USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 486 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 77 SER OG : rot -141:sc= -1.19 USER MOD Set 1.2: A 97 TYR OH : rot -46:sc= 0.518 USER MOD Set 2.1: A 33 ASN : amide:sc= 0 K(o=-0.51,f=-1) USER MOD Set 2.2: A 34 HIS : no HD1:sc= -0.514 K(o=-0.51,f=-1.4) USER MOD Set 3.1: A 10 TYR OH : rot 180:sc= -0.407 USER MOD Set 3.2: A 14 LYS NZ :NH3+ -133:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 67:sc= 0.432 USER MOD Single : A 13 MET CE :methyl 162:sc= -0.478 (180deg=-1.04) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.106 USER MOD Single : A 18 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 24 ASN :FLIP amide:sc= 0.112 F(o=-1.1,f=0.11) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 160:sc= -3.29! USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00787 USER MOD Single : A 39 ASN : amide:sc= -0.0853 K(o=-0.085,f=-0.7) USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -72:sc= 0.101 USER MOD Single : A 48 ASN :FLIP amide:sc= 0 F(o=-1.3!,f=0) USER MOD Single : A 49 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 MET CE :methyl -134:sc= -0.415 (180deg=-4.04!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -66:sc= -1.05! USER MOD Single : A 66 ASN : amide:sc= -0.0296 K(o=-0.03,f=-1.2!) USER MOD Single : A 69 TYR OH : rot 117:sc= 0.00409 USER MOD Single : A 71 GLN : amide:sc= -0.599 X(o=-0.6,f=-0.47) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 87 ASN :FLIP amide:sc=-0.00286 F(o=-0.61,f=-0.0029) USER MOD Single : A 92 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 5 11.642 -12.249 0.384 1.00 0.00 N ATOM 2 CA ASP A 5 12.262 -10.954 0.637 1.00 0.00 C ATOM 3 C ASP A 5 11.267 -9.823 0.403 1.00 0.00 C ATOM 4 O ASP A 5 10.521 -9.834 -0.577 1.00 0.00 O ATOM 5 CB ASP A 5 13.485 -10.768 -0.263 1.00 0.00 C ATOM 6 CG ASP A 5 14.519 -9.842 0.349 1.00 0.00 C ATOM 7 OD1 ASP A 5 14.374 -8.611 0.199 1.00 0.00 O ATOM 8 OD2 ASP A 5 15.471 -10.348 0.978 1.00 0.00 O ATOM 0 HA ASP A 5 12.579 -10.926 1.679 1.00 0.00 H new ATOM 0 HB2 ASP A 5 13.941 -11.739 -0.457 1.00 0.00 H new ATOM 0 HB3 ASP A 5 13.167 -10.367 -1.225 1.00 0.00 H new ATOM 11 N LEU A 6 11.257 -8.852 1.310 1.00 0.00 N ATOM 12 CA LEU A 6 10.349 -7.716 1.201 1.00 0.00 C ATOM 13 C LEU A 6 10.702 -6.844 0.000 1.00 0.00 C ATOM 14 O LEU A 6 9.825 -6.247 -0.624 1.00 0.00 O ATOM 15 CB LEU A 6 10.388 -6.881 2.482 1.00 0.00 C ATOM 16 CG LEU A 6 9.426 -7.339 3.579 1.00 0.00 C ATOM 17 CD1 LEU A 6 9.827 -6.750 4.922 1.00 0.00 C ATOM 18 CD2 LEU A 6 7.998 -6.950 3.230 1.00 0.00 C ATOM 0 H LEU A 6 11.866 -8.829 2.128 1.00 0.00 H new ATOM 0 HA LEU A 6 9.341 -8.104 1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 6 11.403 -6.898 2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.162 -5.845 2.230 1.00 0.00 H new ATOM 0 HG LEU A 6 9.479 -8.425 3.652 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.131 -7.087 5.690 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.835 -7.078 5.177 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.803 -5.662 4.864 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.326 -7.283 4.021 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.930 -5.867 3.129 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.712 -7.421 2.289 1.00 0.00 H new ATOM 28 N GLY A 7 11.991 -6.776 -0.317 1.00 0.00 N ATOM 29 CA GLY A 7 12.437 -5.974 -1.442 1.00 0.00 C ATOM 30 C GLY A 7 11.974 -6.535 -2.771 1.00 0.00 C ATOM 31 O GLY A 7 11.610 -5.785 -3.677 1.00 0.00 O ATOM 0 H GLY A 7 12.735 -7.262 0.185 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.063 -4.956 -1.330 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.525 -5.916 -1.435 1.00 0.00 H new ATOM 35 N ALA A 8 11.985 -7.860 -2.889 1.00 0.00 N ATOM 36 CA ALA A 8 11.562 -8.524 -4.117 1.00 0.00 C ATOM 37 C ALA A 8 10.073 -8.317 -4.364 1.00 0.00 C ATOM 38 O ALA A 8 9.669 -7.879 -5.440 1.00 0.00 O ATOM 39 CB ALA A 8 11.889 -10.007 -4.057 1.00 0.00 C ATOM 0 H ALA A 8 12.283 -8.495 -2.148 1.00 0.00 H new ATOM 0 HA ALA A 8 12.108 -8.079 -4.949 1.00 0.00 H new ATOM 0 HB1 ALA A 8 11.567 -10.488 -4.981 1.00 0.00 H new ATOM 0 HB2 ALA A 8 12.964 -10.138 -3.935 1.00 0.00 H new ATOM 0 HB3 ALA A 8 11.370 -10.460 -3.212 1.00 0.00 H new ATOM 45 N LEU A 9 9.262 -8.633 -3.357 1.00 0.00 N ATOM 46 CA LEU A 9 7.815 -8.481 -3.464 1.00 0.00 C ATOM 47 C LEU A 9 7.447 -7.040 -3.795 1.00 0.00 C ATOM 48 O LEU A 9 6.623 -6.789 -4.673 1.00 0.00 O ATOM 49 CB LEU A 9 7.132 -8.909 -2.166 1.00 0.00 C ATOM 50 CG LEU A 9 5.604 -8.897 -2.212 1.00 0.00 C ATOM 51 CD1 LEU A 9 5.062 -10.308 -2.365 1.00 0.00 C ATOM 52 CD2 LEU A 9 5.043 -8.239 -0.962 1.00 0.00 C ATOM 0 H LEU A 9 9.583 -8.995 -2.459 1.00 0.00 H new ATOM 0 HA LEU A 9 7.468 -9.124 -4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.466 -9.915 -1.911 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.463 -8.250 -1.363 1.00 0.00 H new ATOM 0 HG LEU A 9 5.288 -8.316 -3.079 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.973 -10.278 -2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.439 -10.744 -3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.385 -10.915 -1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.954 -8.238 -1.009 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.368 -8.794 -0.082 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.405 -7.213 -0.898 1.00 0.00 H new ATOM 62 N TYR A 10 8.069 -6.099 -3.091 1.00 0.00 N ATOM 63 CA TYR A 10 7.811 -4.682 -3.319 1.00 0.00 C ATOM 64 C TYR A 10 8.061 -4.330 -4.781 1.00 0.00 C ATOM 65 O TYR A 10 7.259 -3.639 -5.414 1.00 0.00 O ATOM 66 CB TYR A 10 8.699 -3.826 -2.410 1.00 0.00 C ATOM 67 CG TYR A 10 8.723 -2.359 -2.785 1.00 0.00 C ATOM 68 CD1 TYR A 10 7.746 -1.485 -2.324 1.00 0.00 C ATOM 69 CD2 TYR A 10 9.722 -1.854 -3.608 1.00 0.00 C ATOM 70 CE1 TYR A 10 7.765 -0.145 -2.673 1.00 0.00 C ATOM 71 CE2 TYR A 10 9.749 -0.519 -3.961 1.00 0.00 C ATOM 72 CZ TYR A 10 8.768 0.332 -3.490 1.00 0.00 C ATOM 73 OH TYR A 10 8.793 1.662 -3.841 1.00 0.00 O ATOM 0 H TYR A 10 8.753 -6.292 -2.360 1.00 0.00 H new ATOM 0 HA TYR A 10 6.767 -4.476 -3.082 1.00 0.00 H new ATOM 0 HB2 TYR A 10 8.351 -3.923 -1.382 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.716 -4.216 -2.440 1.00 0.00 H new ATOM 0 HD1 TYR A 10 6.960 -1.856 -1.684 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.490 -2.517 -3.978 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.999 0.522 -2.307 1.00 0.00 H new ATOM 0 HE2 TYR A 10 10.533 -0.142 -4.602 1.00 0.00 H new ATOM 0 HH TYR A 10 9.565 1.833 -4.420 1.00 0.00 H new ATOM 81 N LEU A 11 9.180 -4.813 -5.310 1.00 0.00 N ATOM 82 CA LEU A 11 9.546 -4.558 -6.697 1.00 0.00 C ATOM 83 C LEU A 11 8.503 -5.130 -7.648 1.00 0.00 C ATOM 84 O LEU A 11 8.253 -4.573 -8.717 1.00 0.00 O ATOM 85 CB LEU A 11 10.920 -5.154 -6.998 1.00 0.00 C ATOM 86 CG LEU A 11 12.016 -4.129 -7.274 1.00 0.00 C ATOM 87 CD1 LEU A 11 13.365 -4.649 -6.802 1.00 0.00 C ATOM 88 CD2 LEU A 11 12.063 -3.783 -8.755 1.00 0.00 C ATOM 0 H LEU A 11 9.851 -5.385 -4.797 1.00 0.00 H new ATOM 0 HA LEU A 11 9.588 -3.479 -6.847 1.00 0.00 H new ATOM 0 HB2 LEU A 11 11.225 -5.773 -6.154 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.833 -5.813 -7.862 1.00 0.00 H new ATOM 0 HG LEU A 11 11.785 -3.221 -6.717 1.00 0.00 H new ATOM 0 HD11 LEU A 11 14.134 -3.904 -7.007 1.00 0.00 H new ATOM 0 HD12 LEU A 11 13.325 -4.844 -5.730 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.604 -5.572 -7.330 1.00 0.00 H new ATOM 0 HD21 LEU A 11 12.851 -3.051 -8.933 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.268 -4.684 -9.333 1.00 0.00 H new ATOM 0 HD23 LEU A 11 11.104 -3.366 -9.062 1.00 0.00 H new ATOM 98 N SER A 12 7.888 -6.239 -7.247 1.00 0.00 N ATOM 99 CA SER A 12 6.862 -6.875 -8.064 1.00 0.00 C ATOM 100 C SER A 12 5.647 -5.965 -8.178 1.00 0.00 C ATOM 101 O SER A 12 4.999 -5.906 -9.222 1.00 0.00 O ATOM 102 CB SER A 12 6.453 -8.220 -7.463 1.00 0.00 C ATOM 103 OG SER A 12 7.584 -9.038 -7.224 1.00 0.00 O ATOM 0 H SER A 12 8.082 -6.713 -6.365 1.00 0.00 H new ATOM 0 HA SER A 12 7.272 -7.050 -9.059 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.915 -8.056 -6.529 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.768 -8.731 -8.140 1.00 0.00 H new ATOM 0 HG SER A 12 8.129 -8.643 -6.512 1.00 0.00 H new ATOM 107 N MET A 13 5.355 -5.247 -7.098 1.00 0.00 N ATOM 108 CA MET A 13 4.227 -4.325 -7.073 1.00 0.00 C ATOM 109 C MET A 13 4.515 -3.114 -7.952 1.00 0.00 C ATOM 110 O MET A 13 3.604 -2.516 -8.523 1.00 0.00 O ATOM 111 CB MET A 13 3.940 -3.870 -5.641 1.00 0.00 C ATOM 112 CG MET A 13 4.037 -4.985 -4.612 1.00 0.00 C ATOM 113 SD MET A 13 4.126 -4.364 -2.921 1.00 0.00 S ATOM 114 CE MET A 13 2.488 -3.666 -2.731 1.00 0.00 C ATOM 0 H MET A 13 5.885 -5.287 -6.228 1.00 0.00 H new ATOM 0 HA MET A 13 3.350 -4.844 -7.460 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.641 -3.079 -5.373 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.941 -3.437 -5.601 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.171 -5.640 -4.709 1.00 0.00 H new ATOM 0 HG3 MET A 13 4.920 -5.590 -4.820 1.00 0.00 H new ATOM 0 HE1 MET A 13 2.270 -3.534 -1.671 1.00 0.00 H new ATOM 0 HE2 MET A 13 2.444 -2.700 -3.234 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.752 -4.339 -3.172 1.00 0.00 H new ATOM 120 N LYS A 14 5.795 -2.761 -8.053 1.00 0.00 N ATOM 121 CA LYS A 14 6.217 -1.622 -8.860 1.00 0.00 C ATOM 122 C LYS A 14 6.218 -1.973 -10.346 1.00 0.00 C ATOM 123 O LYS A 14 6.470 -1.117 -11.193 1.00 0.00 O ATOM 124 CB LYS A 14 7.612 -1.160 -8.437 1.00 0.00 C ATOM 125 CG LYS A 14 7.684 -0.672 -6.998 1.00 0.00 C ATOM 126 CD LYS A 14 8.013 0.809 -6.926 1.00 0.00 C ATOM 127 CE LYS A 14 9.470 1.076 -7.271 1.00 0.00 C ATOM 128 NZ LYS A 14 9.878 2.465 -6.921 1.00 0.00 N ATOM 0 H LYS A 14 6.558 -3.250 -7.584 1.00 0.00 H new ATOM 0 HA LYS A 14 5.505 -0.813 -8.697 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.313 -1.984 -8.567 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.936 -0.358 -9.100 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.731 -0.858 -6.502 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.441 -1.240 -6.458 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.369 1.359 -7.612 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.802 1.181 -5.923 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.105 0.367 -6.740 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.627 0.909 -8.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.394 2.887 -7.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 9.032 3.034 -6.