USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 501 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 NoAdj-H: A 32 HIS HD1 : A 32 HIS ND1 : A 998 ZNZN :(H bumps) USER MOD NoAdj-H: A 61 HIS HD1 : A 61 HIS ND1 : A 999 ZNZN :(H bumps) USER MOD Set 1.1: A 26 SER OG : rot 82:sc= 0.367 USER MOD Set 1.2: A 27 ASN :FLIP amide:sc= -1.2 F(o=-5.1,f=-1.7) USER MOD Set 1.3: A 31 TYR OH : rot 65:sc= -0.89 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN :FLIP amide:sc= -0.381 F(o=-1.2,f=-0.38) USER MOD Single : A 7 SER OG : rot 68:sc= 0.321 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -171:sc=0.000291 (180deg=-0.074) USER MOD Single : A 22 LYS NZ :NH3+ -158:sc= -0.141 (180deg=-0.597) USER MOD Single : A 25 ASN : amide:sc= 0.645 K(o=0.65,f=-0.29) USER MOD Single : A 34 GLN : amide:sc= -0.0955 K(o=-0.095,f=-2.5!) USER MOD Single : A 40 GLN : amide:sc= -0.523 K(o=-0.52,f=-1.4!) USER MOD Single : A 43 GLN :FLIP amide:sc= 0.46 F(o=-0.062,f=0.46) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 163:sc= -1.59! (180deg=-2.28!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0.163 X(o=0.16,f=0) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot 67:sc= 0.671 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.082 -21.583 -22.509 1.00 0.00 N ATOM 2 CA MET A 1 3.577 -21.367 -21.122 1.00 0.00 C ATOM 3 C MET A 1 3.363 -19.870 -20.885 1.00 0.00 C ATOM 4 O MET A 1 2.280 -19.437 -20.543 1.00 0.00 O ATOM 5 CB MET A 1 4.601 -21.907 -20.117 1.00 0.00 C ATOM 6 CG MET A 1 3.921 -22.136 -18.764 1.00 0.00 C ATOM 7 SD MET A 1 2.889 -23.622 -18.849 1.00 0.00 S ATOM 8 CE MET A 1 1.337 -22.857 -18.318 1.00 0.00 C ATOM 0 H1 MET A 1 4.228 -22.600 -22.671 1.00 0.00 H new ATOM 0 H2 MET A 1 3.387 -21.220 -23.192 1.00 0.00 H new ATOM 0 H3 MET A 1 4.984 -21.080 -22.632 1.00 0.00 H new ATOM 0 HA MET A 1 2.631 -21.892 -20.992 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.028 -22.841 -20.483 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.425 -21.201 -20.007 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.672 -22.246 -17.982 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.311 -21.272 -18.501 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.548 -23.609 -18.299 1.00 0.00 H new ATOM 0 HE2 MET A 1 1.461 -22.436 -17.320 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.065 -22.064 -19.015 1.00 0.00 H new ATOM 18 N ALA A 2 4.391 -19.078 -21.067 1.00 0.00 N ATOM 19 CA ALA A 2 4.264 -17.603 -20.859 1.00 0.00 C ATOM 20 C ALA A 2 3.818 -17.311 -19.420 1.00 0.00 C ATOM 21 O ALA A 2 3.291 -16.255 -19.127 1.00 0.00 O ATOM 22 CB ALA A 2 3.236 -17.032 -21.842 1.00 0.00 C ATOM 0 H ALA A 2 5.318 -19.393 -21.353 1.00 0.00 H new ATOM 0 HA ALA A 2 5.233 -17.135 -21.033 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.145 -15.957 -21.689 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.562 -17.227 -22.864 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.269 -17.506 -21.673 1.00 0.00 H new ATOM 28 N ASN A 3 4.028 -18.239 -18.522 1.00 0.00 N ATOM 29 CA ASN A 3 3.620 -18.019 -17.102 1.00 0.00 C ATOM 30 C ASN A 3 4.853 -17.674 -16.264 1.00 0.00 C ATOM 31 O ASN A 3 4.800 -16.832 -15.387 1.00 0.00 O ATOM 32 CB ASN A 3 2.971 -19.295 -16.557 1.00 0.00 C ATOM 33 CG ASN A 3 2.574 -19.084 -15.093 1.00 0.00 C ATOM 34 OD1 ASN A 3 3.078 -19.861 -14.175 1.00 0.00 O flip ATOM 35 ND2 ASN A 3 1.798 -18.202 -14.783 1.00 0.00 N flip ATOM 0 H ASN A 3 4.465 -19.141 -18.711 1.00 0.00 H new ATOM 0 HA ASN A 3 2.906 -17.197 -17.051 1.00 0.00 H new ATOM 0 HB2 ASN A 3 2.092 -19.550 -17.150 1.00 0.00 H new ATOM 0 HB3 ASN A 3 3.665 -20.132 -16.639 1.00 0.00 H new ATOM 0 HD21 ASN A 3 1.404 -17.594 -15.501 1.00 0.00 H new ATOM 0 HD22 ASN A 3 1.541 -18.069 -13.805 1.00 0.00 H new ATOM 42 N ALA A 4 5.960 -18.323 -16.526 1.00 0.00 N ATOM 43 CA ALA A 4 7.206 -18.044 -15.747 1.00 0.00 C ATOM 44 C ALA A 4 6.931 -18.240 -14.252 1.00 0.00 C ATOM 45 O ALA A 4 7.518 -17.584 -13.412 1.00 0.00 O ATOM 46 CB ALA A 4 7.664 -16.605 -16.008 1.00 0.00 C ATOM 0 H ALA A 4 6.055 -19.037 -17.249 1.00 0.00 H new ATOM 0 HA ALA A 4 7.992 -18.732 -16.060 1.00 0.00 H new ATOM 0 HB1 ALA A 4 8.572 -16.403 -15.440 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.865 -16.474 -17.071 1.00 0.00 H new ATOM 0 HB3 ALA A 4 6.881 -15.912 -15.699 1.00 0.00 H new ATOM 52 N LEU A 5 6.040 -19.141 -13.918 1.00 0.00 N ATOM 53 CA LEU A 5 5.713 -19.392 -12.482 1.00 0.00 C ATOM 54 C LEU A 5 5.221 -18.093 -11.832 1.00 0.00 C ATOM 55 O LEU A 5 5.853 -17.552 -10.945 1.00 0.00 O ATOM 56 CB LEU A 5 6.962 -19.903 -11.751 1.00 0.00 C ATOM 57 CG LEU A 5 6.552 -20.567 -10.432 1.00 0.00 C ATOM 58 CD1 LEU A 5 6.233 -22.045 -10.675 1.00 0.00 C ATOM 59 CD2 LEU A 5 7.700 -20.453 -9.424 1.00 0.00 C ATOM 0 H LEU A 5 5.523 -19.716 -14.583 1.00 0.00 H new ATOM 0 HA LEU A 5 4.927 -20.145 -12.415 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.496 -20.617 -12.378 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.645 -19.076 -11.556 1.00 0.00 H new ATOM 0 HG LEU A 5 5.668 -20.067 -10.037 1.00 0.00 H new ATOM 0 HD11 LEU A 5 5.942 -22.514 -9.735 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.415 -22.128 -11.390 1.00 0.00 H new ATOM 0 HD13 LEU A 5 7.115 -22.547 -11.073 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.409 -20.925 -8.486 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.584 -20.951 -9.822 1.00 0.00 H new ATOM 0 HD23 LEU A 5 7.925 -19.401 -9.246 1.00 0.00 H new ATOM 71 N ALA A 6 4.094 -17.594 -12.268 1.00 0.00 N ATOM 72 CA ALA A 6 3.552 -16.333 -11.680 1.00 0.00 C ATOM 73 C ALA A 6 3.248 -16.556 -10.195 1.00 0.00 C ATOM 74 O ALA A 6 2.213 -17.083 -9.835 1.00 0.00 O ATOM 75 CB ALA A 6 2.268 -15.937 -12.415 1.00 0.00 C ATOM 0 H ALA A 6 3.525 -18.006 -13.007 1.00 0.00 H new ATOM 0 HA ALA A 6 4.287 -15.535 -11.784 1.00 0.00 H new ATOM 0 HB1 ALA A 6 1.872 -15.017 -11.986 1.00 0.00 H new ATOM 0 HB2 ALA A 6 2.487 -15.780 -13.471 1.00 0.00 H new ATOM 0 HB3 ALA A 6 1.530 -16.732 -12.312 1.00 0.00 H new ATOM 81 N SER A 7 4.151 -16.166 -9.334 1.00 0.00 N ATOM 82 CA SER A 7 3.934 -16.356 -7.869 1.00 0.00 C ATOM 83 C SER A 7 3.831 -14.989 -7.185 1.00 0.00 C ATOM 84 O SER A 7 4.328 -14.791 -6.093 1.00 0.00 O ATOM 85 CB SER A 7 5.110 -17.139 -7.283 1.00 0.00 C ATOM 86 OG SER A 7 5.334 -18.305 -8.066 1.00 0.00 O ATOM 0 H SER A 7 5.034 -15.722 -9.584 1.00 0.00 H new ATOM 0 HA SER A 7 3.010 -16.910 -7.704 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.005 -16.518 -7.270 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.899 -17.415 -6.250 1.00 0.00 H new ATOM 0 HG SER A 7 5.655 -18.045 -8.955 1.00 0.00 H new ATOM 92 N ALA A 8 3.186 -14.046 -7.821 1.00 0.00 N ATOM 93 CA ALA A 8 3.045 -12.689 -7.214 1.00 0.00 C ATOM 94 C ALA A 8 1.807 -12.000 -7.794 1.00 0.00 C ATOM 95 O ALA A 8 1.477 -12.171 -8.953 1.00 0.00 O ATOM 96 CB ALA A 8 4.290 -11.855 -7.529 1.00 0.00 C ATOM 0 H ALA A 8 2.750 -14.157 -8.736 1.00 0.00 H new ATOM 0 HA ALA A 8 2.937 -12.783 -6.133 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.186 -10.865 -7.086 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.171 -12.347 -7.117 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.400 -11.759 -8.609 1.00 0.00 H new ATOM 102 N THR A 9 1.119 -11.224 -6.996 1.00 0.00 N ATOM 103 CA THR A 9 -0.101 -10.522 -7.495 1.00 0.00 C ATOM 104 C THR A 9 0.076 -9.009 -7.347 1.00 0.00 C ATOM 105 O THR A 9 0.936 -8.541 -6.626 1.00 0.00 O ATOM 106 CB THR A 9 -1.323 -10.975 -6.687 1.00 0.00 C ATOM 107 OG1 THR A 9 -1.177 -10.558 -5.337 1.00 0.00 O ATOM 108 CG2 THR A 9 -1.444 -12.500 -6.742 1.00 0.00 C ATOM 0 H THR A 9 1.350 -11.046 -6.019 1.00 0.00 H new ATOM 0 HA THR A 9 -0.250 -10.767 -8.547 1.00 0.00 H new ATOM 0 HB THR A 9 -2.222 -10.529 -7.112 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.958 -10.845 -4.820 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.314 -12.817 -6.166 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.559 -12.819 -7.778 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.546 -12.952 -6.321 1.00 0.00 H new ATOM 116 N CYS A 10 -0.734 -8.245 -8.033 1.00 0.00 N ATOM 117 CA CYS A 10 -0.626 -6.756 -7.957 1.00 0.00 C ATOM 118 C CYS A 10 -0.927 -6.275 -6.538 1.00 0.00 C ATOM 119 O CYS A 10 -1.759 -6.818 -5.841 1.00 0.00 O ATOM 120 CB CYS A 10 -1.607 -6.140 -8.951 1.00 0.00 C ATOM 121 SG CYS A 10 -1.249 -4.381 -9.170 1.00 0.00 S ATOM 0 H CYS A 10 -1.471 -8.591 -8.647 1.00 0.00 H new ATOM 0 HA CYS A 10 0.388 -6.447 -8.209 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.537 -6.655 -9.909 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.628 -6.269 -8.593 1.00 0.00 H new ATOM 126 N GLU A 11 -0.227 -5.261 -6.111 1.00 0.00 N ATOM 127 CA GLU A 11 -0.417 -4.719 -4.736 1.00 0.00 C ATOM 128 C GLU A 11 -1.611 -3.754 -4.705 1.00 0.00 C ATOM 129 O GLU A 11 -1.777 -2.977 -3.785 1.00 0.00 O ATOM 130 CB GLU A 11 0.865 -3.977 -4.349 1.00 0.00 C ATOM 131 CG GLU A 11 0.787 -3.480 -2.898 1.00 0.00 C ATOM 132 CD GLU A 11 0.249 -4.594 -1.992 1.00 0.00 C ATOM 133 OE1 GLU A 11 1.017 -5.482 -1.660 1.00 0.00 O ATOM 134 OE2 GLU A 11 -0.920 -4.541 -1.647 1.00 0.00 O ATOM 0 H GLU A 11 0.480 -4.778 -6.665 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.619 -5.528 -4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.724 -4.638 -4.467 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.019 -3.132 -5.020 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.774 -3.168 -2.558 1.00 0.00 H new ATOM 0 HG3 GLU A 11 0.138 -2.606 -2.838 1.00 0.00 H new ATOM 141 N ARG A 12 -2.442 -3.795 -5.706 1.00 0.00 N ATOM 142 CA ARG A 12 -3.619 -2.879 -5.746 1.00 0.00 C ATOM 143 C ARG A 12 -4.795 -3.622 -6.368 1.00 0.00 C ATOM 144 O ARG A 12 -5.898 -3.608 -5.857 1.00 0.00 O ATOM 145 CB ARG A 12 -3.285 -1.640 -6.594 1.00 0.00 C ATOM 146 CG ARG A 12 -2.086 -1.937 -7.507 1.00 0.00 C ATOM 147 CD ARG A 12 -1.370 -0.641 -7.884 1.00 0.00 C ATOM 148 NE ARG A 12 0.065 -0.724 -7.457 1.00 0.00 N ATOM 149 CZ ARG A 12 0.402 -1.017 -6.226 1.00 0.00 C ATOM 150 NH1 ARG A 12 -0.508 -1.150 -5.303 1.00 0.00 N ATOM 151 NH2 ARG A 12 1.660 -1.154 -5.914 1.00 0.00 N ATOM 0 H ARG A 12 -2.358 -4.426 -6.503 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.873 -2.558 -4.736 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.149 -1.357 -7.195 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.058 -0.795 -5.944 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.393 -2.609 -7.001 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.425 -2.448 -8.408 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.432 -0.478 -8.960 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.855 0.209 -7.404 1.00 0.00 H new ATOM 0 HE ARG A 12 0.798 -0.548 -8.144 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.493 -1.026 -5.536 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.235 -1.378 -4.347 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.379 -1.033 -6.628 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.926 -1.382 -4.956 1.00 0.00 H new ATOM 165 N CYS A 13 -4.555 -4.281 -7.467 1.00 0.00 N ATOM 166 CA CYS A 13 -5.636 -5.048 -8.141 1.00 0.00 C ATOM 167 C CYS A 13 -5.494 -6.529 -7.778 1.00 0.00 C ATOM 168 O CYS A 13 -6.377 -7.327 -8.025 1.00 0.00 O ATOM 169 CB CYS A 13 -5.504 -4.868 -9.655 1.00 0.00 C ATOM 170 SG CYS A 13 -4.507 -6.213 -10.337 1.00 0.00 S ATOM 0 H CYS A 13 -3.647 -4.320 -7.930 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.613 -4.688 -7.819 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -6.490 -4.861 -10.119 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -5.040 -3.907 -9.879 1.00 0.00 H new ATOM 175 N LYS A 14 -4.377 -6.893 -7.191 1.00 0.00 N ATOM 176 CA LYS A 14 -4.145 -8.315 -6.799 1.00 0.00 C ATOM 177 C LYS A 14 -4.286 -9.213 -8.029 1.00 0.00 C ATOM 178 O LYS A 14 -4.902 -10.261 -7.982 1.00 0.00 O ATOM 179 CB LYS A 14 -5.151 -8.729 -5.716 1.00 0.00 C ATOM 180 CG LYS A 14 -4.693 -8.185 -4.357 1.00 0.00 C ATOM 181 CD LYS A 14 -5.178 -6.740 -4.185 1.00 0.00 C ATOM 182 CE LYS A 14 -4.048 -5.874 -3.620 1.00 0.00 C ATOM 183 NZ LYS A 14 -3.669 -6.365 -2.264 1.00 0.00 N ATOM 0 H LYS A 14 -3.612 -6.257 -6.966 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.138 -8.422 -6.396 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.141 -8.344 -5.959 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.232 -9.815 -5.676 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.087 -8.808 -3.554 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.606 -8.224 -4.287 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.508 -6.342 -5.144 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.038 -6.713 -3.516 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.184 -5.907 -4.284 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.367 -4.833 -3.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -3.014 -5.690 -1.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.522 -6.456 -1.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.206 -7.293 -2.347 1.00 0.00 H new ATOM 197 N GLY A 15 -3.704 -8.812 -9.128 1.00 0.00 N ATOM 198 CA GLY A 15 -3.784 -9.638 -10.366 1.00 0.00 C ATOM 199 C GLY A 15 -2.497 -10.449 -10.499 1.00 0.00 C ATOM 200 O GLY A 15 -1.415 -9.897 -10.574 1.00 0.00 O ATOM 0 H GLY A 15 -3.175 -7.945 -9.221 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.646 -10.303 -10.321 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.919 -8.999 -11.238 1.00 0.00 H new ATOM 204 N GLY A 16 -2.604 -11.751 -10.520 1.00 0.00 N ATOM 205 CA GLY A 16 -1.386 -12.606 -10.642 1.00 0.00 C ATOM 206 C GLY A 16 -0.613 -12.224 -11.905 1.00 0.00 C ATOM 207 O GLY A 16 -0.935 -12.660 -12.993 1.00 0.00 O ATOM 0 H GLY A 16 -3.485 -12.261 -10.458 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.752 -12.480 -9.764 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.670 -13.657 -10.682 1.00 0.00 H new ATOM 211 N PHE A 17 0.407 -11.417 -11.765 1.00 0.00 N ATOM 212 CA PHE A 17 1.207 -11.009 -12.958 1.00 0.00 C ATOM 213 C PHE A 17 2.567 -11.715 -12.933 1.00 0.00 C ATOM 214 O PHE A 17 2.810 -12.582 -12.114 1.00 0.00 O ATOM 215 CB PHE A 17 1.402 -9.480 -12.983 1.00 0.00 C ATOM 216 CG PHE A 17 1.663 -8.909 -11.596 1.00 0.00 C ATOM 217 CD1 PHE A 17 2.212 -9.703 -10.577 1.00 0.00 C ATOM 218 CD2 PHE A 17 1.371 -7.559 -11.339 1.00 0.00 C ATOM 219 CE1 PHE A 17 2.461 -9.151 -9.317 1.00 0.00 C ATOM 220 CE2 PHE A 17 1.627 -7.012 -10.083 1.00 0.00 C ATOM 221 CZ PHE A 17 2.171 -7.806 -9.072 1.00 0.00 C ATOM 0 H PHE A 17 0.720 -11.024 -10.878 1.00 0.00 H new ATOM 0 HA PHE A 17 0.668 -11.300 -13.859 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.237 -9.233 -13.638 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.515 -9.009 -13.406 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.442 -10.741 -10.766 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.947 -6.943 -12.118 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.878 -9.765 -8.532 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.404 -5.973 -9.892 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.368 -7.380 -8.099 1.00 0.00 H new ATOM 231 N ALA A 18 3.450 -11.356 -13.828 1.00 0.00 N ATOM 232 CA ALA A 18 4.791 -12.011 -13.862 1.00 0.00 C ATOM 233 C ALA A 18 5.681 -11.341 -14.923 1.00 0.00 C ATOM 234 O ALA A 18 6.776 -10.912 -14.612 1.00 0.00 O ATOM 235 CB ALA A 18 4.634 -13.503 -14.186 1.00 0.00 C ATOM 0 H ALA A 18 3.300 -10.638 -14.537 1.00 0.00 H new ATOM 0 HA ALA A 18 5.261 -11.902 -12.885 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.616 -13.976 -14.209 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.020 -13.979 -13.421 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.154 -13.616 -15.158 1.00 0.00 H new ATOM 241 N PRO A 19 5.196 -11.268 -16.149 1.00 0.00 N ATOM 242 CA PRO A 19 5.959 -10.651 -17.254 1.00 0.00 C ATOM 243 C PRO A 19 6.327 -9.203 -16.906 1.00 0.00 C ATOM 244 O PRO A 19 5.581 -8.503 -16.251 1.00 0.00 O ATOM 245 CB PRO A 19 5.016 -10.706 -18.463 1.00 0.00 C ATOM 246 CG PRO A 19 3.737 -11.465 -18.031 1.00 0.00 C ATOM 247 CD PRO A 19 3.867 -11.785 -16.534 1.00 0.00 C ATOM 0 HA PRO A 19 6.898 -11.168 -17.451 1.00 0.00 H new ATOM 0 HB2 PRO A 19 4.768 -9.700 -18.800 1.00 0.00 H new ATOM 0 HB3 PRO A 19 5.497 -11.213 -19.300 1.00 0.00 H new ATOM 0 HG2 PRO A 19 2.851 -10.858 -18.217 1.00 0.00 H new ATOM 0 HG3 PRO A 19 3.622 -12.382 -18.610 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.075 -11.307 -15.958 1.00 0.00 H new ATOM 0 HD3 PRO A 19 3.792 -12.857 -16.351 1.00 0.00 H new ATOM 255 N ALA A 20 7.483 -8.762 -17.334 1.00 0.00 N ATOM 256 CA ALA A 20 7.936 -7.369 -17.027 1.00 0.00 C ATOM 257 C ALA A 20 6.896 -6.339 -17.491 1.00 0.00 C ATOM 258 O ALA A 20 6.794 -5.265 -16.931 1.00 0.00 O ATOM 259 CB ALA A 20 9.261 -7.103 -17.742 1.00 0.00 C ATOM 0 H ALA A 20 8.139 -9.312 -17.888 1.00 0.00 H new ATOM 0 HA ALA A 20 8.061 -7.274 -15.948 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.596 -6.089 -17.522 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.010 -7.816 -17.397 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.123 -7.214 -18.817 1.00 0.00 H new ATOM 265 N GLU A 21 6.130 -6.650 -18.501 1.00 0.00 N ATOM 266 CA GLU A 21 5.107 -5.677 -18.984 1.00 0.00 C ATOM 267 C GLU A 21 3.978 -5.594 -17.960 1.00 0.00 C ATOM 268 O GLU A 21 3.367 -4.560 -17.781 1.00 0.00 O ATOM 269 CB GLU A 21 4.549 -6.129 -20.340 1.00 0.00 C ATOM 270 CG GLU A 21 4.193 -7.620 -20.295 1.00 0.00 C ATOM 271 CD GLU A 21 5.303 -8.436 -20.966 1.00 0.00 C ATOM 272 OE1 GLU A 21 6.348 -8.596 -20.356 1.00 0.00 O ATOM 273 OE2 GLU A 21 5.088 -8.888 -22.080 1.00 0.00 O ATOM 0 H GLU A 21 6.167 -7.532 -19.012 1.00 0.00 H new ATOM 0 HA GLU A 21 5.566 -4.696 -19.106 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.664 -5.544 -20.591 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.285 -5.947 -21.123 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.065 -7.942 -19.262 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.244 -7.793 -20.802 1.00 0.00 H new ATOM 280 N LYS A 22 3.706 -6.676 -17.281 1.00 0.00 N ATOM 281 CA LYS A 22 2.625 -6.667 -16.260 1.00 0.00 C ATOM 282 C LYS A 22 3.241 -6.511 -14.867 1.00 0.00 C ATOM 283 O LYS A 22 2.570 -6.157 -13.918 1.00 0.00 O ATOM 284 CB LYS A 22 1.840 -7.981 -16.331 1.00 0.00 C ATOM 285 CG LYS A 22 0.881 -7.942 -17.526 1.00 0.00 C ATOM 286 CD LYS A 22 -0.337 -8.829 -17.242 1.00 0.00 C ATOM 287 CE LYS A 22 0.012 -10.293 -17.522 1.00 0.00 C ATOM 288 NZ LYS A 22 0.185 -10.492 -18.989 1.00 0.00 N ATOM 0 H LYS A 22 4.189 -7.568 -17.392 1.00 0.00 H new ATOM 0 HA LYS A 22 1.950 -5.833 -16.454 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.527 -8.822 -16.430 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.281 -8.133 -15.408 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.561 -6.917 -17.714 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.392 -8.286 -18.425 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.650 -8.712 -16.204 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.177 -8.520 -17.865 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.927 -10.566 -16.997 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.777 -10.944 -17.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.050 -11.497 -19.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.517 -9.921 -19.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.142 -10.197 -19.269 1.00 0.00 H new ATOM 302 N ILE A 23 4.517 -6.774 -14.741 1.00 0.00 N ATOM 303 CA ILE A 23 5.189 -6.644 -13.416 1.00 0.00 C ATOM 304 C ILE A 23 6.019 -5.359 -13.397 1.00 0.00 C ATOM 305 O ILE A 23 7.032 -5.249 -14.062 1.00 0.00 O ATOM 306 CB ILE A 23 6.093 -7.868 -13.178 1.00 0.00 C ATOM 307 CG1 ILE A 23 5.299 -8.954 -12.438 1.00 0.00 C ATOM 308 CG2 ILE A 23 7.323 -7.477 -12.346 1.00 0.00 C ATOM 309 CD1 ILE A 23 5.044 -8.527 -10.988 1.00 0.00 C ATOM 0 H ILE A 23 5.124 -7.075 -15.504 1.00 0.00 H new ATOM 0 HA ILE A 23 4.443 -6.598 -12.623 1.00 0.00 H new ATOM 0 HB ILE A 23 6.429 -8.248 -14.143 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.350 -9.131 -12.945 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.850 -9.894 -12.456 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.950 -8.355 -12.188 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.894 -6.714 -12.876 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.000 -7.084 -11.382 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.480 -9.305 -10.473 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.997 -8.374 -10.481 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.474 -7.598 -10.977 1.00 0.00 H new ATOM 321 N VAL A 24 5.597 -4.392 -12.631 1.00 0.00 N ATOM 322 CA VAL A 24 6.352 -3.109 -12.540 1.00 0.00 C ATOM 323 C VAL A 24 6.556 -2.783 -11.064 1.00 0.00 C ATOM 324 O VAL A 24 5.613 -2.516 -10.351 1.00 0.00 O ATOM 325 CB VAL A 24 5.552 -1.980 -13.202 1.00 0.00 C ATOM 326 CG1 VAL A 24 6.495 -0.828 -13.562 1.00 0.00 C ATOM 327 CG2 VAL A 24 4.874 -2.500 -14.475 1.00 0.00 C ATOM 0 H VAL A 24 4.754 -4.435 -12.059 1.00 0.00 H new ATOM 0 HA VAL A 24 7.311 -3.205 -13.050 1.00 0.00 H new ATOM 0 HB VAL A 24 4.790 -1.626 -12.507 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.926 -0.026 -14.032 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.972 -0.452 -12.657 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.258 -1.185 -14.253 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.307 -1.694 -14.941 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.633 -2.859 -15.170 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.199 -3.317 -14.220 1.00 0.00 H new ATOM 337 N ASN A 25 7.773 -2.811 -10.595 1.00 0.00 N ATOM 338 CA ASN A 25 8.018 -2.508 -9.157 1.00 0.00 C ATOM 339 C ASN A 25 8.502 -1.067 -9.014 1.00 0.00 C ATOM 340 O ASN A 25 9.164 -0.532 -9.883 1.00 0.00 O ATOM 341 CB ASN A 25 9.068 -3.474 -8.597 1.00 0.00 C ATOM 342 CG ASN A 25 9.799 -2.828 -7.415 1.00 0.00 C ATOM 343 OD1 ASN A 25 10.967 -2.511 -7.508 1.00 0.00 O ATOM 344 ND2 ASN A 25 9.153 -2.619 -6.300 1.00 0.00 N ATOM 0 H ASN A 25 8.605 -3.030 -11.143 1.00 0.00 H new ATOM 0 HA ASN A 25 7.091 -2.630 -8.597 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.589 -4.399 -8.277 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.783 -3.739 -9.376 1.00 0.00 H new ATOM 0 HD21 ASN A 25 9.630 -2.189 -5.507 1.00 0.00 H new ATOM 0 HD22 ASN A 25 8.171 -2.885 -6.222 1.00 0.00 H new ATOM 351 N SER A 26 8.174 -0.440 -7.920 1.00 0.00 N ATOM 352 CA SER A 26 8.605 0.965 -7.700 1.00 0.00 C ATOM 353 C SER A 26 8.710 1.219 -6.193 1.00 0.00 C ATOM 354 O SER A 26 7.806 0.907 -5.440 1.00 0.00 O ATOM 355 CB SER A 26 7.579 1.910 -8.334 1.00 0.00 C ATOM 356 OG SER A 26 6.574 2.237 -7.385 1.00 0.00 O ATOM 0 H SER A 26 7.622 -0.845 -7.164 1.00 0.00 H new ATOM 0 HA SER A 26 9.577 1.143 -8.160 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.073 2.817 -8.681 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.128 1.439 -9.207 1.00 0.00 H new ATOM 0 HG SER A 26 6.892 2.963 -6.808 1.00 0.00 H new ATOM 362 N ASN A 27 9.814 1.773 -5.752 1.00 0.00 N ATOM 363 CA ASN A 27 10.006 2.046 -4.292 1.00 0.00 C ATOM 364 C ASN A 27 10.124 0.722 -3.534 1.00 0.00 C ATOM 365 O ASN A 27 11.172 0.373 -3.026 1.00 0.00 O ATOM 366 CB ASN A 27 8.821 2.850 -3.741 1.00 0.00 C ATOM 367 CG ASN A 27 8.296 3.807 -4.811 1.00 0.00 C ATOM 368 OD1 ASN A 27 7.055 3.715 -5.195 1.00 0.00 O flip ATOM 369 ND2 ASN A 27 9.022 4.649 -5.301 1.00 0.00 N flip ATOM 0 H ASN A 27 10.596 2.050 -6.345 1.00 0.00 H new ATOM 0 HA ASN A 27 10.919 2.626 -4.159 1.00 0.00 H new ATOM 0 HB2 ASN A 27 8.027 2.173 -3.426 