USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 534 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 43 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 45 ASN : amide:sc= -0.301 K(o=1.9,f=-0.61!) USER MOD Set 2.2: A 49 SER OG : rot -111:sc= 2.22 USER MOD Set 3.1: A 16 GLN : amide:sc= -0.641 K(o=-1.1,f=0.04) USER MOD Set 3.2: A 31 ASN : amide:sc= -0.435 K(o=-1.1,f=0.04) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -122:sc= 0.0828 (180deg=-0.172) USER MOD Single : A 3 GLN : amide:sc=-0.00891 K(o=-0.0089,f=-0.53) USER MOD Single : A 6 THR OG1 : rot -160:sc= -1.47 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 87:sc= 0.84 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0345 X(o=-0.034,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.259 X(o=-0.26,f=-0.0045) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.578 X(o=-0.58,f=-0.89) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -2.92 K(o=-2.9,f=0.049!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.831 13.563 -3.837 1.00 0.00 N ATOM 2 CA MET A 1 -1.015 13.727 -2.604 1.00 0.00 C ATOM 3 C MET A 1 0.003 12.599 -2.464 1.00 0.00 C ATOM 4 O MET A 1 0.031 11.670 -3.271 1.00 0.00 O ATOM 5 CB MET A 1 -1.953 13.746 -1.397 1.00 0.00 C ATOM 6 CG MET A 1 -2.825 14.989 -1.322 1.00 0.00 C ATOM 7 SD MET A 1 -2.311 16.124 -0.017 1.00 0.00 S ATOM 8 CE MET A 1 -3.562 17.397 -0.165 1.00 0.00 C ATOM 0 H1 MET A 1 -1.728 14.407 -4.436 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.506 12.725 -4.360 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.831 13.443 -3.578 1.00 0.00 H new ATOM 0 HA MET A 1 -0.461 14.664 -2.663 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.594 12.865 -1.432 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.360 13.673 -0.485 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.795 15.507 -2.281 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.860 14.692 -1.152 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.380 18.174 0.578 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.521 17.833 -1.163 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.547 16.960 0.000 1.00 0.00 H new ATOM 20 N GLU A 2 0.837 12.687 -1.433 1.00 0.00 N ATOM 21 CA GLU A 2 1.856 11.673 -1.185 1.00 0.00 C ATOM 22 C GLU A 2 1.514 10.848 0.052 1.00 0.00 C ATOM 23 O GLU A 2 2.024 11.106 1.143 1.00 0.00 O ATOM 24 CB GLU A 2 3.228 12.332 -1.015 1.00 0.00 C ATOM 25 CG GLU A 2 4.192 12.026 -2.151 1.00 0.00 C ATOM 26 CD GLU A 2 5.643 12.199 -1.744 1.00 0.00 C ATOM 27 OE1 GLU A 2 6.003 11.769 -0.629 1.00 0.00 O ATOM 28 OE2 GLU A 2 6.419 12.766 -2.543 1.00 0.00 O ATOM 0 H GLU A 2 0.827 13.450 -0.756 1.00 0.00 H new ATOM 0 HA GLU A 2 1.887 11.004 -2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.097 13.412 -0.941 1.00 0.00 H new ATOM 0 HB3 GLU A 2 3.669 11.999 -0.075 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.033 11.003 -2.492 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.974 12.681 -2.995 1.00 0.00 H new ATOM 35 N GLN A 3 0.646 9.857 -0.126 1.00 0.00 N ATOM 36 CA GLN A 3 0.235 8.994 0.974 1.00 0.00 C ATOM 37 C GLN A 3 0.508 7.528 0.643 1.00 0.00 C ATOM 38 O GLN A 3 -0.294 6.648 0.957 1.00 0.00 O ATOM 39 CB GLN A 3 -1.251 9.202 1.282 1.00 0.00 C ATOM 40 CG GLN A 3 -1.504 9.889 2.614 1.00 0.00 C ATOM 41 CD GLN A 3 -1.203 11.375 2.571 1.00 0.00 C ATOM 42 OE1 GLN A 3 -1.557 12.064 1.615 1.00 0.00 O ATOM 43 NE2 GLN A 3 -0.545 11.876 3.610 1.00 0.00 N ATOM 0 H GLN A 3 0.214 9.632 -1.022 1.00 0.00 H new ATOM 0 HA GLN A 3 0.818 9.259 1.856 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.699 9.795 0.485 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.753 8.235 1.280 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -2.545 9.741 2.903 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -0.890 9.420 3.383 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.271 11.268 4.381 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -0.314 12.869 3.637 1.00 0.00 H new ATOM 52 N ARG A 4 1.649 7.275 0.008 1.00 0.00 N ATOM 53 CA ARG A 4 2.033 5.919 -0.369 1.00 0.00 C ATOM 54 C ARG A 4 2.609 5.167 0.820 1.00 0.00 C ATOM 55 O ARG A 4 3.733 5.421 1.250 1.00 0.00 O ATOM 56 CB ARG A 4 3.052 5.953 -1.509 1.00 0.00 C ATOM 57 CG ARG A 4 4.307 6.745 -1.179 1.00 0.00 C ATOM 58 CD ARG A 4 4.578 7.824 -2.215 1.00 0.00 C ATOM 59 NE ARG A 4 5.593 7.414 -3.183 1.00 0.00 N ATOM 60 CZ ARG A 4 6.868 7.196 -2.870 1.00 0.00 C ATOM 61 NH1 ARG A 4 7.289 7.342 -1.619 1.00 0.00 N ATOM 62 NH2 ARG A 4 7.727 6.827 -3.810 1.00 0.00 N ATOM 0 H ARG A 4 2.324 7.992 -0.256 1.00 0.00 H new ATOM 0 HA ARG A 4 1.138 5.396 -0.707 1.00 0.00 H new ATOM 0 HB2 ARG A 4 3.334 4.931 -1.764 1.00 0.00 H new ATOM 0 HB3 ARG A 4 2.582 6.384 -2.393 1.00 0.00 H new ATOM 0 HG2 ARG A 4 4.201 7.203 -0.196 1.00 0.00 H new ATOM 0 HG3 ARG A 4 5.161 6.069 -1.125 1.00 0.00 H new ATOM 0 HD2 ARG A 4 3.653 8.063 -2.740 1.00 0.00 H new ATOM 0 HD3 ARG A 4 4.904 8.735 -1.713 1.00 0.00 H new ATOM 0 HE ARG A 4 5.308 7.288 -4.154 1.00 0.00 H new ATOM 0 HH11 ARG A 4 6.633 7.623 -0.890 1.00 0.00 H new ATOM 0 HH12 ARG A 4 8.268 7.173 -1.387 1.00 0.00 H new ATOM 0 HH21 ARG A 4 7.411 6.710 -4.773 1.00 0.00 H new ATOM 0 HH22 ARG A 4 8.704 6.660 -3.571 1.00 0.00 H new ATOM 76 N ILE A 5 1.821 4.237 1.342 1.00 0.00 N ATOM 77 CA ILE A 5 2.233 3.432 2.480 1.00 0.00 C ATOM 78 C ILE A 5 2.682 2.053 2.019 1.00 0.00 C ATOM 79 O ILE A 5 2.767 1.786 0.822 1.00 0.00 O ATOM 80 CB ILE A 5 1.093 3.266 3.507 1.00 0.00 C ATOM 81 CG1 ILE A 5 0.103 4.422 3.402 1.00 0.00 C ATOM 82 CG2 ILE A 5 1.649 3.171 4.921 1.00 0.00 C ATOM 83 CD1 ILE A 5 -1.044 4.332 4.385 1.00 0.00 C ATOM 0 H ILE A 5 0.888 4.022 0.992 1.00 0.00 H new ATOM 0 HA ILE A 5 3.061 3.956 2.959 1.00 0.00 H new ATOM 0 HB ILE A 5 0.567 2.338 3.282 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.635 5.360 3.563 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.299 4.453 2.390 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.828 3.054 5.628 1.00 0.00 H new ATOM 0 HG22 ILE A 5 2.315 2.311 4.993 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.203 4.080 5.156 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.706 5.188 4.251 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.601 3.411 4.211 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.652 4.332 5.402 1.00 0.00 H new ATOM 95 N THR A 6 2.962 1.182 2.975 1.00 0.00 N ATOM 96 CA THR A 6 3.395 -0.175 2.671 1.00 0.00 C ATOM 97 C THR A 6 2.200 -1.117 2.579 1.00 0.00 C ATOM 98 O THR A 6 1.176 -0.901 3.225 1.00 0.00 O ATOM 99 CB THR A 6 4.380 -0.672 3.734 1.00 0.00 C ATOM 100 OG1 THR A 6 4.338 0.155 4.883 1.00 0.00 O ATOM 101 CG2 THR A 6 5.812 -0.713 3.250 1.00 0.00 C ATOM 0 H THR A 6 2.897 1.390 3.971 1.00 0.00 H new ATOM 0 HA THR A 6 3.898 -0.163 1.704 1.00 0.00 H new ATOM 0 HB THR A 6 4.063 -1.688 3.968 1.00 0.00 H new ATOM 0 HG1 THR A 6 5.160 0.035 5.403 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.457 -1.074 4.051 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.888 -1.383 2.394 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.125 0.289 2.955 1.00 0.00 H new ATOM 109 N LEU A 7 2.339 -2.166 1.774 1.00 0.00 N ATOM 110 CA LEU A 7 1.268 -3.141 1.605 1.00 0.00 C ATOM 111 C LEU A 7 1.080 -3.960 2.879 1.00 0.00 C ATOM 112 O LEU A 7 -0.037 -4.355 3.216 1.00 0.00 O ATOM 113 CB LEU A 7 1.573 -4.069 0.428 1.00 0.00 C ATOM 114 CG LEU A 7 0.510 -5.133 0.152 1.00 0.00 C ATOM 115 CD1 LEU A 7 -0.809 -4.481 -0.232 1.00 0.00 C ATOM 116 CD2 LEU A 7 0.978 -6.082 -0.941 1.00 0.00 C ATOM 0 H LEU A 7 3.180 -2.362 1.231 1.00 0.00 H new ATOM 0 HA LEU A 7 0.344 -2.600 1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.701 -3.463 -0.469 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.524 -4.567 0.615 1.00 0.00 H new ATOM 0 HG LEU A 7 0.354 -5.710 1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.554 -5.253 -0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.150 -3.843 