USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 420 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: X 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: X 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : X 1 MET N :NH3+ -165:sc= -0.0324 (180deg=-0.333) USER MOD Single : X 3 TYR OH : rot 180:sc= 0 USER MOD Single : X 8 ASN : amide:sc= -2.91 K(o=-2.9,f=-4.1!) USER MOD Single : X 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 11 THR OG1 : rot 180:sc= -0.12 USER MOD Single : X 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 16 THR OG1 : rot 56:sc= 0.281 USER MOD Single : X 17 THR OG1 : rot 180:sc= 0 USER MOD Single : X 18 THR OG1 : rot 180:sc= 0 USER MOD Single : X 25 THR OG1 : rot -17:sc= -0.0829! USER MOD Single : X 28 LYS NZ :NH3+ 161:sc= -0.351 (180deg=-1.3!) USER MOD Single : X 31 LYS NZ :NH3+ 162:sc= -0.928! (180deg=-1.92!) USER MOD Single : X 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : X 33 TYR OH : rot 180:sc= 0 USER MOD Single : X 35 ASN : amide:sc= -0.25 K(o=-0.25,f=-1.1) USER MOD Single : X 37 ASN : amide:sc= -0.584 X(o=-0.58,f=-0.43) USER MOD Single : X 44 THR OG1 : rot 180:sc= 0 USER MOD Single : X 45 TYR OH : rot 180:sc= 0 USER MOD Single : X 49 THR OG1 : rot 180:sc= 0 USER MOD Single : X 50 LYS NZ :NH3+ -149:sc= 0.77 (180deg=-0.22) USER MOD Single : X 51 THR OG1 : rot 180:sc= -0.324 USER MOD Single : X 53 THR OG1 : rot 180:sc= 0 USER MOD Single : X 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 -12.583 6.463 15.287 1.00 0.00 N ATOM 2 CA MET X 1 -13.380 7.647 15.712 1.00 0.00 C ATOM 3 C MET X 1 -14.064 8.260 14.494 1.00 0.00 C ATOM 4 O MET X 1 -15.155 8.822 14.598 1.00 0.00 O ATOM 5 CB MET X 1 -12.451 8.672 16.367 1.00 0.00 C ATOM 6 CG MET X 1 -13.218 9.971 16.611 1.00 0.00 C ATOM 7 SD MET X 1 -12.358 10.954 17.861 1.00 0.00 S ATOM 8 CE MET X 1 -13.386 10.473 19.271 1.00 0.00 C ATOM 0 H1 MET X 1 -12.327 5.899 16.122 1.00 0.00 H new ATOM 0 H2 MET X 1 -13.147 5.881 14.636 1.00 0.00 H new ATOM 0 H3 MET X 1 -11.718 6.782 14.806 1.00 0.00 H new ATOM 0 HA MET X 1 -14.141 7.344 16.431 1.00 0.00 H new ATOM 0 HB2 MET X 1 -12.067 8.281 17.309 1.00 0.00 H new ATOM 0 HB3 MET X 1 -11.590 8.860 15.726 1.00 0.00 H new ATOM 0 HG2 MET X 1 -13.301 10.536 15.683 1.00 0.00 H new ATOM 0 HG3 MET X 1 -14.233 9.750 16.942 1.00 0.00 H new ATOM 0 HE1 MET X 1 -13.027 10.973 20.170 1.00 0.00 H new ATOM 0 HE2 MET X 1 -14.420 10.762 19.083 1.00 0.00 H new ATOM 0 HE3 MET X 1 -13.331 9.393 19.410 1.00 0.00 H new ATOM 20 N GLN X 2 -13.420 8.142 13.337 1.00 0.00 N ATOM 21 CA GLN X 2 -13.975 8.681 12.099 1.00 0.00 C ATOM 22 C GLN X 2 -14.068 7.584 11.045 1.00 0.00 C ATOM 23 O GLN X 2 -13.096 6.871 10.792 1.00 0.00 O ATOM 24 CB GLN X 2 -13.097 9.824 11.584 1.00 0.00 C ATOM 25 CG GLN X 2 -13.891 10.675 10.590 1.00 0.00 C ATOM 26 CD GLN X 2 -13.080 11.904 10.192 1.00 0.00 C ATOM 27 OE1 GLN X 2 -12.873 12.802 11.007 1.00 0.00 O ATOM 28 NE2 GLN X 2 -12.607 11.997 8.980 1.00 0.00 N ATOM 0 H GLN X 2 -12.517 7.680 13.230 1.00 0.00 H new ATOM 0 HA GLN X 2 -14.975 9.064 12.301 1.00 0.00 H new ATOM 0 HB2 GLN X 2 -12.760 10.440 12.417 1.00 0.00 H new ATOM 0 HB3 GLN X 2 -12.205 9.422 11.103 1.00 0.00 H new ATOM 0 HG2 GLN X 2 -14.132 10.086 9.705 1.00 0.00 H new ATOM 0 HG3 GLN X 2 -14.837 10.982 11.036 1.00 0.00 H new ATOM 0 HE21 GLN X 2 -12.780 11.251 8.306 1.00 0.00 H new ATOM 0 HE22 GLN X 2 -12.064 12.816 8.706 1.00 0.00 H new ATOM 37 N TYR X 3 -15.242 7.445 10.438 1.00 0.00 N ATOM 38 CA TYR X 3 -15.442 6.418 9.423 1.00 0.00 C ATOM 39 C TYR X 3 -16.246 6.955 8.242 1.00 0.00 C ATOM 40 O TYR X 3 -17.200 7.714 8.418 1.00 0.00 O ATOM 41 CB TYR X 3 -16.180 5.225 10.033 1.00 0.00 C ATOM 42 CG TYR X 3 -15.191 4.301 10.700 1.00 0.00 C ATOM 43 CD1 TYR X 3 -14.258 3.598 9.927 1.00 0.00 C ATOM 44 CD2 TYR X 3 -15.211 4.141 12.090 1.00 0.00 C ATOM 45 CE1 TYR X 3 -13.345 2.736 10.546 1.00 0.00 C ATOM 46 CE2 TYR X 3 -14.297 3.280 12.709 1.00 0.00 C ATOM 47 CZ TYR X 3 -13.364 2.577 11.937 1.00 0.00 C ATOM 48 OH TYR X 3 -12.466 1.726 12.548 1.00 0.00 O ATOM 0 H TYR X 3 -16.060 8.023 10.628 1.00 0.00 H new ATOM 0 HA TYR X 3 -14.462 6.107 9.062 1.00 0.00 H new ATOM 0 HB2 TYR X 3 -16.915 5.572 10.760 1.00 0.00 H new ATOM 0 HB3 TYR X 3 -16.727 4.689 9.258 1.00 0.00 H new ATOM 0 HD1 TYR X 3 -14.243 3.721 8.854 1.00 0.00 H new ATOM 0 HD2 TYR X 3 -15.932 4.682 12.685 1.00 0.00 H new ATOM 0 HE1 TYR X 3 -12.626 2.193 9.950 1.00 0.00 H new ATOM 0 HE2 TYR X 3 -14.312 3.158 13.782 1.00 0.00 H new ATOM 0 HH TYR X 3 -12.615 1.734 13.517 1.00 0.00 H new ATOM 58 N LYS X 4 -15.860 6.535 7.043 1.00 0.00 N ATOM 59 CA LYS X 4 -16.550 6.952 5.828 1.00 0.00 C ATOM 60 C LYS X 4 -17.053 5.719 5.089 1.00 0.00 C ATOM 61 O LYS X 4 -16.324 4.737 4.944 1.00 0.00 O ATOM 62 CB LYS X 4 -15.603 7.747 4.929 1.00 0.00 C ATOM 63 CG LYS X 4 -16.307 9.014 4.438 1.00 0.00 C ATOM 64 CD LYS X 4 -16.243 10.087 5.526 1.00 0.00 C ATOM 65 CE LYS X 4 -14.909 10.829 5.430 1.00 0.00 C ATOM 66 NZ LYS X 4 -14.889 11.945 6.418 1.00 0.00 N ATOM 0 H LYS X 4 -15.073 5.906 6.886 1.00 0.00 H new ATOM 0 HA LYS X 4 -17.394 7.589 6.094 1.00 0.00 H new ATOM 0 HB2 LYS X 4 -14.699 8.010 5.478 1.00 0.00 H new ATOM 0 HB3 LYS X 4 -15.294 7.138 4.080 1.00 0.00 H new ATOM 0 HG2 LYS X 4 -15.832 9.377 3.526 1.00 0.00 H new ATOM 0 HG3 LYS X 4 -17.345 8.793 4.191 1.00 0.00 H new ATOM 0 HD2 LYS X 4 -17.070 10.787 5.411 1.00 0.00 H new ATOM 0 HD3 LYS X 4 -16.347 9.630 6.510 1.00 0.00 H new ATOM 0 HE2 LYS X 4 -14.084 10.143 5.623 1.00 0.00 H new ATOM 0 HE3 LYS X 4 -14.769 11.219 4.422 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 -13.982 12.450 6.353 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 -15.667 12.604 6.213 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 -15.004 11.561 7.378 1.00 0.00 H new ATOM 80 N LEU X 5 -18.303 5.755 4.641 1.00 0.00 N ATOM 81 CA LEU X 5 -18.868 4.608 3.946 1.00 0.00 C ATOM 82 C LEU X 5 -19.552 5.014 2.647 1.00 0.00 C ATOM 83 O LEU X 5 -20.656 5.560 2.656 1.00 0.00 O ATOM 84 CB LEU X 5 -19.877 3.905 4.856 1.00 0.00 C ATOM 85 CG LEU X 5 -20.414 4.901 5.885 1.00 0.00 C ATOM 86 CD1 LEU X 5 -21.801 4.459 6.352 