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 10.493 2.445 -6.083 1.00 0.00 H new ATOM 134 N ASP A 15 5.933 -3.236 -10.652 1.00 0.00 N ATOM 135 CA ASP A 15 5.903 -3.701 -12.036 1.00 0.00 C ATOM 136 C ASP A 15 4.754 -3.058 -12.807 1.00 0.00 C ATOM 137 O ASP A 15 4.119 -2.119 -12.328 1.00 0.00 O ATOM 138 CB ASP A 15 5.776 -5.225 -12.081 1.00 0.00 C ATOM 139 CG ASP A 15 6.552 -5.841 -13.230 1.00 0.00 C ATOM 140 OD1 ASP A 15 6.951 -5.093 -14.148 1.00 0.00 O ATOM 141 OD2 ASP A 15 6.764 -7.072 -13.212 1.00 0.00 O ATOM 0 H ASP A 15 5.720 -3.955 -9.961 1.00 0.00 H new ATOM 0 HA ASP A 15 6.839 -3.407 -12.510 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.133 -5.644 -11.140 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.724 -5.496 -12.171 1.00 0.00 H new ATOM 144 N THR A 16 4.498 -3.569 -14.008 1.00 0.00 N ATOM 145 CA THR A 16 3.431 -3.043 -14.851 1.00 0.00 C ATOM 146 C THR A 16 2.074 -3.629 -14.465 1.00 0.00 C ATOM 147 O THR A 16 1.344 -3.049 -13.661 1.00 0.00 O ATOM 148 CB THR A 16 3.699 -3.335 -16.340 1.00 0.00 C ATOM 149 OG1 THR A 16 4.631 -4.415 -16.469 1.00 0.00 O ATOM 150 CG2 THR A 16 4.245 -2.103 -17.046 1.00 0.00 C ATOM 0 H THR A 16 5.015 -4.346 -14.418 1.00 0.00 H new ATOM 0 HA THR A 16 3.411 -1.964 -14.695 1.00 0.00 H new ATOM 0 HB THR A 16 2.754 -3.613 -16.806 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.794 -4.595 -17.418 1.00 0.00 H new ATOM 0 HG21 THR A 16 4.426 -2.335 -18.095 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.521 -1.291 -16.973 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.180 -1.798 -16.576 1.00 0.00 H new ATOM 158 N GLU A 17 1.742 -4.778 -15.046 1.00 0.00 N ATOM 159 CA GLU A 17 0.472 -5.441 -14.767 1.00 0.00 C ATOM 160 C GLU A 17 0.604 -6.416 -13.602 1.00 0.00 C ATOM 161 O GLU A 17 -0.337 -6.607 -12.831 1.00 0.00 O ATOM 162 CB GLU A 17 -0.024 -6.182 -16.009 1.00 0.00 C ATOM 163 CG GLU A 17 -1.105 -5.436 -16.776 1.00 0.00 C ATOM 164 CD GLU A 17 -2.028 -6.366 -17.538 1.00 0.00 C ATOM 165 OE1 GLU A 17 -1.532 -7.370 -18.095 1.00 0.00 O ATOM 166 OE2 GLU A 17 -3.246 -6.094 -17.578 1.00 0.00 O ATOM 0 H GLU A 17 2.336 -5.270 -15.714 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.252 -4.674 -14.493 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.820 -6.364 -16.674 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.410 -7.156 -15.710 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.692 -4.838 -16.079 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.637 -4.743 -17.475 1.00 0.00 H new ATOM 169 N LYS A 18 1.773 -7.037 -13.489 1.00 0.00 N ATOM 170 CA LYS A 18 2.029 -8.004 -12.427 1.00 0.00 C ATOM 171 C LYS A 18 1.851 -7.379 -11.048 1.00 0.00 C ATOM 172 O LYS A 18 1.435 -8.051 -10.104 1.00 0.00 O ATOM 173 CB LYS A 18 3.441 -8.574 -12.558 1.00 0.00 C ATOM 174 CG LYS A 18 3.468 -10.071 -12.811 1.00 0.00 C ATOM 175 CD LYS A 18 4.173 -10.406 -14.116 1.00 0.00 C ATOM 176 CE LYS A 18 5.444 -11.203 -13.871 1.00 0.00 C ATOM 177 NZ LYS A 18 5.900 -11.911 -15.100 1.00 0.00 N ATOM 0 H LYS A 18 2.560 -6.888 -14.121 1.00 0.00 H new ATOM 0 HA LYS A 18 1.302 -8.809 -12.532 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.955 -8.066 -13.374 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.998 -8.357 -11.646 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.974 -10.571 -11.985 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.448 -10.454 -12.839 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.502 -10.977 -14.758 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.416 -9.486 -14.647 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.231 -10.534 -13.524 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.270 -11.929 -13.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.769 -12.443 -14.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 5.159 -12.568 -15.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.091 -11.216 -15.850 1.00 0.00 H new ATOM 183 N GLY A 19 2.172 -6.094 -10.933 1.00 0.00 N ATOM 184 CA GLY A 19 2.048 -5.411 -9.659 1.00 0.00 C ATOM 185 C GLY A 19 0.688 -4.772 -9.463 1.00 0.00 C ATOM 186 O GLY A 19 -0.273 -5.110 -10.153 1.00 0.00 O ATOM 0 H GLY A 19 2.515 -5.514 -11.699 1.00 0.00 H new ATOM 0 HA2 GLY A 19 2.230 -6.121 -8.852 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.818 -4.643 -9.587 1.00 0.00 H new ATOM 190 N ILE A 20 0.617 -3.843 -8.516 1.00 0.00 N ATOM 191 CA ILE A 20 -0.625 -3.141 -8.212 1.00 0.00 C ATOM 192 C ILE A 20 -1.073 -2.285 -9.395 1.00 0.00 C ATOM 193 O ILE A 20 -0.453 -2.301 -10.459 1.00 0.00 O ATOM 194 CB ILE A 20 -0.468 -2.241 -6.970 1.00 0.00 C ATOM 195 CG1 ILE A 20 0.635 -1.206 -7.205 1.00 0.00 C ATOM 196 CG2 ILE A 20 -0.161 -3.074 -5.735 1.00 0.00 C ATOM 197 CD1 ILE A 20 0.195 0.211 -6.928 1.00 0.00 C ATOM 0 H ILE A 20 1.410 -3.557 -7.942 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.381 -3.900 -8.009 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.410 -1.719 -6.801 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.488 -1.444 -6.570 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.976 -1.277 -8.238 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -0.054 -2.418 -4.871 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.975 -3.777 -5.559 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.767 -3.625 -5.889 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.025 0.893 -7.114 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.639 0.467 -7.581 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.119 0.298 -5.888 1.00 0.00 H new ATOM 207 N LYS A 21 -2.156 -1.534 -9.204 1.00 0.00 N ATOM 208 CA LYS A 21 -2.685 -0.672 -10.254 1.00 0.00 C ATOM 209 C LYS A 21 -2.011 0.697 -10.230 1.00 0.00 C ATOM 210 O LYS A 21 -2.595 1.683 -9.775 1.00 0.00 O ATOM 211 CB LYS A 21 -4.197 -0.517 -10.095 1.00 0.00 C ATOM 212 CG LYS A 21 -4.950 -1.830 -10.205 1.00 0.00 C ATOM 213 CD LYS A 21 -6.337 -1.630 -10.788 1.00 0.00 C ATOM 214 CE LYS A 21 -7.101 -2.942 -10.870 1.00 0.00 C ATOM 215 NZ LYS A 21 -8.370 -2.800 -11.634 1.00 0.00 N ATOM 0 H LYS A 21 -2.683 -1.506 -8.331 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.473 -1.138 -11.216 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.409 -0.065 -9.126 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.567 0.171 -10.856 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.387 -2.522 -10.832 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.031 -2.287 -9.219 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.893 -0.922 -10.173 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.255 -1.193 -11.783 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.475 -3.697 -11.344 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.321 -3.297 -9.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.860 -3.717 -11.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.979 -2.098 -11.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.159 -2.486 -12.603 1.00 0.00 H new ATOM 221 N GLU A 22 -0.777 0.745 -10.720 1.00 0.00 N ATOM 222 CA GLU A 22 -0.012 1.984 -10.761 1.00 0.00 C ATOM 223 C GLU A 22 -0.752 3.060 -11.548 1.00 0.00 C ATOM 224 O GLU A 22 -0.779 3.035 -12.779 1.00 0.00 O ATOM 225 CB GLU A 22 1.368 1.743 -11.381 1.00 0.00 C ATOM 226 CG GLU A 22 1.361 0.722 -12.507 1.00 0.00 C ATOM 227 CD GLU A 22 2.269 1.115 -13.656 1.00 0.00 C ATOM 228 OE1 GLU A 22 2.059 2.203 -14.234 1.00 0.00 O ATOM 229 OE2 GLU A 22 3.189 0.335 -13.979 1.00 0.00 O ATOM 0 H GLU A 22 -0.284 -0.065 -11.096 1.00 0.00 H new ATOM 0 HA GLU A 22 0.114 2.331 -9.735 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.756 2.688 -11.761 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.053 1.408 -10.602 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.674 -0.246 -12.116 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.343 0.602 -12.878 1.00 0.00 H new ATOM 232 N LEU A 23 -1.352 4.004 -10.829 1.00 0.00 N ATOM 233 CA LEU A 23 -2.095 5.090 -11.457 1.00 0.00 C ATOM 234 C LEU A 23 -1.755 6.431 -10.816 1.00 0.00 C ATOM 235 O LEU A 23 -1.766 6.566 -9.593 1.00 0.00 O ATOM 236 CB LEU A 23 -3.600 4.834 -11.357 1.00 0.00 C ATOM 237 CG LEU A 23 -4.319 4.649 -12.693 1.00 0.00 C ATOM 238 CD1 LEU A 23 -4.208 3.206 -13.158 1.00 0.00 C ATOM 239 CD2 LEU A 23 -5.778 5.062 -12.573 1.00 0.00 C ATOM 0 H LEU A 23 -1.338 4.038 -9.810 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.807 5.127 -12.508 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.761 3.943 -10.750 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.060 5.669 -10.828 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.842 5.288 -13.436 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.725 3.090 -14.111 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.157 2.943 -13.281 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.662 2.549 -12.416 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.275 4.924 -13.533 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.269 4.448 -11.818 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.836 6.111 -12.281 1.00 0.00 H new ATOM 249 N ASN A 24 -1.462 7.422 -11.653 1.00 0.00 N ATOM 250 CA ASN A 24 -1.125 8.758 -11.174 1.00 0.00 C ATOM 251 C ASN A 24 -2.367 9.468 -10.643 1.00 0.00 C ATOM 252 O ASN A 24 -3.274 9.803 -11.404 1.00 0.00 O ATOM 253 CB ASN A 24 -0.496 9.580 -12.300 1.00 0.00 C ATOM 254 CG ASN A 24 0.604 8.826 -13.021 1.00 0.00 C ATOM 255 OD1 ASN A 24 0.217 7.968 -13.959 1.00 0.00 O flip ATOM 256 ND2 ASN A 24 1.788 9.012 -12.740 1.00 0.00 N flip ATOM 0 H ASN A 24 -1.451 7.324 -12.668 1.00 0.00 H new ATOM 0 HA ASN A 24 -0.406 8.659 -10.361 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.268 9.862 -13.015 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -0.090 10.504 -11.888 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.041 9.681 -12.012 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.517 8.497 -13.235 1.00 0.00 H new ATOM 261 N LEU A 25 -2.404 9.689 -9.332 1.00 0.00 N ATOM 262 CA LEU A 25 -3.538 10.353 -8.699 1.00 0.00 C ATOM 263 C LEU A 25 -3.269 11.844 -8.519 1.00 0.00 C ATOM 264 O LEU A 25 -2.595 12.251 -7.573 1.00 0.00 O ATOM 265 CB LEU A 25 -3.836 9.710 -7.344 1.00 0.00 C ATOM 266 CG LEU A 25 -5.320 9.530 -7.022 1.00 0.00 C ATOM 267 CD1 LEU A 25 -5.628 8.069 -6.733 1.00 0.00 C ATOM 268 CD2 LEU A 25 -5.718 10.405 -5.843 1.00 0.00 C ATOM 0 H LEU A 25 -1.661 9.418 -8.688 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.405 10.237 -9.350 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.352 8.734 -7.308 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.382 10.320 -6.563 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.903 9.838 -7.890 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.688 7.959 -6.506 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.379 7.465 -7.606 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.037 7.734 -5.880 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.777 10.265 -5.627 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.130 10.127 -4.969 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.533 11.451 -6.087 1.00 0.00 H new ATOM 278 N GLU A 26 -3.804 12.653 -9.427 1.00 0.00 N ATOM 279 CA GLU A 26 -3.620 14.100 -9.363 1.00 0.00 C ATOM 280 C GLU A 26 -4.792 14.761 -8.643 1.00 0.00 C ATOM 281 O GLU A 26 -5.895 14.218 -8.606 1.00 0.00 O ATOM 282 CB GLU A 26 -3.479 14.685 -10.769 1.00 0.00 C ATOM 283 CG GLU A 26 -2.598 15.923 -10.827 1.00 0.00 C ATOM 284 CD GLU A 26 -2.334 16.391 -12.245 1.00 0.00 C ATOM 285 OE1 GLU A 26 -2.449 15.566 -13.176 1.00 0.00 O ATOM 286 OE2 GLU A 26 -2.009 17.585 -12.426 1.00 0.00 O ATOM 0 H GLU A 26 -4.368 12.333 -10.215 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.706 14.300 -8.803 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.066 13.924 -11.431 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -4.469 14.935 -11.150 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -3.073 16.728 -10.266 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.648 15.710 -10.337 1.00 0.00 H new ATOM 289 N LYS A 27 -4.544 15.937 -8.073 1.00 0.00 N ATOM 290 CA LYS A 27 -5.579 16.671 -7.355 1.00 0.00 C ATOM 291 C LYS A 27 -5.676 18.111 -7.850 1.00 0.00 C ATOM 292 O LYS A 27 -6.471 18.419 -8.739 1.00 0.00 O ATOM 293 CB LYS A 27 -5.303 16.648 -5.850 1.00 0.00 C ATOM 294 CG LYS A 27 -6.562 16.670 -4.998 1.00 0.00 C ATOM 295 CD LYS A 27 -7.013 15.265 -4.634 1.00 0.00 C ATOM 296 CE LYS A 27 -6.539 14.870 -3.244 1.00 0.00 C ATOM 297 NZ LYS A 27 -7.653 14.880 -2.257 1.00 0.00 N ATOM 0 H LYS A 27 -3.636 16.401 -8.095 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.533 16.180 -7.547 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.727 15.755 -5.609 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.684 17.506 -5.590 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.377 17.241 -4.088 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.359 17.181 -5.538 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.101 15.208 -4.679 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.626 14.556 -5.366 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.095 13.875 -3.280 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.758 15.556 -2.