0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.669 -3.879 -1.130 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.209 -6.833 -1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.162 -5.520 -1.857 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.898 -6.574 -0.626 1.00 0.00 H new ATOM 128 N LYS A 8 2.180 -4.211 3.581 1.00 0.00 N ATOM 129 CA LYS A 8 2.142 -4.982 4.817 1.00 0.00 C ATOM 130 C LYS A 8 1.433 -4.206 5.922 1.00 0.00 C ATOM 131 O LYS A 8 0.541 -4.731 6.588 1.00 0.00 O ATOM 132 CB LYS A 8 3.562 -5.340 5.260 1.00 0.00 C ATOM 133 CG LYS A 8 3.674 -6.722 5.885 1.00 0.00 C ATOM 134 CD LYS A 8 5.071 -7.299 5.715 1.00 0.00 C ATOM 135 CE LYS A 8 5.854 -7.259 7.017 1.00 0.00 C ATOM 136 NZ LYS A 8 6.192 -5.866 7.420 1.00 0.00 N ATOM 0 H LYS A 8 3.111 -3.891 3.314 1.00 0.00 H new ATOM 0 HA LYS A 8 1.584 -5.899 4.628 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.227 -5.285 4.398 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.908 -4.596 5.978 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.430 -6.664 6.946 1.00 0.00 H new ATOM 0 HG3 LYS A 8 2.945 -7.390 5.426 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.000 -8.328 5.364 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.607 -6.737 4.950 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.271 -7.734 7.806 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.771 -7.838 6.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.726 -5.883 8.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.770 -5.421 6.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.316 -5.320 7.550 1.00 0.00 H new ATOM 150 N ASP A 9 1.836 -2.954 6.111 1.00 0.00 N ATOM 151 CA ASP A 9 1.241 -2.101 7.136 1.00 0.00 C ATOM 152 C ASP A 9 -0.268 -1.988 6.947 1.00 0.00 C ATOM 153 O ASP A 9 -1.044 -2.363 7.825 1.00 0.00 O ATOM 154 CB ASP A 9 1.873 -0.709 7.099 1.00 0.00 C ATOM 155 CG ASP A 9 3.377 -0.754 7.279 1.00 0.00 C ATOM 156 OD1 ASP A 9 4.012 -1.694 6.757 1.00 0.00 O ATOM 157 OD2 ASP A 9 3.924 0.156 7.940 1.00 0.00 O ATOM 0 H ASP A 9 2.573 -2.506 5.567 1.00 0.00 H new ATOM 0 HA ASP A 9 1.434 -2.558 8.107 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.637 -0.231 6.148 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.434 -0.092 7.883 1.00 0.00 H new ATOM 162 N TYR A 10 -0.676 -1.466 5.795 1.00 0.00 N ATOM 163 CA TYR A 10 -2.091 -1.299 5.485 1.00 0.00 C ATOM 164 C TYR A 10 -2.849 -2.612 5.660 1.00 0.00 C ATOM 165 O TYR A 10 -3.976 -2.630 6.153 1.00 0.00 O ATOM 166 CB TYR A 10 -2.261 -0.786 4.054 1.00 0.00 C ATOM 167 CG TYR A 10 -3.662 -0.315 3.731 1.00 0.00 C ATOM 168 CD1 TYR A 10 -4.728 -1.206 3.703 1.00 0.00 C ATOM 169 CD2 TYR A 10 -3.916 1.021 3.445 1.00 0.00 C ATOM 170 CE1 TYR A 10 -6.007 -0.778 3.403 1.00 0.00 C ATOM 171 CE2 TYR A 10 -5.193 1.456 3.142 1.00 0.00 C ATOM 172 CZ TYR A 10 -6.235 0.554 3.124 1.00 0.00 C ATOM 173 OH TYR A 10 -7.507 0.982 2.822 1.00 0.00 O ATOM 0 H TYR A 10 -0.044 -1.151 5.059 1.00 0.00 H new ATOM 0 HA TYR A 10 -2.505 -0.568 6.180 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.565 0.037 3.889 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.987 -1.580 3.359 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.554 -2.250 3.919 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -3.103 1.731 3.460 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.825 -1.483 3.387 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.373 2.498 2.920 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.496 1.947 2.652 1.00 0.00 H new ATOM 183 N ALA A 11 -2.222 -3.708 5.248 1.00 0.00 N ATOM 184 CA ALA A 11 -2.835 -5.026 5.354 1.00 0.00 C ATOM 185 C ALA A 11 -3.018 -5.432 6.812 1.00 0.00 C ATOM 186 O ALA A 11 -4.110 -5.820 7.226 1.00 0.00 O ATOM 187 CB ALA A 11 -1.995 -6.058 4.620 1.00 0.00 C ATOM 0 H ALA A 11 -1.288 -3.709 4.837 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.821 -4.979 4.891 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.464 -7.038 4.707 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.920 -5.784 3.568 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -0.997 -6.093 5.058 1.00 0.00 H new ATOM 193 N MET A 12 -1.942 -5.346 7.587 1.00 0.00 N ATOM 194 CA MET A 12 -1.985 -5.708 8.998 1.00 0.00 C ATOM 195 C MET A 12 -2.847 -4.735 9.796 1.00 0.00 C ATOM 196 O MET A 12 -3.352 -5.072 10.866 1.00 0.00 O ATOM 197 CB MET A 12 -0.567 -5.749 9.575 1.00 0.00 C ATOM 198 CG MET A 12 -0.104 -7.146 9.953 1.00 0.00 C ATOM 199 SD MET A 12 1.672 -7.233 10.249 1.00 0.00 S ATOM 200 CE MET A 12 2.124 -8.607 9.194 1.00 0.00 C ATOM 0 H MET A 12 -1.029 -5.028 7.261 1.00 0.00 H new ATOM 0 HA MET A 12 -2.434 -6.698 9.077 1.00 0.00 H new ATOM 0 HB2 MET A 12 0.126 -5.331 8.845 1.00 0.00 H new ATOM 0 HB3 MET A 12 -0.524 -5.110 10.457 1.00 0.00 H new ATOM 0 HG2 MET A 12 -0.634 -7.470 10.849 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.370 -7.841 9.156 1.00 0.00 H new ATOM 0 HE1 MET A 12 3.197 -8.785 9.268 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.585 -9.501 9.510 1.00 0.00 H new ATOM 0 HE3 MET A 12 1.865 -8.373 8.161 1.00 0.00 H new ATOM 210 N ARG A 13 -3.003 -3.524 9.273 1.00 0.00 N ATOM 211 CA ARG A 13 -3.798 -2.500 9.941 1.00 0.00 C ATOM 212 C ARG A 13 -5.260 -2.556 9.506 1.00 0.00 C ATOM 213 O ARG A 13 -6.138 -2.911 10.292 1.00 0.00 O ATOM 214 CB ARG A 13 -3.222 -1.112 9.652 1.00 0.00 C ATOM 215 CG ARG A 13 -3.299 -0.165 10.837 1.00 0.00 C ATOM 216 CD ARG A 13 -2.830 1.232 10.464 1.00 0.00 C ATOM 217 NE ARG A 13 -3.612 2.271 11.131 1.00 0.00 N ATOM 218 CZ ARG A 13 -3.651 3.540 10.732 1.00 0.00 C ATOM 219 NH1 ARG A 13 -2.957 3.932 9.673 1.00 0.00 N ATOM 220 NH2 ARG A 13 -4.387 4.420 11.397 1.00 0.00 N ATOM 0 H ARG A 13 -2.590 -3.227 8.389 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.756 -2.693 11.013 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.181 -1.216 9.347 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.758 -0.673 8.811 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.325 -0.120 11.202 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.687 -0.550 11.652 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.779 1.344 10.729 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.902 1.362 9.384 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.160 2.008 11.950 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.388 3.259 9.158 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.991 4.906 9.373 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.922 4.124 12.213 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.418 5.393 11.092 1.00 0.00 H new ATOM 234 N PHE A 14 -5.515 -2.187 8.255 1.00 0.00 N ATOM 235 CA PHE A 14 -6.859 -2.174 7.713 1.00 0.00 C ATOM 236 C PHE A 14 -7.325 -3.569 7.292 1.00 0.00 C ATOM 237 O PHE A 14 -8.437 -3.730 6.791 1.00 0.00 O ATOM 238 CB PHE A 14 -6.893 -1.229 6.521 1.00 0.00 C ATOM 239 CG PHE A 14 -6.366 0.140 6.839 1.00 0.00 C ATOM 240 CD1 PHE A 14 -7.181 1.093 7.422 1.00 0.00 C ATOM 241 CD2 PHE A 14 -5.052 0.474 6.562 1.00 0.00 C ATOM 242 CE1 PHE A 14 -6.699 2.342 7.719 1.00 0.00 C ATOM 243 CE2 PHE A 14 -4.568 1.722 6.856 1.00 0.00 C ATOM 244 CZ PHE A 14 -5.393 2.653 7.435 1.00 0.00 C ATOM 0 H PHE A 14 -4.796 -1.891 7.595 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.542 -1.833 8.491 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -6.307 -1.658 5.708 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.919 -1.143 6.163 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -8.209 0.851 7.646 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -4.400 -0.258 6.109 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.345 3.078 8.175 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.541 1.972 6.633 1.00 0.00 H new ATOM 0 HZ PHE A 14 -5.012 3.636 7.669 1.00 0.00 H new ATOM 254 N GLY A 15 -6.477 -4.573 7.494 1.00 0.00 N ATOM 255 CA GLY A 15 -6.841 -5.929 7.123 1.00 0.00 C ATOM 256 C GLY A 15 -6.847 -6.135 5.620 1.00 0.00 C ATOM 257 O