD1 ASP A 53 6.296 -9.233 6.659 1.00 0.00 O ATOM 839 OD2 ASP A 53 7.848 -9.860 8.082 1.00 0.00 O ATOM 0 H ASP A 53 3.954 -9.334 7.017 1.00 0.00 H new ATOM 0 HA ASP A 53 5.024 -12.031 7.184 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.122 -9.752 9.192 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.089 -11.213 9.219 1.00 0.00 H new ATOM 844 N VAL A 54 2.355 -11.049 8.761 1.00 0.00 N ATOM 845 CA VAL A 54 1.247 -11.477 9.605 1.00 0.00 C ATOM 846 C VAL A 54 0.801 -12.896 9.255 1.00 0.00 C ATOM 847 O VAL A 54 0.228 -13.601 10.084 1.00 0.00 O ATOM 848 CB VAL A 54 0.042 -10.503 9.507 1.00 0.00 C ATOM 849 CG1 VAL A 54 -0.837 -10.805 8.300 1.00 0.00 C ATOM 850 CG2 VAL A 54 -0.783 -10.568 10.775 1.00 0.00 C ATOM 0 H VAL A 54 2.207 -10.154 8.294 1.00 0.00 H new ATOM 0 HA VAL A 54 1.610 -11.468 10.633 1.00 0.00 H new ATOM 0 HB VAL A 54 0.442 -9.497 9.382 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.668 -10.100 8.270 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.248 -10.711 7.388 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.225 -11.821 8.378 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.626 -9.881 10.696 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.154 -11.583 10.916 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.164 -10.286 11.627 1.00 0.00 H new ATOM 860 N GLN A 55 1.066 -13.301 8.015 1.00 0.00 N ATOM 861 CA GLN A 55 0.689 -14.632 7.549 1.00 0.00 C ATOM 862 C GLN A 55 1.809 -15.271 6.735 1.00 0.00 C ATOM 863 O GLN A 55 1.565 -16.153 5.913 1.00 0.00 O ATOM 864 CB GLN A 55 -0.585 -14.554 6.704 1.00 0.00 C ATOM 865 CG GLN A 55 -0.418 -13.741 5.429 1.00 0.00 C ATOM 866 CD GLN A 55 -1.602 -12.837 5.155 1.00 0.00 C ATOM 867 OE1 GLN A 55 -2.660 -13.294 4.721 1.00 0.00 O ATOM 868 NE2 GLN A 55 -1.431 -11.545 5.408 1.00 0.00 N ATOM 0 H GLN A 55 1.539 -12.728 7.317 1.00 0.00 H new ATOM 0 HA GLN A 55 0.506 -15.254 8.425 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.901 -15.564 6.443 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.383 -14.116 7.303 1.00 0.00 H new ATOM 0 HG2 GLN A 55 0.486 -13.137 5.504 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.280 -14.418 4.586 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.537 -11.210 5.767 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.193 -10.888 5.243 1.00 0.00 H new ATOM 877 N ALA A 56 3.039 -14.820 6.965 1.00 0.00 N ATOM 878 CA ALA A 56 4.190 -15.353 6.248 1.00 0.00 C ATOM 879 C ALA A 56 4.517 -16.774 6.702 1.00 0.00 C ATOM 880 O ALA A 56 4.465 -17.712 5.907 1.00 0.00 O ATOM 881 CB ALA A 56 5.395 -14.443 6.426 1.00 0.00 C ATOM 0 H ALA A 56 3.262 -14.089 7.640 1.00 0.00 H new ATOM 0 HA ALA A 56 3.937 -15.393 5.189 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.246 -14.856 5.884 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.163 -13.452 6.037 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.641 -14.368 7.485 1.00 0.00 H new ATOM 887 N PRO A 57 4.857 -16.956 7.990 1.00 0.00 N ATOM 888 CA PRO A 57 5.188 -18.277 8.536 1.00 0.00 C ATOM 889 C PRO A 57 4.004 -19.235 8.479 1.00 0.00 C ATOM 890 O PRO A 57 4.145 -20.388 8.073 1.00 0.00 O ATOM 891 CB PRO A 57 5.574 -17.986 9.989 1.00 0.00 C ATOM 892 CG PRO A 57 4.947 -16.670 10.302 1.00 0.00 C ATOM 893 CD PRO A 57 4.943 -15.899 9.013 1.00 0.00 C ATOM 0 HA PRO A 57 5.980 -18.764 7.967 1.00 0.00 H new ATOM 0 HB2 PRO A 57 5.209 -18.766 10.658 1.00 0.00 H new ATOM 0 HB3 PRO A 57 6.657 -17.945 10.109 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.934 -16.801 10.682 1.00 0.00 H new ATOM 0 HG3 PRO A 57 5.510 -16.142 11.071 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.097 -15.214 8.956 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.847 -15.300 8.899 1.00 0.00 H new ATOM 901 N LYS A 58 2.835 -18.749 8.885 1.00 0.00 N ATOM 902 CA LYS A 58 1.622 -19.561 8.879 1.00 0.00 C ATOM 903 C LYS A 58 1.807 -20.821 9.721 1.00 0.00 C ATOM 904 O LYS A 58 2.486 -21.762 9.308 1.00 0.00 O ATOM 905 CB LYS A 58 1.244 -19.939 7.439 1.00 0.00 C ATOM 906 CG LYS A 58 -0.107 -19.394 7.004 1.00 0.00 C ATOM 907 CD LYS A 58 -0.903 -20.429 6.224 1.00 0.00 C ATOM 908 CE LYS A 58 -0.821 -20.184 4.726 1.00 0.00 C ATOM 909 NZ LYS A 58 -1.840 -19.201 4.267 1.00 0.00 N ATOM 0 H LYS A 58 2.702 -17.796 9.223 1.00 0.00 H new ATOM 0 HA LYS A 58 0.815 -18.972 9.315 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.012 -19.568 6.761 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.236 -21.025 7.347 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.674 -19.083 7.881 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.039 -18.507 6.388 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.526 -21.426 6.452 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.945 -20.402 6.541 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.175 -19.820 4.472 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.961 -21.126 4.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.750 -19.062 3.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -2.791 -19.559 4.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.691 -18.294 4.753 1.00 0.00 H new ATOM 923 N ALA A 59 1.197 -20.833 10.901 1.00 0.00 N ATOM 924 CA ALA A 59 1.292 -21.977 11.800 1.00 0.00 C ATOM 925 C ALA A 59 2.744 -22.261 12.174 1.00 0.00 C ATOM 926 O ALA A 59 2.977 -23.206 12.956 1.00 0.00 O ATOM 927 CB ALA A 59 0.662 -23.204 11.159 1.00 0.00 C ATOM 928 OXT ALA A 59 3.633 -21.535 11.682 1.00 0.00 O ATOM 0 H ALA A 59 0.631 -20.063 11.257 1.00 0.00 H new ATOM 0 HA ALA A 59 0.748 -21.737 12.714 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.740 -24.051 11.841 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.388 -23.005 10.946 1.00 0.00 H new ATOM 0 HB3 ALA A 59 1.182 -23.437 10.230 1.00 0.00 H new TER 934 ALA A 59