USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 627 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= -0.135 (180deg=-0.135) USER MOD Single : A 1 MET N :NH3+ 175:sc= -1.76! (180deg=-1.83!) USER MOD Single : A 2 GLN : amide:sc= -3.33! K(o=-3.3!,f=-1.2) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -90:sc= 0.0909 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -131:sc= 0.436 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0121 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 157:sc=-0.00399 (180deg=-0.0858) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.129 K(o=-0.13,f=-0.8) USER MOD Single : A 41 GLN : amide:sc= -5.01! C(o=-5!,f=-7.4!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.194 K(o=-0.19,f=-1.2!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 19:sc= 0.673 USER MOD Single : A 60 ASN : amide:sc=-0.00989 K(o=-0.0099,f=-1.5) USER MOD Single : A 62 GLN : amide:sc= -0.118 K(o=-0.12,f=-2.4!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 74:sc= -0.864 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.278 -5.707 4.378 1.00 0.00 N ATOM 2 CA MET A 1 -12.412 -5.028 5.655 1.00 0.00 C ATOM 3 C MET A 1 -11.594 -3.735 5.678 1.00 0.00 C ATOM 4 O MET A 1 -11.104 -3.288 4.641 1.00 0.00 O ATOM 5 CB MET A 1 -11.935 -5.952 6.778 1.00 0.00 C ATOM 6 CG MET A 1 -10.444 -6.264 6.635 1.00 0.00 C ATOM 7 SD MET A 1 -9.933 -7.396 7.917 1.00 0.00 S ATOM 8 CE MET A 1 -10.301 -8.951 7.122 1.00 0.00 C ATOM 0 H1 MET A 1 -12.773 -6.621 4.417 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.694 -5.120 3.627 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.271 -5.867 4.174 1.00 0.00 H new ATOM 0 HA MET A 1 -13.462 -4.775 5.801 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.121 -5.482 7.744 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.508 -6.879 6.759 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.247 -6.698 5.655 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.863 -5.344 6.698 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.040 -9.772 7.790 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.365 -8.997 6.888 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.723 -9.035 6.201 1.00 0.00 H new ATOM 18 N GLN A 2 -11.472 -3.169 6.870 1.00 0.00 N ATOM 19 CA GLN A 2 -10.723 -1.936 7.040 1.00 0.00 C ATOM 20 C GLN A 2 -9.246 -2.243 7.294 1.00 0.00 C ATOM 21 O GLN A 2 -8.913 -3.282 7.864 1.00 0.00 O ATOM 22 CB GLN A 2 -11.310 -1.090 8.171 1.00 0.00 C ATOM 23 CG GLN A 2 -10.462 0.161 8.417 1.00 0.00 C ATOM 24 CD GLN A 2 -11.062 1.019 9.533 1.00 0.00 C ATOM 25 OE1 GLN A 2 -11.162 0.612 10.678 1.00 0.00 O ATOM 26 NE2 GLN A 2 -11.454 2.226 9.135 1.00 0.00 N ATOM 0 H GLN A 2 -11.880 -3.542 7.727 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.800 -1.357 6.120 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.330 -0.799 7.920 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.363 -1.683 9.084 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.446 -0.131 8.684 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.395 0.746 7.500 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -11.341 2.503 8.160 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -11.868 2.875 9.805 1.00 0.00 H new ATOM 35 N ILE A 3 -8.398 -1.322 6.861 1.00 0.00 N ATOM 36 CA ILE A 3 -6.965 -1.481 7.035 1.00 0.00 C ATOM 37 C ILE A 3 -6.340 -0.121 7.353 1.00 0.00 C ATOM 38 O ILE A 3 -6.950 0.919 7.111 1.00 0.00 O ATOM 39 CB ILE A 3 -6.351 -2.170 5.815 1.00 0.00 C ATOM 40 CG1 ILE A 3 -6.247 -1.203 4.634 1.00 0.00 C ATOM 41 CG2 ILE A 3 -7.127 -3.437 5.451 1.00 0.00 C ATOM 42 CD1 ILE A 3 -4.975 -0.358 4.727 1.00 0.00 C ATOM 0 H ILE A 3 -8.677 -0.462 6.389 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.754 -2.135 7.881 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.337 -2.477 6.071 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.248 -1.764 3.699 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -7.120 -0.551 4.615 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.669 -3.907 4.580 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.105 -4.131 6.291 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.160 -3.177 5.222 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.926 0.321 3.875 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -4.989 0.220 5.651 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.103 -1.012 4.721 1.00 0.00 H new ATOM 54 N PHE A 4 -5.131 -0.173 7.890 1.00 0.00 N ATOM 55 CA PHE A 4 -4.416 1.042 8.244 1.00 0.00 C ATOM 56 C PHE A 4 -3.113 1.162 7.452 1.00 0.00 C ATOM 57 O PHE A 4 -2.117 0.520 7.784 1.00 0.00 O ATOM 58 CB PHE A 4 -4.085 0.947 9.735 1.00 0.00 C ATOM 59 CG PHE A 4 -5.175 1.504 10.652 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.436 0.998 10.595 1.00 0.00 C ATOM 61 CD2 PHE A 4 -4.884 2.507 11.523 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.448 1.514 11.446 1.00 0.00 C ATOM 63 CE2 PHE A 4 -5.897 3.025 12.374 1.00 0.00 C ATOM 64 CZ PHE A 4 -7.158 2.517 12.317 1.00 0.00 C ATOM 0 H PHE A 4 -4.627 -1.037 8.089 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.029 1.914 8.017 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.908 -0.098 9.991 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.156 1.484 9.925 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.668 0.203 9.902 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.883 2.910 11.568 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.449 1.110 11.402 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.666 3.822 13.066 1.00 0.00 H new ATOM 0 HZ PHE A 4 -7.928 2.910 12.964 1.00 0.00 H new ATOM 74 N VAL A 5 -3.162 1.989 6.418 1.00 0.00 N ATOM 75 CA VAL A 5 -1.998 2.202 5.574 1.00 0.00 C ATOM 76 C VAL A 5 -1.181 3.372 6.126 1.00 0.00 C ATOM 77 O VAL A 5 -1.740 4.317 6.682 1.00 0.00 O ATOM 78 CB VAL A 5 -2.435 2.411 4.122 1.00 0.00 C ATOM 79 CG1 VAL A 5 -2.697 3.891 3.836 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.401 1.839 3.151 1.00 0.00 C ATOM 0 H VAL A 5 -3.989 2.520 6.145 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.354 1.322 5.582 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.370 1.871 3.972 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.006 4.012 2.798 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.486 4.255 4.494 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.786 4.462 4.012 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.736 2.001 2.126 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.444 2.338 3.303 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.285 0.770 3.331 1.00 0.00 H new ATOM 90 N LYS A 6 0.129 3.271 5.954 1.00 0.00 N ATOM 91 CA LYS A 6 1.029 4.308 6.428 1.00 0.00 C ATOM 92 C LYS A 6 1.554 5.107 5.232 1.00 0.00 C ATOM 93 O LYS A 6 1.705 4.566 4.138 1.00 0.00 O ATOM 94 CB LYS A 6 2.133 3.704 7.297 1.00 0.00 C ATOM 95 CG LYS A 6 2.287 4.480 8.606 1.00 0.00 C ATOM 96 CD LYS A 6 2.778 3.567 9.731 1.00 0.00 C ATOM 97 CE LYS A 6 3.170 4.381 10.966 1.00 0.00 C ATOM 98 NZ LYS A 6 3.865 3.523 11.952 1.00 0.00 N ATOM 0 H LYS A 6 0.589 2.486 5.492 1.00 0.00 H new ATOM 0 HA LYS A 6 0.497 5.009 7.072 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.901 2.661 7.513 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.076 3.714 6.751 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.991 5.301 8.466 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.331 4.924 8.884 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.996 2.855 9.994 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.634 2.987 9.386 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.818 5.208 10.674 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.280 4.818 11.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.124 4.090 12.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.235 2.749 12.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.725 3.126 11.522 1.00 0.00 H new ATOM 112 N THR A 7 1.819 6.380 5.483 1.00 0.00 N ATOM 113 CA THR A 7 2.325 7.258 4.441 1.00 0.00 C ATOM 114 C THR A 7 3.824 7.501 4.629 1.00 0.00 C ATOM 115 O THR A 7 4.357 7.300 5.720 1.00 0.00 O ATOM 116 CB THR A 7 1.495 8.544 4.461 1.00 0.00 C ATOM 117 OG1 THR A 7 1.645 9.033 5.792 1.00 0.00 O ATOM 118 CG2 THR A 7 -0.006 8.272 4.331 1.00 0.00 C ATOM 0 H THR A 7 1.693 6.825 6.392 1.00 0.00 H new ATOM 0 HA THR A 7 2.222 6.802 3.456 1.00 0.00 H new ATOM 0 HB THR A 7 1.818 9.198 3.651 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.932 8.669 6.357 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.550 9.216 4.351 1.00 0.00 H new ATOM 0 HG22 THR A 7 -0.203 7.759 3.389 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.336 7.646 5.160 1.00 0.00 H new ATOM 126 N LEU A 8 4.461 7.929 3.550 1.00 0.00 N ATOM 127 CA LEU A 8 5.888 8.202 3.582 1.00 0.00 C ATOM 128 C LEU A 8 6.155 9.396 4.500 1.00 0.00 C ATOM 129 O LEU A 8 7.308 9.737 4.762 1.00 0.00 O ATOM 130 CB LEU A 8 6.431 8.383 2.163 1.00 0.00 C ATOM 131 CG LEU A 8 7.895 7.995 1.951 1.00 0.00 C ATOM 132 CD1 LEU A 8 8.149 6.551 2.390 1.00 0.00 C ATOM 133 CD2 LEU A 8 8.321 8.235 0.501 1.00 0.00 C ATOM 0 H LEU A 8 4.015 8.094 2.647 1.00 0.00 H new ATOM 0 HA LEU A 8 6.429 7.352 3.999 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.817 7.793 1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.308 9.428 1.879 1.00 0.00 H new ATOM 0 HG LEU A 8 8.513 8.637 2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.198 6.301 