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.130 3.411 -2.859 1.00 0.00 H new ATOM 0 HD21 ASN A 27 9.994 4.722 -5.001 1.00 0.00 H new ATOM 0 HD22 ASN A 27 8.659 5.283 -6.013 1.00 0.00 H new ATOM 376 N GLY A 28 9.052 -0.014 -3.459 1.00 0.00 N ATOM 377 CA GLY A 28 9.071 -1.322 -2.742 1.00 0.00 C ATOM 378 C GLY A 28 7.699 -1.988 -2.879 1.00 0.00 C ATOM 379 O GLY A 28 7.220 -2.635 -1.968 1.00 0.00 O ATOM 0 H GLY A 28 8.152 0.236 -3.868 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.845 -1.967 -3.157 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.312 -1.171 -1.690 1.00 0.00 H new ATOM 383 N GLU A 29 7.066 -1.823 -4.012 1.00 0.00 N ATOM 384 CA GLU A 29 5.719 -2.433 -4.226 1.00 0.00 C ATOM 385 C GLU A 29 5.611 -2.925 -5.671 1.00 0.00 C ATOM 386 O GLU A 29 6.455 -2.634 -6.494 1.00 0.00 O ATOM 387 CB GLU A 29 4.646 -1.370 -3.973 1.00 0.00 C ATOM 388 CG GLU A 29 4.011 -1.579 -2.597 1.00 0.00 C ATOM 389 CD GLU A 29 2.868 -0.578 -2.407 1.00 0.00 C ATOM 390 OE1 GLU A 29 1.908 -0.652 -3.159 1.00 0.00 O ATOM 391 OE2 GLU A 29 2.974 0.251 -1.517 1.00 0.00 O ATOM 0 H GLU A 29 7.426 -1.289 -4.803 1.00 0.00 H new ATOM 0 HA GLU A 29 5.579 -3.271 -3.543 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.088 -0.375 -4.030 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.880 -1.424 -4.747 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.635 -2.598 -2.509 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.759 -1.447 -1.815 1.00 0.00 H new ATOM 398 N LEU A 30 4.573 -3.658 -5.991 1.00 0.00 N ATOM 399 CA LEU A 30 4.406 -4.155 -7.388 1.00 0.00 C ATOM 400 C LEU A 30 3.184 -3.484 -8.007 1.00 0.00 C ATOM 401 O LEU A 30 2.117 -3.461 -7.424 1.00 0.00 O ATOM 402 CB LEU A 30 4.191 -5.672 -7.380 1.00 0.00 C ATOM 403 CG LEU A 30 5.530 -6.408 -7.501 1.00 0.00 C ATOM 404 CD1 LEU A 30 6.198 -6.059 -8.835 1.00 0.00 C ATOM 405 CD2 LEU A 30 6.452 -6.007 -6.344 1.00 0.00 C ATOM 0 H LEU A 30 3.835 -3.933 -5.343 1.00 0.00 H new ATOM 0 HA LEU A 30 5.300 -3.921 -7.965 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.689 -5.969 -6.459 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.538 -5.956 -8.205 1.00 0.00 H new ATOM 0 HG LEU A 30 5.348 -7.482 -7.460 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.149 -6.585 -8.914 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.548 -6.359 -9.657 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.373 -4.984 -8.884 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.402 -6.534 -6.436 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.629 -4.932 -6.375 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.982 -6.270 -5.396 1.00 0.00 H new ATOM 417 N TYR A 31 3.332 -2.940 -9.182 1.00 0.00 N ATOM 418 CA TYR A 31 2.182 -2.269 -9.845 1.00 0.00 C ATOM 419 C TYR A 31 2.047 -2.792 -11.271 1.00 0.00 C ATOM 420 O TYR A 31 3.024 -2.994 -11.964 1.00 0.00 O ATOM 421 CB TYR A 31 2.410 -0.746 -9.930 1.00 0.00 C ATOM 422 CG TYR A 31 3.004 -0.172 -8.654 1.00 0.00 C ATOM 423 CD1 TYR A 31 4.266 -0.586 -8.202 1.00 0.00 C ATOM 424 CD2 TYR A 31 2.297 0.805 -7.939 1.00 0.00 C ATOM 425 CE1 TYR A 31 4.812 -0.030 -7.040 1.00 0.00 C ATOM 426 CE2 TYR A 31 2.842 1.358 -6.775 1.00 0.00 C ATOM 427 CZ TYR A 31 4.099 0.941 -6.325 1.00 0.00 C ATOM 428 OH TYR A 31 4.639 1.492 -5.181 1.00 0.00 O ATOM 0 H TYR A 31 4.203 -2.932 -9.713 1.00 0.00 H new ATOM 0 HA TYR A 31 1.287 -2.477 -9.259 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.075 -0.528 -10.766 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.462 -0.251 -10.139 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.817 -1.335 -8.752 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.329 1.132 -8.288 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.784 -0.350 -6.694 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.292 2.107 -6.224 1.00 0.00 H new ATOM 0 HH TYR A 31 5.448 1.995 -5.411 1.00 0.00 H new ATOM 438 N HIS A 32 0.840 -2.967 -11.727 1.00 0.00 N ATOM 439 CA HIS A 32 0.635 -3.423 -13.132 1.00 0.00 C ATOM 440 C HIS A 32 0.969 -2.248 -14.034 1.00 0.00 C ATOM 441 O HIS A 32 1.186 -1.148 -13.566 1.00 0.00 O ATOM 442 CB HIS A 32 -0.830 -3.787 -13.368 1.00 0.00 C ATOM 443 CG HIS A 32 -1.031 -5.269 -13.287 1.00 0.00 C ATOM 444 ND1 HIS A 32 -1.809 -5.830 -12.302 1.00 0.00 N ATOM 445 CD2 HIS A 32 -0.598 -6.308 -14.070 1.00 0.00 C ATOM 446 CE1 HIS A 32 -1.830 -7.158 -12.504 1.00 0.00 C ATOM 447 NE2 HIS A 32 -1.108 -7.504 -13.573 1.00 0.00 N ATOM 0 H HIS A 32 -0.014 -2.815 -11.190 1.00 0.00 H new ATOM 0 HA HIS A 32 1.258 -4.295 -13.333 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -1.456 -3.290 -12.627 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -1.146 -3.426 -14.347 1.00 0.00 H new ATOM 0 HD2 HIS A 32 0.039 -6.213 -14.937 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -2.364 -7.859 -11.880 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -0.962 -8.442 -13.945 1.00 0.00 H new ATOM 455 N GLU A 33 0.982 -2.441 -15.317 1.00 0.00 N ATOM 456 CA GLU A 33 1.275 -1.294 -16.210 1.00 0.00 C ATOM 457 C GLU A 33 0.032 -0.399 -16.279 1.00 0.00 C ATOM 458 O GLU A 33 -0.005 0.580 -16.999 1.00 0.00 O ATOM 459 CB GLU A 33 1.648 -1.796 -17.609 1.00 0.00 C ATOM 460 CG GLU A 33 0.526 -2.687 -18.158 1.00 0.00 C ATOM 461 CD GLU A 33 1.020 -3.432 -19.401 1.00 0.00 C ATOM 462 OE1 GLU A 33 1.348 -2.772 -20.374 1.00 0.00 O ATOM 463 OE2 GLU A 33 1.060 -4.651 -19.360 1.00 0.00 O ATOM 0 H GLU A 33 0.805 -3.331 -15.782 1.00 0.00 H new ATOM 0 HA GLU A 33 2.118 -0.724 -15.818 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.813 -0.950 -18.277 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.582 -2.356 -17.567 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.209 -3.400 -17.397 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.344 -2.080 -18.408 1.00 0.00 H new ATOM 470 N GLN A 34 -0.980 -0.733 -15.520 1.00 0.00 N ATOM 471 CA GLN A 34 -2.224 0.084 -15.511 1.00 0.00 C ATOM 472 C GLN A 34 -2.943 -0.121 -14.174 1.00 0.00 C ATOM 473 O GLN A 34 -4.137 -0.346 -14.122 1.00 0.00 O ATOM 474 CB GLN A 34 -3.132 -0.346 -16.670 1.00 0.00 C ATOM 475 CG GLN A 34 -4.178 0.742 -16.938 1.00 0.00 C ATOM 476 CD GLN A 34 -4.790 0.533 -18.325 1.00 0.00 C ATOM 477 OE1 GLN A 34 -4.243 0.971 -19.317 1.00 0.00 O ATOM 478 NE2 GLN A 34 -5.913 -0.124 -18.437 1.00 0.00 N ATOM 0 H GLN A 34 -0.995 -1.544 -14.902 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.977 1.139 -15.633 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.536 -0.520 -17.566 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -3.626 -1.287 -16.428 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.957 0.708 -16.176 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.716 1.728 -16.877 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.373 -0.492 -17.605 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.330 -0.269 -19.357 1.00 0.00 H new ATOM 487 N CYS A 35 -2.215 -0.033 -13.091 1.00 0.00 N ATOM 488 CA CYS A 35 -2.835 -0.208 -11.744 1.00 0.00 C ATOM 489 C CYS A 35 -2.338 0.903 -10.821 1.00 0.00 C ATOM 490 O CYS A 35 -2.903 1.139 -9.775 1.00 0.00 O ATOM 491 CB CYS A 35 -2.442 -1.565 -11.152 1.00 0.00 C ATOM 492 SG CYS A 35 -3.482 -2.874 -11.850 1.00 0.00 S ATOM 0 H CYS A 35 -1.212 0.154 -13.082 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.920 -0.163 -11.840 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.393 -1.772 -11.363 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.551 -1.543 -10.068 1.00 0.00 H new ATOM 497 N PHE A 36 -1.285 1.583 -11.207 1.00 0.00 N ATOM 498 CA PHE A 36 -0.735 2.692 -10.364 1.00 0.00 C ATOM 499 C PHE A 36 -1.897 3.533 -9.817 1.00 0.00 C ATOM 500 O PHE A 36 -2.394 4.419 -10.486 1.00 0.00 O ATOM 501 CB PHE A 36 0.174 3.567 -11.231 1.00 0.00 C ATOM 502 CG PHE A 36 1.493 2.865 -11.445 1.00 0.00 C ATOM 503 CD1 PHE A 36 1.564 1.744 -12.277 1.00 0.00 C ATOM 504 CD2 PHE A 36 2.643 