USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 552 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 55 ASN : amide:sc=-0.00452 X(o=-0.14,f=0.073) USER MOD Set 1.2: A 57 ASN : amide:sc= -0.133 X(o=-0.14,f=0.073) USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl 147:sc= -3.53 (180deg=-5.52!) USER MOD Single : A 7 LYS NZ :NH3+ -132:sc= -1.11 (180deg=-3.87!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -1 SER OG : rot 31:sc= 0.188 USER MOD Single : A -2 GLY N :NH3+ 175:sc= 0 (180deg=-0.0157) USER MOD Single : A 11 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0265) USER MOD Single : A 15 TYR OH : rot 180:sc= -0.675 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.256 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -160:sc= -2.54 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00635) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -129:sc= -0.623 (180deg=-2.03!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -161:sc= -0.0792 (180deg=-0.41) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 14.990 -13.314 -13.488 1.00 63.10 N ATOM 2 CA GLY A -2 13.664 -12.892 -13.078 1.00 74.13 C ATOM 3 C GLY A -2 13.242 -13.505 -11.756 1.00 55.44 C ATOM 4 O GLY A -2 12.103 -13.944 -11.603 1.00 53.54 O ATOM 0 H1 GLY A -2 15.197 -12.936 -14.435 1.00 63.10 H new ATOM 0 H2 GLY A -2 15.693 -12.956 -12.811 1.00 63.10 H new ATOM 0 H3 GLY A -2 15.031 -14.353 -13.513 1.00 63.10 H new ATOM 0 HA2 GLY A -2 13.642 -11.805 -12.995 1.00 74.13 H new ATOM 0 HA3 GLY A -2 12.944 -13.167 -13.849 1.00 74.13 H new ATOM 8 N SER A -1 14.165 -13.535 -10.800 1.00 63.41 N ATOM 9 CA SER A -1 13.886 -14.103 -9.486 1.00 33.54 C ATOM 10 C SER A -1 12.896 -13.233 -8.718 1.00 21.43 C ATOM 11 O SER A -1 13.166 -12.065 -8.436 1.00 73.31 O ATOM 12 CB SER A -1 15.180 -14.252 -8.685 1.00 74.53 C ATOM 13 OG SER A -1 15.911 -13.038 -8.668 1.00 1.34 O ATOM 0 H SER A -1 15.112 -13.173 -10.911 1.00 63.41 H new ATOM 0 HA SER A -1 13.442 -15.088 -9.630 1.00 33.54 H new ATOM 0 HB2 SER A -1 14.947 -14.554 -7.664 1.00 74.53 H new ATOM 0 HB3 SER A -1 15.792 -15.043 -9.120 1.00 74.53 H new ATOM 0 HG SER A -1 15.290 -12.281 -8.718 1.00 1.34 H new ATOM 19 N HIS A 0 11.746 -13.811 -8.382 1.00 42.45 N ATOM 20 CA HIS A 0 10.715 -13.089 -7.645 1.00 11.11 C ATOM 21 C HIS A 0 11.199 -12.730 -6.243 1.00 40.43 C ATOM 22 O HIS A 0 11.926 -13.497 -5.611 1.00 53.21 O ATOM 23 CB HIS A 0 9.440 -13.927 -7.558 1.00 23.12 C ATOM 24 CG HIS A 0 8.498 -13.704 -8.700 1.00 72.40 C ATOM 25 ND1 HIS A 0 8.452 -14.524 -9.809 1.00 3.31 N ATOM 26 CD2 HIS A 0 7.560 -12.749 -8.901 1.00 64.11 C ATOM 27 CE1 HIS A 0 7.529 -14.080 -10.643 1.00 22.32 C ATOM 28 NE2 HIS A 0 6.972 -13.005 -10.116 1.00 63.23 N ATOM 0 H HIS A 0 11.505 -14.776 -8.608 1.00 42.45 H new ATOM 0 HA HIS A 0 10.498 -12.166 -8.182 1.00 11.11 H new ATOM 0 HB2 HIS A 0 9.710 -14.982 -7.522 1.00 23.12 H new ATOM 0 HB3 HIS A 0 8.927 -13.697 -6.624 1.00 23.12 H new ATOM 0 HD2 HIS A 0 7.319 -11.937 -8.231 1.00 64.11 H new ATOM 0 HE1 HIS A 0 7.273 -14.521 -11.595 1.00 22.32 H new ATOM 0 HE2 HIS A 0 6.226 -12.454 -10.542 1.00 63.23 H new ATOM 36 N MET A 1 10.792 -11.559 -5.764 1.00 5.40 N ATOM 37 CA MET A 1 11.184 -11.100 -4.436 1.00 50.33 C ATOM 38 C MET A 1 9.967 -10.954 -3.529 1.00 70.24 C ATOM 39 O MET A 1 8.830 -11.143 -3.963 1.00 75.35 O ATOM 40 CB MET A 1 11.925 -9.765 -4.533 1.00 2.45 C ATOM 41 CG MET A 1 13.424 -9.914 -4.729 1.00 53.42 C ATOM 42 SD MET A 1 14.258 -8.329 -4.941 1.00 62.23 S ATOM 43 CE MET A 1 15.773 -8.619 -4.031 1.00 42.04 C ATOM 0 H MET A 1 10.192 -10.911 -6.275 1.00 5.40 H new ATOM 0 HA MET A 1 11.850 -11.847 -4.003 1.00 50.33 H new ATOM 0 HB2 MET A 1 11.514 -9.190 -5.363 1.00 2.45 H new ATOM 0 HB3 MET A 1 11.741 -9.190 -3.625 1.00 2.45 H new ATOM 0 HG2 MET A 1 13.849 -10.432 -3.869 1.00 53.42 H new ATOM 0 HG3 MET A 1 13.612 -10.539 -5.602 1.00 53.42 H new ATOM 0 HE1 MET A 1 16.397 -7.726 -4.070 1.00 42.04 H new ATOM 0 HE2 MET A 1 15.535 -8.851 -2.993 1.00 42.04 H new ATOM 0 HE3 MET A 1 16.310 -9.457 -4.476 1.00 42.04 H new ATOM 53 N VAL A 2 10.211 -10.619 -2.266 1.00 41.44 N ATOM 54 CA VAL A 2 9.135 -10.447 -1.298 1.00 64.23 C ATOM 55 C VAL A 2 8.654 -9.002 -1.261 1.00 14.31 C ATOM 56 O VAL A 2 9.434 -8.072 -1.466 1.00 63.53 O ATOM 57 CB VAL A 2 9.579 -10.866 0.116 1.00 40.33 C ATOM 58 CG1 VAL A 2 10.690 -9.955 0.618 1.00 73.20 C ATOM 59 CG2 VAL A 2 8.396 -10.854 1.072 1.00 72.13 C ATOM 0 H VAL A 2 11.146 -10.461 -1.889 1.00 41.44 H new ATOM 0 HA VAL A 2 8.316 -11.091 -1.619 1.00 64.23 H new ATOM 0 HB VAL A 2 9.968 -11.883 0.069 1.00 40.33 H new ATOM 0 HG11 VAL A 2 10.991 -10.266 1.618 1.00 73.20 H new ATOM 0 HG12 VAL A 2 11.545 -10.019 -0.055 1.00 73.20 H new ATOM 0 HG13 VAL A 2 10.330 -8.927 0.650 1.00 73.20 H new ATOM 0 HG21 VAL A 2 8.729 -11.153 2.066 1.00 72.13 H new ATOM 0 HG22 VAL A 2 7.975 -9.850 1.117 1.00 72.13 H new ATOM 0 HG23 VAL A 2 7.636 -11.551 0.719 1.00 72.13 H new ATOM 69 N GLU A 3 7.364 -8.819 -0.997 1.00 63.21 N ATOM 70 CA GLU A 3 6.779 -7.485 -0.933 1.00 33.11 C ATOM 71 C GLU A 3 7.417 -6.665 0.183 1.00 12.55 C ATOM 72 O GLU A 3 8.286 -7.150 0.906 1.00 51.44 O ATOM 73 CB GLU A 3 5.267 -7.576 -0.715 1.00 24.30 C ATOM 74 CG GLU A 3 4.481 -7.816 -1.992 1.00 23.34 C ATOM 75 CD GLU A 3 4.397 -9.286 -2.359 1.00 21.02 C ATOM 76 OE1 GLU A 3 3.728 -10.044 -1.626 1.00 41.22 O ATOM 77 OE2 GLU A 3 5.002 -9.676 -3.380 1.00 24.31 O ATOM 0 H GLU A 3 6.704 -9.578 -0.824 1.00 63.21 H new ATOM 0 HA GLU A 3 6.972 -6.986 -1.883 1.00 33.11 H new ATOM 0 HB2 GLU A 3 5.058 -8.383 -0.013 1.00 24.30 H new ATOM 0 HB3 GLU A 3 4.919 -6.652 -0.252 1.00 24.30 H new ATOM 0 HG2 GLU A 3 3.474 -7.417 -1.874 1.00 23.34 H new ATOM 0 HG3 GLU A 3 4.948 -7.267 -2.810 1.00 23.34 H new ATOM 84 N MET A 4 6.978 -5.416 0.317 1.00 61.52 N ATOM 85 CA MET A 4 7.506 -4.528 1.346 1.00 13.43 C ATOM 86 C MET A 4 6.385 -3.721 1.994 1.00 14.10 C ATOM 87 O MET A 4 5.499 -3.210 1.308 1.00 64.22 O ATOM 88 CB MET A 4 8.550 -3.584 0.748 1.00 12.31 C ATOM 89 CG MET A 4 9.926 -4.215 0.601 1.00 53.41 C ATOM 90 SD MET A 4 10.922 -4.062 2.096 1.00 23.42 S ATOM 91 CE MET A 4 12.573 -4.050 1.403 1.00 74.02 C ATOM 0 H MET A 4 6.259 -4.998 -0.274 1.00 61.52 H new ATOM 0 HA MET A 4 7.979 -5.141 2.113 1.00 13.43 H new ATOM 0 HB2 MET A 4 8.207 -3.249 -0.231 1.00 12.31 H new ATOM 0 HB3 MET A 4 8.631 -2.698 1.378 1.00 12.31 H new ATOM 0 HG2 MET A 4 9.813 -5.270 0.350 1.00 53.41 H new ATOM 0 HG3 MET A 4 10.451 -3.744 -0.230 1.00 53.41 H new ATOM 0 HE1 MET A 4 13.304 -3.960 2.206 1.00 74.02 H new ATOM 0 HE2 MET A 4 12.745 -4.978 0.858 1.00 74.02 H new ATOM 0 HE3 MET A 4 12.676 -3.205 0.723 1.00 74.02 H new ATOM 101 N ARG A 5 6.430 -3.609 3.317 1.00 62.14 N ATOM 102 CA ARG A 5 5.418 -2.864 4.057 1.00 74.54 C ATOM 103 C ARG A 5 5.435 -1.389 3.667 1.00 33.43 C ATOM 104 O ARG A 5 4.401 -0.723 3.677 1.00 35.11 O ATOM 105 CB ARG A 5 5.648 -3.008 5.562 1.00 32.25 C ATOM 106 CG ARG A 5 4.706 -2.163 6.405 1.00 21.43 C ATOM 107 CD ARG A 5 5.150 -2.117 7.859 1.00 34.03 C ATOM 108 NE ARG A 5 4.335 -2.981 8.707 1.00 23.40 N ATOM 109 CZ ARG A 5 4.225 -2.828 10.023 1.00 31.21 C ATOM 110 NH1 ARG A 5 4.874 -1.848 10.636 1.00 13.30 N ATOM 111 NH2 ARG A 5 3.464 -3.657 10.727 1.00 1.53 N ATOM 0 H ARG A 5 7.157 -4.025 3.899 1.00 62.14 H new ATOM 0 HA ARG A 5 4.441 -3.277 3.805 1.00 74.54 H new ATOM 0 HB2 ARG A 5 5.531 -4.055 5.840 1.00 32.25 H new ATOM 0 HB3 ARG A 5 6.677 -2.730 5.792 1.00 32.25 H new ATOM 0 HG2 ARG A 5 4.666 -1.150 6.003 1.00 21.43 H new ATOM 0 HG3 ARG A 5 3.697 -2.570 6.344 1.00 21.43 H new ATOM 