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.291 14.605 -1.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.061 15.835 -2.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.387 14.206 -2.555 1.00 0.00 H new ATOM 303 N ASP A 28 -4.865 18.994 -7.270 1.00 0.00 N ATOM 304 CA ASP A 28 -4.866 20.402 -7.654 1.00 0.00 C ATOM 305 C ASP A 28 -3.512 20.819 -8.220 1.00 0.00 C ATOM 306 O ASP A 28 -3.396 21.147 -9.401 1.00 0.00 O ATOM 307 CB ASP A 28 -5.214 21.276 -6.447 1.00 0.00 C ATOM 308 CG ASP A 28 -6.705 21.517 -6.319 1.00 0.00 C ATOM 309 OD1 ASP A 28 -7.433 20.564 -5.967 1.00 0.00 O ATOM 310 OD2 ASP A 28 -7.145 22.658 -6.570 1.00 0.00 O ATOM 0 H ASP A 28 -4.200 18.758 -6.533 1.00 0.00 H new ATOM 0 HA ASP A 28 -5.619 20.539 -8.430 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.846 20.799 -5.538 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -4.700 22.233 -6.535 1.00 0.00 H new ATOM 313 N LYS A 29 -2.495 20.811 -7.366 1.00 0.00 N ATOM 314 CA LYS A 29 -1.148 21.193 -7.773 1.00 0.00 C ATOM 315 C LYS A 29 -0.147 20.090 -7.444 1.00 0.00 C ATOM 316 O LYS A 29 1.060 20.258 -7.626 1.00 0.00 O ATOM 317 CB LYS A 29 -0.736 22.492 -7.078 1.00 0.00 C ATOM 318 CG LYS A 29 0.276 23.310 -7.862 1.00 0.00 C ATOM 319 CD LYS A 29 -0.366 24.545 -8.476 1.00 0.00 C ATOM 320 CE LYS A 29 0.151 24.800 -9.882 1.00 0.00 C ATOM 321 NZ LYS A 29 -0.815 25.593 -10.693 1.00 0.00 N ATOM 0 H LYS A 29 -2.578 20.544 -6.385 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.150 21.348 -8.852 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.625 23.099 -6.905 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.318 22.254 -6.100 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.091 23.611 -7.204 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.712 22.695 -8.649 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.448 24.419 -8.502 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.161 25.413 -7.849 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.102 25.330 -9.829 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.344 23.848 -10.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.426 25.746 -11.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.714 25.076 -10.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.980 26.512 -10.235 1.00 0.00 H new ATOM 327 N LYS A 30 -0.656 18.965 -6.957 1.00 0.00 N ATOM 328 CA LYS A 30 0.191 17.834 -6.598 1.00 0.00 C ATOM 329 C LYS A 30 -0.219 16.580 -7.364 1.00 0.00 C ATOM 330 O LYS A 30 -1.400 16.368 -7.639 1.00 0.00 O ATOM 331 CB LYS A 30 0.118 17.573 -5.092 1.00 0.00 C ATOM 332 CG LYS A 30 0.260 18.831 -4.252 1.00 0.00 C ATOM 333 CD LYS A 30 0.134 18.526 -2.768 1.00 0.00 C ATOM 334 CE LYS A 30 -1.156 19.086 -2.191 1.00 0.00 C ATOM 335 NZ LYS A 30 -1.628 18.294 -1.023 1.00 0.00 N ATOM 0 H LYS A 30 -1.652 18.811 -6.801 1.00 0.00 H new ATOM 0 HA LYS A 30 1.218 18.082 -6.868 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.834 17.096 -4.860 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.903 16.870 -4.815 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.227 19.294 -4.449 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -0.504 19.552 -4.543 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.165 17.447 -2.613 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.986 18.949 -2.235 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.000 20.122 -1.889 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.927 19.092 -2.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.510 18.707 -0.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.801 17.312 -1.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.903 18.309 -0.277 1.00 0.00 H new ATOM 341 N ILE A 31 0.765 15.752 -7.704 1.00 0.00 N ATOM 342 CA ILE A 31 0.506 14.519 -8.437 1.00 0.00 C ATOM 343 C ILE A 31 0.984 13.302 -7.654 1.00 0.00 C ATOM 344 O ILE A 31 2.146 12.906 -7.752 1.00 0.00 O ATOM 345 CB ILE A 31 1.190 14.528 -9.814 1.00 0.00 C ATOM 346 CG1 ILE A 31 0.903 15.841 -10.539 1.00 0.00 C ATOM 347 CG2 ILE A 31 0.723 13.343 -10.649 1.00 0.00 C ATOM 348 CD1 ILE A 31 2.071 16.338 -11.354 1.00 0.00 C ATOM 0 H ILE A 31 1.748 15.913 -7.483 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.573 14.458 -8.577 1.00 0.00 H new ATOM 0 HB ILE A 31 2.267 14.441 -9.668 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.042 15.706 -11.194 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.630 16.601 -9.807 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.217 13.365 -11.620 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.974 12.415 -10.135 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -0.356 13.400 -10.790 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.801 17.274 -11.843 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.927 16.504 -10.700 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.330 15.596 -12.109 1.00 0.00 H new ATOM 358 N PHE A 32 0.081 12.708 -6.877 1.00 0.00 N ATOM 359 CA PHE A 32 0.415 11.532 -6.082 1.00 0.00 C ATOM 360 C PHE A 32 0.827 10.373 -6.984 1.00 0.00 C ATOM 361 O PHE A 32 -0.019 9.718 -7.593 1.00 0.00 O ATOM 362 CB PHE A 32 -0.775 11.119 -5.214 1.00 0.00 C ATOM 363 CG PHE A 32 -1.276 12.215 -4.318 1.00 0.00 C ATOM 364 CD1 PHE A 32 -0.473 12.727 -3.313 1.00 0.00 C ATOM 365 CD2 PHE A 32 -2.551 12.731 -4.481 1.00 0.00 C ATOM 366 CE1 PHE A 32 -0.932 13.735 -2.486 1.00 0.00 C ATOM 367 CE2 PHE A 32 -3.016 13.740 -3.659 1.00 0.00 C ATOM 368 CZ PHE A 32 -2.204 14.242 -2.659 1.00 0.00 C ATOM 0 H PHE A 32 -0.885 13.022 -6.782 1.00 0.00 H new ATOM 0 HA PHE A 32 1.254 11.786 -5.434 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.588 10.790 -5.861 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.488 10.264 -4.602 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.523 12.334 -3.174 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.189 12.340 -5.260 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.296 14.125 -1.705 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.011 14.135 -3.798 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.564 15.030 -2.014 1.00 0.00 H new ATOM 376 N ASN A 33 2.130 10.129 -7.069 1.00 0.00 N ATOM 377 CA ASN A 33 2.654 9.053 -7.902 1.00 0.00 C ATOM 378 C ASN A 33 2.145 7.694 -7.428 1.00 0.00 C ATOM 379 O ASN A 33 2.553 7.196 -6.378 1.00 0.00 O ATOM 380 CB ASN A 33 4.183 9.070 -7.893 1.00 0.00 C ATOM 381 CG ASN A 33 4.766 9.209 -9.285 1.00 0.00 C ATOM 382 OD1 ASN A 33 4.561 8.354 -10.145 1.00 0.00 O ATOM 383 ND2 ASN A 33 5.500 10.293 -9.514 1.00 0.00 N ATOM 0 H ASN A 33 2.843 10.662 -6.571 1.00 0.00 H new ATOM 0 HA ASN A 33 2.302 9.215 -8.921 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.531 9.895 -7.272 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.551 8.151 -7.438 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.919 10.441 -10.432 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.645 10.977 -8.771 1.00 0.00 H new ATOM 388 N HIS A 34 1.254 7.103 -8.220 1.00 0.00 N ATOM 389 CA HIS A 34 0.682 5.799 -7.904 1.00 0.00 C ATOM 390 C HIS A 34 0.061 5.793 -6.511 1.00 0.00 C ATOM 391 O HIS A 34 0.565 5.135 -5.602 1.00 0.00 O ATOM 392 CB HIS A 34 1.753 4.709 -8.005 1.00 0.00 C ATOM 393 CG HIS A 34 2.665 4.868 -9.182 1.00 0.00 C ATOM 394 ND1 HIS A 34 2.231 4.787 -10.489 1.00 0.00 N ATOM 395 CD2 HIS A 34 3.997 5.107 -9.245 1.00 0.00 C ATOM 396 CE1 HIS A 34 3.255 4.967 -11.303 1.00 0.00 C ATOM 397 NE2 HIS A 34 4.338 5.165 -10.573 1.00 0.00 N ATOM 0 H HIS A 34 0.911 7.510 -9.090 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.105 5.594 -8.630 1.00 0.00 H new ATOM 0 HB2 HIS A 34 2.349 4.712 -7.092 1.00 0.00 H new ATOM 0 HB3 HIS A 34 1.264 3.736 -8.064 1.00 0.00 H new ATOM 0 HD2 HIS A 34 4.666 5.229 -8.406 1.00 0.00 H new ATOM 0 HE1 HIS A 34 3.214 4.954 -12.382 1.00 0.00 H new ATOM 0 HE2 HIS A 34 5.276 5.334 -10.937 1.00 0.00 H new ATOM 404 N CYS A 35 -1.041 6.519 -6.349 1.00 0.00 N ATOM 405 CA CYS A 35 -1.732 6.582 -5.066 1.00 0.00 C ATOM 406 C CYS A 35 -2.893 5.597 -5.043 1.00 0.00 C ATOM 407 O CYS A 35 -3.777 5.645 -5.898 1.00 0.00 O ATOM 408 CB CYS A 35 -2.235 8.002 -4.790 1.00 0.00 C ATOM 409 SG CYS A 35 -3.770 8.074 -3.836 1.00 0.00 S ATOM 0 H CYS A 35 -1.474 7.071 -7.089 1.00 0.00 H new ATOM 0 HA CYS A 35 -1.025 6.310 -4.282 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.461 8.551 -4.254 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.387 8.512 -5.741 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.890 9.250 -3.296 1.00 0.00 H new ATOM 413 N PHE A 36 -2.878 4.699 -4.066 1.00 0.00 N ATOM 414 CA PHE A 36 -3.924 3.695 -3.939 1.00 0.00 C ATOM 415 C PHE A 36 -4.439 3.623 -2.507 1.00 0.00 C ATOM 416 O PHE A 36 -4.127 4.480 -1.683 1.00 0.00 O ATOM 417 CB PHE A 36 -3.409 2.322 -4.389 1.00 0.00 C ATOM 418 CG PHE A 36 -1.978 2.033 -4.006 1.00 0.00 C ATOM 419 CD1 PHE A 36 -0.924 2.662 -4.656 1.00 0.00 C ATOM 420 CD2 PHE A 36 -1.688 1.118 -3.006 1.00 0.00 C ATOM 421 CE1 PHE A 36 0.384 2.385 -4.312 1.00 0.00 C ATOM 422 CE2 PHE A 36 -0.380 0.842 -2.659 1.00 0.00 C ATOM 423 CZ PHE A 36 0.656 1.474 -3.314 1.00 0.00 C ATOM 0 H PHE A 36 -2.153 4.646 -3.351 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.752 3.987 -4.585 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.049 1.550 -3.961 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.503 2.250 -5.473 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.130 3.376 -5.440 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.494 0.615 -2.492 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.194 2.882 -4.825 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.168 0.131 -1.874 