USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 418 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 ALA N :NH3+ -169:sc= -0.031 (180deg=-0.239) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= -0.73 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= -0.0755 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -1.64 K(o=-1.6,f=-5.3!) USER MOD Single : A 15 LYS NZ :NH3+ -112:sc= 0.157 (180deg=-1.04) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -1.68! C(o=-1.7!,f=-9.3!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0191 X(o=-0.019,f=-0.091) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0088 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0.429 X(o=0.43,f=-0.055) USER MOD Single : A 41 ASN : amide:sc= -3.25! C(o=-3.2!,f=-2.1!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0399 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 50 ASN : amide:sc= -0.137 K(o=-0.14,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.560 0.382 -0.857 1.00 42.43 N ATOM 2 CA ALA A 1 1.814 0.083 -1.538 1.00 0.23 C ATOM 3 C ALA A 1 1.732 -1.246 -2.281 1.00 53.53 C ATOM 4 O ALA A 1 2.427 -1.457 -3.275 1.00 53.13 O ATOM 5 CB ALA A 1 2.963 0.062 -0.541 1.00 4.11 C ATOM 0 H1 ALA A 1 0.575 1.365 -0.518 1.00 42.43 H new ATOM 0 H2 ALA A 1 -0.233 0.255 -1.518 1.00 42.43 H new ATOM 0 H3 ALA A 1 0.442 -0.261 -0.048 1.00 42.43 H new ATOM 0 HA ALA A 1 1.997 0.868 -2.271 1.00 0.23 H new ATOM 0 HB1 ALA A 1 3.893 -0.162 -1.063 1.00 4.11 H new ATOM 0 HB2 ALA A 1 3.044 1.036 -0.058 1.00 4.11 H new ATOM 0 HB3 ALA A 1 2.776 -0.703 0.213 1.00 4.11 H new ATOM 11 N LYS A 2 0.878 -2.139 -1.793 1.00 62.33 N ATOM 12 CA LYS A 2 0.704 -3.448 -2.411 1.00 72.43 C ATOM 13 C LYS A 2 -0.501 -3.452 -3.347 1.00 64.03 C ATOM 14 O LYS A 2 -1.635 -3.241 -2.916 1.00 65.42 O ATOM 15 CB LYS A 2 0.531 -4.524 -1.336 1.00 40.24 C ATOM 16 CG LYS A 2 1.843 -5.007 -0.743 1.00 61.44 C ATOM 17 CD LYS A 2 1.623 -5.763 0.557 1.00 53.44 C ATOM 18 CE LYS A 2 1.975 -7.235 0.412 1.00 34.33 C ATOM 19 NZ LYS A 2 1.255 -8.078 1.408 1.00 44.52 N ATOM 0 H LYS A 2 0.295 -1.980 -0.971 1.00 62.33 H new ATOM 0 HA LYS A 2 1.597 -3.667 -2.996 1.00 72.43 H new ATOM 0 HB2 LYS A 2 -0.096 -4.130 -0.536 1.00 40.24 H new ATOM 0 HB3 LYS A 2 0.002 -5.374 -1.766 1.00 40.24 H new ATOM 0 HG2 LYS A 2 2.351 -5.653 -1.459 1.00 61.44 H new ATOM 0 HG3 LYS A 2 2.498 -4.154 -0.563 1.00 61.44 H new ATOM 0 HD2 LYS A 2 2.231 -5.318 1.345 1.00 53.44 H new ATOM 0 HD3 LYS A 2 0.582 -5.665 0.864 1.00 53.44 H new ATOM 0 HE2 LYS A 2 1.727 -7.570 -0.595 1.00 34.33 H new ATOM 0 HE3 LYS A 2 3.050 -7.365 0.535 1.00 34.33 H new ATOM 0 HZ1 LYS A 2 1.522 -9.075 1.277 1.00 44.52 H new ATOM 0 HZ2 LYS A 2 1.511 -7.775 2.369 1.00 44.52 H new ATOM 0 HZ3 LYS A 2 0.229 -7.974 1.274 1.00 44.52 H new ATOM 33 N TYR A 3 -0.247 -3.694 -4.629 1.00 15.14 N ATOM 34 CA TYR A 3 -1.311 -3.724 -5.625 1.00 72.14 C ATOM 35 C TYR A 3 -1.527 -5.141 -6.149 1.00 13.32 C ATOM 36 O TYR A 3 -0.574 -5.842 -6.491 1.00 34.15 O ATOM 37 CB TYR A 3 -0.978 -2.785 -6.786 1.00 11.11 C ATOM 38 CG TYR A 3 -0.908 -1.329 -6.385 1.00 43.33 C ATOM 39 CD1 TYR A 3 -2.033 -0.662 -5.916 1.00 50.24 C ATOM 40 CD2 TYR A 3 0.283 -0.619 -6.477 1.00 24.34 C ATOM 41 CE1 TYR A 3 -1.974 0.669 -5.550 1.00 22.21 C ATOM 42 CE2 TYR A 3 0.352 0.711 -6.111 1.00 2.11 C ATOM 43 CZ TYR A 3 -0.779 1.351 -5.648 1.00 61.34 C ATOM 44 OH TYR A 3 -0.715 2.676 -5.285 1.00 2.35 O ATOM 0 H TYR A 3 0.686 -3.872 -5.002 1.00 15.14 H new ATOM 0 HA TYR A 3 -2.231 -3.388 -5.147 1.00 72.14 H new ATOM 0 HB2 TYR A 3 -0.022 -3.080 -7.219 1.00 11.11 H new ATOM 0 HB3 TYR A 3 -1.731 -2.903 -7.565 1.00 11.11 H new ATOM 0 HD1 TYR A 3 -2.970 -1.193 -5.836 1.00 50.24 H new ATOM 0 HD2 TYR A 3 1.170 -1.116 -6.841 1.00 24.34 H new ATOM 0 HE1 TYR A 3 -2.859 1.173 -5.189 1.00 22.21 H new ATOM 0 HE2 TYR A 3 1.286 1.247 -6.187 1.00 2.11 H new ATOM 0 HH TYR A 3 0.199 3.007 -5.413 1.00 2.35 H new ATOM 54 N THR A 4 -2.789 -5.556 -6.210 1.00 23.24 N ATOM 55 CA THR A 4 -3.132 -6.888 -6.690 1.00 73.44 C ATOM 56 C THR A 4 -3.739 -6.829 -8.088 1.00 20.24 C ATOM 57 O THR A 4 -4.722 -6.126 -8.319 1.00 22.31 O ATOM 58 CB THR A 4 -4.123 -7.590 -5.742 1.00 50.31 C ATOM 59 OG1 THR A 4 -4.171 -6.901 -4.487 1.00 71.34 O ATOM 60 CG2 THR A 4 -3.722 -9.039 -5.516 1.00 24.52 C ATOM 0 H THR A 4 -3.590 -4.988 -5.933 1.00 23.24 H new ATOM 0 HA THR A 4 -2.205 -7.460 -6.722 1.00 73.44 H new ATOM 0 HB THR A 4 -5.110 -7.571 -6.205 1.00 50.31 H new ATOM 0 HG1 THR A 4 -4.804 -7.352 -3.890 1.00 71.34 H new ATOM 0 HG21 THR A 4 -4.437 -9.514 -4.844 1.00 24.52 H new ATOM 0 HG22 THR A 4 -3.715 -9.567 -6.469 1.00 24.52 H new ATOM 0 HG23 THR A 4 -2.727 -9.076 -5.073 1.00 24.52 H new ATOM 68 N GLY A 5 -3.147 -7.573 -9.017 1.00 62.02 N ATOM 69 CA GLY A 5 -3.644 -7.591 -10.381 1.00 3.15 C ATOM 70 C GLY A 5 -3.646 -8.984 -10.979 1.00 2.33 C ATOM 71 O GLY A 5 -2.965 -9.882 -10.483 1.00 0.20 O ATOM 0 H GLY A 5 -2.332 -8.164 -8.850 1.00 62.02 H new ATOM 0 HA2 GLY A 5 -4.657 -7.189 -10.401 1.00 3.15 H new ATOM 0 HA3 GLY A 5 -3.029 -6.935 -10.997 1.00 3.15 H new ATOM 75 N LYS A 6 -4.415 -9.166 -12.047 1.00 4.11 N ATOM 76 CA LYS A 6 -4.504 -10.459 -12.714 1.00 71.22 C ATOM 77 C LYS A 6 -3.942 -10.381 -14.130 1.00 40.00 C ATOM 78 O LYS A 6 -4.108 -9.375 -14.820 1.00 52.23 O ATOM 79 CB LYS A 6 -5.958 -10.935 -12.757 1.00 11.31 C ATOM 80 CG LYS A 6 -6.610 -11.023 -11.388 1.00 2.52 C ATOM 81 CD LYS A 6 -7.740 -10.017 -11.243 1.00 30.43 C ATOM 82 CE LYS A 6 -8.976 -10.453 -12.014 1.00 72.51 C ATOM 83 NZ LYS A 6 -10.231 -10.122 -11.284 1.00 52.42 N ATOM 0 H LYS A 6 -4.986 -8.434 -12.469 1.00 4.11 H new ATOM 0 HA LYS A 6 -3.910 -11.174 -12.145 1.00 71.22 H new ATOM 0 HB2 LYS A 6 -6.536 -10.254 -13.382 1.00 11.31 H new ATOM 0 HB3 LYS A 6 -5.997 -11.915 -13.232 1.00 11.31 H new ATOM 0 HG2 LYS A 6 -6.996 -12.030 -11.232 1.00 2.52 H new ATOM 0 HG3 LYS A 6 -5.862 -10.845 -10.616 1.00 2.52 H new ATOM 0 HD2 LYS A 6 -7.990 -9.899 -10.189 1.00 30.43 H new ATOM 0 HD3 LYS A 6 -7.410 -9.043 -11.603 1.00 30.43 H new ATOM 0 HE2 LYS A 6 -8.985 -9.968 -12.990 1.00 72.51 H new ATOM 0 HE3 LYS A 6 -8.932 -11.527 -12.192 1.00 72.51 H new ATOM 0 HZ1 LYS