3.334 -10.808 1.00 0.00 C ATOM 505 CE1 PHE A 36 2.788 1.094 -12.472 1.00 0.00 C ATOM 506 CE2 PHE A 36 3.867 2.684 -11.002 1.00 0.00 C ATOM 507 CZ PHE A 36 3.939 1.563 -11.834 1.00 0.00 C ATOM 0 H PHE A 36 -0.779 1.416 -12.077 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.163 2.284 -9.531 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.303 3.767 -12.190 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.337 4.531 -10.749 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.674 1.380 -12.769 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.588 4.200 -10.165 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.843 0.229 -13.116 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.756 3.048 -10.509 1.00 0.00 H new ATOM 0 HZ PHE A 36 4.883 1.060 -11.983 1.00 0.00 H new ATOM 517 N VAL A 37 -2.347 3.249 -8.616 1.00 0.00 N ATOM 518 CA VAL A 37 -3.497 4.017 -8.038 1.00 0.00 C ATOM 519 C VAL A 37 -3.026 4.947 -6.922 1.00 0.00 C ATOM 520 O VAL A 37 -1.958 4.791 -6.362 1.00 0.00 O ATOM 521 CB VAL A 37 -4.553 3.061 -7.459 1.00 0.00 C ATOM 522 CG1 VAL A 37 -5.633 2.788 -8.506 1.00 0.00 C ATOM 523 CG2 VAL A 37 -3.914 1.731 -7.047 1.00 0.00 C ATOM 0 H VAL A 37 -1.968 2.520 -8.012 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.932 4.605 -8.846 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.994 3.532 -6.580 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.379 2.110 -8.091 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.112 3.726 -8.788 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.179 2.333 -9.387 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.679 1.070 -6.640 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.456 1.262 -7.918 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.152 1.913 -6.289 1.00 0.00 H new ATOM 533 N CYS A 38 -3.846 5.910 -6.591 1.00 0.00 N ATOM 534 CA CYS A 38 -3.505 6.870 -5.503 1.00 0.00 C ATOM 535 C CYS A 38 -3.976 6.293 -4.164 1.00 0.00 C ATOM 536 O CYS A 38 -5.119 5.912 -4.012 1.00 0.00 O ATOM 537 CB CYS A 38 -4.223 8.195 -5.766 1.00 0.00 C ATOM 538 SG CYS A 38 -3.496 9.513 -4.762 1.00 0.00 S ATOM 0 H CYS A 38 -4.750 6.073 -7.035 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.428 7.036 -5.473 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.151 8.452 -6.823 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.283 8.094 -5.534 1.00 0.00 H new ATOM 543 N ALA A 39 -3.101 6.215 -3.202 1.00 0.00 N ATOM 544 CA ALA A 39 -3.481 5.652 -1.868 1.00 0.00 C ATOM 545 C ALA A 39 -4.741 6.342 -1.323 1.00 0.00 C ATOM 546 O ALA A 39 -5.376 5.844 -0.413 1.00 0.00 O ATOM 547 CB ALA A 39 -2.328 5.862 -0.883 1.00 0.00 C ATOM 0 H ALA A 39 -2.130 6.518 -3.279 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.688 4.588 -1.986 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.601 5.453 0.090 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.437 5.355 -1.252 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.124 6.928 -0.784 1.00 0.00 H new ATOM 553 N GLN A 40 -5.106 7.483 -1.856 1.00 0.00 N ATOM 554 CA GLN A 40 -6.319 8.192 -1.344 1.00 0.00 C ATOM 555 C GLN A 40 -7.435 8.170 -2.398 1.00 0.00 C ATOM 556 O GLN A 40 -8.461 7.549 -2.204 1.00 0.00 O ATOM 557 CB GLN A 40 -5.964 9.643 -1.003 1.00 0.00 C ATOM 558 CG GLN A 40 -4.566 9.699 -0.376 1.00 0.00 C ATOM 559 CD GLN A 40 -4.326 11.080 0.241 1.00 0.00 C ATOM 560 OE1 GLN A 40 -5.235 11.693 0.764 1.00 0.00 O ATOM 561 NE2 GLN A 40 -3.129 11.598 0.203 1.00 0.00 N ATOM 0 H GLN A 40 -4.619 7.952 -2.620 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.670 7.682 -0.447 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -5.994 10.256 -1.904 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -6.700 10.055 -0.312 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.470 8.928 0.388 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.810 9.493 -1.133 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.365 11.084 -0.236 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.958 12.516 0.612 1.00 0.00 H new ATOM 570 N CYS A 41 -7.251 8.844 -3.507 1.00 0.00 N ATOM 571 CA CYS A 41 -8.318 8.857 -4.557 1.00 0.00 C ATOM 572 C CYS A 41 -8.395 7.485 -5.237 1.00 0.00 C ATOM 573 O CYS A 41 -9.332 7.192 -5.954 1.00 0.00 O ATOM 574 CB CYS A 41 -8.015 9.943 -5.597 1.00 0.00 C ATOM 575 SG CYS A 41 -6.656 9.418 -6.674 1.00 0.00 S ATOM 0 H CYS A 41 -6.414 9.383 -3.730 1.00 0.00 H new ATOM 0 HA CYS A 41 -9.278 9.075 -4.088 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.905 10.143 -6.194 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.752 10.874 -5.095 1.00 0.00 H new ATOM 580 N PHE A 42 -7.419 6.644 -5.006 1.00 0.00 N ATOM 581 CA PHE A 42 -7.417 5.279 -5.620 1.00 0.00 C ATOM 582 C PHE A 42 -7.602 5.374 -7.136 1.00 0.00 C ATOM 583 O PHE A 42 -7.983 4.416 -7.781 1.00 0.00 O ATOM 584 CB PHE A 42 -8.545 4.436 -5.016 1.00 0.00 C ATOM 585 CG PHE A 42 -8.323 4.282 -3.530 1.00 0.00 C ATOM 586 CD1 PHE A 42 -7.172 3.637 -3.055 1.00 0.00 C ATOM 587 CD2 PHE A 42 -9.265 4.784 -2.624 1.00 0.00 C ATOM 588 CE1 PHE A 42 -6.966 3.495 -1.679 1.00 0.00 C ATOM 589 CE2 PHE A 42 -9.059 4.641 -1.247 1.00 0.00 C ATOM 590 CZ PHE A 42 -7.909 3.996 -0.774 1.00 0.00 C ATOM 0 H PHE A 42 -6.615 6.846 -4.412 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.458 4.805 -5.412 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.508 4.912 -5.203 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.576 3.456 -5.493 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.444 3.250 -3.752 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.151 5.282 -2.988 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.079 2.999 -1.314 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.787 5.028 -0.549 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.750 3.885 0.288 1.00 0.00 H new ATOM 600 N GLN A 43 -7.325 6.512 -7.713 1.00 0.00 N ATOM 601 CA GLN A 43 -7.473 6.649 -9.188 1.00 0.00 C ATOM 602 C GLN A 43 -6.262 5.997 -9.854 1.00 0.00 C ATOM 603 O GLN A 43 -5.130 6.318 -9.541 1.00 0.00 O ATOM 604 CB GLN A 43 -7.536 8.134 -9.563 1.00 0.00 C ATOM 605 CG GLN A 43 -7.950 8.277 -11.031 1.00 0.00 C ATOM 606 CD GLN A 43 -8.523 9.676 -11.270 1.00 0.00 C ATOM 607 OE1 GLN A 43 -9.582 10.057 -10.609 1.00 0.00 O flip ATOM 608 NE2 GLN A 43 -8.004 10.431 -12.068 1.00 0.00 N flip ATOM 0 H GLN A 43 -7.004 7.350 -7.228 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.390 6.164 -9.522 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -8.249 8.651 -8.922 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -6.565 8.602 -9.401 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -7.090 8.110 -11.680 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -8.693 7.521 -11.285 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -7.176 10.136 -12.586 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -8.396 11.360 -12.220 1.00 0.00 H new ATOM 617 N GLN A 44 -6.487 5.073 -10.757 1.00 0.00 N ATOM 618 CA GLN A 44 -5.345 4.393 -11.428 1.00 0.00 C ATOM 619 C GLN A 44 -4.792 5.286 -12.536 1.00 0.00 C ATOM 620 O GLN A 44 -5.412 6.251 -12.938 1.00 0.00 O ATOM 621 CB GLN A 44 -5.804 3.063 -12.028 1.00 0.00 C ATOM 622 CG GLN A 44 -7.238 3.184 -12.554 1.00 0.00 C ATOM 623 CD GLN A 44 -7.495 2.092 -13.594 1.00 0.00 C ATOM 624 OE1 GLN A 44 -7.600 0.929 -13.258 1.00 0.00 O ATOM 625 NE2 GLN A 44 -7.600 2.418 -14.853 1.00 0.00 N ATOM 0 H GLN A 44 -7.412 4.764 -11.055 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.566 4.203 -10.690 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.136 2.772 -12.838 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -5.751 2.278 -11.273 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.947 3.091 -11.731 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.392 4.167 -12.998 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.512 3.394 -15.136 