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.679 1.255 -3.045 1.00 0.00 H new ATOM 431 N THR A 37 -5.231 2.596 -2.216 1.00 0.00 N ATOM 432 CA THR A 37 -5.789 2.418 -0.881 1.00 0.00 C ATOM 433 C THR A 37 -5.077 1.297 -0.132 1.00 0.00 C ATOM 434 O THR A 37 -4.302 0.542 -0.719 1.00 0.00 O ATOM 435 CB THR A 37 -7.297 2.113 -0.938 1.00 0.00 C ATOM 436 OG1 THR A 37 -7.588 1.285 -2.070 1.00 0.00 O ATOM 437 CG2 THR A 37 -8.106 3.399 -1.022 1.00 0.00 C ATOM 0 H THR A 37 -5.500 1.876 -2.886 1.00 0.00 H new ATOM 0 HA THR A 37 -5.639 3.356 -0.347 1.00 0.00 H new ATOM 0 HB THR A 37 -7.574 1.587 -0.024 1.00 0.00 H new ATOM 0 HG1 THR A 37 -8.549 1.095 -2.098 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.168 3.159 -1.061 1.00 0.00 H new ATOM 0 HG22 THR A 37 -7.905 4.013 -0.144 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.825 3.948 -1.921 1.00 0.00 H new ATOM 445 N GLY A 38 -5.341 1.202 1.167 1.00 0.00 N ATOM 446 CA GLY A 38 -4.714 0.176 1.980 1.00 0.00 C ATOM 447 C GLY A 38 -5.275 -1.208 1.717 1.00 0.00 C ATOM 448 O GLY A 38 -4.530 -2.186 1.671 1.00 0.00 O ATOM 0 H GLY A 38 -5.979 1.818 1.672 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.641 0.171 1.786 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.847 0.422 3.033 1.00 0.00 H new ATOM 452 N ASN A 39 -6.591 -1.291 1.548 1.00 0.00 N ATOM 453 CA ASN A 39 -7.250 -2.568 1.294 1.00 0.00 C ATOM 454 C ASN A 39 -6.897 -3.101 -0.093 1.00 0.00 C ATOM 455 O ASN A 39 -7.136 -4.269 -0.399 1.00 0.00 O ATOM 456 CB ASN A 39 -8.766 -2.417 1.425 1.00 0.00 C ATOM 457 CG ASN A 39 -9.387 -3.517 2.266 1.00 0.00 C ATOM 458 OD1 ASN A 39 -8.850 -4.619 2.362 1.00 0.00 O ATOM 459 ND2 ASN A 39 -10.526 -3.220 2.883 1.00 0.00 N ATOM 0 H ASN A 39 -7.222 -0.490 1.582 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.897 -3.283 2.036 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.995 -1.449 1.871 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.216 -2.424 0.432 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.989 -3.919 3.464 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -10.937 -2.293 2.776 1.00 0.00 H new ATOM 464 N CYS A 40 -6.325 -2.236 -0.925 1.00 0.00 N ATOM 465 CA CYS A 40 -5.936 -2.615 -2.278 1.00 0.00 C ATOM 466 C CYS A 40 -4.787 -3.618 -2.251 1.00 0.00 C ATOM 467 O CYS A 40 -4.895 -4.716 -2.800 1.00 0.00 O ATOM 468 CB CYS A 40 -5.527 -1.379 -3.081 1.00 0.00 C ATOM 469 SG CYS A 40 -6.458 -1.153 -4.613 1.00 0.00 S ATOM 0 H CYS A 40 -6.121 -1.266 -0.685 1.00 0.00 H new ATOM 0 HA CYS A 40 -6.796 -3.083 -2.758 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -5.655 -0.495 -2.457 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.466 -1.449 -3.320 1.00 0.00 H new ATOM 0 HG CYS A 40 -6.042 -0.081 -5.220 1.00 0.00 H new ATOM 473 N VAL A 41 -3.688 -3.231 -1.609 1.00 0.00 N ATOM 474 CA VAL A 41 -2.513 -4.089 -1.505 1.00 0.00 C ATOM 475 C VAL A 41 -2.868 -5.446 -0.902 1.00 0.00 C ATOM 476 O VAL A 41 -2.249 -6.458 -1.224 1.00 0.00 O ATOM 477 CB VAL A 41 -1.416 -3.430 -0.646 1.00 0.00 C ATOM 478 CG1 VAL A 41 -0.182 -4.314 -0.568 1.00 0.00 C ATOM 479 CG2 VAL A 41 -1.061 -2.063 -1.204 1.00 0.00 C ATOM 0 H VAL A 41 -3.587 -2.325 -1.152 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.138 -4.235 -2.518 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.803 -3.304 0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.577 -3.826 0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.448 -5.272 -0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.211 -4.479 -1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.285 -1.609 -0.588 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.696 -2.170 -2.226 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.946 -1.427 -1.200 1.00 0.00 H new ATOM 489 N ILE A 42 -3.869 -5.459 -0.028 1.00 0.00 N ATOM 490 CA ILE A 42 -4.300 -6.696 0.613 1.00 0.00 C ATOM 491 C ILE A 42 -4.952 -7.634 -0.396 1.00 0.00 C ATOM 492 O ILE A 42 -4.685 -8.836 -0.398 1.00 0.00 O ATOM 493 CB ILE A 42 -5.293 -6.431 1.761 1.00 0.00 C ATOM 494 CG1 ILE A 42 -4.902 -5.171 2.540 1.00 0.00 C ATOM 495 CG2 ILE A 42 -5.359 -7.634 2.689 1.00 0.00 C ATOM 496 CD1 ILE A 42 -3.609 -5.301 3.321 1.00 0.00 C ATOM 0 H ILE A 42 -4.395 -4.631 0.252 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.405 -7.163 1.024 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.281 -6.269 1.330 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.810 -4.339 1.842 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.707 -4.920 3.230 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.064 -7.433 3.495 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.689 -8.509 2.128 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.371 -7.824 3.109 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.404 -4.367 3.844 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -3.702 -6.110 4.046 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.790 -5.520 2.636 1.00 0.00 H new ATOM 506 N ASP A 43 -5.807 -7.081 -1.250 1.00 0.00 N ATOM 507 CA ASP A 43 -6.494 -7.874 -2.266 1.00 0.00 C ATOM 508 C ASP A 43 -5.518 -8.367 -3.329 1.00 0.00 C ATOM 509 O ASP A 43 -5.635 -9.491 -3.820 1.00 0.00 O ATOM 510 CB ASP A 43 -7.609 -7.054 -2.918 1.00 0.00 C ATOM 511 CG ASP A 43 -8.856 -7.875 -3.176 1.00 0.00 C ATOM 512 OD1 ASP A 43 -8.866 -8.647 -4.159 1.00 0.00 O ATOM 513 OD2 ASP A 43 -9.823 -7.748 -2.397 1.00 0.00 O ATOM 0 H ASP A 43 -6.041 -6.088 -1.260 1.00 0.00 H new ATOM 0 HA ASP A 43 -6.933 -8.742 -1.775 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.860 -6.211 -2.275 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.249 -6.640 -3.860 1.00 0.00 H new ATOM 516 N TRP A 44 -4.553 -7.521 -3.679 1.00 0.00 N ATOM 517 CA TRP A 44 -3.552 -7.869 -4.681 1.00 0.00 C ATOM 518 C TRP A 44 -2.649 -8.986 -4.165 1.00 0.00 C ATOM 519 O TRP A 44 -2.413 -9.977 -4.857 1.00 0.00 O ATOM 520 CB TRP A 44 -2.718 -6.639 -5.046 1.00 0.00 C ATOM 521 CG TRP A 44 -1.640 -6.916 -6.049 1.00 0.00 C ATOM 522 CD1 TRP A 44 -1.764 -6.919 -7.409 1.00 0.00 C ATOM 523 CD2 TRP A 44 -0.271 -7.230 -5.773 1.00 0.00 C ATOM 524 NE1 TRP A 44 -0.558 -7.213 -7.993 1.00 0.00 N ATOM 525 CE2 TRP A 44 0.376 -7.410 -7.009 1.00 0.00 C ATOM 526 CE3 TRP A 44 0.472 -7.377 -4.597 1.00 0.00 C ATOM 527 CZ2 TRP A 44 1.729 -7.727 -7.103 1.00 0.00 C ATOM 528 CZ3 TRP A 44 1.814 -7.693 -4.692 1.00 0.00 C ATOM 529 CH2 TRP A 44 2.430 -7.864 -5.937 1.00 0.00 C ATOM 0 H TRP A 44 -4.444 -6.588 -3.282 1.00 0.00 H new ATOM 0 HA TRP A 44 -4.064 -8.222 -5.576 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.379 -5.867 -5.441 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.264 -6.237 -4.140 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -2.679 -6.719 -7.947 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.384 -7.275 -8.996 1.00 0.00 H new ATOM 0 HE3 TRP A 44 0.005 -7.246 -3.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 2.207 -7.860 -8.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.397 -7.810 -3.790 1.00 0.00 H new ATOM 0 HH2 TRP A 44 3.481 -8.109 -5.978 1.00 0.00 H new ATOM 538 N LEU A 45 -2.154 -8.818 -2.943 1.00 0.00 N ATOM 539 CA LEU A 45 -1.286 -9.811 -2.323 1.00 0.00 C ATOM 540 C LEU A 45 -2.018 -11.140 -2.183 1.00 0.00 C ATOM 541 O LEU A 45 -1.465 -12.203 -2.466 1.00 0.00 O ATOM 542 CB LEU A 45 -0.828 -9.322 -0.945 1.00 0.00 C ATOM 543 CG LEU A 45 0.654 -8.964 -0.837 1.00 0.00 C ATOM 544 CD1 LEU A 45 0.890 -7.525 -1.268 1.00 0.00 C ATOM 545 CD2 LEU A 45 1.150 -9.179 0.584 1.00 0.00 C ATOM 0 H LEU A 45 -2.340 -8.001 -2.362 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.413 -9.955 -2.959 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.417 -8.446 -0.675 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.052 -10.096 -0.210 1.00 0.00 H new ATOM 0 HG LEU A 45 1.215 -9.619 -1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.951 -7.289 -1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.571 -7.398 -2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.318 -6.855 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.207 -8.919 0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.582 -8.547 1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.017 -10.225 0.862 1.00 0.00 H new ATOM 555 N VAL A 46 -3.269 -11.064 -1.742 1.00 0.00 N ATOM 556 CA VAL A 46 -4.100 -12.246 -1.556 1.00 0.00 C ATOM 557 C VAL A 46 -4.387 -12.925 -2.894 1.00 0.00 C ATOM 558 O VAL A 46 -4.518 -14.147 -2.968 1.00 0.00 O ATOM 559 CB VAL A 46 -5.423 -11.873 -0.849 1.00 0.00 C ATOM 560 CG1 VAL A 46 -6.506 -12.916 -1.086 1.00 0.00 C ATOM 561 CG2 VAL A 46 -5.188 -11.680 0.640 1.00 0.00 C ATOM 0 H VAL A 46 -3.732 -10.187 -1.505 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.554 -12.948 -0.926 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.774 -10.935 -1.279 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.419 -12.616 -0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.702 -13.000 -2.155 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.173 -13.880 -0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.128 -11.418 1.126 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.803 -12.604 1.070 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.465 -10.879 0.793 1.00 0.00 H new ATOM 571 N SER A 47 -4.471 -12.125 -3.953 1.00 0.00 N ATOM 572 CA SER A 47 -4.734 -12.648 -5.288 1.00 0.00 C ATOM 573 C SER A 47 -3.512 -13.385 -5.830 1.00 0.00 C ATOM 574 O SER A 47 -3.629 -14.241 -6.707 1.00 0.00 O ATOM 575 CB SER A 47 -5.124 -11.513 -6.238 1.00 0.00 C ATOM 576 OG SER A 47 -4.086 -11.239 -7.163 1.00 0.00 O ATOM 0 H SER A 47 -4.361 -11.112 -3.912 1.00 0.00 H new ATOM 0 HA SER A 47 -5.563 -13.353 -5.220 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.033 -11.782 -6.776 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.348 -10.615 -5.663 1.00 0.00 H new ATOM 0 HG SER A 47 -3.343 -10.798 -6.700 1.00 0.00 H new ATOM 580 N ASN A 48 -2.340 -13.045 -5.300 1.00 0.00 N ATOM 581 CA ASN A 48 -1.094 -13.671 -5.727 1.00 0.00 C ATOM 582 C ASN A 48 -0.801 -14.921 -4.903 1.00 0.00 C ATOM 583 O ASN A 48 -1.689 -15.464 -4.244 1.00 0.00 O ATOM 584 CB ASN A 48 0.066 -12.679 -5.603 1.00 0.00 C ATOM 585 CG ASN A 48 0.786 -12.465 -6.920 1.00 0.00 C ATOM 586 OD1 ASN A 48 1.405 -13.523 -7.435 1.00 0.00 O flip ATOM 587 ND2 ASN A 48 0.786 -11.365 -7.471 1.00 0.00 N flip ATOM 0 H ASN A 48 -2.228 -12.338 -4.573 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.203 -13.965 -6.771 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.313 -11.724 -5.240 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.775 -13.044 -4.860 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.298 -10.579 -7.041 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.274 -11.239 -8.358 1.00 0.00 H new ATOM 592 N GLN A 49 0.450 -15.374 -4.944 1.00 0.00 N ATOM 593 CA GLN A 49 0.858 -16.562 -4.202 1.00 0.00 C ATOM 594 C GLN A 49 1.525 -16.180 -2.884 1.00 0.00 C ATOM 595 O GLN A 49 1.973 -17.046 -2.132 1.00 0.00 O ATOM 596 CB GLN A 49 1.815 -17.411 -5.042 1.00 0.00 C ATOM 597 CG GLN A 49 1.109 -18.422 -5.930 1.00 0.00 C ATOM 598 CD GLN A 49 0.995 -19.787 -5.280 1.00 0.00 C ATOM 599 OE1 GLN A 49 