A 6 -11.050 -10.435 -11.843 1.00 52.42 H new ATOM 0 HZ2 LYS A 6 -10.235 -10.605 -10.363 1.00 52.42 H new ATOM 0 HZ3 LYS A 6 -10.286 -9.094 -11.136 1.00 52.42 H new ATOM 97 N CYS A 7 -3.277 -11.449 -14.558 1.00 32.13 N ATOM 98 CA CYS A 7 -2.691 -11.502 -15.892 1.00 33.44 C ATOM 99 C CYS A 7 -3.174 -12.737 -16.649 1.00 5.54 C ATOM 100 O CYS A 7 -3.724 -13.666 -16.058 1.00 21.35 O ATOM 101 CB CYS A 7 -1.164 -11.511 -15.801 1.00 11.24 C ATOM 102 SG CYS A 7 -0.444 -13.162 -15.530 1.00 74.31 S ATOM 0 H CYS A 7 -3.130 -12.290 -14.000 1.00 32.13 H new ATOM 0 HA CYS A 7 -3.010 -10.614 -16.438 1.00 33.44 H new ATOM 0 HB2 CYS A 7 -0.754 -11.094 -16.721 1.00 11.24 H new ATOM 0 HB3 CYS A 7 -0.855 -10.854 -14.988 1.00 11.24 H new ATOM 107 N THR A 8 -2.963 -12.739 -17.961 1.00 43.22 N ATOM 108 CA THR A 8 -3.376 -13.857 -18.800 1.00 1.22 C ATOM 109 C THR A 8 -2.169 -14.583 -19.382 1.00 44.34 C ATOM 110 O THR A 8 -1.117 -13.982 -19.602 1.00 65.35 O ATOM 111 CB THR A 8 -4.285 -13.389 -19.952 1.00 44.02 C ATOM 112 OG1 THR A 8 -4.173 -11.971 -20.119 1.00 74.21 O ATOM 113 CG2 THR A 8 -5.735 -13.761 -19.683 1.00 1.11 C ATOM 0 H THR A 8 -2.508 -11.978 -18.466 1.00 43.22 H new ATOM 0 HA THR A 8 -3.935 -14.542 -18.162 1.00 1.22 H new ATOM 0 HB THR A 8 -3.963 -13.888 -20.866 1.00 44.02 H new ATOM 0 HG1 THR A 8 -4.753 -11.681 -20.854 1.00 74.21 H new ATOM 0 HG21 THR A 8 -6.358 -13.420 -20.510 1.00 1.11 H new ATOM 0 HG22 THR A 8 -5.821 -14.843 -19.586 1.00 1.11 H new ATOM 0 HG23 THR A 8 -6.067 -13.287 -18.760 1.00 1.11 H new ATOM 121 N LYS A 9 -2.327 -15.878 -19.631 1.00 65.32 N ATOM 122 CA LYS A 9 -1.250 -16.687 -20.191 1.00 31.23 C ATOM 123 C LYS A 9 -1.100 -16.433 -21.687 1.00 45.51 C ATOM 124 O LYS A 9 -0.032 -16.652 -22.259 1.00 71.44 O ATOM 125 CB LYS A 9 -1.518 -18.173 -19.940 1.00 4.02 C ATOM 126 CG LYS A 9 -2.588 -18.759 -20.844 1.00 63.53 C ATOM 127 CD LYS A 9 -2.748 -20.254 -20.621 1.00 53.05 C ATOM 128 CE LYS A 9 -1.537 -21.026 -21.123 1.00 54.41 C ATOM 129 NZ LYS A 9 -1.746 -22.498 -21.043 1.00 42.12 N ATOM 0 H LYS A 9 -3.191 -16.391 -19.454 1.00 65.32 H new ATOM 0 HA LYS A 9 -0.321 -16.402 -19.697 1.00 31.23 H new ATOM 0 HB2 LYS A 9 -0.591 -18.729 -20.080 1.00 4.02 H new ATOM 0 HB3 LYS A 9 -1.818 -18.309 -18.901 1.00 4.02 H new ATOM 0 HG2 LYS A 9 -3.538 -18.258 -20.657 1.00 63.53 H new ATOM 0 HG3 LYS A 9 -2.328 -18.571 -21.886 1.00 63.53 H new ATOM 0 HD2 LYS A 9 -2.891 -20.451 -19.559 1.00 53.05 H new ATOM 0 HD3 LYS A 9 -3.643 -20.606 -21.134 1.00 53.05 H new ATOM 0 HE2 LYS A 9 -1.329 -20.744 -22.155 1.00 54.41 H new ATOM 0 HE3 LYS A 9 -0.661 -20.751 -20.535 1.00 54.41 H new ATOM 0 HZ1 LYS A 9 -0.899 -22.989 -21.394 1.00 42.12 H new ATOM 0 HZ2 LYS A 9 -1.919 -22.771 -20.055 1.00 42.12 H new ATOM 0 HZ3 LYS A 9 -2.566 -22.764 -21.625 1.00 42.12 H new ATOM 143 N SER A 10 -2.175 -15.967 -22.315 1.00 4.43 N ATOM 144 CA SER A 10 -2.162 -15.684 -23.745 1.00 72.22 C ATOM 145 C SER A 10 -1.580 -14.301 -24.021 1.00 30.12 C ATOM 146 O SER A 10 -0.724 -14.136 -24.891 1.00 35.43 O ATOM 147 CB SER A 10 -3.578 -15.777 -24.317 1.00 71.23 C ATOM 148 OG SER A 10 -4.434 -14.820 -23.718 1.00 40.35 O ATOM 0 H SER A 10 -3.066 -15.778 -21.856 1.00 4.43 H new ATOM 0 HA SER A 10 -1.531 -16.428 -24.231 1.00 72.22 H new ATOM 0 HB2 SER A 10 -3.549 -15.619 -25.395 1.00 71.23 H new ATOM 0 HB3 SER A 10 -3.975 -16.779 -24.152 1.00 71.23 H new ATOM 0 HG SER A 10 -5.332 -14.899 -24.102 1.00 40.35 H new ATOM 154 N LYS A 11 -2.050 -13.309 -23.273 1.00 54.52 N ATOM 155 CA LYS A 11 -1.578 -11.939 -23.434 1.00 4.42 C ATOM 156 C LYS A 11 -0.352 -11.680 -22.563 1.00 71.41 C ATOM 157 O LYS A 11 0.361 -10.697 -22.755 1.00 51.51 O ATOM 158 CB LYS A 11 -2.688 -10.949 -23.076 1.00 14.31 C ATOM 159 CG LYS A 11 -2.535 -9.594 -23.746 1.00 72.32 C ATOM 160 CD LYS A 11 -3.664 -9.327 -24.728 1.00 65.33 C ATOM 161 CE LYS A 11 -3.416 -10.016 -26.062 1.00 12.31 C ATOM 162 NZ LYS A 11 -4.633 -10.016 -26.920 1.00 51.11 N ATOM 0 H LYS A 11 -2.758 -13.428 -22.549 1.00 54.52 H new ATOM 0 HA LYS A 11 -1.297 -11.799 -24.478 1.00 4.42 H new ATOM 0 HB2 LYS A 11 -3.650 -11.377 -23.357 1.00 14.31 H new ATOM 0 HB3 LYS A 11 -2.705 -10.810 -21.995 1.00 14.31 H new ATOM 0 HG2 LYS A 11 -2.519 -8.812 -22.987 1.00 72.32 H new ATOM 0 HG3 LYS A 11 -1.579 -9.551 -24.268 1.00 72.32 H new ATOM 0 HD2 LYS A 11 -4.606 -9.677 -24.306 1.00 65.33 H new ATOM 0 HD3 LYS A 11 -3.765 -8.253 -24.885 1.00 65.33 H new ATOM 0 HE2 LYS A 11 -2.603 -9.513 -26.585 1.00 12.31 H new ATOM 0 HE3 LYS A 11 -3.095 -11.043 -25.886 1.00 12.31 H new ATOM 0 HZ1 LYS A 11 -4.424 -10.494 -27.820 1.00 51.11 H new ATOM 0 HZ2 LYS A 11 -5.402 -10.518 -26.432 1.00 51.11 H new ATOM 0 HZ3 LYS A 11 -4.925 -9.036 -27.109 1.00 51.11 H new ATOM 176 N ASN A 12 -0.113 -12.572 -21.606 1.00 51.44 N ATOM 177 CA ASN A 12 1.027 -12.440 -20.707 1.00 3.11 C ATOM 178 C ASN A 12 1.112 -11.026 -20.139 1.00 62.34 C ATOM 179 O ASN A 12 2.202 -10.505 -19.906 1.00 64.44 O ATOM 180 CB ASN A 12 2.325 -12.786 -21.440 1.00 53.15 C ATOM 181 CG ASN A 12 3.479 -13.033 -20.488 1.00 71.35 C ATOM 182 OD1 ASN A 12 3.392 -12.732 -19.298 1.00 53.10 O ATOM 183 ND2 ASN A 12 4.568 -13.585 -21.010 1.00 44.34 N ATOM 0 H ASN A 12 -0.693 -13.393 -21.434 1.00 51.44 H new ATOM 0 HA ASN A 12 0.888 -13.137 -19.880 1.00 3.11 H new ATOM 0 HB2 ASN A 12 2.167 -13.673 -22.053 1.00 53.15 H new ATOM 0 HB3 ASN A 12 2.584 -11.972 -22.117 1.00 53.15 H new ATOM 0 HD21 ASN A 12 5.377 -13.776 -20.418 1.00 44.34 H new ATOM 0 HD22 ASN A 12 4.596 -13.818 -22.003 1.00 44.34 H new ATOM 190 N GLU A 13 -0.046 -10.412 -19.919 1.00 71.14 N ATOM 191 CA GLU A 13 -0.102 -9.059 -19.379 1.00 41.24 C ATOM 192 C GLU A 13 -0.999 -9.001 -18.147 1.00 33.45 C ATOM 193 O GLU A 13 -2.109 -9.536 -18.147 1.00 1.42 O ATOM 194 CB GLU A 13 -0.613 -8.083 -20.441 1.00 44.24 C ATOM 195 CG GLU A 13 -0.530 -6.626 -20.019 1.00 43.40 C ATOM 196 CD GLU A 13 -1.329 -5.709 -20.925 1.00 31.21 C ATOM 197 OE1 GLU A 13 -2.571 -5.684 -20.795 1.00 50.40 O ATOM 198 OE2 GLU A 13 -0.714 -5.018 -21.763 1.00 64.33 O ATOM 0 H GLU A 13 -0.957 -10.830 -20.106 1.00 71.14 H new ATOM 0 HA GLU A 13 0.908 -8.771 -19.086 1.00 41.24 H new ATOM 0 HB2 GLU A 13 -0.037 -8.221 -21.356 1.00 44.24 H new ATOM 0 HB3 GLU A 13 -1.649 -8.326 -20.677 1.00 44.24 H new ATOM 0 HG2 GLU A 13 -0.894 -6.527 -18.996 1.00 43.40 H new ATOM 0 HG3 GLU A 13 0.513 -6.311 -20.018 1.00 43.40 H new ATOM 205 N CYS A 14 -0.511 -8.350 -17.096 1.00 61.33 N ATOM 206 CA CYS A 14 -1.266 -8.223 -15.856 1.00 12.12 C ATOM 207 C CYS A 14 -2.041 -6.909 -15.823 1.00 53.25 C ATOM 208 O CYS A 14 -1.740 -5.978 -16.571 1.00 63.32 O ATOM 209 CB CYS A 14 -0.326 -8.303 -14.651 1.00 73.13 C ATOM 210 SG CYS A 14 -1.134 -8.849 -13.113 1.00 33.23 S ATOM 0 H CYS A 14 0.405 -7.902 -17.079 1.00 61.33 H new ATOM 0 HA CYS A 14 -1.978 -9.047 -15.808 1.00 12.12 H new ATOM 0 HB2 CYS A 14 0.489 -8.989 -14.884 1.00 73.13 H new ATOM 0 HB3 CYS A 14 0.120 -7.322 -14.486 1.00 73.13 H new ATOM 215 N LYS A 15 -3.042 -6.840 -14.952 1.00 4.23 N ATOM 216 CA LYS A 15 -3.860 -5.640 -14.819 1.00 32.50 C ATOM 217 C LYS A 15 -4.166 -5.350 -13.353 1.00 45.41 C ATOM 218 O LYS A 15 -4.731 -6.186 -12.649 1.00 74.30 O ATOM 219 CB LYS A 15 -5.166 -5.800 -15.601 1.00 21.20 C ATOM 220 CG LYS A 15 -6.199 -4.732 -15.285 1.00 23.20 C ATOM 221 CD LYS A 15 -5.726 -3.354 -15.717 1.00 70.20 C ATOM 222 CE LYS A 15 -6.685 -2.724 -16.716 1.00 4.14 C ATOM 223 NZ LYS A 15 -6.815 -3.543 -17.952 1.00 74.41 N ATOM 0 H LYS A 15 -3.307 -7.602 -14.327 1.00 4.23 H new ATOM 0 HA LYS A 15 -3.298 -4.800 -15.228 1.00 32.50 H new ATOM 0 HB2 LYS A 15 -4.946 -5.776 -16.668 1.00 21.20 H new ATOM 0 HB3 LYS A 15 -5.591 -6.780 -15.385 1.00 21.20 H new ATOM 0 HG2 LYS A 15 -7.136 -4.970 -15.788 1.00 23.20 H new ATOM 0 HG3 LYS A 15 -6.404 -4.728 -14.214 1.00 23.20 H new ATOM 0 HD2 LYS A 15 -5.634 -2.709 -14.843 1.00 70.20 H new ATOM 0 HD3 LYS A 15 -4.734 -3.431 -16.162 1.00 70.20 H new ATOM 0 HE2 LYS A 15 -7.665 -2.606 -16.254 1.00 4.14 H new ATOM 0 HE3 LYS A 15 -6.333 -1.726 -16.977 1.00 4.14 H new ATOM 0 HZ1 LYS A 15 -6.391 -3.033 -18.753 1.00 74.41 H new ATOM 0 HZ2 LYS A 15 -6.324 -4.450 -17.821 1.00 74.41 H new ATOM 0 HZ3 LYS A 15 -7.821 -3.719 -18.147 1.00 74.41 H new ATOM 237 N TYR A 16 -3.789 -4.159 -12.900 1.00 61.12 N ATOM 238 CA TYR A 16 -4.022 -3.759 -11.518 1.00 1.43 C ATOM 239 C TYR A 16 -4.421 -2.288 -11.436 1.00 64.22 C ATOM 240 O TYR A 16 -4.228 -1.526 -12.384 1.00 23.40 O ATOM 241 CB TYR A 16 -2.770 -4.006 -10.675 1.00 23.41 C ATOM 242 CG TYR A 16 -1.607 -3.111 -11.040 1.00 13.23 C ATOM 243 CD1 TYR A 16 -0.767 -3.427 -12.100 1.00 22.13 C ATOM 244 CD2 TYR A 16 -1.350 -1.947 -10.325 1.00 34.54 C ATOM 245 CE1 TYR A 16 0.297 -2.612 -12.436 1.00 33.12 C ATOM 246 CE2 TYR A 16 -0.290 -1.126 -10.654 1.00 50.45 C ATOM 247 CZ TYR A 16 0.531 -1.463 -11.710 1.00 51.55 C ATOM 248 OH TYR A 16 1.588 -0.647 -12.043 1.00 64.20 O ATOM 0 H TYR A 16 -3.321 -3.454 -13.470 1.00 61.12 H new ATOM 0 HA TYR A 16 -4.841 -4.362 -11.126 1.00 1.43 H new ATOM 0 HB2 TYR A 16 -3.015 -3.858 -9.623 1.00 23.41 H new ATOM 0 HB3 TYR A 16 -2.466 -5.047 -10.788 1.00 23.41 H new ATOM 0 HD1 TYR A 16 -0.949 -4.325 -12.671 1.00 22.13 H new ATOM 0 HD2 TYR A 16 -1.991 -1.680 -9.498 1.00 34.54 H new ATOM 0 HE1 TYR A 16 0.942 -2.873 -13.262 1.00 33.12 H new ATOM 0 HE2 TYR A 16 -0.105 -0.225 -10.088 1.00 50.45 H new ATOM 0 HH TYR A 16 1.613 0.121 -11.435 1.00 64.20 H new ATOM 258 N LYS A 17 -4.978 -1.896 -10.296 1.00 2.53 N ATOM 259 CA LYS A 17 -5.403 -0.517 -10.086 1.00 51.33 C ATOM 260 C LYS A 17 -4.391 0.241 -9.232 1.00 53.05 C ATOM 261 O LYS A 17 -4.035 -0.198 -8.140 1.00 14.23 O ATOM 262 CB LYS A 17 -6.779 -0.482 -9.417 1.00 41.31 C ATOM 263 CG LYS A 17 -7.932 -0.382 -10.401 1.00 64.52 C ATOM 264 CD LYS A 17 -9.275 -0.434 -9.693 1.00 51.43 C ATOM 265 CE LYS A 17 -10.395 -0.815 -10.650 1.00 1.44 C ATOM 266 NZ LYS A 17 -10.823 -2.229 -10.467 1.00 31.12 N ATOM 0 H LYS A 17 -5.146 -2.514 -9.502 1.00 2.53 H new ATOM 0 HA LYS A 17 -5.466 -0.031 -11.059 1.00 51.33 H new ATOM 0 HB2 LYS A 17 -6.904 -1.382 -8.815 1.00 41.31 H new ATOM 0 HB3 LYS A 17 -6.820 0.367 -8.734 1.00 41.31 H new ATOM 0 HG2 LYS A 17 -7.852 0.548 -10.963 1.00 64.52 H new ATOM 0 HG3 LYS A 17 -7.868 -1.197 -11.122 1.00 64.52 H new ATOM 0 HD2 LYS A 17 -9.230 -1.156 -8.878 1.00 51.43 H new ATOM 0 HD3 LYS A 17 -9.490 0.537 -9.247 1.00 51.43 H new ATOM 0 HE2 LYS A 17 -11.248 -0.154 -10.493 1.00 1.44 H new ATOM 0 HE3 LYS A 17 -10.062 -0.666 -11.677 1.00 1.44 H new ATOM 0 HZ1 LYS A 17 -11.587 -2.450 -11.137 1.00 31.12 H new ATOM 0 HZ2 LYS A 17 -10.016 -2.861 -10.642 1.00 31.12 H new ATOM 0 HZ3 LYS A 17 -11.165 -2.365 -9.494 1.00 31.12 H new ATOM 280 N ASN A 18 -3.933 1.382 -9.738 1.00 72.53 N ATOM 281 CA ASN A 18 -2.963 2.201 -9.021 1.00 20.41 C ATOM 282 C ASN A 18 -3.634 2.972 -7.889 1.00 10.52 C ATOM 283 O ASN A 18 -4.844 2.868 -7.684 1.00 44.45 O ATOM 284 CB ASN A 18 -2.278 3.175 -9.981 1.00 64.22 C ATOM 285 CG ASN A 18 -3.072 4.452 -10.174 1.00 74.11 C ATOM 286 OD1 ASN A 18 -2.638 5.533 -9.775 1.00 70.35 O ATOM 287 ND2 ASN A 18 -4.244 4.333 -10.788 1.00 21.51 N ATOM 0 H ASN A 18 -4.218 1.760 -10.641 1.00 72.53 H new ATOM 0 HA ASN A 18 -2.212 1.538 -8.590 1.00 20.41 H new ATOM 0 HB2 ASN A 18 -1.287 3.421 -9.599 1.00 64.22 H new ATOM 0 HB3 ASN A 18 -2.136 2.689 -10.946 1.00 64.22 H new ATOM 0 HD21 ASN A 18 -4.823 5.158 -10.945 1.00 21.51 H new ATOM 0 HD22 ASN A 18 -4.564 3.417 -11.102 1.00 21.51 H new ATOM 294 N ASP A 19 -2.841 3.747 -7.157 1.00 23.21 N ATOM 295 CA ASP A 19 -3.358 4.538 -6.046 1.00 45.12 C ATOM 296 C ASP A 19 -4.488 5.451 -6.510 1.00 14.25 C ATOM 297 O ASP A 19 -5.458 5.672 -5.784 1.00 45.31 O ATOM 298 CB ASP A 19 -2.237 5.370 -5.420 1.00 53.33 C ATOM 299 CG ASP A 19 -2.767 6.505 -4.565 1.00 72.34 C ATOM 300 OD1 ASP A 19 -3.553 6.229 -3.636 1.00 35.15 O ATOM 301 OD2 ASP A 19 -2.396 7.668 -4.827 1.00 13.41 O ATOM 0 H ASP A 19 -1.838 3.844 -7.313 1.00 23.21 H new ATOM 0 HA ASP A 19 -3.753 3.853 -5.296 1.00 45.12 H new ATOM 0 HB2 ASP A 19 -1.606 4.724 -4.810 1.00 53.33 H new ATOM 0 HB3 ASP A 19 -1.606 5.778 -6.210 1.00 53.33 H new ATOM 306 N ALA A 20 -4.356 5.980 -7.722 1.00 35.42 N ATOM 307 CA ALA A 20 -5.367 6.868 -8.282 1.00 73.11 C ATOM 308 C ALA A 20 -6.665 6.117 -8.560 1.00 31.14 C ATOM 309 O ALA A 20 -7.705 6.725 -8.808 1.00 10.54 O