1.00 0.00 C ATOM 87 CD2 LEU X 5 -19.466 4.958 7.087 1.00 0.00 C ATOM 0 H LEU X 5 -18.933 6.550 4.744 1.00 0.00 H new ATOM 0 HA LEU X 5 -18.050 3.932 3.697 1.00 0.00 H new ATOM 0 HB2 LEU X 5 -20.697 3.500 4.263 1.00 0.00 H new ATOM 0 HB3 LEU X 5 -19.403 3.063 5.361 1.00 0.00 H new ATOM 0 HG LEU X 5 -20.483 5.889 5.429 1.00 0.00 H new ATOM 0 HD11 LEU X 5 -22.182 5.170 7.085 1.00 0.00 H new ATOM 0 HD12 LEU X 5 -22.477 4.421 5.498 1.00 0.00 H new ATOM 0 HD13 LEU X 5 -21.734 3.470 6.806 1.00 0.00 H new ATOM 0 HD21 LEU X 5 -19.850 5.668 7.820 1.00 0.00 H new ATOM 0 HD22 LEU X 5 -19.395 3.970 7.542 1.00 0.00 H new ATOM 0 HD23 LEU X 5 -18.478 5.277 6.756 1.00 0.00 H new ATOM 99 N ILE X 6 -18.899 4.714 1.528 1.00 0.00 N ATOM 100 CA ILE X 6 -19.463 5.022 0.219 1.00 0.00 C ATOM 101 C ILE X 6 -19.879 3.724 -0.464 1.00 0.00 C ATOM 102 O ILE X 6 -19.034 2.948 -0.910 1.00 0.00 O ATOM 103 CB ILE X 6 -18.433 5.753 -0.647 1.00 0.00 C ATOM 104 CG1 ILE X 6 -17.086 5.028 -0.566 1.00 0.00 C ATOM 105 CG2 ILE X 6 -18.268 7.188 -0.145 1.00 0.00 C ATOM 106 CD1 ILE X 6 -15.978 5.949 -1.082 1.00 0.00 C ATOM 0 H ILE X 6 -17.985 4.261 1.501 1.00 0.00 H new ATOM 0 HA ILE X 6 -20.331 5.668 0.347 1.00 0.00 H new ATOM 0 HB ILE X 6 -18.777 5.766 -1.681 1.00 0.00 H new ATOM 0 HG12 ILE X 6 -16.880 4.735 0.464 1.00 0.00 H new ATOM 0 HG13 ILE X 6 -17.117 4.113 -1.157 1.00 0.00 H new ATOM 0 HG21 ILE X 6 -17.535 7.707 -0.762 1.00 0.00 H new ATOM 0 HG22 ILE X 6 -19.225 7.707 -0.205 1.00 0.00 H new ATOM 0 HG23 ILE X 6 -17.927 7.174 0.890 1.00 0.00 H new ATOM 0 HD11 ILE X 6 -15.020 5.433 -1.024 1.00 0.00 H new ATOM 0 HD12 ILE X 6 -16.183 6.219 -2.118 1.00 0.00 H new ATOM 0 HD13 ILE X 6 -15.941 6.851 -0.472 1.00 0.00 H new ATOM 118 N LEU X 7 -21.184 3.485 -0.528 1.00 0.00 N ATOM 119 CA LEU X 7 -21.692 2.269 -1.142 1.00 0.00 C ATOM 120 C LEU X 7 -22.486 2.575 -2.404 1.00 0.00 C ATOM 121 O LEU X 7 -23.379 3.423 -2.396 1.00 0.00 O ATOM 122 CB LEU X 7 -22.577 1.508 -0.151 1.00 0.00 C ATOM 123 CG LEU X 7 -23.433 2.499 0.647 1.00 0.00 C ATOM 124 CD1 LEU X 7 -24.653 1.773 1.214 1.00 0.00 C ATOM 125 CD2 LEU X 7 -22.617 3.089 1.805 1.00 0.00 C ATOM 0 H LEU X 7 -21.902 4.112 -0.165 1.00 0.00 H new ATOM 0 HA LEU X 7 -20.836 1.652 -1.416 1.00 0.00 H new ATOM 0 HB2 LEU X 7 -23.218 0.807 -0.686 1.00 0.00 H new ATOM 0 HB3 LEU X 7 -21.958 0.920 0.527 1.00 0.00 H new ATOM 0 HG LEU X 7 -23.752 3.304 -0.015 1.00 0.00 H new ATOM 0 HD11 LEU X 7 -25.263 2.476 1.782 1.00 0.00 H new ATOM 0 HD12 LEU X 7 -25.243 1.359 0.396 1.00 0.00 H new ATOM 0 HD13 LEU X 7 -24.324 0.966 1.869 1.00 0.00 H new ATOM 0 HD21 LEU X 7 -23.235 3.791 2.365 1.00 0.00 H new ATOM 0 HD22 LEU X 7 -22.290 2.286 2.466 1.00 0.00 H new ATOM 0 HD23 LEU X 7 -21.745 3.609 1.408 1.00 0.00 H new ATOM 137 N ASN X 8 -22.170 1.868 -3.482 1.00 0.00 N ATOM 138 CA ASN X 8 -22.883 2.064 -4.735 1.00 0.00 C ATOM 139 C ASN X 8 -23.754 0.849 -5.034 1.00 0.00 C ATOM 140 O ASN X 8 -23.247 -0.247 -5.273 1.00 0.00 O ATOM 141 CB ASN X 8 -21.891 2.281 -5.879 1.00 0.00 C ATOM 142 CG ASN X 8 -20.622 2.942 -5.351 1.00 0.00 C ATOM 143 OD1 ASN X 8 -19.518 2.566 -5.739 1.00 0.00 O ATOM 144 ND2 ASN X 8 -20.715 3.914 -4.484 1.00 0.00 N ATOM 0 H ASN X 8 -21.434 1.163 -3.514 1.00 0.00 H new ATOM 0 HA ASN X 8 -23.517 2.946 -4.643 1.00 0.00 H new ATOM 0 HB2 ASN X 8 -21.647 1.327 -6.345 1.00 0.00 H new ATOM 0 HB3 ASN X 8 -22.343 2.906 -6.649 1.00 0.00 H new ATOM 0 HD21 ASN X 8 -19.871 4.362 -4.128 1.00 0.00 H new ATOM 0 HD22 ASN X 8 -21.632 4.225 -4.163 1.00 0.00 H new ATOM 151 N GLY X 9 -25.066 1.053 -5.020 1.00 0.00 N ATOM 152 CA GLY X 9 -26.003 -0.033 -5.292 1.00 0.00 C ATOM 153 C GLY X 9 -26.088 -0.307 -6.788 1.00 0.00 C ATOM 154 O GLY X 9 -27.141 -0.684 -7.303 1.00 0.00 O ATOM 0 H GLY X 9 -25.504 1.953 -4.825 1.00 0.00 H new ATOM 0 HA2 GLY X 9 -25.684 -0.935 -4.769 1.00 0.00 H new ATOM 0 HA3 GLY X 9 -26.990 0.226 -4.908 1.00 0.00 H new ATOM 158 N LYS X 10 -24.968 -0.109 -7.473 1.00 0.00 N ATOM 159 CA LYS X 10 -24.899 -0.326 -8.914 1.00 0.00 C ATOM 160 C LYS X 10 -25.214 0.963 -9.662 1.00 0.00 C ATOM 161 O LYS X 10 -24.369 1.503 -10.376 1.00 0.00 O ATOM 162 CB LYS X 10 -25.892 -1.411 -9.341 1.00 0.00 C ATOM 163 CG LYS X 10 -25.456 -2.010 -10.682 1.00 0.00 C ATOM 164 CD LYS X 10 -26.598 -1.891 -11.694 1.00 0.00 C ATOM 165 CE LYS X 10 -26.270 -2.726 -12.932 1.00 0.00 C ATOM 166 NZ LYS X 10 -26.741 -4.124 -12.726 1.00 0.00 N ATOM 0 H LYS X 10 -24.092 0.202 -7.053 1.00 0.00 H new ATOM 0 HA LYS X 10 -23.887 -0.647 -9.158 1.00 0.00 H new ATOM 0 HB2 LYS X 10 -25.941 -2.192 -8.582 1.00 0.00 H new ATOM 0 HB3 LYS X 10 -26.893 -0.988 -9.429 1.00 0.00 H new ATOM 0 HG2 LYS X 10 -24.572 -1.491 -11.053 1.00 0.00 H new ATOM 0 HG3 LYS X 10 -25.180 -3.056 -10.552 1.00 0.00 H new ATOM 0 HD2 LYS X 10 -27.531 -2.234 -11.247 1.00 0.00 H new ATOM 0 HD3 LYS X 10 -26.743 -0.848 -11.974 1.00 0.00 H new ATOM 0 HE2 LYS X 10 -26.749 -2.295 -13.812 1.00 0.00 H new ATOM 0 HE3 LYS X 10 -25.196 -2.716 -13.117 1.00 0.00 H new ATOM 0 HZ1 LYS X 10 -26.518 -4.693 -13.568 1.00 0.00 H new ATOM 0 HZ2 LYS X 10 -26.265 -4.532 -11.896 1.00 0.00 H new ATOM 0 HZ3 LYS X 10 -27.769 -4.124 -12.570 1.00 0.00 H new ATOM 180 N THR X 11 -26.438 1.448 -9.491 1.00 0.00 N ATOM 181 CA THR X 11 -26.864 2.674 -10.154 1.00 0.00 C ATOM 182 C THR X 11 -27.076 3.793 -9.140 1.00 0.00 C ATOM 183 O THR X 11 -27.326 4.940 -9.512 1.00 0.00 O ATOM 184 CB THR X 11 -28.164 2.425 -10.920 1.00 0.00 C ATOM 185 OG1 THR X 11 -28.104 1.153 -11.551 1.00 0.00 O ATOM 186 CG2 THR X 11 -28.352 3.513 -11.977 1.00 0.00 C ATOM 0 H THR X 11 -27.149 1.014 -8.902 1.00 0.00 H new ATOM 0 HA THR X 11 -26.081 2.978 -10.849 1.00 0.00 H new ATOM 0 HB THR X 11 -29.005 2.447 -10.227 1.00 0.00 H new ATOM 0 HG1 THR X 11 -28.937 0.991 -12.041 1.00 0.00 H new ATOM 0 HG21 THR X 11 -29.279 3.334 -12.522 1.00 0.00 H new ATOM 0 HG22 THR X 11 -28.399 4.488 -11.491 1.00 0.00 H new ATOM 0 HG23 THR X 11 -27.513 3.494 -12.672 1.00 0.00 H new ATOM 194 N LEU X 12 -26.980 3.455 -7.858 1.00 0.00 N ATOM 195 CA LEU X 12 -27.171 4.447 -6.806 1.00 0.00 C ATOM 196 C LEU X 12 -25.967 4.484 -5.871 1.00 0.00 C ATOM 197 O LEU X 12 -25.566 3.460 -5.317 1.00 0.00 O ATOM 198 CB LEU X 12 -28.434 4.123 -6.002 1.00 0.00 C ATOM 199 CG LEU X 12 -29.580 3.786 -6.957 1.00 0.00 C ATOM 200 CD1 LEU X 12 -30.836 3.452 -6.150 1.00 0.00 C ATOM 201 CD2 LEU X 12 -29.863 4.988 -7.862 1.00 0.00 C ATOM 0 H LEU X 12 -26.774 2.513 -7.525 1.00 0.00 H new ATOM 0 HA LEU X 12 -27.279 5.425 -7.276 1.00 0.00 H new ATOM 0 HB2 LEU X 12 -28.246 3.283 -5.334 1.00 0.00 H new ATOM 0 HB3 LEU X 12 -28.707 4.973 -5.377 1.00 0.00 H new ATOM 0 HG LEU X 12 -29.300 2.928 -7.568 1.00 0.00 H new ATOM 0 HD11 LEU X 12 -31.653 3.212 -6.831 1.00 0.00 H new ATOM 0 HD12 LEU X 12 -30.637 2.596 -5.505 1.00 0.00 H new ATOM 0 HD13 LEU X 12 -31.114 4.310 -5.538 1.00 0.00 H new ATOM 0 HD21 LEU X 12 -30.680 4.747 -8.542 1.00 0.00 H new ATOM 0 HD22 LEU X 12 -30.141 5.846 -7.250 1.00 0.00 H new ATOM 0 HD23 LEU X 12 -28.970 5.228 -8.438 1.00 0.00 H new ATOM 213 N LYS X 13 -25.396 5.673 -5.698 1.00 0.00 N ATOM 214 CA LYS X 13 -24.238 5.838 -4.826 1.00 0.00 C ATOM 215 C LYS X 13 -24.391 7.093 -3.969 1.00 0.00 C ATOM 216 O LYS X 13 -25.010 8.070 -4.391 1.00 0.00 O ATOM 217 CB LYS X 13 -22.961 5.939 -5.662 1.00 0.00 C ATOM 218 CG LYS X 13 -23.319 6.318 -7.101 1.00 0.00 C ATOM 219 CD LYS X 13 -22.043 6.662 -7.873 1.00 0.00 C ATOM 220 CE LYS X 13 -22.413 7.293 -9.216 1.00 0.00 C ATOM 221 NZ LYS X 13 -21.639 8.554 -9.403 1.00 0.00 N ATOM 0 H LYS X 13 -25.714 6.532 -6.147 1.00 0.00 H new ATOM 0 HA LYS X 13 -24.172 4.969 -4.172 1.00 0.00 H new ATOM 0 HB2 LYS X 13 -22.292 6.686 -5.234 1.00 0.00 H new ATOM 0 HB3 LYS X 13 -22.428 4.988 -5.647 1.00 0.00 H new ATOM 0 HG2 LYS X 13 -23.839 5.492 -7.587 1.00 0.00 H new ATOM 0 HG3 LYS X 13 -24.000 7.169 -7.105 1.00 0.00 H new ATOM 0 HD2 LYS X 13 -21.429 7.351 -7.293 1.00 0.00 H new ATOM 0 HD3 LYS X 13 -21.449 5.762 -8.033 1.00 0.00 H new ATOM 0 HE2 LYS X 13 -22.198 6.598 -10.028 1.00 0.00 H new ATOM 0 HE3 LYS X 13 -23.482 7.502 -9.250 1.00 0.00 H new ATOM 0 HZ1 LYS X 13 -21.890 8.983 -10.316 1.00 0.00 H new ATOM 0 HZ2 LYS X 13 -21.865 9.217 -8.635 1.00 0.00 H new ATOM 0 HZ3 LYS X 13 -20.621 8.342 -9.389 1.00 0.00 H new ATOM 235 N GLY X 14 -23.822 7.061 -2.767 1.00 0.00 N ATOM 236 CA GLY X 14 -23.905 8.204 -1.865 1.00 0.00 C ATOM 237 C GLY X 14 -22.747 8.204 -0.874 1.00 0.00 C ATOM 238 O GLY X 14 -21.888 7.322 -0.907 1.00 0.00 O ATOM 0 H GLY X 14 -23.303 6.264 -2.398 1.00 0.00 H new ATOM 0 HA2 GLY X 14 -23.894 9.129 -2.442 1.00 0.00 H new ATOM 0 HA3 GLY X 14 -24.851 8.177 -1.324 1.00 0.00 H new ATOM 242 N GLU X 15 -22.726 9.199 0.006 1.00 0.00 N ATOM 243 CA GLU X 15 -21.666 9.303 1.002 1.00 0.00 C ATOM 244 C GLU X 15 -22.256 9.504 2.395 1.00 0.00 C ATOM 245 O GLU X 15 -23.218 10.250 2.571 1.00 0.00 O ATOM 246 CB GLU X 15 -20.743 10.475 0.663 1.00 0.00 C ATOM 247 CG GLU X 15 -21.577 11.739 0.445 1.00 0.00 C ATOM 248 CD GLU X 15 -20.676 12.968 0.461 1.00 0.00 C ATOM 249 OE1 GLU X 15 -19.602 12.885 1.035 1.00 0.00 O ATOM 250 OE2 GLU X 15 -21.073 13.978 -0.097 1.00 0.00 O ATOM 0 H GLU X 15 -23.425 9.940 0.050 1.00 0.00 H new ATOM 0 HA GLU X 15 -21.093 8.376 0.993 1.00 0.00 H new ATOM 0 HB2 GLU X 15 -20.028 10.634 1.471 1.00 0.00 H new ATOM 0 HB3 GLU X 15 -20.166 10.249 -0.234 1.00 0.00 H new ATOM 0 HG2 GLU X 15 -22.104 11.677 -0.507 1.00 0.00 H new ATOM 0 HG3 GLU X 15 -22.335 11.823 1.224 1.00 0.00 H new ATOM 257 N THR X 16 -21.670 8.833 3.381 1.00 0.00 N ATOM 258 CA THR X 16 -22.144 8.945 4.757 1.00 0.00 C ATOM 259 C THR X 16 -20.964 9.056 5.718 1.00 0.00 C ATOM 260 O THR X 16 -19.895 8.496 5.472 1.00 0.00 O ATOM 261 CB THR X 16 -22.992 7.724 5.118 1.00 0.00 C ATOM 262 OG1 THR X 16 -22.845 6.733 4.110 1.00 0.00 O ATOM 263 CG2 THR X 16 -24.463 8.131 5.226 1.00 0.00 C ATOM 0 H THR X 16 -20.872 8.210 3.256 1.00 0.00 H new ATOM 0 HA THR X 16 -22.754 9.844 4.843 1.00 0.00 H new ATOM 0 HB THR X 16 -22.660 7.322 6.075 1.00 0.00 H new ATOM 0 HG1 THR X 16 -21.895 6.519 3.998 1.00 0.00 H new ATOM 0 HG21 THR X 16 -25.064 7.259 5.483 1.00 0.00 H new ATOM 0 HG22 THR X 16 -24.575 8.890 6.001 1.00 0.00 H new ATOM 0 HG23 THR X 16 -24.800 8.535 4.271 1.00 0.00 H new ATOM 271 N THR X 17 -21.163 9.784 6.813 1.00 0.00 N ATOM 272 CA THR X 17 -20.106 9.962 7.802 1.00 0.00 C ATOM 273 C THR X 17 -20.641 9.721 9.211 1.00 0.00 C ATOM 274 O THR X 17 -21.696 10.235 9.580 1.00 0.00 O ATOM 275 CB THR X 17 -19.540 11.382 7.709 1.00 0.00 C ATOM 276 OG1 THR X 17 -18.379 11.483 8.523 1.00 0.00 O ATOM 277 CG2 THR X 17 -20.590 12.384 8.187 1.00 0.00 C ATOM 0 H THR X 17 -22.039 10.256 7.036 1.00 0.00 H new ATOM 0 HA THR X 17 -19.317 9.239 7.596 1.00 0.00 H new ATOM 0 HB THR X 17 -19.277 11.601 6.674 1.00 0.00 H new ATOM 0 HG1 THR X 17 -18.015 12.391 8.463 1.00 0.00 H new ATOM 0 HG21 THR X 17 -20.186 13.394 8.120 1.00 0.00 H new ATOM 0 HG22 THR X 17 -21.479 12.307 7.561 1.00 0.00 H new ATOM 0 HG23 THR X 17 -20.856 12.167 9.222 1.00 0.00 H new ATOM 285 N THR X 18 -19.905 8.935 9.990 1.00 0.00 N ATOM 286 CA THR X 18 -20.315 8.632 11.358 1.00 0.00 C ATOM 287 C THR X 18 -19.096 8.527 12.270 1.00 0.00 C ATOM 288 O THR X 18 -18.100 7.896 11.919 1.00 0.00 O ATOM 289 CB THR X 18 -21.093 7.314 11.391 1.00 0.00 C ATOM 290 OG1 THR X 18 -20.276 6.270 10.880 1.00 0.00 O ATOM 291 CG2 THR X 18 -22.355 7.443 10.536 1.00 0.00 C ATOM 0 H THR X 18 -19.029 8.499 9.702 1.00 0.00 H new ATOM 0 HA THR X 18 -20.954 9.440 11.714 1.00 0.00 H new ATOM 0 HB THR X 18 -21.375 7.084 12.418 1.00 0.00 H new ATOM 0 HG1 THR X 18 -20.773 5.425 10.902 1.00 0.00 H new ATOM 0 HG21 THR X 18 -22.908 6.504 10.560 1.00 0.00 H new ATOM 0 HG22 THR X 18 -22.981 8.243 10.930 1.00 0.00 H new ATOM 0 HG23 THR X 18 -22.076 7.673 9.508 1.00 0.00 H new ATOM 299 N GLU X 19 -19.183 9.150 13.441 1.00 0.00 N ATOM 300 CA GLU X 19 -18.078 9.119 14.392 1.00 0.00 C ATOM 301 C GLU X 19 -18.504 8.448 15.694 1.00 0.00 C ATOM 302 O GLU X 19 -19.236 9.029 16.495 1.00 0.00 O ATOM 303 CB GLU X 19 -17.597 10.544 14.680 1.00 0.00 C ATOM 304 CG GLU X 19 -18.369 11.533 13.803 1.00 0.00 C ATOM 305 CD GLU X 19 -19.836 11.571 14.223 1.00 0.00 C ATOM 306 OE1 GLU X 19 -20.280 10.619 14.841 1.00 0.00 O ATOM 307 OE2 GLU X 19 -20.494 12.553 13.917 1.00 0.00 O