GLY A 15 -7.049 -5.189 4.859 1.00 0.00 O ATOM 0 H GLY A 15 -5.549 -4.473 7.906 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.141 -6.628 7.580 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.829 -6.160 7.523 1.00 0.00 H new ATOM 261 N GLN A 16 -6.625 -7.374 5.194 1.00 0.00 N ATOM 262 CA GLN A 16 -6.605 -7.701 3.773 1.00 0.00 C ATOM 263 C GLN A 16 -7.930 -7.335 3.109 1.00 0.00 C ATOM 264 O GLN A 16 -7.973 -7.016 1.919 1.00 0.00 O ATOM 265 CB GLN A 16 -6.315 -9.192 3.578 1.00 0.00 C ATOM 266 CG GLN A 16 -4.989 -9.468 2.888 1.00 0.00 C ATOM 267 CD GLN A 16 -5.113 -10.483 1.769 1.00 0.00 C ATOM 268 OE1 GLN A 16 -5.913 -10.313 0.848 1.00 0.00 O ATOM 269 NE2 GLN A 16 -4.320 -11.545 1.842 1.00 0.00 N ATOM 0 H GLN A 16 -6.457 -8.168 5.812 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.813 -7.118 3.302 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -6.319 -9.685 4.550 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -7.120 -9.637 2.992 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.592 -8.536 2.485 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -4.270 -9.829 3.623 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.672 -11.645 2.623 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.359 -12.261 1.117 1.00 0.00 H new ATOM 278 N THR A 17 -9.009 -7.384 3.883 1.00 0.00 N ATOM 279 CA THR A 17 -10.330 -7.060 3.369 1.00 0.00 C ATOM 280 C THR A 17 -10.390 -5.615 2.882 1.00 0.00 C ATOM 281 O THR A 17 -10.620 -5.358 1.700 1.00 0.00 O ATOM 282 CB THR A 17 -11.390 -7.290 4.450 1.00 0.00 C ATOM 283 OG1 THR A 17 -11.340 -8.624 4.923 1.00 0.00 O ATOM 284 CG2 THR A 17 -12.800 -7.024 3.972 1.00 0.00 C ATOM 0 H THR A 17 -8.992 -7.645 4.869 1.00 0.00 H new ATOM 0 HA THR A 17 -10.532 -7.716 2.523 1.00 0.00 H new ATOM 0 HB THR A 17 -11.154 -6.580 5.243 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.023 -8.752 5.614 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.501 -7.206 4.787 1.00 0.00 H new ATOM 0 HG22 THR A 17 -12.884 -5.987 3.646 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.033 -7.687 3.138 1.00 0.00 H new ATOM 292 N LYS A 18 -10.190 -4.676 3.801 1.00 0.00 N ATOM 293 CA LYS A 18 -10.230 -3.256 3.467 1.00 0.00 C ATOM 294 C LYS A 18 -9.183 -2.915 2.410 1.00 0.00 C ATOM 295 O LYS A 18 -9.400 -2.043 1.568 1.00 0.00 O ATOM 296 CB LYS A 18 -10.000 -2.409 4.720 1.00 0.00 C ATOM 297 CG LYS A 18 -10.610 -1.022 4.637 1.00 0.00 C ATOM 298 CD LYS A 18 -10.160 -0.143 5.792 1.00 0.00 C ATOM 299 CE LYS A 18 -11.300 0.732 6.300 1.00 0.00 C ATOM 300 NZ LYS A 18 -12.230 -0.021 7.190 1.00 0.00 N ATOM 0 H LYS A 18 -9.998 -4.872 4.783 1.00 0.00 H new ATOM 0 HA LYS A 18 -11.216 -3.032 3.061 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.418 -2.929 5.582 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.928 -2.315 4.893 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -10.328 -0.556 3.693 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -11.697 -1.101 4.641 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.789 -0.768 6.604 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.331 0.487 5.470 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.889 1.583 6.843 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.855 1.132 5.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.990 0.611 7.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.643 -0.819 6.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.707 -0.382 8.013 1.00 0.00 H new ATOM 314 N THR A 19 -8.049 -3.605 2.462 1.00 0.00 N ATOM 315 CA THR A 19 -6.969 -3.370 1.509 1.00 0.00 C ATOM 316 C THR A 19 -7.430 -3.653 0.082 1.00 0.00 C ATOM 317 O THR A 19 -7.112 -2.905 -0.841 1.00 0.00 O ATOM 318 CB THR A 19 -5.761 -4.244 1.849 1.00 0.00 C ATOM 319 OG1 THR A 19 -5.466 -4.176 3.233 1.00 0.00 O ATOM 320 CG2 THR A 19 -4.509 -3.856 1.093 1.00 0.00 C ATOM 0 H THR A 19 -7.853 -4.330 3.152 1.00 0.00 H new ATOM 0 HA THR A 19 -6.681 -2.321 1.577 1.00 0.00 H new ATOM 0 HB THR A 19 -6.045 -5.255 1.555 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.001 -4.841 3.715 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.691 -4.516 1.381 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.688 -3.947 0.022 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.245 -2.825 1.331 1.00 0.00 H new ATOM 328 N ALA A 20 -8.176 -4.738 -0.089 1.00 0.00 N ATOM 329 CA ALA A 20 -8.677 -5.120 -1.405 1.00 0.00 C ATOM 330 C ALA A 20 -10.010 -4.455 -1.709 1.00 0.00 C ATOM 331 O ALA A 20 -10.450 -4.428 -2.857 1.00 0.00 O ATOM 332 CB ALA A 20 -8.806 -6.633 -1.496 1.00 0.00 C ATOM 0 H ALA A 20 -8.447 -5.368 0.666 1.00 0.00 H new ATOM 0 HA ALA A 20 -7.959 -4.777 -2.150 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -9.181 -6.908 -2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.830 -7.092 -1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.500 -6.986 -0.733 1.00 0.00 H new ATOM 338 N LYS A 21 -10.660 -3.924 -0.675 1.00 0.00 N ATOM 339 CA LYS A 21 -11.950 -3.267 -0.841 1.00 0.00 C ATOM 340 C LYS A 21 -11.780 -1.816 -1.287 1.00 0.00 C ATOM 341 O LYS A 21 -12.530 -1.329 -2.137 1.00 0.00 O ATOM 342 CB LYS A 21 -12.750 -3.324 0.467 1.00 0.00 C ATOM 343 CG LYS A 21 -14.050 -4.109 0.354 1.00 0.00 C ATOM 344 CD LYS A 21 -13.970 -5.431 1.100 1.00 0.00 C ATOM 345 CE LYS A 21 -13.090 -6.430 0.369 1.00 0.00 C ATOM 346 NZ LYS A 21 -13.800 -7.080 -0.763 1.00 0.00 N ATOM 0 H LYS A 21 -10.313 -3.937 0.284 1.00 0.00 H new ATOM 0 HA LYS A 21 -12.498 -3.799 -1.618 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.130 -3.774 1.243 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.976 -2.308 0.789 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.871 -3.514 0.753 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -14.273 -4.296 -0.696 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.575 -5.261 2.102 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.972 -5.845 1.218 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.201 -5.923 -0.005 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.751 -7.193 1.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.161 -7.753 -1.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.634 -7.587 -0.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.102 -6.356 -1.445 1.00 0.00 H new ATOM 360 N ASP A 22 -10.810 -1.130 -0.705 1.00 0.00 N ATOM 361 CA ASP A 22 -10.550 0.263 -1.042 1.00 0.00 C ATOM 362 C ASP A 22 -9.821 0.379 -2.378 1.00 0.00 C ATOM 363 O ASP A 22 -10.020 1.333 -3.127 1.00 0.00 O ATOM 364 CB ASP A 22 -9.730 0.929 0.062 1.00 0.00 C ATOM 365 CG ASP A 22 -10.590 1.680 1.054 1.00 0.00 C ATOM 366 OD1 ASP A 22 -11.080 1.048 2.016 1.00 0.00 O ATOM 367 OD2 ASP A 22 -10.780 2.900 0.870 1.00 0.00 O ATOM 0 H ASP A 22 -10.187 -1.515 0.005 1.00 0.00 H new ATOM 0 HA ASP A 22 -11.509 0.773 -1.132 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.153 0.169 0.589 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.015 1.618 -0.387 1.00 0.00 H new ATOM 372 N LEU A 23 -8.967 -0.596 -2.670 1.00 0.00 N ATOM 373 CA LEU A 23 -8.208 -0.598 -3.914 1.00 0.00 C ATOM 374 C LEU A 23 -9.061 -1.100 -5.076 1.00 0.00 C ATOM 375 O LEU A 23 -8.872 -0.689 -6.221 1.00 0.00 O ATOM 376 CB LEU A 23 -6.950 -1.459 -3.771 1.00 0.00 C ATOM 377 CG LEU A 23 -5.648 -0.776 -4.197 1.00 0.00 C ATOM 378 CD1 LEU A 23 -4.555 -1.016 -3.167 1.00 0.00 C ATOM 379 CD2 LEU A 23 -5.209 -1.268 -5.571 1.00 0.00 C ATOM 0 H LEU A 23 -8.783 -1.394 -2.062 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.910 0.428 -4.128 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.856 -1.769 -2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.078 -2.365 -4.363 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.829 0.297 -4.259 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.638 -0.523 -3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.867 -0.611 -2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.376 -2.087 -3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.282 -0.771 -5.856 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.048 -2.345 -5.537 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.983 -1.040 -6.304 1.00 0.00 H new ATOM 391 N GLY A 24 -10.000 -1.989 -4.772 1.00 0.00 N ATOM 392 CA GLY A 24 -10.860 -2.529 -5.803 1.00 0.00 C ATOM 393 C GLY A 24 -10.270 -3.748 -6.481 1.00 0.00 C ATOM 394 O GLY A 24 -10.560 -4.017 -7.649 1.00 0.00 O ATOM 0 H GLY A 24 -10.179 -2.343 -3.832 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.823 -2.793 -5.365 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.050 -1.759 -6.551 1.00 0.00 H new ATOM 398 N VAL A 25 -9.451 -4.489 -5.748 1.00 0.00 N ATOM 399 CA VAL A 25 -8.817 -5.687 -6.287 1.00 0.00 C ATOM 400 C VAL A 25 -9.246 -6.927 -5.510 1.00 0.00 C ATOM 401 O VAL A 25 -10.040 -6.843 -4.580 1.00 0.00 O ATOM 402 CB VAL A 25 -7.281 -5.578 -6.247 1.00 0.00 C ATOM 403 CG1 VAL A 25 -6.792 -4.564 -7.269 1.00 0.00 C ATOM 404 CG2 VAL A 25 -6.806 -5.211 -4.848 1.00 0.00 C ATOM 0 H VAL A 25 -9.209 -4.283 -4.779 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.139 -5.777 -7.324 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.859 -6.550 -6.503 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.705 -4.500 -7.227 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.099 -4.877 -8.267 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.222 -3.587 -7.047 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.718 -5.139 -4.840 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.235 -4.252 -4.558 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.124 -5.979 -4.143 1.00 0.00 H new ATOM 414 N GLN A 26 -8.707 -8.079 -5.899 1.00 0.00 N ATOM 415 CA GLN A 26 -9.032 -9.333 -5.240 1.00 0.00 C ATOM 416 C GLN A 26 -8.056 -9.617 -4.108 1.00 0.00 C ATOM 417 O GLN A 26 -6.871 -9.291 -4.196 1.00 0.00 O ATOM 418 CB GLN A 26 -9.011 -10.486 -6.246 1.00 0.00 C ATOM 419 CG GLN A 26 -9.793 -10.198 -7.516 1.00 0.00 C ATOM 420 CD GLN A 26 -11.260 -10.561 -7.393 1.00 0.00 C ATOM 421 OE1 GLN A 26 -12.120 -9.689 -7.402 1.00 0.00 O ATOM 422 NE2 GLN A 26 -11.540 -11.854 -7.278 1.00 0.00 N ATOM 0 H GLN A 26 -8.043 -8.166 -6.668 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.035 -9.245 -4.822 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.977 -10.709 -6.509 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.420 -11.378 -5.772 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.704 -9.140 -7.761 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.353 -10.755 -8.343 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.786 -12.541 -7.276 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.509 -12.160 -7.192 1.00 0.00 H new ATOM 431 N GLN A 27 -8.560 -10.228 -3.046 1.00 0.00 N ATOM 432 CA GLN A 27 -7.739 -10.563 -1.889 1.00 0.00 C ATOM 433 C GLN A 27 -6.578 -11.472 -2.282 1.00 0.00 C ATOM 434 O GLN A 27 -5.579 -11.563 -1.567 1.00 0.00 O ATOM 435 CB GLN A 27 -8.589 -11.237 -0.811 1.00 0.00 C ATOM 436 CG GLN A 27 -9.319 -10.255 0.090 1.00 0.00 C ATOM 437 CD GLN A 27 -10.740 -10.681 0.386 1.00 0.00 C ATOM 438 OE1 GLN A 27 -11.660 -9.859 0.402 1.00 0.00 O ATOM 439 NE2 GLN A 27 -10.930 -11.974 0.623 1.00 0.00 N ATOM 0 H GLN A 27 -9.538 -10.504 -2.960 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.327 -9.636 -1.491 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.319 -11.889 -1.291 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -7.948 -11.872 -0.199 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -8.772 -10.152 1.027 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.329 -9.273 -0.383 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -10.140 -12.618 0.599 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -11.866 -12.323 0.829 1.00 0.00 H new ATOM 448 N SER A 28 -6.717 -12.145 -3.419 1.00 0.00 N ATOM 449 CA SER A 28 -5.680 -13.048 -3.903 1.00 0.00 C ATOM 450 C SER A 28 -4.399 -12.286 -4.227 1.00 0.00 C ATOM 451 O SER A 28 -3.311 -12.673 -3.803 1.00 0.00 O ATOM 452 CB SER A 28 -6.167 -13.798 -5.144 1.00 0.00 C ATOM 453 OG SER A 28 -5.385 -14.956 -5.380 1.00 0.00 O ATOM 0 H SER A 28 -7.537 -12.082 -4.022 1.00 0.00 H new ATOM 0 HA SER A 28 -5.463 -13.766 -3.113 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.212 -14.081 -5.015 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.120 -13.140 -6.012 1.00 0.00 H new ATOM 0 HG SER A 28 -5.718 -15.418 -6.177 1.00 0.00 H new ATOM 459 N ALA A 29 -4.536 -11.201 -4.985 1.00 0.00 N ATOM 460 CA ALA A 29 -3.389 -10.385 -5.369 1.00 0.00 C ATOM 461 C ALA A 29 -2.580 -9.957 -4.148 1.00 0.00 C ATOM 462 O ALA A 29 -1.351 -10.021 -4.154 1.00 0.00 O ATOM 463 CB ALA A 29 -3.848 -9.165 -6.156 1.00 0.00 C ATOM 0 H ALA A 29 -5.430 -10.867 -5.345 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.742 -10.991 -6.003 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.982 -8.565 -6.436 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.371 -9.488 -7.056 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.520 -8.567 -5.541 1.00 0.00 H new ATOM 469 N ILE A 30 -3.276 -9.528 -3.102 1.00 0.00 N ATOM 470 CA ILE A 30 -2.617 -9.100 -1.875 1.00 0.00 C ATOM 471 C ILE A 30 -1.876 -10.269 -1.233 1.00 0.00 C ATOM 472 O ILE A 30 -0.847 -10.084 -0.584 1.00 0.00 O ATOM 473 CB ILE A 30 -3.627 -8.502 -0.867 1.00 0.00 C ATOM 474 CG1 ILE A 30 -4.135 -7.146 -1.362 1.00 0.00 C ATOM 475 CG2 ILE A 30 -2.996 -8.355 0.513 1.00 0.00 C ATOM 476 CD1 ILE A 30 -4.969 -7.234 -2.622 1.00 0.00 C ATOM 0 H ILE A 30 -4.294 -9.467 -3.079 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.901 -8.322 -2.141 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.471 -9.187 -0.787 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.729 -6.681 -0.575 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.282 -6.493 -1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.726 -7.933 1.204 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.679 -9.333 0.874 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.132 -7.694 0.449 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.294 -6.235 -2.914 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.372 -7.670 -3.423 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.842 -7.860 -2.438 1.00 0.00 H new ATOM 488 N ASN A 31 -2.405 -11.472 -1.425 1.00 0.00 N ATOM 489 CA ASN A 31 -1.798 -12.672 -0.872 1.00 0.00 C ATOM 490 C ASN A 31 -0.498 -13.004 -1.598 1.00 0.00 C ATOM 491 O ASN A 31 0.503 -13.348 -0.972 1.00 0.00 O ATOM 492 CB ASN A 31 -2.766 -13.851 -0.970 1.00 0.00 C ATOM 493 CG ASN A 31 -2.566 -14.859 0.145 1.00 0.00 C ATOM 494 OD1 ASN A 31 -2.339 -16.043 -0.105 1.00 0.00 O ATOM 495 ND2 ASN A 31 -2.649 -14.393 1.386 1.00 0.00 N ATOM 0 H ASN A 31 -3.256 -11.640 -1.962 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.572 -12.485 0.178 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.790 -13.480 -0.941 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.634 -14.347 -1.932 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.523 -15.024 2.177 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.839 -13.404 1.548 1.00 0.00 H new ATOM 502 N LYS A 32 -0.523 -12.898 -2.924 1.00 0.00 N ATOM 503 CA LYS A 32 0.652 -13.187 -3.736 1.00 0.00 C ATOM 504 C LYS A 32 1.692 -12.081 -3.612 1.00 0.00 C ATOM 505 O LYS A 32 2.883 -12.310 -3.823 1.00 0.00 O ATOM 506 CB LYS A 32 0.256 -13.366 -5.203 1.00 0.00 C ATOM 507 CG LYS A 32 -0.936 -14.287 -5.405 1.00 0.00 C ATOM 508 CD LYS A 32 -0.650 -15.691 -4.894 1.00 0.00 C ATOM 509 CE LYS A 32 -0.391 -16.659 -6.036 1.00 0.00 C ATOM 510 NZ LYS A 32 -0.705 -18.064 -5.654 1.00 0.00 N ATOM 0 H LYS A 32 -1.345 -12.614 -3.457 1.00 0.00 H new ATOM 0 HA LYS A 32 1.091 -14.114 -3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.026 -12.390 -5.630 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.108 -13.763 -5.755 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.804 -13.880 -4.886 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.189 -14.329 -6.464 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.215 -15.669 -4.232 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.495 -16.043 -4.302 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.994 -16.374 -6.898 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.653 -16.590 -6.