2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.909 6.445 3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.521 5.878 1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.366 7.951 0.377 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.701 7.635 -0.165 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.200 9.290 0.256 1.00 0.00 H new ATOM 145 N THR A 9 5.070 9.997 4.966 1.00 0.00 N ATOM 146 CA THR A 9 5.172 11.146 5.850 1.00 0.00 C ATOM 147 C THR A 9 4.998 10.714 7.308 1.00 0.00 C ATOM 148 O THR A 9 4.982 11.551 8.209 1.00 0.00 O ATOM 149 CB THR A 9 4.144 12.184 5.396 1.00 0.00 C ATOM 150 OG1 THR A 9 4.493 12.450 4.041 1.00 0.00 O ATOM 151 CG2 THR A 9 4.325 13.532 6.098 1.00 0.00 C ATOM 0 H THR A 9 4.116 9.710 4.748 1.00 0.00 H new ATOM 0 HA THR A 9 6.161 11.602 5.795 1.00 0.00 H new ATOM 0 HB THR A 9 3.139 11.807 5.586 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.875 13.113 3.668 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.571 14.233 5.740 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.215 13.399 7.174 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.318 13.925 5.880 1.00 0.00 H new ATOM 159 N GLY A 10 4.871 9.409 7.494 1.00 0.00 N ATOM 160 CA GLY A 10 4.699 8.856 8.826 1.00 0.00 C ATOM 161 C GLY A 10 3.242 8.962 9.279 1.00 0.00 C ATOM 162 O GLY A 10 2.871 8.425 10.322 1.00 0.00 O ATOM 0 H GLY A 10 4.884 8.718 6.744 1.00 0.00 H new ATOM 0 HA2 GLY A 10 5.011 7.812 8.833 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.342 9.385 9.529 1.00 0.00 H new ATOM 166 N LYS A 11 2.453 9.658 8.472 1.00 0.00 N ATOM 167 CA LYS A 11 1.044 9.839 8.777 1.00 0.00 C ATOM 168 C LYS A 11 0.303 8.522 8.547 1.00 0.00 C ATOM 169 O LYS A 11 0.681 7.735 7.679 1.00 0.00 O ATOM 170 CB LYS A 11 0.472 11.015 7.981 1.00 0.00 C ATOM 171 CG LYS A 11 -0.949 11.348 8.440 1.00 0.00 C ATOM 172 CD LYS A 11 -1.469 12.606 7.743 1.00 0.00 C ATOM 173 CE LYS A 11 -2.999 12.612 7.693 1.00 0.00 C ATOM 174 NZ LYS A 11 -3.500 13.961 7.346 1.00 0.00 N ATOM 0 H LYS A 11 2.763 10.103 7.608 1.00 0.00 H new ATOM 0 HA LYS A 11 0.911 10.099 9.827 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.112 11.888 8.105 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.467 10.772 6.919 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.611 10.509 8.225 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.961 11.495 9.520 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.115 13.491 8.271 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.068 12.657 6.731 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.348 11.887 6.957 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.402 12.305 8.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.539 13.948 7.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.183 14.644 8.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.130 14.240 6.415 1.00 0.00 H new ATOM 188 N THR A 12 -0.741 8.321 9.338 1.00 0.00 N ATOM 189 CA THR A 12 -1.539 7.112 9.232 1.00 0.00 C ATOM 190 C THR A 12 -2.854 7.404 8.504 1.00 0.00 C ATOM 191 O THR A 12 -3.573 8.335 8.864 1.00 0.00 O ATOM 192 CB THR A 12 -1.736 6.549 10.641 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.431 6.131 11.032 1.00 0.00 O ATOM 194 CG2 THR A 12 -2.558 5.259 10.647 1.00 0.00 C ATOM 0 H THR A 12 -1.053 8.976 10.055 1.00 0.00 H new ATOM 0 HA THR A 12 -1.033 6.355 8.633 1.00 0.00 H new ATOM 0 HB THR A 12 -2.228 7.295 11.265 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.465 5.754 11.936 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.668 4.902 11.671 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.543 5.453 10.223 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.050 4.501 10.051 1.00 0.00 H new ATOM 202 N ILE A 13 -3.128 6.590 7.496 1.00 0.00 N ATOM 203 CA ILE A 13 -4.343 6.748 6.715 1.00 0.00 C ATOM 204 C ILE A 13 -5.118 5.429 6.712 1.00 0.00 C ATOM 205 O ILE A 13 -4.609 4.407 6.254 1.00 0.00 O ATOM 206 CB ILE A 13 -4.017 7.274 5.316 1.00 0.00 C ATOM 207 CG1 ILE A 13 -3.462 8.698 5.380 1.00 0.00 C ATOM 208 CG2 ILE A 13 -5.234 7.174 4.395 1.00 0.00 C ATOM 209 CD1 ILE A 13 -2.980 9.161 4.004 1.00 0.00 C ATOM 0 H ILE A 13 -2.529 5.818 7.202 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.992 7.498 7.168 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.237 6.644 4.888 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.233 9.376 5.747 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.637 8.739 6.091 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.975 7.555 3.407 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.544 6.132 4.313 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.052 7.764 4.808 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.590 10.176 4.078 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.193 8.495 3.651 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.813 9.142 3.301 1.00 0.00 H new ATOM 221 N THR A 14 -6.337 5.495 7.229 1.00 0.00 N ATOM 222 CA THR A 14 -7.187 4.317 7.290 1.00 0.00 C ATOM 223 C THR A 14 -8.140 4.285 6.094 1.00 0.00 C ATOM 224 O THR A 14 -8.614 5.327 5.645 1.00 0.00 O ATOM 225 CB THR A 14 -7.907 4.324 8.641 1.00 0.00 C ATOM 226 OG1 THR A 14 -6.878 4.624 9.580 1.00 0.00 O ATOM 227 CG2 THR A 14 -8.394 2.934 9.052 1.00 0.00 C ATOM 0 H THR A 14 -6.756 6.344 7.609 1.00 0.00 H new ATOM 0 HA THR A 14 -6.600 3.401 7.222 1.00 0.00 H new ATOM 0 HB THR A 14 -8.756 5.007 8.597 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.919 3.988 10.324 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.897 2.995 10.017 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.090 2.556 8.303 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.542 2.258 9.129 1.00 0.00 H new ATOM 235 N LEU A 15 -8.393 3.076 5.613 1.00 0.00 N ATOM 236 CA LEU A 15 -9.282 2.893 4.478 1.00 0.00 C ATOM 237 C LEU A 15 -10.182 1.682 4.730 1.00 0.00 C ATOM 238 O LEU A 15 -9.693 0.590 5.013 1.00 0.00 O ATOM 239 CB LEU A 15 -8.478 2.804 3.179 1.00 0.00 C ATOM 240 CG LEU A 15 -9.116 3.454 1.949 1.00 0.00 C ATOM 241 CD1 LEU A 15 -10.236 2.578 1.383 1.00 0.00 C ATOM 242 CD2 LEU A 15 -9.602 4.869 2.269 1.00 0.00 C ATOM 0 H LEU A 15 -7.998 2.214 5.989 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.937 3.757 4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.505 3.265 3.345 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.299 1.752 2.957 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.354 3.541 1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.672 3.064 0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.829 1.609 1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.006 2.437 2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.051 5.309 1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.343 4.827 3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.758 5.480 2.589 1.00 0.00 H new ATOM 254 N GLU A 16 -11.481 1.917 4.617 1.00 0.00 N ATOM 255 CA GLU A 16 -12.454 0.859 4.829 1.00 0.00 C ATOM 256 C GLU A 16 -12.829 0.208 3.496 1.00 0.00 C ATOM 257 O GLU A 16 -13.399 0.859 2.622 1.00 0.00 O ATOM 258 CB GLU A 16 -13.696 1.392 5.547 1.00 0.00 C ATOM 259 CG GLU A 16 -13.320 2.045 6.879 1.00 0.00 C ATOM 260 CD GLU A 16 -14.558 2.601 7.585 1.00 0.00 C ATOM 261 OE1 GLU A 16 -15.185 3.510 7.001 1.00 0.00 O ATOM 262 OE2 GLU A 16 -14.850 2.103 8.694 1.00 0.00 O ATOM 0 H GLU A 16 -11.882 2.825 4.381 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.003 0.100 5.468 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.204 2.118 4.912 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -14.397 0.576 5.723 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.829 1.314 7.521 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.604 2.849 6.705 1.00 0.00 H new ATOM 269 N VAL A 17 -12.493 -1.069 3.383 1.00 0.00 N ATOM 270 CA VAL A 17 -12.788 -1.816 2.172 1.00 0.00 C ATOM 271 C VAL A 17 -13.303 -3.207 2.547 1.00 0.00 C ATOM 272 O VAL A 17 -13.416 -3.532 3.728 1.00 0.00 O ATOM 273 CB VAL A 17 -11.553 -1.858 1.270 1.00 0.00 C ATOM 274 CG1 VAL A 17 -11.042 -0.447 0.973 1.00 0.00 C ATOM 275 CG2 VAL A 17 -10.451 -2.721 1.890 1.00 0.00 C ATOM 0 H VAL A 17 -12.019 -1.605 4.110 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.575 -1.323 1.601 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.844 -2.314 0.324 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.164 -0.506 0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.822 0.124 0.470 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.775 0.047 1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.584 -2.734 1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.164 -2.306 2.856 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.819 -3.738 2.027 1.00 0.00 H new ATOM 285 N GLU A 18 -13.601 -3.989 1.521 1.00 0.00 N ATOM 286 CA GLU A 18 -14.100 -5.338 1.728 1.00 0.00 C ATOM 287 C GLU A 18 -13.022 -6.364 1.376 1.00 0.00 C ATOM 288 O GLU A 18 -12.064 -6.047 0.672 1.00 0.00 O ATOM 289 CB GLU A 18 -15.375 -5.581 0.917 1.00 0.00 C ATOM 290 CG GLU A 18 -16.620 -5.249 1.739 1.00 0.00 C ATOM 291 CD GLU A 18 -17.036 -6.438 2.609 1.00 0.00 C ATOM 292 OE1 GLU A 18 -17.599 -7.393 2.033 1.00 0.00 O ATOM 293 OE2 GLU A 18 -16.781 -6.362 3.830 1.00 0.00 O ATOM 0 H GLU A 18 -13.507 -3.715 0.543 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.351 -5.453 2.782 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.358 -4.970 0.014 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.413 -6.622 0.597 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -16.423 -4.383 2.371 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -17.439 -4.978 1.072 1.00 0.00 H new ATOM 300 N PRO A 19 -13.218 -7.605 1.897 1.00 0.00 N ATOM 301 CA PRO A 19 -12.273 -8.680 1.645 1.00 0.00 C ATOM 302 C PRO A 19 -12.419 -9.216 0.219 1.00 0.00 C ATOM 303 O PRO A 19 -11.558 -9.949 -0.263 1.00 0.00 O ATOM 304 CB PRO A 19 -12.574 -9.725 2.706 1.00 0.00 C ATOM 305 CG PRO A 19 -13.970 -9.410 3.218 1.00 0.00 C ATOM 306 CD PRO A 19 -14.340 -8.017 2.735 1.00 0.00 C ATOM 0 HA PRO A 19 -11.236 -8.352 1.711 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.529 -10.730 2.287 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.843 -9.683 3.514 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.686 -10.144 2.850 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.997 -9.456 4.307 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.272 -8.028 2.171 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.482 -7.333 3.571 1.00 0.00 H new ATOM 314 N SER A 20 -13.516 -8.830 -0.414 1.00 0.00 N ATOM 315 CA SER A 20 -13.788 -9.263 -1.775 1.00 0.00 C ATOM 316 C SER A 20 -13.169 -8.278 -2.769 1.00 0.00 C ATOM 317 O SER A 20 -12.860 -8.646 -3.902 1.00 0.00 O ATOM 318 CB SER A 20 -15.292 -9.394 -2.022 1.00 0.00 C ATOM 319 OG SER A 20 -16.005 -8.235 -1.600 1.00 0.00 O ATOM 0 H SER A 20 -14.228 -8.222 -0.010 1.00 0.00 H new ATOM 0 HA SER A 20 -13.339 -10.246 -1.919 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.472 -9.564 -3.084 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.672 -10.267 -1.491 1.00 0.00 H new ATOM 0 HG SER A 20 -16.961 -8.357 -1.776 1.00 0.00 H new ATOM 325 N ASP A 21 -13.008 -7.045 -2.311 1.00 0.00 N ATOM 326 CA ASP A 21 -12.433 -6.005 -3.146 1.00 0.00 C ATOM 327 C ASP A 21 -10.967 -6.338 -3.431 1.00 0.00 C ATOM 328 O ASP A 21 -10.265 -6.860 -2.565 1.00 0.00 O ATOM 329 CB ASP A 21 -12.482 -4.646 -2.446 1.00 0.00 C ATOM 330 CG ASP A 21 -13.811 -4.318 -1.764 1.00 0.00 C ATOM 331 OD1 ASP A 21 -14.811 -4.976 -2.122 1.00 0.00 O ATOM 332 OD2 ASP A 21 -13.798 -3.416 -0.898 1.00 0.00 O ATOM 0 H ASP A 21 -13.266 -6.743 -1.371 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.011 -5.956 -4.069 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.689 -4.610 -1.699 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.265 -3.869 -3.179 1.00 0.00 H new ATOM 337 N THR A 22 -10.546 -6.022 -4.646 1.00 0.00 N ATOM 338 CA THR A 22 -9.176 -6.281 -5.056 1.00 0.00 C ATOM 339 C THR A 22 -8.268 -5.123 -4.641 1.00 0.00 C ATOM 340 O THR A 22 -8.748 -4.081 -4.196 1.00 0.00 O ATOM 341 CB THR A 22 -9.175 -6.544 -6.563 1.00 0.00 C ATOM 342 OG1 THR A 22 -9.712 -5.350 -7.124 1.00 0.00 O ATOM 343 CG2 THR A 22 -10.175 -7.630 -6.969 1.00 0.00 C ATOM 0 H THR A 22 -11.130 -5.588 -5.361 1.00 0.00 H new ATOM 0 HA THR A 22 -8.774 -7.163 -4.558 1.00 0.00 H new ATOM 0 HB THR A 22 -8.174 -6.836 -6.880 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.746 -5.433 -8.100 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.134 -7.777 -8.048 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.923 -8.563 -6.465 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.181 -7.324 -6.683 1.00 0.00 H new ATOM 351 N ILE A 23 -6.971 -5.342 -4.802 1.00 0.00 N ATOM 352 CA ILE A 23 -5.991 -4.329 -4.449 1.00 0.00 C ATOM 353 C ILE A 23 -6.271 -3.055 -5.248 1.00 0.00 C ATOM 354 O ILE A 23 -6.203 -1.952 -4.709 1.00 0.00 O ATOM 355 CB ILE A 23 -4.571 -4.870 -4.632 1.00 0.00 C ATOM 356 CG1 ILE A 23 -4.277 -5.985 -3.626 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.541 -3.743 -4.556 1.00 0.00 C ATOM 358 CD1 ILE A 23 -4.375 -5.468 -2.190 1.00 0.00 C ATOM 0 H ILE A 23 -6.576 -6.206 -5.172 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.075 -4.069 -3.394 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.496 -5.306 -5.628 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -4.981 -6.804 -3.770 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.280 -6.387 -3.804 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.541 -4.155 -4.689 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.741 -3.014 -5.341 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.606 -3.256 -3.583 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.162 -6.280 -1.495 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.653 -4.665 -2.042 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.381 -5.089 -2.007 1.00 0.00 H new ATOM 370 N GLU A 24 -6.580 -3.249 -6.523 1.00 0.00 N ATOM 371 CA GLU A 24 -6.870 -2.130 -7.401 1.00 0.00 C ATOM 372 C GLU A 24 -8.073 -1.343 -6.879 1.00 0.00 C ATOM 373 O GLU A 24 -8.103 -0.116 -6.969 1.00 0.00 O ATOM 374 CB GLU A 24 -7.108 -2.607 -8.835 1.00 0.00 C ATOM 375 CG GLU A 24 -7.045 -1.436 -9.820 1.00 0.00 C ATOM 376 CD GLU A 24 -8.032 -1.635 -10.972 1.00 0.00 C ATOM 377 OE1 GLU A 24 -8.120 -2.785 -11.452 1.00 0.00 O ATOM 378 OE2 GLU A 24 -8.677 -0.631 -11.346 1.00 0.00 O ATOM 0 H GLU A 24 -6.635 -4.165 -6.968 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.004 -1.468 -7.411 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.360 -3.353 -9.103 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.081 -3.093 -8.904 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.271 -0.506 -9.299 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.033 -1.342 -10.215 1.00 0.00 H new ATOM 385 N ASN A 25 -9.035 -2.079 -6.343 1.00 0.00 N ATOM 386 CA ASN A 25 -10.237 -1.466 -5.806 1.00 0.00 C ATOM 387 C ASN A 25 -9.865 -0.593 -4.604 1.00 0.00 C ATOM 388 O ASN A 25 -10.340 0.534 -4.481 1.00 0.00 O ATOM 389 CB ASN A 25 -11.231 -2.526 -5.330 1.00 0.00 C ATOM 390 CG ASN A 25 -12.584 -2.359 -6.025 1.00 0.00 C ATOM 391 OD1 ASN A 25 -12.732 -2.587 -7.215 1.00 0.00 O ATOM 392 ND2 ASN A 25 -13.561 -1.952 -5.220 1.00 0.00 N ATOM 0 H ASN A 25 -9.006 -3.096 -6.269 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.695 -0.872 -6.597 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.834 -3.520 -5.534 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.361 -2.450 -4.250 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.502 -1.813 -5.589 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -13.370 -1.779 -4.233 1.00 0.00 H new ATOM 399 N VAL A 26 -9.019 -1.149 -3.750 1.00 0.00 N ATOM 400 CA VAL A 26 -8.578 -0.436 -2.562 1.00 0.00 C ATOM 401 C VAL A 26 -7.782 0.801 -2.982 1.00 0.00 C ATOM 402 O VAL A 26 -7.967 1.881 -2.425 1.00 0.00 O ATOM 403 CB VAL A 26 -7.788 -1.376 -1.651 1.00 0.00 C ATOM 404 CG1 VAL A 26 -7.650 -0.789 -0.245 1.00 0.00 C ATOM 405 CG2 VAL A 26 -8.430 -2.764 -1.604 1.00 0.00 C ATOM 0 H VAL A 26 -8.627 -2.085 -3.856 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.434 -0.090 -1.983 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.787 -1.484 -2.070 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.084 -1.477 0.383 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.127 0.166 -0.299 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.640 -0.637 0.185 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.848 -3.412 -0.949 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.447 -2.682 -1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.453 -3.189 -2.608 1.00 0.00 H new ATOM 415 N LYS A 27 -6.911 0.600 -3.960 1.00 0.00 N ATOM 416 CA LYS A 27 -6.085 1.686 -4.461 1.00 0.00 C ATOM 417 C LYS A 27 -6.982 2.764 -5.071 1.00 0.00 C ATOM 418 O LYS A 27 -6.747 3.956 -4.875 1.00 0.00 O ATOM 419 CB LYS A 27 -5.024 1.150 -5.425 1.00 0.00 C ATOM 420 CG LYS A 27 -3.744 0.772 -4.678 1.00 0.00 C ATOM 421 CD LYS A 27 -3.412 -0.709 -4.875 1.00 0.00 C ATOM 422 CE LYS A 27 -1.905 -0.952 -4.767 1.00 0.00 C ATOM 423 NZ LYS A 27 -1.392 -1.585 -6.003 1.00 0.00 N ATOM 0 H LYS A 27 -6.759 -0.298 -4.419 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.534 2.154 -3.645 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.413 0.278 -5.951 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.800 1.904 -6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.916 1.385 -5.035 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.863 0.984 -3.615 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.935 -1.305 -4.127 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.768 -1.039 -5.851 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.390 -0.007 -4.594 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.694 -1.591 -3.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.373 -1.396 -6.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.551 -2.612 -5.