ATOM 310 CB ALA A 20 -4.850 7.520 -9.556 1.00 24.43 C ATOM 0 H ALA A 20 -3.559 5.809 -8.335 1.00 35.42 H new ATOM 0 HA ALA A 20 -5.578 7.646 -7.548 1.00 73.11 H new ATOM 0 HB1 ALA A 20 -5.616 8.180 -9.963 1.00 24.43 H new ATOM 0 HB2 ALA A 20 -3.954 8.098 -9.331 1.00 24.43 H new ATOM 0 HB3 ALA A 20 -4.610 6.749 -10.288 1.00 24.43 H new ATOM 316 N GLY A 21 -6.596 4.790 -8.517 1.00 34.42 N ATOM 317 CA GLY A 21 -7.773 3.978 -8.767 1.00 21.54 C ATOM 318 C GLY A 21 -7.923 3.609 -10.229 1.00 51.13 C ATOM 319 O GLY A 21 -8.656 2.681 -10.572 1.00 14.22 O ATOM 0 H GLY A 21 -5.747 4.263 -8.314 1.00 34.42 H new ATOM 0 HA2 GLY A 21 -7.716 3.068 -8.170 1.00 21.54 H new ATOM 0 HA3 GLY A 21 -8.660 4.519 -8.439 1.00 21.54 H new ATOM 323 N LYS A 22 -7.228 4.338 -11.096 1.00 13.32 N ATOM 324 CA LYS A 22 -7.287 4.085 -12.530 1.00 72.34 C ATOM 325 C LYS A 22 -6.726 2.706 -12.863 1.00 22.24 C ATOM 326 O LYS A 22 -5.657 2.328 -12.383 1.00 2.44 O ATOM 327 CB LYS A 22 -6.510 5.161 -13.292 1.00 24.42 C ATOM 328 CG LYS A 22 -6.978 6.575 -12.994 1.00 62.43 C ATOM 329 CD LYS A 22 -5.889 7.595 -13.281 1.00 64.40 C ATOM 330 CE LYS A 22 -6.419 9.017 -13.187 1.00 45.22 C ATOM 331 NZ LYS A 22 -5.353 10.024 -13.449 1.00 53.32 N ATOM 0 H LYS A 22 -6.617 5.110 -10.829 1.00 13.32 H new ATOM 0 HA LYS A 22 -8.333 4.116 -12.836 1.00 72.34 H new ATOM 0 HB2 LYS A 22 -5.452 5.078 -13.044 1.00 24.42 H new ATOM 0 HB3 LYS A 22 -6.602 4.975 -14.362 1.00 24.42 H new ATOM 0 HG2 LYS A 22 -7.858 6.802 -13.595 1.00 62.43 H new ATOM 0 HG3 LYS A 22 -7.279 6.647 -11.949 1.00 62.43 H new ATOM 0 HD2 LYS A 22 -5.070 7.463 -12.574 1.00 64.40 H new ATOM 0 HD3 LYS A 22 -5.481 7.423 -14.277 1.00 64.40 H new ATOM 0 HE2 LYS A 22 -7.229 9.151 -13.904 1.00 45.22 H new ATOM 0 HE3 LYS A 22 -6.840 9.183 -12.195 1.00 45.22 H new ATOM 0 HZ1 LYS A 22 -5.754 10.981 -13.376 1.00 53.32 H new ATOM 0 HZ2 LYS A 22 -4.591 9.913 -12.750 1.00 53.32 H new ATOM 0 HZ3 LYS A 22 -4.969 9.882 -14.405 1.00 53.32 H new ATOM 345 N ASP A 23 -7.452 1.959 -13.687 1.00 52.41 N ATOM 346 CA ASP A 23 -7.025 0.623 -14.086 1.00 10.25 C ATOM 347 C ASP A 23 -5.806 0.692 -15.000 1.00 4.55 C ATOM 348 O ASP A 23 -5.837 1.339 -16.047 1.00 61.24 O ATOM 349 CB ASP A 23 -8.166 -0.111 -14.792 1.00 11.24 C ATOM 350 CG ASP A 23 -8.497 0.495 -16.141 1.00 44.14 C ATOM 351 OD1 ASP A 23 -8.820 1.701 -16.188 1.00 22.21 O ATOM 352 OD2 ASP A 23 -8.431 -0.236 -17.151 1.00 54.05 O ATOM 0 H ASP A 23 -8.340 2.256 -14.092 1.00 52.41 H new ATOM 0 HA ASP A 23 -6.751 0.073 -13.186 1.00 10.25 H new ATOM 0 HB2 ASP A 23 -7.894 -1.158 -14.924 1.00 11.24 H new ATOM 0 HB3 ASP A 23 -9.054 -0.090 -14.160 1.00 11.24 H new ATOM 357 N THR A 24 -4.730 0.023 -14.595 1.00 75.14 N ATOM 358 CA THR A 24 -3.500 0.010 -15.376 1.00 41.11 C ATOM 359 C THR A 24 -3.048 -1.416 -15.667 1.00 73.43 C ATOM 360 O THR A 24 -3.020 -2.264 -14.775 1.00 1.35 O ATOM 361 CB THR A 24 -2.366 0.757 -14.649 1.00 42.34 C ATOM 362 OG1 THR A 24 -2.872 1.957 -14.054 1.00 53.23 O ATOM 363 CG2 THR A 24 -1.239 1.099 -15.612 1.00 40.34 C ATOM 0 H THR A 24 -4.686 -0.517 -13.731 1.00 75.14 H new ATOM 0 HA THR A 24 -3.717 0.518 -16.316 1.00 41.11 H new ATOM 0 HB THR A 24 -1.972 0.104 -13.870 1.00 42.34 H new ATOM 0 HG1 THR A 24 -2.145 2.425 -13.592 1.00 53.23 H new ATOM 0 HG21 THR A 24 -0.450 1.626 -15.076 1.00 40.34 H new ATOM 0 HG22 THR A 24 -0.836 0.182 -16.041 1.00 40.34 H new ATOM 0 HG23 THR A 24 -1.623 1.735 -16.410 1.00 40.34 H new ATOM 371 N PHE A 25 -2.695 -1.676 -16.922 1.00 1.21 N ATOM 372 CA PHE A 25 -2.244 -3.001 -17.331 1.00 34.02 C ATOM 373 C PHE A 25 -0.796 -2.959 -17.810 1.00 32.45 C ATOM 374 O PHE A 25 -0.419 -2.099 -18.606 1.00 32.21 O ATOM 375 CB PHE A 25 -3.145 -3.549 -18.440 1.00 65.20 C ATOM 376 CG PHE A 25 -3.414 -2.560 -19.537 1.00 52.52 C ATOM 377 CD1 PHE A 25 -4.446 -1.642 -19.422 1.00 42.40 C ATOM 378 CD2 PHE A 25 -2.636 -2.547 -20.683 1.00 41.44 C ATOM 379 CE1 PHE A 25 -4.696 -0.730 -20.431 1.00 34.55 C ATOM 380 CE2 PHE A 25 -2.882 -1.637 -21.695 1.00 65.41 C ATOM 381 CZ PHE A 25 -3.913 -0.728 -21.568 1.00 4.52 C ATOM 0 H PHE A 25 -2.713 -0.986 -17.673 1.00 1.21 H new ATOM 0 HA PHE A 25 -2.302 -3.661 -16.465 1.00 34.02 H new ATOM 0 HB2 PHE A 25 -2.681 -4.437 -18.868 1.00 65.20 H new ATOM 0 HB3 PHE A 25 -4.093 -3.863 -18.004 1.00 65.20 H new ATOM 0 HD1 PHE A 25 -5.062 -1.639 -18.535 1.00 42.40 H new ATOM 0 HD2 PHE A 25 -1.828 -3.256 -20.787 1.00 41.44 H new ATOM 0 HE1 PHE A 25 -5.503 -0.020 -20.330 1.00 34.55 H new ATOM 0 HE2 PHE A 25 -2.268 -1.638 -22.584 1.00 65.41 H new ATOM 0 HZ PHE A 25 -4.107 -0.016 -22.357 1.00 4.52 H new ATOM 391 N ILE A 26 0.010 -3.894 -17.318 1.00 2.01 N ATOM 392 CA ILE A 26 1.416 -3.965 -17.695 1.00 43.34 C ATOM 393 C ILE A 26 1.800 -5.377 -18.124 1.00 22.04 C ATOM 394 O ILE A 26 1.330 -6.361 -17.552 1.00 11.22 O ATOM 395 CB ILE A 26 2.333 -3.524 -16.539 1.00 33.25 C ATOM 396 CG1 ILE A 26 3.760 -3.306 -17.044 1.00 61.14 C ATOM 397 CG2 ILE A 26 2.312 -4.559 -15.423 1.00 43.13 C ATOM 398 CD1 ILE A 26 4.327 -1.950 -16.687 1.00 63.10 C ATOM 0 H ILE A 26 -0.287 -4.613 -16.658 1.00 2.01 H new ATOM 0 HA ILE A 26 1.552 -3.283 -18.535 1.00 43.34 H new ATOM 0 HB ILE A 26 1.962 -2.580 -16.140 1.00 33.25 H new ATOM 0 HG12 ILE A 26 4.405 -4.081 -16.630 1.00 61.14 H new ATOM 0 HG13 ILE A 26 3.775 -3.423 -18.128 1.00 61.14 H new ATOM 0 HG21 ILE A 26 2.965 -4.234 -14.613 1.00 43.13 H new ATOM 0 HG22 ILE A 26 1.295 -4.669 -15.048 1.00 43.13 H new ATOM 0 HG23 ILE A 26 2.662 -5.517 -15.808 1.00 43.13 H new ATOM 0 HD11 ILE A 26 5.341 -1.866 -17.077 1.00 63.10 H new ATOM 0 HD12 ILE A 26 3.704 -1.169 -17.123 1.00 63.10 H new ATOM 0 HD13 ILE A 26 4.344 -1.837 -15.603 1.00 63.10 H new ATOM 410 N LYS A 27 2.659 -5.470 -19.133 1.00 25.33 N ATOM 411 CA LYS A 27 3.111 -6.762 -19.637 1.00 53.21 C ATOM 412 C LYS A 27 3.970 -7.480 -18.602 1.00 31.33 C ATOM 413 O LYS A 27 4.667 -6.845 -17.810 1.00 64.21 O ATOM 414 CB LYS A 27 3.903 -6.578 -20.934 1.00 12.35 C ATOM 415 CG LYS A 27 4.938 -5.468 -20.862 1.00 33.34 C ATOM 416 CD LYS A 27 4.486 -4.234 -21.623 1.00 54.33 C ATOM 417 CE LYS A 27 5.554 -3.151 -21.614 1.00 14.34 C ATOM 418 NZ LYS A 27 5.606 -2.412 -22.906 1.00 