ATOM 0 H GLU X 19 -19.999 9.677 13.752 1.00 0.00 H new ATOM 0 HA GLU X 19 -17.264 8.542 13.953 1.00 0.00 H new ATOM 0 HB2 GLU X 19 -17.746 10.783 15.733 1.00 0.00 H new ATOM 0 HB3 GLU X 19 -16.528 10.625 14.483 1.00 0.00 H new ATOM 0 HG2 GLU X 19 -17.932 12.527 13.891 1.00 0.00 H new ATOM 0 HG3 GLU X 19 -18.290 11.241 12.756 1.00 0.00 H new ATOM 314 N ALA X 20 -18.037 7.220 15.898 1.00 0.00 N ATOM 315 CA ALA X 20 -18.371 6.475 17.105 1.00 0.00 C ATOM 316 C ALA X 20 -17.265 5.479 17.441 1.00 0.00 C ATOM 317 O ALA X 20 -16.308 5.321 16.682 1.00 0.00 O ATOM 318 CB ALA X 20 -19.692 5.729 16.911 1.00 0.00 C ATOM 0 H ALA X 20 -17.430 6.723 15.247 1.00 0.00 H new ATOM 0 HA ALA X 20 -18.472 7.181 17.929 1.00 0.00 H new ATOM 0 HB1 ALA X 20 -19.934 5.175 17.818 1.00 0.00 H new ATOM 0 HB2 ALA X 20 -20.487 6.445 16.700 1.00 0.00 H new ATOM 0 HB3 ALA X 20 -19.599 5.035 16.076 1.00 0.00 H new ATOM 324 N VAL X 21 -17.404 4.807 18.579 1.00 0.00 N ATOM 325 CA VAL X 21 -16.410 3.825 18.999 1.00 0.00 C ATOM 326 C VAL X 21 -17.038 2.437 19.080 1.00 0.00 C ATOM 327 O VAL X 21 -16.783 1.678 20.016 1.00 0.00 O ATOM 328 CB VAL X 21 -15.831 4.212 20.360 1.00 0.00 C ATOM 329 CG1 VAL X 21 -14.325 3.950 20.364 1.00 0.00 C ATOM 330 CG2 VAL X 21 -16.088 5.699 20.618 1.00 0.00 C ATOM 0 H VAL X 21 -18.187 4.922 19.222 1.00 0.00 H new ATOM 0 HA VAL X 21 -15.607 3.807 18.262 1.00 0.00 H new ATOM 0 HB VAL X 21 -16.307 3.619 21.141 1.00 0.00 H new ATOM 0 HG11 VAL X 21 -13.910 4.225 21.334 1.00 0.00 H new ATOM 0 HG12 VAL X 21 -14.139 2.892 20.177 1.00 0.00 H new ATOM 0 HG13 VAL X 21 -13.850 4.545 19.584 1.00 0.00 H new ATOM 0 HG21 VAL X 21 -15.676 5.977 21.588 1.00 0.00 H new ATOM 0 HG22 VAL X 21 -15.610 6.292 19.838 1.00 0.00 H new ATOM 0 HG23 VAL X 21 -17.161 5.889 20.612 1.00 0.00 H new ATOM 340 N ASP X 22 -17.862 2.117 18.088 1.00 0.00 N ATOM 341 CA ASP X 22 -18.532 0.823 18.037 1.00 0.00 C ATOM 342 C ASP X 22 -19.457 0.766 16.825 1.00 0.00 C ATOM 343 O ASP X 22 -20.302 -0.121 16.711 1.00 0.00 O ATOM 344 CB ASP X 22 -19.343 0.600 19.317 1.00 0.00 C ATOM 345 CG ASP X 22 -18.723 -0.526 20.138 1.00 0.00 C ATOM 346 OD1 ASP X 22 -18.774 -1.658 19.687 1.00 0.00 O ATOM 347 OD2 ASP X 22 -18.207 -0.239 21.205 1.00 0.00 O ATOM 0 H ASP X 22 -18.082 2.736 17.308 1.00 0.00 H new ATOM 0 HA ASP X 22 -17.779 0.039 17.952 1.00 0.00 H new ATOM 0 HB2 ASP X 22 -19.370 1.518 19.905 1.00 0.00 H new ATOM 0 HB3 ASP X 22 -20.374 0.352 19.065 1.00 0.00 H new ATOM 352 N ALA X 23 -19.282 1.727 15.923 1.00 0.00 N ATOM 353 CA ALA X 23 -20.094 1.800 14.714 1.00 0.00 C ATOM 354 C ALA X 23 -20.071 0.473 13.963 1.00 0.00 C ATOM 355 O ALA X 23 -20.968 0.184 13.173 1.00 0.00 O ATOM 356 CB ALA X 23 -19.571 2.912 13.803 1.00 0.00 C ATOM 0 H ALA X 23 -18.584 2.466 16.007 1.00 0.00 H new ATOM 0 HA ALA X 23 -21.122 2.017 15.005 1.00 0.00 H new ATOM 0 HB1 ALA X 23 -20.182 2.961 12.902 1.00 0.00 H new ATOM 0 HB2 ALA X 23 -19.621 3.866 14.328 1.00 0.00 H new ATOM 0 HB3 ALA X 23 -18.537 2.702 13.529 1.00 0.00 H new ATOM 362 N ALA X 24 -19.038 -0.326 14.209 1.00 0.00 N ATOM 363 CA ALA X 24 -18.911 -1.615 13.538 1.00 0.00 C ATOM 364 C ALA X 24 -20.136 -2.482 13.804 1.00 0.00 C ATOM 365 O ALA X 24 -20.638 -3.154 12.902 1.00 0.00 O ATOM 366 CB ALA X 24 -17.656 -2.338 14.032 1.00 0.00 C ATOM 0 H ALA X 24 -18.284 -0.107 14.861 1.00 0.00 H new ATOM 0 HA ALA X 24 -18.832 -1.438 12.465 1.00 0.00 H new ATOM 0 HB1 ALA X 24 -17.568 -3.300 13.527 1.00 0.00 H new ATOM 0 HB2 ALA X 24 -16.777 -1.731 13.814 1.00 0.00 H new ATOM 0 HB3 ALA X 24 -17.728 -2.499 15.108 1.00 0.00 H new ATOM 372 N THR X 25 -20.624 -2.459 15.039 1.00 0.00 N ATOM 373 CA THR X 25 -21.799 -3.244 15.391 1.00 0.00 C ATOM 374 C THR X 25 -23.055 -2.592 14.821 1.00 0.00 C ATOM 375 O THR X 25 -23.894 -3.257 14.214 1.00 0.00 O ATOM 376 CB THR X 25 -21.922 -3.353 16.914 1.00 0.00 C ATOM 377 OG1 THR X 25 -21.732 -2.070 17.496 1.00 0.00 O ATOM 378 CG2 THR X 25 -20.863 -4.320 17.447 1.00 0.00 C ATOM 0 H THR X 25 -20.229 -1.912 15.804 1.00 0.00 H new ATOM 0 HA THR X 25 -21.691 -4.243 14.968 1.00 0.00 H new ATOM 0 HB THR X 25 -22.913 -3.727 17.173 1.00 0.00 H new ATOM 0 HG1 THR X 25 -21.303 -1.476 16.845 1.00 0.00 H new ATOM 0 HG21 THR X 25 -20.952 -4.396 18.531 1.00 0.00 H new ATOM 0 HG22 THR X 25 -21.011 -5.303 17.001 1.00 0.00 H new ATOM 0 HG23 THR X 25 -19.870 -3.950 17.190 1.00 0.00 H new ATOM 386 N ALA X 26 -23.171 -1.282 15.017 1.00 0.00 N ATOM 387 CA ALA X 26 -24.321 -0.537 14.514 1.00 0.00 C ATOM 388 C ALA X 26 -24.299 -0.468 12.989 1.00 0.00 C ATOM 389 O ALA X 26 -25.335 -0.599 12.338 1.00 0.00 O ATOM 390 CB ALA X 26 -24.316 0.879 15.092 1.00 0.00 C ATOM 0 H ALA X 26 -22.486 -0.716 15.518 1.00 0.00 H new ATOM 0 HA ALA X 26 -25.228 -1.056 14.825 1.00 0.00 H new ATOM 0 HB1 ALA X 26 -25.177 1.430 14.713 1.00 0.00 H new ATOM 0 HB2 ALA X 26 -24.368 0.828 16.180 1.00 0.00 H new ATOM 0 HB3 ALA X 26 -23.400 1.390 14.796 1.00 0.00 H new ATOM 396 N GLU X 27 -23.113 -0.248 12.429 1.00 0.00 N ATOM 397 CA GLU X 27 -22.968 -0.151 10.980 1.00 0.00 C ATOM 398 C GLU X 27 -23.465 -1.419 10.295 1.00 0.00 C ATOM 399 O GLU X 27 -24.066 -1.361 9.223 1.00 0.00 O ATOM 400 CB GLU X 27 -21.499 0.079 10.617 1.00 0.00 C ATOM 401 CG GLU X 27 -21.083 1.491 11.030 1.00 0.00 C ATOM 402 CD GLU X 27 -21.152 2.427 9.828 1.00 0.00 C ATOM 403 OE1 GLU X 27 -20.220 2.417 9.040 1.00 0.00 O ATOM 404 OE2 GLU X 27 -22.136 3.139 9.712 1.00 0.00 O ATOM 0 H GLU X 27 -22.245 -0.134 12.952 1.00 0.00 H new ATOM 0 HA GLU X 27 -23.569 0.690 10.635 1.00 0.00 H new ATOM 0 HB2 GLU X 27 -20.871 -0.657 11.118 1.00 0.00 H new ATOM 0 HB3 GLU X 27 -21.354 -0.055 9.545 1.00 0.00 H new ATOM 0 HG2 GLU X 27 -21.737 1.855 11.823 1.00 0.00 H new ATOM 0 HG3 GLU X 27 -20.070 1.477 11.433 1.00 0.00 H new ATOM 411 N LYS X 28 -23.203 -2.565 10.915 1.00 0.00 N ATOM 412 CA LYS X 28 -23.623 -3.840 10.344 1.00 0.00 C ATOM 413 C LYS X 28 -25.141 -3.891 10.193 1.00 0.00 C ATOM 414 O LYS X 28 -25.659 -4.463 9.235 1.00 0.00 O ATOM 415 CB LYS X 28 -23.156 -4.990 11.241 1.00 0.00 C ATOM 416 CG LYS X 28 -22.329 -5.978 10.417 1.00 0.00 C ATOM 417 CD LYS X 28 -23.240 -6.696 9.419 1.00 0.00 