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.891 -1.193 -6.827 1.00 0.00 H new ATOM 437 N ALA A 28 -7.992 2.308 -5.797 1.00 0.00 N ATOM 438 CA ALA A 28 -8.925 3.220 -6.436 1.00 0.00 C ATOM 439 C ALA A 28 -9.632 4.053 -5.365 1.00 0.00 C ATOM 440 O ALA A 28 -9.861 5.248 -5.553 1.00 0.00 O ATOM 441 CB ALA A 28 -9.908 2.423 -7.297 1.00 0.00 C ATOM 0 H ALA A 28 -8.185 1.319 -5.957 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.397 3.910 -7.095 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.608 3.107 -7.777 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.359 1.871 -8.060 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.458 1.723 -6.668 1.00 0.00 H new ATOM 447 N LYS A 29 -9.958 3.391 -4.265 1.00 0.00 N ATOM 448 CA LYS A 29 -10.633 4.056 -3.164 1.00 0.00 C ATOM 449 C LYS A 29 -9.717 5.135 -2.585 1.00 0.00 C ATOM 450 O LYS A 29 -10.162 6.247 -2.303 1.00 0.00 O ATOM 451 CB LYS A 29 -11.107 3.033 -2.129 1.00 0.00 C ATOM 452 CG LYS A 29 -12.633 2.916 -2.132 1.00 0.00 C ATOM 453 CD LYS A 29 -13.116 2.024 -0.987 1.00 0.00 C ATOM 454 CE LYS A 29 -14.325 2.644 -0.283 1.00 0.00 C ATOM 455 NZ LYS A 29 -15.568 1.940 -0.670 1.00 0.00 N ATOM 0 H LYS A 29 -9.767 2.401 -4.113 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.533 4.558 -3.518 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -10.664 2.061 -2.344 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.763 3.328 -1.137 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -13.078 3.907 -2.038 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -12.968 2.505 -3.084 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.381 1.040 -1.374 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.308 1.877 -0.270 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.191 2.590 0.797 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.402 3.700 -0.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.378 2.374 -0.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.702 2.013 -1.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.498 0.938 -0.400 1.00 0.00 H new ATOM 469 N ILE A 30 -8.453 4.771 -2.427 1.00 0.00 N ATOM 470 CA ILE A 30 -7.470 5.695 -1.888 1.00 0.00 C ATOM 471 C ILE A 30 -7.320 6.885 -2.838 1.00 0.00 C ATOM 472 O ILE A 30 -7.071 8.006 -2.397 1.00 0.00 O ATOM 473 CB ILE A 30 -6.154 4.968 -1.599 1.00 0.00 C ATOM 474 CG1 ILE A 30 -6.379 3.774 -0.670 1.00 0.00 C ATOM 475 CG2 ILE A 30 -5.104 5.935 -1.047 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.297 2.711 -0.872 1.00 0.00 C ATOM 0 H ILE A 30 -8.087 3.849 -2.663 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.805 6.092 -0.930 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.767 4.575 -2.539 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.375 4.110 0.367 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.360 3.340 -0.861 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.179 5.394 -0.850 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.915 6.723 -1.777 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.469 6.378 -0.121 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.480 1.873 -0.200 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.320 2.360 -1.904 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.319 3.142 -0.657 1.00 0.00 H new ATOM 488 N GLN A 31 -7.479 6.601 -4.121 1.00 0.00 N ATOM 489 CA GLN A 31 -7.364 7.634 -5.137 1.00 0.00 C ATOM 490 C GLN A 31 -8.488 8.660 -4.978 1.00 0.00 C ATOM 491 O GLN A 31 -8.234 9.816 -4.637 1.00 0.00 O ATOM 492 CB GLN A 31 -7.372 7.027 -6.541 1.00 0.00 C ATOM 493 CG GLN A 31 -7.286 8.116 -7.611 1.00 0.00 C ATOM 494 CD GLN A 31 -8.194 7.792 -8.798 1.00 0.00 C ATOM 495 OE1 GLN A 31 -9.341 8.201 -8.867 1.00 0.00 O ATOM 496 NE2 GLN A 31 -7.619 7.033 -9.728 1.00 0.00 N ATOM 0 H GLN A 31 -7.687 5.670 -4.482 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.410 8.143 -5.003 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.533 6.340 -6.648 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.282 6.444 -6.683 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.572 9.076 -7.181 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.256 8.214 -7.953 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.654 6.724 -9.609 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.143 6.760 -10.560 1.00 0.00 H new ATOM 505 N ASP A 32 -9.705 8.203 -5.232 1.00 0.00 N ATOM 506 CA ASP A 32 -10.868 9.067 -5.121 1.00 0.00 C ATOM 507 C ASP A 32 -10.865 9.745 -3.750 1.00 0.00 C ATOM 508 O ASP A 32 -11.441 10.819 -3.584 1.00 0.00 O ATOM 509 CB ASP A 32 -12.164 8.265 -5.249 1.00 0.00 C ATOM 510 CG ASP A 32 -13.216 8.879 -6.175 1.00 0.00 C ATOM 511 OD1 ASP A 32 -13.898 9.819 -5.713 1.00 0.00 O ATOM 512 OD2 ASP A 32 -13.313 8.396 -7.323 1.00 0.00 O ATOM 0 H ASP A 32 -9.911 7.245 -5.515 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.819 9.803 -5.923 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.921 7.266 -5.612 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.600 8.147 -4.257 1.00 0.00 H new ATOM 517 N LYS A 33 -10.209 9.091 -2.802 1.00 0.00 N ATOM 518 CA LYS A 33 -10.125 9.617 -1.451 1.00 0.00 C ATOM 519 C LYS A 33 -9.128 10.778 -1.422 1.00 0.00 C ATOM 520 O LYS A 33 -9.525 11.941 -1.411 1.00 0.00 O ATOM 521 CB LYS A 33 -9.795 8.498 -0.460 1.00 0.00 C ATOM 522 CG LYS A 33 -11.071 7.902 0.138 1.00 0.00 C ATOM 523 CD LYS A 33 -11.221 8.290 1.609 1.00 0.00 C ATOM 524 CE LYS A 33 -12.405 9.239 1.808 1.00 0.00 C ATOM 525 NZ LYS A 33 -11.937 10.642 1.886 1.00 0.00 N ATOM 0 H LYS A 33 -9.731 8.201 -2.944 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.089 10.016 -1.136 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.226 7.717 -0.964 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.163 8.888 0.338 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.937 8.251 -0.424 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.047 6.816 0.045 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.363 7.394 2.213 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.305 8.767 1.958 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.109 9.130 0.983 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -12.940 8.976 2.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.753 11.273 2.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.283 10.746 2.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.447 10.894 1.004 1.00 0.00 H new ATOM 539 N GLU A 34 -7.852 10.420 -1.412 1.00 0.00 N ATOM 540 CA GLU A 34 -6.796 11.418 -1.385 1.00 0.00 C ATOM 541 C GLU A 34 -6.578 11.999 -2.784 1.00 0.00 C ATOM 542 O GLU A 34 -6.628 13.214 -2.969 1.00 0.00 O ATOM 543 CB GLU A 34 -5.498 10.827 -0.829 1.00 0.00 C ATOM 544 CG GLU A 34 -5.323 11.184 0.648 1.00 0.00 C ATOM 545 CD GLU A 34 -4.324 12.331 0.820 1.00 0.00 C ATOM 546 OE1 GLU A 34 -3.125 12.081 0.569 1.00 0.00 O ATOM 547 OE2 GLU A 34 -4.781 13.431 1.199 1.00 0.00 O ATOM 0 H GLU A 34 -7.526 9.454 -1.422 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.103 12.226 -0.721 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.508 9.743 -0.946 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.649 11.202 -1.401 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.285 11.468 1.074 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.977 10.309 1.199 1.00 0.00 H new ATOM 554 N GLY A 35 -6.341 11.103 -3.731 1.00 0.00 N ATOM 555 CA GLY A 35 -6.117 11.512 -5.107 1.00 0.00 C ATOM 556 C GLY A 35 -4.757 11.023 -5.609 1.00 0.00 C ATOM 557 O GLY A 35 -4.168 11.626 -6.505 1.00 0.00 O ATOM 0 H GLY A 35 -6.299 10.096 -3.573 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.908 11.113 -5.742 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.167 12.598 -5.180 1.00 0.00 H new ATOM 561 N ILE A 36 -4.298 9.934 -5.010 1.00 0.00 N ATOM 562 CA ILE A 36 -3.017 9.357 -5.385 1.00 0.00 C ATOM 563 C ILE A 36 -3.230 8.344 -6.512 1.00 0.00 C ATOM 564 O ILE A 36 -4.217 7.610 -6.513 1.00 0.00 O ATOM 565 CB ILE A 36 -2.313 8.774 -4.158 1.00 0.00 C ATOM 566 CG1 ILE A 36 -1.395 9.812 -3.508 1.00 0.00 C ATOM 567 CG2 ILE A 36 -1.563 7.490 -4.516 1.00 0.00 C ATOM 568 CD1 ILE A 36 -1.059 9.420 -2.068 1.00 0.00 C ATOM 0 H ILE A 36 -4.790 9.436 -4.268 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.349 10.127 -5.771 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.072 8.509 -3.422 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.476 9.904 -4.088 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.879 10.789 -3.520 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.071 7.096 -3.627 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.268 6.752 -4.898 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.815 7.706 -5.278 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.406 10.174 -1.629 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.978 9.352 -1.486 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.554 8.454 -2.062 1.00 0.00 H new ATOM 580 N PRO A 37 -2.263 8.336 -7.467 1.00 0.00 N ATOM 581 CA PRO A 37 -2.335 7.424 -8.597 1.00 0.00 C ATOM 582 C PRO A 37 -1.978 5.999 -8.175 1.00 0.00 C ATOM 583 O PRO A 37 -1.179 5.799 -7.261 1.00 0.00 O ATOM 584 CB PRO A 37 -1.375 7.998 -9.626 1.00 0.00 C ATOM 585 CG PRO A 37 -0.457 8.939 -8.862 1.00 0.00 C ATOM 586 CD PRO A 37 -1.079 9.190 -7.498 1.00 0.00 C ATOM 0 HA PRO A 37 -3.340 7.344 -9.011 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.805 7.206 -10.113 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.915 8.530 -10.409 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.535 8.501 -8.754 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.334 9.877 -9.404 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.387 8.937 -6.695 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.344 10.240 -7.371 1.00 0.00 H new ATOM 594 N PRO A 38 -2.603 5.016 -8.878 1.00 0.00 N ATOM 595 CA PRO A 38 -2.360 3.614 -8.586 1.00 0.00 C ATOM 596 C PRO A 38 -0.994 3.173 -9.117 1.00 0.00 C ATOM 597 O PRO A 38 -0.406 2.218 -8.611 1.00 0.00 O ATOM 598 CB PRO A 38 -3.516 2.871 -9.232 1.00 0.00 C ATOM 599 CG PRO A 38 -4.111 3.829 -10.251 1.00 0.00 C ATOM 600 CD PRO A 38 -3.556 5.215 -9.967 1.00 0.00 C ATOM 0 HA PRO A 38 -2.320 3.408 -7.516 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.172 1.955 -9.712 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.258 2.582 -8.488 