0 HD2 ARG A 5 6.194 -2.421 7.929 1.00 34.03 H new ATOM 0 HD3 ARG A 5 5.092 -1.091 8.224 1.00 34.03 H new ATOM 0 HE ARG A 5 3.822 -3.744 8.266 1.00 23.40 H new ATOM 0 HH11 ARG A 5 5.459 -1.209 10.098 1.00 13.30 H new ATOM 0 HH12 ARG A 5 4.788 -1.733 11.646 1.00 13.30 H new ATOM 0 HH21 ARG A 5 2.963 -4.412 10.258 1.00 1.53 H new ATOM 0 HH22 ARG A 5 3.380 -3.539 11.737 1.00 1.53 H new ATOM 125 N MET A 6 6.617 -0.887 3.325 1.00 53.21 N ATOM 126 CA MET A 6 6.767 0.509 2.931 1.00 45.30 C ATOM 127 C MET A 6 6.202 0.745 1.534 1.00 21.22 C ATOM 128 O MET A 6 6.082 -0.186 0.737 1.00 32.20 O ATOM 129 CB MET A 6 8.242 0.916 2.973 1.00 53.04 C ATOM 130 CG MET A 6 8.456 2.419 3.064 1.00 32.43 C ATOM 131 SD MET A 6 9.935 2.854 3.998 1.00 71.23 S ATOM 132 CE MET A 6 9.415 4.391 4.757 1.00 43.13 C ATOM 0 H MET A 6 7.483 -1.425 3.313 1.00 53.21 H new ATOM 0 HA MET A 6 6.207 1.122 3.637 1.00 45.30 H new ATOM 0 HB2 MET A 6 8.718 0.437 3.828 1.00 53.04 H new ATOM 0 HB3 MET A 6 8.740 0.540 2.079 1.00 53.04 H new ATOM 0 HG2 MET A 6 8.531 2.833 2.058 1.00 32.43 H new ATOM 0 HG3 MET A 6 7.586 2.878 3.534 1.00 32.43 H new ATOM 0 HE1 MET A 6 9.882 4.489 5.737 1.00 43.13 H new ATOM 0 HE2 MET A 6 9.715 5.228 4.126 1.00 43.13 H new ATOM 0 HE3 MET A 6 8.331 4.392 4.870 1.00 43.13 H new ATOM 142 N LYS A 7 5.855 1.993 1.244 1.00 12.41 N ATOM 143 CA LYS A 7 5.302 2.352 -0.056 1.00 54.45 C ATOM 144 C LYS A 7 6.025 3.562 -0.640 1.00 53.53 C ATOM 145 O LYS A 7 6.878 4.164 0.014 1.00 53.53 O ATOM 146 CB LYS A 7 3.806 2.649 0.066 1.00 53.24 C ATOM 147 CG LYS A 7 3.464 3.587 1.211 1.00 23.43 C ATOM 148 CD LYS A 7 2.105 3.263 1.810 1.00 53.12 C ATOM 149 CE LYS A 7 0.990 3.439 0.789 1.00 65.43 C ATOM 150 NZ LYS A 7 -0.324 2.981 1.319 1.00 54.25 N ATOM 0 H LYS A 7 5.947 2.775 1.893 1.00 12.41 H new ATOM 0 HA LYS A 7 5.444 1.506 -0.728 1.00 54.45 H new ATOM 0 HB2 LYS A 7 3.453 3.086 -0.868 1.00 53.24 H new ATOM 0 HB3 LYS A 7 3.268 1.711 0.202 1.00 53.24 H new ATOM 0 HG2 LYS A 7 4.230 3.514 1.983 1.00 23.43 H new ATOM 0 HG3 LYS A 7 3.469 4.617 0.853 1.00 23.43 H new ATOM 0 HD2 LYS A 7 2.104 2.237 2.179 1.00 53.12 H new ATOM 0 HD3 LYS A 7 1.920 3.910 2.667 1.00 53.12 H new ATOM 0 HE2 LYS A 7 0.921 4.489 0.504 1.00 65.43 H new ATOM 0 HE3 LYS A 7 1.233 2.879 -0.114 1.00 65.43 H new ATOM 0 HZ1 LYS A 7 -0.786 2.367 0.618 1.00 54.25 H new ATOM 0 HZ2 LYS A 7 -0.177 2.449 2.201 1.00 54.25 H new ATOM 0 HZ3 LYS A 7 -0.928 3.806 1.509 1.00 54.25 H new ATOM 164 N LYS A 8 5.678 3.916 -1.873 1.00 21.10 N ATOM 165 CA LYS A 8 6.292 5.056 -2.544 1.00 32.32 C ATOM 166 C LYS A 8 5.259 5.826 -3.361 1.00 15.22 C ATOM 167 O LYS A 8 4.300 5.246 -3.873 1.00 2.42 O ATOM 168 CB LYS A 8 7.430 4.586 -3.453 1.00 14.35 C ATOM 169 CG LYS A 8 8.183 5.724 -4.120 1.00 53.01 C ATOM 170 CD LYS A 8 9.189 5.207 -5.136 1.00 25.13 C ATOM 171 CE LYS A 8 8.516 4.839 -6.449 1.00 51.32 C ATOM 172 NZ LYS A 8 9.507 4.449 -7.490 1.00 11.20 N ATOM 0 H LYS A 8 4.974 3.429 -2.428 1.00 21.10 H new ATOM 0 HA LYS A 8 6.696 5.722 -1.781 1.00 32.32 H new ATOM 0 HB2 LYS A 8 8.131 3.992 -2.867 1.00 14.35 H new ATOM 0 HB3 LYS A 8 7.022 3.930 -4.223 1.00 14.35 H new ATOM 0 HG2 LYS A 8 7.475 6.390 -4.614 1.00 53.01 H new ATOM 0 HG3 LYS A 8 8.700 6.313 -3.362 1.00 53.01 H new ATOM 0 HD2 LYS A 8 9.949 5.967 -5.316 1.00 25.13 H new ATOM 0 HD3 LYS A 8 9.701 4.334 -4.731 1.00 25.13 H new ATOM 0 HE2 LYS A 8 7.821 4.016 -6.283 1.00 51.32 H new ATOM 0 HE3 LYS A 8 7.929 5.685 -6.806 1.00 51.32 H new ATOM 0 HZ1 LYS A 8 9.009 4.205 -8.370 1.00 11.20 H new ATOM 0 HZ2 LYS A 8 10.155 5.243 -7.667 1.00 11.20 H new ATOM 0 HZ3 LYS A 8 10.051 3.626 -7.161 1.00 11.20 H new ATOM 186 N CYS A 9 5.462 7.133 -3.480 1.00 0.50 N ATOM 187 CA CYS A 9 4.548 7.983 -4.236 1.00 72.42 C ATOM 188 C CYS A 9 4.683 7.728 -5.734 1.00 1.12 C ATOM 189 O CYS A 9 5.735 7.948 -6.334 1.00 62.02 O ATOM 190 CB CYS A 9 4.819 9.457 -3.930 1.00 32.11 C ATOM 191 SG CYS A 9 3.644 10.597 -4.698 1.00 42.04 S ATOM 0 H CYS A 9 6.251 7.628 -3.063 1.00 0.50 H new ATOM 0 HA CYS A 9 3.529 7.739 -3.935 1.00 72.42 H new ATOM 0 HB2 CYS A 9 4.798 9.603 -2.850 1.00 32.11 H new ATOM 0 HB3 CYS A 9 5.825 9.708 -4.266 1.00 32.11 H new ATOM 196 N PRO A 10 3.593 7.251 -6.353 1.00 14.13 N ATOM 197 CA PRO A 10 3.564 6.955 -7.789 1.00 10.52 C ATOM 198 C PRO A 10 3.617 8.219 -8.643 1.00 63.44 C ATOM 199 O PRO A 10 3.712 8.148 -9.868 1.00 22.15 O ATOM 200 CB PRO A 10 2.224 6.239 -7.977 1.00 0.31 C ATOM 201 CG PRO A 10 1.373 6.730 -6.857 1.00 34.13 C ATOM 202 CD PRO A 10 2.305 6.966 -5.701 1.00 32.43 C ATOM 0 HA PRO A 10 4.426 6.365 -8.101 1.00 10.52 H new ATOM 0 HB2 PRO A 10 1.781 6.476 -8.944 1.00 0.31 H new ATOM 0 HB3 PRO A 10 2.344 5.156 -7.938 1.00 0.31 H new ATOM 0 HG2 PRO A 10 0.855 7.648 -7.134 1.00 34.13 H new ATOM 0 HG3 PRO A 10 0.608 5.998 -6.598 1.00 34.13 H new ATOM 0 HD2 PRO A 10 1.975 7.801 -5.083 1.00 32.43 H new ATOM 0 HD3 PRO A 10 2.368 6.093 -5.051 1.00 32.43 H new ATOM 210 N LYS A 11 3.557 9.372 -7.987 1.00 14.12 N ATOM 211 CA LYS A 11 3.600 10.652 -8.685 1.00 33.13 C ATOM 212 C LYS A 11 5.018 11.215 -8.702 1.00 2.02 C ATOM 213 O LYS A 11 5.481 11.725 -9.723 1.00 10.41 O ATOM 214 CB LYS A 11 2.651 11.651 -8.021 1.00 24.23 C ATOM 215 CG LYS A 11 1.398 11.932 -8.833 1.00 61.32 C ATOM 216 CD LYS A 11 0.543 10.685 -8.989 1.00 1.13 C ATOM 217 CE LYS A 11 -0.512 10.864 -10.070 1.00 51.13 C ATOM 218 NZ LYS A 11 -1.455 11.970 -9.746 1.00 32.31 N ATOM 0 H LYS A 11 3.478 9.447 -6.973 1.00 14.12 H new ATOM 0 HA LYS A 11 3.281 10.487 -9.714 1.00 33.13 H new ATOM 0 HB2 LYS A 11 2.361 11.269 -7.042 1.00 24.23 H new ATOM 0 HB3 LYS A 11 3.183 12.588 -7.853 1.00 24.23 H new ATOM 0 HG2 LYS A 11 0.816 12.715 -8.346 1.00 61.32 H new ATOM 0 HG3 LYS A 11 1.678 12.308 -9.817 1.00 61.32 H new ATOM 0 HD2 LYS A 11 1.179 9.835 -9.237 1.00 1.13 H new ATOM 0 HD3 LYS A 11 0.058 10.454 -8.041 1.00 1.13 H new ATOM 0 HE2 LYS A 11 -0.024 11.070 -11.023 1.00 51.13 H new ATOM 0 HE3 LYS A 11 -1.069 9.935 -10.191 1.00 51.13 H new ATOM 0 HZ1 LYS A 11 -2.217 11.995 -10.453 1.00 32.31 H new ATOM 0 HZ2 LYS A 11 -1.863 11.813 -8.802 1.00 32.31 H new ATOM 0 HZ3 LYS A 11 -0.944 12.876 -9.756 1.00 32.31 H new ATOM 232 N CYS A 12 5.700 11.118 -7.567 1.00 51.54 N ATOM 233 CA CYS A 12 7.067 11.619 -7.451 1.00 32.45 C ATOM 234 C CYS A 12 8.058 10.466 -7.332 1.00 54.05 C ATOM 235 O CYS A 12 8.986 10.347 -8.132 1.00 23.33 O ATOM 236 CB CYS A 12 7.192 12.543 -6.239 1.00 33.13 C ATOM 237 SG CYS A 12 5.825 13.712 -6.058 1.00 2.25 S ATOM 0 H CYS A 12 5.331 10.698 -6.714 1.00 51.54 H new ATOM 0 HA CYS A 12 7.300 12.184 -8.354 1.00 32.45 H new ATOM 0 HB2 CYS A 12 7.257 11.935 -5.337 1.00 33.13 H new ATOM 0 HB3 CYS A 12 8.125 13.101 -6.316 1.00 33.13 H new ATOM 242 N GLY A 13 7.857 9.620 -6.327 1.00 64.15 N ATOM 243 CA GLY A 13 8.743 8.489 -6.120 1.00 52.42 C ATOM 244 C GLY A 13 9.429 8.529 -4.769 1.00 14.00 C ATOM 245 O GLY A 13 10.561 8.065 -4.625 1.00 52.40 O ATOM 0 H GLY A 13 7.096 9.697 -5.652 1.00 64.15 H new ATOM 0 HA2 GLY A 13 8.173 7.564 -6.207 1.00 52.42 H new ATOM 0 HA3 GLY A 13 9.497 8.474 -6.907 1.00 52.42 H new ATOM 249 N LEU A 14 8.745 9.087 -3.776 1.00 22.31 N ATOM 250 CA LEU A 14 9.296 9.188 -2.429 1.00 11.13 C ATOM 251 C LEU A 14 8.793 8.049 -1.548 1.00 12.40 C ATOM 252 O LEU A 14 7.593 7.778 -1.492 1.00 71.33 O ATOM 253 CB LEU A 14 8.925 10.534 -1.805 1.00 13.32 C ATOM 254 CG LEU A 14 8.873 10.574 -0.277 1.00 73.14 C ATOM 255 CD1 LEU A 14 10.242 10.269 0.311 1.00 61.20 C ATOM 256 CD2 LEU A 14 8.373 11.928 0.205 1.00 30.50 C ATOM 0 H LEU A 14 7.808 9.476 -3.878 1.00 22.31 H new