23.23 N ATOM 0 H LYS A 27 3.057 -4.666 -19.618 1.00 25.33 H new ATOM 0 HA LYS A 27 2.231 -7.373 -19.839 1.00 53.21 H new ATOM 0 HB2 LYS A 27 4.403 -7.515 -21.180 1.00 12.35 H new ATOM 0 HB3 LYS A 27 3.209 -6.364 -21.747 1.00 12.35 H new ATOM 0 HG2 LYS A 27 5.121 -5.207 -19.820 1.00 33.34 H new ATOM 0 HG3 LYS A 27 5.883 -5.824 -21.272 1.00 33.34 H new ATOM 0 HD2 LYS A 27 4.251 -4.506 -22.652 1.00 54.33 H new ATOM 0 HD3 LYS A 27 3.570 -3.846 -21.178 1.00 54.33 H new ATOM 0 HE2 LYS A 27 5.354 -2.451 -20.803 1.00 14.34 H new ATOM 0 HE3 LYS A 27 6.526 -3.601 -21.414 1.00 14.34 H new ATOM 0 HZ1 LYS A 27 6.346 -1.683 -22.859 1.00 23.23 H new ATOM 0 HZ2 LYS A 27 5.822 -3.076 -23.677 1.00 23.23 H new ATOM 0 HZ3 LYS A 27 4.686 -1.961 -23.085 1.00 23.23 H new ATOM 432 N CYS A 28 3.916 -8.808 -18.613 1.00 43.04 N ATOM 433 CA CYS A 28 4.690 -9.613 -17.677 1.00 21.45 C ATOM 434 C CYS A 28 5.950 -10.161 -18.341 1.00 52.12 C ATOM 435 O CYS A 28 6.063 -10.212 -19.566 1.00 44.11 O ATOM 436 CB CYS A 28 3.840 -10.767 -17.141 1.00 23.43 C ATOM 437 SG CYS A 28 3.035 -10.419 -15.544 1.00 51.23 S ATOM 0 H CYS A 28 3.343 -9.349 -19.261 1.00 43.04 H new ATOM 0 HA CYS A 28 4.988 -8.973 -16.847 1.00 21.45 H new ATOM 0 HB2 CYS A 28 3.073 -11.011 -17.876 1.00 23.43 H new ATOM 0 HB3 CYS A 28 4.471 -11.649 -17.033 1.00 23.43 H new ATOM 442 N PRO A 29 6.920 -10.581 -17.515 1.00 53.13 N ATOM 443 CA PRO A 29 8.188 -11.133 -18.000 1.00 42.11 C ATOM 444 C PRO A 29 8.014 -12.501 -18.650 1.00 62.31 C ATOM 445 O PRO A 29 7.202 -13.313 -18.205 1.00 41.15 O ATOM 446 CB PRO A 29 9.034 -11.248 -16.729 1.00 75.32 C ATOM 447 CG PRO A 29 8.042 -11.368 -15.624 1.00 73.01 C ATOM 448 CD PRO A 29 6.852 -10.550 -16.045 1.00 3.33 C ATOM 0 HA PRO A 29 8.636 -10.507 -18.772 1.00 42.11 H new ATOM 0 HB2 PRO A 29 9.691 -12.117 -16.768 1.00 75.32 H new ATOM 0 HB3 PRO A 29 9.671 -10.373 -16.596 1.00 75.32 H new ATOM 0 HG2 PRO A 29 7.762 -12.409 -15.462 1.00 73.01 H new ATOM 0 HG3 PRO A 29 8.457 -11.000 -14.686 1.00 73.01 H new ATOM 0 HD2 PRO A 29 5.920 -10.978 -15.677 1.00 3.33 H new ATOM 0 HD3 PRO A 29 6.909 -9.531 -15.661 1.00 3.33 H new ATOM 456 N LYS A 30 8.782 -12.752 -19.705 1.00 41.11 N ATOM 457 CA LYS A 30 8.715 -14.023 -20.416 1.00 51.03 C ATOM 458 C LYS A 30 9.802 -14.976 -19.930 1.00 72.55 C ATOM 459 O LYS A 30 10.012 -16.042 -20.511 1.00 40.30 O ATOM 460 CB LYS A 30 8.857 -13.796 -21.923 1.00 41.11 C ATOM 461 CG LYS A 30 8.234 -14.896 -22.765 1.00 42.23 C ATOM 462 CD LYS A 30 6.852 -14.504 -23.260 1.00 33.43 C ATOM 463 CE LYS A 30 6.780 -14.514 -24.779 1.00 34.31 C ATOM 464 NZ LYS A 30 6.370 -15.845 -25.306 1.00 74.31 N ATOM 0 H LYS A 30 9.459 -12.091 -20.087 1.00 41.11 H new ATOM 0 HA LYS A 30 7.744 -14.474 -20.213 1.00 51.03 H new ATOM 0 HB2 LYS A 30 8.394 -12.844 -22.184 1.00 41.11 H new ATOM 0 HB3 LYS A 30 9.915 -13.715 -22.172 1.00 41.11 H new ATOM 0 HG2 LYS A 30 8.879 -15.113 -23.617 1.00 42.23 H new ATOM 0 HG3 LYS A 30 8.165 -15.811 -22.177 1.00 42.23 H new ATOM 0 HD2 LYS A 30 6.111 -15.193 -22.855 1.00 33.43 H new ATOM 0 HD3 LYS A 30 6.600 -13.510 -22.889 1.00 33.43 H new ATOM 0 HE2 LYS A 30 6.071 -13.757 -25.114 1.00 34.31 H new ATOM 0 HE3 LYS A 30 7.753 -14.244 -25.190 1.00 34.31 H new ATOM 0 HZ1 LYS A 30 6.333 -15.811 -26.345 1.00 74.31 H new ATOM 0 HZ2 LYS A 30 7.060 -16.564 -25.008 1.00 74.31 H new ATOM 0 HZ3 LYS A 30 5.431 -16.091 -24.934 1.00 74.31 H new ATOM 478 N PHE A 31 10.489 -14.588 -18.862 1.00 0.35 N ATOM 479 CA PHE A 31 11.554 -15.409 -18.297 1.00 41.43 C ATOM 480 C PHE A 31 10.978 -16.545 -17.458 1.00 21.21 C ATOM 481 O PHE A 31 9.897 -16.420 -16.883 1.00 33.22 O ATOM 482 CB PHE A 31 12.489 -14.551 -17.442 1.00 21.00 C ATOM 483 CG PHE A 31 13.526 -13.815 -18.241 1.00 63.22 C ATOM 484 CD1 PHE A 31 14.754 -14.398 -18.512 1.00 33.31 C ATOM 485 CD2 PHE A 31 13.274 -12.540 -18.721 1.00 61.22 C ATOM 486 CE1 PHE A 31 15.710 -13.724 -19.247 1.00 63.14 C ATOM 487 CE2 PHE A 31 14.227 -11.861 -19.458 1.00 34.45 C ATOM 488 CZ PHE A 31 15.447 -12.453 -19.720 1.00 34.51 C ATOM 0 H PHE A 31 10.328 -13.710 -18.369 1.00 0.35 H new ATOM 0 HA PHE A 31 12.121 -15.842 -19.121 1.00 41.43 H new ATOM 0 HB2 PHE A 31 11.895 -13.830 -16.881 1.00 21.00 H new ATOM 0 HB3 PHE A 31 12.989 -15.189 -16.713 1.00 21.00 H new ATOM 0 HD1 PHE A 31 14.966 -15.391 -18.144 1.00 33.31 H new ATOM 0 HD2 PHE A 31 12.323 -12.071 -18.517 1.00 61.22 H new ATOM 0 HE1 PHE A 31 16.662 -14.190 -19.452 1.00 63.14 H new ATOM 0 HE2 PHE A 31 14.017 -10.868 -19.828 1.00 34.45 H new ATOM 0 HZ PHE A 31 16.194 -11.924 -20.293 1.00 34.51 H new ATOM 498 N ASP A 32 11.708 -17.653 -17.393 1.00 71.33 N ATOM 499 CA ASP A 32 11.271 -18.813 -16.624 1.00 40.14 C ATOM 500 C ASP A 32 11.111 -18.458 -15.150 1.00 13.25 C ATOM 501 O ASP A 32 10.438 -19.165 -14.400 1.00 64.14 O ATOM 502 CB ASP A 32 12.270 -19.960 -16.780 1.00 21.51 C ATOM 503 CG ASP A 32 13.708 -19.498 -16.651 1.00 10.22 C ATOM 504 OD1 ASP A 32 14.173 -19.317 -15.506 1.00 10.22 O ATOM 505 OD2 ASP A 32 14.369 -19.317 -17.695 1.00 33.52 O ATOM 0 H ASP A 32 12.605 -17.773 -17.863 1.00 71.33 H new ATOM 0 HA ASP A 32 10.302 -19.130 -17.010 1.00 40.14 H new ATOM 0 HB2 ASP A 32 12.067 -20.720 -16.025 1.00 21.51 H new ATOM 0 HB3 ASP A 32 12.129 -20.431 -17.753 1.00 21.51 H new ATOM 510 N ASN A 33 11.734 -17.358 -14.740 1.00 1.13 N ATOM 511 CA ASN A 33 11.662 -16.910 -13.354 1.00 12.23 C ATOM 512 C ASN A 33 10.274 -16.367 -13.029 1.00 54.53 C ATOM 513 O ASN A 33 9.800 -16.477 -11.898 1.00 73.43 O ATOM 514 CB ASN A 33 12.717 -15.835 -13.088 1.00 4.42 C ATOM 515 CG ASN A 33 13.132 -15.779 -11.630 1.00 54.00 C ATOM 516 OD1 ASN A 33 13.544 -16.784 -11.052 1.00 20.45 O ATOM 517 ND2 ASN A 33 13.023 -14.600 -11.029 1.00 12.11 N ATOM 0 H ASN A 33 12.294 -16.760 -15.348 1.00 1.13 H new ATOM 0 HA ASN A 33 11.857 -17.768 -12.711 1.00 12.23 H new ATOM 0 HB2 ASN A 33 13.594 -16.030 -13.705 1.00 4.42 H new ATOM 0 HB3 ASN A 33 12.325 -14.863 -13.389 1.00 4.42 H new ATOM 0 HD21 ASN A 33 13.286 -14.501 -10.048 1.00 12.11 H new ATOM 0 HD22 ASN A 33 12.676 -13.793 -11.548 1.00 12.11 H new ATOM 524 N LYS A 34 9.626 -15.779 -14.030 1.00 35.15 N ATOM 525 CA LYS A 34 8.291 -15.220 -13.853 1.00 53.32 C ATOM 526 C LYS A 34 7.551 -15.146 -15.185 1.00 63.03 C ATOM 527 O LYS A 34 8.048 -14.568 -16.152 1.00 65.32 O ATOM 528 CB LYS A 34 8.378 -13.825 -13.228 1.00 61.45 C ATOM 529 CG LYS A 34 8.442 -13.842 -11.711 1.00 43.31 C ATOM 530 CD LYS A 34 9.811 -13.416 -11.206 1.00 53.22 C ATOM 531 CE LYS A 34 9.919 -11.903 -11.098 1.00 52.53 C ATOM 532 NZ LYS A 34 10.883 -11.489 -10.042 1.00 25.32 N ATOM 0 H LYS A 34 10.004 -15.678 -14.972 1.00 35.15 H new ATOM 0 HA LYS A 34 7.735 -15.877 -13.184 1.00 53.32 H new ATOM 0 HB2 LYS A 34 9.261 -13.317 -13.615 1.00 61.45 H new ATOM 0 HB3 LYS A 34 7.512 -13.241 -13.540 1.00 61.45 H new ATOM 0 HG2 LYS A 34 7.680 -13.176 -11.306 1.00 43.31 H new ATOM 0 HG3 LYS A 34 8.215 -14.844 -11.347 1.00 43.31 H new ATOM 0 HD2 LYS A 34 9.996 -13.866 -10.230 1.00 53.22 H new ATOM 0 HD3 LYS A 34 10.581 -13.790 -11.881 1.00 53.22 H new ATOM 0 HE2 LYS A 34 10.233 -11.492 -12.057 1.00 52.53 H new ATOM 0 HE3 LYS A 34 8.937 -11.484 -10.878 1.00 52.53 H new ATOM 0 HZ1 LYS A 34 10.928 -10.451 -10.000 1.00 25.32 H new ATOM 0 HZ2 LYS A 34 10.570 -11.859 -9.122 1.00 25.32 H new ATOM 0 HZ3 LYS A 34 11.826 -11.867 -10.265 1.00 25.32 H new ATOM 546 N LYS A 35 6.360 -15.734 -15.229 1.00 43.51 N ATOM 547 CA LYS A 35 5.550 -15.733 -16.441 1.00 42.54 C ATOM 548 C LYS A 35 4.120 -16.171 -16.141 1.00 4.54 C ATOM 549 O LYS A 35 3.827 -16.660 -15.049 1.00 54.44 O ATOM 550 CB LYS A 35 6.168 -16.657 -17.493 1.00 33.32 C ATOM 551 CG LYS A 35 5.958 -18.133 -17.203 1.00 73.41 C ATOM 552 CD LYS A 35 6.521 -19.005 -18.313 1.00 30.10 C ATOM 553 CE LYS A 35 7.836 -19.649 -17.903 1.00 23.35 C ATOM 554 NZ LYS A 35 7.958 -21.040 -18.420 1.00 32.41 N ATOM 0 H LYS A 35 5.934 -16.218 -14.438 1.00 43.51 H new ATOM 0 HA LYS A 35 5.525 -14.715 -16.830 1.00 42.54 H new ATOM 0 HB2 LYS A 35 5.740 -16.422 -18.468 1.00 33.32 H new ATOM 0 HB3 LYS A 35 7.237 -16.456 -17.558 1.00 33.32 H new ATOM 0 HG2 LYS A 35 6.437 -18.391 -16.258 1.00 73.41 H new ATOM 0 HG3 LYS A 35 4.893 -18.334 -17.086 1.00 73.41 H new ATOM 0 HD2 LYS A 35 5.799 -19.781 -18.569 1.00 30.10 H new ATOM 0 HD3 LYS A 35 6.673 -18.403 -19.209 1.00 30.10 H new ATOM 0 HE2 LYS A 35 8.666 -19.049 -18.276 1.00 23.35 H new ATOM 0 HE3 LYS A 35 7.912 -19.658 -16.816 1.00 23.35 H new ATOM 0 HZ1 LYS A 35 8.868 -21.444 -18.119 1.00 32.41 H new ATOM 0 HZ2 LYS A 35 7.181 -21.620 -18.044 1.00 32.41 H new ATOM 0 HZ3 LYS A 35 7.911 -21.030 -19.459 1.00 32.41 H new ATOM 568 N CYS A 36 3.235 -15.993 -17.115 1.00 73.22 N ATOM 569 CA CYS A 36 1.836 -16.371 -16.956 1.00 13.11 C ATOM 570 C CYS A 36 1.564 -17.731 -17.591 1.00 73.33 C ATOM 571 O CYS A 36 1.699 -17.902 -18.803 1.00 41.25 O ATOM 572 CB CYS A 36 0.925 -15.312 -17.582 1.00 25.23 C ATOM 573 SG CYS A 36 0.963 -13.702 -16.730 1.00 73.22 S ATOM 0 H CYS A 36 3.462 -15.589 -18.024 1.00 73.22 H new ATOM 0 HA CYS A 36 1.623 -16.439 -15.889 1.00 13.11 H new ATOM 0 HB2 CYS A 36 1.215 -15.167 -18.623 1.00 25.23 H new ATOM 0 HB3 CYS A 36 -0.099 -15.685 -17.586 1.00 25.23 H new ATOM 578 N THR A 37 1.179 -18.698 -16.764 1.00 73.42 N ATOM 579 CA THR A 37 0.888 -20.044 -17.244 1.00 3.33 C ATOM 580 C THR A 37 -0.613 -20.262 -17.393 1.00 61.03 C ATOM 581 O THR A 37 -1.059 -21.002 -18.270 1.00 51.25 O ATOM 582 CB THR A 37 1.459 -21.114 -16.294 1.00 42.13 C ATOM 583 OG1 THR A 37 1.222 -20.738 -14.933 1.00 41.11 O ATOM 584 CG2 THR A 37 2.952 -21.299 -16.522 1.00 51.41 C ATOM 0 H THR A 37 1.061 -18.574 -15.758 1.00 73.42 H new ATOM 0 HA THR A 37 1.365 -20.142 -18.219 1.00 3.33 H new ATOM 0 HB THR A 37 0.956 -22.058 -16.502 1.00 42.13 H new ATOM 0 HG1 THR A 37 1.587 -21.424 -14.336 1.00 41.11 H new ATOM 0 HG21 THR A 37 3.333 -22.059 -15.840 1.00 51.41 H new ATOM 0 HG22 THR A 37 3.127 -21.614 -17.551 1.00 51.41 H new ATOM 0 HG23 THR A 37 3.468 -20.356 -16.339 1.00 51.41 H new ATOM 592 N LYS A 38 -1.389 -19.613 -16.532 1.00 31.21 N ATOM 593 CA LYS A 38 -2.842 -19.734 -16.569 1.00 23.33 C ATOM 594 C LYS A 38 -3.497 -18.369 -16.752 1.00 21.11 C ATOM 595 O LYS A 38 -2.991 -17.357 -16.267 1.00 21.01 O ATOM 596 CB LYS A 38 -3.352 -20.388 -15.283 1.00 33.32 C ATOM 597 CG LYS A 38 -4.672 -21.120 -15.455 1.00 71.11 C ATOM 598 CD LYS A 38 -5.333 -21.400 -14.116 1.00 72.51 C ATOM 599 CE LYS A 38 -5.125 -22.844 -13.683 1.00 41.40 C ATOM 600 NZ LYS A 38 -6.340 -23.409 -13.034 1.00 11.33 N ATOM 0 H LYS A 38 -1.036 -18.997 -15.799 1.00 31.21 H new ATOM 0 HA LYS A 38 -3.108 -20.362 -17.419 1.00 23.33 H new ATOM 0 HB2 LYS A 38 -2.601 -21.090 -14.920 1.00 33.32 H new ATOM 0 HB3 LYS A 38 -3.468 -19.621 -14.517 1.00 33.32 H new ATOM 0 HG2 LYS A 38 -5.342 -20.524 -16.075 1.00 71.11 H new ATOM 0 HG3 LYS A 38 -4.502 -22.059 -15.981 1.00 71.11 H new ATOM 0 HD2 LYS A 38 -4.924 -20.730 -13.360 1.00 72.51 H new ATOM 0 HD3 LYS A 38 -6.400 -21.190 -14.185 1.00 72.51 H new ATOM 0 HE2 LYS A 38 -4.862 -23.449 -14.551 1.00 41.40 H new ATOM 0 HE3 LYS A 38 -4.285 -22.898 -12.991 1.00 41.40 H new ATOM 0 HZ1 LYS A 38 -6.158 -24.394 -12.754 1.00 11.33 H new ATOM 0 HZ2 LYS A 38 -6.577 -22.847 -12.191 1.00 11.33 H new ATOM 0 HZ3 LYS A 38 -7.136 -23.381 -13.703 1.00 11.33 H new ATOM 614 N ASP A 39 -4.625 -18.349 -17.453 1.00 50.11 N ATOM 615 CA ASP A 39 -5.351 -17.108 -17.698 1.00 20.00 C ATOM 616 C ASP A 39 -6.035 -16.618 -16.425 1.00 64.23 C ATOM 617 O ASP A 39 -6.401 -17.413 -15.561 1.00 2.14 O ATOM 618 CB ASP A 39 -6.388 -17.309 -18.804 1.00 12.30 C ATOM 619 CG ASP A 39 -5.770 -17.285 -20.188 1.00 54.53 C ATOM 620 OD1 ASP A 39 -4.897 -16.426 -20.434 1.00 24.44 O ATOM 621 OD2 ASP A 39 -6.160 -18.124 -21.026 1.00 72.31 O ATOM 0 H ASP A 39 -5.057 -19.178 -17.862 1.00 50.11 H new ATOM 0 HA ASP A 39 -4.633 -16.353 -18.017 1.00 20.00 H new ATOM 0 HB2 ASP A 39 -6.896 -18.261 -18.653 1.00 12.30 H new ATOM 0 HB3 ASP A 39 -7.146 -16.529 -18.734 1.00 12.30 H new ATOM 626 N ASN A 40 -6.202 -15.304 -16.318 1.00 30.13 N ATOM 627 CA ASN A 40 -6.840 -14.708 -15.150 1.00 12.13 C ATOM 628 C ASN A 40 -6.007 -14.946 -13.894 1.00 1.50 C ATOM 629 O ASN A 40 -6.506 -14.832 -12.775 1.00 63.22 O ATOM 630 CB ASN A 40 -8.245 -15.285 -14.960 1.00 4.40 C ATOM 631 CG ASN A 40 -9.214 -14.269 -14.386 1.00 61.14 