USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 906 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 61 SER OG : rot 170:sc= 0 USER MOD Set 1.2: A 64 HIS : no HD1:sc= -2.83 K(o=-2.8,f=-1.9) USER MOD Set 1.3: A 66 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 47 MET CE :methyl -177:sc= 0 (180deg=-0.00462) USER MOD Set 2.2: A 49 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 16 HIS : no HE2:sc= -0.21 K(o=-3.7,f=-3.2) USER MOD Set 3.2: A 19 HIS : no HD1:sc= -3.53 K(o=-3.7,f=-3.1) USER MOD Set 4.1: A 3 HIS : no HE2:sc= -2.13 K(o=-2.3,f=-5.8!) USER MOD Set 4.2: A 4 MET CE :methyl 163:sc= -0.176 (180deg=-0.874) USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0896 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= -0.217 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot -53:sc= 1.1 USER MOD Single : A 28 SER OG : rot -71:sc= 0.807 USER MOD Single : A 33 THR OG1 : rot 165:sc= 0.892 USER MOD Single : A 36 ASN : amide:sc= -0.0295 X(o=-0.029,f=-0.2) USER MOD Single : A 40 GLN : amide:sc= -0.048 K(o=-0.048,f=-2.7!) USER MOD Single : A 41 MET CE :methyl -103:sc= -0.124 (180deg=-1.83) USER MOD Single : A 42 LYS NZ :NH3+ -122:sc= 0.118 (180deg=0.00178) USER MOD Single : A 44 ASN : amide:sc= -0.102 K(o=-0.1,f=-1) USER MOD Single : A 45 THR OG1 : rot -16:sc= 0.00692 USER MOD Single : A 50 ASN : amide:sc=-0.00908 X(o=-0.0091,f=-0.14) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 76:sc= 0.417 USER MOD Single : A 59 SER OG : rot 160:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.00862 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.51) USER MOD Single : A 68 SER OG : rot -132:sc= 0.918 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc=-0.00997 K(o=-0.01,f=-1.8) USER MOD Single : A 83 GLN : amide:sc= 0.577 K(o=0.58,f=0) USER MOD Single : A 86 TYR OH : rot -95:sc= 0.0514 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot -35:sc= 1.26 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -0.0273 X(o=-0.027,f=-0.098) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 103 TYR OH : rot 165:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -173:sc= 1.15 (180deg=1.06) USER MOD Single : A 108 GLN : amide:sc= -0.458 K(o=-0.46,f=-4.3!) USER MOD Single : A 109 MET CE :methyl -134:sc= -0.572 (180deg=-4.18!) USER MOD Single : A 113 ASN : amide:sc= -0.0255 K(o=-0.026,f=-3.3!) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.385 -1.406 9.575 1.00 0.00 N ATOM 2 CA GLY A 1 -16.583 -2.605 8.749 1.00 0.00 C ATOM 3 C GLY A 1 -15.442 -3.597 8.939 1.00 0.00 C ATOM 4 O GLY A 1 -14.447 -3.318 9.619 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.097 -1.385 10.332 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.434 -1.427 9.995 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.484 -0.557 8.983 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.529 -3.079 9.012 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.650 -2.320 7.699 1.00 0.00 H new ATOM 8 N SER A 2 -15.566 -4.785 8.341 1.00 0.00 N ATOM 9 CA SER A 2 -14.549 -5.836 8.422 1.00 0.00 C ATOM 10 C SER A 2 -13.301 -5.552 7.588 1.00 0.00 C ATOM 11 O SER A 2 -12.349 -6.310 7.731 1.00 0.00 O ATOM 12 CB SER A 2 -15.136 -7.139 7.890 1.00 0.00 C ATOM 13 OG SER A 2 -16.156 -7.605 8.746 1.00 0.00 O ATOM 0 H SER A 2 -16.380 -5.046 7.784 1.00 0.00 H new ATOM 0 HA SER A 2 -14.259 -5.890 9.471 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.536 -6.983 6.888 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.351 -7.891 7.806 1.00 0.00 H new ATOM 0 HG SER A 2 -16.525 -8.441 8.391 1.00 0.00 H new ATOM 19 N HIS A 3 -13.326 -4.536 6.713 1.00 0.00 N ATOM 20 CA HIS A 3 -12.407 -4.175 5.623 1.00 0.00 C ATOM 21 C HIS A 3 -12.085 -5.308 4.638 1.00 0.00 C ATOM 22 O HIS A 3 -12.212 -5.096 3.434 1.00 0.00 O ATOM 23 CB HIS A 3 -11.171 -3.391 6.102 1.00 0.00 C ATOM 24 CG HIS A 3 -10.091 -4.271 6.661 1.00 0.00 C ATOM 25 ND1 HIS A 3 -10.029 -4.770 7.940 1.00 0.00 N ATOM 26 CD2 HIS A 3 -9.124 -4.893 5.923 1.00 0.00 C ATOM 27 CE1 HIS A 3 -9.110 -5.747 7.944 1.00 0.00 C ATOM 28 NE2 HIS A 3 -8.523 -5.842 6.743 1.00 0.00 N ATOM 0 H HIS A 3 -14.090 -3.862 6.760 1.00 0.00 H new ATOM 0 HA HIS A 3 -12.980 -3.474 5.016 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -10.767 -2.817 5.268 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -11.477 -2.674 6.864 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -10.580 -4.456 8.739 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -8.873 -4.686 4.893 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -8.876 -6.369 8.795 1.00 0.00 H new ATOM 36 N MET A 4 -11.744 -6.511 5.107 1.00 0.00 N ATOM 37 CA MET A 4 -11.491 -7.703 4.303 1.00 0.00 C ATOM 38 C MET A 4 -12.638 -7.918 3.332 1.00 0.00 C ATOM 39 O MET A 4 -12.397 -8.146 2.162 1.00 0.00 O ATOM 40 CB MET A 4 -11.371 -8.955 5.183 1.00 0.00 C ATOM 41 CG MET A 4 -10.175 -8.957 6.127 1.00 0.00 C ATOM 42 SD MET A 4 -8.646 -9.751 5.560 1.00 0.00 S ATOM 43 CE MET A 4 -8.094 -8.654 4.233 1.00 0.00 C ATOM 0 H MET A 4 -11.632 -6.686 6.106 1.00 0.00 H new ATOM 0 HA MET A 4 -10.553 -7.548 3.769 1.00 0.00 H new ATOM 0 HB2 MET A 4 -12.282 -9.057 5.773 1.00 0.00 H new ATOM 0 HB3 MET A 4 -11.309 -9.831 4.538 1.00 0.00 H new ATOM 0 HG2 MET A 4 -9.942 -7.921 6.373 1.00 0.00 H new ATOM 0 HG3 MET A 4 -10.481 -9.444 7.053 1.00 0.00 H new ATOM 0 HE1 MET A 4 -7.044 -8.848 4.013 1.00 0.00 H new ATOM 0 HE2 MET A 4 -8.691 -8.835 3.339 1.00 0.00 H new ATOM 0 HE3 MET A 4 -8.213 -7.617 4.545 1.00 0.00 H new ATOM 53 N GLU A 5 -13.885 -7.774 3.785 1.00 0.00 N ATOM 54 CA GLU A 5 -15.062 -7.951 2.945 1.00 0.00 C ATOM 55 C GLU A 5 -15.065 -7.099 1.683 1.00 0.00 C ATOM 56 O GLU A 5 -15.608 -7.509 0.652 1.00 0.00 O ATOM 57 CB GLU A 5 -16.345 -7.685 3.717 1.00 0.00 C ATOM 58 CG GLU A 5 -16.423 -6.316 4.384 1.00 0.00 C ATOM 59 CD GLU A 5 -17.531 -6.242 5.440 1.00 0.00 C ATOM 60 OE1 GLU A 5 -18.437 -7.119 5.467 1.00 0.00 O ATOM 61 OE2 GLU A 5 -17.482 -5.325 6.284 1.00 0.00 O ATOM 0 H GLU A 5 -14.103 -7.530 4.751 1.00 0.00 H new ATOM 0 HA GLU A 5 -15.016 -8.995 2.634 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -17.190 -7.789 3.036 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -16.456 -8.453 4.483 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.465 -6.087 4.850 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -16.598 -5.554 3.624 1.00 0.00 H new ATOM 68 N VAL A 6 -14.486 -5.911 1.757 1.00 0.00 N ATOM 69 CA VAL A 6 -14.366 -5.015 0.616 1.00 0.00 C ATOM 70 C VAL A 6 -13.244 -5.464 -0.322 1.00 0.00 C ATOM 71 O VAL A 6 -13.361 -5.310 -1.536 1.00 0.00 O ATOM 72 CB VAL A 6 -14.165 -3.567 1.099 1.00 0.00 C ATOM 73 CG1 VAL A 6 -14.028 -2.614 -0.091 1.00 0.00 C ATOM 74 CG2 VAL A 6 -15.361 -3.137 1.951 1.00 0.00 C ATOM 0 H VAL A 6 -14.083 -5.538 2.617 1.00 0.00 H new ATOM 0 HA VAL A 6 -15.292 -5.052 0.042 1.00 0.00 H new ATOM 0 HB VAL A 6 -13.252 -3.526 1.692 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -13.887 -1.596 0.272 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -13.169 -2.906 -0.694 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -14.931 -2.660 -0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -15.215 -2.112 2.291 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -16.272 -3.196 1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -15.449 -3.797 2.814 1.00 0.00 H new ATOM 84 N PHE A 7 -12.180 -6.048 0.214 1.00 0.00 N ATOM 85 CA PHE A 7 -10.986 -6.504 -0.493 1.00 0.00 C ATOM 86 C PHE A 7 -10.805 -8.037 -0.482 1.00 0.00 C ATOM 87 O PHE A 7 -9.663 -8.484 -0.478 1.00 0.00 O ATOM 88 CB PHE A 7 -9.736 -5.841 0.119 1.00 0.00 C ATOM 89 CG PHE A 7 -9.751 -4.391 0.568 1.00 0.00 C ATOM 90 CD1 PHE A 7 -9.752 -3.344 -0.372 1.00 0.00 C ATOM 91 CD2 PHE A 7 -9.532 -4.102 1.929 1.00 0.00 C ATOM 92 CE1 PHE A 7 -9.510 -2.022 0.037 1.00 0.00 C ATOM 93 CE2 PHE A 7 -9.257 -2.788 2.337 1.00 0.00 C ATOM 94 CZ PHE A 7 -9.230 -1.754 1.386 1.00 0.00 C ATOM 0 H PHE A 7 -12.122 -6.228 1.216 1.00 0.00 H new ATOM 0 HA PHE A 7 -11.116 -6.210 -1.535 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -9.451 -6.439 0.985 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -8.934 -5.938 -0.613 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -9.940 -3.558 -1.414 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -9.576 -4.895 2.661 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -9.539 -1.217 -0.682 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -9.067 -2.572 3.378 1.00 0.00 H new ATOM 0 HZ PHE A 7 -8.992 -0.747 1.695 1.00 0.00 H new ATOM 104 N ALA A 8 -11.850 -8.869 -0.491 1.00 0.00 N ATOM 105 CA ALA A 8 -11.697 -10.333 -0.448 1.00 0.00 C ATOM 106 C ALA A 8 -12.240 -11.045 -1.686 1.00 0.00 C ATOM 107 O ALA A 8 -11.907 -12.210 -1.920 1.00 0.00 O ATOM 108 CB ALA A 8 -12.381 -10.874 0.807 1.00 0.00 C ATOM 0 H ALA A 8 -12.820 -8.554 -0.528 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.627 -10.539 -0.426 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.270 -11.958 0.843 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.921 -10.433 1.691 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.440 -10.618 0.783 1.00 0.00 H new ATOM 114 N GLU A 9 -13.046 -10.371 -2.501 1.00 0.00 N ATOM 115 CA GLU A 9 -13.562 -10.911 -3.746 1.00 0.00 C ATOM 116 C GLU A 9 -12.592 -10.581 -4.868 1.00 0.00 C ATOM 117 O GLU A 9 -12.577 -11.295 -5.869 1.00 0.00 O ATOM 118 CB GLU A 9 -14.927 -10.286 -4.062 1.00 0.00 C ATOM 119 CG GLU A 9 -15.969 -10.462 -2.947 1.00 0.00 C ATOM 120 CD GLU A 9 -17.296 -9.775 -3.293 1.00 0.00 C ATOM 121 OE1 GLU A 9 -17.888 -10.069 -4.361 1.00 0.00 O ATOM 122 OE2 GLU A 9 -17.726 -8.872 -2.532 1.00 0.00 O ATOM 0 H GLU A 9 -13.361 -9.420 -2.308 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.675 -11.991 -3.652 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -14.792 -9.222 -4.254 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -15.314 -10.729 -4.980 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -16.143 -11.524 -2.777 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.578 -10.050 -2.016 1.00 0.00 H new ATOM 129 N TYR A 10 -11.787 -9.525 -4.718 1.00 0.00 N ATOM 130 CA TYR A 10 -10.942 -9.073 -5.800 1.00 0.00 C ATOM 131 C TYR A 10 -9.748 -10.048 -5.897 1.00 0.00 C ATOM 132 O TYR A 10 -9.353 -10.410 -7.001 1.00 0.00 O ATOM 133 CB TYR A 10 -10.555 -7.611 -5.547 1.00 0.00 C ATOM 134 CG TYR A 10 -9.210 -7.352 -4.931 1.00 0.00 C ATOM 135 CD1 TYR A 10 -9.007 -7.463 -3.551 1.00 0.00 C ATOM 136 CD2 TYR A 10 -8.148 -7.019 -5.788 1.00 0.00 C ATOM 137 CE1 TYR A 10 -7.728 -7.246 -3.019 1.00 0.00 C ATOM 138 CE2 TYR A 10 -6.871 -6.776 -5.265 1.00 0.00 C ATOM 139 CZ TYR A 10 -6.657 -6.906 -3.877 1.00 0.00 C ATOM 140 OH TYR A 10 -5.403 -6.759 -3.383 1.00 0.00 O ATOM 0 H TYR A 10 -11.711 -8.978 -3.860 1.00 0.00 H new ATOM 0 HA TYR A 10 -11.443 -9.084 -6.768 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -10.598 -7.081 -6.499 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -11.313 -7.168 -4.901 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -9.831 -7.714 -2.899 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -8.316 -6.950 -6.853 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.561 -7.338 -1.956 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -6.059 -6.492 -5.918 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.790 -6.526 -4.111 1.00 0.00 H new ATOM 150 N LEU A 11 -9.248 -10.565 -4.755 1.00 0.00 N ATOM 151 CA LEU A 11 -8.164 -11.558 -4.684 1.00 0.00 C ATOM 152 C LEU A 11 -8.495 -12.824 -5.465 1.00 0.00 C ATOM 153 O LEU A 11 -7.603 -13.383 -6.096 1.00 0.00 O ATOM 154 CB LEU A 11 -7.843 -11.981 -3.232 1.00 0.00 C ATOM 155 CG LEU A 11 -6.787 -11.189 -2.424 1.00 0.00 C ATOM 156 CD1 LEU A 11 -5.881 -10.257 -3.232 1.00 0.00 C ATOM 157 CD2 LEU A 11 -7.479 -10.366 -1.356 1.00 0.00 C ATOM 0 H LEU A 11 -9.598 -10.294 -3.836 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.299 -11.060 -5.123 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.776 -11.950 -2.669 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.521 -13.022 -3.259 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.132 -11.956 -2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.183 -9.756 -2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.324 -10.838 -3.967 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.490 -9.512 -3.744 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.735 -9.808 -0.787 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.173 -9.669 -1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -8.027 -11.027 -0.685 1.00 0.00 H new ATOM 169 N LYS A 12 -9.755 -13.274 -5.460 1.00 0.00 N ATOM 170 CA LYS A 12 -10.175 -14.442 -6.239 1.00 0.00 C ATOM 171 C LYS A 12 -9.803 -14.273 -7.710 1.00 0.00 C ATOM 172 O LYS A 12 -9.346 -15.217 -8.352 1.00 0.00 O ATOM 173 CB LYS A 12 -11.690 -14.643 -6.107 1.00 0.00 C ATOM 174 CG LYS A 12 -12.071 -15.317 -4.788 1.00 0.00 C ATOM 175 CD LYS A 12 -13.594 -15.423 -4.634 1.00 0.00 C ATOM 176 CE LYS A 12 -14.229 -16.261 -5.751 1.00 0.00 C ATOM 177 NZ LYS A 12 -15.704 -16.240 -5.675 1.00 0.00 N ATOM 0 H LYS A 12 -10.506 -12.843 -4.921 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.659 -15.319 -5.848 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.190 -13.677 -6.177 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.048 -15.249 -6.939 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.629 -16.313 -4.745 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.658 -14.749 -3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.830 -15.869 -3.668 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.029 -14.424 -4.639 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.909 -15.879 -6.720 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.875 -17.290 -5.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.100 -16.817 -6.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -16.010 -16.628 -4.