ATOM 0 HA LEU A 14 10.381 9.115 -2.500 1.00 11.13 H new ATOM 0 HB2 LEU A 14 9.644 11.279 -2.144 1.00 13.32 H new ATOM 0 HB3 LEU A 14 7.950 10.834 -2.190 1.00 13.32 H new ATOM 0 HG LEU A 14 8.175 9.810 0.064 1.00 73.14 H new ATOM 0 HD11 LEU A 14 10.186 10.302 1.399 1.00 61.20 H new ATOM 0 HD12 LEU A 14 10.561 9.276 -0.006 1.00 61.20 H new ATOM 0 HD13 LEU A 14 10.961 11.010 -0.038 1.00 61.20 H new ATOM 0 HD21 LEU A 14 8.343 11.938 1.295 1.00 30.50 H new ATOM 0 HD22 LEU A 14 9.046 12.710 -0.146 1.00 30.50 H new ATOM 0 HD23 LEU A 14 7.372 12.107 -0.187 1.00 30.50 H new ATOM 268 N TYR A 15 9.716 7.388 -0.860 1.00 51.23 N ATOM 269 CA TYR A 15 9.367 6.278 0.018 1.00 0.23 C ATOM 270 C TYR A 15 8.849 6.788 1.360 1.00 2.10 C ATOM 271 O TYR A 15 9.303 7.816 1.865 1.00 31.13 O ATOM 272 CB TYR A 15 10.579 5.373 0.238 1.00 63.50 C ATOM 273 CG TYR A 15 10.504 4.065 -0.518 1.00 15.51 C ATOM 274 CD1 TYR A 15 10.544 4.041 -1.907 1.00 14.43 C ATOM 275 CD2 TYR A 15 10.393 2.855 0.155 1.00 34.33 C ATOM 276 CE1 TYR A 15 10.475 2.851 -2.604 1.00 32.45 C ATOM 277 CE2 TYR A 15 10.324 1.660 -0.534 1.00 62.44 C ATOM 278 CZ TYR A 15 10.366 1.662 -1.912 1.00 34.13 C ATOM 279 OH TYR A 15 10.297 0.473 -2.601 1.00 60.41 O ATOM 0 H TYR A 15 10.713 7.602 -0.893 1.00 51.23 H new ATOM 0 HA TYR A 15 8.576 5.703 -0.463 1.00 0.23 H new ATOM 0 HB2 TYR A 15 11.480 5.907 -0.065 1.00 63.50 H new ATOM 0 HB3 TYR A 15 10.676 5.162 1.303 1.00 63.50 H new ATOM 0 HD1 TYR A 15 10.631 4.970 -2.451 1.00 14.43 H new ATOM 0 HD2 TYR A 15 10.360 2.849 1.234 1.00 34.33 H new ATOM 0 HE1 TYR A 15 10.506 2.851 -3.684 1.00 32.45 H new ATOM 0 HE2 TYR A 15 10.237 0.728 0.004 1.00 62.44 H new ATOM 0 HH TYR A 15 10.224 -0.270 -1.966 1.00 60.41 H new ATOM 289 N THR A 16 7.895 6.062 1.934 1.00 72.33 N ATOM 290 CA THR A 16 7.314 6.438 3.216 1.00 10.12 C ATOM 291 C THR A 16 6.323 5.387 3.700 1.00 24.42 C ATOM 292 O THR A 16 6.025 4.425 2.990 1.00 0.23 O ATOM 293 CB THR A 16 6.599 7.800 3.130 1.00 51.32 C ATOM 294 OG1 THR A 16 6.189 8.221 4.436 1.00 15.04 O ATOM 295 CG2 THR A 16 5.388 7.719 2.214 1.00 70.50 C ATOM 0 H THR A 16 7.508 5.209 1.530 1.00 72.33 H new ATOM 0 HA THR A 16 8.137 6.512 3.927 1.00 10.12 H new ATOM 0 HB THR A 16 7.298 8.527 2.717 1.00 51.32 H new ATOM 0 HG1 THR A 16 5.737 9.088 4.373 1.00 15.04 H new ATOM 0 HG21 THR A 16 4.900 8.693 2.169 1.00 70.50 H new ATOM 0 HG22 THR A 16 5.707 7.427 1.214 1.00 70.50 H new ATOM 0 HG23 THR A 16 4.687 6.979 2.602 1.00 70.50 H new ATOM 303 N LEU A 17 5.813 5.574 4.914 1.00 55.24 N ATOM 304 CA LEU A 17 4.854 4.641 5.493 1.00 11.25 C ATOM 305 C LEU A 17 3.584 5.368 5.929 1.00 63.33 C ATOM 306 O LEU A 17 2.670 4.761 6.488 1.00 70.44 O ATOM 307 CB LEU A 17 5.475 3.916 6.687 1.00 24.03 C ATOM 308 CG LEU A 17 6.491 2.823 6.354 1.00 72.14 C ATOM 309 CD1 LEU A 17 7.553 2.732 7.439 1.00 72.12 C ATOM 310 CD2 LEU A 17 5.794 1.483 6.172 1.00 0.33 C ATOM 0 H LEU A 17 6.048 6.364 5.515 1.00 55.24 H new ATOM 0 HA LEU A 17 4.589 3.909 4.730 1.00 11.25 H new ATOM 0 HB2 LEU A 17 5.962 4.656 7.322 1.00 24.03 H new ATOM 0 HB3 LEU A 17 4.672 3.471 7.274 1.00 24.03 H new ATOM 0 HG LEU A 17 6.981 3.084 5.416 1.00 72.14 H new ATOM 0 HD11 LEU A 17 8.267 1.949 7.184 1.00 72.12 H new ATOM 0 HD12 LEU A 17 8.074 3.686 7.519 1.00 72.12 H new ATOM 0 HD13 LEU A 17 7.080 2.496 8.392 1.00 72.12 H new ATOM 0 HD21 LEU A 17 6.533 0.718 5.936 1.00 0.33 H new ATOM 0 HD22 LEU A 17 5.275 1.215 7.092 1.00 0.33 H new ATOM 0 HD23 LEU A 17 5.073 1.555 5.357 1.00 0.33 H new ATOM 322 N LYS A 18 3.534 6.669 5.668 1.00 23.15 N ATOM 323 CA LYS A 18 2.376 7.478 6.030 1.00 52.31 C ATOM 324 C LYS A 18 1.257 7.314 5.007 1.00 13.32 C ATOM 325 O LYS A 18 0.174 7.878 5.163 1.00 72.14 O ATOM 326 CB LYS A 18 2.772 8.952 6.137 1.00 1.42 C ATOM 327 CG LYS A 18 4.043 9.184 6.935 1.00 2.33 C ATOM 328 CD LYS A 18 4.357 10.666 7.065 1.00 31.12 C ATOM 329 CE LYS A 18 3.260 11.405 7.816 1.00 22.30 C ATOM 330 NZ LYS A 18 3.789 12.588 8.550 1.00 71.45 N ATOM 0 H LYS A 18 4.282 7.187 5.207 1.00 23.15 H new ATOM 0 HA LYS A 18 2.012 7.135 6.998 1.00 52.31 H new ATOM 0 HB2 LYS A 18 2.904 9.358 5.134 1.00 1.42 H new ATOM 0 HB3 LYS A 18 1.956 9.506 6.601 1.00 1.42 H new ATOM 0 HG2 LYS A 18 3.936 8.745 7.927 1.00 2.33 H new ATOM 0 HG3 LYS A 18 4.876 8.676 6.450 1.00 2.33 H new ATOM 0 HD2 LYS A 18 5.306 10.794 7.586 1.00 31.12 H new ATOM 0 HD3 LYS A 18 4.477 11.102 6.073 1.00 31.12 H new ATOM 0 HE2 LYS A 18 2.493 11.728 7.112 1.00 22.30 H new ATOM 0 HE3 LYS A 18 2.781 10.725 8.521 1.00 22.30 H new ATOM 0 HZ1 LYS A 18 3.010 13.064 9.049 1.00 71.45 H new ATOM 0 HZ2 LYS A 18 4.503 12.278 9.239 1.00 71.45 H new ATOM 0 HZ3 LYS A 18 4.224 13.249 7.875 1.00 71.45 H new ATOM 344 N GLU A 19 1.525 6.538 3.961 1.00 23.22 N ATOM 345 CA GLU A 19 0.539 6.300 2.914 1.00 51.13 C ATOM 346 C GLU A 19 0.186 7.599 2.195 1.00 73.42 C ATOM 347 O GLU A 19 -0.761 7.647 1.409 1.00 64.20 O ATOM 348 CB GLU A 19 -0.724 5.671 3.506 1.00 35.34 C ATOM 349 CG GLU A 19 -0.456 4.417 4.320 1.00 10.34 C ATOM 350 CD GLU A 19 -1.476 3.325 4.061 1.00 70.21 C ATOM 351 OE1 GLU A 19 -2.609 3.656 3.653 1.00 21.01 O ATOM 352 OE2 GLU A 19 -1.141 2.139 4.266 1.00 54.31 O ATOM 0 H GLU A 19 2.416 6.064 3.817 1.00 23.22 H new ATOM 0 HA GLU A 19 0.973 5.611 2.190 1.00 51.13 H new ATOM 0 HB2 GLU A 19 -1.223 6.405 4.139 1.00 35.34 H new ATOM 0 HB3 GLU A 19 -1.412 5.428 2.696 1.00 35.34 H new ATOM 0 HG2 GLU A 19 0.540 4.042 4.085 1.00 10.34 H new ATOM 0 HG3 GLU A 19 -0.460 4.669 5.381 1.00 10.34 H new ATOM 359 N ILE A 20 0.954 8.648 2.470 1.00 31.34 N ATOM 360 CA ILE A 20 0.722 9.946 1.848 1.00 43.33 C ATOM 361 C ILE A 20 2.038 10.671 1.584 1.00 73.41 C ATOM 362 O ILE A 20 2.912 10.726 2.448 1.00 54.14 O ATOM 363 CB ILE A 20 -0.174 10.838 2.728 1.00 55.11 C ATOM 364 CG1 ILE A 20 -1.540 10.180 2.936 1.00 51.34 C ATOM 365 CG2 ILE A 20 -0.335 12.214 2.096 1.00 63.33 C ATOM 366 CD1 ILE A 20 -2.373 10.106 1.677 1.00 21.13 C ATOM 0 H ILE A 20 1.741 8.625 3.118 1.00 31.34 H new ATOM 0 HA ILE A 20 0.217 9.758 0.901 1.00 43.33 H new ATOM 0 HB ILE A 20 0.303 10.959 3.701 1.00 55.11 H new ATOM 0 HG12 ILE A 20 -1.393 9.172 3.325 1.00 51.34 H new ATOM 0 HG13 ILE A 20 -2.091 10.737 3.694 1.00 51.34 H new ATOM 0 HG21 ILE A 20 -0.971 12.833 2.729 1.00 63.33 H new ATOM 0 HG22 ILE A 20 0.643 12.684 1.994 1.00 63.33 H new ATOM 0 HG23 ILE A 20 -0.793 12.111 1.112 1.00 63.33 H new ATOM 0 HD11 ILE A 20 -3.327 9.628 1.900 1.00 21.13 H new ATOM 0 HD12 ILE A 20 -2.551 11.113 1.299 1.00 21.13 H new ATOM 0 HD13 ILE A 20 -1.843 9.524 0.924 1.00 21.13 H new ATOM 378 N CYS A 21 2.169 11.226 0.383 1.00 25.43 N ATOM 379 CA CYS A 21 3.378 11.948 0.003 1.00 10.23 C ATOM 380 C CYS A 21 3.428 13.316 0.677 1.00 33.01 C ATOM 381 O CYS A 21 2.604 14.194 0.416 1.00 64.14 O ATOM 382 CB CYS A 21 3.443 12.111 -1.516 1.00 24.10 C ATOM 383 SG CYS A 21 4.932 12.950 -2.104 1.00 54.41 S ATOM 0 H CYS A 21 1.453 11.190 -0.343 1.00 25.43 H new ATOM 0 HA CYS A 21 4.239 11.368 0.335 1.00 10.23 H new ATOM 0 HB2 CYS A 21 3.387 11.126 -1.979 1.00 24.10 H new ATOM 0 HB3 CYS A 21 2.568 12.670 -1.849 1.00 24.10 H new ATOM 388 N PRO A 22 4.415 13.503 1.565 1.00 11.12 N ATOM 389 CA PRO A 22 4.595 14.761 2.295 1.00 4.01 C ATOM 390 C PRO A 22 5.063 15.895 1.389 1.00 40.10 C ATOM 391 O PRO A 22 5.165 17.045 1.818 1.00 31.44 O ATOM 392 CB PRO A 22 5.673 14.421 3.327 1.00 2.01 C ATOM 393 CG PRO A 22 6.431 13.290 2.724 1.00 61.10 C ATOM 394 CD PRO A 22 5.431 12.500 1.925 1.00 51.42 C ATOM 0 HA PRO A 22 3.662 15.115 2.734 1.00 4.01 H new ATOM 0 HB2 PRO A 22 6.322 15.276 3.518 1.00 2.01 H new