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.515 -18.694 -6.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.112 -18.345 -4.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.708 -18.135 -5.388 1.00 0.00 H new ATOM 524 N TRP A 33 1.233 -10.884 -3.277 1.00 0.00 N ATOM 525 CA TRP A 33 2.109 -9.741 -3.130 1.00 0.00 C ATOM 526 C TRP A 33 3.031 -9.902 -1.925 1.00 0.00 C ATOM 527 O TRP A 33 4.244 -9.720 -2.030 1.00 0.00 O ATOM 528 CB TRP A 33 1.250 -8.496 -2.980 1.00 0.00 C ATOM 529 CG TRP A 33 0.593 -8.079 -4.247 1.00 0.00 C ATOM 530 CD1 TRP A 33 0.881 -8.539 -5.482 1.00 0.00 C ATOM 531 CD2 TRP A 33 -0.471 -7.142 -4.397 1.00 0.00 C ATOM 532 NE1 TRP A 33 0.076 -7.932 -6.416 1.00 0.00 N ATOM 533 CE2 TRP A 33 -0.768 -7.067 -5.770 1.00 0.00 C ATOM 534 CE3 TRP A 33 -1.194 -6.358 -3.506 1.00 0.00 C ATOM 535 CZ2 TRP A 33 -1.761 -6.234 -6.270 1.00 0.00 C ATOM 536 CZ3 TRP A 33 -2.184 -5.528 -3.999 1.00 0.00 C ATOM 537 CH2 TRP A 33 -2.459 -5.470 -5.373 1.00 0.00 C ATOM 0 H TRP A 33 0.249 -10.683 -3.101 1.00 0.00 H new ATOM 0 HA TRP A 33 2.744 -9.656 -4.012 1.00 0.00 H new ATOM 0 HB2 TRP A 33 0.485 -8.679 -2.225 1.00 0.00 H new ATOM 0 HB3 TRP A 33 1.870 -7.677 -2.613 1.00 0.00 H new ATOM 0 HD1 TRP A 33 1.636 -9.278 -5.705 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.102 -8.098 -7.422 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -0.986 -6.396 -2.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -1.975 -6.190 -7.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -2.754 -4.915 -3.316 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -3.236 -4.810 -5.730 1.00 0.00 H new ATOM 548 N ILE A 34 2.447 -10.242 -0.780 1.00 0.00 N ATOM 549 CA ILE A 34 3.214 -10.425 0.445 1.00 0.00 C ATOM 550 C ILE A 34 3.687 -11.871 0.602 1.00 0.00 C ATOM 551 O ILE A 34 4.226 -12.244 1.645 1.00 0.00 O ATOM 552 CB ILE A 34 2.391 -10.033 1.687 1.00 0.00 C ATOM 553 CG1 ILE A 34 1.730 -8.670 1.477 1.00 0.00 C ATOM 554 CG2 ILE A 34 3.275 -10.014 2.925 1.00 0.00 C ATOM 555 CD1 ILE A 34 0.744 -8.301 2.565 1.00 0.00 C ATOM 0 H ILE A 34 1.444 -10.396 -0.676 1.00 0.00 H new ATOM 0 HA ILE A 34 4.083 -9.771 0.366 1.00 0.00 H new ATOM 0 HB ILE A 34 1.608 -10.777 1.836 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.504 -7.904 1.425 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.215 -8.669 0.516 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.679 -9.735 3.794 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.703 -11.004 3.081 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.077 -9.289 2.788 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.315 -7.322 2.350 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.051 -9.046 2.603 1.00 0.00 H new ATOM 0 HD13 ILE A 34 1.258 -8.269 3.526 1.00 0.00 H new ATOM 567 N HIS A 35 3.484 -12.684 -0.433 1.00 0.00 N ATOM 568 CA HIS A 35 3.895 -14.083 -0.393 1.00 0.00 C ATOM 569 C HIS A 35 5.319 -14.249 -0.910 1.00 0.00 C ATOM 570 O HIS A 35 6.027 -15.180 -0.526 1.00 0.00 O ATOM 571 CB HIS A 35 2.934 -14.943 -1.220 1.00 0.00 C ATOM 572 CG HIS A 35 2.009 -15.773 -0.384 1.00 0.00 C ATOM 573 ND1 HIS A 35 1.710 -15.477 0.929 1.00 0.00 N ATOM 574 CD2 HIS A 35 1.313 -16.896 -0.681 1.00 0.00 C ATOM 575 CE1 HIS A 35 0.872 -16.383 1.404 1.00 0.00 C ATOM 576 NE2 HIS A 35 0.615 -17.253 0.447 1.00 0.00 N ATOM 0 H HIS A 35 3.039 -12.398 -1.305 1.00 0.00 H new ATOM 0 HA HIS A 35 3.866 -14.414 0.645 1.00 0.00 H new ATOM 0 HB2 HIS A 35 2.344 -14.295 -1.867 1.00 0.00 H new ATOM 0 HB3 HIS A 35 3.513 -15.600 -1.869 1.00 0.00 H new ATOM 0 HD2 HIS A 35 1.308 -17.414 -1.628 1.00 0.00 H new ATOM 0 HE1 HIS A 35 0.467 -16.406 2.405 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -0.002 -18.061 0.531 1.00 0.00 H new ATOM 585 N ALA A 36 5.731 -13.337 -1.780 1.00 0.00 N ATOM 586 CA ALA A 36 7.073 -13.375 -2.353 1.00 0.00 C ATOM 587 C ALA A 36 7.884 -12.139 -1.964 1.00 0.00 C ATOM 588 O ALA A 36 8.986 -11.929 -2.470 1.00 0.00 O ATOM 589 CB ALA A 36 6.993 -13.496 -3.866 1.00 0.00 C ATOM 0 H ALA A 36 5.156 -12.560 -2.106 1.00 0.00 H new ATOM 0 HA ALA A 36 7.584 -14.249 -1.950 1.00 0.00 H new ATOM 0 HB1 ALA A 36 8.000 -13.523 -4.283 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.466 -14.413 -4.130 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.456 -12.639 -4.272 1.00 0.00 H new ATOM 595 N GLY A 37 7.335 -11.325 -1.069 1.00 0.00 N ATOM 596 CA GLY A 37 8.028 -10.124 -0.637 1.00 0.00 C ATOM 597 C GLY A 37 8.091 -9.073 -1.726 1.00 0.00 C ATOM 598 O GLY A 37 9.142 -8.477 -1.963 1.00 0.00 O ATOM 0 H GLY A 37 6.424 -11.474 -0.635 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.523 -9.710 0.236 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.040 -10.383 -0.326 1.00 0.00 H new ATOM 602 N ARG A 38 6.963 -8.845 -2.389 1.00 0.00 N ATOM 603 CA ARG A 38 6.892 -7.858 -3.461 1.00 0.00 C ATOM 604 C ARG A 38 6.768 -6.447 -2.897 1.00 0.00 C ATOM 605 O ARG A 38 5.721 -6.067 -2.372 1.00 0.00 O ATOM 606 CB ARG A 38 5.704 -8.159 -4.377 1.00 0.00 C ATOM 607 CG ARG A 38 5.988 -7.896 -5.848 1.00 0.00 C ATOM 608 CD ARG A 38 4.701 -7.739 -6.642 1.00 0.00 C ATOM 609 NE ARG A 38 4.817 -8.299 -7.988 1.00 0.00 N ATOM 610 CZ ARG A 38 4.723 -9.599 -8.260 1.00 0.00 C ATOM 611 NH1 ARG A 38 4.514 -10.474 -7.285 1.00 0.00 N ATOM 612 NH2 ARG A 38 4.840 -10.024 -9.511 1.00 0.00 N ATOM 0 H ARG A 38 6.085 -9.330 -2.203 1.00 0.00 H new ATOM 0 HA ARG A 38 7.815 -7.918 -4.038 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.415 -9.203 -4.252 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.853 -7.553 -4.066 1.00 0.00 H new ATOM 0 HG2 ARG A 38 6.591 -6.994 -5.948 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.573 -8.718 -6.260 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.886 -8.233 -6.113 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.443 -6.682 -6.710 1.00 0.00 H new ATOM 0 HE ARG A 38 4.979 -7.656 -8.763 1.00 0.00 H new ATOM 0 HH11 ARG A 38 4.424 -10.152 -6.321 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.443 -11.469 -7.499 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.002 -9.355 -10.264 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.768 -11.020 -9.720 1.00 0.00 H new ATOM 626 N LYS A 39 7.843 -5.673 -3.009 1.00 0.00 N ATOM 627 CA LYS A 39 7.853 -4.302 -2.513 1.00 0.00 C ATOM 628 C LYS A 39 6.799 -3.462 -3.227 1.00 0.00 C ATOM 629 O LYS A 39 6.976 -3.079 -4.384 1.00 0.00 O ATOM 630 CB LYS A 39 9.237 -3.678 -2.704 1.00 0.00 C ATOM 631 CG LYS A 39 9.671 -2.795 -1.543 1.00 0.00 C ATOM 632 CD LYS A 39 10.809 -3.425 -0.755 1.00 0.00 C ATOM 633 CE LYS A 39 10.300 -4.127 0.493 1.00 0.00 C ATOM 634 NZ LYS A 39 11.375 -4.896 1.177 1.00 0.00 N ATOM 0 H LYS A 39 8.718 -5.972 -3.439 1.00 0.00 H new ATOM 0 HA LYS A 39 7.617 -4.323 -1.449 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.970 -4.474 -2.839 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.237 -3.086 -3.620 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.985 -1.823 -1.922 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.823 -2.620 -0.881 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.338 -4.140 -1.386 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.528 -2.655 -0.473 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.888 -3.389 1.181 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.487 -4.801 0.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.986 -5.359 2.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.752 -5.617 0.