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.856 3.516 -11.264 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.199 3.832 -10.182 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.069 5.635 -10.847 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.347 5.907 -9.679 1.00 0.00 H new ATOM 608 N ASP A 39 -0.529 3.889 -10.129 1.00 0.00 N ATOM 609 CA ASP A 39 0.756 3.583 -10.734 1.00 0.00 C ATOM 610 C ASP A 39 1.872 3.890 -9.734 1.00 0.00 C ATOM 611 O ASP A 39 2.870 3.173 -9.672 1.00 0.00 O ATOM 612 CB ASP A 39 0.994 4.435 -11.983 1.00 0.00 C ATOM 613 CG ASP A 39 -0.091 4.328 -13.055 1.00 0.00 C ATOM 614 OD1 ASP A 39 -1.266 4.569 -12.701 1.00 0.00 O ATOM 615 OD2 ASP A 39 0.276 4.005 -14.206 1.00 0.00 O ATOM 0 H ASP A 39 -1.019 4.681 -10.546 1.00 0.00 H new ATOM 0 HA ASP A 39 0.755 2.529 -11.011 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.083 5.478 -11.681 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.949 4.148 -12.424 1.00 0.00 H new ATOM 620 N GLN A 40 1.666 4.956 -8.974 1.00 0.00 N ATOM 621 CA GLN A 40 2.642 5.366 -7.979 1.00 0.00 C ATOM 622 C GLN A 40 2.260 4.817 -6.603 1.00 0.00 C ATOM 623 O GLN A 40 2.820 5.231 -5.588 1.00 0.00 O ATOM 624 CB GLN A 40 2.781 6.889 -7.942 1.00 0.00 C ATOM 625 CG GLN A 40 3.132 7.441 -9.326 1.00 0.00 C ATOM 626 CD GLN A 40 4.492 6.919 -9.796 1.00 0.00 C ATOM 627 OE1 GLN A 40 4.609 5.850 -10.371 1.00 0.00 O ATOM 628 NE2 GLN A 40 5.508 7.730 -9.519 1.00 0.00 N ATOM 0 H GLN A 40 0.837 5.548 -9.028 1.00 0.00 H new ATOM 0 HA GLN A 40 3.611 4.952 -8.258 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.849 7.335 -7.594 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.555 7.170 -7.227 1.00 0.00 H new ATOM 0 HG2 GLN A 40 2.361 7.155 -10.042 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.148 8.530 -9.294 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.339 8.612 -9.034 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.456 7.471 -9.791 1.00 0.00 H new ATOM 637 N GLN A 41 1.310 3.894 -6.613 1.00 0.00 N ATOM 638 CA GLN A 41 0.847 3.284 -5.378 1.00 0.00 C ATOM 639 C GLN A 41 1.625 1.996 -5.097 1.00 0.00 C ATOM 640 O GLN A 41 1.685 1.107 -5.944 1.00 0.00 O ATOM 641 CB GLN A 41 -0.659 3.015 -5.430 1.00 0.00 C ATOM 642 CG GLN A 41 -1.453 4.281 -5.107 1.00 0.00 C ATOM 643 CD GLN A 41 -2.083 4.192 -3.714 1.00 0.00 C ATOM 644 OE1 GLN A 41 -1.485 3.718 -2.763 1.00 0.00 O ATOM 645 NE2 GLN A 41 -3.321 4.673 -3.649 1.00 0.00 N ATOM 0 H GLN A 41 0.848 3.554 -7.456 1.00 0.00 H new ATOM 0 HA GLN A 41 1.030 3.981 -4.561 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.933 2.652 -6.421 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.916 2.229 -4.720 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.796 5.150 -5.158 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.233 4.426 -5.854 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.764 5.056 -4.484 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.828 4.659 -2.764 1.00 0.00 H new ATOM 654 N ARG A 42 2.201 1.939 -3.905 1.00 0.00 N ATOM 655 CA ARG A 42 2.972 0.776 -3.503 1.00 0.00 C ATOM 656 C ARG A 42 2.586 0.347 -2.086 1.00 0.00 C ATOM 657 O ARG A 42 3.083 0.903 -1.107 1.00 0.00 O ATOM 658 CB ARG A 42 4.474 1.067 -3.548 1.00 0.00 C ATOM 659 CG ARG A 42 5.231 -0.059 -4.254 1.00 0.00 C ATOM 660 CD ARG A 42 6.640 -0.216 -3.681 1.00 0.00 C ATOM 661 NE ARG A 42 7.296 -1.407 -4.267 1.00 0.00 N ATOM 662 CZ ARG A 42 8.564 -1.762 -4.023 1.00 0.00 C ATOM 663 NH1 ARG A 42 9.323 -1.019 -3.205 1.00 0.00 N ATOM 664 NH2 ARG A 42 9.075 -2.859 -4.598 1.00 0.00 N ATOM 0 H ARG A 42 2.149 2.679 -3.205 1.00 0.00 H new ATOM 0 HA ARG A 42 2.748 -0.028 -4.204 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.650 2.009 -4.067 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.855 1.186 -2.534 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.683 -0.995 -4.144 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.290 0.152 -5.322 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.229 0.676 -3.894 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.591 -0.314 -2.597 1.00 0.00 H new ATOM 0 HE ARG A 42 6.748 -1.994 -4.896 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.935 -0.183 -2.768 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.289 -1.290 -3.019 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.498 -3.424 -5.222 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.041 -3.129 -4.412 1.00 0.00 H new ATOM 678 N LEU A 43 1.702 -0.638 -2.020 1.00 0.00 N ATOM 679 CA LEU A 43 1.243 -1.148 -0.739 1.00 0.00 C ATOM 680 C LEU A 43 2.040 -2.404 -0.380 1.00 0.00 C ATOM 681 O LEU A 43 2.006 -3.394 -1.109 1.00 0.00 O ATOM 682 CB LEU A 43 -0.271 -1.365 -0.760 1.00 0.00 C ATOM 683 CG LEU A 43 -1.094 -0.284 -1.463 1.00 0.00 C ATOM 684 CD1 LEU A 43 -2.591 -0.492 -1.226 1.00 0.00 C ATOM 685 CD2 LEU A 43 -0.636 1.114 -1.043 1.00 0.00 C ATOM 0 H LEU A 43 1.291 -1.097 -2.833 1.00 0.00 H new ATOM 0 HA LEU A 43 1.426 -0.418 0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.474 -2.320 -1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.620 -1.448 0.269 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.924 -0.370 -2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.152 0.290 -1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.889 -1.466 -1.615 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.800 -0.449 -0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.237 1.864 -1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.757 1.228 0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.413 1.248 -1.306 1.00 0.00 H new ATOM 697 N ILE A 44 2.737 -2.322 0.744 1.00 0.00 N ATOM 698 CA ILE A 44 3.541 -3.440 1.208 1.00 0.00 C ATOM 699 C ILE A 44 2.870 -4.074 2.428 1.00 0.00 C ATOM 700 O ILE A 44 2.217 -3.384 3.211 1.00 0.00 O ATOM 701 CB ILE A 44 4.982 -2.995 1.463 1.00 0.00 C ATOM 702 CG1 ILE A 44 5.678 -2.616 0.153 1.00 0.00 C ATOM 703 CG2 ILE A 44 5.759 -4.064 2.235 1.00 0.00 C ATOM 704 CD1 ILE A 44 5.987 -1.118 0.111 1.00 0.00 C ATOM 0 H ILE A 44 2.762 -1.499 1.347 1.00 0.00 H new ATOM 0 HA ILE A 44 3.600 -4.210 0.439 1.00 0.00 H new ATOM 0 HB ILE A 44 4.958 -2.101 2.087 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.602 -3.185 0.050 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.043 -2.884 -0.691 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.780 -3.722 2.403 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.275 -4.244 3.195 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.776 -4.989 1.658 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.481 -0.875 -0.830 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.058 -0.553 0.190 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.642 -0.858 0.943 1.00 0.00 H new ATOM 716 N PHE A 45 3.051 -5.381 2.552 1.00 0.00 N ATOM 717 CA PHE A 45 2.470 -6.115 3.663 1.00 0.00 C ATOM 718 C PHE A 45 3.298 -7.359 3.990 1.00 0.00 C ATOM 719 O PHE A 45 3.260 -8.345 3.257 1.00 0.00 O ATOM 720 CB PHE A 45 1.069 -6.550 3.228 1.00 0.00 C ATOM 721 CG PHE A 45 0.108 -6.806 4.391 1.00 0.00 C ATOM 722 CD1 PHE A 45 0.507 -7.563 5.448 1.00 0.00 C ATOM 723 CD2 PHE A 45 -1.144 -6.278 4.368 1.00 0.00 C ATOM 724 CE1 PHE A 45 -0.385 -7.802 6.527 1.00 0.00 C ATOM 725 CE2 PHE A 45 -2.037 -6.516 5.447 1.00 0.00 C ATOM 726 CZ PHE A 45 -1.637 -7.272 6.504 1.00 0.00 C ATOM 0 H PHE A 45 3.592 -5.950 1.901 1.00 0.00 H new ATOM 0 HA PHE A 45 2.443 -5.485 4.552 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.645 -5.781 2.582 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.151 -7.458 2.631 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.502 -7.982 5.467 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.460 -5.677 3.529 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.069 -8.405 7.366 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.032 -6.097 5.428 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.314 -7.452 7.326 1.00 0.00 H new ATOM 736 N ALA A 46 4.027 -7.271 5.094 1.00 0.00 N ATOM 737 CA ALA A 46 4.863 -8.377 5.528 1.00 0.00 C ATOM 738 C ALA A 46 5.809 -8.773 4.392 1.00 0.00 C ATOM 739 O ALA A 46 5.947 -9.954 4.077 1.00 0.00 O ATOM 740 CB ALA A 46 3.978 -9.540 5.980 1.00 0.00 C ATOM 0 H ALA A 46 4.056 -6.451 5.700 1.00 0.00 H new ATOM 0 HA ALA A 46 5.476 -8.082 6.380 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.606 -10.370 6.306 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.346 -9.216 6.807 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.351 -9.864 5.150 1.00 0.00 H new ATOM 746 N GLY A 47 6.436 -7.762 3.807 1.00 0.00 N ATOM 747 CA GLY A 47 7.364 -7.989 2.712 1.00 0.00 C ATOM 748 C GLY A 47 6.633 -8.509 1.472 1.00 0.00 C ATOM 749 O GLY A 47 7.266 -8.911 0.498 1.00 0.00 O ATOM 0 H GLY A 47 6.319 -6.784 4.071 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.881 -7.060 2.471 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.124 -8.707 3.018 1.00 0.00 H new ATOM 753 N LYS A 48 5.311 -8.484 1.550 1.00 0.00 N ATOM 754 CA LYS A 48 4.487 -8.948 0.447 1.00 0.00 C ATOM 755 C LYS A 48 3.825 -7.746 -0.230 1.00 0.00 C ATOM 756 O LYS A 48 2.992 -7.071 0.373 1.00 0.00 O ATOM 757 CB LYS A 48 3.494 -10.008 0.928 1.00 0.00 C ATOM 758 CG LYS A 48 3.283 -11.086 -0.136 1.00 0.00 C ATOM 759 CD LYS A 48 2.987 -12.442 0.508 1.00 0.00 C ATOM 760 CE LYS A 48 1.525 -12.839 0.299 1.00 0.00 C ATOM 761 NZ LYS A 48 1.294 -14.227 0.762 1.00 0.00 N ATOM 0 H LYS A 48 4.790 -8.149 2.360 1.00 0.00 H new ATOM 0 HA LYS A 48 5.102 -9.440 -0.307 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.862 -10.466 1.846 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.541 -9.536 1.167 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.457 -10.801 -0.788 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.172 -11.163 -0.762 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.639 -13.203 0.079 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.207 -12.398 1.575 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.875 -12.155 0.844 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.266 -12.753 -0.