USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 571 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 36 MET CE :methyl -110:sc= -0.423 (180deg=-0.658) USER MOD Set 1.2: A 72 MET CE :methyl -109:sc= -0.332 (180deg=-2.25!) USER MOD Set 2.1: A 8 GLN : amide:sc=-0.00355 X(o=-0.0066,f=-0.44) USER MOD Set 2.2: A 77 LYS NZ :NH3+ 178:sc=-0.00305 (180deg=0) USER MOD Single : A 1 SER N :NH3+ -146:sc= 0.118 (180deg=0.000155) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0436 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -0.842! C(o=-0.84!,f=-5.6!) USER MOD Single : A 5 THR OG1 : rot 180:sc= -1.45! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.162 K(o=-0.16,f=-2.3!) USER MOD Single : A 24 ASN : amide:sc= -2.95! C(o=-2.9!,f=-4.2!) USER MOD Single : A 26 SER OG : rot 170:sc= -0.186 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 107:sc= 1.31 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 170:sc= 0 USER MOD Single : A 42 SER OG : rot -0:sc= 0.495 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -1.18 K(o=-1.2,f=-4.7!) USER MOD Single : A 52 MET CE :methyl 129:sc= -6.28! (180deg=-7.98!) USER MOD Single : A 53 ASN : amide:sc= -0.0598 X(o=-0.06,f=-0.44) USER MOD Single : A 60 ASN : amide:sc= -0.116 K(o=-0.12,f=0.85) USER MOD Single : A 61 HIS : no HE2:sc= -9.04! C(o=-9!,f=-12!) USER MOD Single : A 62 GLN : amide:sc= -0.516 K(o=-0.52,f=-2.2!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.0144 K(o=-0.014,f=-0.93) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -7.345 0.548 -23.521 1.00 0.00 N ATOM 2 CA SER A 1 -7.263 0.994 -22.099 1.00 0.00 C ATOM 3 C SER A 1 -6.967 -0.200 -21.187 1.00 0.00 C ATOM 4 O SER A 1 -6.506 -1.233 -21.631 1.00 0.00 O ATOM 5 CB SER A 1 -8.640 1.578 -21.789 1.00 0.00 C ATOM 6 OG SER A 1 -9.628 0.573 -21.972 1.00 0.00 O ATOM 0 H1 SER A 1 -6.977 1.297 -24.142 1.00 0.00 H new ATOM 0 H2 SER A 1 -6.779 -0.315 -23.647 1.00 0.00 H new ATOM 0 H3 SER A 1 -8.336 0.351 -23.766 1.00 0.00 H new ATOM 0 HA SER A 1 -6.467 1.721 -21.938 1.00 0.00 H new ATOM 0 HB2 SER A 1 -8.668 1.950 -20.765 1.00 0.00 H new ATOM 0 HB3 SER A 1 -8.843 2.427 -22.442 1.00 0.00 H new ATOM 0 HG SER A 1 -10.513 0.944 -21.772 1.00 0.00 H new ATOM 14 N SER A 2 -7.227 -0.066 -19.915 1.00 0.00 N ATOM 15 CA SER A 2 -6.961 -1.194 -18.977 1.00 0.00 C ATOM 16 C SER A 2 -8.196 -2.092 -18.864 1.00 0.00 C ATOM 17 O SER A 2 -9.317 -1.622 -18.855 1.00 0.00 O ATOM 18 CB SER A 2 -6.657 -0.528 -17.636 1.00 0.00 C ATOM 19 OG SER A 2 -5.287 -0.153 -17.597 1.00 0.00 O ATOM 0 H SER A 2 -7.612 0.775 -19.485 1.00 0.00 H new ATOM 0 HA SER A 2 -6.140 -1.827 -19.314 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.290 0.349 -17.501 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.882 -1.212 -16.818 1.00 0.00 H new ATOM 0 HG SER A 2 -5.090 0.276 -16.738 1.00 0.00 H new ATOM 25 N ASN A 3 -7.999 -3.379 -18.778 1.00 0.00 N ATOM 26 CA ASN A 3 -9.164 -4.304 -18.667 1.00 0.00 C ATOM 27 C ASN A 3 -8.999 -5.219 -17.449 1.00 0.00 C ATOM 28 O ASN A 3 -8.557 -6.345 -17.562 1.00 0.00 O ATOM 29 CB ASN A 3 -9.145 -5.123 -19.959 1.00 0.00 C ATOM 30 CG ASN A 3 -7.741 -5.687 -20.185 1.00 0.00 C ATOM 31 OD1 ASN A 3 -6.796 -4.944 -20.359 1.00 0.00 O ATOM 32 ND2 ASN A 3 -7.565 -6.980 -20.193 1.00 0.00 N ATOM 0 H ASN A 3 -7.084 -3.830 -18.780 1.00 0.00 H new ATOM 0 HA ASN A 3 -10.105 -3.769 -18.537 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -9.869 -5.935 -19.898 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.438 -4.498 -20.803 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -6.634 -7.367 -20.345 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -8.359 -7.604 -20.047 1.00 0.00 H new ATOM 39 N LEU A 4 -9.352 -4.744 -16.287 1.00 0.00 N ATOM 40 CA LEU A 4 -9.217 -5.586 -15.064 1.00 0.00 C ATOM 41 C LEU A 4 -10.366 -6.595 -14.989 1.00 0.00 C ATOM 42 O LEU A 4 -11.332 -6.506 -15.720 1.00 0.00 O ATOM 43 CB LEU A 4 -9.289 -4.603 -13.895 1.00 0.00 C ATOM 44 CG LEU A 4 -8.244 -4.979 -12.842 1.00 0.00 C ATOM 45 CD1 LEU A 4 -6.842 -4.732 -13.400 1.00 0.00 C ATOM 46 CD2 LEU A 4 -8.453 -4.123 -11.591 1.00 0.00 C ATOM 0 H LEU A 4 -9.728 -3.809 -16.131 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.290 -6.159 -15.057 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.113 -3.587 -14.250 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.286 -4.619 -13.454 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.350 -6.033 -12.585 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.099 -5.000 -12.649 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.693 -5.341 -14.292 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.733 -3.678 -13.658 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.710 -4.389 -10.840 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.347 -3.069 -11.849 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.452 -4.300 -11.192 1.00 0.00 H new ATOM 58 N THR A 5 -10.269 -7.554 -14.109 1.00 0.00 N ATOM 59 CA THR A 5 -11.357 -8.568 -13.988 1.00 0.00 C ATOM 60 C THR A 5 -11.247 -9.307 -12.652 1.00 0.00 C ATOM 61 O THR A 5 -10.540 -8.887 -11.755 1.00 0.00 O ATOM 62 CB THR A 5 -11.132 -9.533 -15.154 1.00 0.00 C ATOM 63 OG1 THR A 5 -10.365 -8.886 -16.159 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.482 -9.959 -15.733 1.00 0.00 C ATOM 0 H THR A 5 -9.485 -7.680 -13.469 1.00 0.00 H new ATOM 0 HA THR A 5 -12.348 -8.115 -14.019 1.00 0.00 H new ATOM 0 HB THR A 5 -10.598 -10.415 -14.800 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.219 -9.503 -16.906 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.321 -10.646 -16.564 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.069 -10.455 -14.960 1.00 0.00 H new ATOM 0 HG23 THR A 5 -13.019 -9.080 -16.089 1.00 0.00 H new ATOM 72 N GLU A 6 -11.938 -10.405 -12.510 1.00 0.00 N ATOM 73 CA GLU A 6 -11.872 -11.168 -11.231 1.00 0.00 C ATOM 74 C GLU A 6 -10.475 -11.768 -11.045 1.00 0.00 C ATOM 75 O GLU A 6 -9.900 -11.707 -9.975 1.00 0.00 O ATOM 76 CB GLU A 6 -12.920 -12.273 -11.370 1.00 0.00 C ATOM 77 CG GLU A 6 -12.553 -13.184 -12.543 1.00 0.00 C ATOM 78 CD GLU A 6 -13.689 -14.179 -12.793 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.746 -13.999 -12.209 1.00 0.00 O ATOM 80 OE2 GLU A 6 -13.483 -15.102 -13.564 1.00 0.00 O ATOM 0 H GLU A 6 -12.545 -10.807 -13.224 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.063 -10.536 -10.364 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.975 -12.854 -10.449 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.905 -11.835 -11.531 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -12.374 -12.588 -13.438 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -11.628 -13.719 -12.326 1.00 0.00 H new ATOM 87 N GLU A 7 -9.921 -12.343 -12.078 1.00 0.00 N ATOM 88 CA GLU A 7 -8.561 -12.940 -11.956 1.00 0.00 C ATOM 89 C GLU A 7 -7.514 -11.832 -11.831 1.00 0.00 C ATOM 90 O GLU A 7 -6.541 -11.959 -11.115 1.00 0.00 O ATOM 91 CB GLU A 7 -8.356 -13.730 -13.249 1.00 0.00 C ATOM 92 CG GLU A 7 -8.618 -15.215 -12.988 1.00 0.00 C ATOM 93 CD GLU A 7 -7.401 -16.033 -13.423 1.00 0.00 C ATOM 94 OE1 GLU A 7 -6.676 -15.567 -14.287 1.00 0.00 O ATOM 95 OE2 GLU A 7 -7.214 -17.112 -12.884 1.00 0.00 O ATOM 0 H GLU A 7 -10.351 -12.425 -12.999 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.463 -13.574 -11.075 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.029 -13.362 -14.023 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.340 -13.588 -13.617 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.820 -15.379 -11.929 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.503 -15.541 -13.535 1.00 0.00 H new ATOM 102 N GLN A 8 -7.711 -10.740 -12.519 1.00 0.00 N ATOM 103 CA GLN A 8 -6.731 -9.621 -12.434 1.00 0.00 C ATOM 104 C GLN A 8 -6.691 -9.073 -11.006 1.00 0.00 C ATOM 105 O GLN A 8 -5.673 -9.111 -10.345 1.00 0.00 O ATOM 106 CB GLN A 8 -7.254 -8.560 -13.403 1.00 0.00 C ATOM 107 CG GLN A 8 -6.088 -7.981 -14.206 1.00 0.00 C ATOM 108 CD GLN A 8 -5.883 -8.806 -15.477 1.00 0.00 C ATOM 109 OE1 GLN A 8 -5.831 -10.018 -15.428 1.00 0.00 O ATOM 110 NE2 GLN A 8 -5.765 -8.195 -16.624 1.00 0.00 N ATOM 0 H GLN A 8 -8.507 -10.575 -13.135 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.718 -9.934 -12.686 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.990 -8.999 -14.076 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.759 -7.767 -12.852 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.291 -6.941 -14.464 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.179 -7.989 -13.604 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.809 -7.177 -16.666 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.629 -8.736 -17.478 1.00 0.00 H new ATOM 119 N ILE A 9 -7.795 -8.572 -10.523 1.00 0.00 N ATOM 120 CA ILE A 9 -7.820 -8.031 -9.134 1.00 0.00 C ATOM 121 C ILE A 9 -7.262 -9.071 -8.161 1.00 0.00 C ATOM 122 O ILE A 9 -6.603 -8.743 -7.195 1.00 0.00 O ATOM 123 CB ILE A 9 -9.296 -7.758 -8.842 1.00 0.00 C ATOM 124 CG1 ILE A 9 -9.821 -6.705 -9.820 1.00 0.00 C ATOM 125 CG2 ILE A 