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.140 -4.249 1.457 1.00 0.00 H new ATOM 648 N ILE A 40 5.702 -3.180 -2.533 1.00 0.00 N ATOM 649 CA ILE A 40 4.620 -2.388 -3.107 1.00 0.00 C ATOM 650 C ILE A 40 4.156 -1.302 -2.143 1.00 0.00 C ATOM 651 O ILE A 40 4.352 -1.401 -0.932 1.00 0.00 O ATOM 652 CB ILE A 40 3.413 -3.275 -3.478 1.00 0.00 C ATOM 653 CG1 ILE A 40 3.838 -4.373 -4.453 1.00 0.00 C ATOM 654 CG2 ILE A 40 2.293 -2.431 -4.076 1.00 0.00 C ATOM 655 CD1 ILE A 40 2.694 -5.258 -4.901 1.00 0.00 C ATOM 0 H ILE A 40 5.538 -3.487 -1.574 1.00 0.00 H new ATOM 0 HA ILE A 40 5.016 -1.922 -4.009 1.00 0.00 H new ATOM 0 HB ILE A 40 3.038 -3.747 -2.570 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.296 -3.913 -5.329 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.602 -4.991 -3.981 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.450 -3.073 -4.332 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.973 -1.684 -3.350 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.654 -1.931 -4.975 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.068 -6.014 -5.591 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.250 -5.746 -4.033 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.939 -4.651 -5.402 1.00 0.00 H new ATOM 667 N PHE A 41 3.525 -0.270 -2.696 1.00 0.00 N ATOM 668 CA PHE A 41 3.014 0.835 -1.897 1.00 0.00 C ATOM 669 C PHE A 41 1.610 1.211 -2.356 1.00 0.00 C ATOM 670 O PHE A 41 1.205 0.882 -3.472 1.00 0.00 O ATOM 671 CB PHE A 41 3.937 2.052 -2.000 1.00 0.00 C ATOM 672 CG PHE A 41 5.288 1.836 -1.379 1.00 0.00 C ATOM 673 CD1 PHE A 41 6.301 1.213 -2.091 1.00 0.00 C ATOM 674 CD2 PHE A 41 5.545 2.255 -0.083 1.00 0.00 C ATOM 675 CE1 PHE A 41 7.544 1.012 -1.524 1.00 0.00 C ATOM 676 CE2 PHE A 41 6.788 2.055 0.490 1.00 0.00 C ATOM 677 CZ PHE A 41 7.789 1.434 -0.232 1.00 0.00 C ATOM 0 H PHE A 41 3.356 -0.178 -3.698 1.00 0.00 H new ATOM 0 HA PHE A 41 2.977 0.514 -0.856 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.067 2.311 -3.051 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.457 2.904 -1.518 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.116 0.881 -3.102 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.767 2.743 0.485 1.00 0.00 H new ATOM 0 HE1 PHE A 41 8.324 0.525 -2.091 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.976 2.384 1.501 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.761 1.279 0.213 1.00 0.00 H new ATOM 687 N LEU A 42 0.867 1.893 -1.493 1.00 0.00 N ATOM 688 CA LEU A 42 -0.492 2.301 -1.824 1.00 0.00 C ATOM 689 C LEU A 42 -0.784 3.715 -1.330 1.00 0.00 C ATOM 690 O LEU A 42 -0.538 4.043 -0.170 1.00 0.00 O ATOM 691 CB LEU A 42 -1.499 1.317 -1.225 1.00 0.00 C ATOM 692 CG LEU A 42 -1.651 1.378 0.295 1.00 0.00 C ATOM 693 CD1 LEU A 42 -2.748 0.431 0.754 1.00 0.00 C ATOM 694 CD2 LEU A 42 -0.333 1.043 0.976 1.00 0.00 C ATOM 0 H LEU A 42 1.180 2.174 -0.564 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.588 2.297 -2.910 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.473 1.500 -1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.203 0.306 -1.503 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.932 2.393 0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.845 0.485 1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.692 0.716 0.291 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.494 -0.588 0.463 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.460 1.091 2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.022 0.038 0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.428 1.759 0.668 1.00 0.00 H new ATOM 706 N THR A 43 -1.317 4.546 -2.221 1.00 0.00 N ATOM 707 CA THR A 43 -1.649 5.924 -1.883 1.00 0.00 C ATOM 708 C THR A 43 -3.132 6.058 -1.551 1.00 0.00 C ATOM 709 O THR A 43 -3.982 5.994 -2.438 1.00 0.00 O ATOM 710 CB THR A 43 -1.288 6.858 -3.039 1.00 0.00 C ATOM 711 OG1 THR A 43 0.048 6.643 -3.458 1.00 0.00 O ATOM 712 CG2 THR A 43 -1.430 8.325 -2.691 1.00 0.00 C ATOM 0 H THR A 43 -1.528 4.287 -3.185 1.00 0.00 H new ATOM 0 HA THR A 43 -1.069 6.206 -1.004 1.00 0.00 H new ATOM 0 HB THR A 43 -1.995 6.620 -3.834 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.260 7.248 -4.199 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.158 8.932 -3.555 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.462 8.534 -2.411 1.00 0.00 H new ATOM 0 HG23 THR A 43 -0.771 8.566 -1.857 1.00 0.00 H new ATOM 720 N ILE A 44 -3.435 6.246 -0.270 1.00 0.00 N ATOM 721 CA ILE A 44 -4.817 6.389 0.174 1.00 0.00 C ATOM 722 C ILE A 44 -5.331 7.801 -0.082 1.00 0.00 C ATOM 723 O ILE A 44 -4.610 8.778 0.113 1.00 0.00 O ATOM 724 CB ILE A 44 -4.961 6.073 1.676 1.00 0.00 C ATOM 725 CG1 ILE A 44 -4.234 4.772 2.021 1.00 0.00 C ATOM 726 CG2 ILE A 44 -6.430 5.982 2.058 1.00 0.00 C ATOM 727 CD1 ILE A 44 -4.085 4.541 3.509 1.00 0.00 C ATOM 0 H ILE A 44 -2.743 6.303 0.477 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.408 5.676 -0.400 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.505 6.882 2.247 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.777 3.934 1.584 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.245 4.785 1.562 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.516 5.758 3.121 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.921 6.932 1.846 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -6.908 5.190 1.481 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.561 3.601 3.681 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.515 5.360 3.949 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.071 4.496 3.971 1.00 0.00 H new ATOM 739 N ASN A 45 -6.583 7.902 -0.519 1.00 0.00 N ATOM 740 CA ASN A 45 -7.188 9.199 -0.800 1.00 0.00 C ATOM 741 C ASN A 45 -8.094 9.639 0.348 1.00 0.00 C ATOM 742 O ASN A 45 -8.516 8.821 1.166 1.00 0.00 O ATOM 743 CB ASN A 45 -7.993 9.142 -2.100 1.00 0.00 C ATOM 744 CG ASN A 45 -7.156 9.499 -3.312 1.00 0.00 C ATOM 745 OD1 ASN A 45 -6.197 10.267 -3.216 1.00 0.00 O ATOM 746 ND2 ASN A 45 -7.516 8.944 -4.463 1.00 0.00 N ATOM 0 H ASN A 45 -7.196 7.104 -0.686 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.384 9.927 -0.908 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.403 8.140 -2.227 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.839 9.826 -2.031 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.991 9.148 -5.314 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -8.317 8.314 -4.497 1.00 0.00 H new ATOM 753 N ALA A 46 -8.388 10.934 0.400 1.00 0.00 N ATOM 754 CA ALA A 46 -9.245 11.483 1.445 1.00 0.00 C ATOM 755 C ALA A 46 -10.700 11.074 1.242 1.00 0.00 C ATOM 756 O ALA A 46 -11.540 11.286 2.119 1.00 0.00 O ATOM 757 CB ALA A 46 -9.122 12.999 1.481 1.00 0.00 C ATOM 0 H ALA A 46 -8.045 11.623 -0.269 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.914 11.076 2.401 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.766 13.398 2.265 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.088 13.275 1.686 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.424 13.412 0.518 1.00 0.00 H new ATOM 763 N ASP A 47 -11.000 10.486 0.087 1.00 0.00 N ATOM 764 CA ASP A 47 -12.350 10.050 -0.220 1.00 0.00 C ATOM 765 C ASP A 47 -12.510 8.550 0.002 1.00 0.00 C ATOM 766 O ASP A 47 -13.610 8.053 0.229 1.00 0.00 O ATOM 767 CB ASP A 47 -12.730 10.400 -1.668 1.00 0.00 C ATOM 768 CG ASP A 47 -11.520 10.626 -2.563 1.00 0.00 C ATOM 769 OD1 ASP A 47 -10.730 11.546 -2.269 1.00 0.00 O ATOM 770 OD2 ASP A 47 -11.370 9.885 -3.557 1.00 0.00 O ATOM 0 H ASP A 47 -10.320 10.302 -0.651 1.00 0.00 H new ATOM 0 HA ASP A 47 -13.020 10.578 0.458 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.337 9.595 -2.083 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.348 11.298 -1.669 1.00 0.00 H new ATOM 775 N GLY A 48 -11.390 7.836 -0.068 1.00 0.00 N ATOM 776 CA GLY A 48 -11.410 6.398 0.123 1.00 0.00 C ATOM 777 C GLY A 48 -10.950 5.643 -1.108 1.00 0.00 C ATOM 778 O GLY A 48 -11.120 4.427 -1.198 1.00 0.00 O ATOM 0 H GLY A 48 -10.468 8.230 -0.254 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.769 6.138 0.966 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.421 6.083 0.382 1.00 