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.297 -14.481 0.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.901 -14.878 0.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.522 -14.298 1.774 1.00 0.00 H new ATOM 775 N GLN A 49 4.220 -7.517 -1.473 1.00 0.00 N ATOM 776 CA GLN A 49 3.674 -6.408 -2.238 1.00 0.00 C ATOM 777 C GLN A 49 2.310 -6.784 -2.821 1.00 0.00 C ATOM 778 O GLN A 49 2.174 -7.820 -3.471 1.00 0.00 O ATOM 779 CB GLN A 49 4.642 -5.975 -3.343 1.00 0.00 C ATOM 780 CG GLN A 49 4.947 -7.137 -4.291 1.00 0.00 C ATOM 781 CD GLN A 49 6.453 -7.279 -4.519 1.00 0.00 C ATOM 782 OE1 GLN A 49 7.222 -6.346 -4.353 1.00 0.00 O ATOM 783 NE2 GLN A 49 6.830 -8.493 -4.907 1.00 0.00 N ATOM 0 H GLN A 49 4.911 -8.079 -1.970 1.00 0.00 H new ATOM 0 HA GLN A 49 3.538 -5.561 -1.566 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.211 -5.146 -3.905 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.568 -5.611 -2.898 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.550 -8.063 -3.876 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.445 -6.974 -5.245 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.134 -9.229 -5.027 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.815 -8.689 -5.085 1.00 0.00 H new ATOM 792 N LEU A 50 1.336 -5.923 -2.567 1.00 0.00 N ATOM 793 CA LEU A 50 -0.012 -6.153 -3.057 1.00 0.00 C ATOM 794 C LEU A 50 -0.076 -5.797 -4.544 1.00 0.00 C ATOM 795 O LEU A 50 0.048 -4.629 -4.913 1.00 0.00 O ATOM 796 CB LEU A 50 -1.029 -5.399 -2.200 1.00 0.00 C ATOM 797 CG LEU A 50 -0.744 -5.360 -0.697 1.00 0.00 C ATOM 798 CD1 LEU A 50 -1.891 -4.692 0.062 1.00 0.00 C ATOM 799 CD2 LEU A 50 -0.440 -6.761 -0.162 1.00 0.00 C ATOM 0 H LEU A 50 1.454 -5.065 -2.028 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.275 -7.207 -2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.092 -4.374 -2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.009 -5.852 -2.352 1.00 0.00 H new ATOM 0 HG LEU A 50 0.146 -4.752 -0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.662 -4.678 1.128 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.018 -3.670 -0.296 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.812 -5.251 -0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.241 -6.706 0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.296 -7.412 -0.339 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.434 -7.164 -0.674 1.00 0.00 H new ATOM 811 N GLU A 51 -0.270 -6.824 -5.358 1.00 0.00 N ATOM 812 CA GLU A 51 -0.352 -6.633 -6.797 1.00 0.00 C ATOM 813 C GLU A 51 -1.785 -6.284 -7.205 1.00 0.00 C ATOM 814 O GLU A 51 -2.698 -7.089 -7.030 1.00 0.00 O ATOM 815 CB GLU A 51 0.144 -7.874 -7.543 1.00 0.00 C ATOM 816 CG GLU A 51 1.519 -8.308 -7.033 1.00 0.00 C ATOM 817 CD GLU A 51 1.464 -9.716 -6.437 1.00 0.00 C ATOM 818 OE1 GLU A 51 0.795 -9.863 -5.392 1.00 0.00 O ATOM 819 OE2 GLU A 51 2.092 -10.613 -7.040 1.00 0.00 O ATOM 0 H GLU A 51 -0.373 -7.791 -5.049 1.00 0.00 H new ATOM 0 HA GLU A 51 0.296 -5.801 -7.072 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.569 -8.689 -7.415 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.198 -7.663 -8.611 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.239 -8.284 -7.851 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.870 -7.604 -6.279 1.00 0.00 H new ATOM 826 N ASP A 52 -1.936 -5.082 -7.741 1.00 0.00 N ATOM 827 CA ASP A 52 -3.243 -4.616 -8.175 1.00 0.00 C ATOM 828 C ASP A 52 -3.919 -5.709 -9.005 1.00 0.00 C ATOM 829 O ASP A 52 -3.561 -5.925 -10.162 1.00 0.00 O ATOM 830 CB ASP A 52 -3.118 -3.366 -9.049 1.00 0.00 C ATOM 831 CG ASP A 52 -2.096 -3.469 -10.183 1.00 0.00 C ATOM 832 OD1 ASP A 52 -0.891 -3.510 -9.858 1.00 0.00 O ATOM 833 OD2 ASP A 52 -2.545 -3.503 -11.349 1.00 0.00 O ATOM 0 H ASP A 52 -1.176 -4.417 -7.885 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.830 -4.378 -7.288 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.094 -3.143 -9.479 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.849 -2.522 -8.414 1.00 0.00 H new ATOM 838 N GLY A 53 -4.884 -6.368 -8.383 1.00 0.00 N ATOM 839 CA GLY A 53 -5.615 -7.433 -9.050 1.00 0.00 C ATOM 840 C GLY A 53 -5.937 -8.569 -8.078 1.00 0.00 C ATOM 841 O GLY A 53 -6.765 -9.429 -8.375 1.00 0.00 O ATOM 0 H GLY A 53 -5.178 -6.186 -7.423 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.539 -7.037 -9.471 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.025 -7.818 -9.882 1.00 0.00 H new ATOM 845 N ARG A 54 -5.267 -8.536 -6.935 1.00 0.00 N ATOM 846 CA ARG A 54 -5.472 -9.552 -5.918 1.00 0.00 C ATOM 847 C ARG A 54 -6.464 -9.055 -4.863 1.00 0.00 C ATOM 848 O ARG A 54 -6.663 -7.851 -4.712 1.00 0.00 O ATOM 849 CB ARG A 54 -4.155 -9.921 -5.234 1.00 0.00 C ATOM 850 CG ARG A 54 -3.403 -10.990 -6.030 1.00 0.00 C ATOM 851 CD ARG A 54 -2.405 -11.736 -5.142 1.00 0.00 C ATOM 852 NE ARG A 54 -1.118 -11.898 -5.853 1.00 0.00 N ATOM 853 CZ ARG A 54 -0.075 -12.586 -5.371 1.00 0.00 C ATOM 854 NH1 ARG A 54 -0.161 -13.180 -4.173 1.00 0.00 N ATOM 855 NH2 ARG A 54 1.055 -12.680 -6.086 1.00 0.00 N ATOM 0 H ARG A 54 -4.582 -7.821 -6.691 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.873 -10.438 -6.411 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.532 -9.032 -5.134 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.354 -10.286 -4.226 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.114 -11.697 -6.457 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.876 -10.525 -6.863 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.250 -11.186 -4.213 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.806 -12.713 -4.871 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.019 -11.458 -6.768 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.021 -13.108 -3.629 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.633 -13.704 -3.805 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.121 -12.227 -6.998 1.00 0.00 H new ATOM 0 HH22 ARG A 54 1.849 -13.204 -5.718 1.00 0.00 H new ATOM 869 N THR A 55 -7.060 -10.008 -4.162 1.00 0.00 N ATOM 870 CA THR A 55 -8.026 -9.682 -3.127 1.00 0.00 C ATOM 871 C THR A 55 -7.366 -9.729 -1.747 1.00 0.00 C ATOM 872 O THR A 55 -6.461 -10.528 -1.516 1.00 0.00 O ATOM 873 CB THR A 55 -9.211 -10.641 -3.267 1.00 0.00 C ATOM 874 OG1 THR A 55 -8.627 -11.934 -3.139 1.00 0.00 O ATOM 875 CG2 THR A 55 -9.804 -10.638 -4.678 1.00 0.00 C ATOM 0 H THR A 55 -6.893 -11.006 -4.290 1.00 0.00 H new ATOM 0 HA THR A 55 -8.398 -8.664 -3.240 1.00 0.00 H new ATOM 0 HB THR A 55 -9.984 -10.370 -2.548 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.325 -12.617 -3.216 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.641 -11.335 -4.722 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.153 -9.635 -4.924 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.041 -10.942 -5.394 1.00 0.00 H new ATOM 883 N LEU A 56 -7.847 -8.863 -0.867 1.00 0.00 N ATOM 884 CA LEU A 56 -7.315 -8.796 0.483 1.00 0.00 C ATOM 885 C LEU A 56 -7.487 -10.156 1.162 1.00 0.00 C ATOM 886 O LEU A 56 -6.658 -10.554 1.980 1.00 0.00 O ATOM 887 CB LEU A 56 -7.954 -7.638 1.254 1.00 0.00 C ATOM 888 CG LEU A 56 -7.852 -6.259 0.599 1.00 0.00 C ATOM 889 CD1 LEU A 56 -8.996 -5.351 1.054 1.00 0.00 C ATOM 890 CD2 LEU A 56 -6.482 -5.629 0.856 1.00 0.00 C ATOM 0 H LEU A 56 -8.599 -8.202 -1.063 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.246 -8.583 0.461 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -9.008 -7.868 1.408 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.492 -7.585 2.240 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.950 -6.385 -0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.900 -4.377 0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.950 -5.800 0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.954 -5.228 2.136 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.437 -4.650 0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.328 -5.518 1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.703 -6.270 0.443 1.00 0.00 H new ATOM 902 N SER A 57 -8.566 -10.832 0.799 1.00 0.00 N ATOM 903 CA SER A 57 -8.857 -12.138 1.363 1.00 0.00 C ATOM 904 C SER A 57 -7.747 -13.125 0.994 1.00 0.00 C ATOM 905 O SER A 57 -7.261 -13.865 1.849 1.00 0.00 O ATOM 906 CB SER A 57 -10.212 -12.659 0.879 1.00 0.00 C ATOM 907 OG SER A 57 -10.505 -13.951 1.401 1.00 0.00 O ATOM 0 H SER A 57 -9.250 -10.499 0.120 1.00 0.00 H new ATOM 0 HA SER A 57 -8.903 -12.039 2.448 1.00 0.00 H new ATOM 0 HB2 SER A 57 -10.995 -11.962 1.176 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.217 -12.699 -0.210 1.00 0.00 H new ATOM 0 HG SER A 57 -11.379 -14.247 1.070 1.00 0.00 H new ATOM 913 N ASP A 58 -7.381 -13.107 -0.279 1.00 0.00 N ATOM 914 CA ASP A 58 -6.338 -13.990 -0.771 1.00 0.00 C ATOM 915 C ASP A 58 -5.019 -13.655 -0.072 1.00 0.00 C ATOM 916 O ASP A 58 -4.079 -14.448 -0.098 1.00 0.00 O ATOM 917 CB ASP A 