0.356 -19.836 -4.116 1.00 0.00 O flip ATOM 600 NE2 GLN A 49 1.473 -20.786 -5.817 1.00 0.00 N flip ATOM 0 H GLN A 49 1.197 -14.936 -5.483 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.036 -17.145 -3.981 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.420 -16.753 -5.665 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.499 -17.939 -4.377 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.112 -18.054 -6.172 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.651 -18.515 -6.871 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.956 -20.702 -6.712 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.386 -21.697 -5.367 1.00 0.00 H new ATOM 605 N SER A 50 1.589 -14.881 -2.612 1.00 0.00 N ATOM 606 CA SER A 50 2.201 -14.385 -1.383 1.00 0.00 C ATOM 607 C SER A 50 1.361 -14.768 -0.168 1.00 0.00 C ATOM 608 O SER A 50 1.856 -15.397 0.769 1.00 0.00 O ATOM 609 CB SER A 50 2.365 -12.866 -1.447 1.00 0.00 C ATOM 610 OG SER A 50 2.585 -12.322 -0.156 1.00 0.00 O ATOM 0 H SER A 50 1.225 -14.152 -3.225 1.00 0.00 H new ATOM 0 HA SER A 50 3.185 -14.844 -1.283 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.202 -12.614 -2.099 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.473 -12.419 -1.886 1.00 0.00 H new ATOM 0 HG SER A 50 2.688 -11.350 -0.224 1.00 0.00 H new ATOM 614 N VAL A 51 0.088 -14.386 -0.193 1.00 0.00 N ATOM 615 CA VAL A 51 -0.825 -14.689 0.903 1.00 0.00 C ATOM 616 C VAL A 51 -2.121 -15.295 0.384 1.00 0.00 C ATOM 617 O VAL A 51 -2.347 -15.368 -0.824 1.00 0.00 O ATOM 618 CB VAL A 51 -1.165 -13.432 1.726 1.00 0.00 C ATOM 619 CG1 VAL A 51 0.055 -12.942 2.488 1.00 0.00 C ATOM 620 CG2 VAL A 51 -1.713 -12.336 0.827 1.00 0.00 C ATOM 0 H VAL A 51 -0.335 -13.865 -0.961 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.313 -15.407 1.544 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.935 -13.696 2.451 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.207 -12.054 3.062 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.399 -13.724 3.165 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.850 -12.697 1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.947 -11.457 1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.968 -12.075 0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.618 -12.689 0.333 1.00 0.00 H new ATOM 630 N ARG A 52 -2.969 -15.720 1.310 1.00 0.00 N ATOM 631 CA ARG A 52 -4.249 -16.312 0.965 1.00 0.00 C ATOM 632 C ARG A 52 -5.380 -15.552 1.644 1.00 0.00 C ATOM 633 O ARG A 52 -6.291 -15.050 0.989 1.00 0.00 O ATOM 634 CB ARG A 52 -4.284 -17.784 1.377 1.00 0.00 C ATOM 635 CG ARG A 52 -4.473 -18.741 0.211 1.00 0.00 C ATOM 636 CD ARG A 52 -5.945 -18.931 -0.119 1.00 0.00 C ATOM 637 NE ARG A 52 -6.164 -19.114 -1.552 1.00 0.00 N ATOM 638 CZ ARG A 52 -7.337 -19.443 -2.083 1.00 0.00 C ATOM 639 NH1 ARG A 52 -8.394 -19.628 -1.303 1.00 0.00 N ATOM 640 NH2 ARG A 52 -7.455 -19.587 -3.396 1.00 0.00 N ATOM 0 H ARG A 52 -2.789 -15.664 2.313 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.380 -16.249 -0.115 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.355 -18.030 1.891 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.093 -17.933 2.092 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.949 -18.358 -0.665 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.026 -19.705 0.454 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.329 -19.797 0.420 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.509 -18.065 0.227 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.372 -18.982 -2.180 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.308 -19.518 -0.293 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.293 -19.880 -1.714 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.645 -19.445 -3.999 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.356 -19.840 -3.802 1.00 0.00 H new ATOM 648 N ASN A 53 -5.308 -15.471 2.968 1.00 0.00 N ATOM 649 CA ASN A 53 -6.318 -14.766 3.749 1.00 0.00 C ATOM 650 C ASN A 53 -6.045 -13.266 3.774 1.00 0.00 C ATOM 651 O ASN A 53 -4.944 -12.820 3.454 1.00 0.00 O ATOM 652 CB ASN A 53 -6.365 -15.311 5.177 1.00 0.00 C ATOM 653 CG ASN A 53 -7.753 -15.775 5.573 1.00 0.00 C ATOM 654 OD1 ASN A 53 -8.612 -14.968 5.929 1.00 0.00 O ATOM 655 ND2 ASN A 53 -7.979 -17.081 5.511 1.00 0.00 N ATOM 0 H ASN A 53 -4.560 -15.885 3.524 1.00 0.00 H new ATOM 0 HA ASN A 53 -7.284 -14.931 3.272 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.667 -16.143 5.269 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.032 -14.538 5.869 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.895 -17.453 5.764 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.237 -17.713 5.210 1.00 0.00 H new ATOM 660 N ARG A 54 -7.053 -12.495 4.172 1.00 0.00 N ATOM 661 CA ARG A 54 -6.920 -11.047 4.255 1.00 0.00 C ATOM 662 C ARG A 54 -5.981 -10.665 5.394 1.00 0.00 C ATOM 663 O ARG A 54 -5.289 -9.646 5.332 1.00 0.00 O ATOM 664 CB ARG A 54 -8.289 -10.399 4.467 1.00 0.00 C ATOM 665 CG ARG A 54 -8.404 -9.007 3.868 1.00 0.00 C ATOM 666 CD ARG A 54 -9.730 -8.354 4.227 1.00 0.00 C ATOM 667 NE ARG A 54 -10.569 -8.139 3.051 1.00 0.00 N ATOM 668 CZ ARG A 54 -11.699 -8.801 2.816 1.00 0.00 C ATOM 669 NH1 ARG A 54 -12.123 -9.724 3.672 1.00 0.00 N ATOM 670 NH2 ARG A 54 -12.406 -8.541 1.725 1.00 0.00 N ATOM 0 H ARG A 54 -7.970 -12.850 4.442 1.00 0.00 H new ATOM 0 HA ARG A 54 -6.500 -10.685 3.317 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.056 -11.038 4.029 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -8.493 -10.343 5.536 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -7.583 -8.386 4.226 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.308 -9.067 2.784 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -10.262 -8.982 4.942 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -9.543 -7.399 4.719 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.271 -7.440 2.370 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.582 -9.927 4.512 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -12.990 -10.230 3.489 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -12.084 -7.833 1.065 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -13.272 -9.049 1.546 1.00 0.00 H new ATOM 678 N GLN A 55 -5.959 -11.494 6.434 1.00 0.00 N ATOM 679 CA GLN A 55 -5.106 -11.254 7.588 1.00 0.00 C ATOM 680 C GLN A 55 -3.638 -11.433 7.220 1.00 0.00 C ATOM 681 O GLN A 55 -2.777 -10.672 7.666 1.00 0.00 O ATOM 682 CB GLN A 55 -5.476 -12.202 8.723 1.00 0.00 C ATOM 683 CG GLN A 55 -5.561 -11.526 10.082 1.00 0.00 C ATOM 684 CD GLN A 55 -5.412 -12.504 11.230 1.00 0.00 C ATOM 685 OE1 GLN A 55 -4.542 -12.345 12.086 1.00 0.00 O ATOM 686 NE2 GLN A 55 -6.262 -13.524 11.253 1.00 0.00 N ATOM 0 H GLN A 55 -6.525 -12.340 6.499 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.259 -10.226 7.918 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.436 -12.667 8.498 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.738 -13.002 8.771 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.784 -10.765 10.154 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.519 -11.013 10.169 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.968 -13.616 10.522 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -6.209 -14.215 12.001 1.00 0.00 H new ATOM 691 N GLU A 56 -3.361 -12.441 6.400 1.00 0.00 N ATOM 692 CA GLU A 56 -1.997 -12.720 5.967 1.00 0.00 C ATOM 693 C GLU A 56 -1.455 -11.573 5.122 1.00 0.00 C ATOM 694 O GLU A 56 -0.321 -11.135 5.308 1.00 0.00 O ATOM 695 CB GLU A 56 -1.948 -14.025 5.169 1.00 0.00 C ATOM 696 CG GLU A 56 -1.909 -15.271 6.040 1.00 0.00 C ATOM 697 CD GLU A 56 -1.341 -16.473 5.313 1.00 0.00 C ATOM 698 OE1 GLU A 56 -0.103 -16.638 5.313 1.00 0.00 O ATOM 699 OE2 GLU A 56 -2.135 -17.251 4.742 1.00 0.00 O ATOM 0 H GLU A 56 -4.062 -13.078 6.022 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.373 -12.824 6.854 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.820 -14.075 4.517 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.069 -14.014 4.525 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.309 -15.071 6.927 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.918 -15.502 6.383 1.00 0.00 H new ATOM 702 N GLY A 57 -2.272 -11.091 4.192 1.00 0.00 N ATOM 703 CA GLY A 57 -1.854 -9.997 3.336 1.00 0.00 C ATOM 704 C GLY A 57 -1.795 -8.676 4.074 1.00 0.00 C ATOM 705 O GLY A 57 -1.138 -7.736 3.626 1.00 0.00 O ATOM 0 H GLY A 57 -3.215 -11.438 4.016 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.872 -10.221 2.918 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.545 -9.911 2.497 1.00 0.00 H new ATOM 709 N LEU A 58 -2.483 -8.604 5.208 1.00 0.00 N ATOM 710 CA LEU A 58 -2.507 -7.386 6.010 1.00 0.00 C ATOM 711 C LEU A 58 -1.205 -7.216 6.787 1.00 0.00 C ATOM 712 O LEU A 58 -0.661 -6.115 6.865 1.00 0.00 O ATOM 713 CB LEU A 58 -3.694 -7.408 6.972 1.00 0.00 C ATOM 714 CG LEU A 58 -4.566 -6.152 6.953 1.00 0.00 C ATOM 715 CD1 LEU A 58 -5.959 -6.460 7.479 1.00 0.00 C ATOM 716 CD2 LEU A 58 -3.919 -5.043 7.768 1.00 0.00 C ATOM 0 H LEU A 58 -3.031 -9.374 5.592 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.614 -6.538 5.333 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.319 -8.269 6.734 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.319 -7.556 7.985 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.658 -5.812 5.921 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.565 -5.554 7.458 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.424 -7.222 6.853 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.889 -6.825 8.504 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.553 -4.157 7.744 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.797 -5.373 8.799 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.943 -4.803 7.346 1.00 0.00 H new ATOM 726 N MET A 59 -0.711 -8.310 7.361 1.00 0.00 N ATOM 727 CA MET A 59 0.529 -8.269 8.130 1.00 0.00 C ATOM 728 C MET A 59 1.732 -8.070 7.213 1.00 0.00 C ATOM 729 O MET A 59 2.667 -7.342 7.552 1.00 0.00 O ATOM 730 CB MET A 59 0.696 -9.550 8.950 1.00 0.00 C ATOM 731 CG MET A 59 0.598 -10.813 8.121 1.00 0.00 C ATOM 732 SD MET A 59 1.732 -12.101 8.673 1.00 0.00 S ATOM 733 CE MET A 59 3.310 -11.291 8.425 1.00 0.00 C ATOM 0 H MET A 59 -1.147 -9.230 7.309 1.00 0.00 H new ATOM 0 HA MET A 59 0.473 -7.421 8.813 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.664 -9.528 9.451 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.066 -9.576 9.729 1.00 0.00 H new ATOM 0 HG2 MET A 59 -0.423 -11.192 8.164 1.00 0.00 H new ATOM 0 HG3 MET A 59 0.806 -10.575 7.078 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.997 -11.976 7.928 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.171 -10.405 7.806 1.00 0.00 H new ATOM 0 HE3 MET A 59 3.724 -10.998 9.390 1.00 0.00 H new ATOM 739 N ILE A 60 1.701 -8.712 6.048 1.00 0.00 N ATOM 740 CA ILE A 60 2.789 -8.591 5.084 1.00 0.00 C ATOM 741 C ILE A 60 2.912 -7.150 4.599 1.00 0.00 C ATOM 742 O ILE A 60 4.010 -6.596 4.533 1.00 0.00 O ATOM 743 CB ILE A 60 2.583 -9.525 3.872 1.00 0.00 C ATOM 744 CG1 ILE A 60 2.548 -10.989 4.326 1.00 0.00 C ATOM 745 CG2 ILE A 60 3.681 -9.306 2.839 1.00 0.00 C ATOM 746 CD1 ILE A 60 