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.770 1.697 -15.554 1.00 0.00 H new ATOM 634 N PHE A 45 -3.627 4.965 -13.025 1.00 0.00 N ATOM 635 CA PHE A 45 -3.012 5.788 -14.102 1.00 0.00 C ATOM 636 C PHE A 45 -2.082 4.912 -14.956 1.00 0.00 C ATOM 637 O PHE A 45 -1.073 4.437 -14.471 1.00 0.00 O ATOM 638 CB PHE A 45 -2.202 6.921 -13.464 1.00 0.00 C ATOM 639 CG PHE A 45 -3.147 7.983 -12.956 1.00 0.00 C ATOM 640 CD1 PHE A 45 -3.721 8.889 -13.852 1.00 0.00 C ATOM 641 CD2 PHE A 45 -3.452 8.058 -11.592 1.00 0.00 C ATOM 642 CE1 PHE A 45 -4.600 9.873 -13.387 1.00 0.00 C ATOM 643 CE2 PHE A 45 -4.330 9.043 -11.126 1.00 0.00 C ATOM 644 CZ PHE A 45 -4.904 9.951 -12.024 1.00 0.00 C ATOM 0 H PHE A 45 -3.072 4.164 -12.723 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.795 6.204 -14.736 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.596 6.534 -12.644 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.515 7.348 -14.194 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.486 8.829 -14.904 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.010 7.356 -10.900 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.044 10.572 -14.080 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.565 9.103 -10.074 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.581 10.711 -11.664 1.00 0.00 H new ATOM 654 N PRO A 46 -2.446 4.728 -16.208 1.00 0.00 N ATOM 655 CA PRO A 46 -1.647 3.918 -17.150 1.00 0.00 C ATOM 656 C PRO A 46 -0.293 4.589 -17.416 1.00 0.00 C ATOM 657 O PRO A 46 0.471 4.153 -18.257 1.00 0.00 O ATOM 658 CB PRO A 46 -2.483 3.872 -18.435 1.00 0.00 C ATOM 659 CG PRO A 46 -3.732 4.765 -18.219 1.00 0.00 C ATOM 660 CD PRO A 46 -3.678 5.303 -16.781 1.00 0.00 C ATOM 0 HA PRO A 46 -1.435 2.922 -16.761 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.900 4.230 -19.283 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.780 2.848 -18.661 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.743 5.587 -18.935 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.645 4.191 -18.379 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.649 6.393 -16.767 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.557 5.000 -16.212 1.00 0.00 H new ATOM 668 N GLU A 47 0.005 5.648 -16.707 1.00 0.00 N ATOM 669 CA GLU A 47 1.303 6.360 -16.906 1.00 0.00 C ATOM 670 C GLU A 47 2.464 5.367 -16.789 1.00 0.00 C ATOM 671 O GLU A 47 3.520 5.566 -17.357 1.00 0.00 O ATOM 672 CB GLU A 47 1.451 7.445 -15.834 1.00 0.00 C ATOM 673 CG GLU A 47 2.415 8.531 -16.326 1.00 0.00 C ATOM 674 CD GLU A 47 2.927 9.341 -15.131 1.00 0.00 C ATOM 675 OE1 GLU A 47 2.110 9.950 -14.458 1.00 0.00 O ATOM 676 OE2 GLU A 47 4.126 9.340 -14.910 1.00 0.00 O ATOM 0 H GLU A 47 -0.601 6.053 -15.993 1.00 0.00 H new ATOM 0 HA GLU A 47 1.319 6.814 -17.897 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.478 7.883 -15.610 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.824 7.007 -14.908 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.252 8.076 -16.856 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.909 9.188 -17.034 1.00 0.00 H new ATOM 683 N GLY A 48 2.275 4.302 -16.055 1.00 0.00 N ATOM 684 CA GLY A 48 3.366 3.295 -15.897 1.00 0.00 C ATOM 685 C GLY A 48 4.180 3.622 -14.645 1.00 0.00 C ATOM 686 O GLY A 48 4.834 2.766 -14.083 1.00 0.00 O ATOM 0 H GLY A 48 1.411 4.086 -15.557 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.943 2.293 -15.818 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.011 3.300 -16.776 1.00 0.00 H new ATOM 690 N LEU A 49 4.142 4.855 -14.206 1.00 0.00 N ATOM 691 CA LEU A 49 4.907 5.249 -12.986 1.00 0.00 C ATOM 692 C LEU A 49 4.631 6.720 -12.664 1.00 0.00 C ATOM 693 O LEU A 49 5.351 7.604 -13.091 1.00 0.00 O ATOM 694 CB LEU A 49 6.412 5.052 -13.226 1.00 0.00 C ATOM 695 CG LEU A 49 7.141 4.959 -11.879 1.00 0.00 C ATOM 696 CD1 LEU A 49 8.218 3.873 -11.952 1.00 0.00 C ATOM 697 CD2 LEU A 49 7.798 6.305 -11.556 1.00 0.00 C ATOM 0 H LEU A 49 3.611 5.608 -14.643 1.00 0.00 H new ATOM 0 HA LEU A 49 4.593 4.625 -12.149 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.582 4.145 -13.806 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.809 5.883 -13.809 1.00 0.00 H new ATOM 0 HG LEU A 49 6.423 4.708 -11.098 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.735 3.808 -10.995 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.753 2.914 -12.179 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.934 4.123 -12.735 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.315 6.237 -10.599 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.514 6.557 -12.338 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.033 7.079 -11.501 1.00 0.00 H new ATOM 709 N PHE A 50 3.599 6.993 -11.906 1.00 0.00 N ATOM 710 CA PHE A 50 3.291 8.408 -11.553 1.00 0.00 C ATOM 711 C PHE A 50 4.084 8.793 -10.296 1.00 0.00 C ATOM 712 O PHE A 50 5.291 8.930 -10.346 1.00 0.00 O ATOM 713 CB PHE A 50 1.776 8.588 -11.328 1.00 0.00 C ATOM 714 CG PHE A 50 1.203 7.552 -10.368 1.00 0.00 C ATOM 715 CD1 PHE A 50 2.036 6.717 -9.606 1.00 0.00 C ATOM 716 CD2 PHE A 50 -0.188 7.449 -10.230 1.00 0.00 C ATOM 717 CE1 PHE A 50 1.477 5.793 -8.718 1.00 0.00 C ATOM 718 CE2 PHE A 50 -0.742 6.520 -9.342 1.00 0.00 C ATOM 719 CZ PHE A 50 0.092 5.694 -8.586 1.00 0.00 C ATOM 0 H PHE A 50 2.960 6.299 -11.519 1.00 0.00 H new ATOM 0 HA PHE A 50 3.583 9.064 -12.373 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.586 9.587 -10.935 1.00 0.00 H new ATOM 0 HB3 PHE A 50 1.259 8.518 -12.285 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.109 6.789 -9.706 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.835 8.089 -10.811 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.120 5.153 -8.132 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.814 6.442 -9.242 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.335 4.978 -7.899 1.00 0.00 H new ATOM 729 N TYR A 51 3.432 8.957 -9.172 1.00 0.00 N ATOM 730 CA TYR A 51 4.171 9.318 -7.931 1.00 0.00 C ATOM 731 C TYR A 51 3.991 8.213 -6.880 1.00 0.00 C ATOM 732 O TYR A 51 3.683 8.471 -5.730 1.00 0.00 O ATOM 733 CB TYR A 51 3.649 10.657 -7.397 1.00 0.00 C ATOM 734 CG TYR A 51 4.725 11.704 -7.551 1.00 0.00 C ATOM 735 CD1 TYR A 51 5.906 11.602 -6.810 1.00 0.00 C ATOM 736 CD2 TYR A 51 4.543 12.772 -8.439 1.00 0.00 C ATOM 737 CE1 TYR A 51 6.909 12.566 -6.954 1.00 0.00 C ATOM 738 CE2 TYR A 51 5.546 13.737 -8.585 1.00 0.00 C ATOM 739 CZ TYR A 51 6.729 13.634 -7.842 1.00 0.00 C ATOM 740 OH TYR A 51 7.717 14.587 -7.984 1.00 0.00 O ATOM 0 H TYR A 51 2.423 8.856 -9.064 1.00 0.00 H new ATOM 0 HA TYR A 51 5.234 9.417 -8.153 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.753 10.955 -7.942 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.367 10.559 -6.349 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.044 10.778 -6.126 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.630 12.851 -9.010 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.821 12.487 -6.381 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.408 14.560 -9.270 1.00 0.00 H new ATOM 0 HH TYR A 51 7.433 15.258 -8.640 1.00 0.00 H new ATOM 750 N GLU A 52 4.197 6.979 -7.267 1.00 0.00 N ATOM 751 CA GLU A 52 4.056 5.849 -6.296 1.00 0.00 C ATOM 752 C GLU A 52 5.135 5.978 -5.213 1.00 0.00 C ATOM 753 O GLU A 52 6.102 6.699 -5.375 1.00 0.00 O ATOM 754 CB GLU A 52 4.206 4.494 -7.018 1.00 0.00 C ATOM 755 CG GLU A 52 4.917 4.662 -8.370 1.00 0.00 C ATOM 756 CD GLU A 52 6.221 5.452 -8.202 1.00 0.00 C ATOM 757 OE1 GLU A 52 7.097 4.972 -7.505 1.00 0.00 O ATOM 758 OE2 GLU A 52 6.321 6.522 -8.781 1.00 0.00 O ATOM 0 H GLU A 52 4.457 6.704 -8.214 1.00 0.00 H new ATOM 0 HA GLU A 52 3.066 5.892 -5.841 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.771 3.805 -6.390 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.222 4.051 -7.174 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.132 3.683 -8.798 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.261 