ATOM 0 HB3 PRO A 22 5.231 14.137 4.282 1.00 2.01 H new ATOM 0 HG2 PRO A 22 7.237 13.656 2.088 1.00 61.10 H new ATOM 0 HG3 PRO A 22 6.889 12.672 3.496 1.00 61.10 H new ATOM 0 HD2 PRO A 22 5.886 12.053 1.041 1.00 51.42 H new ATOM 0 HD3 PRO A 22 5.003 11.686 2.509 1.00 51.42 H new ATOM 402 N LYS A 23 5.346 15.564 0.134 1.00 52.11 N ATOM 403 CA LYS A 23 5.803 16.555 -0.834 1.00 30.23 C ATOM 404 C LYS A 23 4.619 17.225 -1.525 1.00 20.13 C ATOM 405 O LYS A 23 4.428 18.436 -1.414 1.00 3.11 O ATOM 406 CB LYS A 23 6.711 15.899 -1.876 1.00 65.43 C ATOM 407 CG LYS A 23 8.055 16.589 -2.031 1.00 62.42 C ATOM 408 CD LYS A 23 8.879 16.499 -0.757 1.00 32.45 C ATOM 409 CE LYS A 23 9.634 17.792 -0.489 1.00 71.53 C ATOM 410 NZ LYS A 23 8.859 18.716 0.383 1.00 1.42 N ATOM 0 H LYS A 23 5.267 14.617 -0.237 1.00 52.11 H new ATOM 0 HA LYS A 23 6.368 17.318 -0.298 1.00 30.23 H new ATOM 0 HB2 LYS A 23 6.876 14.858 -1.598 1.00 65.43 H new ATOM 0 HB3 LYS A 23 6.201 15.895 -2.839 1.00 65.43 H new ATOM 0 HG2 LYS A 23 8.606 16.134 -2.854 1.00 62.42 H new ATOM 0 HG3 LYS A 23 7.900 17.636 -2.292 1.00 62.42 H new ATOM 0 HD2 LYS A 23 8.225 16.277 0.086 1.00 32.45 H new ATOM 0 HD3 LYS A 23 9.586 15.673 -0.837 1.00 32.45 H new ATOM 0 HE2 LYS A 23 10.590 17.563 -0.017 1.00 71.53 H new ATOM 0 HE3 LYS A 23 9.856 18.286 -1.435 1.00 71.53 H new ATOM 0 HZ1 LYS A 23 9.408 19.585 0.542 1.00 1.42 H new ATOM 0 HZ2 LYS A 23 7.958 18.955 -0.078 1.00 1.42 H new ATOM 0 HZ3 LYS A 23 8.669 18.255 1.296 1.00 1.42 H new ATOM 424 N CYS A 24 3.829 16.429 -2.238 1.00 2.03 N ATOM 425 CA CYS A 24 2.663 16.946 -2.947 1.00 44.30 C ATOM 426 C CYS A 24 1.382 16.660 -2.168 1.00 70.04 C ATOM 427 O CYS A 24 0.468 17.482 -2.134 1.00 11.41 O ATOM 428 CB CYS A 24 2.575 16.328 -4.343 1.00 23.42 C ATOM 429 SG CYS A 24 2.547 14.520 -4.349 1.00 41.01 S ATOM 0 H CYS A 24 3.974 15.425 -2.340 1.00 2.03 H new ATOM 0 HA CYS A 24 2.775 18.026 -3.042 1.00 44.30 H new ATOM 0 HB2 CYS A 24 1.675 16.696 -4.836 1.00 23.42 H new ATOM 0 HB3 CYS A 24 3.425 16.670 -4.934 1.00 23.42 H new ATOM 434 N GLY A 25 1.325 15.487 -1.545 1.00 34.34 N ATOM 435 CA GLY A 25 0.150 15.113 -0.778 1.00 64.03 C ATOM 436 C GLY A 25 -0.499 13.844 -1.293 1.00 52.11 C ATOM 437 O GLY A 25 -1.156 13.125 -0.540 1.00 53.30 O ATOM 0 H GLY A 25 2.070 14.790 -1.557 1.00 34.34 H new ATOM 0 HA2 GLY A 25 0.430 14.976 0.266 1.00 64.03 H new ATOM 0 HA3 GLY A 25 -0.575 15.927 -0.809 1.00 64.03 H new ATOM 441 N GLU A 26 -0.317 13.569 -2.581 1.00 22.10 N ATOM 442 CA GLU A 26 -0.894 12.380 -3.197 1.00 24.41 C ATOM 443 C GLU A 26 -0.562 11.132 -2.383 1.00 35.30 C ATOM 444 O GLU A 26 0.542 10.994 -1.856 1.00 12.40 O ATOM 445 CB GLU A 26 -0.381 12.219 -4.629 1.00 50.20 C ATOM 446 CG GLU A 26 -1.034 11.076 -5.386 1.00 30.00 C ATOM 447 CD GLU A 26 -2.520 10.965 -5.105 1.00 31.12 C ATOM 448 OE1 GLU A 26 -3.221 11.994 -5.199 1.00 21.11 O ATOM 449 OE2 GLU A 26 -2.983 9.847 -4.792 1.00 52.21 O ATOM 0 H GLU A 26 0.225 14.153 -3.218 1.00 22.10 H new ATOM 0 HA GLU A 26 -1.977 12.503 -3.219 1.00 24.41 H new ATOM 0 HB2 GLU A 26 -0.551 13.148 -5.173 1.00 50.20 H new ATOM 0 HB3 GLU A 26 0.697 12.058 -4.604 1.00 50.20 H new ATOM 0 HG2 GLU A 26 -0.880 11.218 -6.456 1.00 30.00 H new ATOM 0 HG3 GLU A 26 -0.546 10.140 -5.115 1.00 30.00 H new ATOM 456 N LYS A 27 -1.527 10.224 -2.286 1.00 24.42 N ATOM 457 CA LYS A 27 -1.341 8.985 -1.538 1.00 40.43 C ATOM 458 C LYS A 27 -0.247 8.129 -2.168 1.00 72.42 C ATOM 459 O LYS A 27 -0.104 8.086 -3.391 1.00 71.13 O ATOM 460 CB LYS A 27 -2.651 8.197 -1.480 1.00 35.01 C ATOM 461 CG LYS A 27 -3.861 9.052 -1.142 1.00 43.14 C ATOM 462 CD LYS A 27 -4.810 8.326 -0.204 1.00 33.20 C ATOM 463 CE LYS A 27 -5.448 7.121 -0.879 1.00 72.12 C ATOM 464 NZ LYS A 27 -6.768 6.783 -0.279 1.00 11.15 N ATOM 0 H LYS A 27 -2.447 10.322 -2.716 1.00 24.42 H new ATOM 0 HA LYS A 27 -1.037 9.244 -0.524 1.00 40.43 H new ATOM 0 HB2 LYS A 27 -2.817 7.712 -2.442 1.00 35.01 H new ATOM 0 HB3 LYS A 27 -2.557 7.406 -0.736 1.00 35.01 H new ATOM 0 HG2 LYS A 27 -3.533 9.983 -0.680 1.00 43.14 H new ATOM 0 HG3 LYS A 27 -4.387 9.319 -2.059 1.00 43.14 H new ATOM 0 HD2 LYS A 27 -4.268 8.002 0.684 1.00 33.20 H new ATOM 0 HD3 LYS A 27 -5.589 9.012 0.130 1.00 33.20 H new ATOM 0 HE2 LYS A 27 -5.574 7.325 -1.942 1.00 72.12 H new ATOM 0 HE3 LYS A 27 -4.781 6.263 -0.796 1.00 72.12 H new ATOM 0 HZ1 LYS A 27 -7.170 5.957 -0.767 1.00 11.15 H new ATOM 0 HZ2 LYS A 27 -6.645 6.563 0.730 1.00 11.15 H new ATOM 0 HZ3 LYS A 27 -7.413 7.592 -0.381 1.00 11.15 H new ATOM 478 N THR A 28 0.523 7.445 -1.327 1.00 0.12 N ATOM 479 CA THR A 28 1.603 6.589 -1.802 1.00 14.03 C ATOM 480 C THR A 28 1.095 5.187 -2.114 1.00 63.42 C ATOM 481 O THR A 28 0.056 4.764 -1.606 1.00 64.34 O ATOM 482 CB THR A 28 2.739 6.494 -0.768 1.00 45.52 C ATOM 483 OG1 THR A 28 2.203 6.561 0.559 1.00 55.45 O ATOM 484 CG2 THR A 28 3.750 7.614 -0.969 1.00 33.15 C ATOM 0 H THR A 28 0.418 7.467 -0.313 1.00 0.12 H new ATOM 0 HA THR A 28 1.990 7.043 -2.714 1.00 14.03 H new ATOM 0 HB THR A 28 3.246 5.539 -0.906 1.00 45.52 H new ATOM 0 HG1 THR A 28 2.912 6.817 1.185 1.00 55.45 H new ATOM 0 HG21 THR A 28 4.543 7.526 -0.227 1.00 33.15 H new ATOM 0 HG22 THR A 28 4.179 7.542 -1.969 1.00 33.15 H new ATOM 0 HG23 THR A 28 3.253 8.577 -0.856 1.00 33.15 H new ATOM 492 N VAL A 29 1.835 4.466 -2.951 1.00 15.42 N ATOM 493 CA VAL A 29 1.462 3.109 -3.329 1.00 14.03 C ATOM 494 C VAL A 29 2.670 2.181 -3.312 1.00 51.44 C ATOM 495 O VAL A 29 3.809 2.626 -3.459 1.00 40.13 O ATOM 496 CB VAL A 29 0.819 3.073 -4.729 1.00 61.34 C ATOM 497 CG1 VAL A 29 -0.355 4.035 -4.803 1.00 13.22 C ATOM 498 CG2 VAL A 29 1.854 3.396 -5.797 1.00 0.22 C ATOM 0 H VAL A 29 2.698 4.800 -3.380 1.00 15.42 H new ATOM 0 HA VAL A 29 0.734 2.765 -2.594 1.00 14.03 H new ATOM 0 HB VAL A 29 0.443 2.067 -4.912 1.00 61.34 H new ATOM 0 HG11 VAL A 29 -0.796 3.995 -5.799 1.00 13.22 H new ATOM 0 HG12 VAL A 29 -1.104 3.753 -4.063 1.00 13.22 H new ATOM 0 HG13 VAL A 29 -0.008 5.048 -4.600 1.00 13.22 H new ATOM 0 HG21 VAL A 29 1.384 3.366 -6.780 1.00 0.22 H new ATOM 0 HG22 VAL A 29 2.262 4.391 -5.619 1.00 0.22 H new ATOM 0 HG23 VAL A 29 2.659 2.662 -5.758 1.00 0.22 H new ATOM 508 N ILE A 30 2.415 0.889 -3.132 1.00 3.21 N ATOM 509 CA ILE A 30 3.483 -0.102 -3.097 1.00 54.22 C ATOM 510 C ILE A 30 4.213 -0.171 -4.434 1.00 55.42 C ATOM 511 O ILE A 30 3.661 -0.594 -5.450 1.00 42.12 O ATOM 512 CB ILE A 30 2.942 -1.501 -2.748 1.00 42.21 C ATOM 513 CG1 ILE A 30 2.015 -1.424 -1.533 1.00 5.25 C ATOM 514 CG2 ILE A 30 4.090 -2.463 -2.485 1.00 63.41 C ATOM 515 CD1 ILE A 30 2.652 -0.770 -0.327 1.00 64.12 C ATOM 0 H ILE A 30 1.478 0.505 -3.008 1.00 3.21 H new ATOM 0 HA ILE A 30 4.180 0.213 -2.321 1.00 54.22 H new ATOM 0 HB ILE A 30 2.369 -1.875 -3.596 1.00 42.21 H new ATOM 0 HG12 ILE A 30 1.118 -0.869 -1.806 1.00 5.25 H new ATOM 0 HG13 ILE A 30 1.697 -2.431 -1.264 1.00 5.25 H new ATOM 0 HG21 ILE A 30 3.691 -3.447 -2.240 1.00 63.41 H new ATOM 0 HG22 ILE A 30 4.715 -2.536 -3.375 1.00 63.41 H new ATOM 0 HG23 ILE A 30 4.688 -2.096 -1.651 1.00 63.41 H new ATOM 0 HD11 ILE A 30 1.937 -0.750 0.496 1.00 64.12 H new ATOM 0 HD12 ILE A 30 3.533 -1.337 -0.028 1.00 64.12 H new ATOM 0 HD13 ILE A 30 2.945 0.249 -0.578 1.00 64.12 H new ATOM 527 N PRO A 31 5.486 0.253 -4.436 1.00 32.40 N ATOM 528 CA PRO A 31 6.320 0.248 -5.642 1.00 65.34 C ATOM 529 C PRO A 31 6.688 -1.164 -6.086 1.00 22.54 C ATOM 530 O PRO A 31 7.752 -1.678 -5.743 1.00 54.33 O ATOM 531 CB PRO A 31 7.572 1.014 -5.209 1.00 55.22 C ATOM 532 CG PRO A 31 7.635 0.836 -3.732 1.00 62.01 C ATOM 533 CD PRO A 31 6.208 0.770 -3.262 1.00 44.24 