3.857 -11.484 4.906 1.00 0.00 C ATOM 0 H ILE A 60 0.937 -9.319 5.750 1.00 0.00 H new ATOM 0 HA ILE A 60 3.707 -8.886 5.592 1.00 0.00 H new ATOM 0 HB ILE A 60 1.626 -9.288 3.408 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.763 -11.109 5.073 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.278 -11.616 3.476 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.521 -9.972 1.991 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.658 -8.271 2.497 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.651 -9.518 3.289 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.752 -12.527 5.204 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.643 -11.398 4.156 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.120 -10.883 5.777 1.00 0.00 H new ATOM 756 N ALA A 61 1.776 -6.542 4.276 1.00 0.00 N ATOM 757 CA ALA A 61 1.762 -5.162 3.817 1.00 0.00 C ATOM 758 C ALA A 61 2.186 -4.229 4.946 1.00 0.00 C ATOM 759 O ALA A 61 2.759 -3.164 4.707 1.00 0.00 O ATOM 760 CB ALA A 61 0.380 -4.786 3.302 1.00 0.00 C ATOM 0 H ALA A 61 0.857 -6.983 4.324 1.00 0.00 H new ATOM 0 HA ALA A 61 2.472 -5.059 2.996 1.00 0.00 H new ATOM 0 HB1 ALA A 61 0.388 -3.750 2.963 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.112 -5.438 2.471 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.350 -4.900 4.103 1.00 0.00 H new ATOM 766 N SER A 62 1.908 -4.651 6.180 1.00 0.00 N ATOM 767 CA SER A 62 2.269 -3.870 7.357 1.00 0.00 C ATOM 768 C SER A 62 3.775 -3.648 7.400 1.00 0.00 C ATOM 769 O SER A 62 4.242 -2.526 7.597 1.00 0.00 O ATOM 770 CB SER A 62 1.804 -4.577 8.631 1.00 0.00 C ATOM 771 OG SER A 62 0.745 -3.870 9.251 1.00 0.00 O ATOM 0 H SER A 62 1.434 -5.530 6.387 1.00 0.00 H new ATOM 0 HA SER A 62 1.772 -2.902 7.296 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.478 -5.589 8.390 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.639 -4.668 9.325 1.00 0.00 H new ATOM 0 HG SER A 62 0.466 -4.344 10.062 1.00 0.00 H new ATOM 775 N SER A 63 4.527 -4.726 7.193 1.00 0.00 N ATOM 776 CA SER A 63 5.982 -4.652 7.184 1.00 0.00 C ATOM 777 C SER A 63 6.439 -3.686 6.106 1.00 0.00 C ATOM 778 O SER A 63 7.225 -2.776 6.360 1.00 0.00 O ATOM 779 CB SER A 63 6.580 -6.029 6.915 1.00 0.00 C ATOM 780 OG SER A 63 6.280 -6.471 5.607 1.00 0.00 O ATOM 0 H SER A 63 4.151 -5.660 7.029 1.00 0.00 H new ATOM 0 HA SER A 63 6.320 -4.301 8.159 1.00 0.00 H new ATOM 0 HB2 SER A 63 7.661 -5.991 7.050 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.193 -6.744 7.641 1.00 0.00 H new ATOM 0 HG SER A 63 5.314 -6.612 5.523 1.00 0.00 H new ATOM 784 N LEU A 64 5.925 -3.912 4.903 1.00 0.00 N ATOM 785 CA LEU A 64 6.240 -3.084 3.736 1.00 0.00 C ATOM 786 C LEU A 64 6.368 -1.609 4.114 1.00 0.00 C ATOM 787 O LEU A 64 7.426 -1.003 3.940 1.00 0.00 O ATOM 788 CB LEU A 64 5.146 -3.239 2.678 1.00 0.00 C ATOM 789 CG LEU A 64 5.565 -3.966 1.402 1.00 0.00 C ATOM 790 CD1 LEU A 64 4.399 -4.758 0.833 1.00 0.00 C ATOM 791 CD2 LEU A 64 6.092 -2.976 0.375 1.00 0.00 C ATOM 0 H LEU A 64 5.277 -4.674 4.705 1.00 0.00 H new ATOM 0 HA LEU A 64 7.197 -3.422 3.338 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.308 -3.776 3.123 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.783 -2.247 2.408 1.00 0.00 H new ATOM 0 HG LEU A 64 6.365 -4.664 1.649 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.716 -5.270 -0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.066 -5.493 1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.578 -4.080 0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.386 -3.511 -0.528 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.312 -2.254 0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 64 6.956 -2.452 0.784 1.00 0.00 H new ATOM 801 N LEU A 65 5.279 -1.041 4.622 1.00 0.00 N ATOM 802 CA LEU A 65 5.256 0.364 5.020 1.00 0.00 C ATOM 803 C LEU A 65 6.174 0.618 6.214 1.00 0.00 C ATOM 804 O LEU A 65 6.810 1.668 6.303 1.00 0.00 O ATOM 805 CB LEU A 65 3.824 0.792 5.357 1.00 0.00 C ATOM 806 CG LEU A 65 3.680 2.205 5.927 1.00 0.00 C ATOM 807 CD1 LEU A 65 4.021 3.247 4.872 1.00 0.00 C ATOM 808 CD2 LEU A 65 2.270 2.421 6.457 1.00 0.00 C ATOM 0 H LEU A 65 4.398 -1.533 4.769 1.00 0.00 H new ATOM 0 HA LEU A 65 5.621 0.957 4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.219 0.719 4.454 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.411 0.084 6.076 1.00 0.00 H new ATOM 0 HG LEU A 65 4.381 2.316 6.754 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.912 4.245 5.297 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.049 3.105 4.539 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.346 3.139 4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.183 3.430 6.859 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.553 2.290 5.647 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.063 1.697 7.245 1.00 0.00 H new ATOM 818 N ASN A 66 6.238 -0.348 7.127 1.00 0.00 N ATOM 819 CA ASN A 66 7.078 -0.224 8.314 1.00 0.00 C ATOM 820 C ASN A 66 8.540 -0.016 7.924 1.00 0.00 C ATOM 821 O ASN A 66 9.288 0.668 8.622 1.00 0.00 O ATOM 822 CB ASN A 66 6.944 -1.467 9.195 1.00 0.00 C ATOM 823 CG ASN A 66 7.516 -1.260 10.583 1.00 0.00 C ATOM 824 OD1 ASN A 66 7.564 -0.137 11.086 1.00 0.00 O ATOM 825 ND2 ASN A 66 7.954 -2.345 11.211 1.00 0.00 N ATOM 0 H ASN A 66 5.719 -1.224 7.067 1.00 0.00 H new ATOM 0 HA ASN A 66 6.742 0.647 8.877 1.00 0.00 H new ATOM 0 HB2 ASN A 66 5.892 -1.739 9.276 1.00 0.00 H new ATOM 0 HB3 ASN A 66 7.453 -2.304 8.717 1.00 0.00 H new ATOM 0 HD21 ASN A 66 8.350 -2.267 12.148 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.895 -3.256 10.756 1.00 0.00 H new ATOM 830 N GLU A 67 8.935 -0.606 6.800 1.00 0.00 N ATOM 831 CA GLU A 67 10.302 -0.483 6.310 1.00 0.00 C ATOM 832 C GLU A 67 10.497 0.856 5.609 1.00 0.00 C ATOM 833 O GLU A 67 11.618 1.350 5.492 1.00 0.00 O ATOM 834 CB GLU A 67 10.626 -1.626 5.348 1.00 0.00 C ATOM 835 CG GLU A 67 11.338 -2.796 6.008 1.00 0.00 C ATOM 836 CD GLU A 67 12.285 -3.510 5.064 1.00 0.00 C ATOM 837 OE1 GLU A 67 13.050 -2.820 4.357 1.00 0.00 O ATOM 838 OE2 GLU A 67 12.263 -4.757 5.031 1.00 0.00 O ATOM 0 H GLU A 67 8.326 -1.175 6.211 1.00 0.00 H new ATOM 0 HA GLU A 67 10.979 -0.536 7.163 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.700 -1.983 4.897 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.248 -1.243 4.539 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.896 -2.436 6.873 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.598 -3.505 6.379 1.00 0.00 H new ATOM 841 N GLY A 68 9.395 1.435 5.141 1.00 0.00 N ATOM 842 CA GLY A 68 9.460 2.711 4.454 1.00 0.00 C ATOM 843 C GLY A 68 9.242 2.571 2.961 1.00 0.00 C ATOM 844 O GLY A 68 9.438 3.523 2.206 1.00 0.00 O ATOM 0 H GLY A 68 8.458 1.042 5.226 1.00 0.00 H new ATOM 0 HA2 GLY A 68 8.708 3.383 4.868 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.432 3.170 4.636 1.00 0.00 H new ATOM 848 N TYR A 69 8.832 1.380 2.537 1.00 0.00 N ATOM 849 CA TYR A 69 8.583 1.112 1.126 1.00 0.00 C ATOM 850 C TYR A 69 7.414 1.944 0.614 1.00 0.00 C ATOM 851 O TYR A 69 7.500 2.568 -0.443 1.00 0.00 O ATOM 852 CB TYR A 69 8.296 -0.375 0.911 1.00 0.00 C ATOM 853 CG TYR A 69 9.523 -1.256 0.999 1.00 0.00 C ATOM 854 CD1 TYR A 69 10.653 -0.990 0.236 1.00 0.00 C ATOM 855 CD2 TYR A 69 9.549 -2.358 1.846 1.00 0.00 C ATOM 856 CE1 TYR A 69 11.773 -1.796 0.314 1.00 0.00 C ATOM 857 CE2 TYR A 69 10.665 -3.168 1.931 1.00 0.00 C ATOM 858 CZ TYR A 69 11.775 -2.882 1.163 1.00 0.00 C ATOM 859 OH TYR A 69 12.889 -3.685 1.243 1.00 0.00 O ATOM 0 H TYR A 69 8.665 0.584 3.152 1.00 0.00 H new ATOM 0 HA TYR A 69 9.477 1.388 0.566 1.00 0.00 H new ATOM 0 HB2 TYR A 69 7.570 -0.706 1.653 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.835 -0.508 -0.068 1.00 0.00 H new ATOM 0 HD1 TYR A 69 10.656 -0.139 -0.429 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.682 -2.585 2.448 1.00 0.00 H new ATOM 0 HE1 TYR A 69 12.643 -1.576 -0.287 1.00 0.00 H new ATOM 0 HE2 TYR A 69 10.669 -4.020 2.595 1.00 0.00 H new ATOM 0 HH TYR A 69 13.255 -3.648 2.151 1.00 0.00 H new ATOM 867 N LEU A 70 6.321 1.947 1.370 1.00 0.00 N ATOM 868 CA LEU A 70 5.131 2.701 0.996 1.00 0.00 C ATOM 869 C LEU A 70 5.180 4.112 1.573 1.00 0.00 C ATOM 870 O LEU A 70 6.080 4.447 2.344 1.00 0.00 O ATOM 871 CB LEU A 70 3.869 1.981 1.487 1.00 0.00 C ATOM 872 CG LEU A 70 3.124 1.164 0.428 1.00 0.00 C ATOM 873 CD1 LEU A 70 2.468 2.084 -0.587 1.00 0.00 C ATOM 874 CD2 LEU A 70 4.066 0.186 -0.262 1.00 0.00 C ATOM 0 H LEU A 70 6.235 1.434 2.248 1.00 0.00 H new ATOM 0 HA LEU A 70 5.102 2.771 -0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.146 1.317 2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.184 2.723 1.897 1.00 0.00 H new ATOM 0 HG LEU A 70 2.344 0.588 0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.943 1.487 -1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.759 2.738 -0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.231 2.688 -1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.515 -0.384 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.872 0.737 -0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.486 -0.497 0.476 1.00 0.00 H new ATOM 884 N GLN A 71 4.207 4.935 1.194 1.00 0.00 N ATOM 885 CA GLN A 71 4.136 6.310 1.674 1.00 0.00 C ATOM 886 C GLN A 71 2.694 6.691 2.013 1.00 0.00 C ATOM 887 O GLN A 71 1.856 6.830 1.121 1.00 0.00 O ATOM 888 CB GLN A 71 4.702 7.269 0.623 1.00 0.00 C ATOM 889 CG GLN A 71 5.406 8.479 1.217 1.00 0.00 C ATOM 890 CD GLN A 71 6.466 8.099 2.234 1.00 0.00 C ATOM 891 OE1 GLN A 71 6.539 8.680 3.317 1.00 0.00 O ATOM 892 NE2 GLN A 71 7.294 7.120 1.891 1.00 0.00 N ATOM 0 H GLN A 71 3.456 4.673 0.555 1.00 0.00 H new ATOM 0 HA GLN A 71 4.735 6.387 2.581 1.00 0.00 H new ATOM 0 HB2 GLN A 71 5.403 6.727 -0.011 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.890 7.611 -0.019 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.868 9.055 0.415 1.00 0.00 H new ATOM 0 HG3 GLN A 71 4.669 9.127 1.691 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.198 6.665 0.983 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.026 6.822 2.535 1.00 0.00 H new ATOM 897 N PRO A 72 2.382 6.858 3.314 1.00 0.00 N ATOM 898 CA PRO A 72 1.031 7.215 3.768 1.00 0.00 C ATOM 899 C PRO A 72 0.537 8.533 3.177 1.00 0.00 C ATOM 900 O PRO A 72 1.319 9.457 2.950 1.00 0.00 O ATOM 901 CB PRO A 72 1.184 7.337 5.288 1.00 0.00 C ATOM 902 CG PRO A 72 2.392 6.532 5.616 1.00 0.00 C ATOM 903 CD PRO A 72 3.313 6.705 4.446 1.00 0.00 C ATOM 0 HA PRO A 72 0.295 6.474 3.455 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.308 8.377 5.591 1.00 0.00 H new ATOM 0 HB3 PRO A 72 0.303 6.957 5.806 1.00 0.00 H new ATOM 0 HG2 PRO A 72 2.858 6.880 6.538 1.00 0.00 H new ATOM 0 HG3 PRO A 72 2.137 5.483 5.764 1.00 0.00 H new ATOM 0 HD2 PRO A 72 3.954 7.579 4.562 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.968 5.844 4.317 1.00 0.00 H new ATOM 905 N ALA A 73 -0.769 8.609 2.936 1.00 0.00 N ATOM 906 CA ALA A 73 -1.384 9.810 2.378 1.00 0.00 C ATOM 907 C ALA A 73 -2.718 10.100 3.056 1.00 0.00 C ATOM 908 O ALA A 73 -3.545 9.204 3.226 1.00 0.00 O ATOM 909 CB ALA A 73 -1.576 9.660 0.876 1.00 0.00 C ATOM 0 H ALA A 73 -1.425 7.849 3.119 1.00 0.00 H new