9 -9.446 -7.242 -7.409 1.00 0.00 C ATOM 126 CD1 ILE A 9 -11.283 -6.391 -9.495 1.00 0.00 C ATOM 0 H ILE A 9 -8.679 -8.514 -11.029 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.213 -7.132 -9.025 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.866 -8.680 -8.958 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.220 -5.798 -9.752 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.735 -7.069 -10.844 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.498 -7.047 -7.201 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.070 -7.991 -6.712 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.876 -6.320 -7.293 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.658 -5.641 -10.191 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.879 -7.299 -9.585 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.355 -6.009 -8.477 1.00 0.00 H new ATOM 138 N ALA A 10 -7.518 -10.327 -8.413 1.00 0.00 N ATOM 139 CA ALA A 10 -7.000 -11.390 -7.507 1.00 0.00 C ATOM 140 C ALA A 10 -5.475 -11.299 -7.410 1.00 0.00 C ATOM 141 O ALA A 10 -4.915 -11.203 -6.334 1.00 0.00 O ATOM 142 CB ALA A 10 -7.419 -12.707 -8.163 1.00 0.00 C ATOM 0 H ALA A 10 -8.063 -10.662 -9.207 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.390 -11.299 -6.493 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.074 -13.543 -7.554 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.505 -12.743 -8.246 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.977 -12.775 -9.157 1.00 0.00 H new ATOM 148 N GLU A 11 -4.799 -11.322 -8.526 1.00 0.00 N ATOM 149 CA GLU A 11 -3.311 -11.231 -8.497 1.00 0.00 C ATOM 150 C GLU A 11 -2.880 -9.952 -7.776 1.00 0.00 C ATOM 151 O GLU A 11 -1.837 -9.898 -7.154 1.00 0.00 O ATOM 152 CB GLU A 11 -2.887 -11.188 -9.965 1.00 0.00 C ATOM 153 CG GLU A 11 -2.276 -12.536 -10.358 1.00 0.00 C ATOM 154 CD GLU A 11 -1.039 -12.300 -11.227 1.00 0.00 C ATOM 155 OE1 GLU A 11 -1.159 -11.593 -12.214 1.00 0.00 O ATOM 156 OE2 GLU A 11 0.006 -12.832 -10.892 1.00 0.00 O ATOM 0 H GLU A 11 -5.212 -11.400 -9.456 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.854 -12.067 -7.967 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.747 -10.968 -10.597 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.163 -10.388 -10.123 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.004 -13.099 -9.465 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.007 -13.134 -10.902 1.00 0.00 H new ATOM 163 N PHE A 12 -3.677 -8.920 -7.851 1.00 0.00 N ATOM 164 CA PHE A 12 -3.314 -7.647 -7.167 1.00 0.00 C ATOM 165 C PHE A 12 -3.363 -7.835 -5.649 1.00 0.00 C ATOM 166 O PHE A 12 -2.486 -7.399 -4.930 1.00 0.00 O ATOM 167 CB PHE A 12 -4.372 -6.639 -7.616 1.00 0.00 C ATOM 168 CG PHE A 12 -4.029 -6.122 -8.992 1.00 0.00 C ATOM 169 CD1 PHE A 12 -3.821 -7.019 -10.046 1.00 0.00 C ATOM 170 CD2 PHE A 12 -3.919 -4.743 -9.214 1.00 0.00 C ATOM 171 CE1 PHE A 12 -3.505 -6.538 -11.323 1.00 0.00 C ATOM 172 CE2 PHE A 12 -3.604 -4.263 -10.490 1.00 0.00 C ATOM 173 CZ PHE A 12 -3.397 -5.160 -11.545 1.00 0.00 C ATOM 0 H PHE A 12 -4.563 -8.904 -8.356 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.306 -7.316 -7.416 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.355 -7.110 -7.628 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.424 -5.812 -6.908 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.904 -8.082 -9.875 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.077 -4.051 -8.400 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.345 -7.230 -12.136 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.520 -3.200 -10.661 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.154 -4.789 -12.530 1.00 0.00 H new ATOM 183 N LYS A 13 -4.382 -8.485 -5.156 1.00 0.00 N ATOM 184 CA LYS A 13 -4.485 -8.704 -3.685 1.00 0.00 C ATOM 185 C LYS A 13 -3.255 -9.462 -3.182 1.00 0.00 C ATOM 186 O LYS A 13 -2.602 -9.051 -2.243 1.00 0.00 O ATOM 187 CB LYS A 13 -5.749 -9.544 -3.496 1.00 0.00 C ATOM 188 CG LYS A 13 -6.692 -8.836 -2.522 1.00 0.00 C ATOM 189 CD LYS A 13 -7.134 -9.817 -1.434 1.00 0.00 C ATOM 190 CE LYS A 13 -6.577 -9.367 -0.082 1.00 0.00 C ATOM 191 NZ LYS A 13 -7.711 -9.521 0.871 1.00 0.00 N ATOM 0 H LYS A 13 -5.147 -8.874 -5.708 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.534 -7.768 -3.128 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.245 -9.694 -4.455 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.489 -10.531 -3.114 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.191 -7.979 -2.072 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.562 -8.452 -3.055 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.222 -9.865 -1.393 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.780 -10.821 -1.669 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.724 -9.977 0.217 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.232 -8.334 -0.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.407 -9.231 1.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.505 -8.924 0.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.014 -10.516 0.892 1.00 0.00 H new ATOM 205 N GLU A 14 -2.932 -10.565 -3.801 1.00 0.00 N ATOM 206 CA GLU A 14 -1.741 -11.344 -3.358 1.00 0.00 C ATOM 207 C GLU A 14 -0.502 -10.445 -3.347 1.00 0.00 C ATOM 208 O GLU A 14 0.298 -10.485 -2.433 1.00 0.00 O ATOM 209 CB GLU A 14 -1.587 -12.457 -4.394 1.00 0.00 C ATOM 210 CG GLU A 14 -0.732 -13.584 -3.811 1.00 0.00 C ATOM 211 CD GLU A 14 -0.382 -14.583 -4.916 1.00 0.00 C ATOM 212 OE1 GLU A 14 -1.258 -14.891 -5.708 1.00 0.00 O ATOM 213 OE2 GLU A 14 0.754 -15.025 -4.950 1.00 0.00 O ATOM 0 H GLU A 14 -3.440 -10.960 -4.593 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.857 -11.742 -2.350 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.567 -12.840 -4.680 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.122 -12.064 -5.298 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.179 -13.175 -3.374 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.272 -14.087 -3.009 1.00 0.00 H new ATOM 220 N ALA A 15 -0.341 -9.633 -4.354 1.00 0.00 N ATOM 221 CA ALA A 15 0.843 -8.728 -4.402 1.00 0.00 C ATOM 222 C ALA A 15 0.769 -7.705 -3.265 1.00 0.00 C ATOM 223 O ALA A 15 1.535 -7.751 -2.324 1.00 0.00 O ATOM 224 CB ALA A 15 0.752 -8.029 -5.758 1.00 0.00 C ATOM 0 H ALA A 15 -0.978 -9.556 -5.147 1.00 0.00 H new ATOM 0 HA ALA A 15 1.783 -9.268 -4.285 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.591 -7.343 -5.871 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.782 -8.773 -6.554 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.183 -7.472 -5.818 1.00 0.00 H new ATOM 230 N PHE A 16 -0.152 -6.785 -3.345 1.00 0.00 N ATOM 231 CA PHE A 16 -0.281 -5.760 -2.270 1.00 0.00 C ATOM 232 C PHE A 16 -0.124 -6.410 -0.892 1.00 0.00 C ATOM 233 O PHE A 16 0.641 -5.955 -0.064 1.00 0.00 O ATOM 234 CB PHE A 16 -1.692 -5.195 -2.435 1.00 0.00 C ATOM 235 CG PHE A 16 -1.884 -4.032 -1.494 1.00 0.00 C ATOM 236 CD1 PHE A 16 -1.471 -2.748 -1.872 1.00 0.00 C ATOM 237 CD2 PHE A 16 -2.475 -4.237 -0.241 1.00 0.00 C ATOM 238 CE1 PHE A 16 -1.651 -1.669 -0.998 1.00 0.00 C ATOM 239 CE2 PHE A 16 -2.654 -3.158 0.633 1.00 0.00 C ATOM 240 CZ PHE A 16 -2.242 -1.874 0.255 1.00 0.00 C ATOM 0 H PHE A 16 -0.822 -6.698 -4.109 1.00 0.00 H new ATOM 0 HA PHE A 16 0.484 -4.987 -2.344 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.847 -4.872 -3.465 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.431 -5.969 -2.228 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.014 -2.590 -2.838 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.793 -5.227 0.051 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.334 -0.679 -1.290 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.110 -3.316 1.599 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.380 -1.042 0.930 1.00 0.00 H new ATOM 250 N ALA A 17 -0.845 -7.467 -0.640 1.00 0.00 N ATOM 251 CA ALA A 17 -0.742 -8.143 0.686 1.00 0.00 C ATOM 252 C ALA A 17 0.626 -8.815 0.841 1.00 0.00 C ATOM 253 O ALA A 17 1.126 -8.978 1.936 1.00 0.00 O ATOM 254 CB ALA A 17 -1.855 -9.190 0.682 1.00 0.00 C ATOM 0 H ALA A 17 -1.502 -7.893 -1.294 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.842 -7.441 1.514 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.847 -9.733 1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.819 -8.696 0.556 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.695 -9.888 -0.139 1.00 0.00 H new ATOM 260 N LEU A 18 1.235 -9.207 -0.244 1.00 0.00 N ATOM 261 CA LEU A 18 2.569 -9.869 -0.150 1.00 0.00 C ATOM 262 C LEU A 18 3.546 -8.985 0.633 1.00 0.00 C ATOM 263 O LEU A 18 4.566 -9.443 1.108 1.00 0.00 O ATOM 264 CB LEU A 18 3.036 -10.036 -1.596 1.00 0.00 C ATOM 265 CG LEU A 18 3.374 -11.504 -1.857 1.00 0.00 C ATOM 266 CD1 LEU A 18 3.234 -11.804 -3.351 1.00 0.00 C ATOM 267 CD2 LEU A 18 4.813 -11.782 -1.415 1.00 0.00 C ATOM 0 H LEU A 18 0.869 -9.098 -1.190 1.00 0.00 H new ATOM 0 HA LEU A 18 2.518 -10.824 0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.256 -9.704 -2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.910 -9.412 -1.781 1.00 0.00 H new ATOM 0 HG LEU A 18 2.690 -12.139 -1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.475 -12.851 -3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.210 -11.606 -3.667 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.917 -11.169 -3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.055 -12.828 -1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.496 -11.146 -1.978 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.914 -11.570 -0.351 1.00 0.00 H new ATOM 279 N PHE A 19 3.243 -7.723 0.772 1.00 0.00 N ATOM 280 CA PHE A 19 4.157 -6.816 1.527 1.00 0.00 C ATOM 281 C PHE A 19 3.396 -6.113 2.653 1.00 0.00 C ATOM 282 O PHE A 19 3.879 -5.168 3.246 1.00 0.00 O ATOM 283 CB PHE A 19 4.649 -5.799 0.496 1.00 0.00 C ATOM 284 CG PHE A 19 5.063 -6.518 -0.765 1.00 0.00 C ATOM 285 CD1 PHE A 19 4.109 -6.815 -1.744 1.00 0.00 C ATOM 286 CD2 PHE A 19 6.400 -6.884 -0.957 1.00 0.00 C ATOM 287 CE1 PHE A 19 4.491 -7.481 -2.916 1.00 0.00 C ATOM 288 CE2 PHE A 19 6.783 -7.548 -2.128 1.00 0.00 C ATOM 289 CZ PHE A 19 5.828 -7.847 -3.107 1.00 0.00 C ATOM 0 H PHE A 19 2.404 -7.281 0.397 1.00 0.00 H new ATOM 0 HA PHE A 19 4.982 -7.357 1.992 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.861 -5.080 0.275 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.491 -5.236 0.899 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.078 -6.531 -1.596 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.137 -6.654 -0.201 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.754 -7.712 -3.671 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.815 -7.830 -2.276 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.123 -8.360 -4.010 1.00 0.00 H new ATOM 299 N ASP A 20 2.208 -6.564 2.951 1.00 0.00 N ATOM 300 CA ASP A 20 1.418 -5.918 4.039 1.00 0.00 C ATOM 301 C ASP A 20 2.065 -6.194 5.400 1.00 0.00 C ATOM 302 O ASP A 20 1.663 -7.086 6.120 1.00 0.00 O ATOM 303 CB ASP A 20 0.036 -6.566 3.962 1.00 0.00 C ATOM 304 CG ASP A 20 0.154 -8.062 4.261 1.00 0.00 C ATOM 305 OD1 ASP A 20 1.269 -8.555 4.280 1.00 0.00 O ATOM 306 OD2 ASP A 20 -0.873 -8.688 4.467 1.00 0.00 O ATOM 0 H ASP A 20 1.751 -7.350 2.490 1.00 0.00 H new ATOM 0 HA ASP A 20 1.368 -4.835 3.926 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.639 -6.094 4.676 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.393 -6.415 2.971 1.00 0.00 H new ATOM 311 N LYS A 21 3.064 -5.435 5.757 1.00 0.00 N ATOM 312 CA LYS A 21 3.735 -5.654 7.070 1.00 0.00 C ATOM 313 C LYS A 21 2.781 -5.304 8.215 1.00 0.00 C ATOM 314 O LYS A 21 2.755 -5.962 9.237 1.00 0.00 O ATOM 315 CB LYS A 21 4.936 -4.707 7.064 1.00 0.00 C ATOM 316 CG LYS A 21 5.513 -4.605 8.477 1.00 0.00 C ATOM 317 CD LYS A 21 6.717 -3.661 8.471 1.00 0.00 C ATOM 318 CE LYS A 21 7.892 -4.337 7.760 1.00 0.00 C ATOM 319 NZ LYS A 21 9.036 -4.212 8.706 1.00 0.00 N ATOM 0 H LYS A 21 3.445 -4.673 5.197 1.00 0.00 H new ATOM 0 HA LYS A 21 4.036 -6.692 7.213 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.697 -5.072 6.375 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.633 -3.721 6.711 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.753 -4.237 9.166 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.813 -5.591 8.831 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.460 -2.730 7.966 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.996 -3.403 9.493 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.673 -5.382 7.541 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.111 -3.851 6.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.881 -4.653 8.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.226 -3.206 8.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.801 -4.690 9.600 1.00 0.00 H new ATOM 333 N ASP A 22 1.996 -4.275 8.052 1.00 0.00 N ATOM 334 CA ASP A 22 1.044 -3.885 9.132 1.00 0.00 C ATOM 335 C ASP A 22 0.013 -4.996 9.354 1.00 0.00 C ATOM 336 O ASP A 22 -0.689 -5.014 10.345 1.00 0.00 O ATOM 337 CB ASP A 22 0.362 -2.616 8.619 1.00 0.00 C ATOM 338 CG ASP A 22 1.409 -1.518 8.418 1.00 0.00 C ATOM 339 OD1 ASP A 22 2.086 -1.192 9.379 1.00 0.00 O ATOM 340 OD2 ASP A 22 1.515 -1.024 7.309 1.00 0.00 O ATOM 0 H ASP A 22 1.972 -3.687 7.219 1.00 0.00 H new ATOM 0 HA ASP A 22 1.545 -3.721 10.086 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.151 -2.821 7.679 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.395 -2.285 9.330 1.00 0.00 H new ATOM 345 N ASN A 23 -0.080 -5.921 8.439 1.00 0.00 N ATOM 346 CA ASN A 23 -1.064 -7.032 8.599 1.00 0.00 C ATOM 347 C ASN A 23 -2.492 -6.480 8.573 1.00 0.00 C ATOM 348 O ASN A 23 -3.406 -7.071 9.115 1.00 0.00 O ATOM 349 CB ASN A 23 -0.751 -7.645 9.964 1.00 0.00 C ATOM 350 CG ASN A 23 -1.223 -9.098 9.992 1.00 0.00 C ATOM 351 OD1 ASN A 23 -1.311 -9.741 8.964 1.00 0.00 O ATOM 352 ND2 ASN A 23 -1.534 -9.649 11.133 1.00 0.00 N ATOM 0 H ASN A 23 0.481 -5.957 7.588 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.992 -7.766 7.797 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.320 -7.596 10.159 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.245 -7.076 10.752 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.851 -10.618 11.162 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.461 -9.111 11.996 1.00 0.00 H new ATOM 359 N ASN A 24 -2.693 -5.354 7.945 1.00 0.00 N ATOM 360 CA ASN A 24 -4.063 -4.769 7.885 1.00 0.00 C ATOM 361 C ASN A 24 -4.409 -4.373 6.447 1.00 0.00 C ATOM 362 O ASN A 24 -4.815 -3.260 6.180 1.00 0.00 O ATOM 363 CB ASN A 24 -4.005 -3.532 8.782 1.00 0.00 C ATOM 364 CG ASN A 24 -3.387 -3.907 10.131 1.00 0.00 C ATOM 365 OD1 ASN A 24 -3.467 -5.043 10.553 1.00 0.00 O ATOM 366 ND2 ASN A 24 -2.771 -2.992 10.828 1.00 0.00 N ATOM 0 H ASN A 24 -1.969 -4.814 7.471 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.827 -5.475 8.211 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.414 -2.751 8.304 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.007 -3.129 8.929 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.356 -3.230 11.729 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.705 -2.038 10.472 1.00 0.00 H new ATOM 373 N GLY A 25 -4.250 -5.276 5.518 1.00 0.00 N ATOM 374 CA GLY A 25 -4.569 -4.952 4.099 1.00 0.00 C ATOM 375 C GLY A 25 -4.017 -3.567 3.754 1.00 0.00 C ATOM 376 O GLY A 25 -4.606 -2.825 2.995 1.00 0.00 O ATOM 0 H GLY A 25 -3.913 -6.225 5.681 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.136 -5.703 3.438 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.648 -4.974 3.944 1.00 0.00 H new ATOM 380 N SER A 26 -2.890 -3.215 4.308 1.00 0.00 N ATOM 381 CA SER A 26 -2.300 -1.877 4.013 1.00 0.00 C ATOM 382 C SER A 26 -0.783 -1.995 3.847 1.00 0.00 C ATOM 383 O SER A 26 -0.144 -2.828 4.459 1.00 0.00 O ATOM 384 CB SER A 26 -2.643 -1.017 5.227 1.00 0.00 C ATOM 385 OG SER A 26 -2.294 -1.718 6.414 1.00 0.00 O ATOM 0 H SER A 26 -2.352 -3.795 4.952 1.00 0.00 H new ATOM 0 HA SER A 26 -2.688 -1.448 3.089 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.106 -0.070 5.179 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.707 -0.780 5.230 1.00 0.00 H new ATOM 0 HG SER A 26 -2.361 -1.113 7.182 1.00 0.00 H new ATOM 391 N ILE A 27 -0.201 -1.166 3.024 1.00 0.00 N ATOM 392 CA ILE A 27 1.275 -1.233 2.821 1.00 0.00 C ATOM 393 C ILE A 27 1.858 0.178 2.701 1.00 0.00 C ATOM 394 O ILE A 27 1.184 1.106 2.300 1.00 0.00 O ATOM 395 CB ILE A 27 1.460 -2.003 1.512 1.00 0.00 C ATOM 396 CG1 ILE A 27 1.073 -1.105 0.333 1.00 0.00 C ATOM 397 CG2 ILE A 27 0.567 -3.245 1.521 1.00 0.00 C ATOM 398 CD1 ILE A 27 1.319 -1.852 -0.980 1.00 0.00 C ATOM 0 H ILE A 27 -0.682 -0.447 2.484 1.00 0.00 H new ATOM 0 HA ILE A 27 1.785 -1.717 3.654 1.00 0.00 H new ATOM 0 HB ILE A 27 2.502 -2.305 1.412 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.024 -0.818 0.410 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.657 -0.185 0.355 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.698 -3.794 0.589 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.841 -3.884 2.360 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.476 -2.943 1.620 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.044 -1.213 -1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.374 -2.116 -1.056 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.715 -2.759 -1.001 1.00 0.00 H new ATOM 410 N SER A 28 3.106 0.346 3.043 1.00 0.00 N ATOM 411 CA SER A 28 3.728 1.697 2.943 1.00 0.00 C ATOM 412 C SER A 28 4.040 2.023 1.480 1.00 0.00 C ATOM 413 O SER A 28 4.272 1.144 0.675 1.00 0.00 O ATOM 414 CB SER A 28 5.017 1.600 3.758 1.00 0.00 C ATOM 415 OG SER A 28 5.055 2.660 4.705 1.00 0.00 O ATOM 0 H SER A 28 3.721 -0.392 3.387 1.00 0.00 H new ATOM 0 HA SER A 28 3.072 2.485 3.313 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.066 0.638 4.269 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.883 1.655 3.098 1.00 0.00 H new ATOM 0 HG SER A 28 5.880 2.600 5.231 1.00 0.00 H new ATOM 421 N SER A 29 4.045 3.279 1.129 1.00 0.00 N ATOM 422 CA SER A 29 4.340 3.655 -0.284 1.00 0.00 C ATOM 423 C SER A 29 5.533 2.850 -0.805 1.00 