C ATOM 0 HA PRO A 31 5.806 0.690 -6.495 1.00 65.34 H new ATOM 0 HB2 PRO A 31 8.465 0.619 -5.693 1.00 55.22 H new ATOM 0 HB3 PRO A 31 7.504 2.068 -5.478 1.00 55.22 H new ATOM 0 HG2 PRO A 31 8.174 -0.075 -3.471 1.00 62.01 H new ATOM 0 HG3 PRO A 31 8.163 1.665 -3.261 1.00 62.01 H new ATOM 0 HD2 PRO A 31 6.099 0.111 -2.401 1.00 44.24 H new ATOM 0 HD3 PRO A 31 5.838 1.750 -2.962 1.00 44.24 H new ATOM 541 N LYS A 32 5.798 -1.789 -6.851 1.00 11.03 N ATOM 542 CA LYS A 32 6.028 -3.141 -7.344 1.00 61.14 C ATOM 543 C LYS A 32 7.259 -3.191 -8.244 1.00 45.33 C ATOM 544 O LYS A 32 7.716 -2.174 -8.767 1.00 33.44 O ATOM 545 CB LYS A 32 4.802 -3.643 -8.111 1.00 40.42 C ATOM 546 CG LYS A 32 3.934 -4.599 -7.313 1.00 32.12 C ATOM 547 CD LYS A 32 2.591 -4.826 -7.987 1.00 24.33 C ATOM 548 CE LYS A 32 1.633 -3.674 -7.725 1.00 45.30 C ATOM 549 NZ LYS A 32 0.951 -3.809 -6.407 1.00 15.21 N ATOM 0 H LYS A 32 4.910 -1.380 -7.143 1.00 11.03 H new ATOM 0 HA LYS A 32 6.201 -3.789 -6.485 1.00 61.14 H new ATOM 0 HB2 LYS A 32 4.200 -2.787 -8.416 1.00 40.42 H new ATOM 0 HB3 LYS A 32 5.133 -4.141 -9.022 1.00 40.42 H new ATOM 0 HG2 LYS A 32 4.451 -5.552 -7.199 1.00 32.12 H new ATOM 0 HG3 LYS A 32 3.777 -4.199 -6.311 1.00 32.12 H new ATOM 0 HD2 LYS A 32 2.737 -4.942 -9.061 1.00 24.33 H new ATOM 0 HD3 LYS A 32 2.153 -5.755 -7.623 1.00 24.33 H new ATOM 0 HE2 LYS A 32 2.181 -2.732 -7.756 1.00 45.30 H new ATOM 0 HE3 LYS A 32 0.886 -3.635 -8.518 1.00 45.30 H new ATOM 0 HZ1 LYS A 32 0.307 -3.005 -6.266 1.00 15.21 H new ATOM 0 HZ2 LYS A 32 0.408 -4.696 -6.386 1.00 15.21 H new ATOM 0 HZ3 LYS A 32 1.662 -3.821 -5.648 1.00 15.21 H new ATOM 563 N PRO A 33 7.809 -4.400 -8.430 1.00 41.33 N ATOM 564 CA PRO A 33 8.994 -4.610 -9.268 1.00 11.32 C ATOM 565 C PRO A 33 8.698 -4.408 -10.750 1.00 50.12 C ATOM 566 O PRO A 33 7.544 -4.325 -11.172 1.00 12.45 O ATOM 567 CB PRO A 33 9.370 -6.068 -8.991 1.00 52.21 C ATOM 568 CG PRO A 33 8.096 -6.713 -8.567 1.00 61.24 C ATOM 569 CD PRO A 33 7.318 -5.655 -7.836 1.00 41.32 C ATOM 0 HA PRO A 33 9.788 -3.900 -9.037 1.00 11.32 H new ATOM 0 HB2 PRO A 33 9.780 -6.547 -9.880 1.00 52.21 H new ATOM 0 HB3 PRO A 33 10.129 -6.140 -8.212 1.00 52.21 H new ATOM 0 HG2 PRO A 33 7.539 -7.081 -9.429 1.00 61.24 H new ATOM 0 HG3 PRO A 33 8.289 -7.571 -7.922 1.00 61.24 H new ATOM 0 HD2 PRO A 33 6.244 -5.774 -7.980 1.00 41.32 H new ATOM 0 HD3 PRO A 33 7.502 -5.691 -6.762 1.00 41.32 H new ATOM 577 N PRO A 34 9.763 -4.328 -11.562 1.00 62.02 N ATOM 578 CA PRO A 34 9.642 -4.137 -13.009 1.00 74.31 C ATOM 579 C PRO A 34 9.076 -5.367 -13.712 1.00 3.52 C ATOM 580 O PRO A 34 8.763 -6.370 -13.073 1.00 25.01 O ATOM 581 CB PRO A 34 11.084 -3.883 -13.455 1.00 61.23 C ATOM 582 CG PRO A 34 11.923 -4.550 -12.421 1.00 63.11 C ATOM 583 CD PRO A 34 11.167 -4.421 -11.127 1.00 12.51 C ATOM 0 HA PRO A 34 8.955 -3.327 -13.257 1.00 74.31 H new ATOM 0 HB2 PRO A 34 11.271 -4.299 -14.445 1.00 61.23 H new ATOM 0 HB3 PRO A 34 11.299 -2.816 -13.511 1.00 61.23 H new ATOM 0 HG2 PRO A 34 12.092 -5.597 -12.672 1.00 63.11 H new ATOM 0 HG3 PRO A 34 12.903 -4.078 -12.349 1.00 63.11 H new ATOM 0 HD2 PRO A 34 11.331 -5.281 -10.478 1.00 12.51 H new ATOM 0 HD3 PRO A 34 11.474 -3.537 -10.568 1.00 12.51 H new ATOM 591 N LYS A 35 8.947 -5.281 -15.032 1.00 23.04 N ATOM 592 CA LYS A 35 8.420 -6.387 -15.822 1.00 22.21 C ATOM 593 C LYS A 35 9.385 -7.567 -15.818 1.00 65.34 C ATOM 594 O LYS A 35 10.589 -7.398 -15.618 1.00 53.21 O ATOM 595 CB LYS A 35 8.159 -5.934 -17.261 1.00 41.23 C ATOM 596 CG LYS A 35 9.422 -5.571 -18.023 1.00 24.12 C ATOM 597 CD LYS A 35 9.138 -5.352 -19.500 1.00 0.43 C ATOM 598 CE LYS A 35 10.423 -5.164 -20.292 1.00 23.11 C ATOM 599 NZ LYS A 35 11.131 -6.455 -20.512 1.00 42.11 N ATOM 0 H LYS A 35 9.200 -4.457 -15.577 1.00 23.04 H new ATOM 0 HA LYS A 35 7.480 -6.707 -15.371 1.00 22.21 H new ATOM 0 HB2 LYS A 35 7.639 -6.729 -17.795 1.00 41.23 H new ATOM 0 HB3 LYS A 35 7.493 -5.071 -17.246 1.00 41.23 H new ATOM 0 HG2 LYS A 35 9.858 -4.667 -17.597 1.00 24.12 H new ATOM 0 HG3 LYS A 35 10.159 -6.366 -17.907 1.00 24.12 H new ATOM 0 HD2 LYS A 35 8.587 -6.205 -19.896 1.00 0.43 H new ATOM 0 HD3 LYS A 35 8.502 -4.476 -19.623 1.00 0.43 H new ATOM 0 HE2 LYS A 35 10.193 -4.707 -21.254 1.00 23.11 H new ATOM 0 HE3 LYS A 35 11.080 -4.475 -19.761 1.00 23.11 H new ATOM 0 HZ1 LYS A 35 11.975 -6.293 -21.098 1.00 42.11 H new ATOM 0 HZ2 LYS A 35 11.418 -6.854 -19.595 1.00 42.11 H new ATOM 0 HZ3 LYS A 35 10.496 -7.121 -20.996 1.00 42.11 H new ATOM 613 N PHE A 36 8.851 -8.764 -16.039 1.00 71.12 N ATOM 614 CA PHE A 36 9.666 -9.973 -16.062 1.00 43.24 C ATOM 615 C PHE A 36 9.749 -10.548 -17.472 1.00 31.23 C ATOM 616 O PHE A 36 10.727 -11.203 -17.831 1.00 51.54 O ATOM 617 CB PHE A 36 9.090 -11.019 -15.105 1.00 23.21 C ATOM 618 CG PHE A 36 7.645 -11.338 -15.366 1.00 65.15 C ATOM 619 CD1 PHE A 36 7.291 -12.282 -16.316 1.00 52.42 C ATOM 620 CD2 PHE A 36 6.643 -10.696 -14.659 1.00 1.12 C ATOM 621 CE1 PHE A 36 5.964 -12.577 -16.559 1.00 21.04 C ATOM 622 CE2 PHE A 36 5.312 -10.986 -14.896 1.00 63.45 C ATOM 623 CZ PHE A 36 4.972 -11.930 -15.846 1.00 53.43 C ATOM 0 H PHE A 36 7.857 -8.922 -16.205 1.00 71.12 H new ATOM 0 HA PHE A 36 10.673 -9.708 -15.738 1.00 43.24 H new ATOM 0 HB2 PHE A 36 9.676 -11.935 -15.184 1.00 23.21 H new ATOM 0 HB3 PHE A 36 9.196 -10.661 -14.081 1.00 23.21 H new ATOM 0 HD1 PHE A 36 8.062 -12.793 -16.873 1.00 52.42 H new ATOM 0 HD2 PHE A 36 6.904 -9.960 -13.913 1.00 1.12 H new ATOM 0 HE1 PHE A 36 5.701 -13.312 -17.305 1.00 21.04 H new ATOM 0 HE2 PHE A 36 4.540 -10.476 -14.340 1.00 63.45 H new ATOM 0 HZ PHE A 36 3.934 -12.162 -16.031 1.00 53.43 H new ATOM 633 N SER A 37 8.714 -10.299 -18.268 1.00 2.31 N ATOM 634 CA SER A 37 8.666 -10.795 -19.638 1.00 35.22 C ATOM 635 C SER A 37 8.349 -9.666 -20.614 1.00 14.03 C ATOM 636 O SER A 37 7.895 -8.592 -20.214 1.00 50.12 O ATOM 637 CB SER A 37 7.620 -11.903 -19.767 1.00 25.04 C ATOM 638 OG SER A 37 8.160 -13.160 -19.397 1.00 74.34 O ATOM 0 H SER A 37 7.897 -9.756 -17.987 1.00 2.31 H new ATOM 0 HA SER A 37 9.647 -11.201 -19.884 1.00 35.22 H new ATOM 0 HB2 SER A 37 6.762 -11.672 -19.136 1.00 25.04 H new ATOM 0 HB3 SER A 37 7.258 -11.947 -20.794 1.00 25.04 H new ATOM 0 HG SER A 37 7.471 -13.851 -19.487 1.00 74.34 H new ATOM 644 N LEU A 38 8.591 -9.915 -21.897 1.00 22.24 N ATOM 645 CA LEU A 38 8.332 -8.920 -22.931 1.00 21.45 C ATOM 646 C LEU A 38 6.860 -8.521 -22.946 1.00 14.14 C ATOM 647 O LEU A 38 6.511 -7.413 -23.354 1.00 74.51 O ATOM 648 CB LEU A 38 8.738 -9.464 -24.302 1.00 1.33 C ATOM 649 CG LEU A 38 10.189 -9.219 -24.718 1.00 11.03 C ATOM 650 CD1 LEU A 38 10.474 -7.728 -24.808 1.00 44.23 C ATOM 651 CD2 LEU A 38 11.143 -9.889 -23.740 1.00 75.23 C ATOM 0 H LEU A 38 8.966 -10.797 -22.245 1.00 22.24 H new ATOM 0 HA LEU A 38 8.927 -8.035 -22.707 1.00 21.45 H new ATOM 0 HB2 LEU A 38 8.554 -10.538 -24.313 1.00 1.33 H new ATOM 0 HB3 LEU A 38 8.085 -9.021 -25.054 1.00 1.33 H new ATOM 0 HG LEU A 38 10.344 -9.657 -25.704 1.00 11.03 H new ATOM 0 HD11 LEU A 38 11.511 -7.573 -25.105 1.00 44.23 H new ATOM 0 HD12 LEU A 38 9.813 -7.275 -25.547 1.00 44.23 H new ATOM 0 HD13 LEU A 38 10.302 -7.265 -23.836 1.00 44.23 H new ATOM 0 HD21 LEU A 38 12.171 -9.705 -24.051 1.00 75.23 H new ATOM 0 HD22 LEU A 38 10.987 -9.480 -22.742 1.00 75.23 H new ATOM 0 HD23 LEU A 38 10.955 -10.963 -23.726 1.00 75.23 H new ATOM 663 N GLU A 39 6.000 -9.429 -22.495 1.00 65.44 N ATOM 664 CA GLU A 39 4.566 -9.170 -22.455 1.00 14.13 C ATOM 665 C GLU A 39 4.022 -9.335 -21.039 1.00 72.32 C ATOM 666 O GLU A 39 4.088 -10.419 -20.460 1.00 62.10 O ATOM 667 CB GLU A 39 3.828 -10.112 -23.410 1.00 54.44 C ATOM 668 CG GLU A 39 4.206 -11.573 -23.236 1.00 74.11 C ATOM 669 CD GLU A 39 3.578 -12.467 -24.288 1.00 75.11 C ATOM 670 OE1 GLU A 39 3.455 -12.023 -25.449 1.00 21.15 O ATOM 671 OE2 GLU A 39 3.210 -13.611 -23.949 1.00 34.14 O ATOM 0 H GLU A 39 6.272 -10.350 -22.152 1.00 65.44 H new ATOM 0 HA GLU A 39 4.400 -8.140 -22.771 1.00 14.13 H new ATOM 0 HB2 GLU A 39 2.754 -10.003 -23.257 1.00 54.44 H new ATOM 0 HB3 GLU A 39 4.036 -9.811 -24.437 1.00 54.44 H new ATOM 0 HG2 GLU A 39 5.291 -11.672 -23.281 1.00 74.11 H new ATOM 0 HG3 GLU A 39 3.896 -11.909 -22.247 1.00 74.11 H new ATOM 678 N ASP A 40 3.485 -8.252 -20.488 1.00 70.33 N ATOM 679 CA ASP A 40 2.929 -8.276 -19.140 1.00 12.04 C ATOM 680 C ASP A 40 1.477 -7.810 -19.143 1.00 31.02 C ATOM 681 O ASP A 40 1.065 -7.034 -20.006 1.00 71.44 O ATOM 682 CB ASP A 40 3.759 -7.393 -18.207 1.00 61.44 C ATOM 683 CG ASP A 40 4.986 -8.107 -17.676 1.00 45.43 C ATOM 684 OD1 ASP A 40 5.415 -9.097 -18.303 1.00 71.14 O ATOM 685 OD2 ASP A 40 5.518 -7.675 -16.630 1.00 72.34 O ATOM 0 H ASP A 40 3.423 -7.347 -20.954 1.00 70.33 H new ATOM 0 HA ASP A 40 2.961 -9.304 -18.779 1.00 12.04 H new ATOM 0 HB2 ASP A 40 4.068 -6.494 -18.741 1.00 61.44 H new ATOM 0 HB3 ASP A 40 3.139 -7.070 -17.370 1.00 61.44 H new ATOM 690 N ARG A 41 0.705 -8.288 -18.172 1.00 14.22 N ATOM 691 CA ARG A 41 -0.703 -7.922 -18.065 1.00 73.03 C ATOM 692 C ARG A 41 -0.862 -6.412 -17.917 1.00 54.31 C ATOM 693 O ARG A 41 -1.391 -5.744 -18.806 1.00 13.24 O ATOM 694 CB ARG A 41 -1.347 -8.632 -16.873 1.00 63.10 C ATOM 695 CG ARG A 41 -2.866 -8.607 -16.898 1.00 63.33 C ATOM 696 CD ARG A 41 -3.417 -7.431 -16.108 1.00 32.12 C ATOM 697 NE ARG A 41 -3.644 -7.770 -14.706 1.00 43.32 N ATOM 698 CZ ARG A 41 -4.341 -7.010 -13.868 1.00 34.33 C ATOM 699 NH1 ARG A 41 -4.877 -5.874 -14.290 1.00 32.44 N ATOM 700 NH2 ARG A 41 -4.503 -7.387 -12.607 1.00 44.32 N ATOM 0 H ARG A 41 1.030 -8.929 -17.449 1.00 14.22 H new ATOM 0 HA ARG A 41 -1.205 -8.235 -18.981 1.00 73.03 H new ATOM 0 HB2 ARG A 41 -1.009 -9.668 -16.852 1.00 63.10 H new ATOM 0 HB3 ARG A 41 -0.999 -8.165 -15.952 1.00 63.10 H new ATOM 0 HG2 ARG A 41 -3.213 -8.548 -17.930 1.00 63.33 H new ATOM 0 HG3 ARG A 41 -3.253 -9.538 -16.484 1.00 63.33 H new ATOM 0 HD2 ARG A 41 -2.721 -6.595 -16.170 1.00 32.12 H new ATOM 0 HD3 ARG A 41 -4.354 -7.100 -16.557 1.00 32.12 H new ATOM 0 HE ARG A 41 -3.245 -8.639 -14.350 1.00 43.32 H new ATOM 0 HH11 ARG A 41 -4.755 -5.582 -15.260 1.00 32.44 H new ATOM 0 HH12 ARG A 41 -5.412 -5.292 -13.645 1.00 32.44 H new ATOM 0 HH21 ARG A 41 -4.092 -8.261 -12.279 1.00 44.32 H new ATOM 0 HH22 ARG A 41 -5.038 -6.803 -11.965 1.00 44.32 H new ATOM 714 N TRP A 42 -0.400 -5.881 -16.791 1.00 12.33 N ATOM 715 CA TRP A 42 -0.491 -4.449 -16.527 1.00 10.23 C ATOM 716 C TRP A 42 0.844 -3.761 -16.788 1.00 24.12 C ATOM 717 O TRP A 42 0.893 -2.561 -17.055 1.00 24.14 O ATOM 718 CB TRP A 42 -0.933 -4.204 -15.084 1.00 13.54 C ATOM 719 CG TRP A 42 -1.758 -2.962 -14.918 1.00 51.31 C ATOM 720 CD1 TRP A 42 -3.089 -2.821 -15.184 1.00 22.55 C ATOM 721 CD2 TRP A 42 -1.303 -1.687 -14.452 1.00 31.41 C ATOM 722 NE1 TRP A 42 -3.491 -1.536 -14.911 1.00 61.13 N ATOM 723 CE2 TRP A 42 -2.413 -0.821 -14.459 1.00 15.01 C ATOM 724 CE3 TRP A 42 -0.066 -1.194 -14.026 1.00 21.31 C ATOM 725 CZ2 TRP A 42 -2.321 0.510 -14.059 1.00 12.11 C ATOM 726 CZ3 TRP A 42 0.023 0.127 -13.630 1.00 2.21 C ATOM 727 CH2 TRP A 42 -1.098 0.966 -13.647 1.00 31.24 C ATOM 0 H TRP A 42 0.041 -6.420 -16.046 1.00 12.33 H new ATOM 0 HA TRP A 42 -1.233 -4.026 -17.204 1.00 10.23 H new ATOM 0 HB2 TRP A 42 -1.508 -5.063 -14.737 1.00 13.54 H new ATOM 0 HB3 TRP A 42 -0.050 -4.133 -14.448 1.00 13.54 H new ATOM 0 HD1 TRP A 42 -3.732 -3.605 -15.555 1.00 22.55 H new ATOM 0 HE1 TRP A 42 -4.437 -1.173 -15.026 1.00 61.13 H new ATOM 0 HE3 TRP A 42 0.804 -1.834 -14.007 1.00 21.31 H new ATOM 0 HZ2 TRP A 42 -3.184 1.159 -14.073 1.00 12.11 H new ATOM 0 HZ3 TRP A 42 0.974 0.519 -13.302 1.00 2.21 H new ATOM 0 HH2 TRP A 42 -0.996 1.993 -13.329 1.00 31.24 H new ATOM 738 N GLY A 43 1.926 -4.530 -16.708 1.00 12.20 N ATOM 739 CA GLY A 43 3.248 -3.975 -16.938 1.00 1.13 C ATOM 740 C GLY A 43 3.357 -3.272 -18.276 1.00 5.44 C ATOM 741 O GLY A 43 4.156 -2.349 -18.438 1.00 24.04 O ATOM 0 H GLY A 43 1.911 -5.526 -16.488 1.00 12.20 H new ATOM 0 HA2 GLY A 43 3.487 -3.271 -16.141 1.00 1.13 H new ATOM 0 HA3 GLY A 43 3.988 -4.774 -16.890 1.00 1.13 H new ATOM 745 N LYS A 44 2.553 -3.708 -19.240 1.00 2.43 N ATOM 746 CA LYS A 44 2.561 -3.115 -20.571 1.00 51.31 C ATOM 747 C LYS A 44 2.008 -1.694 -20.537 1.00 52.33 C ATOM 748 O LYS A 44 2.417 -0.839 -21.324 1.00 33.43 O ATOM 749 CB LYS A 44 1.740 -3.970 -21.539 1.00 2.45 C ATOM 750 CG LYS A 44 0.310 -4.202 -21.081 1.00 32.32 C ATOM 751 CD LYS A 44 -0.498 -4.947 -22.131 1.00 64.15 C ATOM 752 CE LYS A 44 -1.150 -3.991 -23.116 1.00 41.34 C ATOM 753 NZ LYS A 44 -1.995 -4.708 -24.110 1.00 23.03 N ATOM 0 H LYS A 44 1.887 -4.471 -19.123 1.00 2.43 H new ATOM 0 HA LYS A 44 3.594 -3.076 -20.917 1.00 51.31 H new ATOM 0 HB2 LYS A 44 1.726 -3.487 -22.516 1.00 2.45 H new ATOM 0 HB3 LYS A 44 2.233 -4.934 -21.667 1.00 2.45 H new ATOM 0 HG2 LYS A 44 0.313 -4.771 -20.151 1.00 32.32 H new ATOM 0 HG3 LYS A 44 -0.165 -3.244 -20.867 1.00 32.32 H new ATOM 0 HD2 LYS A 44 0.152 -5.638 -22.669 1.00 64.15 H new ATOM 0 HD3 LYS A 44 -1.266 -5.547 -21.642 1.00 64.15 H new ATOM 0 HE2 LYS A 44 -1.761 -3.271 -22.572 1.00 41.34 H new ATOM 0 HE3 LYS A 44 -0.378 -3.425 -23.637 1.00 41.34 H new ATOM 0 HZ1 LYS A 44 -2.422 -4.020 -24.763 1.00 23.03 H new ATOM 0 HZ2 LYS A 44 -1.407 -5.377 -24.647 1.00 23.03 H new ATOM 0 HZ3 LYS A 44 -2.747 -5.228 -23.615 1.00 23.03 H new ATOM 767 N TYR A 45 1.079 -1.447 -19.620 1.00 42.04 N ATOM 768 CA TYR A 45 0.470 -0.129 -19.485 1.00 5.31 C ATOM 769 C TYR A 45 1.529 0.936 -19.217 1.00 55.22 C ATOM 770 O TYR A 45 1.329 2.114 -19.514 1.00 31.31 O ATOM 771 CB TYR A 45 -0.561 -0.135 -18.354 1.00 40.41 C ATOM 772 CG TYR A 45 -1.238 1.201 -18.146 1.00 44.12 C ATOM 773 CD1 TYR A 45 -0.690 2.155 -17.297 1.00 52.15 C ATOM 774 CD2 TYR A 45 -2.425 1.510 -18.798 1.00 41.31 C ATOM 775 CE1 TYR A 45 -1.306 3.377 -17.103 1.00 62.24 C ATOM 776 CE2 TYR A 45 -3.047 2.730 -18.611 1.00 61.25 C ATOM 777 CZ TYR A 45 -2.483 3.659 -17.762 1.00 55.01 C ATOM 778 OH TYR A 45 -3.098 4.875 -17.573 1.00 21.15 O ATOM 0 H TYR A 45 0.731 -2.142 -18.959 1.00 42.04 H new ATOM 0 HA TYR A 45 -0.030 0.110 -20.423 1.00 5.31 H new ATOM 0 HB2 TYR A 45 -1.319 -0.888 -18.569 1.00 40.41 H new ATOM 0 HB3 TYR A 45 -0.070 -0.432 -17.427 1.00 40.41 H new ATOM 0 HD1 TYR A 45 0.233 1.938 -16.780 1.00 52.15 H new ATOM 0 HD2 TYR A 45 -2.870 0.784 -19.463 1.00 41.31 H new ATOM 0 HE1 TYR A 45 -0.867 4.107 -16.439 1.00 62.24 H new ATOM 0 HE2 TYR A 45 -3.969 2.954 -19.127 1.00 61.25 H new ATOM 0 HH TYR A 45 -3.916 4.915 -18.111 1.00 21.15 H new ATOM 788 N ARG A 46 2.657 0.512 -18.656 1.00 15.03 N ATOM 789 CA ARG A 46 3.748 1.428 -18.348 1.00 3.32 C ATOM 790 C ARG A 46 4.129 2.251 -19.574 1.00 55.12 C ATOM 791 O ARG A 46 4.566 3.396 -19.454 1.00 54.30 O ATOM 792 CB ARG A 46 4.965 0.653 -17.841 1.00 71.35 C ATOM 793 CG ARG A 46 6.211 1.509 -17.684 1.00 54.23 C ATOM 794 CD ARG A 46 7.050 1.062 -16.498 1.00 23.14 C ATOM 795 NE ARG A 46 8.427 0.764 -16.881 1.00 31.21 N ATOM 796 CZ ARG A 46 8.784 -0.326 -17.551 1.00 41.33 C ATOM 797 NH1 ARG A 46 7.870 -1.216 -17.911 1.00 72.23 N ATOM 798 NH2 ARG A 46 10.058 -0.525 -17.863 1.00 33.31 N ATOM 0 H ARG A 46 2.839 -0.460 -18.406 1.00 15.03 H new ATOM 0 HA ARG A 46 3.409 2.108 -17.567 1.00 3.32 