C ATOM 418 CE LYS X 28 -22.463 -7.820 8.733 1.00 0.00 C ATOM 419 NZ LYS X 28 -21.618 -8.525 9.739 1.00 0.00 N ATOM 0 H LYS X 28 -22.707 -2.638 11.803 1.00 0.00 H new ATOM 0 HA LYS X 28 -23.172 -3.941 9.357 1.00 0.00 H new ATOM 0 HB2 LYS X 28 -22.560 -4.602 12.067 1.00 0.00 H new ATOM 0 HB3 LYS X 28 -24.016 -5.496 11.679 1.00 0.00 H new ATOM 0 HG2 LYS X 28 -21.535 -5.451 9.888 1.00 0.00 H new ATOM 0 HG3 LYS X 28 -21.848 -6.703 11.074 1.00 0.00 H new ATOM 0 HD2 LYS X 28 -24.110 -7.103 9.933 1.00 0.00 H new ATOM 0 HD3 LYS X 28 -23.610 -5.990 8.676 1.00 0.00 H new ATOM 0 HE2 LYS X 28 -23.154 -8.522 8.266 1.00 0.00 H new ATOM 0 HE3 LYS X 28 -21.838 -7.412 7.939 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 -21.347 -9.459 9.371 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 -20.762 -7.965 9.927 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 -22.155 -8.643 10.622 1.00 0.00 H new ATOM 433 N VAL X 29 -25.845 -3.289 11.145 1.00 0.00 N ATOM 434 CA VAL X 29 -27.302 -3.270 11.108 1.00 0.00 C ATOM 435 C VAL X 29 -27.801 -2.574 9.847 1.00 0.00 C ATOM 436 O VAL X 29 -28.762 -3.019 9.220 1.00 0.00 O ATOM 437 CB VAL X 29 -27.845 -2.541 12.338 1.00 0.00 C ATOM 438 CG1 VAL X 29 -29.342 -2.279 12.158 1.00 0.00 C ATOM 439 CG2 VAL X 29 -27.624 -3.406 13.582 1.00 0.00 C ATOM 0 H VAL X 29 -25.434 -2.811 11.947 1.00 0.00 H new ATOM 0 HA VAL X 29 -27.657 -4.300 11.105 1.00 0.00 H new ATOM 0 HB VAL X 29 -27.323 -1.592 12.457 1.00 0.00 H new ATOM 0 HG11 VAL X 29 -29.728 -1.759 13.035 1.00 0.00 H new ATOM 0 HG12 VAL X 29 -29.500 -1.663 11.273 1.00 0.00 H new ATOM 0 HG13 VAL X 29 -29.866 -3.227 12.038 1.00 0.00 H new ATOM 0 HG21 VAL X 29 -28.011 -2.887 14.459 1.00 0.00 H new ATOM 0 HG22 VAL X 29 -28.146 -4.355 13.462 1.00 0.00 H new ATOM 0 HG23 VAL X 29 -26.558 -3.592 13.711 1.00 0.00 H new ATOM 449 N PHE X 30 -27.151 -1.471 9.489 1.00 0.00 N ATOM 450 CA PHE X 30 -27.546 -0.711 8.308 1.00 0.00 C ATOM 451 C PHE X 30 -27.375 -1.536 7.035 1.00 0.00 C ATOM 452 O PHE X 30 -28.105 -1.346 6.063 1.00 0.00 O ATOM 453 CB PHE X 30 -26.716 0.569 8.212 1.00 0.00 C ATOM 454 CG PHE X 30 -27.461 1.691 8.895 1.00 0.00 C ATOM 455 CD1 PHE X 30 -27.697 1.635 10.274 1.00 0.00 C ATOM 456 CD2 PHE X 30 -27.920 2.783 8.150 1.00 0.00 C ATOM 457 CE1 PHE X 30 -28.392 2.672 10.908 1.00 0.00 C ATOM 458 CE2 PHE X 30 -28.615 3.821 8.784 1.00 0.00 C ATOM 459 CZ PHE X 30 -28.851 3.765 10.163 1.00 0.00 C ATOM 0 H PHE X 30 -26.354 -1.086 9.996 1.00 0.00 H new ATOM 0 HA PHE X 30 -28.601 -0.456 8.407 1.00 0.00 H new ATOM 0 HB2 PHE X 30 -25.743 0.423 8.681 1.00 0.00 H new ATOM 0 HB3 PHE X 30 -26.532 0.821 7.168 1.00 0.00 H new ATOM 0 HD1 PHE X 30 -27.343 0.792 10.849 1.00 0.00 H new ATOM 0 HD2 PHE X 30 -27.738 2.826 7.086 1.00 0.00 H new ATOM 0 HE1 PHE X 30 -28.574 2.629 11.972 1.00 0.00 H new ATOM 0 HE2 PHE X 30 -28.969 4.664 8.209 1.00 0.00 H new ATOM 0 HZ PHE X 30 -29.387 4.565 10.652 1.00 0.00 H new ATOM 469 N LYS X 31 -26.416 -2.456 7.045 1.00 0.00 N ATOM 470 CA LYS X 31 -26.177 -3.299 5.880 1.00 0.00 C ATOM 471 C LYS X 31 -27.294 -4.325 5.753 1.00 0.00 C ATOM 472 O LYS X 31 -27.721 -4.668 4.651 1.00 0.00 O ATOM 473 CB LYS X 31 -24.829 -4.009 6.013 1.00 0.00 C ATOM 474 CG LYS X 31 -23.789 -3.030 6.560 1.00 0.00 C ATOM 475 CD LYS X 31 -23.899 -1.696 5.818 1.00 0.00 C ATOM 476 CE LYS X 31 -22.773 -0.765 6.265 1.00 0.00 C ATOM 477 NZ LYS X 31 -23.149 -0.120 7.555 1.00 0.00 N ATOM 0 H LYS X 31 -25.799 -2.635 7.837 1.00 0.00 H new ATOM 0 HA LYS X 31 -26.159 -2.675 4.986 1.00 0.00 H new ATOM 0 HB2 LYS X 31 -24.922 -4.867 6.679 1.00 0.00 H new ATOM 0 HB3 LYS X 31 -24.510 -4.391 5.043 1.00 0.00 H new ATOM 0 HG2 LYS X 31 -23.945 -2.877 7.628 1.00 0.00 H new ATOM 0 HG3 LYS X 31 -22.787 -3.443 6.440 1.00 0.00 H new ATOM 0 HD2 LYS X 31 -23.842 -1.861 4.742 1.00 0.00 H new ATOM 0 HD3 LYS X 31 -24.866 -1.236 6.019 1.00 0.00 H new ATOM 0 HE2 LYS X 31 -21.846 -1.327 6.383 1.00 0.00 H new ATOM 0 HE3 LYS X 31 -22.591 -0.005 5.505 1.00 0.00 H new ATOM 0 HZ1 LYS X 31 -22.297 0.262 8.013 1.00 0.00 H new ATOM 0 HZ2 LYS X 31 -23.821 0.653 7.374 1.00 0.00 H new ATOM 0 HZ3 LYS X 31 -23.591 -0.824 8.179 1.00 0.00 H new ATOM 491 N GLN X 32 -27.772 -4.796 6.898 1.00 0.00 N ATOM 492 CA GLN X 32 -28.855 -5.768 6.922 1.00 0.00 C ATOM 493 C GLN X 32 -30.114 -5.155 6.322 1.00 0.00 C ATOM 494 O GLN X 32 -30.816 -5.791 5.536 1.00 0.00 O ATOM 495 CB GLN X 32 -29.133 -6.207 8.361 1.00 0.00 C ATOM 496 CG GLN X 32 -28.530 -7.592 8.600 1.00 0.00 C ATOM 497 CD GLN X 32 -28.684 -7.980 10.066 1.00 0.00 C ATOM 498 OE1 GLN X 32 -29.647 -8.652 10.434 1.00 0.00 O ATOM 499 NE2 GLN X 32 -27.786 -7.595 10.930 1.00 0.00 N ATOM 0 H GLN X 32 -27.428 -4.521 7.818 1.00 0.00 H new ATOM 0 HA GLN X 32 -28.562 -6.637 6.333 1.00 0.00 H new ATOM 0 HB2 GLN X 32 -28.706 -5.488 9.060 1.00 0.00 H new ATOM 0 HB3 GLN X 32 -30.207 -6.230 8.544 1.00 0.00 H new ATOM 0 HG2 GLN X 32 -29.025 -8.328 7.966 1.00 0.00 H new ATOM 0 HG3 GLN X 32 -27.476 -7.592 8.324 1.00 0.00 H new ATOM 0 HE21 GLN X 32 -26.989 -7.038 10.623 1.00 0.00 H new ATOM 0 HE22 GLN X 32 -27.881 -7.851 11.913 1.00 0.00 H new ATOM 508 N TYR X 33 -30.387 -3.906 6.691 1.00 0.00 N ATOM 509 CA TYR X 33 -31.557 -3.206 6.176 1.00 0.00 C ATOM 510 C TYR X 33 -31.375 -2.909 4.694 1.00 0.00 C ATOM 511 O TYR X 33 -32.320 -2.994 3.910 1.00 0.00 O ATOM 512 CB TYR X 33 -31.765 -1.898 6.941 1.00 0.00 C ATOM 513 CG TYR X 33 -32.637 -2.153 8.148 1.00 0.00 C ATOM 514 CD1 TYR X 33 -32.150 -2.915 9.217 1.00 0.00 C ATOM 515 CD2 TYR X 33 -33.933 -1.625 8.198 1.00 0.00 C ATOM 516 CE1 TYR X 33 -32.960 -3.151 10.334 1.00 0.00 C ATOM 517 CE2 TYR X 33 -34.743 -1.861 9.315 1.00 0.00 C ATOM 518 CZ TYR X 33 -34.257 -2.624 10.384 1.00 0.00 C ATOM 519 OH TYR X 33 -35.055 -2.856 11.485 1.00 0.00 O ATOM 0 H TYR X 33 -29.818 -3.363 7.340 1.00 0.00 H new ATOM 0 HA TYR X 33 -32.433 -3.841 6.310 1.00 0.00 H new ATOM 0 HB2 TYR X 33 -30.804 -1.490 7.253 1.00 0.00 H new ATOM 0 HB3 TYR X 33 -32.231 -1.156 6.293 1.00 0.00 H new ATOM 0 HD1 TYR X 33 -31.150 -3.321 9.180 1.00 0.00 H new ATOM 0 HD2 TYR X 33 -34.308 -1.035 7.374 1.00 0.00 H new ATOM 0 HE1 TYR X 33 -32.585 -3.740 