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -16.042 -15.261 -5.767 1.00 0.00 H new ATOM 191 N GLY A 13 -9.967 -13.056 -8.217 1.00 0.00 N ATOM 192 CA GLY A 13 -9.673 -12.672 -9.586 1.00 0.00 C ATOM 193 C GLY A 13 -8.180 -12.552 -9.891 1.00 0.00 C ATOM 194 O GLY A 13 -7.814 -12.355 -11.051 1.00 0.00 O ATOM 0 H GLY A 13 -10.324 -12.280 -7.659 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.113 -13.406 -10.261 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.154 -11.717 -9.796 1.00 0.00 H new ATOM 198 N ILE A 14 -7.301 -12.650 -8.893 1.00 0.00 N ATOM 199 CA ILE A 14 -5.864 -12.636 -9.096 1.00 0.00 C ATOM 200 C ILE A 14 -5.448 -14.069 -9.383 1.00 0.00 C ATOM 201 O ILE A 14 -5.347 -14.900 -8.482 1.00 0.00 O ATOM 202 CB ILE A 14 -5.124 -12.012 -7.899 1.00 0.00 C ATOM 203 CG1 ILE A 14 -5.678 -10.596 -7.647 1.00 0.00 C ATOM 204 CG2 ILE A 14 -3.608 -11.997 -8.191 1.00 0.00 C ATOM 205 CD1 ILE A 14 -4.885 -9.795 -6.619 1.00 0.00 C ATOM 0 H ILE A 14 -7.576 -12.742 -7.915 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.591 -12.002 -9.940 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.283 -12.600 -6.995 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.690 -10.048 -8.589 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.712 -10.676 -7.312 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.079 -11.556 -7.346 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -3.257 -13.017 -8.346 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.416 -11.407 -9.087 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.337 -8.811 -6.497 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.894 -10.319 -5.663 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.856 -9.682 -6.961 1.00 0.00 H new ATOM 217 N ASP A 15 -5.200 -14.351 -10.657 1.00 0.00 N ATOM 218 CA ASP A 15 -4.821 -15.673 -11.156 1.00 0.00 C ATOM 219 C ASP A 15 -3.422 -16.114 -10.713 1.00 0.00 C ATOM 220 O ASP A 15 -3.008 -17.249 -10.950 1.00 0.00 O ATOM 221 CB ASP A 15 -4.869 -15.624 -12.676 1.00 0.00 C ATOM 222 CG ASP A 15 -4.972 -17.029 -13.250 1.00 0.00 C ATOM 223 OD1 ASP A 15 -6.022 -17.670 -13.038 1.00 0.00 O ATOM 224 OD2 ASP A 15 -4.040 -17.450 -13.969 1.00 0.00 O ATOM 0 H ASP A 15 -5.258 -13.648 -11.394 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.519 -16.400 -10.742 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.723 -15.029 -13.000 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.974 -15.133 -13.059 1.00 0.00 H new ATOM 229 N HIS A 16 -2.677 -15.200 -10.098 1.00 0.00 N ATOM 230 CA HIS A 16 -1.305 -15.362 -9.638 1.00 0.00 C ATOM 231 C HIS A 16 -1.251 -15.586 -8.105 1.00 0.00 C ATOM 232 O HIS A 16 -1.032 -14.630 -7.348 1.00 0.00 O ATOM 233 CB HIS A 16 -0.478 -14.159 -10.138 1.00 0.00 C ATOM 234 CG HIS A 16 0.672 -14.496 -11.058 1.00 0.00 C ATOM 235 ND1 HIS A 16 1.365 -15.685 -11.156 1.00 0.00 N ATOM 236 CD2 HIS A 16 1.264 -13.609 -11.913 1.00 0.00 C ATOM 237 CE1 HIS A 16 2.368 -15.507 -12.030 1.00 0.00 C ATOM 238 NE2 HIS A 16 2.354 -14.252 -12.514 1.00 0.00 N ATOM 0 H HIS A 16 -3.040 -14.269 -9.896 1.00 0.00 H new ATOM 0 HA HIS A 16 -0.857 -16.262 -10.059 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -1.146 -13.472 -10.657 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -0.084 -13.627 -9.272 1.00 0.00 H new ATOM 0 HD1 HIS A 16 1.153 -16.547 -10.653 1.00 0.00 H new ATOM 0 HD2 HIS A 16 0.947 -12.592 -12.093 1.00 0.00 H new ATOM 0 HE1 HIS A 16 3.086 -16.265 -12.306 1.00 0.00 H new ATOM 246 N PRO A 17 -1.410 -16.826 -7.605 1.00 0.00 N ATOM 247 CA PRO A 17 -1.402 -17.132 -6.173 1.00 0.00 C ATOM 248 C PRO A 17 -0.062 -16.890 -5.489 1.00 0.00 C ATOM 249 O PRO A 17 -0.031 -16.703 -4.273 1.00 0.00 O ATOM 250 CB PRO A 17 -1.767 -18.608 -6.065 1.00 0.00 C ATOM 251 CG PRO A 17 -1.373 -19.198 -7.408 1.00 0.00 C ATOM 252 CD PRO A 17 -1.674 -18.045 -8.353 1.00 0.00 C ATOM 0 HA PRO A 17 -2.103 -16.468 -5.667 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.231 -19.090 -5.247 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.831 -18.740 -5.871 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.322 -19.486 -7.436 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -1.954 -20.088 -7.650 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.048 -18.098 -9.244 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -2.710 -18.078 -8.690 1.00 0.00 H new ATOM 260 N ASP A 18 1.035 -16.845 -6.251 1.00 0.00 N ATOM 261 CA ASP A 18 2.360 -16.586 -5.687 1.00 0.00 C ATOM 262 C ASP A 18 2.423 -15.173 -5.084 1.00 0.00 C ATOM 263 O ASP A 18 3.335 -14.862 -4.323 1.00 0.00 O ATOM 264 CB ASP A 18 3.421 -16.690 -6.788 1.00 0.00 C ATOM 265 CG ASP A 18 3.817 -18.084 -7.244 1.00 0.00 C ATOM 266 OD1 ASP A 18 3.164 -18.605 -8.174 1.00 0.00 O ATOM 267 OD2 ASP A 18 4.891 -18.593 -6.848 1.00 0.00 O ATOM 0 H ASP A 18 1.030 -16.985 -7.261 1.00 0.00 H new ATOM 0 HA ASP A 18 2.549 -17.324 -4.908 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.060 -16.140 -7.657 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.320 -16.181 -6.440 1.00 0.00 H new ATOM 272 N HIS A 19 1.476 -14.295 -5.444 1.00 0.00 N ATOM 273 CA HIS A 19 1.516 -12.869 -5.128 1.00 0.00 C ATOM 274 C HIS A 19 0.216 -12.411 -4.465 1.00 0.00 C ATOM 275 O HIS A 19 0.250 -11.549 -3.583 1.00 0.00 O ATOM 276 CB HIS A 19 1.796 -12.065 -6.406 1.00 0.00 C ATOM 277 CG HIS A 19 2.808 -12.703 -7.330 1.00 0.00 C ATOM 278 ND1 HIS A 19 2.510 -13.165 -8.585 1.00 0.00 N ATOM 279 CD2 HIS A 19 4.027 -13.225 -6.984 1.00 0.00 C ATOM 280 CE1 HIS A 19 3.471 -14.029 -8.935 1.00 0.00 C ATOM 281 NE2 HIS A 19 4.469 -14.039 -8.034 1.00 0.00 N ATOM 0 H HIS A 19 0.647 -14.566 -5.973 1.00 0.00 H new ATOM 0 HA HIS A 19 2.321 -12.692 -4.415 1.00 0.00 H new ATOM 0 HB2 HIS A 19 0.860 -11.929 -6.949 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.150 -11.073 -6.127 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.556 -13.040 -6.061 1.00 0.00 H new ATOM 0 HE1 HIS A 19 3.448 -14.639 -9.826 1.00 0.00 H new ATOM 0 HE2 HIS A 19 5.358 -14.534 -8.101 1.00 0.00 H new ATOM 289 N ARG A 20 -0.930 -12.995 -4.846 1.00 0.00 N ATOM 290 CA ARG A 20 -2.234 -12.734 -4.231 1.00 0.00 C ATOM 291 C ARG A 20 -2.117 -12.821 -2.710 1.00 0.00 C ATOM 292 O ARG A 20 -2.434 -11.860 -2.013 1.00 0.00 O ATOM 293 CB ARG A 20 -3.268 -13.744 -4.768 1.00 0.00 C ATOM 294 CG ARG A 20 -4.651 -13.575 -4.109 1.00 0.00 C ATOM 295 CD ARG A 20 -5.132 -14.837 -3.400 1.00 0.00 C ATOM 296 NE ARG A 20 -5.614 -15.864 -4.335 1.00 0.00 N ATOM 297 CZ ARG A 20 -5.846 -17.138 -3.994 1.00 0.00 C ATOM 298 NH1 ARG A 20 -5.409 -17.635 -2.839 1.00 0.00 N ATOM 299 NH2 ARG A 20 -6.508 -17.916 -4.837 1.00 0.00 N ATOM 0 H ARG A 20 -0.974 -13.675 -5.605 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.568 -11.729 -4.488 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.365 -13.622 -5.847 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.907 -14.757 -4.593 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.608 -12.756 -3.391 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.378 -13.293 -4.871 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.317 -15.248 -2.805 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.933 -14.577 -2.708 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.782 -15.589 -5.303 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.886 -17.042 -2.194 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.597 -18.608 -2.599 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.832 -17.542 -5.729 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.694 -18.889 -4.594 1.00 0.00 H new ATOM 313 N ASP A 21 -1.607 -13.952 -2.230 1.00 0.00 N ATOM 314 CA ASP A 21 -1.485 -14.283 -0.815 1.00 0.00 C ATOM 315 C ASP A 21 -0.553 -13.337 -0.053 1.00 0.00 C ATOM 316 O ASP A 21 -0.537 -13.375 1.171 1.00 0.00 O ATOM 317 CB ASP A 21 -0.972 -15.726 -0.688 1.00 0.00 C ATOM 318 CG ASP A 21 -2.079 -16.764 -0.559 1.00 0.00 C ATOM 319 OD1 ASP A 21 -3.074 -16.752 -1.324 1.00 0.00 O ATOM 320 OD2 ASP A 21 -1.907 -17.700 0.249 1.00 0.00 O ATOM 0 H ASP A 21 -1.254 -14.690 -2.839 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.473 -14.175 -0.367 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.364 -15.964 -1.561 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.320 -15.794 0.183 1.00 0.00 H new ATOM 325 N ARG A 22 0.249 -12.505 -0.726 1.00 0.00 N ATOM 326 CA ARG A 22 1.077 -11.480 -0.078 1.00 0.00 C ATOM 327 C ARG A 22 0.251 -10.210 0.054 1.00 0.00 C ATOM 328 O ARG A 22 0.130 -9.618 1.119 1.00 0.00 O ATOM 329 CB ARG A 22 2.359 -11.196 -0.888 1.00 0.00 C ATOM 330 CG ARG A 22 3.064 -12.469 -1.382 1.00 0.00 C ATOM 331 CD ARG A 22 4.317 -12.218 -2.211 1.00 0.00 C ATOM 332 NE ARG A 22 5.247 -11.339 -1.512 1.00 0.00 N ATOM 333 CZ ARG A 22 6.160 -11.694 -0.601 1.00 0.00 C ATOM 334 NH1 ARG A 22 6.223 -12.946 -0.157 1.00 0.00 N ATOM 335 NH2 ARG A 22 7.002 -10.773 -0.151 1.00 0.00 N ATOM 0 H ARG A 22 0.343 -12.523 -1.741 1.00 0.00 H new ATOM 0 HA ARG A 22 1.385 -11.839 0.904 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.107 -10.573 -1.746 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.051 -10.623 -0.270 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.331 -13.079 -0.519 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.360 -13.050 -1.978 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.806 -13.167 -2.431 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.040 -11.772 -3.167 1.00 0.00 H new ATOM 0 HE ARG A 22 5.196 -10.347 -1.742 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.571 -13.646 -0.511 1.00 0.00 H new ATOM 0 HH12 ARG A 22 6.923 -13.206 0.538 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.945 -9.816 -0.500 1.00 0.00 H new ATOM 0 HH22 ARG A 22 7.706 -11.022 0.544 1.00 0.00 H new ATOM 349 N THR A 23 -0.320 -9.795 -1.072 1.00 0.00 N ATOM 350 CA THR A 23 -1.135 -8.602 -1.243 1.00 0.00 C ATOM 351 C THR A 23 -2.197 -8.445 -0.139 1.00 0.00 C ATOM 352 O THR A 23 -2.435 -7.335 0.347 1.00 0.00 O ATOM 353 CB THR A 23 -1.809 -8.713 -2.627 1.00 0.00 C ATOM 354 OG1 THR A 23 -0.925 -9.109 -3.656 1.00 0.00 O ATOM 355 CG2 THR A 23 -2.388 -7.384 -3.082 1.00 0.00 C ATOM 0 H THR A 23 -0.218 -10.317 -1.942 1.00 0.00 H new ATOM 0 HA THR A 23 -0.501 -7.718 -1.173 1.00 0.00 H new ATOM 0 HB THR A 23 -2.581 -9.468 -2.479 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.141 -8.521 -3.658 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.853 -7.506 -4.060 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.136 -7.048 -2.364 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.591 -6.644 -3.149 1.00 0.00 H new ATOM 363 N GLU A 24 -2.870 -9.536 0.218 1.00 0.00 N ATOM 364 CA GLU A 24 -3.945 -9.580 1.201 1.00 0.00 C ATOM 365 C GLU A 24 -3.437 -9.402 2.639 1.00 0.00 C ATOM 366 O GLU A 24 -4.136 -8.826 3.478 1.00 0.00 O ATOM 367 CB GLU A 24 -4.754 -10.859 0.967 1.00 0.00 C ATOM 368 CG GLU A 24 -4.034 -12.176 1.286 1.00 0.00 C ATOM 369 CD GLU A 24 -4.112 -12.591 2.758 1.00 0.00 C ATOM 370 OE1 GLU A 24 -5.123 -12.263 3.417 1.00 0.00 O ATOM 371 OE2 GLU A 24 -3.187 -13.265 3.265 1.00 0.00 O ATOM 0 H GLU A 24 -2.672 -10.451 -0.188 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.612 -8.729 1.066 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.660 -10.808 1.570 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.067 -10.882 -0.077 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.462 -12.969 0.673 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.986 -12.083 1.001 1.00 0.00 H new ATOM 378 N GLU A 25 -2.191 -9.797 2.916 1.00 0.00 N ATOM 379 CA GLU A 25 -1.554 -9.533 4.203 1.00 0.00 C ATOM 380 C GLU A 25 -1.368 -8.033 4.390 1.00 0.00 C ATOM 381 O GLU A 25 -1.716 -7.499 5.435 1.00 0.00 O ATOM 382 CB GLU A 25 -0.192 -10.208 4.349 1.00 0.00 C ATOM 383 CG GLU A 25 -0.258 -11.733 4.297 1.00 0.00 C ATOM 384 CD GLU A 25 1.078 -12.376 4.673 1.00 0.00 C ATOM 385 OE1 GLU A 25 1.757 -11.867 5.597 1.00 0.00 O ATOM 386 OE2 GLU A 25 1.467 -13.395 4.056 1.00 0.00 O ATOM 0 H GLU A 25 -1.601 -10.305 2.257 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.216 -9.948 4.963 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.467 -9.854 3.556 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.256 -9.904 5.295 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.034 -12.086 4.976 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.544 -12.050 3.294 1.00 0.00 H new ATOM 393 N ILE A 26 -0.853 -7.337 3.373 1.00 0.00 N ATOM 394 CA ILE A 26 -0.712 -5.878 3.403 1.00 0.00 C ATOM 395 C ILE A 26 -2.064 -5.233 3.706 1.00 0.00 C ATOM 396 O ILE A 26 -2.139 -4.296 4.500 1.00 0.00 O ATOM 397 CB ILE A 26 -0.133 -5.378 2.065 1.00 0.00 C ATOM 398 CG1 ILE A 26 1.367 -5.721 1.933 1.00 0.00 C ATOM 399 CG2 ILE A 26 -0.368 -3.873 1.832 1.00 0.00 C ATOM 400 CD1 ILE A 26 1.675 -6.411 0.606 1.00 0.00 C ATOM 0 H ILE A 26 -0.523 -7.766 2.509 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.018 -5.593 4.194 1.00 0.00 H new ATOM 0 HB ILE A 26 -0.680 -5.909 1.286 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.957 -4.808 2.014 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.666 -6.368 2.758 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.062 -3.582 0.874 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.439 -3.669 1.826 1.00 0.00 H new ATOM 0 HG23 ILE A 26 0.106 -3.303 2.631 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.740 -6.636 0.551 1.00 0.00 H new ATOM 0 HD12 ILE A 26 1.105 -7.337 0.537 1.00 0.00 H new ATOM 0 HD13 ILE A 26 1.400 -5.753 -0.219 1.00 0.00 H new ATOM 412 N LEU A 27 -3.123 -5.693 3.036 1.00 0.00 N ATOM 413 CA LEU A 27 -4.457 -5.131 3.204 1.00 0.00 C ATOM 414 C LEU A 27 -4.918 -5.243 4.654 1.00 0.00 C ATOM 415 O LEU A 27 -5.297 -4.236 5.255 1.00 0.00 O ATOM 416 CB LEU A 27 -5.426 -5.811 2.225 1.00 0.00 C ATOM 417 CG LEU A 27 -5.301 -5.212 0.824 1.00 0.00 C ATOM 418 CD1 LEU A 27 -5.880 -6.114 -0.256 1.00 0.00 C ATOM 419 CD2 LEU A 27 -6.028 -3.862 0.766 1.00 0.00 C ATOM 0 H LEU A 27 -3.077 -6.461 2.366 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.436 -4.067 2.970 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.219 -6.880 2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.449 -5.697 2.583 