0.00 H new ATOM 782 N SER A 49 -10.360 6.364 -2.061 1.00 0.00 N ATOM 783 CA SER A 49 -9.877 5.754 -3.289 1.00 0.00 C ATOM 784 C SER A 49 -8.360 5.602 -3.244 1.00 0.00 C ATOM 785 O SER A 49 -7.623 6.528 -3.578 1.00 0.00 O ATOM 786 CB SER A 49 -10.280 6.597 -4.497 1.00 0.00 C ATOM 787 OG SER A 49 -9.903 7.950 -4.328 1.00 0.00 O ATOM 0 H SER A 49 -10.207 7.371 -2.002 1.00 0.00 H new ATOM 0 HA SER A 49 -10.328 4.766 -3.383 1.00 0.00 H new ATOM 0 HB2 SER A 49 -9.811 6.196 -5.396 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.358 6.533 -4.644 1.00 0.00 H new ATOM 0 HG SER A 49 -10.705 8.501 -4.211 1.00 0.00 H new ATOM 793 N VAL A 50 -7.902 4.430 -2.822 1.00 0.00 N ATOM 794 CA VAL A 50 -6.474 4.161 -2.728 1.00 0.00 C ATOM 795 C VAL A 50 -6.019 3.217 -3.835 1.00 0.00 C ATOM 796 O VAL A 50 -6.733 2.287 -4.203 1.00 0.00 O ATOM 797 CB VAL A 50 -6.108 3.563 -1.356 1.00 0.00 C ATOM 798 CG1 VAL A 50 -6.775 2.218 -1.155 1.00 0.00 C ATOM 799 CG2 VAL A 50 -4.598 3.447 -1.200 1.00 0.00 C ATOM 0 H VAL A 50 -8.498 3.652 -2.540 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.959 5.115 -2.844 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.477 4.240 -0.586 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.500 1.818 -0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.857 2.337 -1.207 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.448 1.530 -1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.365 3.022 -0.224 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.200 2.800 -1.982 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.147 4.436 -1.283 1.00 0.00 H new ATOM 809 N TYR A 51 -4.825 3.467 -4.363 1.00 0.00 N ATOM 810 CA TYR A 51 -4.273 2.642 -5.432 1.00 0.00 C ATOM 811 C TYR A 51 -2.878 2.142 -5.068 1.00 0.00 C ATOM 812 O TYR A 51 -2.109 2.845 -4.412 1.00 0.00 O ATOM 813 CB TYR A 51 -4.217 3.436 -6.739 1.00 0.00 C ATOM 814 CG TYR A 51 -3.419 4.716 -6.635 1.00 0.00 C ATOM 815 CD1 TYR A 51 -4.013 5.892 -6.193 1.00 0.00 C ATOM 816 CD2 TYR A 51 -2.074 4.748 -6.980 1.00 0.00 C ATOM 817 CE1 TYR A 51 -3.287 7.065 -6.098 1.00 0.00 C ATOM 818 CE2 TYR A 51 -1.343 5.917 -6.887 1.00 0.00 C ATOM 819 CZ TYR A 51 -1.953 7.072 -6.446 1.00 0.00 C ATOM 820 OH TYR A 51 -1.228 8.237 -6.351 1.00 0.00 O ATOM 0 H TYR A 51 -4.221 4.234 -4.068 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.926 1.779 -5.566 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.782 2.809 -7.517 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.233 3.675 -7.053 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.058 5.890 -5.919 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.592 3.846 -7.326 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.763 7.971 -5.753 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.298 5.926 -7.159 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.304 8.071 -6.633 1.00 0.00 H new ATOM 830 N ALA A 52 -2.559 0.925 -5.497 1.00 0.00 N ATOM 831 CA ALA A 52 -1.257 0.334 -5.216 1.00 0.00 C ATOM 832 C ALA A 52 -0.271 0.614 -6.345 1.00 0.00 C ATOM 833 O ALA A 52 -0.493 0.216 -7.488 1.00 0.00 O ATOM 834 CB ALA A 52 -1.396 -1.165 -4.993 1.00 0.00 C ATOM 0 H ALA A 52 -3.184 0.330 -6.040 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.866 0.791 -4.307 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.416 -1.594 -4.784 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.060 -1.347 -4.148 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.812 -1.629 -5.887 1.00 0.00 H new ATOM 840 N GLU A 53 0.817 1.303 -6.016 1.00 0.00 N ATOM 841 CA GLU A 53 1.837 1.637 -7.004 1.00 0.00 C ATOM 842 C GLU A 53 3.058 0.733 -6.856 1.00 0.00 C ATOM 843 O GLU A 53 3.426 0.347 -5.746 1.00 0.00 O ATOM 844 CB GLU A 53 2.252 3.103 -6.862 1.00 0.00 C ATOM 845 CG GLU A 53 1.480 4.044 -7.773 1.00 0.00 C ATOM 846 CD GLU A 53 2.070 5.440 -7.802 1.00 0.00 C ATOM 847 OE1 GLU A 53 2.677 5.849 -6.790 1.00 0.00 O ATOM 848 OE2 GLU A 53 1.925 6.125 -8.836 1.00 0.00 O ATOM 0 H GLU A 53 1.015 1.641 -5.074 1.00 0.00 H new ATOM 0 HA GLU A 53 1.412 1.481 -7.995 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.109 3.414 -5.827 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.317 3.193 -7.078 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.469 3.637 -8.784 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.444 4.098 -7.439 1.00 0.00 H new ATOM 855 N GLU A 54 3.681 0.400 -7.981 1.00 0.00 N ATOM 856 CA GLU A 54 4.860 -0.455 -7.978 1.00 0.00 C ATOM 857 C GLU A 54 6.130 0.370 -8.156 1.00 0.00 C ATOM 858 O GLU A 54 6.172 1.296 -8.966 1.00 0.00 O ATOM 859 CB GLU A 54 4.760 -1.503 -9.090 1.00 0.00 C ATOM 860 CG GLU A 54 5.714 -2.672 -8.911 1.00 0.00 C ATOM 861 CD GLU A 54 5.933 -3.447 -10.197 1.00 0.00 C ATOM 862 OE1 GLU A 54 6.843 -3.074 -10.967 1.00 0.00 O ATOM 863 OE2 GLU A 54 5.195 -4.428 -10.430 1.00 0.00 O ATOM 0 H GLU A 54 3.388 0.710 -8.907 1.00 0.00 H new ATOM 0 HA GLU A 54 4.908 -0.961 -7.014 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.739 -1.881 -9.131 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.961 -1.024 -10.048 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.672 -2.302 -8.546 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.321 -3.344 -8.148 1.00 0.00 H new ATOM 870 N VAL A 55 7.162 0.032 -7.390 1.00 0.00 N ATOM 871 CA VAL A 55 8.433 0.744 -7.461 1.00 0.00 C ATOM 872 C VAL A 55 9.401 0.052 -8.415 1.00 0.00 C ATOM 873 O VAL A 55 9.352 -1.165 -8.590 1.00 0.00 O ATOM 874 CB VAL A 55 9.092 0.861 -6.074 1.00 0.00 C ATOM 875 CG1 VAL A 55 10.308 1.772 -6.134 1.00 0.00 C ATOM 876 CG2 VAL A 55 8.087 1.365 -5.047 1.00 0.00 C ATOM 0 H VAL A 55 7.143 -0.731 -6.713 1.00 0.00 H new ATOM 0 HA VAL A 55 8.212 1.744 -7.835 1.00 0.00 H new ATOM 0 HB VAL A 55 9.426 -0.130 -5.766 1.00 0.00 H new ATOM 0 HG11 VAL A 55 10.760 1.842 -5.144 1.00 0.00 H new ATOM 0 HG12 VAL A 55 11.034 1.363 -6.836 1.00 0.00 H new ATOM 0 HG13 VAL A 55 10.003 2.765 -6.464 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.570 1.442 -4.073 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.720 2.346 -5.348 1.00 0.00 H new ATOM 0 HG23 VAL A 55 7.251 0.668 -4.984 1.00 0.00 H new ATOM 886 N LYS A 56 10.281 0.837 -9.027 1.00 0.00 N ATOM 887 CA LYS A 56 11.264 0.302 -9.962 1.00 0.00 C ATOM 888 C LYS A 56 12.610 0.093 -9.274 1.00 0.00 C ATOM 889 O LYS A 56 12.909 0.738 -8.269 1.00 0.00 O ATOM 890 CB LYS A 56 11.428 1.246 -11.155 1.00 0.00 C ATOM 891 CG LYS A 56 11.887 2.644 -10.768 1.00 0.00 C ATOM 892 CD LYS A 56 12.889 3.200 -11.768 1.00 0.00 C ATOM 893 CE LYS A 56 12.416 4.520 -12.359 1.00 0.00 C ATOM 894 NZ LYS A 56 13.548 5.453 -12.612 1.00 0.00 N ATOM 0 H LYS A 56 10.334 1.847 -8.892 1.00 0.00 H new ATOM 0 HA LYS A 56 10.905 -0.664 -10.318 1.00 0.00 H new ATOM 0 HB2 LYS A 56 12.148 0.816 -11.851 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.478 1.318 -11.684 1.00 0.00 H new ATOM 0 HG2 LYS A 56 11.024 3.308 -10.709 1.00 0.00 H new ATOM 0 HG3 LYS A 56 12.338 2.618 -9.776 1.00 0.00 H new ATOM 0 HD2 LYS A 56 13.852 3.344 -11.278 1.00 0.00 H new ATOM 0 HD3 LYS A 56 13.044 2.477 -12.569 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.886 4.331 -13.293 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.705 4.988 -11.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.183 6.340 -13.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.038 5.654 -11.