0.00 C ATOM 424 O SER A 29 5.480 2.261 -1.866 1.00 0.00 O ATOM 425 CB SER A 29 4.676 5.145 -0.236 1.00 0.00 C ATOM 426 OG SER A 29 5.812 5.397 -1.055 1.00 0.00 O ATOM 0 H SER A 29 3.858 4.061 1.757 1.00 0.00 H new ATOM 0 HA SER A 29 3.503 3.449 -0.951 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.826 5.733 -0.582 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.878 5.451 0.790 1.00 0.00 H new ATOM 0 HG SER A 29 5.530 5.861 -1.871 1.00 0.00 H new ATOM 432 N SER A 30 6.609 2.820 -0.067 1.00 0.00 N ATOM 433 CA SER A 30 7.802 2.050 -0.521 1.00 0.00 C ATOM 434 C SER A 30 7.392 0.631 -0.925 1.00 0.00 C ATOM 435 O SER A 30 7.963 0.040 -1.821 1.00 0.00 O ATOM 436 CB SER A 30 8.735 2.015 0.688 1.00 0.00 C ATOM 437 OG SER A 30 10.078 1.881 0.241 1.00 0.00 O ATOM 0 H SER A 30 6.714 3.295 0.830 1.00 0.00 H new ATOM 0 HA SER A 30 8.280 2.502 -1.390 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.624 2.927 1.274 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.472 1.183 1.341 1.00 0.00 H new ATOM 0 HG SER A 30 10.680 1.860 1.014 1.00 0.00 H new ATOM 443 N GLU A 31 6.405 0.082 -0.272 1.00 0.00 N ATOM 444 CA GLU A 31 5.958 -1.298 -0.618 1.00 0.00 C ATOM 445 C GLU A 31 5.109 -1.274 -1.892 1.00 0.00 C ATOM 446 O GLU A 31 5.164 -2.178 -2.703 1.00 0.00 O ATOM 447 CB GLU A 31 5.119 -1.754 0.576 1.00 0.00 C ATOM 448 CG GLU A 31 5.903 -1.521 1.869 1.00 0.00 C ATOM 449 CD GLU A 31 6.245 -2.868 2.508 1.00 0.00 C ATOM 450 OE1 GLU A 31 5.445 -3.349 3.295 1.00 0.00 O ATOM 451 OE2 GLU A 31 7.300 -3.398 2.201 1.00 0.00 O ATOM 0 H GLU A 31 5.889 0.529 0.486 1.00 0.00 H new ATOM 0 HA GLU A 31 6.796 -1.969 -0.807 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.178 -1.204 0.604 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.868 -2.810 0.476 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.816 -0.964 1.658 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.314 -0.918 2.560 1.00 0.00 H new ATOM 458 N LEU A 32 4.323 -0.248 -2.075 1.00 0.00 N ATOM 459 CA LEU A 32 3.473 -0.170 -3.298 1.00 0.00 C ATOM 460 C LEU A 32 4.346 -0.270 -4.551 1.00 0.00 C ATOM 461 O LEU A 32 3.947 -0.827 -5.554 1.00 0.00 O ATOM 462 CB LEU A 32 2.789 1.195 -3.223 1.00 0.00 C ATOM 463 CG LEU A 32 2.020 1.452 -4.520 1.00 0.00 C ATOM 464 CD1 LEU A 32 1.077 0.280 -4.798 1.00 0.00 C ATOM 465 CD2 LEU A 32 1.204 2.739 -4.379 1.00 0.00 C ATOM 0 H LEU A 32 4.232 0.539 -1.432 1.00 0.00 H new ATOM 0 HA LEU A 32 2.748 -0.982 -3.351 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.109 1.226 -2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.531 1.978 -3.067 1.00 0.00 H new ATOM 0 HG LEU A 32 2.724 1.553 -5.346 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.530 0.465 -5.722 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.657 -0.638 -4.897 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.372 0.177 -3.973 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.655 2.925 -5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.501 2.635 -3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.875 3.575 -4.181 1.00 0.00 H new ATOM 477 N ALA A 33 5.536 0.262 -4.501 1.00 0.00 N ATOM 478 CA ALA A 33 6.432 0.190 -5.690 1.00 0.00 C ATOM 479 C ALA A 33 6.682 -1.273 -6.063 1.00 0.00 C ATOM 480 O ALA A 33 6.595 -1.654 -7.213 1.00 0.00 O ATOM 481 CB ALA A 33 7.733 0.862 -5.249 1.00 0.00 C ATOM 0 H ALA A 33 5.926 0.742 -3.690 1.00 0.00 H new ATOM 0 HA ALA A 33 6.003 0.677 -6.566 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.447 0.849 -6.073 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.530 1.894 -4.961 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.151 0.323 -4.398 1.00 0.00 H new ATOM 487 N THR A 34 6.983 -2.096 -5.097 1.00 0.00 N ATOM 488 CA THR A 34 7.231 -3.533 -5.395 1.00 0.00 C ATOM 489 C THR A 34 5.961 -4.175 -5.960 1.00 0.00 C ATOM 490 O THR A 34 5.927 -4.617 -7.091 1.00 0.00 O ATOM 491 CB THR A 34 7.597 -4.164 -4.052 1.00 0.00 C ATOM 492 OG1 THR A 34 8.829 -3.623 -3.595 1.00 0.00 O ATOM 493 CG2 THR A 34 7.733 -5.677 -4.220 1.00 0.00 C ATOM 0 H THR A 34 7.068 -1.835 -4.115 1.00 0.00 H new ATOM 0 HA THR A 34 8.019 -3.672 -6.135 1.00 0.00 H new ATOM 0 HB THR A 34 6.815 -3.950 -3.324 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.063 -4.026 -2.733 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.994 -6.127 -3.262 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.787 -6.091 -4.570 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.515 -5.893 -4.948 1.00 0.00 H new ATOM 501 N VAL A 35 4.912 -4.221 -5.183 1.00 0.00 N ATOM 502 CA VAL A 35 3.643 -4.828 -5.682 1.00 0.00 C ATOM 503 C VAL A 35 3.360 -4.333 -7.104 1.00 0.00 C ATOM 504 O VAL A 35 2.837 -5.052 -7.933 1.00 0.00 O ATOM 505 CB VAL A 35 2.561 -4.338 -4.720 1.00 0.00 C ATOM 506 CG1 VAL A 35 2.858 -4.851 -3.311 1.00 0.00 C ATOM 507 CG2 VAL A 35 2.540 -2.809 -4.710 1.00 0.00 C ATOM 0 H VAL A 35 4.878 -3.866 -4.227 1.00 0.00 H new ATOM 0 HA VAL A 35 3.687 -5.916 -5.719 1.00 0.00 H new ATOM 0 HB VAL A 35 1.591 -4.713 -5.046 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.086 -4.501 -2.626 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.872 -5.941 -3.316 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.829 -4.477 -2.985 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.768 -2.460 -4.024 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.511 -2.434 -4.385 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.326 -2.441 -5.714 1.00 0.00 H new ATOM 517 N MET A 36 3.704 -3.105 -7.385 1.00 0.00 N ATOM 518 CA MET A 36 3.460 -2.549 -8.746 1.00 0.00 C ATOM 519 C MET A 36 4.193 -3.380 -9.803 1.00 0.00 C ATOM 520 O MET A 36 3.585 -3.951 -10.688 1.00 0.00 O ATOM 521 CB MET A 36 4.022 -1.128 -8.693 1.00 0.00 C ATOM 522 CG MET A 36 3.556 -0.345 -9.922 1.00 0.00 C ATOM 523 SD MET A 36 1.747 -0.319 -9.973 1.00 0.00 S ATOM 524 CE MET A 36 1.507 1.038 -8.801 1.00 0.00 C ATOM 0 H MET A 36 4.145 -2.461 -6.728 1.00 0.00 H new ATOM 0 HA MET A 36 2.404 -2.563 -9.015 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.689 -0.628 -7.783 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.111 -1.158 -8.660 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.944 0.673 -9.886 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.949 -0.804 -10.829 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.081 0.649 -7.876 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.467 1.509 -8.588 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.828 1.775 -9.231 1.00 0.00 H new ATOM 534 N ARG A 37 5.493 -3.450 -9.722 1.00 0.00 N ATOM 535 CA ARG A 37 6.260 -4.243 -10.727 1.00 0.00 C ATOM 536 C ARG A 37 6.009 -5.741 -10.527 1.00 0.00 C ATOM 537 O ARG A 37 6.258 -6.544 -11.405 1.00 0.00 O ATOM 538 CB ARG A 37 7.727 -3.904 -10.460 1.00 0.00 C ATOM 539 CG ARG A 37 7.994 -2.450 -10.850 1.00 0.00 C ATOM 540 CD ARG A 37 9.036 -1.851 -9.903 1.00 0.00 C ATOM 541 NE ARG A 37 8.250 -1.051 -8.924 1.00 0.00 N ATOM 542 CZ ARG A 37 8.625 0.162 -8.620 1.00 0.00 C ATOM 543 NH1 ARG A 37 9.806 0.369 -8.107 1.00 0.00 N ATOM 544 NH2 ARG A 37 7.818 1.166 -8.830 1.00 0.00 N ATOM 0 H ARG A 37 6.058 -2.994 -9.005 1.00 0.00 H new ATOM 0 HA ARG A 37 5.966 -4.008 -11.750 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.961 -4.058 -9.407 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.375 -4.569 -11.031 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.350 -2.398 -11.879 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.070 -1.874 -10.802 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.611 -2.631 -9.404 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.747 -1.226 -10.443 1.00 0.00 H new ATOM 0 HE ARG A 37 7.418 -1.451 -8.490 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.436 -0.416 -7.944 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.100 1.316 -7.869 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.895 1.003 -9.231 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.111 2.114 -8.593 1.00 0.00 H new ATOM 558 N SER A 38 5.521 -6.125 -9.379 1.00 0.00 N ATOM 559 CA SER A 38 5.258 -7.571 -9.125 1.00 0.00 C ATOM 560 C SER A 38 4.107 -8.066 -10.003 1.00 0.00 C ATOM 561 O SER A 38 4.110 -9.185 -10.473 1.00 0.00 O ATOM 562 CB SER A 38 4.878 -7.650 -7.647 1.00 0.00 C ATOM 563 OG SER A 38 6.053 -7.839 -6.870 1.00 0.00 O ATOM 0 H SER A 38 5.293 -5.500 -8.606 1.00 0.00 H new ATOM 0 HA SER A 38 6.122 -8.193 -9.359 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.369 -6.736 -7.341 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.183 -8.473 -7.482 1.00 0.00 H new ATOM 0 HG SER A 38 5.838 -7.729 -5.920 1.00 0.00 H new ATOM 569 N LEU A 39 3.123 -7.240 -10.226 1.00 0.00 N ATOM 570 CA LEU A 39 1.973 -7.668 -11.075 1.00 0.00 C ATOM 571 C LEU A 39 2.459 -8.016 -12.485 1.00 0.00 C ATOM 572 O LEU A 39 1.863 -8.817 -13.177 1.00 0.00 O ATOM 573 CB LEU A 39 1.029 -6.465 -11.114 1.00 0.00 C ATOM 574 CG LEU A 39 0.185 -6.429 -9.839 1.00 0.00 C ATOM 575 CD1 LEU A 39 -0.880 -5.338 -9.963 1.00 0.00 C ATOM 576 CD2 LEU A 39 -0.499 -7.783 -9.638 1.00 0.00 C ATOM 0 H LEU A 39 3.064 -6.290 -9.859 1.00 0.00 H new ATOM 0 HA LEU A 39 1.479 -8.555 -10.679 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.603 -5.543 -11.207 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.381 -6.527 -11.988 1.00 0.00 H new ATOM 0 HG LEU A 39 0.829 -6.216 -8.986 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.482 -5.312 -9.055 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.396 -4.372 -10.106 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.522 -5.552 -10.817 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.100 -7.756 -8.729 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.142 -7.996 -10.492 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.257 -8.563 -9.550 1.00 0.00 H new ATOM 588 N GLY A 40 3.540 -7.423 -12.914 1.00 0.00 N ATOM 589 CA GLY A 40 4.062 -7.726 -14.278 1.00 0.00 C ATOM 590 C GLY A 40 4.304 -6.422 -15.040 1.00 0.00 C ATOM 591 O GLY A 40 4.159 -6.361 -16.245 1.00 0.00 O ATOM 0 H GLY A 40 4.083 -6.744 -12.381 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.990 -8.293 -14.205 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.350 -8.348 -14.820 1.00 0.00 H new ATOM 595 N LEU A 41 4.673 -5.377 -14.350 1.00 0.00 N ATOM 596 CA LEU A 41 4.925 -4.079 -15.043 1.00 0.00 C ATOM 597 C LEU A 41 6.215 -3.444 -14.518 1.00 0.00 C ATOM 598 O LEU A 41 6.869 -3.974 -13.643 1.00 0.00 O ATOM 599 CB LEU A 41 3.719 -3.201 -14.704 1.00 0.00 C ATOM 600 CG LEU A 41 3.376 -3.346 -13.222 1.00 0.00 C ATOM 601 CD1 LEU A 41 3.031 -1.974 -12.640 1.00 0.00 C ATOM 602 CD2 LEU A 41 2.173 -4.281 -13.067 1.00 0.00 C ATOM 0 H LEU A 41 4.811 -5.365 -13.339 1.00 0.00 H new ATOM 0 HA LEU A 41 5.045 -4.204 -16.119 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.939 -2.159 -14.936 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.864 -3.490 -15.315 1.00 0.00 H new ATOM 0 HG LEU A 41 4.232 -3.761 -12.691 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.786 -2.078 -11.583 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.886 -1.306 -12.751 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.175 -1.558 -13.171 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.927 -4.385 -12.010 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.318 -3.865 -13.599 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.417 -5.259 -13.481 1.00 0.00 H new ATOM 614 N SER A 42 6.585 -2.310 -15.048 1.00 0.00 N ATOM 615 CA SER A 42 7.833 -1.641 -14.580 1.00 0.00 C ATOM 616 C SER A 42 7.907 -0.216 -15.137 1.00 0.00 C ATOM 617 O SER A 42 8.485 0.013 -16.180 1.00 0.00 O ATOM 618 CB SER A 42 8.972 -2.494 -15.135 1.00 0.00 C ATOM 619 OG SER A 42 9.065 -3.697 -14.384 1.00 0.00 O ATOM 0 H SER A 42 6.078 -1.818 -15.784 1.00 0.00 H new ATOM 0 HA SER A 42 7.878 -1.561 -13.494 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.794 -2.721 -16.186 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.912 -1.945 -15.082 1.00 0.00 H new ATOM 0 HG SER A 42 8.383 -3.697 -13.680 1.00 0.00 H new ATOM 625 N PRO A 43 7.316 0.694 -14.413 1.00 0.00 N ATOM 626 CA PRO A 43 7.313 2.117 -14.832 1.00 0.00 C ATOM 627 C PRO A 43 8.707 2.728 -14.663 1.00 0.00 C ATOM 628 O PRO A 43 9.698 2.027 -14.603 1.00 0.00 O ATOM 629 CB PRO A 43 6.311 2.768 -13.882 1.00 0.00 C ATOM 630 CG PRO A 43 6.296 1.885 -12.674 1.00 0.00 C ATOM 631 CD PRO A 43 6.605 0.488 -13.147 1.00 0.00 C ATOM 0 HA PRO A 43 7.049 2.255 -15.880 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.612 3.784 -13.625 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.322 2.834 -14.335 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.034 2.217 -11.944 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.324 1.920 -12.183 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.220 -0.051 -12.426 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.696 -0.096 -13.290 1.00 0.00 H new ATOM 639 N SER A 44 8.793 4.028 -14.587 1.00 0.00 N ATOM 640 CA SER A 44 10.125 4.678 -14.424 1.00 0.00 C ATOM 641 C SER A 44 10.145 5.532 -13.154 1.00 0.00 C ATOM 642 O SER A 44 9.117 5.928 -12.644 1.00 0.00 O ATOM 643 CB SER A 44 10.291 5.556 -15.663 1.00 0.00 C ATOM 644 OG SER A 44 9.415 5.097 -16.684 1.00 0.00 O ATOM 0 H SER A 44 8.000 4.668 -14.631 1.00 0.00 H new ATOM 0 HA SER A 44 10.931 3.950 -14.329 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.071 6.595 -15.419 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.323 5.522 -16.011 1.00 0.00 H new ATOM 0 HG SER A 44 9.518 5.659 -17.480 1.00 0.00 H new ATOM 650 N GLU A 45 11.310 5.819 -12.640 1.00 0.00 N ATOM 651 CA GLU A 45 11.396 6.649 -11.404 1.00 0.00 C ATOM 652 C GLU A 45 10.418 7.824 -11.491 1.00 0.00 C ATOM 653 O GLU A 45 9.498 7.939 -10.704 1.00 0.00 O ATOM 654 CB GLU A 45 12.838 7.152 -11.362 1.00 0.00 C ATOM 655 CG GLU A 45 13.770 6.002 -10.972 1.00 0.00 C ATOM 656 CD GLU A 45 14.175 6.149 -9.505 1.00 0.00 C ATOM 657 OE1 GLU A 45 14.792 7.149 -9.178 1.00 0.00 O ATOM 658 OE2 GLU A 45 13.863 5.258 -8.732 1.00 0.00 O ATOM 0 H GLU A 45 12.206 5.515 -13.022 1.00 0.00 H new ATOM 0 HA GLU A 45 11.138 6.085 -10.508 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.123 7.551 -12.335 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.929 7.967 -10.644 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.270 5.046 -11.128 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.656 6.006 -11.607 1.00 0.00 H new ATOM 665 N ALA A 46 10.609 8.697 -12.442 1.00 0.00 N ATOM 666 CA ALA A 46 9.687 9.861 -12.578 1.00 0.00 C ATOM 667 C ALA A 46 8.233 9.392 -12.484 1.00 0.00 C ATOM 668 O ALA A 46 7.432 9.959 -11.767 1.00 0.00 O ATOM 669 CB ALA A 46 9.978 10.437 -13.965 1.00 0.00 C ATOM 0 H ALA A 46 11.362 8.655 -13.129 1.00 0.00 H new ATOM 0 HA ALA A 46 9.834 10.602 -11.792 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.337 11.301 -14.142 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.023 10.743 -14.020 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.782 9.678 -14.723 1.00 0.00 H new ATOM 675 N GLU A 47 7.887 8.359 -13.201 1.00 0.00 N ATOM 676 CA GLU A 47 6.487 7.852 -13.150 1.00 0.00 C ATOM 677 C GLU A 47 6.117 7.478 -11.712 1.00 0.00 C ATOM 678 O GLU A 47 4.994 7.657 -11.283 1.00 0.00 O ATOM 679 CB GLU A 47 6.480 6.612 -14.046 1.00 0.00 C ATOM 680 CG GLU A 47 5.289 6.680 -15.003 1.00 0.00 C ATOM 681 CD GLU A 47 4.488 5.380 -14.915 1.00 0.00 C ATOM 682 OE1 GLU A 47 3.628 5.294 -14.053 1.00 0.00 O ATOM 683 OE2 GLU A 47 4.746 4.492 -15.712 1.00 0.00 O ATOM 0 H GLU A 47 8.513 7.844 -13.820 1.00 0.00 H new ATOM 0 HA GLU A 47 5.764 8.597 -13.483 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.411 6.553 -14.610 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.419 5.710 -13.437 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.654 7.529 -14.750 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.638 6.836 -16.024 1.00 0.00 H new ATOM 690 N VAL A 48 7.056 6.964 -10.965 1.00 0.00 N ATOM 691 CA VAL A 48 6.760 6.582 -9.554 1.00 0.00 C ATOM 692 C VAL A 48 6.526 7.836 -8.707 1.00 0.00 C ATOM 693 O VAL A 48 5.605 7.903 -7.919 1.00 0.00 O ATOM 694 CB VAL A 48 8.006 5.836 -9.074 1.00 0.00 C ATOM 695 CG1 VAL A 48 7.684 5.081 -7.784 1.00 0.00 C ATOM 696 CG2 VAL A 48 8.450 4.841 -10.149 1.00 0.00 C ATOM 0 H VAL A 48 8.014 6.792 -11.270 1.00 0.00 H new ATOM 0 HA VAL A 48 5.862 5.969 -9.471 1.00 0.00 H new ATOM 0 HB VAL A 48 8.807 6.551 -8.886 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.572 4.549 -7.442 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.367 5.789 -7.018 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.883 4.366 -7.971 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.338 4.309 -9.808 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.649 4.126 -10.337 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.680 5.378 -11.069 1.00 0.00 H new ATOM 706 N ASN A 49 7.355 8.832 -8.867 1.00 0.00 N ATOM 707 CA ASN A 49 7.180 10.082 -8.072 1.00 0.00 C ATOM 708 C ASN A 49 5.750 10.604 -8.220 1.00 0.00 C ATOM 709 O ASN A 49 5.074 10.875 -7.246 1.00 0.00 O ATOM 710 CB ASN A 49 8.178 11.074 -8.670 1.00 0.00 C ATOM 711 CG ASN A 49 8.160 12.369 -7.858 1.00 0.00 C ATOM 712 OD1 ASN A 49 7.117 12.810 -7.418 1.00 0.00 O ATOM 713 ND2 ASN A 49 9.279 13.003 -7.637 1.00 0.00 N ATOM 0 H ASN A 49 8.145 8.835 -9.513 1.00 0.00 H new ATOM 0 HA ASN A 49 7.352 9.923 -7.007 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.180 10.644 -8.667 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.923 11.281 -9.709 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.277 13.867 -7.096 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.156 12.634 -8.006 1.00 0.00 H new ATOM 720 N ASP A 50 5.281 10.746 -9.430 1.00 0.00 N ATOM 721 CA ASP A 50 3.893 11.248 -9.637 1.00 0.00 C ATOM 722 C ASP A 50 2.883 10.280 -9.015 1.00 0.00 C ATOM 723 O ASP A 50 1.937 10.685 -8.370 1.00 0.00 O ATOM 724 CB ASP A 50 3.717 11.308 -11.155 1.00 0.00 C ATOM 725 CG ASP A 50 3.545 12.764 -11.593 1.00 0.00 C ATOM 726 OD1 ASP A 50 2.927 13.514 -10.856 1.00 0.00 O ATOM 727 OD2 ASP A 50 4.034 13.103 -12.657 1.00 0.00 O ATOM 0 H ASP A 50 5.799 10.536 -10.283 1.00 0.00 H new ATOM 0 HA ASP A 50 3.730 12.219 -9.170 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.583 10.868 -11.650 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.848 10.722 -11.454 1.00 0.00 H new ATOM 732 N LEU A 51 3.079 9.004 -9.205 1.00 0.00 N ATOM 733 CA LEU A 51 2.131 8.010 -8.624 1.00 0.00 C ATOM 734 C LEU A 51 2.075 8.162 -7.102 1.00 0.00 C ATOM 735 O LEU A 51 1.020 8.117 -6.502 1.00 0.00 O ATOM 736 CB LEU A 51 2.705 6.646 -9.008 1.00 0.00 C ATOM 737 CG LEU A 51 1.944 6.092 -10.213 1.00 0.00 C ATOM 738 CD1 LEU A 51 2.738 4.942 -10.835 1.00 0.00 C ATOM 739 CD2 LEU A 51 0.575 5.578 -9.759 1.00 0.00 C ATOM 0 H LEU A 51 3.853 8.607 -9.737 1.00 0.00 H new ATOM 0 HA LEU A 51 1.114 8.142 -8.993 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.765 6.740 -9.246 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.627 5.957 -8.167 1.00 0.00 H new ATOM 0 HG LEU A 51 1.810 6.882 -10.952 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.195 4.548 -11.694 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.713 5.306 -11.158 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.873 4.152 -10.097 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.032 5.183 -10.617 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.710 4.788 -9.020 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.008 6.397 -9.316 1.00 0.00 H new ATOM 751 N MET A 52 3.205 8.341 -6.473 1.00 0.00 N ATOM 752 CA MET A 52 3.216 8.496 -4.989 1.00 0.00 C ATOM 753 C MET A 52 2.704 9.885 -4.599 1.00 0.00 C ATOM 754 O MET A 52 1.795 10.022 -3.805 1.00 0.00 O ATOM 755 CB MET A 52 4.681 8.332 -4.585 1.00 0.00 C ATOM 756 CG MET A 52 5.129 6.895 -4.859 1.00 0.00 C ATOM 757 SD MET A 52 4.459 5.800 -3.585 1.00 0.00 S ATOM 758 CE MET A 52 3.579 4.673 -4.693 1.00 0.00 C ATOM 0 H MET A 52 4.120 8.387 -6.921 1.00 0.00 H new ATOM 0 HA MET A 52 2.573 7.770 -4.493 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.304 9.031 -5.144 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.806 8.568 -3.528 1.00 0.00 H new ATOM 0 HG2 MET A 52 4.786 6.577 -5.844 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.217 6.838 -4.867 1.00 0.00 H new ATOM 0 HE1 MET A 52 3.852 3.644 -4.458 1.00 0.00 H new ATOM 0 HE2 MET A 52 2.504 4.802 -4.564 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.850 4.893 -5.726 1.00 0.00 H new ATOM 768 N ASN A 53 3.281 10.917 -5.152 1.00 0.00 N ATOM 769 CA ASN A 53 2.826 12.296 -4.813 1.00 0.00 C ATOM 770 C ASN A 53 1.301 12.387 -4.903 1.00 0.00 C ATOM 771 O ASN A 53 0.680 13.215 -4.267 1.00 0.00 O ATOM 772 CB ASN A 53 3.481 13.198 -5.859 1.00 0.00 C ATOM 773 CG ASN A 53 4.331 14.260 -5.159 1.00 0.00 C ATOM 774 OD1 ASN A 53 5.002 13.974 -4.188 1.00 0.00 O ATOM 775 ND2 ASN A 53 4.330 15.483 -5.614 1.00 0.00 N ATOM 0 H ASN A 53 4.047 10.865 -5.823 1.00 0.00 H new ATOM 0 HA ASN A 53 3.101 12.584 -3.798 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.102 12.604 -6.529 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.717 13.675 -6.472 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.893 16.199 -5.154 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.766 15.723 -6.430 1.00 0.00 H new ATOM 782 N GLU A 54 0.692 11.543 -5.690 1.00 0.00 N ATOM 783 CA GLU A 54 -0.792 11.582 -5.821 1.00 0.00 C ATOM 784 C GLU A 54 -1.447 10.884 -4.626 1.00 0.00 C ATOM 785 O GLU A 54 -2.623 11.048 -4.367 1.00 0.00 O ATOM 786 CB GLU A 54 -1.096 10.828 -7.115 1.00 0.00 C ATOM 787 CG GLU A 54 -1.153 11.816 -8.281 1.00 0.00 C ATOM 788 CD GLU A 54 -2.183 12.907 -7.976 1.00 0.00 C ATOM 789 OE1 GLU A 54 -3.195 12.586 -7.375 1.00 0.00 O ATOM 790 OE2 GLU A 54 -1.940 14.043 -8.350 1.00 0.00 O ATOM 0 H GLU A 54 1.158 10.828 -6.248 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.178 12.601 -5.844 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.329 10.076 -7.299 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.045 10.299 -7.026 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.172 12.262 -8.442 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.421 11.295 -9.200 1.00 0.00 H new ATOM 797 N ILE A 55 -0.696 10.107 -3.895 1.00 0.00 N ATOM 798 CA ILE A 55 -1.277 9.400 -2.717 1.00 0.00 C ATOM 799 C ILE A 55 -0.484 9.738 -1.452 1.00 0.00 C ATOM 800 O ILE A 55 -1.006 9.714 -0.356 1.00 0.00 O ATOM 801 CB ILE A 55 -1.151 7.912 -3.047 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.516 7.086 -1.812 1.00 0.00 C ATOM 803 CG2 ILE A 55 0.288 7.600 -3.460 1.00 0.00 C ATOM 804 CD1 ILE A 55 -1.313 5.600 -2.114 1.00 0.00 C ATOM 0 H ILE A 55 0.295 9.931 -4.062 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.311 9.691 -2.530 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.826 7.663 -3.866 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.897 7.384 -0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.552 7.272 -1.530 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.377 6.539 -3.695 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.550 8.190 -4.338 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.963 7.848 -2.641 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.573 5.011 -1.234 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.951 5.308 -2.948 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.270 5.421 -2.375 1.00 0.00 H new ATOM 816 N ASP A 56 0.774 10.054 -1.597 1.00 0.00 N ATOM 817 CA ASP A 56 1.600 10.393 -0.401 1.00 0.00 C ATOM 818 C ASP A 56 1.140 11.724 0.199 1.00 0.00 C ATOM 819 O ASP A 56 1.125 12.743 -0.464 1.00 0.00 O ATOM 820 CB ASP A 56 3.031 10.508 -0.927 1.00 0.00 C ATOM 821 CG ASP A 56 4.004 9.952 0.114 1.00 0.00 C ATOM 822 OD1 ASP A 56 4.097 10.536 1.180 1.00 0.00 O ATOM 823 OD2 ASP A 56 4.639 8.951 -0.173 1.00 0.00 O ATOM 0 H ASP A 56 1.266 10.092 -2.490 1.00 0.00 H new ATOM 0 HA ASP A 56 1.514 9.644 0.386 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.131 9.959 -1.863 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.268 11.550 -1.142 1.00 0.00 H new ATOM 828 N VAL A 57 0.764 11.724 1.449 1.00 0.00 N ATOM 829 CA VAL A 57 0.306 12.991 2.089 1.00 0.00 C ATOM 830 C VAL A 57 1.296 13.423 3.174 1.00 0.00 C ATOM 831 O VAL A 57 1.114 14.429 3.830 1.00 0.00 O ATOM 832 CB VAL A 57 -1.051 12.653 2.706 1.00 0.00 C ATOM 833 CG1 VAL A 57 -0.898 11.469 3.662 1.00 0.00 C ATOM 834 CG2 VAL A 57 -1.575 13.866 3.478 1.00 0.00 C ATOM 0 H VAL A 57 0.754 10.903 2.054 1.00 0.00 H new ATOM 0 HA VAL A 57 0.237 13.813 1.377 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.754 12.392 1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.866 11.229 4.101 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.524 10.605 3.114 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.195 11.729 4.453 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.543 13.627 3.919 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.871 14.126 4.268 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.685 14.710 2.798 1.00 0.00 H new ATOM 844 N ASP A 58 2.345 12.670 3.367 1.00 0.00 N ATOM 845 CA ASP A 58 3.346 13.038 4.410 1.00 0.00 C ATOM 846 C ASP A 58 4.684 12.351 4.124 1.00 0.00 C ATOM 847 O ASP A 58 5.701 12.995 3.962 1.00 0.00 O ATOM 848 CB ASP A 58 2.752 12.533 5.725 1.00 0.00 C ATOM 849 CG ASP A 58 2.301 13.722 6.573 1.00 0.00 C ATOM 850 OD1 ASP A 58 1.966 14.744 5.995 1.00 0.00 O ATOM 851 OD2 ASP A 58 2.297 13.593 7.786 1.00 0.00 O ATOM 0 H ASP A 58 2.552 11.817 2.848 1.00 0.00 H new ATOM 0 HA ASP A 58 3.540 14.110 4.437 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.907 11.874 5.525 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.492 11.946 6.268 1.00 0.00 H new ATOM 856 N GLY A 59 4.691 11.048 4.062 1.00 0.00 N ATOM 857 CA GLY A 59 5.963 10.321 3.788 1.00 0.00 C ATOM 858 C GLY A 59 5.755 8.823 4.014 1.00 0.00 C ATOM 859 O GLY A 59 5.753 8.039 3.085 1.00 0.00 O ATOM 0 H GLY A 59 3.871 10.455 4.189 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.285 10.503 2.763 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.754 10.691 4.441 1.00 0.00 H new ATOM 863 N ASN A 60 5.579 8.417 5.241 1.00 0.00 N ATOM 864 CA ASN A 60 5.369 6.968 5.525 1.00 0.00 C ATOM 865 C ASN A 60 3.895 6.697 5.834 1.00 0.00 C ATOM 866 O ASN A 60 3.546 6.259 6.913 1.00 0.00 O ATOM 867 CB ASN A 60 6.237 6.675 6.751 1.00 0.00 C ATOM 868 CG ASN A 60 6.428 5.164 6.892 1.00 0.00 C ATOM 869 OD1 ASN A 60 5.515 4.457 7.269 1.00 0.00 O ATOM 870 ND2 ASN A 60 7.585 4.636 6.603 1.00 0.00 N ATOM 0 H ASN A 60 5.571 9.025 6.060 1.00 0.00 H new ATOM 0 HA ASN A 60 5.636 6.338 4.676 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.205 7.167 6.651 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.766 7.078 7.648 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.723 3.629 6.694 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.352 5.230 6.286 1.00 0.00 H new ATOM 877 N HIS A 61 3.026 6.954 4.894 1.00 0.00 N ATOM 878 CA HIS A 61 1.575 6.711 5.135 1.00 0.00 C ATOM 