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.235 -5.093 0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.763 -5.637 -1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -5.353 -7.068 -0.254 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.939 -6.283 -0.060 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.935 -3.441 -0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.082 -4.006 1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.584 -3.178 1.490 1.00 0.00 H new ATOM 431 N SER A 28 -4.845 -6.452 5.208 1.00 0.00 N ATOM 432 CA SER A 28 -5.226 -6.732 6.584 1.00 0.00 C ATOM 433 C SER A 28 -4.380 -5.975 7.601 1.00 0.00 C ATOM 434 O SER A 28 -4.906 -5.445 8.586 1.00 0.00 O ATOM 435 CB SER A 28 -5.228 -8.241 6.812 1.00 0.00 C ATOM 436 OG SER A 28 -4.183 -8.963 6.184 1.00 0.00 O ATOM 0 H SER A 28 -4.514 -7.274 4.703 1.00 0.00 H new ATOM 0 HA SER A 28 -6.238 -6.360 6.744 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.178 -8.427 7.885 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.180 -8.640 6.463 1.00 0.00 H new ATOM 0 HG SER A 28 -4.330 -8.975 5.215 1.00 0.00 H new ATOM 442 N TRP A 29 -3.083 -5.916 7.323 1.00 0.00 N ATOM 443 CA TRP A 29 -2.081 -5.175 8.076 1.00 0.00 C ATOM 444 C TRP A 29 -2.475 -3.700 8.158 1.00 0.00 C ATOM 445 O TRP A 29 -2.692 -3.225 9.266 1.00 0.00 O ATOM 446 CB TRP A 29 -0.682 -5.403 7.481 1.00 0.00 C ATOM 447 CG TRP A 29 0.442 -4.617 8.087 1.00 0.00 C ATOM 448 CD1 TRP A 29 1.173 -4.971 9.162 1.00 0.00 C ATOM 449 CD2 TRP A 29 1.004 -3.350 7.649 1.00 0.00 C ATOM 450 NE1 TRP A 29 2.110 -4.001 9.448 1.00 0.00 N ATOM 451 CE2 TRP A 29 2.073 -2.984 8.519 1.00 0.00 C ATOM 452 CE3 TRP A 29 0.743 -2.502 6.559 1.00 0.00 C ATOM 453 CZ2 TRP A 29 2.844 -1.829 8.308 1.00 0.00 C ATOM 454 CZ3 TRP A 29 1.501 -1.341 6.341 1.00 0.00 C ATOM 455 CH2 TRP A 29 2.563 -1.011 7.201 1.00 0.00 C ATOM 0 H TRP A 29 -2.682 -6.409 6.525 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.038 -5.545 9.100 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -0.443 -6.463 7.569 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.723 -5.173 6.416 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.043 -5.886 9.721 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.748 -4.032 10.244 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -0.056 -2.749 5.876 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.643 -1.573 8.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.267 -0.697 5.507 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.161 -0.132 7.011 1.00 0.00 H new ATOM 466 N VAL A 30 -2.643 -2.982 7.037 1.00 0.00 N ATOM 467 CA VAL A 30 -2.949 -1.544 7.045 1.00 0.00 C ATOM 468 C VAL A 30 -4.128 -1.235 7.969 1.00 0.00 C ATOM 469 O VAL A 30 -4.037 -0.313 8.778 1.00 0.00 O ATOM 470 CB VAL A 30 -3.212 -1.023 5.613 1.00 0.00 C ATOM 471 CG1 VAL A 30 -3.889 0.357 5.595 1.00 0.00 C ATOM 472 CG2 VAL A 30 -1.918 -0.907 4.793 1.00 0.00 C ATOM 0 H VAL A 30 -2.571 -3.381 6.101 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.076 -1.021 7.435 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.878 -1.764 5.170 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.048 0.671 4.563 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.849 0.298 6.109 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.251 1.082 6.100 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.152 -0.537 3.795 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.236 -0.214 5.286 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.447 -1.887 4.716 1.00 0.00 H new ATOM 482 N ALA A 31 -5.225 -1.988 7.858 1.00 0.00 N ATOM 483 CA ALA A 31 -6.420 -1.737 8.650 1.00 0.00 C ATOM 484 C ALA A 31 -6.206 -1.994 10.149 1.00 0.00 C ATOM 485 O ALA A 31 -7.024 -1.549 10.956 1.00 0.00 O ATOM 486 CB ALA A 31 -7.552 -2.609 8.116 1.00 0.00 C ATOM 0 H ALA A 31 -5.305 -2.781 7.221 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.673 -0.681 8.555 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.455 -2.431 8.700 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.741 -2.361 7.072 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.270 -3.659 8.194 1.00 0.00 H new ATOM 492 N ALA A 32 -5.143 -2.706 10.539 1.00 0.00 N ATOM 493 CA ALA A 32 -4.721 -2.839 11.923 1.00 0.00 C ATOM 494 C ALA A 32 -3.766 -1.711 12.306 1.00 0.00 C ATOM 495 O ALA A 32 -4.024 -1.026 13.290 1.00 0.00 O ATOM 496 CB ALA A 32 -4.078 -4.211 12.160 1.00 0.00 C ATOM 0 H ALA A 32 -4.547 -3.212 9.884 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.601 -2.764 12.561 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.768 -4.293 13.202 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.800 -4.995 11.934 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.208 -4.322 11.513 1.00 0.00 H new ATOM 502 N THR A 33 -2.673 -1.522 11.563 1.00 0.00 N ATOM 503 CA THR A 33 -1.604 -0.597 11.918 1.00 0.00 C ATOM 504 C THR A 33 -2.082 0.861 11.885 1.00 0.00 C ATOM 505 O THR A 33 -1.623 1.668 12.699 1.00 0.00 O ATOM 506 CB THR A 33 -0.412 -0.782 10.958 1.00 0.00 C ATOM 507 OG1 THR A 33 -0.329 -2.087 10.428 1.00 0.00 O ATOM 508 CG2 THR A 33 0.946 -0.485 11.607 1.00 0.00 C ATOM 0 H THR A 33 -2.507 -2.016 10.686 1.00 0.00 H new ATOM 0 HA THR A 33 -1.292 -0.821 12.938 1.00 0.00 H new ATOM 0 HB THR A 33 -0.614 -0.060 10.167 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.279 -2.090 9.659 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.740 -0.635 10.875 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.965 0.548 11.956 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.100 -1.156 12.452 1.00 0.00 H new ATOM 516 N PHE A 34 -2.995 1.203 10.966 1.00 0.00 N ATOM 517 CA PHE A 34 -3.507 2.556 10.765 1.00 0.00 C ATOM 518 C PHE A 34 -5.047 2.497 10.758 1.00 0.00 C ATOM 519 O PHE A 34 -5.686 2.711 9.722 1.00 0.00 O ATOM 520 CB PHE A 34 -2.894 3.217 9.516 1.00 0.00 C ATOM 521 CG PHE A 34 -1.451 2.827 9.271 1.00 0.00 C ATOM 522 CD1 PHE A 34 -0.450 3.173 10.194 1.00 0.00 C ATOM 523 CD2 PHE A 34 -1.137 1.973 8.203 1.00 0.00 C ATOM 524 CE1 PHE A 34 0.814 2.579 10.105 1.00 0.00 C ATOM 525 CE2 PHE A 34 0.144 1.425 8.081 1.00 0.00 C ATOM 526 CZ PHE A 34 1.118 1.708 9.047 1.00 0.00 C ATOM 0 H PHE A 34 -3.406 0.523 10.326 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.203 3.205 11.586 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.488 2.946 8.643 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -2.956 4.300 9.621 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.655 3.895 10.970 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.892 1.736 7.468 1.00 0.00 H new ATOM 0 HE1 PHE A 34 1.561 2.792 10.856 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.382 0.785 7.244 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.098 1.259 8.978 1.00 0.00 H new ATOM 536 N PRO A 35 -5.675 2.225 11.908 1.00 0.00 N ATOM 537 CA PRO A 35 -7.065 1.780 11.996 1.00 0.00 C ATOM 538 C PRO A 35 -8.114 2.874 11.754 1.00 0.00 C ATOM 539 O PRO A 35 -9.301 2.562 11.674 1.00 0.00 O ATOM 540 CB PRO A 35 -7.192 1.193 13.405 1.00 0.00 C ATOM 541 CG PRO A 35 -6.216 2.062 14.187 1.00 0.00 C ATOM 542 CD PRO A 35 -5.058 2.217 13.221 1.00 0.00 C ATOM 0 HA PRO A 35 -7.273 1.063 11.202 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.209 1.269 13.791 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.918 0.139 13.436 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -6.654 3.024 14.452 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -5.906 1.586 15.117 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.508 3.140 13.406 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -4.347 1.397 13.320 1.00 0.00 H new ATOM 550 N ASN A 36 -7.733 4.146 11.614 1.00 0.00 N ATOM 551 CA ASN A 36 -8.660 5.183 11.144 1.00 0.00 C ATOM 552 C ASN A 36 -8.944 5.067 9.639 1.00 0.00 C ATOM 553 O ASN A 36 -9.890 5.686 9.143 1.00 0.00 O ATOM 554 CB ASN A 36 -8.145 6.594 11.484 1.00 0.00 C ATOM 555 CG ASN A 36 -8.970 7.275 12.564 1.00 0.00 C ATOM 556 OD1 ASN A 36 -10.195 7.260 12.520 1.00 0.00 O ATOM 557 ND2 ASN A 36 -8.320 7.862 13.556 1.00 0.00 N ATOM 0 H ASN A 36 -6.792 4.484 11.818 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.600 5.021 11.672 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.108 6.528 11.812 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -8.156 7.207 10.583 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.839 8.316 14.308 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.300 7.860 13.569 1.00 0.00 H new ATOM 564 N LEU A 37 -8.153 4.296 8.882 1.00 0.00 N ATOM 565 CA LEU A 37 -8.396 4.110 7.456 1.00 0.00 C ATOM 566 C LEU A 37 -9.569 3.158 7.221 1.00 0.00 C ATOM 567 O LEU A 37 -9.616 2.068 7.796 1.00 0.00 O ATOM 568 CB LEU A 37 -7.150 3.501 6.799 1.00 0.00 C ATOM 569 CG LEU A 37 -5.954 4.446 6.578 1.00 0.00 C ATOM 570 CD1 LEU A 37 -4.831 3.611 5.965 1.00 0.00 C ATOM 571 CD2 LEU A 37 -6.337 5.572 5.620 1.00 0.00 C ATOM 0 H LEU A 37 -7.340 3.793 9.239 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.627 5.084 7.024 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.815 2.666 7.414 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.441 3.089 5.833 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.643 4.896 7.521 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.961 4.244 5.791 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.563 2.805 6.648 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.167 3.188 5.018 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.482 6.232 5.474 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.637 5.148 4.662 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.166 6.141 6.040 1.00 0.00 H new ATOM 583 N GLU A 38 -10.464 3.515 6.303 1.00 0.00 N ATOM 584 CA GLU A 38 -11.603 2.721 5.842 1.00 0.00 C ATOM 585 C GLU A 38 -11.359 2.283 4.397 1.00 0.00 C ATOM 586 O GLU A 38 -10.702 3.008 3.651 1.00 0.00 O ATOM 587 CB GLU A 38 -12.861 3.594 5.935 1.00 0.00 C ATOM 588 CG GLU A 38 -13.345 3.669 7.388 1.00 0.00 C ATOM 589 CD GLU A 38 -14.147 2.429 7.829 1.00 0.00 C ATOM 590 OE1 GLU A 38 -14.808 1.760 7.000 1.00 0.00 O ATOM 591 OE2 GLU A 38 -14.114 2.066 9.027 1.00 0.00 O ATOM 0 H GLU A 38 -10.412 4.419 5.833 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.730 1.830 6.456 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.646 4.596 5.563 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -13.647 3.181 5.303 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -12.483 3.788 8.045 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -13.965 4.557 7.512 1.00 0.00 H new ATOM 598 N PRO A 39 -11.877 1.128 3.960 1.00 0.00 N ATOM 599 CA PRO A 39 -11.587 0.579 2.641 1.00 0.00 C ATOM 600 C PRO A 39 -12.338 1.336 1.539 1.00 0.00 C ATOM 601 O PRO A 39 -13.360 1.971 1.808 1.00 0.00 O ATOM 602 CB PRO A 39 -12.088 -0.864 2.737 1.00 0.00 C ATOM 603 CG PRO A 39 -13.301 -0.734 3.652 1.00 0.00 C ATOM 604 CD PRO A 39 -12.794 0.262 4.685 1.00 0.00 C ATOM 0 HA PRO A 39 -10.531 0.654 2.382 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.358 -1.265 1.760 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.333 -1.528 3.157 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.178 -0.364 3.121 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.579 -1.687 4.102 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -13.615 0.833 5.118 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -12.290 -0.246 5.507 1.00 0.00 H new ATOM 612 N GLN A 40 -11.886 1.238 0.286 1.00 0.00 N ATOM 613 CA GLN A 40 -12.635 1.651 -0.886 1.00 0.00 C ATOM 614 C GLN A 40 -12.074 0.913 -2.108 1.00 0.00 C ATOM 615 O GLN A 40 -10.936 1.159 -2.510 1.00 0.00 O ATOM 616 CB GLN A 40 -12.553 3.184 -1.025 1.00 0.00 C ATOM 617 CG GLN A 40 -13.450 3.693 -2.158 1.00 0.00 C ATOM 618 CD GLN A 40 -13.763 5.183 -2.022 1.00 0.00 C ATOM 619 OE1 GLN A 40 -13.421 6.007 -2.864 1.00 0.00 O ATOM 620 NE2 GLN A 40 -14.454 5.569 -0.968 1.00 0.00 N ATOM 0 H GLN A 40 -10.966 0.859 0.062 1.00 0.00 H new ATOM 0 HA GLN A 40 -13.690 1.393 -0.797 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.850 3.652 -0.086 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.521 3.479 -1.216 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.961 3.512 -3.115 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.381 3.127 -2.164 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.739 4.885 -0.267 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -14.703 6.551 -0.854 1.00 0.00 H new ATOM 629 N MET A 41 -12.841 -0.006 -2.706 1.00 0.00 N ATOM 630 CA MET A 41 -12.531 -0.524 -4.036 1.00 0.00 C ATOM 631 C MET A 41 -12.825 0.572 -5.068 1.00 0.00 C ATOM 632 O MET A 41 -13.965 0.713 -5.519 1.00 0.00 O ATOM 633 CB MET A 41 -13.329 -1.806 -4.315 1.00 0.00 C ATOM 634 CG MET A 41 -13.042 -2.358 -5.720 1.00 0.00 C ATOM 635 SD MET A 41 -12.707 -4.132 -5.805 1.00 0.00 S ATOM 636 CE MET A 41 -10.907 -4.020 -5.851 1.00 0.00 C ATOM 0 H MET A 41 -13.681 -0.404 -2.286 1.00 0.00 H new ATOM 0 HA MET A 41 -11.476 -0.792 -4.100 1.00 0.00 H new ATOM 0 HB2 MET A 41 -13.079 -2.560 -3.569 1.00 0.00 H new ATOM 0 HB3 MET A 41 -14.395 -1.601 -4.215 1.00 0.00 H new ATOM 0 HG2 MET A 41 -13.896 -2.136 -6.360 1.00 0.00 H new ATOM 0 HG3 MET A 41 -12.186 -1.824 -6.133 1.00 0.00 H new ATOM 0 HE1 MET A 41 -10.558 -4.185 -6.870 1.00 0.00 H new ATOM 0 HE2 MET A 41 -10.595 -3.030 -5.517 1.00 0.00 H new ATOM 0 HE3 MET A 41 -10.478 -4.777 -5.194 1.00 0.00 H new ATOM 646 N LYS A 42 -11.805 1.334 -5.456 1.00 0.00 N ATOM 647 CA LYS A 42 -11.875 2.406 -6.457 1.00 0.00 C ATOM 648 C LYS A 42 -10.944 2.013 -7.586 1.00 0.00 C ATOM 649 O LYS A 42 -9.920 1.398 -7.319 1.00 0.00 O ATOM 650 CB LYS A 42 -11.429 3.742 -5.821 1.00 0.00 C ATOM 651 CG LYS A 42 -12.337 4.922 -6.200 1.00 0.00 C ATOM 652 CD LYS A 42 -11.836 6.254 -5.618 1.00 0.00 C ATOM 653 CE LYS A 42 -10.635 6.817 -6.389 1.00 0.00 C ATOM 654 NZ LYS A 42 -9.968 7.922 -5.666 1.00 0.00 N ATOM 0 H LYS A 42 -10.868 1.220 -5.069 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.891 2.540 -6.829 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.416 3.635 -4.736 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.408 3.963 -6.132 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.393 5.001 -7.286 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.348 4.729 -5.842 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -12.647 6.982 -5.634 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -11.558 6.109 -4.574 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.916 6.018 -6.569 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.967 7.173 -7.