ATOM 0 HA ALA A 73 -0.716 10.651 2.562 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.035 10.564 0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.608 9.503 0.399 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.222 8.805 0.675 1.00 0.00 H new ATOM 915 N GLY A 74 -2.920 11.355 3.444 1.00 0.00 N ATOM 916 CA GLY A 74 -4.155 11.740 4.101 1.00 0.00 C ATOM 917 C GLY A 74 -3.956 12.052 5.572 1.00 0.00 C ATOM 918 O GLY A 74 -2.859 11.884 6.104 1.00 0.00 O ATOM 0 H GLY A 74 -2.250 12.113 3.315 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -4.572 12.614 3.601 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -4.884 10.936 3.999 1.00 0.00 H new ATOM 922 N ASP A 75 -5.019 12.507 6.228 1.00 0.00 N ATOM 923 CA ASP A 75 -4.956 12.846 7.646 1.00 0.00 C ATOM 924 C ASP A 75 -5.159 11.607 8.513 1.00 0.00 C ATOM 925 O ASP A 75 -4.737 11.573 9.670 1.00 0.00 O ATOM 926 CB ASP A 75 -6.012 13.900 7.987 1.00 0.00 C ATOM 927 CG ASP A 75 -5.398 15.199 8.473 1.00 0.00 C ATOM 928 OD1 ASP A 75 -4.905 15.974 7.628 1.00 0.00 O ATOM 929 OD2 ASP A 75 -5.411 15.440 9.699 1.00 0.00 O ATOM 0 H ASP A 75 -5.934 12.650 5.801 1.00 0.00 H new ATOM 0 HA ASP A 75 -3.966 13.253 7.852 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -6.622 14.097 7.106 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -6.679 13.507 8.755 1.00 0.00 H new ATOM 932 N MET A 76 -5.805 10.591 7.947 1.00 0.00 N ATOM 933 CA MET A 76 -6.062 9.351 8.669 1.00 0.00 C ATOM 934 C MET A 76 -4.758 8.636 9.006 1.00 0.00 C ATOM 935 O MET A 76 -4.431 8.440 10.177 1.00 0.00 O ATOM 936 CB MET A 76 -6.963 8.430 7.843 1.00 0.00 C ATOM 937 CG MET A 76 -7.434 7.203 8.605 1.00 0.00 C ATOM 938 SD MET A 76 -9.231 7.093 8.703 1.00 0.00 S ATOM 939 CE MET A 76 -9.452 6.757 10.449 1.00 0.00 C ATOM 0 H MET A 76 -6.160 10.603 6.991 1.00 0.00 H new ATOM 0 HA MET A 76 -6.569 9.603 9.601 1.00 0.00 H new ATOM 0 HB2 MET A 76 -7.832 8.993 7.504 1.00 0.00 H new ATOM 0 HB3 MET A 76 -6.423 8.110 6.952 1.00 0.00 H new ATOM 0 HG2 MET A 76 -7.045 6.308 8.120 1.00 0.00 H new ATOM 0 HG3 MET A 76 -7.020 7.225 9.613 1.00 0.00 H new ATOM 0 HE1 MET A 76 -10.515 6.662 10.669 1.00 0.00 H new ATOM 0 HE2 MET A 76 -8.943 5.829 10.708 1.00 0.00 H new ATOM 0 HE3 MET A 76 -9.032 7.576 11.033 1.00 0.00 H new ATOM 945 N SER A 77 -4.017 8.248 7.972 1.00 0.00 N ATOM 946 CA SER A 77 -2.747 7.555 8.157 1.00 0.00 C ATOM 947 C SER A 77 -1.749 8.437 8.899 1.00 0.00 C ATOM 948 O SER A 77 -0.925 7.946 9.670 1.00 0.00 O ATOM 949 CB SER A 77 -2.169 7.136 6.804 1.00 0.00 C ATOM 950 OG SER A 77 -3.172 6.583 5.970 1.00 0.00 O ATOM 0 H SER A 77 -4.275 8.402 6.997 1.00 0.00 H new ATOM 0 HA SER A 77 -2.932 6.664 8.757 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.720 8.000 6.314 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.374 6.406 6.955 1.00 0.00 H new ATOM 0 HG SER A 77 -2.802 5.825 5.472 1.00 0.00 H new ATOM 954 N LYS A 78 -1.832 9.743 8.662 1.00 0.00 N ATOM 955 CA LYS A 78 -0.938 10.699 9.307 1.00 0.00 C ATOM 956 C LYS A 78 -1.157 10.716 10.816 1.00 0.00 C ATOM 957 O LYS A 78 -0.246 11.035 11.582 1.00 0.00 O ATOM 958 CB LYS A 78 -1.156 12.100 8.733 1.00 0.00 C ATOM 959 CG LYS A 78 0.060 12.661 8.016 1.00 0.00 C ATOM 960 CD LYS A 78 0.885 13.552 8.930 1.00 0.00 C ATOM 961 CE LYS A 78 0.459 15.007 8.820 1.00 0.00 C ATOM 962 NZ LYS A 78 1.052 15.671 7.627 1.00 0.00 N ATOM 0 H LYS A 78 -2.510 10.164 8.027 1.00 0.00 H new ATOM 0 HA LYS A 78 0.088 10.389 9.110 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.996 12.072 8.039 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.434 12.776 9.542 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.678 11.841 7.651 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.261 13.231 7.144 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.777 13.217 9.962 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.941 13.460 8.674 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.628 15.064 8.764 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.760 15.542 9.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.737 16.661 7.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.089 15.640 7.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.744 15.176 6.766 1.00 0.00 H new ATOM 968 N SER A 79 -2.369 10.371 11.237 1.00 0.00 N ATOM 969 CA SER A 79 -2.710 10.344 12.655 1.00 0.00 C ATOM 970 C SER A 79 -2.349 9.000 13.277 1.00 0.00 C ATOM 971 O SER A 79 -2.068 8.914 14.471 1.00 0.00 O ATOM 972 CB SER A 79 -4.203 10.624 12.848 1.00 0.00 C ATOM 973 OG SER A 79 -4.579 10.473 14.206 1.00 0.00 O ATOM 0 H SER A 79 -3.133 10.106 10.615 1.00 0.00 H new ATOM 0 HA SER A 79 -2.133 11.122 13.156 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.432 11.636 12.514 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.787 9.944 12.228 1.00 0.00 H new ATOM 0 HG SER A 79 -5.536 10.659 14.303 1.00 0.00 H new ATOM 977 N ALA A 80 -2.357 7.954 12.455 1.00 0.00 N ATOM 978 CA ALA A 80 -2.031 6.612 12.922 1.00 0.00 C ATOM 979 C ALA A 80 -0.557 6.504 13.302 1.00 0.00 C ATOM 980 O ALA A 80 -0.210 5.882 14.306 1.00 0.00 O ATOM 981 CB ALA A 80 -2.378 5.585 11.855 1.00 0.00 C ATOM 0 H ALA A 80 -2.586 8.011 11.463 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.624 6.411 13.814 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -2.130 4.587 12.216 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -3.444 5.636 11.634 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.809 5.795 10.949 1.00 0.00 H new ATOM 987 N VAL A 81 0.306 7.111 12.493 1.00 0.00 N ATOM 988 CA VAL A 81 1.742 7.080 12.746 1.00 0.00 C ATOM 989 C VAL A 81 2.155 8.177 13.722 1.00 0.00 C ATOM 990 O VAL A 81 3.316 8.258 14.122 1.00 0.00 O ATOM 991 CB VAL A 81 2.551 7.239 11.444 1.00 0.00 C ATOM 992 CG1 VAL A 81 2.540 5.943 10.648 1.00 0.00 C ATOM 993 CG2 VAL A 81 2.010 8.392 10.611 1.00 0.00 C ATOM 0 H VAL A 81 0.036 7.630 11.657 1.00 0.00 H new ATOM 0 HA VAL A 81 1.960 6.106 13.183 1.00 0.00 H new ATOM 0 HB VAL A 81 3.584 7.469 11.707 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.116 6.074 9.732 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.983 5.146 11.245 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.513 5.679 10.396 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.596 8.486 9.697 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.968 8.199 10.356 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.078 9.317 11.183 1.00 0.00 H new ATOM 1003 N ASP A 82 1.199 9.018 14.099 1.00 0.00 N ATOM 1004 CA ASP A 82 1.465 10.109 15.029 1.00 0.00 C ATOM 1005 C ASP A 82 1.643 9.581 16.449 1.00 0.00 C ATOM 1006 O ASP A 82 2.738 9.638 17.010 1.00 0.00 O ATOM 1007 CB ASP A 82 0.330 11.132 14.989 1.00 0.00 C ATOM 1008 CG ASP A 82 0.679 12.415 15.719 1.00 0.00 C ATOM 1009 OD1 ASP A 82 1.875 12.622 16.020 1.00 0.00 O ATOM 1010 OD2 ASP A 82 -0.244 13.213 15.990 1.00 0.00 O ATOM 0 H ASP A 82 0.233 8.965 13.775 1.00 0.00 H new ATOM 0 HA ASP A 82 2.391 10.596 14.723 1.00 0.00 H new ATOM 0 HB2 ASP A 82 0.089 11.362 13.951 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.564 10.696 15.435 1.00 0.00 H new ATOM 1013 N GLY A 83 0.561 9.065 17.024 1.00 0.00 N ATOM 1014 CA GLY A 83 0.620 8.531 18.373 1.00 0.00 C ATOM 1015 C GLY A 83 1.139 7.107 18.409 1.00 0.00 C ATOM 1016 O GLY A 83 2.345 6.876 18.304 1.00 0.00 O ATOM 0 H GLY A 83 -0.355 9.007 16.580 1.00 0.00 H new ATOM 0 HA2 GLY A 83 1.263 9.165 18.984 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -0.375 8.564 18.818 1.00 0.00 H new ATOM 1020 N THR A 84 0.227 6.150 18.553 1.00 0.00 N ATOM 1021 CA THR A 84 0.600 4.742 18.599 1.00 0.00 C ATOM 1022 C THR A 84 0.865 4.203 17.197 1.00 0.00 C ATOM 1023 O THR A 84 -0.063 4.005 16.411 1.00 0.00 O ATOM 1024 CB THR A 84 -0.498 3.893 19.265 1.00 0.00 C ATOM 1025 OG1 THR A 84 -1.267 4.703 20.160 1.00 0.00 O ATOM 1026 CG2 THR A 84 0.110 2.723 20.026 1.00 0.00 C ATOM 0 H THR A 84 -0.774 6.325 18.640 1.00 0.00 H new ATOM 0 HA THR A 84 1.511 4.672 19.193 1.00 0.00 H new ATOM 0 HB THR A 84 -1.147 3.499 18.483 1.00 0.00 H new ATOM 0 HG1 THR A 84 -1.964 4.156 20.579 1.00 0.00 H new ATOM 0 HG21 THR A 84 -0.685 2.137 20.488 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.671 2.093 19.336 1.00 0.00 H new ATOM 0 HG23 THR A 84 0.779 3.100 20.799 1.00 0.00 H new ATOM 1034 N ALA A 85 2.137 3.969 16.890 1.00 0.00 N ATOM 1035 CA ALA A 85 2.529 3.454 15.582 1.00 0.00 C ATOM 1036 C ALA A 85 2.497 1.931 15.555 1.00 0.00 C ATOM 1037 O ALA A 85 3.109 1.304 14.691 1.00 0.00 O ATOM 1038 CB ALA A 85 3.913 3.963 15.210 1.00 0.00 C ATOM 0 H ALA A 85 2.915 4.128 17.530 1.00 0.00 H new ATOM 0 HA ALA A 85 1.810 3.816 14.847 1.00 0.00 H new ATOM 0 HB1 ALA A 85 4.194 3.572 14.232 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.903 5.052 15.176 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.636 3.630 15.955 1.00 0.00 H new ATOM 1044 N GLU A 86 1.777 1.341 16.507 1.00 0.00 N ATOM 1045 CA GLU A 86 1.664 -0.111 16.590 1.00 0.00 C ATOM 1046 C GLU A 86 1.030 -0.676 15.326 1.00 0.00 C ATOM 1047 O GLU A 86 1.326 -1.798 14.914 1.00 0.00 O ATOM 1048 CB GLU A 86 0.838 -0.511 17.815 1.00 0.00 C ATOM 1049 CG GLU A 86 1.007 -1.969 18.213 1.00 0.00 C ATOM 1050 CD GLU A 86 -0.297 -2.610 18.645 1.00 0.00 C ATOM 1051 OE1 GLU A 86 -1.055 -1.965 19.399 1.00 0.00 O ATOM 1052 OE2 GLU A 86 -0.562 -3.758 18.228 1.00 0.00 O ATOM 0 H GLU A 86 1.264 1.846 17.230 1.00 0.00 H new ATOM 0 HA GLU A 86 2.667 -0.526 16.689 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.121 0.122 18.656 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -0.215 -0.318 17.611 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.420 -2.526 17.372 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.729 -2.038 19.027 1.00 0.00 H new ATOM 1055 N ASN A 87 0.160 0.117 14.713 1.00 0.00 N ATOM 1056 CA ASN A 87 -0.522 -0.288 13.489 1.00 0.00 C ATOM 1057 C ASN A 87 -0.413 0.804 12.425 1.00 0.00 C ATOM 1058 O ASN A 87 -1.310 1.635 12.286 1.00 0.00 O ATOM 1059 CB ASN A 87 -1.992 -0.599 13.774 1.00 0.00 C ATOM 1060 CG ASN A 87 -2.281 -0.726 15.258 1.00 0.00 C ATOM 1061 OD1 ASN A 87 -1.791 -1.800 15.866 1.00 0.00 O flip ATOM 1062 ND2 ASN A 87 -2.935 0.132 15.852 1.00 0.00 N flip ATOM 0 H ASN A 87 -0.091 1.048 15.045 1.00 0.00 H new ATOM 0 HA ASN A 87 -0.039 -1.190 13.112 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.615 0.189 13.352 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.268 -1.527 13.273 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -3.293 0.942 15.346 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.119 0.033 16.850 1.00 0.00 H new ATOM 1067 N PRO A 88 0.697 0.821 11.660 1.00 0.00 N ATOM 1068 CA PRO A 88 0.914 1.825 10.614 1.00 0.00 C ATOM 1069 C PRO A 88 0.039 1.593 9.386 1.00 0.00 C ATOM 1070 O PRO A 88 -0.629 2.508 8.909 1.00 0.00 O ATOM 1071 CB PRO A 88 2.391 1.652 10.260 1.00 0.00 C ATOM 1072 CG PRO A 88 2.696 0.231 10.587 1.00 0.00 C ATOM 1073 CD PRO A 88 1.823 -0.129 11.759 1.00 0.00 C ATOM 0 HA PRO A 88 0.656 2.828 10.955 1.00 0.00 H new ATOM 0 HB2 PRO A 88 2.573 1.863 9.206 1.00 0.00 H new ATOM 0 HB3 PRO A 88 3.018 2.334 10.835 1.00 0.00 H new ATOM 0 HG2 