C ATOM 632 OD1 ASN A 40 -10.076 -13.748 -15.095 1.00 22.25 O ATOM 633 ND2 ASN A 40 -9.076 -13.983 -13.097 1.00 14.11 N ATOM 0 H ASN A 40 -5.905 -14.632 -17.025 1.00 30.13 H new ATOM 0 HA ASN A 40 -6.915 -13.633 -15.317 1.00 12.13 H new ATOM 0 HB2 ASN A 40 -8.622 -15.641 -15.919 1.00 4.40 H new ATOM 0 HB3 ASN A 40 -8.194 -16.149 -14.297 1.00 4.40 H new ATOM 0 HD21 ASN A 40 -9.699 -13.307 -12.655 1.00 14.11 H new ATOM 0 HD22 ASN A 40 -8.347 -14.440 -12.548 1.00 14.11 H new ATOM 640 N ASN A 41 -4.734 -15.275 -14.089 1.00 31.24 N ATOM 641 CA ASN A 41 -3.831 -15.529 -12.972 1.00 42.20 C ATOM 642 C ASN A 41 -3.739 -14.310 -12.059 1.00 44.22 C ATOM 643 O ASN A 41 -4.483 -13.342 -12.220 1.00 21.24 O ATOM 644 CB ASN A 41 -2.439 -15.899 -13.489 1.00 32.43 C ATOM 645 CG ASN A 41 -2.106 -17.360 -13.254 1.00 64.14 C ATOM 646 OD1 ASN A 41 -2.621 -17.985 -12.328 1.00 35.23 O ATOM 647 ND2 ASN A 41 -1.238 -17.911 -14.096 1.00 34.13 N ATOM 0 H ASN A 41 -4.305 -15.372 -15.009 1.00 31.24 H new ATOM 0 HA ASN A 41 -4.231 -16.363 -12.396 1.00 42.20 H new ATOM 0 HB2 ASN A 41 -2.381 -15.683 -14.556 1.00 32.43 H new ATOM 0 HB3 ASN A 41 -1.693 -15.275 -12.996 1.00 32.43 H new ATOM 0 HD21 ASN A 41 -0.974 -18.890 -13.988 1.00 34.13 H new ATOM 0 HD22 ASN A 41 -0.836 -17.355 -14.850 1.00 34.13 H new ATOM 654 N LYS A 42 -2.820 -14.363 -11.101 1.00 64.21 N ATOM 655 CA LYS A 42 -2.627 -13.264 -10.163 1.00 11.22 C ATOM 656 C LYS A 42 -1.158 -12.859 -10.093 1.00 30.21 C ATOM 657 O LYS A 42 -0.266 -13.706 -10.161 1.00 14.14 O ATOM 658 CB LYS A 42 -3.125 -13.661 -8.771 1.00 45.11 C ATOM 659 CG LYS A 42 -4.034 -12.626 -8.132 1.00 52.21 C ATOM 660 CD LYS A 42 -5.445 -12.702 -8.691 1.00 70.32 C ATOM 661 CE LYS A 42 -6.135 -13.997 -8.289 1.00 3.24 C ATOM 662 NZ LYS A 42 -7.485 -13.750 -7.712 1.00 11.33 N ATOM 0 H LYS A 42 -2.196 -15.157 -10.954 1.00 64.21 H new ATOM 0 HA LYS A 42 -3.204 -12.410 -10.519 1.00 11.22 H new ATOM 0 HB2 LYS A 42 -3.660 -14.608 -8.842 1.00 45.11 H new ATOM 0 HB3 LYS A 42 -2.266 -13.829 -8.121 1.00 45.11 H new ATOM 0 HG2 LYS A 42 -4.060 -12.780 -7.053 1.00 52.21 H new ATOM 0 HG3 LYS A 42 -3.628 -11.629 -8.302 1.00 52.21 H new ATOM 0 HD2 LYS A 42 -6.026 -11.852 -8.332 1.00 70.32 H new ATOM 0 HD3 LYS A 42 -5.411 -12.629 -9.778 1.00 70.32 H new ATOM 0 HE2 LYS A 42 -6.226 -14.646 -9.160 1.00 3.24 H new ATOM 0 HE3 LYS A 42 -5.520 -14.525 -7.561 1.00 3.24 H new ATOM 0 HZ1 LYS A 42 -7.922 -14.657 -7.451 1.00 11.33 H new ATOM 0 HZ2 LYS A 42 -7.397 -13.152 -6.866 1.00 11.33 H new ATOM 0 HZ3 LYS A 42 -8.081 -13.269 -8.416 1.00 11.33 H new ATOM 676 N CYS A 43 -0.913 -11.561 -9.955 1.00 44.55 N ATOM 677 CA CYS A 43 0.448 -11.043 -9.875 1.00 70.20 C ATOM 678 C CYS A 43 0.572 -10.010 -8.758 1.00 61.54 C ATOM 679 O CYS A 43 -0.409 -9.676 -8.094 1.00 34.11 O ATOM 680 CB CYS A 43 0.858 -10.419 -11.210 1.00 43.21 C ATOM 681 SG CYS A 43 0.041 -8.832 -11.571 1.00 55.51 S ATOM 0 H CYS A 43 -1.640 -10.847 -9.896 1.00 44.55 H new ATOM 0 HA CYS A 43 1.115 -11.876 -9.651 1.00 70.20 H new ATOM 0 HB2 CYS A 43 1.938 -10.268 -11.212 1.00 43.21 H new ATOM 0 HB3 CYS A 43 0.633 -11.122 -12.012 1.00 43.21 H new ATOM 686 N THR A 44 1.786 -9.508 -8.557 1.00 43.42 N ATOM 687 CA THR A 44 2.040 -8.514 -7.522 1.00 20.14 C ATOM 688 C THR A 44 2.997 -7.436 -8.017 1.00 1.22 C ATOM 689 O THR A 44 3.919 -7.714 -8.784 1.00 74.21 O ATOM 690 CB THR A 44 2.627 -9.162 -6.253 1.00 54.02 C ATOM 691 OG1 THR A 44 3.193 -10.438 -6.572 1.00 11.11 O ATOM 692 CG2 THR A 44 1.555 -9.329 -5.186 1.00 64.21 C ATOM 0 H THR A 44 2.609 -9.774 -9.098 1.00 43.42 H new ATOM 0 HA THR A 44 1.080 -8.059 -7.279 1.00 20.14 H new ATOM 0 HB THR A 44 3.406 -8.507 -5.863 1.00 54.02 H new ATOM 0 HG1 THR A 44 3.565 -10.843 -5.761 1.00 11.11 H new ATOM 0 HG21 THR A 44 1.992 -9.788 -4.300 1.00 64.21 H new ATOM 0 HG22 THR A 44 1.146 -8.353 -4.925 1.00 64.21 H new ATOM 0 HG23 THR A 44 0.757 -9.966 -5.568 1.00 64.21 H new ATOM 700 N VAL A 45 2.773 -6.203 -7.573 1.00 24.15 N ATOM 701 CA VAL A 45 3.618 -5.083 -7.969 1.00 54.54 C ATOM 702 C VAL A 45 3.721 -4.050 -6.853 1.00 2.05 C ATOM 703 O VAL A 45 2.710 -3.549 -6.360 1.00 71.33 O ATOM 704 CB VAL A 45 3.080 -4.397 -9.239 1.00 52.23 C ATOM 705 CG1 VAL A 45 3.945 -3.201 -9.608 1.00 15.13 C ATOM 706 CG2 VAL A 45 3.009 -5.389 -10.391 1.00 11.45 C ATOM 0 H VAL A 45 2.013 -5.955 -6.939 1.00 24.15 H new ATOM 0 HA VAL A 45 4.608 -5.491 -8.175 1.00 54.54 H new ATOM 0 HB VAL A 45 2.071 -4.037 -9.036 1.00 52.23 H new ATOM 0 HG11 VAL A 45 3.549 -2.729 -10.508 1.00 15.13 H new ATOM 0 HG12 VAL A 45 3.940 -2.482 -8.789 1.00 15.13 H new ATOM 0 HG13 VAL A 45 4.966 -3.534 -9.792 1.00 15.13 H new ATOM 0 HG21 VAL A 45 2.627 -4.887 -11.280 1.00 11.45 H new ATOM 0 HG22 VAL A 45 4.005 -5.781 -10.596 1.00 11.45 H new ATOM 0 HG23 VAL A 45 2.344 -6.210 -10.124 1.00 11.45 H new ATOM 716 N ASP A 46 4.950 -3.735 -6.457 1.00 71.44 N ATOM 717 CA ASP A 46 5.187 -2.761 -5.399 1.00 54.50 C ATOM 718 C ASP A 46 6.062 -1.616 -5.900 1.00 63.41 C ATOM 719 O ASP A 46 7.108 -1.841 -6.510 1.00 24.20 O ATOM 720 CB ASP A 46 5.846 -3.434 -4.194 1.00 53.12 C ATOM 721 CG ASP A 46 5.582 -2.691 -2.899 1.00 53.35 C ATOM 722 OD1 ASP A 46 5.563 -1.442 -2.925 1.00 23.02 O ATOM 723 OD2 ASP A 46 5.393 -3.358 -1.861 1.00 54.40 O ATOM 0 H ASP A 46 5.798 -4.141 -6.854 1.00 71.44 H new ATOM 0 HA ASP A 46 4.224 -2.352 -5.094 1.00 54.50 H new ATOM 0 HB2 ASP A 46 5.476 -4.456 -4.105 1.00 53.12 H new ATOM 0 HB3 ASP A 46 6.921 -3.497 -4.360 1.00 53.12 H new ATOM 728 N THR A 47 5.628 -0.387 -5.640 1.00 33.23 N ATOM 729 CA THR A 47 6.370 0.792 -6.066 1.00 1.32 C ATOM 730 C THR A 47 7.444 1.163 -5.049 1.00 71.14 C ATOM 731 O THR A 47 8.368 1.916 -5.355 1.00 45.43 O ATOM 732 CB THR A 47 5.436 2.000 -6.272 1.00 62.33 C ATOM 733 OG1 THR A 47 4.075 1.607 -6.064 1.00 11.54 O ATOM 734 CG2 THR A 47 5.595 2.573 -7.672 1.00 50.52 C ATOM 0 H THR A 47 4.765 -0.182 -5.136 1.00 33.23 H new ATOM 0 HA THR A 47 6.843 0.541 -7.016 1.00 1.32 H new ATOM 0 HB THR A 47 5.707 2.769 -5.548 1.00 62.33 H new ATOM 0 HG1 THR A 47 3.488 2.380 -6.195 1.00 11.54 H new ATOM 0 HG21 THR A 47 4.926 3.425 -7.795 1.00 50.52 H new ATOM 0 HG22 THR A 47 6.625 2.897 -7.818 1.00 50.52 H new ATOM 0 HG23 THR A 47 5.348 1.808 -8.408 1.00 50.52 H new ATOM 742 N TYR A 48 7.316 0.629 -3.840 1.00 24.11 N ATOM 743 CA TYR A 48 8.276 0.905 -2.777 1.00 52.33 C ATOM 744 C TYR A 48 9.478 -0.029 -2.872 1.00 61.02 C ATOM 745 O TYR A 48 10.619 0.388 -2.679 1.00 1.23 O ATOM 746 CB TYR A 48 7.609 0.759 -1.409 1.00 31.25 C ATOM 747 CG TYR A 48 7.369 2.077 -0.708 1.00 33.12 C ATOM 748 CD1 TYR A 48 6.323 2.908 -1.088 1.00 55.21 C ATOM 749 CD2 TYR A 48 8.188 2.491 0.336 1.00 71.53 C ATOM 750 CE1 TYR A 48 6.100 4.114 -0.451 1.00 61.41 C ATOM 751 CE2 TYR A 48 7.972 3.694 0.979 1.00 30.35 C ATOM 752 CZ TYR A 48 6.927 4.502 0.582 1.00 23.21 C ATOM 753 OH TYR A 48 6.708 5.701 1.220 1.00 1.21 O ATOM 0 H TYR A 48 6.557 0.003 -3.571 1.00 24.11 H new ATOM 0 HA TYR A 48 8.626 1.930 -2.896 1.00 52.33 H new ATOM 0 HB2 TYR A 48 6.656 0.244 -1.532 1.00 31.25 H new ATOM 0 HB3 TYR A 48 8.233 0.129 -0.775 1.00 31.25 H new ATOM 0 HD1 TYR A 48 5.672 2.606 -1.896 1.00 55.21 H new ATOM 0 HD2 TYR A 48 9.007 1.861 0.650 1.00 71.53 H new ATOM 0 HE1 TYR A 48 5.283 4.749 -0.760 1.00 61.41 H new ATOM 0 HE2 TYR A 48 8.618 4.000 1.788 1.00 30.35 H new ATOM 0 HH TYR A 48 7.378 5.824 1.925 1.00 1.21 H new ATOM 763 N ASN A 49 9.212 -1.296 -3.173 1.00 23.14 N ATOM 764 CA ASN A 49 10.271 -2.291 -3.294 1.00 25.31 C ATOM 765 C ASN A 49 10.565 -2.598 -4.759 1.00 52.34 C ATOM 766 O ASN A 49 11.497 -3.336 -5.075 1.00 50.31 O ATOM 767 CB ASN A 49 9.879 -3.576 -2.561 1.00 41.03 C ATOM 768 CG ASN A 49 9.424 -3.314 -1.139 1.00 32.24 C ATOM 769 OD1 ASN A 49 10.027 -2.518 -0.419 1.00 32.34 O ATOM 770 ND2 ASN A 49 8.354 -3.985 -0.727 1.00 24.31 N ATOM 0 H ASN A 49 8.273 -1.658 -3.337 1.00 23.14 H new ATOM 0 HA ASN A 49 11.173 -1.882 -2.839 1.00 25.31 H new ATOM 0 HB2 ASN A 49 9.080 -4.074 -3.109 1.00 41.03 H new ATOM 0 HB3 ASN A 49 10.730 -4.257 -2.548 1.00 41.03 H new ATOM 0 HD21 ASN A 49 8.001 -3.850 0.220 1.00 24.31 H new ATOM 0 HD22 ASN A 49 7.885 -4.635 -1.358 1.00 24.31 H new ATOM 777 N ASN A 50 9.762 -2.025 -5.650 1.00 40.52 N ATOM 778 CA ASN A 50 9.935 -2.236 -7.083 1.00 23.12 C ATOM 779 C ASN A 50 9.988 -3.725 -7.410 1.00 72.23 C ATOM 780 O ASN A 50 10.578 -4.130 -8.411 1.00 73.54 O ATOM 781 CB ASN A 50 11.213 -1.550 -7.570 1.00 1.11 C ATOM 782 CG ASN A 50 11.111 -1.094 -9.013 1.00 14.04 C ATOM 783 OD1 ASN A 50 10.054 -1.202 -9.636 1.00 4.22 O ATOM 784 ND2 ASN A 50 12.211 -0.581 -9.551 1.00 23.45 N ATOM 0 H ASN A 50 8.985 -1.411 -5.405 1.00 40.52 H new ATOM 0 HA ASN A 50 9.078 -1.799 -7.596 1.00 23.12 H new ATOM 0 HB2 ASN A 50 11.425 -0.690 -6.934 1.00 1.11 H new ATOM 0 HB3 ASN A 50 12.053 -2.237 -7.468 1.00 1.11 H new ATOM 0 HD21 ASN A 50 12.202 -0.257 -10.518 1.00 23.45 H new ATOM 0 HD22 ASN A 50 13.065 -0.511 -8.997 1.00 23.45 H new ATOM 791 N ALA A 51 9.366 -4.535 -6.559 1.00 42.13 N ATOM 792 CA ALA A 51 9.340 -5.979 -6.759 1.00 54.53 C ATOM 793 C ALA A 51 8.044 -6.415 -7.434 1.00 72.50 C ATOM 794 O ALA A 51 6.950 -6.117 -6.953 1.00 44.14 O ATOM 795 CB ALA A 51 9.514 -6.699 -5.430 1.00 51.34 C ATOM 0 H ALA A 51 8.874 -4.216 -5.725 1.00 42.13 H new ATOM 0 HA ALA A 51 10.169 -6.246 -7.415 1.00 54.53 H new ATOM 0 HB1 ALA A 51 9.493 -7.776 -5.594 1.00 51.34 H new ATOM 0 HB2 ALA A 51 10.469 -6.418 -4.987 1.00 51.34 H new ATOM 0 HB3 ALA A 51 8.705 -6.419 -4.756 1.00 51.34 H new ATOM 801 N VAL A 52 8.173 -7.124 -8.551 1.00 44.03 N ATOM 802 CA VAL A 52 7.012 -7.603 -9.292 1.00 44.51 C ATOM 803 C VAL A 52 7.055 -9.117 -9.463 1.00 2.14 C ATOM 804 O VAL A 52 8.115 -9.695 -9.703 1.00 61.02 O ATOM 805 CB VAL A 52 6.922 -6.943 -10.681 1.00 51.10 C ATOM 806 CG1 VAL A 52 8.286 -6.925 -11.354 1.00 31.41 C ATOM 807 CG2 VAL A 52 5.900 -7.664 -11.547 1.00 41.22 C ATOM 0 H VAL A 52 9.070 -7.380 -8.963 1.00 44.03 H new ATOM 0 HA VAL A 52 6.131 -7.331 -8.710 1.00 44.51 H new ATOM 0 HB VAL A 52 6.594 -5.911 -10.554 1.00 51.10 H new ATOM 0 HG11 VAL A 52 8.202 -6.455 -12.334 1.00 31.41 H new ATOM 0 HG12 VAL A 52 8.987 -6.360 -10.740 1.00 31.41 H new ATOM 0 HG13 VAL A 52 8.647 -7.947 -11.471 1.00 31.41 H new ATOM 0 HG21 VAL A 52 5.849 -7.185 -12.525 1.00 41.22 H new ATOM 0 HG22 VAL A 52 6.196 -8.706 -11.668 1.00 41.22 H new ATOM 0 HG23 VAL A 52 4.921 -7.618 -11.069 1.00 41.22 H new ATOM 817 N ASP A 53 5.896 -9.754 -9.337 1.00 2.31 N ATOM 818 CA ASP A 53 5.800 -11.202 -9.479 1.00 2.13 C ATOM 819 C ASP A 53 4.547 -11.590 -10.258 1.00 2.25 C ATOM 820 O ASP A 53 3.439 -11.170 -9.921 1.00 64.32 O ATOM 821 CB ASP A 53 5.788 -11.871 -8.103 1.00 42.32 C ATOM 822 CG ASP A 53 6.929 -12.853 -7.927 1.00 63.33 C ATOM 823 OD1 ASP A 53 8.092 -12.404 -7.840 1.00 75.04 O ATOM 824 OD2 ASP A 53 6.660 -14.071 -7.876 1.00 21.44 O ATOM 0 H ASP A 53 5.010 -9.290 -9.137 1.00 2.31 H new ATOM 0 HA ASP A 53 6.672 -11.547 -10.034 1.00 2.13 H new ATOM 0 HB2 ASP A 53 5.849 -11.105 -7.329 1.00 42.32 H new ATOM 0 HB3 ASP A 53 4.840 -12.391 -7.963 1.00 42.32 H new ATOM 829 N CYS A 54 4.730 -12.392 -11.301 1.00 30.32 N ATOM 830 CA CYS A 54 3.616 -12.836 -12.129 1.00 75.13 C ATOM 831 C CYS A 54 3.258 -14.289 -11.827 1.00 40.45 C ATOM 832 O CYS A 54 4.035 -15.201 -12.108 1.00 23.21 O ATOM 833 CB CYS A 54 3.962 -12.682 -13.612 1.00 32.14 C ATOM 834 SG CYS A 54 2.530 -12.309 -14.675 1.00 22.14 S ATOM 0 H CYS A 54 5.640 -12.748 -11.593 1.00 30.32 H new ATOM 0 HA CYS A 54 2.753 -12.212 -11.897 1.00 75.13 H new ATOM 0 HB2 CYS A 54 4.699 -11.887 -13.721 1.00 32.14 H new ATOM 0 HB3 CYS A 54 4.431 -13.602 -13.962 1.00 32.14 H new ATOM 839 N ASP A 55 2.077 -14.495 -11.255 1.00 3.53 N ATOM 840 CA ASP A 55 1.615 -15.836 -10.916 1.00 3.42 C ATOM 841 C ASP A 55 2.726 -16.640 -10.247 1.00 72.14 C ATOM 842 O ASP A 55 2.518 -17.249 -9.197 1.00 63.30 O ATOM 843 CB ASP A 55 1.126 -16.562 -12.170 1.00 4.21 C ATOM 844 CG ASP A 55 1.968 -17.779 -12.499 1.00 60.02 C ATOM 845 OD1 ASP A 55 3.173 -17.609 -12.777 1.00 43.24 O ATOM 846 OD2 ASP A 55 1.421 -18.902 -12.479 1.00 42.14 O ATOM 0 H ASP A 55 1.422 -13.750 -11.016 1.00 3.53 H new ATOM 0 HA ASP A 55 0.786 -15.742 -10.214 1.00 3.42 H new ATOM 0 HB2 ASP A 55 0.090 -16.868 -12.028 1.00 4.21 H new ATOM 0 HB3 ASP A 55 1.142 -15.873 -13.015 1.00 4.21 H new TER 851 ASP A 55