H new ATOM 0 HB2 ARG A 46 4.722 0.200 -16.880 1.00 71.35 H new ATOM 0 HB3 ARG A 46 5.179 -0.162 -18.532 1.00 71.35 H new ATOM 0 HG2 ARG A 46 6.808 1.454 -18.594 1.00 54.23 H new ATOM 0 HG3 ARG A 46 5.923 2.552 -17.554 1.00 54.23 H new ATOM 0 HD2 ARG A 46 7.047 1.843 -15.737 1.00 23.14 H new ATOM 0 HD3 ARG A 46 6.599 0.177 -16.049 1.00 23.14 H new ATOM 0 HE ARG A 46 9.155 1.429 -16.620 1.00 31.21 H new ATOM 0 HH11 ARG A 46 6.890 -1.065 -17.674 1.00 72.23 H new ATOM 0 HH12 ARG A 46 8.147 -2.052 -18.425 1.00 72.23 H new ATOM 0 HH21 ARG A 46 10.763 0.159 -17.588 1.00 33.31 H new ATOM 0 HH22 ARG A 46 10.332 -1.362 -18.377 1.00 33.31 H new ATOM 812 N ARG A 47 3.962 1.660 -20.753 1.00 0.24 N ATOM 813 CA ARG A 47 4.290 2.338 -22.001 1.00 41.11 C ATOM 814 C ARG A 47 3.468 3.614 -22.159 1.00 74.53 C ATOM 815 O ARG A 47 3.935 4.598 -22.733 1.00 24.20 O ATOM 816 CB ARG A 47 4.044 1.409 -23.191 1.00 51.05 C ATOM 817 CG ARG A 47 5.250 0.559 -23.559 1.00 35.32 C ATOM 818 CD ARG A 47 4.942 -0.369 -24.724 1.00 65.43 C ATOM 819 NE ARG A 47 4.905 0.344 -25.998 1.00 24.23 N ATOM 820 CZ ARG A 47 5.987 0.816 -26.608 1.00 25.10 C ATOM 821 NH1 ARG A 47 7.184 0.651 -26.063 1.00 25.21 N ATOM 822 NH2 ARG A 47 5.872 1.455 -27.764 1.00 35.32 N ATOM 0 H ARG A 47 3.601 0.713 -20.870 1.00 0.24 H new ATOM 0 HA ARG A 47 5.346 2.608 -21.972 1.00 41.11 H new ATOM 0 HB2 ARG A 47 3.204 0.753 -22.962 1.00 51.05 H new ATOM 0 HB3 ARG A 47 3.755 2.008 -24.055 1.00 51.05 H new ATOM 0 HG2 ARG A 47 6.087 1.207 -23.820 1.00 35.32 H new ATOM 0 HG3 ARG A 47 5.559 -0.030 -22.695 1.00 35.32 H new ATOM 0 HD2 ARG A 47 5.696 -1.155 -24.770 1.00 65.43 H new ATOM 0 HD3 ARG A 47 3.983 -0.858 -24.554 1.00 65.43 H new ATOM 0 HE ARG A 47 3.999 0.488 -26.444 1.00 24.23 H new ATOM 0 HH11 ARG A 47 7.276 0.161 -25.173 1.00 25.21 H new ATOM 0 HH12 ARG A 47 8.013 1.014 -26.533 1.00 25.21 H new ATOM 0 HH21 ARG A 47 4.952 1.585 -28.186 1.00 35.32 H new ATOM 0 HH22 ARG A 47 6.703 1.817 -28.232 1.00 35.32 H new ATOM 836 N MET A 48 2.242 3.588 -21.648 1.00 14.43 N ATOM 837 CA MET A 48 1.354 4.742 -21.733 1.00 10.31 C ATOM 838 C MET A 48 1.497 5.629 -20.500 1.00 55.13 C ATOM 839 O MET A 48 1.194 6.823 -20.543 1.00 2.30 O ATOM 840 CB MET A 48 -0.099 4.287 -21.882 1.00 53.13 C ATOM 841 CG MET A 48 -0.461 3.866 -23.298 1.00 64.33 C ATOM 842 SD MET A 48 -0.473 5.250 -24.453 1.00 4.40 S ATOM 843 CE MET A 48 1.153 5.092 -25.188 1.00 41.32 C ATOM 0 H MET A 48 1.840 2.781 -21.171 1.00 14.43 H new ATOM 0 HA MET A 48 1.637 5.322 -22.612 1.00 10.31 H new ATOM 0 HB2 MET A 48 -0.281 3.452 -21.205 1.00 53.13 H new ATOM 0 HB3 MET A 48 -0.759 5.098 -21.573 1.00 53.13 H new ATOM 0 HG2 MET A 48 0.251 3.116 -23.643 1.00 64.33 H new ATOM 0 HG3 MET A 48 -1.443 3.394 -23.292 1.00 64.33 H new ATOM 0 HE1 MET A 48 1.668 6.052 -25.142 1.00 41.32 H new ATOM 0 HE2 MET A 48 1.728 4.345 -24.641 1.00 41.32 H new ATOM 0 HE3 MET A 48 1.053 4.783 -26.229 1.00 41.32 H new ATOM 853 N LEU A 49 1.958 5.040 -19.404 1.00 64.24 N ATOM 854 CA LEU A 49 2.141 5.776 -18.157 1.00 52.32 C ATOM 855 C LEU A 49 2.965 7.039 -18.388 1.00 2.12 C ATOM 856 O LEU A 49 2.431 8.149 -18.401 1.00 30.14 O ATOM 857 CB LEU A 49 2.824 4.892 -17.114 1.00 22.41 C ATOM 858 CG LEU A 49 3.246 5.585 -15.817 1.00 35.22 C ATOM 859 CD1 LEU A 49 2.025 5.961 -14.992 1.00 51.22 C ATOM 860 CD2 LEU A 49 4.180 4.692 -15.015 1.00 43.15 C ATOM 0 H LEU A 49 2.213 4.054 -19.352 1.00 64.24 H new ATOM 0 HA LEU A 49 1.158 6.067 -17.788 1.00 52.32 H new ATOM 0 HB2 LEU A 49 2.149 4.074 -16.862 1.00 22.41 H new ATOM 0 HB3 LEU A 49 3.709 4.446 -17.568 1.00 22.41 H new ATOM 0 HG LEU A 49 3.782 6.499 -16.073 1.00 35.22 H new ATOM 0 HD11 LEU A 49 2.344 6.453 -14.073 1.00 51.22 H new ATOM 0 HD12 LEU A 49 1.393 6.639 -15.566 1.00 51.22 H new ATOM 0 HD13 LEU A 49 1.462 5.061 -14.745 1.00 51.22 H new ATOM 0 HD21 LEU A 49 4.470 5.201 -14.096 1.00 43.15 H new ATOM 0 HD22 LEU A 49 3.670 3.761 -14.769 1.00 43.15 H new ATOM 0 HD23 LEU A 49 5.070 4.473 -15.605 1.00 43.15 H new ATOM 872 N LYS A 50 4.269 6.864 -18.570 1.00 73.54 N ATOM 873 CA LYS A 50 5.168 7.987 -18.804 1.00 40.45 C ATOM 874 C LYS A 50 4.895 8.629 -20.161 1.00 44.35 C ATOM 875 O LYS A 50 5.172 8.038 -21.204 1.00 55.25 O ATOM 876 CB LYS A 50 6.625 7.526 -18.730 1.00 63.22 C ATOM 877 CG LYS A 50 6.914 6.610 -17.553 1.00 70.12 C ATOM 878 CD LYS A 50 8.395 6.285 -17.449 1.00 73.43 C ATOM 879 CE LYS A 50 9.192 7.472 -16.932 1.00 12.24 C ATOM 880 NZ LYS A 50 10.601 7.103 -16.623 1.00 13.33 N ATOM 0 H LYS A 50 4.728 5.953 -18.560 1.00 73.54 H new ATOM 0 HA LYS A 50 4.989 8.730 -18.027 1.00 40.45 H new ATOM 0 HB2 LYS A 50 6.881 7.008 -19.654 1.00 63.22 H new ATOM 0 HB3 LYS A 50 7.271 8.401 -18.666 1.00 63.22 H new ATOM 0 HG2 LYS A 50 6.579 7.085 -16.631 1.00 70.12 H new ATOM 0 HG3 LYS A 50 6.345 5.687 -17.661 1.00 70.12 H new ATOM 0 HD2 LYS A 50 8.536 5.433 -16.783 1.00 73.43 H new ATOM 0 HD3 LYS A 50 8.773 5.990 -18.428 1.00 73.43 H new ATOM 0 HE2 LYS A 50 9.180 8.269 -17.676 1.00 12.24 H new ATOM 0 HE3 LYS A 50 8.715 7.866 -16.035 1.00 12.24 H new ATOM 0 HZ1 LYS A 50 11.110 7.940 -16.273 1.00 13.33 H new ATOM 0 HZ2 LYS A 50 10.614 6.361 -15.895 1.00 13.33 H new ATOM 0 HZ3 LYS A 50 11.065 6.751 -17.485 1.00 13.33 H new ATOM 894 N ARG A 51 4.353 9.843 -20.137 1.00 55.23 N ATOM 895 CA ARG A 51 4.045 10.564 -21.366 1.00 2.24 C ATOM 896 C ARG A 51 5.321 11.053 -22.046 1.00 4.14 C ATOM 897 O ARG A 51 6.239 11.539 -21.387 1.00 1.20 O ATOM 898 CB ARG A 51 3.126 11.751 -21.068 1.00 52.41 C ATOM 899 CG ARG A 51 2.224 12.130 -22.231 1.00 42.33 C ATOM 900 CD ARG A 51 1.467 13.419 -21.951 1.00 75.34 C ATOM 901 NE ARG A 51 0.605 13.800 -23.067 1.00 73.11 N ATOM 902 CZ ARG A 51 -0.119 14.914 -23.090 1.00 43.45 C ATOM 903 NH1 ARG A 51 -0.082 15.753 -22.064 1.00 24.21 N ATOM 904 NH2 ARG A 51 -0.878 15.192 -24.141 1.00 11.10 N ATOM 0 H ARG A 51 4.119 10.347 -19.281 1.00 55.23 H new ATOM 0 HA ARG A 51 3.535 9.878 -22.042 1.00 2.24 H new ATOM 0 HB2 ARG A 51 2.508 11.513 -20.202 1.00 52.41 H new ATOM 0 HB3 ARG A 51 3.736 12.613 -20.796 1.00 52.41 H new ATOM 0 HG2 ARG A 51 2.823 12.247 -23.134 1.00 42.33 H new ATOM 0 HG3 ARG A 51 1.515 11.324 -22.421 1.00 42.33 H new ATOM 0 HD2 ARG A 51 0.863 13.297 -21.052 1.00 75.34 H new ATOM 0 HD3 ARG A 51 2.178 14.221 -21.751 1.00 75.34 H new ATOM 0 HE ARG A 51 0.556 13.177 -23.873 1.00 73.11 H new ATOM 0 HH11 ARG A 51 0.503 15.544 -21.255 1.00 24.21 H new ATOM 0 HH12 ARG A 51 -0.639 16.608 -22.084 1.00 24.21 H new ATOM 0 HH21 ARG A 51 -0.907 14.550 -24.933 1.00 11.10 H new ATOM 0 HH22 ARG A 51 -1.433 16.048 -24.157 1.00 11.10 H new ATOM 918 N ALA A 52 5.370 10.919 -23.367 1.00 32.54 N ATOM 919 CA ALA A 52 6.531 11.348 -24.135 1.00 52.14 C ATOM 920 C ALA A 52 6.539 12.862 -24.320 1.00 71.11 C ATOM 921 O ALA A 52 7.547 13.523 -24.066 1.00 74.13 O ATOM 922 CB ALA A 52 6.558 10.649 -25.487 1.00 23.43 C ATOM 0 H ALA A 52 4.619 10.517 -23.927 1.00 32.54 H new ATOM 0 HA ALA A 52 7.426 11.072 -23.577 1.00 52.14 H new ATOM 0 HB1 ALA A 52 7.431 10.979 -26.050 1.00 23.43 H new ATOM 0 HB2 ALA A 52 6.609 9.570 -25.338 1.00 23.43 H new ATOM 0 HB3 ALA A 52 5.653 10.896 -26.042 1.00 23.43 H new ATOM 928 N LEU A 53 5.411 13.404 -24.764 1.00 33.33 N ATOM 929 CA LEU A 53 5.288 14.841 -24.985 1.00 2.24 C ATOM 930 C LEU A 53 5.317 15.599 -23.661 1.00 22.24 C ATOM 931 O LEU A 53 4.700 15.182 -22.680 1.00 61.54 O ATOM 932 CB LEU A 53 3.992 15.153 -25.736 1.00 1.10 C ATOM 933 CG LEU A 53 4.120 16.097 -26.932 1.00 51.21 C ATOM 934 CD1 LEU A 53 4.950 15.454 -28.032 1.00 55.11 C ATOM 935 CD2 LEU A 53 