58 -6.133 -13.815 -2.277 1.00 0.00 C ATOM 918 CG ASP A 58 -5.789 -15.098 -3.036 1.00 0.00 C ATOM 919 OD1 ASP A 58 -5.911 -16.176 -2.414 1.00 0.00 O ATOM 920 OD2 ASP A 58 -5.411 -14.973 -4.221 1.00 0.00 O ATOM 0 H ASP A 58 -7.789 -12.494 -0.985 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.641 -15.017 -0.565 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.041 -13.390 -2.705 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.335 -13.090 -2.438 1.00 0.00 H new ATOM 925 N TYR A 59 -4.991 -12.478 0.537 1.00 0.00 N ATOM 926 CA TYR A 59 -3.803 -12.028 1.241 1.00 0.00 C ATOM 927 C TYR A 59 -3.924 -12.291 2.743 1.00 0.00 C ATOM 928 O TYR A 59 -2.924 -12.290 3.460 1.00 0.00 O ATOM 929 CB TYR A 59 -3.719 -10.519 1.005 1.00 0.00 C ATOM 930 CG TYR A 59 -3.015 -10.132 -0.297 1.00 0.00 C ATOM 931 CD1 TYR A 59 -1.745 -10.602 -0.561 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.651 -9.312 -1.208 1.00 0.00 C ATOM 933 CE1 TYR A 59 -1.082 -10.236 -1.786 1.00 0.00 C ATOM 934 CE2 TYR A 59 -2.989 -8.947 -2.433 1.00 0.00 C ATOM 935 CZ TYR A 59 -1.737 -9.427 -2.662 1.00 0.00 C ATOM 936 OH TYR A 59 -1.111 -9.083 -3.819 1.00 0.00 O ATOM 0 H TYR A 59 -5.772 -11.823 0.557 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.920 -12.557 0.882 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.728 -10.106 0.998 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.193 -10.059 1.841 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.248 -11.244 0.151 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.645 -8.944 -1.001 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.087 -10.596 -2.004 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.475 -8.307 -3.154 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.384 -9.715 -3.998 1.00 0.00 H new ATOM 946 N ASN A 60 -5.157 -12.511 3.176 1.00 0.00 N ATOM 947 CA ASN A 60 -5.422 -12.775 4.580 1.00 0.00 C ATOM 948 C ASN A 60 -5.016 -11.555 5.409 1.00 0.00 C ATOM 949 O ASN A 60 -4.081 -11.624 6.205 1.00 0.00 O ATOM 950 CB ASN A 60 -4.612 -13.974 5.077 1.00 0.00 C ATOM 951 CG ASN A 60 -5.224 -14.558 6.352 1.00 0.00 C ATOM 952 OD1 ASN A 60 -6.014 -13.930 7.037 1.00 0.00 O ATOM 953 ND2 ASN A 60 -4.814 -15.792 6.633 1.00 0.00 N ATOM 0 H ASN A 60 -5.984 -12.512 2.579 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.486 -12.988 4.688 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.577 -14.740 4.302 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.584 -13.668 5.270 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.163 -16.269 7.464 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.150 -16.262 6.017 1.00 0.00 H new ATOM 960 N ILE A 61 -5.741 -10.467 5.194 1.00 0.00 N ATOM 961 CA ILE A 61 -5.468 -9.233 5.912 1.00 0.00 C ATOM 962 C ILE A 61 -6.265 -9.221 7.218 1.00 0.00 C ATOM 963 O ILE A 61 -7.404 -9.683 7.259 1.00 0.00 O ATOM 964 CB ILE A 61 -5.738 -8.022 5.016 1.00 0.00 C ATOM 965 CG1 ILE A 61 -4.525 -7.708 4.139 1.00 0.00 C ATOM 966 CG2 ILE A 61 -6.174 -6.813 5.846 1.00 0.00 C ATOM 967 CD1 ILE A 61 -4.675 -8.335 2.752 1.00 0.00 C ATOM 0 H ILE A 61 -6.516 -10.414 4.534 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.413 -9.174 6.181 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.563 -8.268 4.348 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.410 -6.628 4.044 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.620 -8.084 4.616 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.360 -5.966 5.185 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -7.087 -7.055 6.390 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.387 -6.555 6.554 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.799 -8.097 2.148 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.765 -9.417 2.850 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.568 -7.939 2.268 1.00 0.00 H new ATOM 979 N GLN A 62 -5.633 -8.689 8.255 1.00 0.00 N ATOM 980 CA GLN A 62 -6.268 -8.612 9.559 1.00 0.00 C ATOM 981 C GLN A 62 -6.935 -7.247 9.745 1.00 0.00 C ATOM 982 O GLN A 62 -6.523 -6.262 9.132 1.00 0.00 O ATOM 983 CB GLN A 62 -5.261 -8.887 10.677 1.00 0.00 C ATOM 984 CG GLN A 62 -4.266 -9.973 10.263 1.00 0.00 C ATOM 985 CD GLN A 62 -4.934 -11.350 10.247 1.00 0.00 C ATOM 986 OE1 GLN A 62 -6.118 -11.497 10.499 1.00 0.00 O ATOM 987 NE2 GLN A 62 -4.110 -12.347 9.938 1.00 0.00 N ATOM 0 H GLN A 62 -4.688 -8.307 8.218 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.038 -9.381 9.612 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.724 -7.970 10.921 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.789 -9.197 11.579 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.866 -9.747 9.275 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.423 -9.982 10.954 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.129 -12.154 9.738 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.459 -13.305 9.901 1.00 0.00 H new ATOM 996 N LYS A 63 -7.952 -7.231 10.592 1.00 0.00 N ATOM 997 CA LYS A 63 -8.680 -6.003 10.867 1.00 0.00 C ATOM 998 C LYS A 63 -7.685 -4.894 11.213 1.00 0.00 C ATOM 999 O LYS A 63 -6.873 -5.046 12.124 1.00 0.00 O ATOM 1000 CB LYS A 63 -9.740 -6.238 11.945 1.00 0.00 C ATOM 1001 CG LYS A 63 -9.191 -7.114 13.072 1.00 0.00 C ATOM 1002 CD LYS A 63 -9.956 -8.436 13.160 1.00 0.00 C ATOM 1003 CE LYS A 63 -9.453 -9.283 14.330 1.00 0.00 C ATOM 1004 NZ LYS A 63 -10.316 -10.470 14.521 1.00 0.00 N ATOM 0 H LYS A 63 -8.290 -8.049 11.098 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.227 -5.677 9.982 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.069 -5.281 12.351 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.615 -6.715 11.502 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.133 -7.313 12.901 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.266 -6.582 14.021 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.021 -8.237 13.282 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.840 -8.990 12.229 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.427 -9.599 14.143 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.441 -8.685 15.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.960 -11.033 15.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.289 -10.163 14.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.306 -11.049 13.657 1.00 0.00 H new ATOM 1018 N GLU A 64 -7.782 -3.802 10.468 1.00 0.00 N ATOM 1019 CA GLU A 64 -6.901 -2.667 10.685 1.00 0.00 C ATOM 1020 C GLU A 64 -5.438 -3.109 10.608 1.00 0.00 C ATOM 1021 O GLU A 64 -4.649 -2.814 11.504 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.199 -1.991 12.025 1.00 0.00 C ATOM 1023 CG GLU A 64 -8.701 -1.758 12.200 1.00 0.00 C ATOM 1024 CD GLU A 64 -9.101 -1.839 13.675 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -8.498 -1.083 14.468 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -9.998 -2.655 13.975 1.00 0.00 O ATOM 0 H GLU A 64 -8.457 -3.679 9.713 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.082 -1.935 9.898 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.826 -2.611 12.840 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.671 -1.039 12.082 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.970 -0.780 11.800 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.257 -2.501 11.628 1.00 0.00 H new ATOM 1033 N SER A 65 -5.121 -3.808 9.528 1.00 0.00 N ATOM 1034 CA SER A 65 -3.767 -4.292 9.321 1.00 0.00 C ATOM 1035 C SER A 65 -2.816 -3.113 9.103 1.00 0.00 C ATOM 1036 O SER A 65 -3.259 -1.988 8.878 1.00 0.00 O ATOM 1037 CB SER A 65 -3.701 -5.254 8.133 1.00 0.00 C ATOM 1038 OG SER A 65 -4.204 -6.546 8.464 1.00 0.00 O ATOM 0 H SER A 65 -5.779 -4.051 8.787 1.00 0.00 H new ATOM 0 HA SER A 65 -3.460 -4.838 10.213 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.274 -4.844 7.302 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.669 -5.342 7.795 1.00 0.00 H new ATOM 0 HG SER A 65 -5.182 -6.511 8.523 1.00 0.00 H new ATOM 1044 N THR A 66 -1.528 -3.411 9.175 1.00 0.00 N ATOM 1045 CA THR A 66 -0.511 -2.391 8.988 1.00 0.00 C ATOM 1046 C THR A 66 0.100 -2.496 7.589 1.00 0.00 C ATOM 1047 O THR A 66 0.953 -3.348 7.344 1.00 0.00 O ATOM 1048 CB THR A 66 0.517 -2.534 10.112 1.00 0.00 C ATOM 1049 OG1 THR A 66 -0.105 -1.911 11.233 1.00 0.00 O ATOM 1050 CG2 THR A 66 1.773 -1.695 9.868 1.00 0.00 C ATOM 0 H THR A 66 -1.165 -4.346 9.361 1.00 0.00 H new ATOM 0 HA THR A 66 -0.940 -1.391 9.047 1.00 0.00 H new ATOM 0 HB THR A 66 0.796 -3.582 10.217 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.493 -1.960 12.008 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.469 -1.833 10.695 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.247 -2.011 8.938 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.499 -0.642 9.796 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.362 -1.620 6.709 1.00 0.00 N ATOM 1059 CA LEU A 67 0.129 -1.605 5.341 1.00 0.00 C ATOM 1060 C LEU A 67 0.988 -0.357 5.126 1.00 0.00 C ATOM 1061 O LEU A 67 0.751 0.678 5.747 1.00 0.00 O ATOM 1062 CB LEU A 67 -1.033 -1.729 4.354 1.00 0.00 C ATOM 1063 CG LEU A 67 -1.719 -3.095 4.293 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -2.592 -3.327 5.527 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.510 -3.255 2.993 1.00 0.00 C ATOM 0 H LEU A 67 -1.070 -0.916 6.916 1.00 0.00 H new ATOM 0 HA LEU A 67 0.768 -2.468 5.156 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.782 -0.980 4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.665 -1.485 3.358 