5.179 -9.070 1.00 0.00 H new ATOM 765 N PHE A 53 4.977 5.293 -4.108 1.00 0.00 N ATOM 766 CA PHE A 53 5.995 5.388 -3.016 1.00 0.00 C ATOM 767 C PHE A 53 6.142 4.034 -2.312 1.00 0.00 C ATOM 768 O PHE A 53 5.332 3.144 -2.478 1.00 0.00 O ATOM 769 CB PHE A 53 5.550 6.450 -2.003 1.00 0.00 C ATOM 770 CG PHE A 53 6.665 7.446 -1.785 1.00 0.00 C ATOM 771 CD1 PHE A 53 6.838 8.517 -2.672 1.00 0.00 C ATOM 772 CD2 PHE A 53 7.529 7.297 -0.693 1.00 0.00 C ATOM 773 CE1 PHE A 53 7.872 9.436 -2.466 1.00 0.00 C ATOM 774 CE2 PHE A 53 8.563 8.217 -0.488 1.00 0.00 C ATOM 775 CZ PHE A 53 8.735 9.286 -1.375 1.00 0.00 C ATOM 0 H PHE A 53 4.190 4.674 -3.915 1.00 0.00 H new ATOM 0 HA PHE A 53 6.957 5.668 -3.445 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.659 6.961 -2.366 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.283 5.976 -1.058 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.173 8.633 -3.515 1.00 0.00 H new ATOM 0 HD2 PHE A 53 7.397 6.472 -0.009 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.004 10.262 -3.149 1.00 0.00 H new ATOM 0 HE2 PHE A 53 9.229 8.102 0.355 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.534 9.995 -1.217 1.00 0.00 H new ATOM 785 N GLU A 54 7.177 3.876 -1.527 1.00 0.00 N ATOM 786 CA GLU A 54 7.392 2.585 -0.806 1.00 0.00 C ATOM 787 C GLU A 54 6.323 2.418 0.277 1.00 0.00 C ATOM 788 O GLU A 54 6.279 3.159 1.238 1.00 0.00 O ATOM 789 CB GLU A 54 8.783 2.581 -0.165 1.00 0.00 C ATOM 790 CG GLU A 54 9.032 3.916 0.547 1.00 0.00 C ATOM 791 CD GLU A 54 10.037 4.749 -0.254 1.00 0.00 C ATOM 792 OE1 GLU A 54 9.658 5.258 -1.297 1.00 0.00 O ATOM 793 OE2 GLU A 54 11.167 4.865 0.189 1.00 0.00 O ATOM 0 H GLU A 54 7.886 4.589 -1.354 1.00 0.00 H new ATOM 0 HA GLU A 54 7.319 1.758 -1.513 1.00 0.00 H new ATOM 0 HB2 GLU A 54 8.863 1.759 0.546 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.544 2.418 -0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.095 4.463 0.653 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.413 3.737 1.553 1.00 0.00 H new ATOM 800 N GLY A 55 5.457 1.450 0.125 1.00 0.00 N ATOM 801 CA GLY A 55 4.385 1.238 1.142 1.00 0.00 C ATOM 802 C GLY A 55 3.252 2.236 0.897 1.00 0.00 C ATOM 803 O GLY A 55 2.166 2.099 1.425 1.00 0.00 O ATOM 0 H GLY A 55 5.446 0.798 -0.659 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.006 0.218 1.081 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.789 1.368 2.146 1.00 0.00 H new ATOM 807 N ARG A 56 3.501 3.238 0.091 1.00 0.00 N ATOM 808 CA ARG A 56 2.447 4.253 -0.207 1.00 0.00 C ATOM 809 C ARG A 56 2.294 4.375 -1.724 1.00 0.00 C ATOM 810 O ARG A 56 2.846 3.597 -2.476 1.00 0.00 O ATOM 811 CB ARG A 56 2.842 5.619 0.377 1.00 0.00 C ATOM 812 CG ARG A 56 3.920 5.449 1.454 1.00 0.00 C ATOM 813 CD ARG A 56 4.236 6.811 2.079 1.00 0.00 C ATOM 814 NE ARG A 56 5.720 7.033 2.104 1.00 0.00 N ATOM 815 CZ ARG A 56 6.540 6.110 2.541 1.00 0.00 C ATOM 816 NH1 ARG A 56 6.082 5.008 3.067 1.00 0.00 N ATOM 817 NH2 ARG A 56 7.827 6.307 2.475 1.00 0.00 N ATOM 0 H ARG A 56 4.394 3.396 -0.375 1.00 0.00 H new ATOM 0 HA ARG A 56 1.506 3.938 0.243 1.00 0.00 H new ATOM 0 HB2 ARG A 56 3.212 6.268 -0.417 1.00 0.00 H new ATOM 0 HB3 ARG A 56 1.966 6.106 0.805 1.00 0.00 H new ATOM 0 HG2 ARG A 56 3.576 4.756 2.222 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.821 5.019 1.017 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.751 7.603 1.509 1.00 0.00 H new ATOM 0 HD3 ARG A 56 3.836 6.857 3.092 1.00 0.00 H new ATOM 0 HE ARG A 56 6.098 7.921 1.774 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.076 4.858 3.141 1.00 0.00 H new ATOM 0 HH12 ARG A 56 6.730 4.296 3.404 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.190 7.176 2.085 1.00 0.00 H new ATOM 0 HH22 ARG A 56 8.470 5.592 2.814 1.00 0.00 H new ATOM 831 N LYS A 57 1.551 5.348 -2.179 1.00 0.00 N ATOM 832 CA LYS A 57 1.364 5.524 -3.648 1.00 0.00 C ATOM 833 C LYS A 57 0.503 6.759 -3.905 1.00 0.00 C ATOM 834 O LYS A 57 -0.544 6.930 -3.313 1.00 0.00 O ATOM 835 CB LYS A 57 0.666 4.292 -4.234 1.00 0.00 C ATOM 836 CG LYS A 57 -0.605 3.996 -3.433 1.00 0.00 C ATOM 837 CD LYS A 57 -0.948 2.511 -3.537 1.00 0.00 C ATOM 838 CE LYS A 57 -2.029 2.306 -4.597 1.00 0.00 C ATOM 839 NZ LYS A 57 -2.929 1.196 -4.174 1.00 0.00 N ATOM 0 H LYS A 57 1.065 6.029 -1.596 1.00 0.00 H new ATOM 0 HA LYS A 57 2.338 5.648 -4.121 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.417 4.466 -5.281 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.336 3.433 -4.204 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.461 4.273 -2.389 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.432 4.597 -3.811 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.057 1.939 -3.797 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.295 2.140 -2.573 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.602 3.223 -4.731 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.572 2.073 -5.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.812 1.237 -4.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.458 0.284 -4.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.146 1.292 -3.161 1.00 0.00 H new ATOM 853 N TYR A 58 0.937 7.624 -4.781 1.00 0.00 N ATOM 854 CA TYR A 58 0.144 8.849 -5.073 1.00 0.00 C ATOM 855 C TYR A 58 0.289 9.222 -6.542 1.00 0.00 C ATOM 856 O TYR A 58 1.352 9.111 -7.119 1.00 0.00 O ATOM 857 CB TYR A 58 0.663 10.009 -4.221 1.00 0.00 C ATOM 858 CG TYR A 58 0.596 9.630 -2.763 1.00 0.00 C ATOM 859 CD1 TYR A 58 -0.638 9.606 -2.100 1.00 0.00 C ATOM 860 CD2 TYR A 58 1.769 9.297 -2.075 1.00 0.00 C ATOM 861 CE1 TYR A 58 -0.697 9.251 -0.747 1.00 0.00 C ATOM 862 CE2 TYR A 58 1.710 8.942 -0.724 1.00 0.00 C ATOM 863 CZ TYR A 58 0.478 8.920 -0.059 1.00 0.00 C ATOM 864 OH TYR A 58 0.420 8.569 1.274 1.00 0.00 O ATOM 0 H TYR A 58 1.807 7.534 -5.306 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.904 8.654 -4.844 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.690 10.248 -4.499 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.067 10.903 -4.403 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.543 9.861 -2.632 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.719 9.314 -2.588 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.647 9.232 -0.234 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.615 8.685 -0.193 1.00 0.00 H new ATOM 0 HH TYR A 58 1.322 8.368 1.599 1.00 0.00 H new ATOM 874 N CYS A 59 -0.763 9.691 -7.143 1.00 0.00 N ATOM 875 CA CYS A 59 -0.678 10.108 -8.565 1.00 0.00 C ATOM 876 C CYS A 59 -0.324 11.592 -8.587 1.00 0.00 C ATOM 877 O CYS A 59 -0.129 12.199 -7.550 1.00 0.00 O ATOM 878 CB CYS A 59 -2.025 9.880 -9.256 1.00 0.00 C ATOM 879 SG CYS A 59 -3.361 10.515 -8.213 1.00 0.00 S ATOM 0 H CYS A 59 -1.680 9.804 -6.710 1.00 0.00 H new ATOM 0 HA CYS A 59 0.078 9.526 -9.093 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.037 10.381 -10.224 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.172 8.817 -9.445 1.00 0.00 H new ATOM 884 N GLU A 60 -0.244 12.191 -9.740 1.00 0.00 N ATOM 885 CA GLU A 60 0.093 13.641 -9.783 1.00 0.00 C ATOM 886 C GLU A 60 -1.015 14.433 -9.083 1.00 0.00 C ATOM 887 O GLU A 60 -0.929 15.632 -8.935 1.00 0.00 O ATOM 888 CB GLU A 60 0.226 14.102 -11.240 1.00 0.00 C ATOM 889 CG GLU A 60 0.876 15.493 -11.288 1.00 0.00 C ATOM 890 CD GLU A 60 2.139 15.512 -10.419 1.00 0.00 C ATOM 891 OE1 GLU A 60 3.095 14.846 -10.782 1.00 0.00 O ATOM 892 OE2 GLU A 60 2.127 16.190 -9.404 1.00 0.00 O ATOM 0 H GLU A 60 -0.395 11.747 -10.646 1.00 0.00 H new ATOM 0 HA GLU A 60 1.041 13.812 -9.273 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.829 13.389 -11.803 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.756 14.133 -11.712 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.129 15.750 -12.317 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.171 16.245 -10.935 1.00 0.00 H new ATOM 899 N HIS A 61 -2.058 