11.158 1.00 0.00 H new ATOM 0 HE2 TYR X 33 -35.743 -1.455 9.352 1.00 0.00 H new ATOM 0 HH TYR X 33 -35.923 -2.419 11.358 1.00 0.00 H new ATOM 529 N ALA X 34 -30.144 -2.576 4.317 1.00 0.00 N ATOM 530 CA ALA X 34 -29.834 -2.282 2.926 1.00 0.00 C ATOM 531 C ALA X 34 -29.921 -3.560 2.106 1.00 0.00 C ATOM 532 O ALA X 34 -30.392 -3.551 0.969 1.00 0.00 O ATOM 533 CB ALA X 34 -28.428 -1.688 2.822 1.00 0.00 C ATOM 0 H ALA X 34 -29.350 -2.504 4.953 1.00 0.00 H new ATOM 0 HA ALA X 34 -30.552 -1.558 2.540 1.00 0.00 H new ATOM 0 HB1 ALA X 34 -28.201 -1.470 1.778 1.00 0.00 H new ATOM 0 HB2 ALA X 34 -28.378 -0.768 3.404 1.00 0.00 H new ATOM 0 HB3 ALA X 34 -27.702 -2.402 3.209 1.00 0.00 H new ATOM 539 N ASN X 35 -29.474 -4.663 2.698 1.00 0.00 N ATOM 540 CA ASN X 35 -29.521 -5.950 2.020 1.00 0.00 C ATOM 541 C ASN X 35 -30.955 -6.267 1.607 1.00 0.00 C ATOM 542 O ASN X 35 -31.213 -6.659 0.469 1.00 0.00 O ATOM 543 CB ASN X 35 -28.999 -7.052 2.945 1.00 0.00 C ATOM 544 CG ASN X 35 -29.170 -8.413 2.281 1.00 0.00 C ATOM 545 OD1 ASN X 35 -30.271 -8.961 2.260 1.00 0.00 O ATOM 546 ND2 ASN X 35 -28.138 -8.995 1.733 1.00 0.00 N ATOM 0 H ASN X 35 -29.079 -4.690 3.638 1.00 0.00 H new ATOM 0 HA ASN X 35 -28.891 -5.902 1.132 1.00 0.00 H new ATOM 0 HB2 ASN X 35 -27.947 -6.879 3.173 1.00 0.00 H new ATOM 0 HB3 ASN X 35 -29.539 -7.030 3.892 1.00 0.00 H new ATOM 0 HD21 ASN X 35 -28.244 -9.906 1.286 1.00 0.00 H new ATOM 0 HD22 ASN X 35 -27.226 -8.539 1.751 1.00 0.00 H new ATOM 553 N ASP X 36 -31.886 -6.082 2.539 1.00 0.00 N ATOM 554 CA ASP X 36 -33.293 -6.340 2.261 1.00 0.00 C ATOM 555 C ASP X 36 -33.777 -5.429 1.140 1.00 0.00 C ATOM 556 O ASP X 36 -34.725 -5.755 0.424 1.00 0.00 O ATOM 557 CB ASP X 36 -34.130 -6.102 3.520 1.00 0.00 C ATOM 558 CG ASP X 36 -35.034 -7.302 3.781 1.00 0.00 C ATOM 559 OD1 ASP X 36 -35.458 -7.920 2.818 1.00 0.00 O ATOM 560 OD2 ASP X 36 -35.289 -7.584 4.941 1.00 0.00 O ATOM 0 H ASP X 36 -31.692 -5.757 3.486 1.00 0.00 H new ATOM 0 HA ASP X 36 -33.406 -7.379 1.951 1.00 0.00 H new ATOM 0 HB2 ASP X 36 -33.475 -5.937 4.376 1.00 0.00 H new ATOM 0 HB3 ASP X 36 -34.733 -5.202 3.401 1.00 0.00 H new ATOM 565 N ASN X 37 -33.111 -4.288 0.988 1.00 0.00 N ATOM 566 CA ASN X 37 -33.471 -3.336 -0.056 1.00 0.00 C ATOM 567 C ASN X 37 -32.774 -3.703 -1.360 1.00 0.00 C ATOM 568 O ASN X 37 -33.035 -3.109 -2.407 1.00 0.00 O ATOM 569 CB ASN X 37 -33.069 -1.921 0.362 1.00 0.00 C ATOM 570 CG ASN X 37 -33.356 -0.942 -0.770 1.00 0.00 C ATOM 571 OD1 ASN X 37 -34.477 -0.887 -1.275 1.00 0.00 O ATOM 572 ND2 ASN X 37 -32.403 -0.161 -1.202 1.00 0.00 N ATOM 0 H ASN X 37 -32.324 -4.002 1.571 1.00 0.00 H new ATOM 0 HA ASN X 37 -34.550 -3.371 -0.205 1.00 0.00 H new ATOM 0 HB2 ASN X 37 -33.619 -1.627 1.256 1.00 0.00 H new ATOM 0 HB3 ASN X 37 -32.009 -1.895 0.616 1.00 0.00 H new ATOM 0 HD21 ASN X 37 -32.587 0.497 -1.960 1.00 0.00 H new ATOM 0 HD22 ASN X 37 -31.475 -0.209 -0.782 1.00 0.00 H new ATOM 579 N GLY X 38 -31.889 -4.692 -1.288 1.00 0.00 N ATOM 580 CA GLY X 38 -31.159 -5.144 -2.466 1.00 0.00 C ATOM 581 C GLY X 38 -29.804 -4.451 -2.584 1.00 0.00 C ATOM 582 O GLY X 38 -29.238 -4.369 -3.674 1.00 0.00 O ATOM 0 H GLY X 38 -31.661 -5.194 -0.430 1.00 0.00 H new ATOM 0 HA2 GLY X 38 -31.014 -6.223 -2.414 1.00 0.00 H new ATOM 0 HA3 GLY X 38 -31.750 -4.945 -3.360 1.00 0.00 H new ATOM 586 N VAL X 39 -29.282 -3.955 -1.464 1.00 0.00 N ATOM 587 CA VAL X 39 -27.989 -3.279 -1.479 1.00 0.00 C ATOM 588 C VAL X 39 -26.858 -4.287 -1.291 1.00 0.00 C ATOM 589 O VAL X 39 -26.674 -4.831 -0.202 1.00 0.00 O ATOM 590 CB VAL X 39 -27.936 -2.231 -0.368 1.00 0.00 C ATOM 591 CG1 VAL X 39 -26.514 -1.680 -0.254 1.00 0.00 C ATOM 592 CG2 VAL X 39 -28.901 -1.091 -0.696 1.00 0.00 C ATOM 0 H VAL X 39 -29.727 -4.007 -0.548 1.00 0.00 H new ATOM 0 HA VAL X 39 -27.865 -2.788 -2.444 1.00 0.00 H new ATOM 0 HB VAL X 39 -28.224 -2.689 0.578 1.00 0.00 H new ATOM 0 HG11 VAL X 39 -26.476 -0.932 0.538 1.00 0.00 H new ATOM 0 HG12 VAL X 39 -25.827 -2.493 -0.019 1.00 0.00 H new ATOM 0 HG13 VAL X 39 -26.225 -1.222 -1.200 1.00 0.00 H new ATOM 0 HG21 VAL X 39 -28.864 -0.343 0.096 1.00 0.00 H new ATOM 0 HG22 VAL X 39 -28.614 -0.632 -1.642 1.00 0.00 H new ATOM 0 HG23 VAL X 39 -29.915 -1.484 -0.776 1.00 0.00 H new ATOM 602 N ASP X 40 -26.105 -4.529 -2.360 1.00 0.00 N ATOM 603 CA ASP X 40 -24.994 -5.473 -2.306 1.00 0.00 C ATOM 604 C ASP X 40 -23.707 -4.825 -2.809 1.00 0.00 C ATOM 605 O ASP X 40 -23.731 -3.750 -3.406 1.00 0.00 O ATOM 606 CB ASP X 40 -25.313 -6.704 -3.157 1.00 0.00 C ATOM 607 CG ASP X 40 -24.777 -7.958 -2.476 1.00 0.00 C ATOM 608 OD1 ASP X 40 -25.142 -8.191 -1.335 1.00 0.00 O ATOM 609 OD2 ASP X 40 -24.009 -8.668 -3.105 1.00 0.00 O ATOM 0 H ASP X 40 -26.243 -4.087 -3.269 1.00 0.00 H new ATOM 0 HA ASP X 40 -24.851 -5.774 -1.268 1.00 0.00 H new ATOM 0 HB2 ASP X 40 -26.390 -6.789 -3.300 1.00 0.00 H new ATOM 0 HB3 ASP X 40 -24.868 -6.598 -4.146 1.00 0.00 H new ATOM 614 N GLY X 41 -22.586 -5.496 -2.568 1.00 0.00 N ATOM 615 CA GLY X 41 -21.290 -4.990 -3.002 1.00 0.00 C ATOM 616 C GLY X 41 -20.166 -5.586 -2.164 1.00 0.00 C ATOM 617 O GLY X 41 -20.407 -6.389 -1.263 1.00 0.00 O ATOM 0 H GLY X 41 -22.549 -6.389 -2.076 1.00 0.00 H new ATOM 0 HA2 GLY X 41 -21.134 -5.233 -4.053 1.00 0.00 H new ATOM 0 HA3 GLY X 41 -21.273 -3.903 -2.920 1.00 0.00 H new ATOM 621 N GLU X 42 -18.936 -5.187 -2.468 1.00 0.00 N ATOM 622 CA GLU X 42 -17.777 -5.687 -1.738 1.00 0.00 C ATOM 623 C GLU X 42 -17.503 -4.819 -0.515 1.00 0.00 C ATOM 624 O GLU X 42 -17.191 -3.639 -0.637 1.00 0.00 O ATOM 625 CB GLU X 42 -16.551 -5.684 -2.652 1.00 0.00 C ATOM 626 CG GLU X 42 -16.299 -4.261 -3.160 1.00 0.00 C ATOM 627 CD GLU X 42 -15.786 -4.300 -4.596 1.00 0.00 C ATOM 628 OE1 GLU X 42 -16.144 -5.223 -5.308 1.00 0.00 O ATOM 629 OE2 GLU X 42 -15.043 -3.405 -4.962 1.00 0.00 O ATOM 0 H GLU X 42 -18.716 -4.523 -3.210 1.00 0.00 H new ATOM 0 HA GLU X 42 -17.985 -6.705 -1.408 1.00 0.00 H new ATOM 0 HB2 GLU X 42 -15.678 -6.048 -2.110 1.00 0.00 H new ATOM 0 HB3 GLU X 42 -16.709 -6.360 -3.493 1.00 0.00 H new ATOM 0 HG2 GLU X 42 -17.220 -3.680 -3.110 1.00 0.00 H new ATOM 0 HG3 GLU X 42 -15.572 -3.761 -2.519 1.00 0.00 H new ATOM 636 N TRP X 