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.214 5.017 -13.281 1.00 0.00 H new ATOM 908 N PRO A 57 13.446 -0.816 -9.806 1.00 0.00 N ATOM 909 CA PRO A 57 14.766 -1.105 -9.240 1.00 0.00 C ATOM 910 C PRO A 57 15.598 0.158 -9.044 1.00 0.00 C ATOM 911 O PRO A 57 15.632 1.031 -9.911 1.00 0.00 O ATOM 912 CB PRO A 57 15.423 -2.029 -10.280 1.00 0.00 C ATOM 913 CG PRO A 57 14.559 -1.945 -11.496 1.00 0.00 C ATOM 914 CD PRO A 57 13.179 -1.629 -11.001 1.00 0.00 C ATOM 0 HA PRO A 57 14.690 -1.555 -8.250 1.00 0.00 H new ATOM 0 HB2 PRO A 57 16.442 -1.709 -10.500 1.00 0.00 H new ATOM 0 HB3 PRO A 57 15.483 -3.053 -9.912 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.916 -1.172 -12.176 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.570 -2.885 -12.048 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.598 -1.081 -11.743 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.618 -2.532 -10.760 1.00 0.00 H new ATOM 922 N ASP A 58 16.266 0.249 -7.899 1.00 0.00 N ATOM 923 CA ASP A 58 17.093 1.397 -7.581 1.00 0.00 C ATOM 924 C ASP A 58 18.164 1.618 -8.641 1.00 0.00 C ATOM 925 O ASP A 58 18.385 0.766 -9.502 1.00 0.00 O ATOM 926 CB ASP A 58 17.766 1.193 -6.225 1.00 0.00 C ATOM 927 CG ASP A 58 16.817 0.646 -5.175 1.00 0.00 C ATOM 928 OD1 ASP A 58 16.324 -0.486 -5.352 1.00 0.00 O ATOM 929 OD2 ASP A 58 16.567 1.354 -4.175 1.00 0.00 O ATOM 0 H ASP A 58 16.247 -0.467 -7.173 1.00 0.00 H new ATOM 0 HA ASP A 58 16.448 2.275 -7.550 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.606 0.509 -6.341 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.174 2.143 -5.880 1.00 0.00 H new ATOM 934 N PRO A 59 18.855 2.767 -8.582 1.00 0.00 N ATOM 935 CA PRO A 59 19.919 3.095 -9.531 1.00 0.00 C ATOM 936 C PRO A 59 21.047 2.069 -9.486 1.00 0.00 C ATOM 937 O PRO A 59 20.826 0.897 -9.187 1.00 0.00 O ATOM 938 CB PRO A 59 20.415 4.473 -9.058 1.00 0.00 C ATOM 939 CG PRO A 59 19.306 5.020 -8.229 1.00 0.00 C ATOM 940 CD PRO A 59 18.662 3.831 -7.581 1.00 0.00 C ATOM 0 HA PRO A 59 19.569 3.096 -10.563 1.00 0.00 H new ATOM 0 HB2 PRO A 59 21.334 4.384 -8.478 1.00 0.00 H new ATOM 0 HB3 PRO A 59 20.634 5.125 -9.904 1.00 0.00 H new ATOM 0 HG2 PRO A 59 19.683 5.718 -7.481 1.00 0.00 H new ATOM 0 HG3 PRO A 59 18.591 5.567 -8.843 1.00 0.00 H new ATOM 0 HD2 PRO A 59 19.135 3.583 -6.631 1.00 0.00 H new ATOM 0 HD3 PRO A 59 17.606 4.005 -7.375 1.00 0.00 H new ATOM 948 N SER A 60 22.253 2.522 -9.787 1.00 0.00 N ATOM 949 CA SER A 60 23.428 1.656 -9.787 1.00 0.00 C ATOM 950 C SER A 60 23.362 0.639 -10.926 1.00 0.00 C ATOM 951 O SER A 60 24.042 -0.388 -10.893 1.00 0.00 O ATOM 952 CB SER A 60 23.558 0.931 -8.443 1.00 0.00 C ATOM 953 OG SER A 60 24.863 1.076 -7.911 1.00 0.00 O ATOM 0 H SER A 60 22.448 3.492 -10.037 1.00 0.00 H new ATOM 0 HA SER A 60 24.306 2.283 -9.939 1.00 0.00 H new ATOM 0 HB2 SER A 60 22.828 1.330 -7.739 1.00 0.00 H new ATOM 0 HB3 SER A 60 23.330 -0.127 -8.573 1.00 0.00 H new ATOM 0 HG SER A 60 24.920 0.606 -7.053 1.00 0.00 H new ATOM 959 N ASN A 61 22.544 0.930 -11.934 1.00 0.00 N ATOM 960 CA ASN A 61 22.395 0.042 -13.080 1.00 0.00 C ATOM 961 C ASN A 61 21.817 0.794 -14.276 1.00 0.00 C ATOM 962 O ASN A 61 20.786 0.408 -14.828 1.00 0.00 O ATOM 963 CB ASN A 61 21.497 -1.144 -12.722 1.00 0.00 C ATOM 964 CG ASN A 61 20.098 -0.712 -12.326 1.00 0.00 C ATOM 965 OD1 ASN A 61 19.875 -0.239 -11.212 1.00 0.00 O ATOM 966 ND2 ASN A 61 19.149 -0.873 -13.240 1.00 0.00 N ATOM 0 H ASN A 61 21.974 1.775 -11.979 1.00 0.00 H new ATOM 0 HA ASN A 61 23.382 -0.332 -13.351 1.00 0.00 H new ATOM 0 HB2 ASN A 61 21.438 -1.821 -13.574 1.00 0.00 H new ATOM 0 HB3 ASN A 61 21.948 -1.703 -11.902 1.00 0.00 H new ATOM 0 HD21 ASN A 61 18.189 -0.600 -13.031 1.00 0.00 H new ATOM 0 HD22 ASN A 61 19.380 -1.270 -14.151 1.00 0.00 H new ATOM 973 N LYS A 62 22.489 1.871 -14.669 1.00 0.00 N ATOM 974 CA LYS A 62 22.041 2.680 -15.796 1.00 0.00 C ATOM 975 C LYS A 62 22.442 2.041 -17.122 1.00 0.00 C ATOM 976 O LYS A 62 23.361 1.222 -17.175 1.00 0.00 O ATOM 977 CB LYS A 62 22.628 4.091 -15.700 1.00 0.00 C ATOM 978 CG LYS A 62 21.770 5.055 -14.899 1.00 0.00 C ATOM 979 CD LYS A 62 22.328 6.468 -14.943 1.00 0.00 C ATOM 980 CE LYS A 62 23.116 6.794 -13.684 1.00 0.00 C ATOM 981 NZ LYS A 62 24.074 7.911 -13.903 1.00 0.00 N ATOM 0 H LYS A 62 23.345 2.203 -14.224 1.00 0.00 H new ATOM 0 HA LYS A 62 20.953 2.740 -15.758 1.00 0.00 H new ATOM 0 HB2 LYS A 62 23.617 4.034 -15.245 1.00 0.00 H new ATOM 0 HB3 LYS A 62 22.763 4.488 -16.706 1.00 0.00 H new ATOM 0 HG2 LYS A 62 20.754 5.052 -15.293 1.00 0.00 H new ATOM 0 HG3 LYS A 62 21.712 4.718 -13.864 1.00 0.00 H new ATOM 0 HD2 LYS A 62 22.972 6.579 -15.816 1.00 0.00 H new ATOM 0 HD3 LYS A 62 21.511 7.180 -15.057 1.00 0.00 H new ATOM 0 HE2 LYS A 62 22.426 7.059 -12.883 1.00 0.00 H new ATOM 0 HE3 LYS A 62 23.660 5.908 -13.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 24.591 8.102 -13.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 24.748 7.649 -14.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 23.553 8.764 -14.191 1.00 0.00 H new ATOM 995 N LYS A 63 21.748 2.421 -18.189 1.00 0.00 N ATOM 996 CA LYS A 63 22.028 1.886 -19.515 1.00 0.00 C ATOM 997 C LYS A 63 21.507 2.826 -20.600 1.00 0.00 C ATOM 998 O LYS A 63 22.206 3.119 -21.570 1.00 0.00 O ATOM 999 CB LYS A 63 21.398 0.500 -19.674 1.00 0.00 C ATOM 1000 CG LYS A 63 22.417 -0.623 -19.775 1.00 0.00 C ATOM 1001 CD LYS A 63 22.067 -1.603 -20.887 1.00 0.00 C ATOM 1002 CE LYS A 63 23.139 -1.632 -21.966 1.00 0.00 C ATOM 1003 NZ LYS A 63 22.851 -0.662 -23.059 1.00 0.00 N ATOM 0 H LYS A 63 20.986 3.099 -18.161 1.00 0.00 H new ATOM 0 HA LYS A 63 23.109 1.798 -19.625 1.00 0.00 H new ATOM 0 HB2 LYS A 63 20.742 0.309 -18.825 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.773 0.494 -20.567 1.00 0.00 H new ATOM 0 HG2 LYS A 63 23.405 -0.202 -19.959 1.00 0.00 H new ATOM 0 HG3 LYS A 63 22.468 -1.154 -18.825 1.00 0.00 H new ATOM 0 HD2 LYS A 63 21.945 -2.602 -20.468 1.00 0.00 H new ATOM 0 HD3 LYS A 63 21.111 -1.325 -21.331 1.00 0.00 H new ATOM 0 HE2 LYS A 63 24.108 -1.402 -21.522 1.00 0.00 H new ATOM 0 HE3 LYS A 63 23.209 -2.637 -22.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 23.604 -0.712 -23.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 21.939 -0.896 -23.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 22.809 0.300 -22.667 1.00 0.00 H new ATOM 1017 N THR A 64 20.275 3.295 -20.427 1.00 0.00 N ATOM 1018 CA THR A 64 19.661 4.202 -21.390 1.00 0.00 C ATOM 1019 C THR A 64 18.947 5.348 -20.677 1.00 0.00 C ATOM 1020 O THR A 64 18.050 5.124 -19.864 1.00 0.00 O ATOM 1021 CB THR A 64 18.673 3.442 -22.279 1.00 0.00 C ATOM 1022 OG1 THR A 64 18.257 2.241 -21.655 1.00 0.00 O ATOM 1023 CG2 THR A 64 19.245 3.083 -23.633 1.00 0.00 C ATOM 0 H THR A 64 19.683 3.062 -19.630 1.00 0.00 H new ATOM 0 HA THR A 64 20.450 4.622 -22.014 1.00 0.00 H new ATOM 0 HB THR A 64 17.833 4.121 -22.425 1.00 0.00 H new ATOM 0 HG1 THR A 64 17.625 1.771 -22.238 1.00 0.00 H new ATOM 0 HG21 THR A 64 18.495 2.546 -24.214 1.00 0.00 H new ATOM 0 HG22 THR A 64 19.530 3.993 -24.161 1.00 0.00 H new ATOM 0 HG23 THR A 64 20.123 2.451 -23.501 1.00 0.00 H new ATOM 1031 N THR A 65 19.353 6.575 -20.988 1.00 0.00 N ATOM 1032 CA THR A 65 18.753 7.756 -20.377 1.00 0.00 C ATOM 1033 C THR A 65 17.547 8.231 -21.181 1.00 0.00 C ATOM 1034 O THR A 65 17.625 8.397 -22.398 1.00 0.00 O ATOM 1035 CB THR A 65 19.784 8.880 -20.272 1.00 0.00 C ATOM 1036 OG1 THR A 65 20.023 9.462 -21.541 1.00 0.00 O ATOM 1037 CG2 THR A 65 21.115 8.421 -19.718 1.00 0.00 C ATOM 0 H THR A 65 20.094 6.777 -21.659 1.00 0.00 H new ATOM 0 HA THR A 65 18.416 7.486 -19.376 1.00 0.00 H new ATOM 0 HB THR A 65 19.352 9.604 -19.581 1.00 0.00 H new ATOM 0 HG1 THR A 65 20.684 10.180 -21.452 1.00 0.00 H new ATOM 0 HG21 THR A 65 21.800 9.267 -19.670 1.00 0.00 H new ATOM 0 HG22 THR A 65 20.971 8.013 -18.717 1.00 0.00 H new ATOM 0 HG23 THR A 65 21.533 7.652 -20.367 1.00 0.00 H new ATOM 1045 N ALA A 66 16.430 8.446 -20.492 1.00 0.00 N ATOM 1046 CA ALA A 66 15.208 8.901 -21.142 1.00 0.00 C ATOM 1047 C ALA A 66 14.527 9.996 -20.326 1.00 0.00 C ATOM 1048 O ALA A 66 13.989 9.680 -19.244 1.00 0.00 O ATOM 1049 CB ALA A 66 14.258 7.733 -21.354 1.00 0.00 C ATOM 1050 OXT ALA A 66 14.538 11.161 -20.777 1.00 0.00 O ATOM 0 H ALA A 66 16.347 8.312 -19.484 1.00 0.00 H new ATOM 0 HA ALA A 66 15.476 9.319 -22.112 1.00 0.00 H new ATOM 0 HB1 ALA A 66 13.349 8.087 -21.840 1.00 0.00 H new ATOM 0 HB2 ALA A 66 14.738 6.983 -21.983 1.00 0.00 H new ATOM 0 HB3 ALA A 66 14.005 7.290 -20.391 1.00 0.00 H new TER 1056 ALA A 66