2.745 16.485 -27.455 1.00 63.24 C ATOM 0 H LEU A 53 4.568 12.871 -24.978 1.00 33.33 H new ATOM 0 HA LEU A 53 6.136 15.165 -25.588 1.00 2.24 H new ATOM 0 HB2 LEU A 53 3.562 14.214 -26.084 1.00 1.10 H new ATOM 0 HB3 LEU A 53 3.282 15.586 -25.031 1.00 1.10 H new ATOM 0 HG LEU A 53 4.629 17.003 -26.603 1.00 51.21 H new ATOM 0 HD11 LEU A 53 5.031 16.140 -28.875 1.00 55.11 H new ATOM 0 HD12 LEU A 53 5.946 15.228 -27.651 1.00 55.11 H new ATOM 0 HD13 LEU A 53 4.469 14.532 -28.359 1.00 55.11 H new ATOM 0 HD21 LEU A 53 2.856 17.157 -28.306 1.00 63.24 H new ATOM 0 HD22 LEU A 53 2.208 15.589 -27.768 1.00 63.24 H new ATOM 0 HD23 LEU A 53 2.184 16.987 -26.667 1.00 63.24 H new ATOM 947 N LYS A 54 6.035 16.717 -23.640 1.00 73.23 N ATOM 948 CA LYS A 54 6.143 17.536 -22.439 1.00 72.52 C ATOM 949 C LYS A 54 5.060 18.610 -22.415 1.00 31.13 C ATOM 950 O LYS A 54 4.622 19.039 -21.349 1.00 1.10 O ATOM 951 CB LYS A 54 7.525 18.189 -22.364 1.00 61.33 C ATOM 952 CG LYS A 54 7.661 19.198 -21.237 1.00 32.04 C ATOM 953 CD LYS A 54 7.460 18.547 -19.879 1.00 15.25 C ATOM 954 CE LYS A 54 7.976 19.433 -18.756 1.00 2.50 C ATOM 955 NZ LYS A 54 8.395 18.637 -17.569 1.00 63.32 N ATOM 0 H LYS A 54 6.551 17.077 -24.443 1.00 73.23 H new ATOM 0 HA LYS A 54 6.007 16.887 -21.574 1.00 72.52 H new ATOM 0 HB2 LYS A 54 8.278 17.412 -22.237 1.00 61.33 H new ATOM 0 HB3 LYS A 54 7.735 18.685 -23.312 1.00 61.33 H new ATOM 0 HG2 LYS A 54 8.648 19.660 -21.278 1.00 32.04 H new ATOM 0 HG3 LYS A 54 6.930 19.995 -21.371 1.00 32.04 H new ATOM 0 HD2 LYS A 54 6.400 18.343 -19.725 1.00 15.25 H new ATOM 0 HD3 LYS A 54 7.977 17.588 -19.854 1.00 15.25 H new ATOM 0 HE2 LYS A 54 8.821 20.020 -19.116 1.00 2.50 H new ATOM 0 HE3 LYS A 54 7.198 20.139 -18.464 1.00 2.50 H new ATOM 0 HZ1 LYS A 54 8.740 19.277 -16.826 1.00 63.32 H new ATOM 0 HZ2 LYS A 54 7.583 18.096 -17.210 1.00 63.32 H new ATOM 0 HZ3 LYS A 54 9.155 17.981 -17.841 1.00 63.32 H new ATOM 969 N ASN A 55 4.632 19.040 -23.598 1.00 71.14 N ATOM 970 CA ASN A 55 3.600 20.063 -23.712 1.00 13.33 C ATOM 971 C ASN A 55 2.263 19.549 -23.187 1.00 63.21 C ATOM 972 O ASN A 55 1.723 18.562 -23.691 1.00 50.53 O ATOM 973 CB ASN A 55 3.451 20.508 -25.168 1.00 71.44 C ATOM 974 CG ASN A 55 2.980 21.944 -25.290 1.00 51.11 C ATOM 975 OD1 ASN A 55 1.848 22.205 -25.696 1.00 32.44 O ATOM 976 ND2 ASN A 55 3.849 22.883 -24.936 1.00 1.41 N ATOM 0 H ASN A 55 4.984 18.695 -24.491 1.00 71.14 H new ATOM 0 HA ASN A 55 3.904 20.917 -23.107 1.00 13.33 H new ATOM 0 HB2 ASN A 55 4.408 20.398 -25.678 1.00 71.44 H new ATOM 0 HB3 ASN A 55 2.743 19.852 -25.674 1.00 71.44 H new ATOM 0 HD21 ASN A 55 3.588 23.867 -24.995 1.00 1.41 H new ATOM 0 HD22 ASN A 55 4.777 22.620 -24.605 1.00 1.41 H new ATOM 983 N LYS A 56 1.733 20.222 -22.172 1.00 72.24 N ATOM 984 CA LYS A 56 0.458 19.836 -21.579 1.00 42.13 C ATOM 985 C LYS A 56 -0.705 20.495 -22.312 1.00 4.01 C ATOM 986 O LYS A 56 -0.802 21.720 -22.368 1.00 71.21 O ATOM 987 CB LYS A 56 0.425 20.219 -20.098 1.00 5.21 C ATOM 988 CG LYS A 56 1.709 19.894 -19.355 1.00 52.32 C ATOM 989 CD LYS A 56 1.464 19.720 -17.866 1.00 60.14 C ATOM 990 CE LYS A 56 1.116 21.042 -17.200 1.00 53.34 C ATOM 991 NZ LYS A 56 2.218 22.036 -17.330 1.00 61.54 N ATOM 0 H LYS A 56 2.167 21.039 -21.742 1.00 72.24 H new ATOM 0 HA LYS A 56 0.355 18.755 -21.671 1.00 42.13 H new ATOM 0 HB2 LYS A 56 0.227 21.287 -20.012 1.00 5.21 H new ATOM 0 HB3 LYS A 56 -0.404 19.701 -19.616 1.00 5.21 H new ATOM 0 HG2 LYS A 56 2.145 18.981 -19.762 1.00 52.32 H new ATOM 0 HG3 LYS A 56 2.434 20.692 -19.514 1.00 52.32 H new ATOM 0 HD2 LYS A 56 0.653 19.008 -17.710 1.00 60.14 H new ATOM 0 HD3 LYS A 56 2.353 19.298 -17.397 1.00 60.14 H new ATOM 0 HE2 LYS A 56 0.208 21.446 -17.647 1.00 53.34 H new ATOM 0 HE3 LYS A 56 0.903 20.872 -16.145 1.00 53.34 H new ATOM 0 HZ1 LYS A 56 2.098 22.783 -16.617 1.00 61.54 H new ATOM 0 HZ2 LYS A 56 3.132 21.562 -17.184 1.00 61.54 H new ATOM 0 HZ3 LYS A 56 2.195 22.458 -18.280 1.00 61.54 H new ATOM 1005 N ASN A 57 -1.588 19.673 -22.872 1.00 44.42 N ATOM 1006 CA ASN A 57 -2.746 20.177 -23.601 1.00 5.04 C ATOM 1007 C ASN A 57 -4.024 19.984 -22.791 1.00 32.20 C ATOM 1008 O ASN A 57 -4.330 18.878 -22.345 1.00 63.15 O ATOM 1009 CB ASN A 57 -2.873 19.469 -24.951 1.00 53.54 C ATOM 1010 CG ASN A 57 -1.569 19.468 -25.727 1.00 51.01 C ATOM 1011 OD1 ASN A 57 -1.147 18.438 -26.253 1.00 35.42 O ATOM 1012 ND2 ASN A 57 -0.925 20.627 -25.803 1.00 43.12 N ATOM 0 H ASN A 57 -1.523 18.656 -22.835 1.00 44.42 H new ATOM 0 HA ASN A 57 -2.601 21.244 -23.770 1.00 5.04 H new ATOM 0 HB2 ASN A 57 -3.198 18.441 -24.790 1.00 53.54 H new ATOM 0 HB3 ASN A 57 -3.645 19.959 -25.544 1.00 53.54 H new ATOM 0 HD21 ASN A 57 -0.044 20.688 -26.313 1.00 43.12 H new ATOM 0 HD22 ASN A 57 -1.312 21.456 -25.352 1.00 43.12 H new ATOM 1019 N LYS A 58 -4.770 21.068 -22.605 1.00 34.13 N ATOM 1020 CA LYS A 58 -6.017 21.019 -21.852 1.00 15.32 C ATOM 1021 C LYS A 58 -5.797 20.404 -20.474 1.00 43.43 C ATOM 1022 O LYS A 58 -6.648 19.675 -19.966 1.00 52.35 O ATOM 1023 CB LYS A 58 -7.069 20.215 -22.619 1.00 3.05 C ATOM 1024 CG LYS A 58 -7.257 20.672 -24.054 1.00 34.32 C ATOM 1025 CD LYS A 58 -7.985 22.005 -24.125 1.00 61.24 C ATOM 1026 CE LYS A 58 -9.487 21.828 -23.961 1.00 55.13 C ATOM 1027 NZ LYS A 58 -10.233 23.066 -24.326 1.00 65.34 N ATOM 0 H LYS A 58 -4.532 21.992 -22.966 1.00 34.13 H new ATOM 0 HA LYS A 58 -6.374 22.041 -21.722 1.00 15.32 H new ATOM 0 HB2 LYS A 58 -6.783 19.163 -22.616 1.00 3.05 H new ATOM 0 HB3 LYS A 58 -8.022 20.288 -22.096 1.00 3.05 H new ATOM 0 HG2 LYS A 58 -6.285 20.761 -24.539 1.00 34.32 H new ATOM 0 HG3 LYS A 58 -7.820 19.919 -24.606 1.00 34.32 H new ATOM 0 HD2 LYS A 58 -7.608 22.669 -23.347 1.00 61.24 H new ATOM 0 HD3 LYS A 58 -7.776 22.485 -25.081 1.00 61.24 H new ATOM 0 HE2 LYS A 58 -9.826 21.002 -24.586 1.00 55.13 H new ATOM 0 HE3 LYS A 58 -9.711 21.560 -22.929 1.00 55.13 H new ATOM 0 HZ1 LYS A 58 -11.253 22.906 -24.201 1.00 65.34 H new ATOM 0 HZ2 LYS A 58 -9.928 23.849 -23.713 1.00 65.34 H new ATOM 0 HZ3 LYS A 58 -10.039 23.308 -25.319 1.00 65.34 H new ATOM 1041 N ALA A 59 -4.650 20.705 -19.873 1.00 51.13 N ATOM 1042 CA ALA A 59 -4.320 20.184 -18.553 1.00 44.32 C ATOM 1043 C ALA A 59 -4.800 21.127 -17.455 1.00 31.24 C ATOM 1044 O ALA A 59 -4.672 22.345 -17.571 1.00 60.14 O ATOM 1045 CB ALA A 59 -2.820 19.956 -18.436 1.00 24.41 C ATOM 0 H ALA A 59 -3.934 21.307 -20.280 1.00 51.13 H new ATOM 0 HA ALA A 59 -4.833 19.231 -18.427 1.00 44.32 H new ATOM 0 HB1 ALA A 59 -2.587 19.567 -17.445 1.00 24.41 H new ATOM 0 HB2 ALA A 59 -2.501 19.238 -19.192 1.00 24.41 H new ATOM 0 HB3 ALA A 59 -2.296 20.900 -18.587 1.00 24.41 H new ATOM 1051 N GLU A 60 -5.356 20.555 -16.391 1.00 43.51 N ATOM 1052 CA GLU A 60 -5.857 21.346 -15.274 1.00 43.41 C ATOM 1053 C GLU A 60 -5.039 21.085 -14.011 1.00 31.23 C ATOM 1054 O GLU A 60 -5.205 20.057 -13.355 1.00 73.22 O ATOM 1055 CB GLU A 60 -7.331 21.027 -15.015 1.00 43.32 C ATOM 1056 CG GLU A 60 -8.275 21.651 -16.029 1.00 24.12 C ATOM 1057 CD GLU A 60 -8.740 23.035 -15.619 1.00 2.14 C ATOM 1058 OE1 GLU A 60 -9.664 23.128 -14.783 1.00 43.21 O ATOM 1059 OE2 GLU A 60 -8.180 24.025 -16.134 1.00 44.23 O ATOM 0 H GLU A 60 -5.470 19.548 -16.280 1.00 43.51 H new ATOM 0 HA GLU A 60 -5.761 22.400 -15.537 1.00 43.41 H new ATOM 0 HB2 GLU A 60 -7.467 19.946 -15.022 1.00 43.32 H new ATOM 0 HB3 GLU A 60 -7.600 21.376 -14.018 1.00 43.32 H new ATOM 0 HG2 GLU A 60 -7.775 21.711 -16.996 1.00 24.12 H new ATOM 0 HG3 GLU A 60 -9.143 21.004 -16.158 1.00 24.12 H new TER 1066 GLU A 60 HETATM 1067 ZN ZN A 100 4.153 12.931 -4.675 1.00 4.11 ZN