43 -17.610 -5.409 0.665 1.00 0.00 N ATOM 637 CA TRP X 43 -17.368 -4.658 1.890 1.00 0.00 C ATOM 638 C TRP X 43 -15.985 -4.984 2.445 1.00 0.00 C ATOM 639 O TRP X 43 -15.485 -6.097 2.282 1.00 0.00 O ATOM 640 CB TRP X 43 -18.429 -5.017 2.937 1.00 0.00 C ATOM 641 CG TRP X 43 -19.772 -4.507 2.511 1.00 0.00 C ATOM 642 CD1 TRP X 43 -20.634 -5.161 1.694 1.00 0.00 C ATOM 643 CD2 TRP X 43 -20.427 -3.256 2.875 1.00 0.00 C ATOM 644 NE1 TRP X 43 -21.774 -4.389 1.534 1.00 0.00 N ATOM 645 CE2 TRP X 43 -21.692 -3.205 2.240 1.00 0.00 C ATOM 646 CE3 TRP X 43 -20.046 -2.169 3.684 1.00 0.00 C ATOM 647 CZ2 TRP X 43 -22.548 -2.116 2.404 1.00 0.00 C ATOM 648 CZ3 TRP X 43 -20.906 -1.071 3.851 1.00 0.00 C ATOM 649 CH2 TRP X 43 -22.154 -1.044 3.211 1.00 0.00 C ATOM 0 H TRP X 43 -17.858 -6.389 0.802 1.00 0.00 H new ATOM 0 HA TRP X 43 -17.422 -3.593 1.662 1.00 0.00 H new ATOM 0 HB2 TRP X 43 -18.468 -6.098 3.069 1.00 0.00 H new ATOM 0 HB3 TRP X 43 -18.158 -4.587 3.901 1.00 0.00 H new ATOM 0 HD1 TRP X 43 -20.461 -6.126 1.242 1.00 0.00 H new ATOM 0 HE1 TRP X 43 -22.575 -4.662 0.965 1.00 0.00 H new ATOM 0 HE3 TRP X 43 -19.086 -2.179 4.179 1.00 0.00 H new ATOM 0 HZ2 TRP X 43 -23.509 -2.101 1.911 1.00 0.00 H new ATOM 0 HZ3 TRP X 43 -20.605 -0.243 4.476 1.00 0.00 H new ATOM 0 HH2 TRP X 43 -22.810 -0.196 3.341 1.00 0.00 H new ATOM 660 N THR X 44 -15.366 -4.000 3.094 1.00 0.00 N ATOM 661 CA THR X 44 -14.033 -4.190 3.659 1.00 0.00 C ATOM 662 C THR X 44 -13.785 -3.209 4.801 1.00 0.00 C ATOM 663 O THR X 44 -14.562 -2.279 5.014 1.00 0.00 O ATOM 664 CB THR X 44 -12.977 -3.982 2.572 1.00 0.00 C ATOM 665 OG1 THR X 44 -11.772 -4.631 2.954 1.00 0.00 O ATOM 666 CG2 THR X 44 -12.718 -2.486 2.390 1.00 0.00 C ATOM 0 H THR X 44 -15.762 -3.072 3.241 1.00 0.00 H new ATOM 0 HA THR X 44 -13.966 -5.206 4.049 1.00 0.00 H new ATOM 0 HB THR X 44 -13.334 -4.403 1.632 1.00 0.00 H new ATOM 0 HG1 THR X 44 -11.095 -4.500 2.258 1.00 0.00 H new ATOM 0 HG21 THR X 44 -11.965 -2.339 1.615 1.00 0.00 H new ATOM 0 HG22 THR X 44 -13.643 -1.990 2.096 1.00 0.00 H new ATOM 0 HG23 THR X 44 -12.361 -2.062 3.328 1.00 0.00 H new ATOM 674 N TYR X 45 -12.696 -3.425 5.535 1.00 0.00 N ATOM 675 CA TYR X 45 -12.356 -2.555 6.654 1.00 0.00 C ATOM 676 C TYR X 45 -11.074 -1.777 6.369 1.00 0.00 C ATOM 677 O TYR X 45 -9.973 -2.317 6.480 1.00 0.00 O ATOM 678 CB TYR X 45 -12.177 -3.387 7.924 1.00 0.00 C ATOM 679 CG TYR X 45 -13.467 -4.105 8.239 1.00 0.00 C ATOM 680 CD1 TYR X 45 -13.906 -5.150 7.417 1.00 0.00 C ATOM 681 CD2 TYR X 45 -14.227 -3.724 9.352 1.00 0.00 C ATOM 682 CE1 TYR X 45 -15.104 -5.813 7.707 1.00 0.00 C ATOM 683 CE2 TYR X 45 -15.425 -4.387 9.642 1.00 0.00 C ATOM 684 CZ TYR X 45 -15.864 -5.433 8.820 1.00 0.00 C ATOM 685 OH TYR X 45 -17.045 -6.086 9.105 1.00 0.00 O ATOM 0 H TYR X 45 -12.039 -4.189 5.376 1.00 0.00 H new ATOM 0 HA TYR X 45 -13.171 -1.844 6.793 1.00 0.00 H new ATOM 0 HB2 TYR X 45 -11.370 -4.108 7.789 1.00 0.00 H new ATOM 0 HB3 TYR X 45 -11.893 -2.743 8.757 1.00 0.00 H new ATOM 0 HD1 TYR X 45 -13.320 -5.445 6.559 1.00 0.00 H new ATOM 0 HD2 TYR X 45 -13.889 -2.918 9.987 1.00 0.00 H new ATOM 0 HE1 TYR X 45 -15.443 -6.618 7.072 1.00 0.00 H new ATOM 0 HE2 TYR X 45 -16.011 -4.092 10.500 1.00 0.00 H new ATOM 0 HH TYR X 45 -17.446 -5.699 9.911 1.00 0.00 H new ATOM 695 N ASP X 46 -11.224 -0.506 6.010 1.00 0.00 N ATOM 696 CA ASP X 46 -10.068 0.337 5.719 1.00 0.00 C ATOM 697 C ASP X 46 -9.781 1.264 6.896 1.00 0.00 C ATOM 698 O ASP X 46 -10.697 1.703 7.591 1.00 0.00 O ATOM 699 CB ASP X 46 -10.328 1.170 4.459 1.00 0.00 C ATOM 700 CG ASP X 46 -9.231 0.919 3.429 1.00 0.00 C ATOM 701 OD1 ASP X 46 -8.071 1.069 3.778 1.00 0.00 O ATOM 702 OD2 ASP X 46 -9.568 0.580 2.307 1.00 0.00 O ATOM 0 H ASP X 46 -12.126 -0.040 5.914 1.00 0.00 H new ATOM 0 HA ASP X 46 -9.203 -0.305 5.553 1.00 0.00 H new ATOM 0 HB2 ASP X 46 -11.299 0.912 4.037 1.00 0.00 H new ATOM 0 HB3 ASP X 46 -10.362 2.229 4.714 1.00 0.00 H new ATOM 707 N ASP X 47 -8.503 1.558 7.115 1.00 0.00 N ATOM 708 CA ASP X 47 -8.109 2.433 8.213 1.00 0.00 C ATOM 709 C ASP X 47 -7.189 3.542 7.714 1.00 0.00 C ATOM 710 O ASP X 47 -7.253 4.676 8.189 1.00 0.00 O ATOM 711 CB ASP X 47 -7.394 1.620 9.296 1.00 0.00 C ATOM 712 CG ASP X 47 -7.326 2.424 10.590 1.00 0.00 C ATOM 713 OD1 ASP X 47 -7.622 3.608 10.546 1.00 0.00 O ATOM 714 OD2 ASP X 47 -6.980 1.845 11.607 1.00 0.00 O ATOM 0 H ASP X 47 -7.729 1.206 6.552 1.00 0.00 H new ATOM 0 HA ASP X 47 -9.007 2.886 8.632 1.00 0.00 H new ATOM 0 HB2 ASP X 47 -7.923 0.683 9.468 1.00 0.00 H new ATOM 0 HB3 ASP X 47 -6.388 1.362 8.965 1.00 0.00 H new ATOM 719 N ALA X 48 -6.331 3.208 6.755 1.00 0.00 N ATOM 720 CA ALA X 48 -5.402 4.187 6.202 1.00 0.00 C ATOM 721 C ALA X 48 -6.151 5.428 5.726 1.00 0.00 C ATOM 722 O ALA X 48 -5.663 6.550 5.861 1.00 0.00 O ATOM 723 CB ALA X 48 -4.632 3.572 5.032 1.00 0.00 C ATOM 0 H ALA X 48 -6.260 2.276 6.348 1.00 0.00 H new ATOM 0 HA ALA X 48 -4.701 4.478 6.985 1.00 0.00 H new ATOM 0 HB1 ALA X 48 -3.940 4.309 4.624 1.00 0.00 H new ATOM 0 HB2 ALA X 48 -4.073 2.704 5.381 1.00 0.00 H new ATOM 0 HB3 ALA X 48 -5.333 3.265 4.256 1.00 0.00 H new ATOM 729 N THR X 49 -7.341 5.218 5.174 1.00 0.00 N ATOM 730 CA THR X 49 -8.154 6.326 4.687 1.00 0.00 C ATOM 731 C THR X 49 -9.486 6.372 5.428 1.00 0.00 C ATOM 732 O THR X 49 -10.370 7.159 5.089 1.00 0.00 O ATOM 733 CB THR X 49 -8.404 6.171 3.184 1.00 0.00 C ATOM 734 OG1 THR X 49 -8.001 4.874 2.768 1.00 0.00 O ATOM 735 CG2 THR X 49 -7.602 7.225 2.416 1.00 0.00 C ATOM 0 H THR X 49 -7.762 4.297 5.053 1.00 0.00 H new ATOM 0 HA THR X 49 -7.617 7.257 4.868 1.00 0.00 H new ATOM 0 HB THR X 49 -9.466 6.306 2.980 1.00 0.00 H new ATOM 0 HG1 THR X 49 -8.162 4.774 1.807 1.00 0.00 H new ATOM 0 HG21 THR X 49 -7.782 7.112 1.347 1.00 0.00 H new ATOM 0 HG22 THR X 49 -7.912 8.221 2.733 1.00 0.00 H new ATOM 0 HG23 THR X 49 -6.539 7.094 2.621 1.00 0.00 H new ATOM 743 N LYS X 50 -9.621 5.520 6.440 1.00 0.00 N ATOM 744 CA LYS X 50 -10.851 5.467 7.224 1.00 0.00 C ATOM 745 C LYS X 50 -12.065 5.636 6.320 1.00 0.00 C ATOM 746 O LYS X 50 -12.854 6.566 6.490 1.00 0.00 O ATOM 747 CB LYS X 50 -10.843 6.564 8.290 1.00 0.00 C ATOM 748 CG LYS X 50 -10.030 6.092 9.497 