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -9.967 8.775 -6.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.479 8.117 -4.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.988 7.652 -5.447 1.00 0.00 H new ATOM 668 N TRP A 43 -11.244 2.369 -8.829 1.00 0.00 N ATOM 669 CA TRP A 43 -10.438 2.007 -9.990 1.00 0.00 C ATOM 670 C TRP A 43 -10.162 0.501 -10.102 1.00 0.00 C ATOM 671 O TRP A 43 -9.182 0.108 -10.730 1.00 0.00 O ATOM 672 CB TRP A 43 -9.161 2.868 -10.027 1.00 0.00 C ATOM 673 CG TRP A 43 -9.296 4.112 -10.837 1.00 0.00 C ATOM 674 CD1 TRP A 43 -10.096 5.159 -10.545 1.00 0.00 C ATOM 675 CD2 TRP A 43 -8.671 4.421 -12.120 1.00 0.00 C ATOM 676 NE1 TRP A 43 -10.003 6.090 -11.554 1.00 0.00 N ATOM 677 CE2 TRP A 43 -9.103 5.715 -12.526 1.00 0.00 C ATOM 678 CE3 TRP A 43 -7.798 3.738 -12.992 1.00 0.00 C ATOM 679 CZ2 TRP A 43 -8.645 6.332 -13.701 1.00 0.00 C ATOM 680 CZ3 TRP A 43 -7.354 4.331 -14.189 1.00 0.00 C ATOM 681 CH2 TRP A 43 -7.756 5.633 -14.533 1.00 0.00 C ATOM 0 H TRP A 43 -12.066 2.926 -9.063 1.00 0.00 H new ATOM 0 HA TRP A 43 -11.021 2.229 -10.883 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -8.887 3.138 -9.007 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.343 2.271 -10.430 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -10.710 5.251 -9.662 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -10.539 6.958 -11.579 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -7.464 2.743 -12.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -8.971 7.328 -13.961 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -6.699 3.781 -14.848 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -7.382 6.095 -15.435 1.00 0.00 H new ATOM 692 N ASN A 44 -10.992 -0.363 -9.503 1.00 0.00 N ATOM 693 CA ASN A 44 -10.785 -1.818 -9.438 1.00 0.00 C ATOM 694 C ASN A 44 -9.508 -2.191 -8.677 1.00 0.00 C ATOM 695 O ASN A 44 -9.014 -3.316 -8.785 1.00 0.00 O ATOM 696 CB ASN A 44 -10.733 -2.422 -10.846 1.00 0.00 C ATOM 697 CG ASN A 44 -11.036 -3.908 -10.906 1.00 0.00 C ATOM 698 OD1 ASN A 44 -11.711 -4.478 -10.052 1.00 0.00 O ATOM 699 ND2 ASN A 44 -10.582 -4.549 -11.967 1.00 0.00 N ATOM 0 H ASN A 44 -11.849 -0.063 -9.038 1.00 0.00 H new ATOM 0 HA ASN A 44 -11.635 -2.229 -8.893 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -11.444 -1.893 -11.481 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.742 -2.249 -11.265 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.790 -5.540 -12.092 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -10.024 -4.053 -12.662 1.00 0.00 H new ATOM 706 N THR A 45 -8.946 -1.255 -7.918 1.00 0.00 N ATOM 707 CA THR A 45 -7.773 -1.474 -7.103 1.00 0.00 C ATOM 708 C THR A 45 -8.151 -1.161 -5.648 1.00 0.00 C ATOM 709 O THR A 45 -9.082 -0.392 -5.377 1.00 0.00 O ATOM 710 CB THR A 45 -6.557 -0.712 -7.663 1.00 0.00 C ATOM 711 OG1 THR A 45 -6.681 0.691 -7.691 1.00 0.00 O ATOM 712 CG2 THR A 45 -6.284 -1.143 -9.111 1.00 0.00 C ATOM 0 H THR A 45 -9.308 -0.303 -7.857 1.00 0.00 H new ATOM 0 HA THR A 45 -7.445 -2.513 -7.127 1.00 0.00 H new ATOM 0 HB THR A 45 -5.752 -0.966 -6.973 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.623 0.938 -7.586 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.422 -0.598 -9.497 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.079 -2.213 -9.140 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.157 -0.924 -9.726 1.00 0.00 H new ATOM 720 N PRO A 46 -7.508 -1.824 -4.689 1.00 0.00 N ATOM 721 CA PRO A 46 -7.750 -1.599 -3.276 1.00 0.00 C ATOM 722 C PRO A 46 -7.081 -0.296 -2.815 1.00 0.00 C ATOM 723 O PRO A 46 -5.851 -0.211 -2.758 1.00 0.00 O ATOM 724 CB PRO A 46 -7.153 -2.826 -2.593 1.00 0.00 C ATOM 725 CG PRO A 46 -6.032 -3.234 -3.543 1.00 0.00 C ATOM 726 CD PRO A 46 -6.618 -2.952 -4.902 1.00 0.00 C ATOM 0 HA PRO A 46 -8.807 -1.481 -3.036 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.774 -2.590 -1.599 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.890 -3.620 -2.473 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.124 -2.657 -3.367 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.768 -4.285 -3.428 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -5.840 -2.712 -5.627 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.158 -3.816 -5.288 1.00 0.00 H new ATOM 734 N MET A 47 -7.863 0.714 -2.440 1.00 0.00 N ATOM 735 CA MET A 47 -7.358 1.885 -1.726 1.00 0.00 C ATOM 736 C MET A 47 -8.051 1.981 -0.369 1.00 0.00 C ATOM 737 O MET A 47 -8.999 1.238 -0.100 1.00 0.00 O ATOM 738 CB MET A 47 -7.488 3.162 -2.573 1.00 0.00 C ATOM 739 CG MET A 47 -8.939 3.541 -2.893 1.00 0.00 C ATOM 740 SD MET A 47 -9.205 5.305 -3.213 1.00 0.00 S ATOM 741 CE MET A 47 -9.200 5.914 -1.498 1.00 0.00 C ATOM 0 H MET A 47 -8.866 0.744 -2.623 1.00 0.00 H new ATOM 0 HA MET A 47 -6.289 1.774 -1.544 1.00 0.00 H new ATOM 0 HB2 MET A 47 -7.013 3.989 -2.044 1.00 0.00 H new ATOM 0 HB3 MET A 47 -6.942 3.026 -3.507 1.00 0.00 H new ATOM 0 HG2 MET A 47 -9.265 2.974 -3.765 1.00 0.00 H new ATOM 0 HG3 MET A 47 -9.572 3.237 -2.060 1.00 0.00 H new ATOM 0 HE1 MET A 47 -9.405 6.984 -1.491 1.00 0.00 H new ATOM 0 HE2 MET A 47 -9.968 5.394 -0.925 1.00 0.00 H new ATOM 0 HE3 MET A 47 -8.224 5.729 -1.049 1.00 0.00 H new ATOM 751 N PHE A 48 -7.603 2.907 0.479 1.00 0.00 N ATOM 752 CA PHE A 48 -8.246 3.178 1.753 1.00 0.00 C ATOM 753 C PHE A 48 -8.407 4.690 1.871 1.00 0.00 C ATOM 754 O PHE A 48 -7.500 5.445 1.513 1.00 0.00 O ATOM 755 CB PHE A 48 -7.461 2.613 2.952 1.00 0.00 C ATOM 756 CG PHE A 48 -6.744 1.273 2.833 1.00 0.00 C ATOM 757 CD1 PHE A 48 -5.569 1.157 2.059 1.00 0.00 C ATOM 758 CD2 PHE A 48 -7.159 0.181 3.623 1.00 0.00 C ATOM 759 CE1 PHE A 48 -4.801 -0.020 2.093 1.00 0.00 C ATOM 760 CE2 PHE A 48 -6.402 -1.004 3.643 1.00 0.00 C ATOM 761 CZ PHE A 48 -5.219 -1.090 2.888 1.00 0.00 C ATOM 0 H PHE A 48 -6.784 3.487 0.297 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.214 2.677 1.777 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.714 3.357 3.229 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.157 2.535 3.787 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.257 1.981 1.434 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.060 0.255 4.214 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.895 -0.096 1.509 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.728 -1.845 4.236 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.627 -1.993 2.923 1.00 0.00 H new ATOM 771 N SER A 49 -9.539 5.150 2.385 1.00 0.00 N ATOM 772 CA SER A 49 -9.799 6.549 2.661 1.00 0.00 C ATOM 773 C SER A 49 -9.636 6.765 4.166 1.00 0.00 C ATOM 774 O SER A 49 -10.258 6.052 4.953 1.00 0.00 O ATOM 775 CB SER A 49 -11.223 6.899 2.215 1.00 0.00 C ATOM 776 OG SER A 49 -11.580 6.342 0.958 1.00 0.00 O ATOM 0 H SER A 49 -10.321 4.541 2.627 1.00 0.00 H new ATOM 0 HA SER A 49 -9.105 7.191 2.119 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.927 6.550 2.970 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.322 7.983 2.164 1.00 0.00 H new ATOM 0 HG SER A 49 -12.498 6.601 0.734 1.00 0.00 H new ATOM 782 N ASN A 50 -8.831 7.738 4.595 1.00 0.00 N ATOM 783 CA ASN A 50 -8.844 8.205 5.978 1.00 0.00 C ATOM 784 C ASN A 50 -10.133 8.977 6.185 1.00 0.00 C ATOM 785 O ASN A 50 -10.202 10.171 5.901 1.00 0.00 O ATOM 786 CB ASN A 50 -7.622 9.054 6.332 1.00 0.00 C ATOM 787 CG ASN A 50 -7.835 9.691 7.697 1.00 0.00 C ATOM 788 OD1 ASN A 50 -8.069 8.982 8.665 1.00 0.00 O ATOM 789 ND2 ASN A 50 -7.784 10.998 7.813 1.00 0.00 N ATOM 0 H ASN A 50 -8.158 8.219 3.998 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.795 7.346 6.647 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -6.725 8.435 6.342 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.469 9.825 5.577 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -7.941 11.436 8.721 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -7.588 11.575 6.995 1.00 0.00 H new ATOM 796 N GLN A 51 -11.182 8.252 6.554 1.00 0.00 N ATOM 797 CA GLN A 51 -12.548 8.699 6.784 1.00 0.00 C ATOM 798 C GLN A 51 -13.221 9.372 5.564 1.00 0.00 C ATOM 799 O GLN A 51 -14.431 9.557 5.590 1.00 0.00 O ATOM 800 CB GLN A 51 -12.650 9.526 8.081 1.00 0.00 C ATOM 801 CG GLN A 51 -11.686 9.086 9.206 1.00 0.00 C ATOM 802 CD GLN A 51 -12.268 9.211 10.612 1.00 0.00 C ATOM 803 OE1 GLN A 51 -12.148 10.224 11.289 1.00 0.00 O ATOM 804 NE2 GLN A 51 -12.910 8.164 11.107 1.00 0.00 N ATOM 0 H GLN A 51 -11.089 7.249 6.713 1.00 0.00 H new ATOM 0 HA GLN A 51 -13.142 7.796 6.927 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -12.457 10.572 7.845 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.673 9.467 8.454 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -11.396 8.049 9.036 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -10.778 9.685 9.146 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -13.013 7.318 10.547 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -13.302 8.204 12.048 1.00 0.00 H new ATOM 813 N GLY A 52 -12.489 9.662 4.481 1.00 0.00 N ATOM 814 CA GLY A 52 -12.954 10.316 3.263 1.00 0.00 C ATOM 815 C GLY A 52 -11.822 10.783 2.325 1.00 0.00 C ATOM 816 O GLY A 52 -12.096 11.134 1.173 1.00 0.00 O ATOM 0 H GLY A 52 -11.497 9.430 4.434 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.601 9.628 2.719 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.563 11.178 3.536 1.00 0.00 H new ATOM 820 N THR A 53 -10.559 10.790 2.772 1.00 0.00 N ATOM 821 CA THR A 53 -9.402 11.308 2.025 1.00 0.00 C ATOM 822 C THR A 53 -8.825 10.247 1.059 1.00 0.00 C ATOM 823 O THR A 53 -9.440 9.201 0.842 1.00 0.00 O ATOM 824 CB THR A 53 -8.339 11.810 3.028 1.00 0.00 C ATOM 825 OG1 THR A 53 -8.920 12.219 4.237 1.00 0.00 O ATOM 826 CG2 THR A 53 -7.496 12.989 2.525 1.00 0.00 C ATOM 0 H THR A 53 -10.305 10.425 3.690 1.00 0.00 H new ATOM 0 HA THR A 53 -9.723 12.143 1.402 1.00 0.00 H new ATOM 0 HB THR A 53 -7.689 10.945 3.163 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.169 11.431 4.764 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.777 13.275 3.292 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.964 12.696 1.620 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.148 13.835 2.305 1.00 0.00 H new ATOM 834 N PHE A 54 -7.652 10.497 0.465 1.00 0.00 N ATOM 835 CA PHE A 54 -6.970 9.650 -0.522 1.00 0.00 C ATOM 836 C PHE A 54 -5.527 9.313 -0.087 1.00 0.00 C ATOM 837 O PHE A 54 -4.699 8.928 -0.903 1.00 0.00 O ATOM 838 CB PHE A 54 -7.036 10.373 -1.881 1.00 0.00 C ATOM 839 CG PHE A 54 -6.451 9.610 -3.057 1.00 0.00 C ATOM 840 CD1 PHE A 54 -7.128 8.489 -3.574 1.00 0.00 C ATOM 841 CD2 PHE A 54 -5.204 9.989 -3.598 1.00 0.00 C ATOM 842 CE1 PHE A 54 -6.554 7.739 -4.616 1.00 0.00 C ATOM 843 CE2 PHE A 54 -4.639 9.244 -4.646 1.00 0.00 C ATOM 844 CZ PHE A 54 -5.307 8.114 -5.149 1.00 0.00 C ATOM 0 H PHE A 54 -7.123 11.344 0.672 1.00 0.00 H new ATOM 0 HA PHE A 54 -7.468 8.684 -0.606 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -8.079 10.601 -2.101 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.513 11.325 -1.792 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.089 8.205 -3.170 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.685 10.851 -3.207 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -7.071 6.875 -5.007 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.689 9.540 -5.066 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.863 7.534 -5.944 1.00 0.00 H new ATOM 854 N ILE A 55 -5.204 9.451 1.198 1.00 0.00 N ATOM 855 CA ILE A 55 -3.863 9.354 1.783 1.00 0.00 C ATOM 856 C ILE A 55 -3.241 7.932 1.669 1.00 0.00 C ATOM 857 O ILE A 55 -2.165 7.694 2.211 1.00 0.00 O ATOM 858 CB ILE A 55 -3.896 9.888 3.252 1.00 0.00 C ATOM 859 CG1 ILE A 55 -4.667 11.215 3.454 1.00 0.00 C ATOM 860 CG2 ILE A 55 -2.484 10.155 3.799 1.00 0.00 C ATOM 861 CD1 ILE A 55 -4.907 11.591 4.929 1.00 0.00 C ATOM 0 H ILE A 55 -5.914 9.646 1.904 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.194 9.986 1.199 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.410 9.085 3.780 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.113 12.020 2.971 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.630 11.143 2.948 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.554 10.525 4.822 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.908 9.230 3.786 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.988 10.900 3.177 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.453 12.533 4.980 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.489 10.807 5.414 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.949 11.699 5.438 1.00 0.00 H new ATOM 873 N ILE A 56 -3.857 6.941 1.009 1.00 0.00 N ATOM 874 CA ILE A 56 -3.208 5.705 0.601 1.00 0.00 C ATOM 875 C ILE A 56 -3.945 5.058 -0.580 1.00 0.00 C ATOM 876 O ILE A 56 -5.179 5.022 -0.613 1.00 0.00 O ATOM 877 CB ILE A 56 -3.114 4.779 1.828 1.00 0.00 C ATOM 878 CG1 ILE A 56 -2.439 3.441 1.496 1.00 0.00 C ATOM 879 CG2 ILE A 56 -4.464 4.554 2.517 1.00 0.00 C ATOM 880 CD1 ILE A 56 -1.670 2.977 2.721 1.00 0.00 C ATOM 0 H ILE A 56 -4.841 6.986 0.742 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.199 5.907 0.242 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.479 5.306 2.540 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -3.186 2.699 1.213 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -1.766 3.556 0.646 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.330 3.893 3.373 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.864 5.510 2.855 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -5.160 4.098 1.813 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -1.182 2.026 2.506 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.917 