PRO A 88 2.490 -0.417 9.735 1.00 0.00 H new ATOM 0 HG3 PRO A 88 3.750 0.107 10.835 1.00 0.00 H new ATOM 0 HD2 PRO A 88 1.481 -1.163 11.702 1.00 0.00 H new ATOM 0 HD3 PRO A 88 2.356 -0.021 12.704 1.00 0.00 H new ATOM 1075 N PHE A 89 0.054 0.365 8.878 1.00 0.00 N ATOM 1076 CA PHE A 89 -0.737 0.017 7.701 1.00 0.00 C ATOM 1077 C PHE A 89 -2.206 -0.165 8.063 1.00 0.00 C ATOM 1078 O PHE A 89 -2.545 -0.960 8.940 1.00 0.00 O ATOM 1079 CB PHE A 89 -0.196 -1.261 7.056 1.00 0.00 C ATOM 1080 CG PHE A 89 -0.564 -1.404 5.606 1.00 0.00 C ATOM 1081 CD1 PHE A 89 -1.791 -1.931 5.237 1.00 0.00 C ATOM 1082 CD2 PHE A 89 0.319 -1.010 4.613 1.00 0.00 C ATOM 1083 CE1 PHE A 89 -2.131 -2.063 3.904 1.00 0.00 C ATOM 1084 CE2 PHE A 89 -0.017 -1.139 3.280 1.00 0.00 C ATOM 1085 CZ PHE A 89 -1.243 -1.665 2.923 1.00 0.00 C ATOM 0 H PHE A 89 0.603 -0.405 9.261 1.00 0.00 H new ATOM 0 HA PHE A 89 -0.658 0.838 6.988 1.00 0.00 H new ATOM 0 HB2 PHE A 89 0.890 -1.274 7.150 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.574 -2.123 7.605 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.490 -2.242 6.000 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.280 -0.598 4.885 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.090 -2.477 3.629 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.680 -0.828 2.516 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.507 -1.765 1.881 1.00 0.00 H new ATOM 1093 N LEU A 90 -3.074 0.575 7.380 1.00 0.00 N ATOM 1094 CA LEU A 90 -4.508 0.494 7.629 1.00 0.00 C ATOM 1095 C LEU A 90 -5.224 -0.158 6.451 1.00 0.00 C ATOM 1096 O LEU A 90 -5.059 0.257 5.304 1.00 0.00 O ATOM 1097 CB LEU A 90 -5.083 1.887 7.883 1.00 0.00 C ATOM 1098 CG LEU A 90 -4.304 2.736 8.889 1.00 0.00 C ATOM 1099 CD1 LEU A 90 -4.739 4.192 8.806 1.00 0.00 C ATOM 1100 CD2 LEU A 90 -4.493 2.201 10.301 1.00 0.00 C ATOM 0 H LEU A 90 -2.809 1.237 6.650 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.665 -0.121 8.515 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.127 2.423 6.935 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.108 1.781 8.237 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.244 2.678 8.640 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.175 4.782 9.528 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.551 4.571 7.802 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.803 4.267 9.029 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.931 2.818 11.002 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -5.551 2.227 10.561 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.132 1.174 10.352 1.00 0.00 H new ATOM 1110 N ASP A 91 -6.022 -1.180 6.744 1.00 0.00 N ATOM 1111 CA ASP A 91 -6.765 -1.894 5.712 1.00 0.00 C ATOM 1112 C ASP A 91 -8.097 -1.205 5.421 1.00 0.00 C ATOM 1113 O ASP A 91 -9.121 -1.863 5.233 1.00 0.00 O ATOM 1114 CB ASP A 91 -7.007 -3.342 6.141 1.00 0.00 C ATOM 1115 CG ASP A 91 -7.874 -3.444 7.383 1.00 0.00 C ATOM 1116 OD1 ASP A 91 -7.515 -2.830 8.410 1.00 0.00 O ATOM 1117 OD2 ASP A 91 -8.911 -4.137 7.326 1.00 0.00 O ATOM 0 H ASP A 91 -6.171 -1.533 7.689 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.169 -1.887 4.799 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -7.483 -3.885 5.324 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -6.049 -3.826 6.330 1.00 0.00 H new ATOM 1120 N ASN A 92 -8.075 0.125 5.383 1.00 0.00 N ATOM 1121 CA ASN A 92 -9.280 0.904 5.113 1.00 0.00 C ATOM 1122 C ASN A 92 -9.108 1.756 3.857 1.00 0.00 C ATOM 1123 O ASN A 92 -8.007 2.215 3.558 1.00 0.00 O ATOM 1124 CB ASN A 92 -9.609 1.800 6.307 1.00 0.00 C ATOM 1125 CG ASN A 92 -9.612 1.040 7.619 1.00 0.00 C ATOM 1126 OD1 ASN A 92 -8.619 1.032 8.347 1.00 0.00 O ATOM 1127 ND2 ASN A 92 -10.731 0.397 7.929 1.00 0.00 N ATOM 0 H ASN A 92 -7.236 0.685 5.536 1.00 0.00 H new ATOM 0 HA ASN A 92 -10.103 0.209 4.949 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -8.881 2.610 6.361 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -10.586 2.259 6.154 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -10.792 -0.130 8.800 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -11.530 0.430 7.296 1.00 0.00 H new ATOM 1132 N PRO A 93 -10.201 1.982 3.102 1.00 0.00 N ATOM 1133 CA PRO A 93 -10.158 2.787 1.877 1.00 0.00 C ATOM 1134 C PRO A 93 -9.951 4.270 2.166 1.00 0.00 C ATOM 1135 O PRO A 93 -9.488 5.022 1.308 1.00 0.00 O ATOM 1136 CB PRO A 93 -11.533 2.552 1.249 1.00 0.00 C ATOM 1137 CG PRO A 93 -12.419 2.227 2.402 1.00 0.00 C ATOM 1138 CD PRO A 93 -11.560 1.477 3.382 1.00 0.00 C ATOM 0 HA PRO A 93 -9.326 2.504 1.232 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -11.883 3.437 0.717 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -11.505 1.736 0.527 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -12.824 3.134 2.851 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -13.268 1.622 2.084 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -11.858 1.675 4.412 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -11.627 0.399 3.233 1.00 0.00 H new ATOM 1140 N ASP A 94 -10.298 4.686 3.382 1.00 0.00 N ATOM 1141 CA ASP A 94 -10.150 6.080 3.785 1.00 0.00 C ATOM 1142 C ASP A 94 -8.678 6.481 3.825 1.00 0.00 C ATOM 1143 O ASP A 94 -8.331 7.630 3.553 1.00 0.00 O ATOM 1144 CB ASP A 94 -10.792 6.306 5.155 1.00 0.00 C ATOM 1145 CG ASP A 94 -12.286 6.543 5.058 1.00 0.00 C ATOM 1146 OD1 ASP A 94 -12.711 7.283 4.147 1.00 0.00 O ATOM 1147 OD2 ASP A 94 -13.031 5.987 5.893 1.00 0.00 O ATOM 0 H ASP A 94 -10.683 4.077 4.104 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.656 6.703 3.048 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -10.604 5.440 5.789 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -10.321 7.162 5.638 1.00 0.00 H new ATOM 1150 N ALA A 95 -7.820 5.524 4.162 1.00 0.00 N ATOM 1151 CA ALA A 95 -6.385 5.774 4.234 1.00 0.00 C ATOM 1152 C ALA A 95 -5.721 5.518 2.884 1.00 0.00 C ATOM 1153 O ALA A 95 -5.945 4.482 2.259 1.00 0.00 O ATOM 1154 CB ALA A 95 -5.752 4.910 5.312 1.00 0.00 C ATOM 0 H ALA A 95 -8.093 4.568 4.390 1.00 0.00 H new ATOM 0 HA ALA A 95 -6.232 6.822 4.493 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -4.681 5.107 5.354 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -6.202 5.144 6.277 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -5.918 3.858 5.079 1.00 0.00 H new ATOM 1160 N PHE A 96 -4.908 6.473 2.438 1.00 0.00 N ATOM 1161 CA PHE A 96 -4.219 6.353 1.158 1.00 0.00 C ATOM 1162 C PHE A 96 -2.770 5.921 1.343 1.00 0.00 C ATOM 1163 O PHE A 96 -2.154 6.194 2.373 1.00 0.00 O ATOM 1164 CB PHE A 96 -4.259 7.682 0.404 1.00 0.00 C ATOM 1165 CG PHE A 96 -5.625 8.297 0.330 1.00 0.00 C ATOM 1166 CD1 PHE A 96 -6.674 7.619 -0.270 1.00 0.00 C ATOM 1167 CD2 PHE A 96 -5.857 9.556 0.858 1.00 0.00 C ATOM 1168 CE1 PHE A 96 -7.930 8.186 -0.340 1.00 0.00 C ATOM 1169 CE2 PHE A 96 -7.111 10.129 0.790 1.00 0.00 C ATOM 1170 CZ PHE A 96 -8.149 9.443 0.190 1.00 0.00 C ATOM 0 H PHE A 96 -4.711 7.337 2.944 1.00 0.00 H new ATOM 0 HA PHE A 96 -4.737 5.588 0.579 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -3.581 8.384 0.889 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -3.886 7.526 -0.608 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -6.507 6.637 -0.687 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -5.048 10.095 1.328 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -8.741 7.648 -0.808 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -7.280 11.112 1.205 1.00 0.00 H new ATOM 0 HZ PHE A 96 -9.131 9.889 0.135 1.00 0.00 H new ATOM 1178 N TYR A 97 -2.233 5.253 0.327 1.00 0.00 N ATOM 1179 CA TYR A 97 -0.854 4.782 0.347 1.00 0.00 C ATOM 1180 C TYR A 97 -0.295 4.741 -1.073 1.00 0.00 C ATOM 1181 O TYR A 97 -0.652 3.868 -1.859 1.00 0.00 O ATOM 1182 CB TYR A 97 -0.770 3.390 0.980 1.00 0.00 C ATOM 1183 CG TYR A 97 -1.099 3.368 2.457 1.00 0.00 C ATOM 1184 CD1 TYR A 97 -0.184 3.821 3.398 1.00 0.00 C ATOM 1185 CD2 TYR A 97 -2.326 2.896 2.907 1.00 0.00 C ATOM 1186 CE1 TYR A 97 -0.482 3.805 4.748 1.00 0.00 C ATOM 1187 CE2 TYR A 97 -2.632 2.877 4.256 1.00 0.00 C ATOM 1188 CZ TYR A 97 -1.706 3.332 5.172 1.00 0.00 C ATOM 1189 OH TYR A 97 -2.007 3.315 6.514 1.00 0.00 O ATOM 0 H TYR A 97 -2.739 5.024 -0.529 1.00 0.00 H new ATOM 0 HA TYR A 97 -0.261 5.473 0.946 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.453 2.721 0.456 1.00 0.00 H new ATOM 0 HB3 TYR A 97 0.236 2.996 0.836 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.776 4.192 3.070 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -3.052 2.538 2.192 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.241 4.161 5.467 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -3.590 2.508 4.590 1.00 0.00 H new ATOM 0 HH TYR A 97 -1.246 2.954 7.015 1.00 0.00 H new ATOM 1197 N TYR A 98 0.575 5.694 -1.397 1.00 0.00 N ATOM 1198 CA TYR A 98 1.170 5.760 -2.730 1.00 0.00 C ATOM 1199 C TYR A 98 2.624 5.301 -2.701 1.00 0.00 C ATOM 1200 O TYR A 98 3.152 4.945 -1.648 1.00 0.00 O ATOM 1201 CB TYR A 98 1.085 7.186 -3.281 1.00 0.00 C ATOM 1202 CG TYR A 98 1.782 8.218 -2.422 1.00 0.00 C ATOM 1203 CD1 TYR A 98 1.127 8.812 -1.350 1.00 0.00 C ATOM 1204 CD2 TYR A 98 3.093 8.597 -2.683 1.00 0.00 C ATOM 1205 CE1 TYR A 98 1.760 9.755 -0.563 1.00 0.00 C ATOM 1206 CE2 TYR A 98 3.732 9.539 -1.900 1.00 0.00 C ATOM 1207 CZ TYR A 98 3.062 10.115 -0.842 1.00 0.00 C ATOM 1208 OH TYR A 98 3.696 11.053 -0.059 1.00 0.00 O ATOM 0 H TYR A 98 0.883 6.428 -0.759 1.00 0.00 H new ATOM 0 HA TYR A 98 0.609 5.091 -3.383 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.520 7.205 -4.280 1.00 0.00 H new ATOM 0 HB3 TYR A 98 0.036 7.463 -3.385 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.108 8.532 -1.129 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.621 8.148 -3.511 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.238 10.208 0.267 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.751 9.823 -2.116 1.00 0.00 H new ATOM 0 HH TYR A 98 4.608 11.192 -0.389 1.00 0.00 H new ATOM 1216 N PHE A 99 3.269 5.318 -3.865 1.00 0.00 N ATOM 1217 CA PHE A 99 4.664 4.908 -3.971 1.00 0.00 C ATOM 1218 C PHE A 99 5.587 6.124 -3.882 1.00 0.00 C ATOM 1219 O PHE A 99 5.277 7.185 -4.424 1.00 0.00 O ATOM 1220 CB PHE A 99 4.907 4.162 -5.286 1.00 0.00 C ATOM 1221 CG PHE A 99 4.568 2.695 -5.228 1.00 0.00 C ATOM 1222 CD1 PHE A 99 4.961 1.914 -4.149 1.00 0.00 C ATOM 1223 CD2 PHE A 99 3.857 2.097 -6.256 1.00 0.00 C ATOM 1224 CE1 PHE A 99 4.650 0.568 -4.101 1.00 0.00 C ATOM 1225 CE2 PHE A 99 3.543 0.751 -6.212 1.00 0.00 C ATOM 1226 CZ PHE A 99 3.940 -0.014 -5.133 1.00 0.00 C ATOM 0 H PHE A 99 2.847 5.611 -4.746 1.00 0.00 H new ATOM 0 HA PHE A 99 4.886 4.237 -3.142 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.316 4.631 -6.073 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.955 4.272 -5.566 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.516 2.363 -3.338 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.544 2.690 -7.103 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.962 -0.029 -3.257 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.988 0.299 -7.020 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.696 -1.065 -5.096 1.00 0.00 H new TER 1234 PHE A 99