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.947 -3.864 4.296 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.068 -4.305 5.457 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.973 -3.287 6.423 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.359 -2.554 5.581 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.987 -4.235 2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.273 -2.479 2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.834 -3.166 2.143 1.00 0.00 H new ATOM 1077 N HIS A 68 1.967 -0.497 4.245 1.00 0.00 N ATOM 1078 CA HIS A 68 2.863 0.606 3.940 1.00 0.00 C ATOM 1079 C HIS A 68 2.538 1.164 2.554 1.00 0.00 C ATOM 1080 O HIS A 68 2.739 0.487 1.545 1.00 0.00 O ATOM 1081 CB HIS A 68 4.324 0.174 4.078 1.00 0.00 C ATOM 1082 CG HIS A 68 5.074 0.882 5.180 1.00 0.00 C ATOM 1083 ND1 HIS A 68 6.455 0.893 5.260 1.00 0.00 N ATOM 1084 CD2 HIS A 68 4.621 1.603 6.246 1.00 0.00 C ATOM 1085 CE1 HIS A 68 6.807 1.592 6.330 1.00 0.00 C ATOM 1086 NE2 HIS A 68 5.668 2.030 6.939 1.00 0.00 N ATOM 0 H HIS A 68 2.160 -1.357 3.732 1.00 0.00 H new ATOM 0 HA HIS A 68 2.713 1.410 4.661 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.358 -0.900 4.261 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.835 0.352 3.132 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.585 1.794 6.485 1.00 0.00 H new ATOM 0 HE1 HIS A 68 7.817 1.781 6.661 1.00 0.00 H new ATOM 0 HE2 HIS A 68 5.628 2.594 7.788 1.00 0.00 H new ATOM 1094 N LEU A 69 2.039 2.391 2.546 1.00 0.00 N ATOM 1095 CA LEU A 69 1.684 3.048 1.300 1.00 0.00 C ATOM 1096 C LEU A 69 2.852 3.921 0.837 1.00 0.00 C ATOM 1097 O LEU A 69 2.935 5.094 1.200 1.00 0.00 O ATOM 1098 CB LEU A 69 0.367 3.812 1.452 1.00 0.00 C ATOM 1099 CG LEU A 69 0.161 4.990 0.500 1.00 0.00 C ATOM 1100 CD1 LEU A 69 0.441 4.581 -0.948 1.00 0.00 C ATOM 1101 CD2 LEU A 69 -1.236 5.592 0.666 1.00 0.00 C ATOM 0 H LEU A 69 1.872 2.948 3.384 1.00 0.00 H new ATOM 0 HA LEU A 69 1.508 2.310 0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.455 3.110 1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.301 4.182 2.475 1.00 0.00 H new ATOM 0 HG LEU A 69 0.879 5.768 0.759 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.287 5.438 -1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.472 4.237 -1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.236 3.777 -1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.356 6.428 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.987 4.833 0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.361 5.945 1.690 1.00 0.00 H new ATOM 1113 N VAL A 70 3.724 3.317 0.043 1.00 0.00 N ATOM 1114 CA VAL A 70 4.882 4.025 -0.472 1.00 0.00 C ATOM 1115 C VAL A 70 4.756 4.162 -1.991 1.00 0.00 C ATOM 1116 O VAL A 70 3.815 3.643 -2.589 1.00 0.00 O ATOM 1117 CB VAL A 70 6.166 3.313 -0.041 1.00 0.00 C ATOM 1118 CG1 VAL A 70 6.374 2.025 -0.840 1.00 0.00 C ATOM 1119 CG2 VAL A 70 7.376 4.241 -0.169 1.00 0.00 C ATOM 0 H VAL A 70 3.651 2.345 -0.256 1.00 0.00 H new ATOM 0 HA VAL A 70 4.930 5.032 -0.057 1.00 0.00 H new ATOM 0 HB VAL A 70 6.062 3.041 1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.293 1.539 -0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.531 1.354 -0.675 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.446 2.263 -1.901 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.276 3.711 0.143 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.483 4.558 -1.206 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.232 5.116 0.465 1.00 0.00 H new ATOM 1129 N LEU A 71 5.719 4.864 -2.572 1.00 0.00 N ATOM 1130 CA LEU A 71 5.728 5.075 -4.009 1.00 0.00 C ATOM 1131 C LEU A 71 6.441 3.905 -4.688 1.00 0.00 C ATOM 1132 O LEU A 71 7.330 3.289 -4.101 1.00 0.00 O ATOM 1133 CB LEU A 71 6.331 6.441 -4.346 1.00 0.00 C ATOM 1134 CG LEU A 71 7.788 6.652 -3.930 1.00 0.00 C ATOM 1135 CD1 LEU A 71 8.625 7.160 -5.106 1.00 0.00 C ATOM 1136 CD2 LEU A 71 7.884 7.579 -2.717 1.00 0.00 C ATOM 0 H LEU A 71 6.498 5.293 -2.073 1.00 0.00 H new ATOM 0 HA LEU A 71 4.710 5.096 -4.397 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.256 6.594 -5.423 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.723 7.211 -3.871 1.00 0.00 H new ATOM 0 HG LEU A 71 8.201 5.688 -3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.657 7.302 -4.784 1.00 0.00 H new ATOM 0 HD12 LEU A 71 8.595 6.431 -5.916 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.221 8.109 -5.457 1.00 0.00 H new ATOM 0 HD21 LEU A 71 8.930 7.712 -2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.448 8.547 -2.963 1.00 0.00 H new ATOM 0 HD23 LEU A 71 7.342 7.140 -1.879 1.00 0.00 H new ATOM 1148 N ARG A 72 6.024 3.631 -5.916 1.00 0.00 N ATOM 1149 CA ARG A 72 6.612 2.544 -6.681 1.00 0.00 C ATOM 1150 C ARG A 72 7.758 3.066 -7.549 1.00 0.00 C ATOM 1151 O ARG A 72 7.918 4.275 -7.712 1.00 0.00 O ATOM 1152 CB ARG A 72 5.568 1.874 -7.576 1.00 0.00 C ATOM 1153 CG ARG A 72 6.080 0.534 -8.107 1.00 0.00 C ATOM 1154 CD ARG A 72 4.920 -0.360 -8.552 1.00 0.00 C ATOM 1155 NE ARG A 72 4.631 -1.370 -7.510 1.00 0.00 N ATOM 1156 CZ ARG A 72 5.299 -2.523 -7.375 1.00 0.00 C ATOM 1157 NH1 ARG A 72 6.300 -2.821 -8.216 1.00 0.00 N ATOM 1158 NH2 ARG A 72 4.967 -3.380 -6.399 1.00 0.00 N ATOM 0 H ARG A 72 5.286 4.143 -6.400 1.00 0.00 H new ATOM 0 HA ARG A 72 6.994 1.808 -5.973 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.647 1.718 -7.013 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.324 2.531 -8.411 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.754 0.705 -8.946 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.657 0.028 -7.333 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.034 0.246 -8.738 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.171 -0.855 -9.490 1.00 0.00 H new ATOM 0 HE ARG A 72 3.875 -1.176 -6.853 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.553 -2.169 -8.959 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.808 -3.699 -8.113 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.206 -3.154 -5.759 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.476 -4.258 -6.296 1.00 0.00 H new ATOM 1172 N LEU A 73 8.527 2.129 -8.084 1.00 0.00 N ATOM 1173 CA LEU A 73 9.654 2.479 -8.933 1.00 0.00 C ATOM 1174 C LEU A 73 9.143 2.840 -10.329 1.00 0.00 C ATOM 1175 O LEU A 73 9.261 3.987 -10.760 1.00 0.00 O ATOM 1176 CB LEU A 73 10.695 1.359 -8.930 1.00 0.00 C ATOM 1177 CG LEU A 73 11.919 1.582 -8.040 1.00 0.00 C ATOM 1178 CD1 LEU A 73 12.335 0.287 -7.341 1.00 0.00 C ATOM 1179 CD2 LEU A 73 13.071 2.198 -8.838 1.00 0.00 C ATOM 0 H LEU A 73 8.392 1.127 -7.946 1.00 0.00 H new ATOM 0 HA LEU A 73 10.165 3.359 -8.543 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.206 0.437 -8.617 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.038 1.206 -9.953 1.00 0.00 H new ATOM 0 HG LEU A 73 11.648 2.294 -7.260 1.00 0.00 H new ATOM 0 HD11 LEU A 73 13.207 0.475 -6.715 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.514 -0.071 -6.720 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.581 -0.467 -8.089 1.00 0.00 H new ATOM 0 HD21 LEU A 73 13.929 2.347 -8.183 1.00 0.00 H new ATOM 0 HD22 LEU A 73 13.348 1.529 -9.653 1.00 0.00 H new ATOM 0 HD23 LEU A 73 12.757 3.158 -9.248 1.00 0.00 H new ATOM 1191 N ARG A 74 8.587 1.840 -10.997 1.00 0.00 N ATOM 1192 CA ARG A 74 8.058 2.039 -12.336 1.00 0.00 C ATOM 1193 C ARG A 74 6.584 2.444 -12.271 1.00 0.00 C ATOM 1194 O ARG A 74 6.148 3.055 -11.296 1.00 0.00 O ATOM 1195 CB ARG A 74 8.193 0.767 -13.175 1.00 0.00 C ATOM 1196 CG ARG A 74 8.617 1.098 -14.608 1.00 0.00 C ATOM 1197 CD ARG A 74 8.694 -0.169 -15.464 1.00 0.00 C ATOM 1198 NE ARG A 74 9.856 -0.090 -16.378 1.00 0.00 N ATOM 1199 CZ ARG A 74 10.276 -1.105 -17.146 1.00 0.00 C ATOM 1200 NH1 ARG A 74 9.634 -2.280 -17.114 1.00 0.00 N ATOM 1201 NH2 ARG A 74 11.339 -0.944 -17.946 1.00 0.00 N ATOM 0 H ARG A 74 8.491 0.891 -10.637 1.00 0.00 H new ATOM 0 HA ARG A 74 8.636 2.835 -12.806 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.927 0.102 -12.719 1.00 0.00 H new ATOM 0 HB3 ARG A 74 7.243 0.232 -13.187 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.906 1.797 -15.049 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.587 1.594 -14.598 1.00 0.00 H new ATOM 0 HD2 ARG A 74 8.783 -1.046 -14.823 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.775 -0.286 -16.039 1.00 0.00 H new ATOM 0 HE ARG A 74 10.368 0.791 -16.426 1.00 0.00 H new ATOM 0 HH11 ARG A 74 8.825 -2.403 -16.505 1.00 0.00 H new ATOM 0 HH12 ARG A 74 9.954 -3.052 -17.699 1.00 0.00 H new ATOM 0 HH21 ARG A 74 11.828 -0.049 -17.970 1.00 0.00 H new ATOM 0 HH22 ARG A 74 11.659 -1.716 -18.531 1.00 0.00 H new ATOM 1215 N GLY A 75 5.858 2.087 -13.319 1.00 0.00 N ATOM 1216 CA GLY A 75 4.442 2.405 -13.392 1.00 0.00 C ATOM 1217 C GLY A 75 3.628 1.187 -13.835 1.00 0.00 C ATOM 1218 O GLY A 75 3.587 0.860 -15.020 1.00 0.00 O ATOM 0 H GLY A 75 6.223 1.580 -14.125 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.092 2.746 -12.418 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.286 3.226 -14.092 1.00 0.00 H new ATOM 1222 N GLY A 76 3.000 0.549 -12.859 1.00 0.00 N ATOM 1223 CA GLY A 76 2.189 -0.626 -13.132 1.00 0.00 C ATOM 1224 C GLY A 76 2.083 -1.519 -11.895 1.00 0.00 C ATOM 1225 O GLY A 76 2.455 -2.691 -11.937 1.00 0.00 O ATOM 0 H GLY A 76 3.036 0.823 -11.877 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.193 -0.319 -13.449 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.626 -1.190 -13.956 1.00 0.00 H new TER 1229 GLY A 76