3.721 2.981 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.359 2.851 3.556 1.00 0.00 H new ATOM 892 N GLY A 57 -3.186 4.470 -1.506 1.00 0.00 N ATOM 893 CA GLY A 57 -3.683 3.572 -2.538 1.00 0.00 C ATOM 894 C GLY A 57 -2.537 2.716 -3.070 1.00 0.00 C ATOM 895 O GLY A 57 -1.387 3.172 -3.096 1.00 0.00 O ATOM 0 H GLY A 57 -2.177 4.613 -1.556 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.468 2.934 -2.132 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.128 4.147 -3.350 1.00 0.00 H new ATOM 899 N PHE A 58 -2.813 1.483 -3.494 1.00 0.00 N ATOM 900 CA PHE A 58 -1.876 0.598 -4.177 1.00 0.00 C ATOM 901 C PHE A 58 -2.663 -0.308 -5.117 1.00 0.00 C ATOM 902 O PHE A 58 -3.892 -0.368 -5.068 1.00 0.00 O ATOM 903 CB PHE A 58 -1.010 -0.230 -3.190 1.00 0.00 C ATOM 904 CG PHE A 58 -1.700 -1.036 -2.100 1.00 0.00 C ATOM 905 CD1 PHE A 58 -2.635 -2.043 -2.406 1.00 0.00 C ATOM 906 CD2 PHE A 58 -1.348 -0.826 -0.754 1.00 0.00 C ATOM 907 CE1 PHE A 58 -3.253 -2.779 -1.381 1.00 0.00 C ATOM 908 CE2 PHE A 58 -1.985 -1.543 0.272 1.00 0.00 C ATOM 909 CZ PHE A 58 -2.942 -2.523 -0.035 1.00 0.00 C ATOM 0 H PHE A 58 -3.732 1.059 -3.365 1.00 0.00 H new ATOM 0 HA PHE A 58 -1.174 1.207 -4.747 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.409 -0.922 -3.780 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.318 0.457 -2.703 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.879 -2.252 -3.437 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.581 -0.107 -0.508 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.971 -3.546 -1.629 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.737 -1.339 1.303 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.433 -3.073 0.754 1.00 0.00 H new ATOM 919 N SER A 59 -1.945 -1.064 -5.939 1.00 0.00 N ATOM 920 CA SER A 59 -2.492 -2.175 -6.693 1.00 0.00 C ATOM 921 C SER A 59 -1.362 -3.145 -7.005 1.00 0.00 C ATOM 922 O SER A 59 -0.180 -2.775 -7.002 1.00 0.00 O ATOM 923 CB SER A 59 -3.162 -1.727 -8.004 1.00 0.00 C ATOM 924 OG SER A 59 -3.199 -0.322 -8.195 1.00 0.00 O ATOM 0 H SER A 59 -0.949 -0.916 -6.100 1.00 0.00 H new ATOM 0 HA SER A 59 -3.264 -2.649 -6.087 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.632 -2.181 -8.842 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.182 -2.111 -8.026 1.00 0.00 H new ATOM 0 HG SER A 59 -3.332 -0.124 -9.146 1.00 0.00 H new ATOM 930 N THR A 60 -1.732 -4.371 -7.355 1.00 0.00 N ATOM 931 CA THR A 60 -0.822 -5.330 -7.942 1.00 0.00 C ATOM 932 C THR A 60 -0.272 -4.796 -9.271 1.00 0.00 C ATOM 933 O THR A 60 -0.934 -4.026 -9.981 1.00 0.00 O ATOM 934 CB THR A 60 -1.569 -6.664 -8.117 1.00 0.00 C ATOM 935 OG1 THR A 60 -2.807 -6.460 -8.781 1.00 0.00 O ATOM 936 CG2 THR A 60 -1.890 -7.315 -6.769 1.00 0.00 C ATOM 0 H THR A 60 -2.681 -4.724 -7.236 1.00 0.00 H new ATOM 0 HA THR A 60 0.036 -5.494 -7.290 1.00 0.00 H new ATOM 0 HB THR A 60 -0.911 -7.310 -8.698 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.268 -7.319 -8.885 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.417 -8.254 -6.935 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.963 -7.510 -6.229 1.00 0.00 H new ATOM 0 HG23 THR A 60 -2.518 -6.645 -6.182 1.00 0.00 H new ATOM 944 N SER A 61 0.921 -5.245 -9.636 1.00 0.00 N ATOM 945 CA SER A 61 1.499 -5.171 -10.963 1.00 0.00 C ATOM 946 C SER A 61 2.064 -6.565 -11.271 1.00 0.00 C ATOM 947 O SER A 61 2.135 -7.446 -10.402 1.00 0.00 O ATOM 948 CB SER A 61 2.562 -4.055 -11.006 1.00 0.00 C ATOM 949 OG SER A 61 3.045 -3.837 -12.319 1.00 0.00 O ATOM 0 H SER A 61 1.546 -5.698 -8.969 1.00 0.00 H new ATOM 0 HA SER A 61 0.767 -4.910 -11.727 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.134 -3.131 -10.618 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.393 -4.320 -10.353 1.00 0.00 H new ATOM 0 HG SER A 61 3.591 -3.024 -12.336 1.00 0.00 H new ATOM 955 N LYS A 62 2.480 -6.763 -12.522 1.00 0.00 N ATOM 956 CA LYS A 62 2.880 -8.045 -13.091 1.00 0.00 C ATOM 957 C LYS A 62 3.881 -8.785 -12.200 1.00 0.00 C ATOM 958 O LYS A 62 3.650 -9.950 -11.878 1.00 0.00 O ATOM 959 CB LYS A 62 3.406 -7.769 -14.508 1.00 0.00 C ATOM 960 CG LYS A 62 3.550 -9.007 -15.400 1.00 0.00 C ATOM 961 CD LYS A 62 3.889 -8.627 -16.854 1.00 0.00 C ATOM 962 CE LYS A 62 5.134 -7.732 -16.963 1.00 0.00 C ATOM 963 NZ LYS A 62 5.515 -7.458 -18.364 1.00 0.00 N ATOM 0 H LYS A 62 2.550 -5.999 -13.194 1.00 0.00 H new ATOM 0 HA LYS A 62 2.029 -8.723 -13.150 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.734 -7.064 -14.997 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.378 -7.282 -14.430 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.332 -9.653 -15.001 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.622 -9.579 -15.380 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.049 -9.536 -17.434 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.037 -8.112 -17.298 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.945 -6.789 -16.451 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.968 -8.212 -16.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.359 -6.851 -18.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.723 -8.354 -18.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.732 -6.976 -18.849 1.00 0.00 H new ATOM 977 N HIS A 63 4.949 -8.109 -11.762 1.00 0.00 N ATOM 978 CA HIS A 63 6.028 -8.692 -10.951 1.00 0.00 C ATOM 979 C HIS A 63 6.341 -7.865 -9.690 1.00 0.00 C ATOM 980 O HIS A 63 7.317 -8.149 -8.994 1.00 0.00 O ATOM 981 CB HIS A 63 7.282 -8.885 -11.817 1.00 0.00 C ATOM 982 CG HIS A 63 7.053 -9.747 -13.032 1.00 0.00 C ATOM 983 ND1 HIS A 63 6.580 -11.038 -13.029 1.00 0.00 N ATOM 984 CD2 HIS A 63 7.253 -9.376 -14.331 1.00 0.00 C ATOM 985 CE1 HIS A 63 6.464 -11.437 -14.306 1.00 0.00 C ATOM 986 NE2 HIS A 63 6.879 -10.460 -15.134 1.00 0.00 N ATOM 0 H HIS A 63 5.092 -7.120 -11.965 1.00 0.00 H new ATOM 0 HA HIS A 63 5.685 -9.663 -10.594 1.00 0.00 H new ATOM 0 HB2 HIS A 63 7.644 -7.909 -12.138 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.068 -9.332 -11.208 1.00 0.00 H new ATOM 0 HD2 HIS A 63 7.629 -8.424 -14.675 1.00 0.00 H new ATOM 0 HE1 HIS A 63 6.092 -12.400 -14.622 1.00 0.00 H new ATOM 0 HE2 HIS A 63 6.914 -10.502 -16.153 1.00 0.00 H new ATOM 994 N HIS A 64 5.541 -6.842 -9.375 1.00 0.00 N ATOM 995 CA HIS A 64 5.722 -6.023 -8.183 1.00 0.00 C ATOM 996 C HIS A 64 4.370 -5.543 -7.651 1.00 0.00 C ATOM 997 O HIS A 64 3.355 -5.674 -8.332 1.00 0.00 O ATOM 998 CB HIS A 64 6.676 -4.856 -8.501 1.00 0.00 C ATOM 999 CG HIS A 64 6.300 -3.945 -9.641 1.00 0.00 C ATOM 1000 ND1 HIS A 64 6.666 -4.098 -10.960 1.00 0.00 N ATOM 1001 CD2 HIS A 64 5.710 -2.716 -9.517 1.00 0.00 C ATOM 1002 CE1 HIS A 64 6.267 -3.009 -11.631 1.00 0.00 C ATOM 1003 NE2 HIS A 64 5.751 -2.107 -10.778 1.00 0.00 N ATOM 0 H HIS A 64 4.745 -6.561 -9.947 1.00 0.00 H new ATOM 0 HA HIS A 64 6.176 -6.619 -7.391 1.00 0.00 H new ATOM 0 HB2 HIS A 64 6.775 -4.248 -7.602 1.00 0.00 H new ATOM 0 HB3 HIS A 64 7.660 -5.274 -8.714 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.291 -2.294 -8.615 1.00 0.00 H new ATOM 0 HE1 HIS A 64 6.348 -2.876 -12.700 1.00 0.00 H new ATOM 0 HE2 HIS A 64 5.447 -1.160 -11.005 1.00 0.00 H new ATOM 1011 N LEU A 65 4.356 -4.966 -6.453 1.00 0.00 N ATOM 1012 CA LEU A 65 3.278 -4.127 -5.932 1.00 0.00 C ATOM 1013 C LEU A 65 3.759 -2.683 -6.052 1.00 0.00 C ATOM 1014 O LEU A 65 4.958 -2.451 -5.875 1.00 0.00 O ATOM 1015 CB LEU A 65 3.050 -4.486 -4.452 1.00 0.00 C ATOM 1016 CG LEU A 65 1.878 -3.747 -3.774 1.00 0.00 C ATOM 1017 CD1 LEU A 65 0.511 -4.298 -4.184 1.00 0.00 C ATOM 1018 CD2 LEU A 65 2.002 -3.887 -2.259 1.00 0.00 C ATOM 0 H LEU A 65 5.125 -5.073 -5.791 1.00 0.00 H new ATOM 0 HA LEU A 65 2.344 -4.270 -6.475 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.875 -5.559 -4.377 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.964 -4.273 -3.897 1.00 0.00 H new ATOM 0 HG LEU A 65 1.937 -2.706 -4.093 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.274 -3.739 -3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.387 -4.198 -5.262 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.445 -5.350 -3.907 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.175 -3.366 -1.777 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.974 -4.942 -1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.946 -3.453 -1.930 1.00 0.00 H new ATOM 1030 N SER A 66 2.870 -1.718 -6.298 1.00 0.00 N ATOM 1031 CA SER A 66 3.215 -0.304 -6.375 1.00 0.00 C ATOM 1032 C SER A 66 2.397 0.478 -5.336 1.00 0.00 C ATOM 1033 O SER A 66 1.172 0.340 -5.318 1.00 0.00 O ATOM 1034 CB SER A 66 2.985 0.208 -7.799 1.00 0.00 C ATOM 1035 OG SER A 66 3.332 -0.724 -8.809 1.00 0.00 O ATOM 0 H SER A 66 1.879 -1.903 -6.451 1.00 0.00 H new ATOM 0 HA SER A 66 4.270 -0.159 -6.144 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.935 0.477 -7.912 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.565 1.119 -7.945 1.00 0.00 H new ATOM 0 HG SER A 66 3.158 -0.331 -9.690 1.00 0.00 H new ATOM 1041 N VAL A 67 3.067 1.242 -4.466 1.00 0.00 N ATOM 1042 CA VAL A 67 2.608 1.705 -3.151 1.00 0.00 C ATOM 1043 C VAL A 67 2.973 3.191 -2.983 1.00 0.00 C ATOM 1044 O VAL A 67 4.066 3.596 -3.387 1.00 0.00 O ATOM 1045 CB VAL A 67 3.314 0.833 -2.076 1.00 0.00 C ATOM 1046 CG1 VAL A 67 2.924 1.146 -0.622 1.00 0.00 C ATOM 1047 CG2 VAL A 67 3.051 -0.665 -2.286 1.00 0.00 C ATOM 0 H VAL A 67 4.008 1.576 -4.676 1.00 0.00 H new ATOM 0 HA VAL A 67 1.527 1.610 -3.049 1.00 0.00 H new ATOM 0 HB VAL A 67 4.365 1.085 -2.216 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.470 0.485 0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.173 2.182 -0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.853 0.993 -0.492 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.564 -1.236 -1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.980 -0.858 -2.230 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.423 -0.966 -3.265 1.00 0.00 H new ATOM 1057 N SER A 68 2.102 3.997 -2.367 1.00 0.00 N ATOM 1058 CA SER A 68 2.371 5.365 -1.916 1.00 0.00 C ATOM 1059 C SER A 68 1.223 5.816 -0.997 1.00 0.00 C ATOM 1060 O SER A 68 0.103 5.322 -1.169 1.00 0.00 O ATOM 1061 CB SER A 68 2.447 6.311 -3.126 1.00 0.00 C ATOM 1062 OG SER A 68 2.891 7.602 -2.748 1.00 0.00 O ATOM 0 H SER A 68 1.148 3.700 -2.160 1.00 0.00 H new ATOM 0 HA SER A 68 3.320 5.392 -1.380 1.00 0.00 H new ATOM 0 HB2 SER A 68 3.125 5.896 -3.872 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.465 6.385 -3.594 1.00 0.00 H new ATOM 0 HG SER A 68 2.297 8.279 -3.135 1.00 0.00 H new ATOM 1068 N PRO A 69 1.458 6.734 -0.035 1.00 0.00 N ATOM 1069 CA PRO A 69 0.375 7.427 0.639 1.00 0.00 C ATOM 1070 C PRO A 69 -0.195 8.563 -0.223 1.00 0.00 C ATOM 1071 O PRO A 69 -1.364 8.505 -0.590 1.00 0.00 O ATOM 1072 CB PRO A 69 0.971 7.950 1.947 1.00 0.00 C ATOM 1073 CG PRO A 69 2.457 8.119 1.629 1.00 0.00 C ATOM 1074 CD PRO A 69 2.732 7.013 0.608 1.00 0.00 C ATOM 0 HA PRO A 69 -0.467 6.761 0.827 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.516 8.895 2.245 1.00 0.00 H new ATOM 0 HB3 PRO A 69 0.815 7.249 2.767 1.00 0.00 H new ATOM 0 HG2 PRO A 69 2.670 9.106 1.219 1.00 0.00 H new ATOM 0 HG3 PRO A 69 3.074 8.005 2.520 1.00 0.00 H new ATOM 0 HD2 PRO A 69 3.476 7.332 -0.122 1.00 0.00 H new ATOM 0 HD3 PRO A 69 3.126 6.121 1.096 1.00 0.00 H new ATOM 1082 N GLU A 70 0.625 9.523 -0.663 1.00 0.00 N ATOM 1083 CA GLU A 70 0.248 10.529 -1.653 1.00 0.00 C ATOM 1084 C GLU A 70 1.461 10.696 -2.566 1.00 0.00 C ATOM 1085 O GLU A 70 1.591 9.961 -3.548 1.00 0.00 O ATOM 1086 CB GLU A 70 -0.204 11.867 -1.013 1.00 0.00 C ATOM 1087 CG GLU A 70 -1.499 11.758 -0.190 1.00 0.00 C ATOM 1088 CD GLU A 70 -2.161 13.100 0.189 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -1.620 14.183 -0.133 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -3.245 13.071 0.819 1.00 0.00 O ATOM 0 H GLU A 70 1.585 9.622 -0.334 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.625 10.203 -2.218 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.594 12.238 -0.370 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.347 12.606 -1.802 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -2.218 11.165 -0.754 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -1.281 11.209 0.726 1.00 0.00 H new ATOM 1097 N GLU A 71 2.403 11.558 -2.180 1.00 0.00 N ATOM 1098 CA GLU A 71 3.586 11.891 -2.977 1.00 0.00 C ATOM 1099 C GLU A 71 4.840 12.102 -2.118 1.00 0.00 C ATOM 1100 O GLU A 71 5.919 11.700 -2.543 1.00 0.00 O ATOM 1101 CB GLU A 71 3.294 13.102 -3.883 1.00 0.00 C ATOM 1102 CG GLU A 71 2.975 14.375 -3.086 1.00 0.00 C ATOM 1103 CD GLU A 71 2.588 15.602 -3.919 1.00 0.00 C ATOM 1104 OE1 GLU A 71 2.593 15.529 -5.172 1.00 0.00 O ATOM 1105 OE2 GLU A 71 2.290 16.643 -3.280 1.00 0.00 O ATOM 0 H GLU A 71 2.365 12.053 -1.289 1.00 0.00 H new ATOM 0 HA GLU A 71 3.808 11.033 -3.612 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.155 13.286 -4.525 1.00 0.00 H new ATOM 0 HB3 GLU A 71 2.454 12.867 -4.537 1.00 0.00 H new ATOM 0 HG2 GLU A 71 2.160 14.155 -2.397 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.845 14.630 -2.480 1.00 0.00 H new ATOM 1112 N ILE A 72 4.733 12.644 -0.894 1.00 0.00 N ATOM 1113 CA ILE A 72 5.908 12.922 -0.056 1.00 0.00 C ATOM 1114 C ILE A 72 6.684 11.643 0.267 1.00 0.00 C ATOM 1115 O ILE A 72 7.915 11.654 0.311 1.00 0.00 O ATOM 1116 CB ILE A 72 5.500 13.689 1.216 1.00 0.00 C ATOM 1117 CG1 ILE A 72 6.745 14.227 1.956 1.00 0.00 C ATOM 1118 CG2 ILE A 72 4.629 12.831 2.151 1.00 0.00 C ATOM 1119 CD1 ILE A 72 6.428 15.400 2.888 1.00 0.00 C ATOM 0 H ILE A 72 3.844 12.898 -0.464 1.00 0.00 H new ATOM 0 HA ILE A 72 6.585 13.562 -0.623 1.00 0.00 H new ATOM 0 HB ILE A 72 4.893 14.539 0.903 1.00 0.00 H new ATOM 0 HG12 ILE A 72 7.193 13.420 2.536 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.488 14.543 1.223 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.364 13.411 3.035 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.721 12.531 1.628 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.184 11.943 2.452 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.343 15.733 3.378 