1.00 0.00 C ATOM 749 CD LYS X 50 -9.607 7.300 10.334 1.00 0.00 C ATOM 750 CE LYS X 50 -8.170 7.690 9.981 1.00 0.00 C ATOM 751 NZ LYS X 50 -7.248 6.580 10.351 1.00 0.00 N ATOM 0 H LYS X 50 -8.900 4.862 6.735 1.00 0.00 H new ATOM 0 HA LYS X 50 -10.908 4.494 7.712 1.00 0.00 H new ATOM 0 HB2 LYS X 50 -10.413 7.479 7.883 1.00 0.00 H new ATOM 0 HB3 LYS X 50 -11.863 6.799 8.594 1.00 0.00 H new ATOM 0 HG2 LYS X 50 -10.623 5.407 10.103 1.00 0.00 H new ATOM 0 HG3 LYS X 50 -9.150 5.542 9.163 1.00 0.00 H new ATOM 0 HD2 LYS X 50 -10.279 8.138 10.147 1.00 0.00 H new ATOM 0 HD3 LYS X 50 -9.680 7.064 11.396 1.00 0.00 H new ATOM 0 HE2 LYS X 50 -8.091 7.902 8.915 1.00 0.00 H new ATOM 0 HE3 LYS X 50 -7.889 8.601 10.509 1.00 0.00 H new ATOM 0 HZ1 LYS X 50 -6.322 6.972 10.617 1.00 0.00 H new ATOM 0 HZ2 LYS X 50 -7.645 6.053 11.155 1.00 0.00 H new ATOM 0 HZ3 LYS X 50 -7.133 5.940 9.540 1.00 0.00 H new ATOM 765 N THR X 51 -12.208 4.733 5.358 1.00 0.00 N ATOM 766 CA THR X 51 -13.329 4.792 4.429 1.00 0.00 C ATOM 767 C THR X 51 -13.739 3.393 3.987 1.00 0.00 C ATOM 768 O THR X 51 -12.893 2.552 3.681 1.00 0.00 O ATOM 769 CB THR X 51 -12.947 5.624 3.204 1.00 0.00 C ATOM 770 OG1 THR X 51 -14.111 5.889 2.434 1.00 0.00 O ATOM 771 CG2 THR X 51 -11.938 4.850 2.354 1.00 0.00 C ATOM 0 H THR X 51 -11.566 3.956 5.201 1.00 0.00 H new ATOM 0 HA THR X 51 -14.172 5.258 4.939 1.00 0.00 H new ATOM 0 HB THR X 51 -12.501 6.565 3.527 1.00 0.00 H new ATOM 0 HG1 THR X 51 -13.869 6.424 1.649 1.00 0.00 H new ATOM 0 HG21 THR X 51 -11.666 5.444 1.481 1.00 0.00 H new ATOM 0 HG22 THR X 51 -11.046 4.645 2.945 1.00 0.00 H new ATOM 0 HG23 THR X 51 -12.382 3.909 2.029 1.00 0.00 H new ATOM 779 N PHE X 52 -15.046 3.154 3.947 1.00 0.00 N ATOM 780 CA PHE X 52 -15.575 1.859 3.532 1.00 0.00 C ATOM 781 C PHE X 52 -16.171 1.991 2.133 1.00 0.00 C ATOM 782 O PHE X 52 -16.780 3.011 1.810 1.00 0.00 O ATOM 783 CB PHE X 52 -16.670 1.399 4.505 1.00 0.00 C ATOM 784 CG PHE X 52 -16.066 0.671 5.688 1.00 0.00 C ATOM 785 CD1 PHE X 52 -14.774 0.977 6.132 1.00 0.00 C ATOM 786 CD2 PHE X 52 -16.817 -0.308 6.352 1.00 0.00 C ATOM 787 CE1 PHE X 52 -14.233 0.306 7.236 1.00 0.00 C ATOM 788 CE2 PHE X 52 -16.275 -0.981 7.454 1.00 0.00 C ATOM 789 CZ PHE X 52 -14.984 -0.672 7.896 1.00 0.00 C ATOM 0 H PHE X 52 -15.758 3.840 4.197 1.00 0.00 H new ATOM 0 HA PHE X 52 -14.769 1.125 3.530 1.00 0.00 H new ATOM 0 HB2 PHE X 52 -17.238 2.261 4.854 1.00 0.00 H new ATOM 0 HB3 PHE X 52 -17.371 0.744 3.988 1.00 0.00 H new ATOM 0 HD1 PHE X 52 -14.193 1.732 5.622 1.00 0.00 H new ATOM 0 HD2 PHE X 52 -17.815 -0.544 6.013 1.00 0.00 H new ATOM 0 HE1 PHE X 52 -13.236 0.544 7.577 1.00 0.00 H new ATOM 0 HE2 PHE X 52 -16.853 -1.738 7.962 1.00 0.00 H new ATOM 0 HZ PHE X 52 -14.567 -1.189 8.748 1.00 0.00 H new ATOM 799 N THR X 53 -15.987 0.973 1.299 1.00 0.00 N ATOM 800 CA THR X 53 -16.512 1.030 -0.064 1.00 0.00 C ATOM 801 C THR X 53 -17.164 -0.291 -0.459 1.00 0.00 C ATOM 802 O THR X 53 -16.675 -1.364 -0.106 1.00 0.00 O ATOM 803 CB THR X 53 -15.382 1.355 -1.045 1.00 0.00 C ATOM 804 OG1 THR X 53 -14.838 0.146 -1.555 1.00 0.00 O ATOM 805 CG2 THR X 53 -14.288 2.146 -0.325 1.00 0.00 C ATOM 0 H THR X 53 -15.489 0.114 1.534 1.00 0.00 H new ATOM 0 HA THR X 53 -17.269 1.813 -0.101 1.00 0.00 H new ATOM 0 HB THR X 53 -15.776 1.952 -1.867 1.00 0.00 H new ATOM 0 HG1 THR X 53 -14.116 0.352 -2.184 1.00 0.00 H new ATOM 0 HG21 THR X 53 -13.485 2.376 -1.025 1.00 0.00 H new ATOM 0 HG22 THR X 53 -14.707 3.074 0.065 1.00 0.00 H new ATOM 0 HG23 THR X 53 -13.892 1.552 0.499 1.00 0.00 H new ATOM 813 N VAL X 54 -18.272 -0.205 -1.193 1.00 0.00 N ATOM 814 CA VAL X 54 -18.973 -1.407 -1.624 1.00 0.00 C ATOM 815 C VAL X 54 -19.636 -1.205 -2.982 1.00 0.00 C ATOM 816 O VAL X 54 -20.439 -0.292 -3.169 1.00 0.00 O ATOM 817 CB VAL X 54 -20.005 -1.809 -0.561 1.00 0.00 C ATOM 818 CG1 VAL X 54 -19.705 -1.048 0.731 1.00 0.00 C ATOM 819 CG2 VAL X 54 -21.428 -1.469 -1.025 1.00 0.00 C ATOM 0 H VAL X 54 -18.696 0.671 -1.497 1.00 0.00 H new ATOM 0 HA VAL X 54 -18.248 -2.213 -1.737 1.00 0.00 H new ATOM 0 HB VAL X 54 -19.941 -2.885 -0.397 1.00 0.00 H new ATOM 0 HG11 VAL X 54 -20.432 -1.326 1.494 1.00 0.00 H new ATOM 0 HG12 VAL X 54 -18.702 -1.299 1.077 1.00 0.00 H new ATOM 0 HG13 VAL X 54 -19.766 0.024 0.544 1.00 0.00 H new ATOM 0 HG21 VAL X 54 -22.142 -1.763 -0.255 1.00 0.00 H new ATOM 0 HG22 VAL X 54 -21.506 -0.396 -1.202 1.00 0.00 H new ATOM 0 HG23 VAL X 54 -21.648 -2.006 -1.948 1.00 0.00 H new ATOM 829 N THR X 55 -19.288 -2.077 -3.922 1.00 0.00 N ATOM 830 CA THR X 55 -19.848 -2.006 -5.266 1.00 0.00 C ATOM 831 C THR X 55 -20.474 -3.339 -5.656 1.00 0.00 C ATOM 832 O THR X 55 -19.777 -4.348 -5.755 1.00 0.00 O ATOM 833 CB THR X 55 -18.755 -1.641 -6.273 1.00 0.00 C ATOM 834 OG1 THR X 55 -17.606 -1.173 -5.579 1.00 0.00 O ATOM 835 CG2 THR X 55 -19.269 -0.547 -7.211 1.00 0.00 C ATOM 0 H THR X 55 -18.624 -2.838 -3.779 1.00 0.00 H new ATOM 0 HA THR X 55 -20.620 -1.237 -5.275 1.00 0.00 H new ATOM 0 HB THR X 55 -18.490 -2.523 -6.856 1.00 0.00 H new ATOM 0 HG1 THR X 55 -16.906 -0.941 -6.224 1.00 0.00 H new ATOM 0 HG21 THR X 55 -18.490 -0.287 -7.928 1.00 0.00 H new ATOM 0 HG22 THR X 55 -20.148 -0.909 -7.745 1.00 0.00 H new ATOM 0 HG23 THR X 55 -19.536 0.335 -6.629 1.00 0.00 H new ATOM 843 N GLU X 56 -21.787 -3.324 -5.878 1.00 0.00 N ATOM 844 CA GLU X 56 -22.526 -4.528 -6.266 1.00 0.00 C ATOM 845 C GLU X 56 -21.586 -5.710 -6.486 1.00 0.00 C ATOM 846 O GLU X 56 -21.631 -6.633 -5.691 1.00 0.00 O ATOM 847 CB GLU X 56 -23.312 -4.256 -7.552 1.00 0.00 C ATOM 848 CG GLU X 56 -23.947 -5.554 -8.054 1.00 0.00 C ATOM 849 CD GLU X 56 -24.909 -6.104 -7.008 1.00 0.00 C ATOM 850 OE1 GLU X 56 -25.402 -5.319 -6.214 1.00 0.00 O ATOM 851 OE2 GLU X 56 -25.140 -7.302 -7.015 1.00 0.00 O ATOM 852 OXT GLU X 56 -20.835 -5.674 -7.448 1.00 0.00 O ATOM 0 H GLU X 56 -22.365 -2.488 -5.796 1.00 0.00 H new ATOM 0 HA GLU X 56 -23.210 -4.781 -5.456 1.00 0.00 H new ATOM 0 HB2 GLU X 56 -24.085 -3.510 -7.366 1.00 0.00 H new ATOM 0 HB3 GLU X 56 -22.650 -3.846 -8.314 1.00 0.00 H new ATOM 0 HG2 GLU X 56 -24.479 -5.371 -8.988 1.00 0.00 H new ATOM 0 HG3 GLU X 56 -23.171 -6.289 -8.268 1.00 0.00 H new