879 C HIS A 61 1.244 5.229 4.929 1.00 0.00 C ATOM 880 O HIS A 61 2.063 4.459 4.469 1.00 0.00 O ATOM 881 CB HIS A 61 0.852 7.571 4.097 1.00 0.00 C ATOM 882 CG HIS A 61 1.026 6.964 2.732 1.00 0.00 C ATOM 883 ND1 HIS A 61 2.001 6.015 2.464 1.00 0.00 N ATOM 884 CD2 HIS A 61 0.359 7.159 1.548 1.00 0.00 C ATOM 885 CE1 HIS A 61 1.893 5.678 1.165 1.00 0.00 C ATOM 886 NE2 HIS A 61 0.907 6.347 0.560 1.00 0.00 N ATOM 0 H HIS A 61 3.258 7.321 3.971 1.00 0.00 H new ATOM 0 HA HIS A 61 1.278 6.964 6.153 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.208 7.642 4.343 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.250 8.586 4.109 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.677 5.640 3.130 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.467 7.840 1.405 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.526 4.955 0.672 1.00 0.00 H new ATOM 894 N GLN A 62 0.049 4.827 5.264 1.00 0.00 N ATOM 895 CA GLN A 62 -0.333 3.396 5.086 1.00 0.00 C ATOM 896 C GLN A 62 -1.288 3.251 3.898 1.00 0.00 C ATOM 897 O GLN A 62 -2.453 3.587 3.980 1.00 0.00 O ATOM 898 CB GLN A 62 -1.033 3.007 6.388 1.00 0.00 C ATOM 899 CG GLN A 62 -2.106 4.045 6.723 1.00 0.00 C ATOM 900 CD GLN A 62 -1.566 5.015 7.776 1.00 0.00 C ATOM 901 OE1 GLN A 62 -1.322 6.169 7.487 1.00 0.00 O ATOM 902 NE2 GLN A 62 -1.371 4.592 8.995 1.00 0.00 N ATOM 0 H GLN A 62 -0.679 5.426 5.653 1.00 0.00 H new ATOM 0 HA GLN A 62 0.528 2.760 4.882 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.485 2.020 6.289 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.307 2.945 7.199 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.393 4.590 5.824 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.003 3.550 7.095 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.576 3.623 9.237 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.014 5.231 9.705 1.00 0.00 H new ATOM 911 N ILE A 63 -0.804 2.755 2.792 1.00 0.00 N ATOM 912 CA ILE A 63 -1.684 2.591 1.600 1.00 0.00 C ATOM 913 C ILE A 63 -2.704 1.476 1.844 1.00 0.00 C ATOM 914 O ILE A 63 -2.473 0.567 2.616 1.00 0.00 O ATOM 915 CB ILE A 63 -0.741 2.212 0.459 1.00 0.00 C ATOM 916 CG1 ILE A 63 0.236 3.361 0.203 1.00 0.00 C ATOM 917 CG2 ILE A 63 -1.554 1.944 -0.808 1.00 0.00 C ATOM 918 CD1 ILE A 63 1.191 2.976 -0.928 1.00 0.00 C ATOM 0 H ILE A 63 0.163 2.456 2.662 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.249 3.496 1.378 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.185 1.315 0.730 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.311 4.266 -0.061 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.799 3.582 1.110 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.881 1.674 -1.622 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.251 1.126 -0.627 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.110 2.841 -1.080 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.887 3.794 -1.111 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.748 2.082 -0.646 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.620 2.777 -1.835 1.00 0.00 H new ATOM 930 N GLU A 64 -3.831 1.537 1.188 1.00 0.00 N ATOM 931 CA GLU A 64 -4.864 0.480 1.379 1.00 0.00 C ATOM 932 C GLU A 64 -5.115 -0.253 0.059 1.00 0.00 C ATOM 933 O GLU A 64 -5.310 0.357 -0.973 1.00 0.00 O ATOM 934 CB GLU A 64 -6.120 1.229 1.824 1.00 0.00 C ATOM 935 CG GLU A 64 -6.484 0.814 3.251 1.00 0.00 C ATOM 936 CD GLU A 64 -7.879 0.187 3.261 1.00 0.00 C ATOM 937 OE1 GLU A 64 -8.058 -0.823 2.601 1.00 0.00 O ATOM 938 OE2 GLU A 64 -8.745 0.728 3.929 1.00 0.00 O ATOM 0 H GLU A 64 -4.081 2.273 0.528 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.559 -0.271 2.108 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.950 2.305 1.779 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.946 1.009 1.148 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.751 0.103 3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.459 1.681 3.911 1.00 0.00 H new ATOM 945 N PHE A 65 -5.110 -1.559 0.083 1.00 0.00 N ATOM 946 CA PHE A 65 -5.346 -2.327 -1.173 1.00 0.00 C ATOM 947 C PHE A 65 -6.490 -1.696 -1.973 1.00 0.00 C ATOM 948 O PHE A 65 -6.414 -1.556 -3.177 1.00 0.00 O ATOM 949 CB PHE A 65 -5.728 -3.734 -0.711 1.00 0.00 C ATOM 950 CG PHE A 65 -5.883 -4.631 -1.915 1.00 0.00 C ATOM 951 CD1 PHE A 65 -4.834 -4.759 -2.834 1.00 0.00 C ATOM 952 CD2 PHE A 65 -7.076 -5.336 -2.114 1.00 0.00 C ATOM 953 CE1 PHE A 65 -4.977 -5.590 -3.950 1.00 0.00 C ATOM 954 CE2 PHE A 65 -7.220 -6.167 -3.231 1.00 0.00 C ATOM 955 CZ PHE A 65 -6.171 -6.295 -4.148 1.00 0.00 C ATOM 0 H PHE A 65 -4.953 -2.126 0.916 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.471 -2.334 -1.823 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.962 -4.130 -0.044 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.659 -3.703 -0.145 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.913 -4.215 -2.681 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.885 -5.239 -1.406 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.168 -5.688 -4.658 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.141 -6.710 -3.385 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.282 -6.938 -5.009 1.00 0.00 H new ATOM 965 N SER A 66 -7.548 -1.313 -1.311 1.00 0.00 N ATOM 966 CA SER A 66 -8.693 -0.690 -2.035 1.00 0.00 C ATOM 967 C SER A 66 -8.220 0.542 -2.812 1.00 0.00 C ATOM 968 O SER A 66 -8.068 0.509 -4.016 1.00 0.00 O ATOM 969 CB SER A 66 -9.681 -0.287 -0.941 1.00 0.00 C ATOM 970 OG SER A 66 -10.442 -1.424 -0.555 1.00 0.00 O ATOM 0 H SER A 66 -7.669 -1.404 -0.302 1.00 0.00 H new ATOM 0 HA SER A 66 -9.142 -1.369 -2.760 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.145 0.116 -0.081 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.341 0.501 -1.303 1.00 0.00 H new ATOM 0 HG SER A 66 -11.076 -1.170 0.148 1.00 0.00 H new ATOM 976 N GLU A 67 -7.982 1.628 -2.129 1.00 0.00 N ATOM 977 CA GLU A 67 -7.517 2.861 -2.829 1.00 0.00 C ATOM 978 C GLU A 67 -6.374 2.522 -3.790 1.00 0.00 C ATOM 979 O GLU A 67 -6.347 2.967 -4.920 1.00 0.00 O ATOM 980 CB GLU A 67 -7.026 3.786 -1.713 1.00 0.00 C ATOM 981 CG GLU A 67 -6.155 4.893 -2.310 1.00 0.00 C ATOM 982 CD GLU A 67 -4.696 4.670 -1.906 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.470 3.940 -0.955 1.00 0.00 O ATOM 984 OE2 GLU A 67 -3.830 5.233 -2.556 1.00 0.00 O ATOM 0 H GLU A 67 -8.089 1.716 -1.118 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.305 3.323 -3.424 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.876 4.222 -1.188 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.456 3.216 -0.979 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.246 4.896 -3.396 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.496 5.867 -1.959 1.00 0.00 H new ATOM 991 N PHE A 68 -5.430 1.735 -3.350 1.00 0.00 N ATOM 992 CA PHE A 68 -4.291 1.367 -4.238 1.00 0.00 C ATOM 993 C PHE A 68 -4.801 1.043 -5.645 1.00 0.00 C ATOM 994 O PHE A 68 -4.511 1.738 -6.598 1.00 0.00 O ATOM 995 CB PHE A 68 -3.669 0.129 -3.591 1.00 0.00 C ATOM 996 CG PHE A 68 -2.759 -0.560 -4.581 1.00 0.00 C ATOM 997 CD1 PHE A 68 -2.128 0.181 -5.587 1.00 0.00 C ATOM 998 CD2 PHE A 68 -2.543 -1.941 -4.490 1.00 0.00 C ATOM 999 CE1 PHE A 68 -1.285 -0.458 -6.505 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -1.699 -2.580 -5.406 1.00 0.00 C ATOM 1001 CZ PHE A 68 -1.070 -1.839 -6.413 1.00 0.00 C ATOM 0 H PHE A 68 -5.398 1.331 -2.414 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.569 2.177 -4.343 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.106 0.415 -2.703 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.452 -0.555 -3.265 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.291 1.246 -5.655 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.028 -2.513 -3.713 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.801 0.114 -7.283 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.533 -3.645 -5.336 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.419 -2.332 -7.119 1.00 0.00 H new ATOM 1011 N LEU A 69 -5.559 -0.011 -5.782 1.00 0.00 N ATOM 1012 CA LEU A 69 -6.086 -0.381 -7.128 1.00 0.00 C ATOM 1013 C LEU A 69 -7.120 0.648 -7.594 1.00 0.00 C ATOM 1014 O LEU A 69 -7.134 1.052 -8.739 1.00 0.00 O ATOM 1015 CB LEU A 69 -6.739 -1.750 -6.931 1.00 0.00 C ATOM 1016 CG LEU A 69 -5.719 -2.850 -7.232 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.400 -2.537 -6.522 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -6.257 -4.192 -6.733 1.00 0.00 C ATOM 0 H LEU A 69 -5.836 -0.632 -5.021 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.304 -0.407 -7.887 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.103 -1.847 -5.908 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.603 -1.851 -7.588 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.548 -2.900 -8.307 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.675 -3.322 -6.738 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.015 -1.580 -6.875 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.569 -2.485 -5.446 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.532 -4.977 -6.947 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.428 -4.138 -5.658 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.196 -4.418 -7.239 1.00 0.00 H new ATOM 1030 N ALA A 70 -7.984 1.076 -6.715 1.00 0.00 N ATOM 1031 CA ALA A 70 -9.015 2.078 -7.111 1.00 0.00 C ATOM 1032 C ALA A 70 -8.360 3.236 -7.871 1.00 0.00 C ATOM 1033 O ALA A 70 -8.984 3.892 -8.681 1.00 0.00 O ATOM 1034 CB ALA A 70 -9.613 2.572 -5.793 1.00 0.00 C ATOM 0 H ALA A 70 -8.021 0.776 -5.741 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.774 1.654 -7.769 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.383 3.315 -5.999 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.054 1.732 -5.256 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.829 3.021 -5.183 1.00 0.00 H new ATOM 1040 N LEU A 71 -7.106 3.492 -7.615 1.00 0.00 N ATOM 1041 CA LEU A 71 -6.412 4.606 -8.322 1.00 0.00 C ATOM 1042 C LEU A 71 -5.417 4.047 -9.343 1.00 0.00 C ATOM 1043 O LEU A 71 -5.192 4.628 -10.387 1.00 0.00 O ATOM 1044 CB LEU A 71 -5.678 5.376 -7.224 1.00 0.00 C ATOM 1045 CG LEU A 71 -6.655 6.319 -6.521 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -7.895 5.538 -6.082 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -5.977 6.931 -5.293 1.00 0.00 C ATOM 0 H LEU A 71 -6.532 2.978 -6.947 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.106 5.242 -8.871 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.246 4.681 -6.504 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.853 5.944 -7.653 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.951 7.112 -7.208 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.591 6.211 -5.581 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.378 5.101 -6.956 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.601 4.744 -5.396 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.672 7.604 -4.791 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.681 6.137 -4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.094 7.489 -5.605 1.00 0.00 H new ATOM 1059 N MET A 72 -4.819 2.925 -9.051 1.00 0.00 N ATOM 1060 CA MET A 72 -3.839 2.330 -10.006 1.00 0.00 C ATOM 1061 C MET A 72 -4.499 2.102 -11.368 1.00 0.00 C ATOM 1062 O MET A 72 -3.834 1.983 -12.378 1.00 0.00 O ATOM 1063 CB MET A 72 -3.431 0.998 -9.377 1.00 0.00 C ATOM 1064 CG MET A 72 -2.009 0.640 -9.817 1.00 0.00 C ATOM 1065 SD MET A 72 -2.032 0.086 -11.540 1.00 0.00 S ATOM 1066 CE MET A 72 -0.664 1.115 -12.127 1.00 0.00 C ATOM 0 H MET A 72 -4.966 2.394 -8.193 1.00 0.00 H new ATOM 0 HA MET A 72 -2.980 2.980 -10.175 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.480 1.067 -8.290 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.125 0.213 -9.679 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.355 1.506 -9.711 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.605 -0.145 -9.177 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.052 1.903 -12.772 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.153 1.562 -11.274 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.039 0.500 -12.689 1.00 0.00 H new ATOM 1076 N SER A 73 -5.802 2.039 -11.404 1.00 0.00 N ATOM 1077 CA SER A 73 -6.502 1.818 -12.702 1.00 0.00 C ATOM 1078 C SER A 73 -6.052 2.859 -13.730 1.00 0.00 C ATOM 1079 O SER A 73 -6.220 2.682 -14.920 1.00 0.00 O ATOM 1080 CB SER A 73 -7.987 1.986 -12.384 1.00 0.00 C ATOM 1081 OG SER A 73 -8.741 1.074 -13.173 1.00 0.00 O ATOM 0 H SER A 73 -6.412 2.131 -10.592 1.00 0.00 H new ATOM 0 HA SER A 73 -6.284 0.838 -13.127 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.167 1.804 -11.325 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.302 3.009 -12.589 1.00 0.00 H new ATOM 0 HG SER A 73 -9.694 1.177 -12.971 1.00 0.00 H new ATOM 1087 N ARG A 74 -5.481 3.943 -13.281 1.00 0.00 N ATOM 1088 CA ARG A 74 -5.021 4.994 -14.233 1.00 0.00 C ATOM 1089 C ARG A 74 -4.321 4.349 -15.434 1.00 0.00 C ATOM 1090 O ARG A 74 -4.292 4.900 -16.517 1.00 0.00 O ATOM 1091 CB ARG A 74 -4.037 5.849 -13.435 1.00 0.00 C ATOM 1092 CG ARG A 74 -4.705 7.170 -13.049 1.00 0.00 C ATOM 1093 CD ARG A 74 -5.050 7.958 -14.315 1.00 0.00 C ATOM 1094 NE ARG A 74 -6.538 7.990 -14.353 1.00 0.00 N ATOM 1095 CZ ARG A 74 -7.168 7.763 -15.473 1.00 0.00 C ATOM 1096 NH1 ARG A 74 -6.740 8.302 -16.582 1.00 0.00 N ATOM 1097 NH2 ARG A 74 -8.226 6.999 -15.485 1.00 0.00 N ATOM 0 H ARG A 74 -5.313 4.147 -12.296 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.848 5.585 -14.627 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.718 5.315 -12.540 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.142 6.041 -14.027 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.609 6.977 -12.471 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.039 7.755 -12.414 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.634 8.965 -14.279 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.642 7.476 -15.204 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.065 8.189 -13.503 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.914 8.900 -16.573 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.232 8.125 -17.458 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.561 6.579 -14.618 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.718 6.822 -16.361 1.00 0.00 H new ATOM 1111 N GLN A 75 -3.758 3.187 -15.250 1.00 0.00 N ATOM 1112 CA GLN A 75 -3.061 2.509 -16.381 1.00 0.00 C ATOM 1113 C GLN A 75 -2.584 1.119 -15.952 1.00 0.00 C ATOM 1114 O GLN A 75 -2.565 0.793 -14.782 1.00 0.00 O ATOM 1115 CB GLN A 75 -1.868 3.408 -16.707 1.00 0.00 C ATOM 1116 CG GLN A 75 -1.045 3.645 -15.440 1.00 0.00 C ATOM 1117 CD GLN A 75 0.224 4.423 -15.792 1.00 0.00 C ATOM 1118 OE1 GLN A 75 0.814 4.208 -16.834 1.00 0.00 O ATOM 1119 NE2 GLN A 75 0.674 5.325 -14.963 1.00 0.00 N ATOM 0 H GLN A 75 -3.750 2.677 -14.367 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.713 2.368 -17.243 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.248 2.944 -17.474 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -2.216 4.359 -17.111 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.634 4.201 -14.710 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.784 2.692 -14.980 1.00 0.00 H new ATOM 0 HE21 GLN A 75 0.180 5.506 -14.089 1.00 0.00 H new ATOM 0 HE22 GLN A 75 1.520 5.849 -15.189 1.00 0.00 H new ATOM 1128 N LEU A 76 -2.200 0.297 -16.890 1.00 0.00 N ATOM 1129 CA LEU A 76 -1.726 -1.071 -16.535 1.00 0.00 C ATOM 1130 C LEU A 76 -1.146 -1.768 -17.768 1.00 0.00 C ATOM 1131 O LEU A 76 -0.091 -2.369 -17.717 1.00 0.00 O ATOM 1132 CB LEU A 76 -2.971 -1.807 -16.039 1.00 0.00 C ATOM 1133 CG LEU A 76 -2.585 -2.762 -14.909 1.00 0.00 C ATOM 1134 CD1 LEU A 76 -3.716 -2.821 -13.881 1.00 0.00 C ATOM 1135 CD2 LEU A 76 -2.348 -4.161 -15.485 1.00 0.00 C ATOM 0 H LEU A 76 -2.194 0.513 -17.887 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.938 -1.051 -15.782 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.713 -1.091 -15.686 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.428 -2.362 -16.858 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.675 -2.406 -14.427 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.441 -3.502 -13.076 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.888 -1.826 -13.472 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.627 -3.178 -14.362 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.073 -4.844 -14.681 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.260 -4.516 -15.966 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.543 -4.121 -16.219 1.00 0.00 H new ATOM 1147 N LYS A 77 -1.827 -1.692 -18.879 1.00 0.00 N ATOM 1148 CA LYS A 77 -1.315 -2.350 -20.115 1.00 0.00 C ATOM 1149 C LYS A 77 -1.047 -1.303 -21.199 1.00 0.00 C ATOM 1150 O LYS A 77 -1.988 -0.634 -21.595 1.00 0.00 O ATOM 1151 CB LYS A 77 -2.431 -3.300 -20.550 1.00 0.00 C ATOM 1152 CG LYS A 77 -1.905 -4.736 -20.561 1.00 0.00 C ATOM 1153 CD LYS A 77 -3.039 -5.698 -20.198 1.00 0.00 C ATOM 1154 CE LYS A 77 -2.888 -6.138 -18.740 1.00 0.00 C ATOM 1155 NZ LYS A 77 -3.570 -7.460 -18.666 1.00 0.00 N ATOM 1156 OXT LYS A 77 0.093 -1.188 -21.616 1.00 0.00 O ATOM 0 H LYS A 77 -2.716 -1.203 -18.984 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.376 -2.877 -19.944 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.279 -3.217 -19.870 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.790 -3.026 -21.542 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.507 -4.981 -21.546 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.085 -4.840 -19.851 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -4.004 -5.212 -20.344 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.017 -6.567 -20.855 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.838 -6.219 -18.458 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.346 -5.419 -18.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -3.480 -7.844 -17.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.577 -7.345 -18.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.130 -8.116 -19.343 1.00 0.00 H new TER 1170 LYS A 77