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.007 16.222 2.308 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.708 15.082 3.642 1.00 0.00 H new ATOM 1131 N GLY A 73 5.973 10.521 0.412 1.00 0.00 N ATOM 1132 CA GLY A 73 6.534 9.180 0.554 1.00 0.00 C ATOM 1133 C GLY A 73 7.569 8.844 -0.524 1.00 0.00 C ATOM 1134 O GLY A 73 8.406 7.968 -0.332 1.00 0.00 O ATOM 0 H GLY A 73 4.953 10.525 0.434 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.998 9.089 1.536 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.727 8.449 0.514 1.00 0.00 H new ATOM 1138 N ILE A 74 7.518 9.532 -1.662 1.00 0.00 N ATOM 1139 CA ILE A 74 8.281 9.262 -2.867 1.00 0.00 C ATOM 1140 C ILE A 74 9.322 10.366 -3.092 1.00 0.00 C ATOM 1141 O ILE A 74 10.119 10.272 -4.027 1.00 0.00 O ATOM 1142 CB ILE A 74 7.297 9.128 -4.052 1.00 0.00 C ATOM 1143 CG1 ILE A 74 5.999 8.359 -3.703 1.00 0.00 C ATOM 1144 CG2 ILE A 74 7.978 8.464 -5.255 1.00 0.00 C ATOM 1145 CD1 ILE A 74 6.232 6.953 -3.134 1.00 0.00 C ATOM 0 H ILE A 74 6.905 10.340 -1.769 1.00 0.00 H new ATOM 0 HA ILE A 74 8.833 8.327 -2.772 1.00 0.00 H new ATOM 0 HB ILE A 74 7.004 10.147 -4.303 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.429 8.941 -2.979 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.386 8.278 -4.601 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.266 8.381 -6.076 1.00 0.00 H new ATOM 0 HG22 ILE A 74 8.828 9.069 -5.572 1.00 0.00 H new ATOM 0 HG23 ILE A 74 8.325 7.470 -4.974 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.272 6.485 -2.917 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.773 6.350 -3.863 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.817 7.024 -2.217 1.00 0.00 H new ATOM 1157 N SER A 75 9.361 11.385 -2.229 1.00 0.00 N ATOM 1158 CA SER A 75 10.279 12.505 -2.331 1.00 0.00 C ATOM 1159 C SER A 75 11.197 12.563 -1.099 1.00 0.00 C ATOM 1160 O SER A 75 12.423 12.584 -1.243 1.00 0.00 O ATOM 1161 CB SER A 75 9.461 13.789 -2.507 1.00 0.00 C ATOM 1162 OG SER A 75 8.654 13.721 -3.671 1.00 0.00 O ATOM 0 H SER A 75 8.738 11.448 -1.424 1.00 0.00 H new ATOM 0 HA SER A 75 10.930 12.386 -3.197 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.831 13.946 -1.632 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.132 14.646 -2.575 1.00 0.00 H new ATOM 0 HG SER A 75 8.140 14.550 -3.762 1.00 0.00 H new ATOM 1168 N GLN A 76 10.613 12.528 0.103 1.00 0.00 N ATOM 1169 CA GLN A 76 11.249 12.700 1.401 1.00 0.00 C ATOM 1170 C GLN A 76 11.814 11.356 1.811 1.00 0.00 C ATOM 1171 O GLN A 76 13.021 11.197 1.994 1.00 0.00 O ATOM 1172 CB GLN A 76 10.183 13.222 2.385 1.00 0.00 C ATOM 1173 CG GLN A 76 10.389 13.020 3.893 1.00 0.00 C ATOM 1174 CD GLN A 76 11.714 13.527 4.459 1.00 0.00 C ATOM 1175 OE1 GLN A 76 12.510 14.173 3.788 1.00 0.00 O ATOM 1176 NE2 GLN A 76 11.984 13.209 5.709 1.00 0.00 N ATOM 0 H GLN A 76 9.610 12.367 0.194 1.00 0.00 H new ATOM 0 HA GLN A 76 12.066 13.421 1.382 1.00 0.00 H new ATOM 0 HB2 GLN A 76 10.072 14.292 2.210 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.235 12.755 2.119 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.576 13.518 4.421 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.306 11.955 4.112 1.00 0.00 H new ATOM 0 HE21 GLN A 76 11.311 12.671 6.255 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.866 13.501 6.131 1.00 0.00 H new ATOM 1185 N PHE A 77 10.921 10.369 1.889 1.00 0.00 N ATOM 1186 CA PHE A 77 11.220 9.000 2.281 1.00 0.00 C ATOM 1187 C PHE A 77 11.923 8.236 1.149 1.00 0.00 C ATOM 1188 O PHE A 77 12.257 7.057 1.284 1.00 0.00 O ATOM 1189 CB PHE A 77 9.953 8.296 2.778 1.00 0.00 C ATOM 1190 CG PHE A 77 9.173 9.056 3.839 1.00 0.00 C ATOM 1191 CD1 PHE A 77 8.362 10.143 3.463 1.00 0.00 C ATOM 1192 CD2 PHE A 77 9.236 8.683 5.196 1.00 0.00 C ATOM 1193 CE1 PHE A 77 7.627 10.854 4.416 1.00 0.00 C ATOM 1194 CE2 PHE A 77 8.483 9.387 6.156 1.00 0.00 C ATOM 1195 CZ PHE A 77 7.671 10.466 5.760 1.00 0.00 C ATOM 0 H PHE A 77 9.934 10.511 1.672 1.00 0.00 H new ATOM 0 HA PHE A 77 11.922 9.020 3.114 1.00 0.00 H new ATOM 0 HB2 PHE A 77 9.298 8.115 1.926 1.00 0.00 H new ATOM 0 HB3 PHE A 77 10.230 7.321 3.180 1.00 0.00 H new ATOM 0 HD1 PHE A 77 8.307 10.432 2.424 1.00 0.00 H new ATOM 0 HD2 PHE A 77 9.862 7.857 5.500 1.00 0.00 H new ATOM 0 HE1 PHE A 77 7.027 11.700 4.116 1.00 0.00 H new ATOM 0 HE2 PHE A 77 8.529 9.099 7.196 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.081 10.995 6.494 1.00 0.00 H new ATOM 1205 N ALA A 78 12.157 8.906 0.014 1.00 0.00 N ATOM 1206 CA ALA A 78 12.804 8.352 -1.154 1.00 0.00 C ATOM 1207 C ALA A 78 14.192 7.822 -0.817 1.00 0.00 C ATOM 1208 O ALA A 78 14.575 6.781 -1.341 1.00 0.00 O ATOM 1209 CB ALA A 78 12.923 9.434 -2.224 1.00 0.00 C ATOM 0 H ALA A 78 11.887 9.882 -0.108 1.00 0.00 H new ATOM 0 HA ALA A 78 12.200 7.522 -1.520 1.00 0.00 H new ATOM 0 HB1 ALA A 78 13.411 9.021 -3.107 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.929 9.791 -2.492 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.515 10.264 -1.838 1.00 0.00 H new ATOM 1215 N ASP A 79 14.957 8.523 0.016 1.00 0.00 N ATOM 1216 CA ASP A 79 16.359 8.185 0.257 1.00 0.00 C ATOM 1217 C ASP A 79 16.440 6.922 1.105 1.00 0.00 C ATOM 1218 O ASP A 79 17.305 6.067 0.903 1.00 0.00 O ATOM 1219 CB ASP A 79 17.089 9.343 0.947 1.00 0.00 C ATOM 1220 CG ASP A 79 17.274 10.579 0.062 1.00 0.00 C ATOM 1221 OD1 ASP A 79 16.773 10.617 -1.089 1.00 0.00 O ATOM 1222 OD2 ASP A 79 17.916 11.540 0.544 1.00 0.00 O ATOM 0 H ASP A 79 14.627 9.334 0.539 1.00 0.00 H new ATOM 0 HA ASP A 79 16.848 8.006 -0.701 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.533 9.628 1.840 1.00 0.00 H new ATOM 0 HB3 ASP A 79 18.068 8.996 1.278 1.00 0.00 H new ATOM 1227 N ALA A 80 15.505 6.762 2.038 1.00 0.00 N ATOM 1228 CA ALA A 80 15.319 5.537 2.777 1.00 0.00 C ATOM 1229 C ALA A 80 14.967 4.398 1.808 1.00 0.00 C ATOM 1230 O ALA A 80 15.592 3.339 1.881 1.00 0.00 O ATOM 1231 CB ALA A 80 14.259 5.761 3.861 1.00 0.00 C ATOM 0 H ALA A 80 14.849 7.498 2.299 1.00 0.00 H new ATOM 0 HA ALA A 80 16.238 5.242 3.283 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.113 4.839 4.424 1.00 0.00 H new ATOM 0 HB2 ALA A 80 14.590 6.550 4.537 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.318 6.054 3.395 1.00 0.00 H new ATOM 1237 N ILE A 81 14.009 4.605 0.891 1.00 0.00 N ATOM 1238 CA ILE A 81 13.621 3.623 -0.132 1.00 0.00 C ATOM 1239 C ILE A 81 14.838 3.239 -0.994 1.00 0.00 C ATOM 1240 O ILE A 81 15.041 2.054 -1.273 1.00 0.00 O ATOM 1241 CB ILE A 81 12.442 4.160 -0.995 1.00 0.00 C ATOM 1242 CG1 ILE A 81 11.135 4.289 -0.188 1.00 0.00 C ATOM 1243 CG2 ILE A 81 12.163 3.246 -2.200 1.00 0.00 C ATOM 1244 CD1 ILE A 81 10.089 5.186 -0.865 1.00 0.00 C ATOM 0 H ILE A 81 13.475 5.472 0.839 1.00 0.00 H new ATOM 0 HA ILE A 81 13.269 2.718 0.364 1.00 0.00 H new ATOM 0 HB ILE A 81 12.756 5.147 -1.335 1.00 0.00 H new ATOM 0 HG12 ILE A 81 10.710 3.297 -0.037 1.00 0.00 H new ATOM 0 HG13 ILE A 81 11.364 4.691 0.799 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.334 3.651 -2.780 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.052 3.190 -2.828 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.905 2.248 -1.847 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.194 5.234 -0.245 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.497 6.189 -0.991 1.00 0.00 H new ATOM 0 HD13 ILE A 81 9.832 4.773 -1.841 1.00 0.00 H new ATOM 1256 N ALA A 82 15.640 4.221 -1.428 1.00 0.00 N ATOM 1257 CA ALA A 82 16.799 4.012 -2.288 1.00 0.00 C ATOM 1258 C ALA A 82 17.744 3.033 -1.613 1.00 0.00 C ATOM 1259 O ALA A 82 18.051 1.980 -2.169 1.00 0.00 O ATOM 1260 CB ALA A 82 17.526 5.334 -2.581 1.00 0.00 C ATOM 0 H ALA A 82 15.493 5.200 -1.183 1.00 0.00 H new ATOM 0 HA ALA A 82 16.460 3.606 -3.241 1.00 0.00 H new ATOM 0 HB1 ALA A 82 18.385 5.142 -3.224 1.00 0.00 H new ATOM 0 HB2 ALA A 82 16.844 6.021 -3.082 1.00 0.00 H new ATOM 0 HB3 ALA A 82 17.866 5.778 -1.645 1.00 0.00 H new ATOM 1266 N GLN A 83 18.150 3.365 -0.389 1.00 0.00 N ATOM 1267 CA GLN A 83 19.070 2.566 0.398 1.00 0.00 C ATOM 1268 C GLN A 83 18.473 1.229 0.846 1.00 0.00 C ATOM 1269 O GLN A 83 19.224 0.375 1.308 1.00 0.00 O ATOM 1270 CB GLN A 83 19.477 3.363 1.627 1.00 0.00 C ATOM 1271 CG GLN A 83 20.247 4.651 1.321 1.00 0.00 C ATOM 1272 CD GLN A 83 20.379 5.446 2.612 1.00 0.00 C ATOM 1273 OE1 GLN A 83 21.338 5.282 3.362 1.00 0.00 O ATOM 1274 NE2 GLN A 83 19.378 6.243 2.948 1.00 0.00 N ATOM 0 H GLN A 83 17.840 4.213 0.086 1.00 0.00 H new ATOM 0 HA GLN A 83 19.927 2.337 -0.235 1.00 0.00 H new ATOM 0 HB2 GLN A 83 18.581 3.616 2.194 1.00 0.00 H new ATOM 0 HB3 GLN A 83 20.091 2.731 2.268 1.00 0.00 H new ATOM 0 HG2 GLN A 83 21.232 4.418 0.916 1.00 0.00 H new ATOM 0 HG3 GLN A 83 19.723 5.237 0.566 1.00 0.00 H new ATOM 0 HE21 GLN A 83 18.590 6.367 2.313 1.00 0.00 H new ATOM 0 HE22 GLN A 83 19.395 6.733 3.842 1.00 0.00 H new ATOM 1283 N ALA A 84 17.150 1.047 0.783 1.00 0.00 N ATOM 1284 CA ALA A 84 16.531 -0.247 1.041 1.00 0.00 C ATOM 1285 C ALA A 84 16.595 -1.149 -0.203 1.00 0.00 C ATOM 1286 O ALA A 84 16.463 -2.365 -0.076 1.00 0.00 O ATOM 1287 CB ALA A 84 15.094 -0.039 1.531 1.00 0.00 C ATOM 0 H ALA A 84 16.488 1.788 0.554 1.00 0.00 H new ATOM 0 HA ALA A 84 17.086 -0.762 1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 84 14.632 -1.007 1.724 1.00 0.00 H new ATOM 0 HB2 ALA A 84 15.104 0.548 2.450 1.00 0.00 H new ATOM 0 HB3 ALA A 84 14.523 0.491 0.769 1.00 0.00 H new ATOM 1293 N GLY A 85 16.865 -0.589 -1.389 1.00 0.00 N ATOM 1294 CA GLY A 85 17.154 -1.340 -2.605 1.00 0.00 C ATOM 1295 C GLY A 85 16.027 -1.315 -3.632 1.00 0.00 C ATOM 1296 O GLY A 85 15.984 -2.189 -4.504 1.00 0.00 O ATOM 0 H GLY A 85 16.888 0.421 -1.527 1.00 0.00 H new ATOM 0 HA2 GLY A 85 18.058 -0.937 -3.062 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.366 -2.375 -2.339 1.00 0.00 H new ATOM 1300 N TYR A 86 15.100 -0.354 -3.555 1.00 0.00 N ATOM 1301 CA TYR A 86 13.842 -0.410 -4.297 1.00 0.00 C ATOM 1302 C TYR A 86 13.700 0.782 -5.251 1.00 0.00 C ATOM 1303 O TYR A 86 13.333 1.891 -4.861 1.00 0.00 O ATOM 1304 CB TYR A 86 12.686 -0.583 -3.301 1.00 0.00 C ATOM 1305 CG TYR A 86 12.822 -1.834 -2.442 1.00 0.00 C ATOM 1306 CD1 TYR A 86 12.791 -3.109 -3.046 1.00 0.00 C ATOM 1307 CD2 TYR A 86 13.057 -1.731 -1.054 1.00 0.00 C ATOM 1308 CE1 TYR A 86 13.056 -4.261 -2.284 1.00 0.00 C ATOM 1309 CE2 TYR A 86 13.288 -2.883 -0.283 1.00 0.00 C ATOM 1310 CZ TYR A 86 13.329 -4.150 -0.903 1.00 0.00 C ATOM 1311 OH TYR A 86 13.684 -5.256 -0.200 1.00 0.00 O ATOM 0 H TYR A 86 15.203 0.481 -2.978 1.00 0.00 H new ATOM 0 HA TYR A 86 13.823 -1.278 -4.956 1.00 0.00 H new ATOM 0 HB2 TYR A 86 12.638 0.292 -2.653 1.00 0.00 H new ATOM 0 HB3 TYR A 86 11.745 -0.626 -3.849 1.00 0.00 H new ATOM 0 HD1 TYR A 86 12.563 -3.201 -4.098 1.00 0.00 H new ATOM 0 HD2 TYR A 86 13.059 -0.760 -0.581 1.00 0.00 H new ATOM 0 HE1 TYR A 86 13.051 -5.232 -2.756 1.00 0.00 H new ATOM 0 HE2 TYR A 86 13.434 -2.799 0.784 1.00 0.00 H new ATOM 0 HH TYR A 86 12.889 -5.646 0.220 1.00 0.00 H new ATOM 1321 N SER A 87 14.001 0.555 -6.530 1.00 0.00 N ATOM 1322 CA SER A 87 13.788 1.503 -7.619 1.00 0.00 C ATOM 1323 C SER A 87 12.314 1.919 -7.677 1.00 0.00 C ATOM 1324 O SER A 87 11.449 1.066 -7.891 1.00 0.00 O ATOM 1325 CB SER A 87 14.229 0.860 -8.936 1.00 0.00 C ATOM 1326 OG SER A 87 15.612 0.560 -8.880 1.00 0.00 O ATOM 0 H SER A 87 14.413 -0.323 -6.845 1.00 0.00 H new ATOM 0 HA SER A 87 14.382 2.401 -7.448 1.00 0.00 H new ATOM 0 HB2 SER A 87 13.657 -0.050 -9.118 1.00 0.00 H new ATOM 0 HB3 SER A 87 14.027 1.535 -9.767 1.00 0.00 H new ATOM 0 HG SER A 87 15.892 0.147 -9.724 1.00 0.00 H new ATOM 1332 N ALA A 88 12.034 3.206 -7.462 1.00 0.00 N ATOM 1333 CA ALA A 88 10.703 3.794 -7.346 1.00 0.00 C ATOM 1334 C ALA A 88 10.294 4.476 -8.663 1.00 0.00 C ATOM 1335 O ALA A 88 10.933 4.269 -9.698 1.00 0.00 O ATOM 1336 CB ALA A 88 10.712 4.765 -6.154 1.00 0.00 C ATOM 0 H ALA A 88 12.772 3.902 -7.359 1.00 0.00 H new ATOM 0 HA ALA A 88 9.955 3.023 -7.162 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.727 5.218 -6.046 1.00 0.00 H new ATOM 0 HB2 ALA A 88 10.963 4.221 -5.243 1.00 0.00 H new ATOM 0 HB3 ALA A 88 11.453 5.545 -6.326 1.00 0.00 H new ATOM 1342 N THR A 89 9.218 5.261 -8.643 1.00 0.00 N ATOM 1343 CA THR A 89 8.865 6.255 -9.659 1.00 0.00 C ATOM 1344 C THR A 89 8.807 7.621 -8.958 1.00 0.00 C ATOM 1345 O THR A 89 9.312 7.753 -7.842 1.00 0.00 O ATOM 1346 CB THR A 89 7.552 5.890 -10.371 1.00 0.00 C ATOM 1347 OG1 THR A 89 6.463 6.043 -9.485 1.00 0.00 O ATOM 1348 CG2 THR A 89 7.515 4.469 -10.934 1.00 0.00 C ATOM 0 H THR A 89 8.537 5.221 -7.885 1.00 0.00 H new ATOM 0 HA THR A 89 9.614 6.286 -10.450 1.00 0.00 H new ATOM 0 HB THR A 89 7.483 6.574 -11.217 1.00 0.00 H new ATOM 0 HG1 THR A 89 6.739 5.788 -8.580 1.00 0.00 H new ATOM 0 HG21 THR A 89 6.555 4.295 -11.419 1.00 0.00 H new ATOM 0 HG22 THR A 89 8.317 4.345 -11.662 1.00 0.00 H new ATOM 0 HG23 THR A 89 7.647 3.753 -10.123 1.00 0.00 H new ATOM 1356 N LYS A 90 8.213 8.646 -9.580 1.00 0.00 N ATOM 1357 CA LYS A 90 8.126 9.979 -8.988 1.00 0.00 C ATOM 1358 C LYS A 90 6.872 10.142 -8.125 1.00 0.00 C ATOM 1359 O LYS A 90 6.850 11.020 -7.266 1.00 0.00 O ATOM 1360 CB LYS A 90 8.187 11.063 -10.078 1.00 0.00 C ATOM 1361 CG LYS A 90 9.511 11.105 -10.860 1.00 0.00 C ATOM 1362 CD LYS A 90 9.630 10.083 -12.004 1.00 0.00 C ATOM 1363 CE LYS A 90 11.025 10.187 -12.613 1.00 0.00 C ATOM 1364 NZ LYS A 90 11.283 9.100 -13.573 1.00 0.00 N ATOM 0 H LYS A 90 7.783 8.572 -10.502 1.00 0.00 H new ATOM 0 HA LYS A 90 8.987 10.100 -8.330 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.369 10.901 -10.780 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.022 12.036 -9.615 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.638 12.105 -11.274 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.332 10.942 -10.162 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.456 9.074 -11.629 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.872 10.276 -12.763 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.132 11.149 -13.115 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.772 10.157 -11.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.240 9.204 -13.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.205 8.183 -13.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.586 9.144 -14.343 1.00 0.00 H new ATOM 1378 N GLY A 91 5.842 9.309 -8.319 1.00 0.00 N ATOM 1379 CA GLY A 91 4.562 9.413 -7.617 1.00 0.00 C ATOM 1380 C GLY A 91 4.074 8.099 -7.007 1.00 0.00 C ATOM 1381 O GLY A 91 2.961 8.061 -6.486 1.00 0.00 O ATOM 0 H GLY A 91 5.878 8.532 -8.979 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.654 10.156 -6.825 1.00 0.00 H new ATOM 0 HA3 GLY A 91 3.807 9.780 -8.313 1.00 0.00 H new ATOM 1385 N LEU A 92 4.875 7.027 -7.055 1.00 0.00 N ATOM 1386 CA LEU A 92 4.769 5.879 -6.157 1.00 0.00 C ATOM 1387 C LEU A 92 6.111 5.151 -6.074 1.00 0.00 C ATOM 1388 O LEU A 92 7.008 5.432 -6.876 1.00 0.00 O ATOM 1389 CB LEU A 92 3.596 4.941 -6.507 1.00 0.00 C ATOM 1390 CG LEU A 92 3.527 4.316 -7.909 1.00 0.00 C ATOM 1391 CD1 LEU A 92 4.692 3.391 -8.257 1.00 0.00 C ATOM 1392 CD2 LEU A 92 2.218 3.533 -7.991 1.00 0.00 C ATOM 0 H LEU A 92 5.630 6.935 -7.735 1.00 0.00 H new ATOM 0 HA LEU A 92 4.530 6.256 -5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.602 4.125 -5.784 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.673 5.499 -6.351 1.00 0.00 H new ATOM 0 HG LEU A 92 3.584 5.130 -8.631 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.556 2.998 -9.265 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.627 3.949 -8.208 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.725 2.565 -7.547 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.131 3.072 -8.975 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.209 2.758 -7.225 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.379 4.210 -7.832 1.00 0.00 H new ATOM 1404 N PHE A 93 6.247 4.210 -5.140 1.00 0.00 N ATOM 1405 CA PHE A 93 7.383 3.288 -5.040 1.00 0.00 C ATOM 1406 C PHE A 93 6.888 1.849 -5.191 1.00 0.00 C ATOM 1407 O PHE A 93 5.694 1.620 -5.388 1.00 0.00 O ATOM 1408 CB PHE A 93 8.198 3.520 -3.751 1.00 0.00 C ATOM 1409 CG PHE A 93 7.633 2.872 -2.496 1.00 0.00 C ATOM 1410 CD1 PHE A 93 6.647 3.524 -1.731 1.00 0.00 C ATOM 1411 CD2 PHE A 93 8.066 1.589 -2.110 1.00 0.00 C ATOM 1412 CE1 PHE A 93 6.058 2.874 -0.633 1.00 0.00 C ATOM 1413 CE2 PHE A 93 7.446 0.922 -1.045 1.00 0.00 C ATOM 1414 CZ PHE A 93 6.432 1.558 -0.316 1.00 0.00 C ATOM 0 H PHE A 93 5.550 4.062 -4.410 1.00 0.00 H new ATOM 0 HA PHE A 93 8.078 3.486 -5.856 1.00 0.00 H new ATOM 0 HB2 PHE A 93 9.210 3.146 -3.909 1.00 0.00 H new ATOM 0 HB3 PHE A 93 8.278 4.594 -3.580 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.342 4.527 -1.989 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.881 1.116 -2.638 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.319 3.386 -0.034 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.749 -0.082 -0.786 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.938 1.036 0.490 1.00 0.00 H new ATOM 1424 N ARG A 94 7.782 0.857 -5.145 1.00 0.00 N ATOM 1425 CA ARG A 94 7.415 -0.544 -5.341 1.00 0.00 C ATOM 1426 C ARG A 94 8.153 -1.496 -4.412 1.00 0.00 C ATOM 1427 O ARG A 94 9.150 -1.123 -3.788 1.00 0.00 O ATOM 1428 CB ARG A 94 7.541 -0.928 -6.803 1.00 0.00 C ATOM 1429 CG ARG A 94 8.989 -0.826 -7.236 1.00 0.00 C ATOM 1430 CD ARG A 94 9.267 -1.919 -8.240 1.00 0.00 C ATOM 1431 NE ARG A 94 8.708 -1.633 -9.574 1.00 0.00 N ATOM 1432 CZ ARG A 94 9.132 -0.717 -10.453 1.00 0.00 C ATOM 1433 NH1 ARG A 94 10.169 0.077 -10.199 1.00 0.00 N ATOM 1434 NH2 ARG A 94 8.495 -0.610 -11.610 1.00 0.00 N ATOM 0 H ARG A 94 8.776 1.004 -4.971 1.00 0.00 H new ATOM 0 HA ARG A 94 6.367 -0.646 -5.061 1.00 0.00 H new ATOM 0 HB2 ARG A 94 7.177 -1.944 -6.954 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.921 -0.273 -7.415 1.00 0.00 H new ATOM 0 HG2 ARG A 94 9.185 0.152 -7.676 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.650 -0.926 -6.375 1.00 0.00 H new ATOM 0 HD2 ARG A 94 10.344 -2.060 -8.326 1.00 0.00 H new ATOM 0 HD3 ARG A 94 8.852 -2.857 -7.872 1.00 0.00 H new ATOM 0 HE ARG A 94 7.908 -2.197 -9.859 1.00 0.00 H new ATOM 0 HH11 ARG A 94 10.667 -0.002 -9.312 1.00 0.00 H new ATOM 0 HH12 ARG A 94 10.466 0.765 -10.891 1.00 0.00 H new ATOM 0 HH21 ARG A 94 7.701 -1.218 -11.813 1.00 0.00 H new ATOM 0 HH22 ARG A 94 8.798 0.080 -12.297 1.00 0.00 H new ATOM 1448 N ILE A 95 7.718 -2.751 -4.418 1.00 0.00 N ATOM 1449 CA ILE A 95 8.486 -3.891 -3.948 1.00 0.00 C ATOM 1450 C ILE A 95 8.267 -4.972 -5.011 1.00 0.00 C ATOM 1451 O ILE A 95 7.130 -5.103 -5.475 1.00 0.00 O ATOM 1452 CB ILE A 95 7.951 -4.386 -2.575 1.00 0.00 C ATOM 1453 CG1 ILE A 95 7.497 -3.277 -1.597 1.00 0.00 C ATOM 1454 CG2 ILE A 95 9.026 -5.246 -1.896 1.00 0.00 C ATOM 1455 CD1 ILE A 95 6.019 -2.886 -1.732 1.00 0.00 C ATOM 0 H ILE A 95 6.792 -3.008 -4.761 1.00 0.00 H new ATOM 0 HA ILE A 95 9.538 -3.643 -3.809 1.00 0.00 H new ATOM 0 HB ILE A 95 7.051 -4.956 -2.804 1.00 0.00 H new ATOM 0 HG12 ILE A 95 7.681 -3.611 -0.576 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.112 -2.392 -1.759 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.657 -5.596 -0.932 1.00 0.00 H new ATOM 0 HG22 ILE A 95 9.260 -6.103 -2.528 1.00 0.00 H new ATOM 0 HG23 ILE A 95 9.926 -4.651 -1.745 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.782 -2.103 -1.011 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.830 -2.519 -2.741 1.00 0.00 H new ATOM 0 HD13 ILE A 95 5.393 -3.757 -1.540 1.00 0.00 H new ATOM 1467 N PRO A 96 9.265 -5.799 -5.359 1.00 0.00 N ATOM 1468 CA PRO A 96 9.022 -7.009 -6.135 1.00 0.00 C ATOM 1469 C PRO A 96 8.222 -8.002 -5.291 1.00 0.00 C ATOM 1470 O PRO A 96 8.202 -7.910 -4.061 1.00 0.00 O ATOM 1471 CB PRO A 96 10.405 -7.552 -6.501 1.00 0.00 C ATOM 1472 CG PRO A 96 11.269 -7.048 -5.349 1.00 0.00 C ATOM 1473 CD PRO A 96 10.679 -5.677 -5.039 1.00 0.00 C ATOM 0 HA PRO A 96 8.438 -6.823 -7.036 1.00 0.00 H new ATOM 0 HB2 PRO A 96 10.410 -8.640 -6.567 1.00 0.00 H new ATOM 0 HB3 PRO A 96 10.749 -7.173 -7.463 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.216 -7.713 -4.487 1.00 0.00 H new ATOM 0 HG3 PRO A 96 12.319 -6.979 -5.634 1.00 0.00 H new ATOM 0 HD2 PRO A 96 10.826 -5.411 -3.992 1.00 0.00 H new ATOM 0 HD3 PRO A 96 11.154 -4.898 -5.636 1.00 0.00 H new ATOM 1481 N TRP A 97 7.572 -8.971 -5.933 1.00 0.00 N ATOM 1482 CA TRP A 97 6.871 -9.998 -5.163 1.00 0.00 C ATOM 1483 C TRP A 97 7.809 -11.006 -4.492 1.00 0.00 C ATOM 1484 O TRP A 97 7.419 -11.644 -3.518 1.00 0.00 O ATOM 1485 CB TRP A 97 5.853 -10.722 -6.027 1.00 0.00 C ATOM 1486 CG TRP A 97 4.769 -9.863 -6.581 1.00 0.00 C ATOM 1487 CD1 TRP A 97 4.426 -9.735 -7.882 1.00 0.00 C ATOM 1488 CD2 TRP A 97 3.778 -9.123 -5.826 1.00 0.00 C ATOM 1489 NE1 TRP A 97 3.341 -8.884 -7.993 1.00 0.00 N ATOM 1490 CE2 TRP A 97 2.871 -8.528 -6.746 1.00 0.00 C ATOM 1491 CE3 TRP A 97 3.490 -9.012 -4.451 1.00 0.00 C ATOM 1492 CZ2 TRP A 97 1.747 -7.821 -6.311 1.00 0.00 C ATOM 1493 CZ3 TRP A 97 2.332 -8.359 -4.004 1.00 0.00 C ATOM 1494 CH2 TRP A 97 1.475 -7.746 -4.934 1.00 0.00 C ATOM 0 H TRP A 97 7.515 -9.067 -6.947 1.00 0.00 H new ATOM 0 HA TRP A 97 6.356 -9.470 -4.360 1.00 0.00 H new ATOM 0 HB2 TRP A 97 6.377 -11.199 -6.856 1.00 0.00 H new ATOM 0 HB3 TRP A 97 5.399 -11.518 -5.437 1.00 0.00 H new ATOM 0 HD1 TRP A 97 4.923 -10.222 -8.708 1.00 0.00 H new ATOM 0 HE1 TRP A 97 2.943 -8.564 -8.876 1.00 0.00 H new ATOM 0 HE3 TRP A 97 4.172 -9.437 -3.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 1.095 -7.338 -7.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 2.100 -8.327 -2.950 1.00 0.00 H new ATOM 0 HH2 TRP A 97 0.601 -7.214 -4.588 1.00 0.00 H new ATOM 1505 N ASN A 98 9.030 -11.175 -5.002 1.00 0.00 N ATOM 1506 CA ASN A 98 10.059 -12.008 -4.382 1.00 0.00 C ATOM 1507 C ASN A 98 10.490 -11.413 -3.030 1.00 0.00 C ATOM 1508 O ASN A 98 10.266 -12.009 -1.972 1.00 0.00 O ATOM 1509 CB ASN A 98 11.245 -12.177 -5.348 1.00 0.00 C ATOM 1510 CG ASN A 98 12.529 -12.582 -4.623 1.00 0.00 C ATOM 1511 OD1 ASN A 98 12.563 -13.533 -3.846 1.00 0.00 O ATOM 1512 ND2 ASN A 98 13.595 -11.843 -4.864 1.00 0.00 N ATOM 0 H ASN A 98 9.335 -10.731 -5.868 1.00 0.00 H new ATOM 0 HA ASN A 98 9.653 -12.999 -4.179 1.00 0.00 H new ATOM 0 HB2 ASN A 98 10.998 -12.932 -6.095 1.00 0.00 H new ATOM 0 HB3 ASN A 98 11.412 -11.242 -5.883 1.00 0.00 H new ATOM 0 HD21 ASN A 98 14.478 -12.055 -4.400 1.00 0.00 H new ATOM 0 HD22 ASN A 98 13.536 -11.060 -5.514 1.00 0.00 H new ATOM 1519 N ASP A 99 11.148 -10.259 -3.093 1.00 0.00 N ATOM 1520 CA ASP A 99 11.932 -9.668 -2.008 1.00 0.00 C ATOM 1521 C ASP A 99 11.026 -9.050 -0.925 1.00 0.00 C ATOM 1522 O ASP A 99 9.812 -8.939 -1.139 1.00 0.00 O ATOM 1523 CB ASP A 99 12.922 -8.660 -2.630 1.00 0.00 C ATOM 1524 CG ASP A 99 14.383 -8.867 -2.239 1.00 0.00 C ATOM 1525 OD1 ASP A 99 14.783 -9.987 -1.852 1.00 0.00 O ATOM 1526 OD2 ASP A 99 15.143 -7.890 -2.412 1.00 0.00 O ATOM 0 H ASP A 99 11.151 -9.685 -3.936 1.00 0.00 H new ATOM 0 HA ASP A 99 12.502 -10.436 -1.486 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.840 -8.716 -3.716 1.00 0.00 H new ATOM 0 HB3 ASP A 99 12.623 -7.653 -2.339 1.00 0.00 H new ATOM 1531 N PRO A 100 11.537 -8.719 0.277 1.00 0.00 N ATOM 1532 CA PRO A 100 10.682 -8.335 1.390 1.00 0.00 C ATOM 1533 C PRO A 100 10.075 -6.949 1.216 1.00 0.00 C ATOM 1534 O PRO A 100 10.703 -6.005 0.739 1.00 0.00 O ATOM 1535 CB PRO A 100 11.546 -8.389 2.646 1.00 0.00 C ATOM 1536 CG PRO A 100 12.948 -8.145 2.112 1.00 0.00 C ATOM 1537 CD PRO A 100 12.928 -8.739 0.703 1.00 0.00 C ATOM 0 HA PRO A 100 9.836 -9.019 1.452 1.00 0.00 H new ATOM 0 HB2 PRO A 100 11.253 -7.629 3.370 1.00 0.00 H new ATOM 0 HB3 PRO A 100 11.468 -9.354 3.148 1.00 0.00 H new ATOM 0 HG2 PRO A 100 13.186 -7.081 2.091 1.00 0.00 H new ATOM 0 HG3 PRO A 100 13.700 -8.628 2.736 1.00 0.00 H new ATOM 0 HD2 PRO A 100 13.552 -8.156 0.025 1.00 0.00 H new ATOM 0 HD3 PRO A 100 13.321 -9.756 0.703 1.00 0.00 H new ATOM 1545 N VAL A 101 8.849 -6.823 1.708 1.00 0.00 N ATOM 1546 CA VAL A 101 8.187 -5.546 1.893 1.00 0.00 C ATOM 1547 C VAL A 101 8.804 -4.918 3.140 1.00 0.00 C ATOM 1548 O VAL A 101 8.846 -5.542 4.208 1.00 0.00 O ATOM 1549 CB VAL A 101 6.664 -5.761 1.992 1.00 0.00 C ATOM 1550 CG1 VAL A 101 5.899 -4.452 2.234 1.00 0.00 C ATOM 1551 CG2 VAL A 101 6.105 -6.422 0.722 1.00 0.00 C ATOM 0 H VAL A 101 8.281 -7.621 1.993 1.00 0.00 H new ATOM 0 HA VAL A 101 8.329 -4.867 1.052 1.00 0.00 H new ATOM 0 HB VAL A 101 6.516 -6.418 2.849 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.831 -4.661 2.296 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.235 -4.001 3.168 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.087 -3.763 1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.029 -6.559 0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.308 -5.785 -0.139 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.581 -7.392 0.577 1.00 0.00 H new ATOM 1561 N HIS A 102 9.292 -3.688 3.008 1.00 0.00 N ATOM 1562 CA HIS A 102 9.690 -2.827 4.108 1.00 0.00 C ATOM 1563 C HIS A 102 8.402 -2.207 4.662 1.00 0.00 C ATOM 1564 O HIS A 102 8.087 -1.042 4.399 1.00 0.00 O ATOM 1565 CB HIS A 102 10.740 -1.802 3.621 1.00 0.00 C ATOM 1566 CG HIS A 102 12.009 -1.828 4.431 1.00 0.00 C ATOM 1567 ND1 HIS A 102 12.258 -1.179 5.622 1.00 0.00 N ATOM 1568 CD2 HIS A 102 13.142 -2.517 4.092 1.00 0.00 C ATOM 1569 CE1 HIS A 102 13.503 -1.489 6.005 1.00 0.00 C ATOM 1570 NE2 HIS A 102 14.082 -2.310 5.109 1.00 0.00 N ATOM 0 H HIS A 102 9.425 -3.251 2.096 1.00 0.00 H new ATOM 0 HA HIS A 102 10.184 -3.366 4.916 1.00 0.00 H new ATOM 0 HB2 HIS A 102 10.978 -2.003 2.577 1.00 0.00 H new ATOM 0 HB3 HIS A 102 10.309 -0.802 3.663 1.00 0.00 H new ATOM 0 HD2 HIS A 102 13.285 -3.112 3.202 1.00 0.00 H new ATOM 0 HE1 HIS A 102 13.977 -1.130 6.907 1.00 0.00 H new ATOM 0 HE2 HIS A 102 15.021 -2.704 5.161 1.00 0.00 H new ATOM 1578 N TYR A 103 7.628 -2.997 5.421 1.00 0.00 N ATOM 1579 CA TYR A 103 6.396 -2.543 6.054 1.00 0.00 C ATOM 1580 C TYR A 103 6.696 -1.342 6.945 1.00 0.00 C ATOM 1581 O TYR A 103 5.877 -0.440 7.058 1.00 0.00 O ATOM 1582 CB TYR A 103 5.768 -3.659 6.904 1.00 0.00 C ATOM 1583 CG TYR A 103 5.126 -4.813 6.146 1.00 0.00 C ATOM 1584 CD1 TYR A 103 5.906 -5.897 5.703 1.00 0.00 C ATOM 1585 CD2 TYR A 103 3.734 -4.846 5.933 1.00 0.00 C ATOM 1586 CE1 TYR A 103 5.310 -6.974 5.023 1.00 0.00 C ATOM 1587 CE2 TYR A 103 3.134 -5.905 5.236 1.00 0.00 C ATOM 1588 CZ TYR A 103 3.924 -6.967 4.751 1.00 0.00 C ATOM 1589 OH TYR A 103 3.345 -7.975 4.041 1.00 0.00 O ATOM 0 H TYR A 103 7.847 -3.975 5.610 1.00 0.00 H new ATOM 0 HA TYR A 103 5.691 -2.264 5.271 1.00 0.00 H new ATOM 0 HB2 TYR A 103 6.541 -4.067 7.555 1.00 0.00 H new ATOM 0 HB3 TYR A 103 5.011 -3.212 7.549 1.00 0.00 H new ATOM 0 HD1 TYR A 103 6.970 -5.902 5.887 1.00 0.00 H new ATOM 0 HD2 TYR A 103 3.119 -4.043 6.312 1.00 0.00 H new ATOM 0 HE1 TYR A 103 5.915 -7.811 4.707 1.00 0.00 H new ATOM 0 HE2 TYR A 103 2.067 -5.907 5.071 1.00 0.00 H new ATOM 0 HH TYR A 103 2.372 -7.937 4.153 1.00 0.00 H new ATOM 1599 N GLU A 104 7.882 -1.296 7.552 1.00 0.00 N ATOM 1600 CA GLU A 104 8.332 -0.166 8.346 1.00 0.00 C ATOM 1601 C GLU A 104 8.402 1.116 7.523 1.00 0.00 C ATOM 1602 O GLU A 104 7.894 2.144 7.953 1.00 0.00 O ATOM 1603 CB GLU A 104 9.705 -0.507 8.911 1.00 0.00 C ATOM 1604 CG GLU A 104 10.185 0.525 9.946 1.00 0.00 C ATOM 1605 CD GLU A 104 10.164 -0.135 11.320 1.00 0.00 C ATOM 1606 OE1 GLU A 104 10.983 -1.059 11.548 1.00 0.00 O ATOM 1607 OE2 GLU A 104 9.150 0.099 12.029 1.00 0.00 O ATOM 0 H GLU A 104 8.562 -2.055 7.502 1.00 0.00 H new ATOM 0 HA GLU A 104 7.617 0.015 9.149 1.00 0.00 H new ATOM 0 HB2 GLU A 104 9.670 -1.493 9.374 1.00 0.00 H new ATOM 0 HB3 GLU A 104 10.427 -0.563 8.096 1.00 0.00 H new ATOM 0 HG2 GLU A 104 11.191 0.867 9.704 1.00 0.00 H new ATOM 0 HG3 GLU A 104 9.539 1.403 9.936 1.00 0.00 H new ATOM 1614 N LEU A 105 9.018 1.077 6.345 1.00 0.00 N ATOM 1615 CA LEU A 105 9.325 2.295 5.608 1.00 0.00 C ATOM 1616 C LEU A 105 8.039 2.914 5.094 1.00 0.00 C ATOM 1617 O LEU A 105 7.807 4.117 5.175 1.00 0.00 O ATOM 1618 CB LEU A 105 10.282 1.936 4.471 1.00 0.00 C ATOM 1619 CG LEU A 105 11.345 3.014 4.240 1.00 0.00 C ATOM 1620 CD1 LEU A 105 12.524 2.332 3.542 1.00 0.00 C ATOM 1621 CD2 LEU A 105 10.768 4.171 3.423 1.00 0.00 C ATOM 0 H LEU A 105 9.313 0.217 5.883 1.00 0.00 H new ATOM 0 HA LEU A 105 9.806 3.033 6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 105 10.772 0.989 4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 105 9.713 1.789 3.553 1.00 0.00 H new ATOM 0 HG LEU A 105 11.682 3.454 5.179 1.00 0.00 H new ATOM 0 HD11 LEU A 105 13.310 3.064 3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.912 1.536 4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 105 12.191 1.909 2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 105 11.538 4.927 3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 105 10.426 3.799 2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 105 9.928 4.612 3.960 1.00 0.00 H new ATOM 1633 N LEU A 106 7.172 2.046 4.589 1.00 0.00 N ATOM 1634 CA LEU A 106 5.861 2.426 4.119 1.00 0.00 C ATOM 1635 C LEU A 106 4.951 2.810 5.296 1.00 0.00 C ATOM 1636 O LEU A 106 4.162 3.739 5.134 1.00 0.00 O ATOM 1637 CB LEU A 106 5.399 1.376 3.109 1.00 0.00 C ATOM 1638 CG LEU A 106 4.603 0.201 3.666 1.00 0.00 C ATOM 1639 CD1 LEU A 106 3.136 0.587 3.607 1.00 0.00 C ATOM 1640 CD2 LEU A 106 4.895 -1.068 2.863 1.00 0.00 C ATOM 0 H LEU A 106 7.368 1.049 4.496 1.00 0.00 H new ATOM 0 HA LEU A 106 5.843 3.354 3.548 1.00 0.00 H new ATOM 0 HB2 LEU A 106 4.790 1.873 2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 106 6.279 0.982 2.600 1.00 0.00 H new ATOM 0 HG LEU A 106 4.884 -0.016 4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.529 -0.230 3.998 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.971 1.482 4.207 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.854 0.786 2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.320 -1.898 3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.615 -0.912 1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.958 -1.300 2.922 1.00 0.00 H new ATOM 1652 N LYS A 107 5.122 2.220 6.493 1.00 0.00 N ATOM 1653 CA LYS A 107 4.522 2.697 7.743 1.00 0.00 C ATOM 1654 C LYS A 107 4.957 4.136 8.036 1.00 0.00 C ATOM 1655 O LYS A 107 4.100 4.967 8.321 1.00 0.00 O ATOM 1656 CB LYS A 107 4.824 1.745 8.927 1.00 0.00 C ATOM 1657 CG LYS A 107 4.468 2.401 10.271 1.00 0.00 C ATOM 1658 CD LYS A 107 4.361 1.441 11.459 1.00 0.00 C ATOM 1659 CE LYS A 107 5.667 0.716 11.811 1.00 0.00 C ATOM 1660 NZ LYS A 107 6.789 1.627 12.156 1.00 0.00 N ATOM 0 H LYS A 107 5.692 1.383 6.616 1.00 0.00 H new ATOM 0 HA LYS A 107 3.439 2.697 7.617 1.00 0.00 H new ATOM 0 HB2 LYS A 107 4.257 0.821 8.808 1.00 0.00 H new ATOM 0 HB3 LYS A 107 5.880 1.474 8.920 1.00 0.00 H new ATOM 0 HG2 LYS A 107 5.222 3.154 10.500 1.00 0.00 H new ATOM 0 HG3 LYS A 107 3.518 2.924 10.161 1.00 0.00 H new ATOM 0 HD2 LYS A 107 4.024 2.000 12.332 1.00 0.00 H new ATOM 0 HD3 LYS A 107 3.595 0.697 11.241 1.00 0.00 H new ATOM 0 HE2 LYS A 107 5.484 0.047 12.652 1.00 0.00 H new ATOM 0 HE3 LYS A 107 5.964 0.094 10.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 7.663 1.075 12.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 6.914 2.327 11.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 6.576 2.118 13.048 1.00 0.00 H new ATOM 1674 N GLN A 108 6.263 4.426 8.010 1.00 0.00 N ATOM 1675 CA GLN A 108 6.816 5.723 8.394 1.00 0.00 C ATOM 1676 C GLN A 108 6.091 6.842 7.641 1.00 0.00 C ATOM 1677 O GLN A 108 5.630 7.800 8.259 1.00 0.00 O ATOM 1678 CB GLN A 108 8.340 5.763 8.143 1.00 0.00 C ATOM 1679 CG GLN A 108 9.184 4.882 9.091 1.00 0.00 C ATOM 1680 CD GLN A 108 10.484 4.363 8.452 1.00 0.00 C ATOM 1681 OE1 GLN A 108 10.821 3.187 8.538 1.00 0.00 O ATOM 1682 NE2 GLN A 108 11.255 5.193 7.776 1.00 0.00 N ATOM 0 H GLN A 108 6.973 3.754 7.717 1.00 0.00 H new ATOM 0 HA GLN A 108 6.659 5.875 9.462 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.532 5.452 7.116 1.00 0.00 H new ATOM 0 HB3 GLN A 108 8.680 6.795 8.232 1.00 0.00 H new ATOM 0 HG2 GLN A 108 9.431 5.456 9.984 1.00 0.00 H new ATOM 0 HG3 GLN A 108 8.583 4.032 9.415 1.00 0.00 H new ATOM 0 HE21 GLN A 108 10.995 6.176 7.691 1.00 0.00 H new ATOM 0 HE22 GLN A 108 12.111 4.852 7.338 1.00 0.00 H new ATOM 1691 N MET A 109 5.964 6.702 6.319 1.00 0.00 N ATOM 1692 CA MET A 109 5.309 7.712 5.501 1.00 0.00 C ATOM 1693 C MET A 109 3.798 7.792 5.747 1.00 0.00 C ATOM 1694 O MET A 109 3.291 8.902 5.905 1.00 0.00 O ATOM 1695 CB MET A 109 5.678 7.548 4.022 1.00 0.00 C ATOM 1696 CG MET A 109 5.352 6.173 3.426 1.00 0.00 C ATOM 1697 SD MET A 109 6.072 5.885 1.790 1.00 0.00 S ATOM 1698 CE MET A 109 7.805 5.611 2.264 1.00 0.00 C ATOM 0 H MET A 109 6.308 5.896 5.797 1.00 0.00 H new ATOM 0 HA MET A 109 5.692 8.683 5.815 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.156 8.311 3.445 1.00 0.00 H new ATOM 0 HB3 MET A 109 6.746 7.735 3.906 1.00 0.00 H new ATOM 0 HG2 MET A 109 5.707 5.400 4.108 1.00 0.00 H new ATOM 0 HG3 MET A 109 4.269 6.066 3.358 1.00 0.00 H new ATOM 0 HE1 MET A 109 8.457 6.183 1.604 1.00 0.00 H new ATOM 0 HE2 MET A 109 7.956 5.935 3.294 1.00 0.00 H new ATOM 0 HE3 MET A 109 8.042 4.551 2.179 1.00 0.00 H new ATOM 1708 N ILE A 110 3.054 6.678 5.771 1.00 0.00 N ATOM 1709 CA ILE A 110 1.595 6.757 5.917 1.00 0.00 C ATOM 1710 C ILE A 110 1.238 7.440 7.247 1.00 0.00 C ATOM 1711 O ILE A 110 0.432 8.368 7.245 1.00 0.00 O ATOM 1712 CB ILE A 110 0.936 5.379 5.652 1.00 0.00 C ATOM 1713 CG1 ILE A 110 -0.596 5.400 5.478 1.00 0.00 C ATOM 1714 CG2 ILE A 110 1.321 4.281 6.646 1.00 0.00 C ATOM 1715 CD1 ILE A 110 -1.411 5.642 6.751 1.00 0.00 C ATOM 0 H ILE A 110 3.428 5.732 5.693 1.00 0.00 H new ATOM 0 HA ILE A 110 1.162 7.399 5.150 1.00 0.00 H new ATOM 0 HB ILE A 110 1.369 5.126 4.684 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -0.849 6.175 4.755 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -0.906 4.448 5.047 1.00 0.00 H new ATOM 0 HG21 ILE A 110 0.812 3.355 6.380 1.00 0.00 H new ATOM 0 HG22 ILE A 110 2.399 4.124 6.615 1.00 0.00 H new ATOM 0 HG23 ILE A 110 1.027 4.581 7.652 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -2.474 5.636 6.509 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -1.199 4.854 7.474 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.141 6.608 7.178 1.00 0.00 H new ATOM 1727 N GLU A 111 1.892 7.057 8.348 1.00 0.00 N ATOM 1728 CA GLU A 111 1.669 7.627 9.677 1.00 0.00 C ATOM 1729 C GLU A 111 1.900 9.136 9.670 1.00 0.00 C ATOM 1730 O GLU A 111 1.059 9.891 10.160 1.00 0.00 O ATOM 1731 CB GLU A 111 2.612 6.949 10.684 1.00 0.00 C ATOM 1732 CG GLU A 111 2.216 5.509 11.005 1.00 0.00 C ATOM 1733 CD GLU A 111 1.159 5.409 12.107 1.00 0.00 C ATOM 1734 OE1 GLU A 111 0.156 6.150 12.074 1.00 0.00 O ATOM 1735 OE2 GLU A 111 1.367 4.602 13.046 1.00 0.00 O ATOM 0 H GLU A 111 2.605 6.328 8.338 1.00 0.00 H new ATOM 0 HA GLU A 111 0.634 7.449 9.968 1.00 0.00 H new ATOM 0 HB2 GLU A 111 3.627 6.960 10.286 1.00 0.00 H new ATOM 0 HB3 GLU A 111 2.626 7.529 11.607 1.00 0.00 H new ATOM 0 HG2 GLU A 111 1.836 5.033 10.101 1.00 0.00 H new ATOM 0 HG3 GLU A 111 3.103 4.954 11.309 1.00 0.00 H new ATOM 1742 N PHE A 112 3.012 9.596 9.087 1.00 0.00 N ATOM 1743 CA PHE A 112 3.273 11.025 8.989 1.00 0.00 C ATOM 1744 C PHE A 112 2.176 11.723 8.186 1.00 0.00 C ATOM 1745 O PHE A 112 1.662 12.749 8.621 1.00 0.00 O ATOM 1746 CB PHE A 112 4.641 11.288 8.364 1.00 0.00 C ATOM 1747 CG PHE A 112 4.962 12.767 8.227 1.00 0.00 C ATOM 1748 CD1 PHE A 112 4.862 13.610 9.348 1.00 0.00 C ATOM 1749 CD2 PHE A 112 5.301 13.322 6.975 1.00 0.00 C ATOM 1750 CE1 PHE A 112 5.084 14.990 9.217 1.00 0.00 C ATOM 1751 CE2 PHE A 112 5.539 14.701 6.851 1.00 0.00 C ATOM 1752 CZ PHE A 112 5.429 15.538 7.971 1.00 0.00 C ATOM 0 H PHE A 112 3.735 9.002 8.682 1.00 0.00 H new ATOM 0 HA PHE A 112 3.274 11.435 9.999 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.409 10.811 8.973 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.679 10.822 7.379 1.00 0.00 H new ATOM 0 HD1 PHE A 112 4.613 13.194 10.313 1.00 0.00 H new ATOM 0 HD2 PHE A 112 5.378 12.683 6.107 1.00 0.00 H new ATOM 0 HE1 PHE A 112 4.989 15.634 10.079 1.00 0.00 H new ATOM 0 HE2 PHE A 112 5.807 15.117 5.891 1.00 0.00 H new ATOM 0 HZ PHE A 112 5.609 16.599 7.876 1.00 0.00 H new ATOM 1762 N ASN A 113 1.786 11.168 7.036 1.00 0.00 N ATOM 1763 CA ASN A 113 0.789 11.797 6.177 1.00 0.00 C ATOM 1764 C ASN A 113 -0.589 11.894 6.844 1.00 0.00 C ATOM 1765 O ASN A 113 -1.401 12.712 6.408 1.00 0.00 O ATOM 1766 CB ASN A 113 0.669 11.058 4.834 1.00 0.00 C ATOM 1767 CG ASN A 113 1.540 11.642 3.739 1.00 0.00 C ATOM 1768 OD1 ASN A 113 2.439 10.974 3.235 1.00 0.00 O ATOM 1769 ND2 ASN A 113 1.284 12.876 3.351 1.00 0.00 N ATOM 0 H ASN A 113 2.148 10.283 6.681 1.00 0.00 H new ATOM 0 HA ASN A 113 1.140 12.813 5.997 1.00 0.00 H new ATOM 0 HB2 ASN A 113 0.936 10.011 4.980 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -0.371 11.079 4.509 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.840 13.304 2.611 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.530 13.403 3.791 1.00 0.00 H new ATOM 1776 N ILE A 114 -0.879 11.082 7.864 1.00 0.00 N ATOM 1777 CA ILE A 114 -2.060 11.248 8.701 1.00 0.00 C ATOM 1778 C ILE A 114 -1.857 12.485 9.580 1.00 0.00 C ATOM 1779 O ILE A 114 -2.698 13.385 9.543 1.00 0.00 O ATOM 1780 CB ILE A 114 -2.328 9.972 9.533 1.00 0.00 C ATOM 1781 CG1 ILE A 114 -2.726 8.797 8.607 1.00 0.00 C ATOM 1782 CG2 ILE A 114 -3.457 10.161 10.569 1.00 0.00 C ATOM 1783 CD1 ILE A 114 -2.757 7.405 9.265 1.00 0.00 C ATOM 0 H ILE A 114 -0.296 10.289 8.130 1.00 0.00 H new ATOM 0 HA ILE A 114 -2.945 11.399 8.083 1.00 0.00 H new ATOM 0 HB ILE A 114 -1.400 9.757 10.063 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -3.713 9.004 8.193 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -2.029 8.767 7.770 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -3.601 9.234 11.123 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -3.186 10.959 11.261 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -4.382 10.424 10.055 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -3.048 6.659 8.525 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.767 7.164 9.654 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -3.478 7.405 10.083 1.00 0.00 H new ATOM 1795 N GLN A 115 -0.776 12.547 10.375 1.00 0.00 N ATOM 1796 CA GLN A 115 -0.606 13.643 11.345 1.00 0.00 C ATOM 1797 C GLN A 115 -0.370 14.997 10.662 1.00 0.00 C ATOM 1798 O GLN A 115 -0.495 16.046 11.289 1.00 0.00 O ATOM 1799 CB GLN A 115 0.488 13.335 12.386 1.00 0.00 C ATOM 1800 CG GLN A 115 1.861 13.043 11.779 1.00 0.00 C ATOM 1801 CD GLN A 115 2.995 13.087 12.799 1.00 0.00 C ATOM 1802 OE1 GLN A 115 3.781 14.036 12.838 1.00 0.00 O ATOM 1803 NE2 GLN A 115 3.135 12.078 13.642 1.00 0.00 N ATOM 0 H GLN A 115 -0.018 11.864 10.367 1.00 0.00 H new ATOM 0 HA GLN A 115 -1.550 13.721 11.885 1.00 0.00 H new ATOM 0 HB2 GLN A 115 0.576 14.182 13.067 1.00 0.00 H new ATOM 0 HB3 GLN A 115 0.176 12.478 12.982 1.00 0.00 H new ATOM 0 HG2 GLN A 115 1.841 12.059 11.311 1.00 0.00 H new ATOM 0 HG3 GLN A 115 2.063 13.768 10.990 1.00 0.00 H new ATOM 0 HE21 GLN A 115 2.485 11.293 13.610 1.00 0.00 H new ATOM 0 HE22 GLN A 115 3.893 12.085 14.324 1.00 0.00 H new ATOM 1812 N ASP A 116 -0.041 14.977 9.374 1.00 0.00 N ATOM 1813 CA ASP A 116 0.167 16.173 8.550 1.00 0.00 C ATOM 1814 C ASP A 116 -1.152 16.871 8.172 1.00 0.00 C ATOM 1815 O ASP A 116 -1.165 17.996 7.667 1.00 0.00 O ATOM 1816 CB ASP A 116 0.943 15.763 7.296 1.00 0.00 C ATOM 1817 CG ASP A 116 1.430 16.953 6.472 1.00 0.00 C ATOM 1818 OD1 ASP A 116 1.975 17.922 7.048 1.00 0.00 O ATOM 1819 OD2 ASP A 116 1.328 16.860 5.223 1.00 0.00 O ATOM 0 H ASP A 116 0.093 14.108 8.857 1.00 0.00 H new ATOM 0 HA ASP A 116 0.735 16.900 9.131 1.00 0.00 H new ATOM 0 HB2 ASP A 116 1.801 15.158 7.589 1.00 0.00 H new ATOM 0 HB3 ASP A 116 0.307 15.134 6.673 1.00 0.00 H new ATOM 1824 N LYS A 117 -2.286 16.212 8.435 1.00 0.00 N ATOM 1825 CA LYS A 117 -3.647 16.625 8.070 1.00 0.00 C ATOM 1826 C LYS A 117 -4.484 16.924 9.321 1.00 0.00 C ATOM 1827 O LYS A 117 -5.717 16.822 9.295 1.00 0.00 O ATOM 1828 CB LYS A 117 -4.274 15.532 7.190 1.00 0.00 C ATOM 1829 CG LYS A 117 -3.554 15.395 5.843 1.00 0.00 C ATOM 1830 CD LYS A 117 -3.918 16.503 4.837 1.00 0.00 C ATOM 1831 CE LYS A 117 -4.671 15.893 3.650 1.00 0.00 C ATOM 1832 NZ LYS A 117 -4.907 16.855 2.555 1.00 0.00 N ATOM 0 H LYS A 117 -2.279 15.324 8.938 1.00 0.00 H new ATOM 0 HA LYS A 117 -3.616 17.553 7.499 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -4.241 14.579 7.717 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -5.325 15.764 7.017 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -2.477 15.408 6.012 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -3.796 14.426 5.407 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -4.535 17.260 5.322 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -3.014 17.003 4.489 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -4.104 15.046 3.265 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -5.629 15.504 3.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -5.419 16.383 1.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -5.473 17.652 2.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -3.995 17.208 2.200 1.00 0.00 H new ATOM 1846 N GLU A 118 -3.825 17.204 10.440 1.00 0.00 N ATOM 1847 CA GLU A 118 -4.470 17.619 11.681 1.00 0.00 C ATOM 1848 C GLU A 118 -5.200 18.942 11.468 1.00 0.00 C ATOM 1849 O GLU A 118 -6.396 19.019 11.815 1.00 0.00 O ATOM 1850 CB GLU A 118 -3.433 17.671 12.824 1.00 0.00 C ATOM 1851 CG GLU A 118 -3.836 16.699 13.943 1.00 0.00 C ATOM 1852 CD GLU A 118 -2.699 16.341 14.904 1.00 0.00 C ATOM 1853 OE1 GLU A 118 -2.129 17.228 15.587 1.00 0.00 O ATOM 1854 OE2 GLU A 118 -2.386 15.135 15.025 1.00 0.00 O ATOM 0 H GLU A 118 -2.809 17.148 10.512 1.00 0.00 H new ATOM 0 HA GLU A 118 -5.223 16.889 11.977 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -2.446 17.410 12.443 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -3.365 18.685 13.219 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -4.654 17.139 14.514 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -4.218 15.783 13.493 1.00 0.00 H new TER 1861 GLU A 118