13.766 -8.649 1.00 0.00 N ATOM 900 CA HIS A 61 -3.175 14.475 -7.959 1.00 0.00 C ATOM 901 C HIS A 61 -2.792 14.749 -6.497 1.00 0.00 C ATOM 902 O HIS A 61 -2.538 15.875 -6.119 1.00 0.00 O ATOM 903 CB HIS A 61 -4.450 13.609 -8.033 1.00 0.00 C ATOM 904 CG HIS A 61 -5.184 13.625 -6.715 1.00 0.00 C ATOM 905 ND1 HIS A 61 -5.352 12.483 -5.933 1.00 0.00 N ATOM 906 CD2 HIS A 61 -5.794 14.642 -6.022 1.00 0.00 C ATOM 907 CE1 HIS A 61 -6.034 12.848 -4.832 1.00 0.00 C ATOM 908 NE2 HIS A 61 -6.327 14.150 -4.836 1.00 0.00 N ATOM 0 H HIS A 61 -2.181 12.758 -8.745 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.366 15.429 -8.450 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -5.103 13.981 -8.823 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -4.185 12.585 -8.295 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.851 15.670 -6.349 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -6.311 12.168 -4.040 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -6.834 14.673 -4.121 1.00 0.00 H new ATOM 916 N ASP A 62 -2.757 13.736 -5.673 1.00 0.00 N ATOM 917 CA ASP A 62 -2.399 13.960 -4.245 1.00 0.00 C ATOM 918 C ASP A 62 -1.032 14.629 -4.173 1.00 0.00 C ATOM 919 O ASP A 62 -0.779 15.465 -3.327 1.00 0.00 O ATOM 920 CB ASP A 62 -2.354 12.620 -3.505 1.00 0.00 C ATOM 921 CG ASP A 62 -3.636 12.441 -2.690 1.00 0.00 C ATOM 922 OD1 ASP A 62 -3.941 13.316 -1.896 1.00 0.00 O ATOM 923 OD2 ASP A 62 -4.291 11.433 -2.875 1.00 0.00 O ATOM 0 H ASP A 62 -2.960 12.769 -5.926 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.148 14.600 -3.778 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.247 11.803 -4.218 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.485 12.585 -2.848 1.00 0.00 H new ATOM 928 N PHE A 63 -0.149 14.274 -5.065 1.00 0.00 N ATOM 929 CA PHE A 63 1.198 14.891 -5.048 1.00 0.00 C ATOM 930 C PHE A 63 1.079 16.379 -5.380 1.00 0.00 C ATOM 931 O PHE A 63 1.650 17.208 -4.703 1.00 0.00 O ATOM 932 CB PHE A 63 2.111 14.187 -6.054 1.00 0.00 C ATOM 933 CG PHE A 63 3.458 13.959 -5.407 1.00 0.00 C ATOM 934 CD1 PHE A 63 3.658 12.839 -4.590 1.00 0.00 C ATOM 935 CD2 PHE A 63 4.499 14.871 -5.611 1.00 0.00 C ATOM 936 CE1 PHE A 63 4.899 12.629 -3.979 1.00 0.00 C ATOM 937 CE2 PHE A 63 5.740 14.664 -4.998 1.00 0.00 C ATOM 938 CZ PHE A 63 5.942 13.544 -4.182 1.00 0.00 C ATOM 0 H PHE A 63 -0.305 13.585 -5.801 1.00 0.00 H new ATOM 0 HA PHE A 63 1.635 14.783 -4.055 1.00 0.00 H new ATOM 0 HB2 PHE A 63 1.674 13.237 -6.361 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.221 14.793 -6.953 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.853 12.137 -4.431 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.345 15.734 -6.241 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.053 11.763 -3.352 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.543 15.369 -5.154 1.00 0.00 H new ATOM 0 HZ PHE A 63 6.900 13.385 -3.710 1.00 0.00 H new ATOM 948 N GLN A 64 0.326 16.738 -6.397 1.00 0.00 N ATOM 949 CA GLN A 64 0.183 18.190 -6.719 1.00 0.00 C ATOM 950 C GLN A 64 -0.739 18.833 -5.690 1.00 0.00 C ATOM 951 O GLN A 64 -0.949 20.031 -5.686 1.00 0.00 O ATOM 952 CB GLN A 64 -0.384 18.376 -8.134 1.00 0.00 C ATOM 953 CG GLN A 64 -1.902 18.148 -8.130 1.00 0.00 C ATOM 954 CD GLN A 64 -2.463 18.415 -9.528 1.00 0.00 C ATOM 955 OE1 GLN A 64 -3.191 19.366 -9.732 1.00 0.00 O ATOM 956 NE2 GLN A 64 -2.153 17.611 -10.508 1.00 0.00 N ATOM 0 H GLN A 64 -0.185 16.099 -7.006 1.00 0.00 H new ATOM 0 HA GLN A 64 1.162 18.668 -6.685 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.161 19.380 -8.494 1.00 0.00 H new ATOM 0 HB3 GLN A 64 0.094 17.677 -8.820 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.126 17.125 -7.826 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.377 18.808 -7.404 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.542 16.812 -10.338 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -2.522 17.781 -11.444 1.00 0.00 H new ATOM 965 N MET A 65 -1.253 18.044 -4.790 1.00 0.00 N ATOM 966 CA MET A 65 -2.126 18.593 -3.722 1.00 0.00 C ATOM 967 C MET A 65 -1.192 19.179 -2.675 1.00 0.00 C ATOM 968 O MET A 65 -1.504 20.133 -1.990 1.00 0.00 O ATOM 969 CB MET A 65 -2.968 17.469 -3.107 1.00 0.00 C ATOM 970 CG MET A 65 -4.294 18.040 -2.597 1.00 0.00 C ATOM 971 SD MET A 65 -5.134 16.796 -1.586 1.00 0.00 S ATOM 972 CE MET A 65 -6.709 17.670 -1.408 1.00 0.00 C ATOM 0 H MET A 65 -1.104 17.036 -4.750 1.00 0.00 H new ATOM 0 HA MET A 65 -2.811 19.346 -4.111 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.156 16.694 -3.850 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.423 17.000 -2.288 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.113 18.940 -2.010 1.00 0.00 H new ATOM 0 HG3 MET A 65 -4.926 18.329 -3.437 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.392 17.070 -0.806 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.540 18.629 -0.918 1.00 0.00 H new ATOM 0 HE3 MET A 65 -7.145 17.838 -2.393 1.00 0.00 H new ATOM 982 N LEU A 66 -0.025 18.601 -2.583 1.00 0.00 N ATOM 983 CA LEU A 66 1.001 19.085 -1.624 1.00 0.00 C ATOM 984 C LEU A 66 2.044 19.867 -2.420 1.00 0.00 C ATOM 985 O LEU A 66 2.813 20.638 -1.877 1.00 0.00 O ATOM 986 CB LEU A 66 1.682 17.881 -0.964 1.00 0.00 C ATOM 987 CG LEU A 66 0.666 16.752 -0.791 1.00 0.00 C ATOM 988 CD1 LEU A 66 1.379 15.491 -0.294 1.00 0.00 C ATOM 989 CD2 LEU A 66 -0.406 17.166 0.222 1.00 0.00 C ATOM 0 H LEU A 66 0.263 17.799 -3.144 1.00 0.00 H new ATOM 0 HA LEU A 66 0.546 19.710 -0.856 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.518 17.542 -1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.092 18.167 0.005 1.00 0.00 H new ATOM 0 HG LEU A 66 0.192 16.548 -1.751 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.653 14.687 -0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.134 15.190 -1.020 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.858 15.697 0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.127 16.357 0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.064 17.377 1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.919 18.059 -0.135 1.00 0.00 H new ATOM 1001 N PHE A 67 2.076 19.655 -3.714 1.00 0.00 N ATOM 1002 CA PHE A 67 3.068 20.359 -4.573 1.00 0.00 C ATOM 1003 C PHE A 67 2.556 21.756 -4.937 1.00 0.00 C ATOM 1004 O PHE A 67 2.670 22.191 -6.068 1.00 0.00 O ATOM 1005 CB PHE A 67 3.307 19.548 -5.853 1.00 0.00 C ATOM 1006 CG PHE A 67 4.774 19.593 -6.218 1.00 0.00 C ATOM 1007 CD1 PHE A 67 5.300 20.712 -6.874 1.00 0.00 C ATOM 1008 CD2 PHE A 67 5.608 18.514 -5.898 1.00 0.00 C ATOM 1009 CE1 PHE A 67 6.658 20.752 -7.212 1.00 0.00 C ATOM 1010 CE2 PHE A 67 6.966 18.554 -6.236 1.00 0.00 C ATOM 1011 CZ PHE A 67 7.491 19.673 -6.893 1.00 0.00 C ATOM 0 H PHE A 67 1.452 19.020 -4.211 1.00 0.00 H new ATOM 0 HA PHE A 67 4.004 20.458 -4.024 1.00 0.00 H new ATOM 0 HB2 PHE A 67 2.991 18.515 -5.705 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.707 19.952 -6.668 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.658 21.545 -7.120 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.203 17.651 -5.390 1.00 0.00 H new ATOM 0 HE1 PHE A 67 7.063 21.615 -7.719 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.609 17.722 -5.990 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.539 19.704 -7.154 1.00 0.00 H new ATOM 1021 N ALA A 68 2.003 22.467 -3.989 1.00 0.00 N ATOM 1022 CA ALA A 68 1.494 23.842 -4.277 1.00 0.00 C ATOM 1023 C ALA A 68 0.522 23.804 -5.467 1.00 0.00 C ATOM 1024 O ALA A 68 0.865 24.217 -6.559 1.00 0.00 O ATOM 1025 CB ALA A 68 2.675 24.755 -4.611 1.00 0.00 C ATOM 0 H ALA A 68 1.881 22.154 -3.026 1.00 0.00 H new ATOM 0 HA ALA A 68 0.968 24.223 -3.401 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.310 25.760 -4.822 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.360 24.788 -3.764 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.198 24.368 -5.485 1.00 0.00 H new ATOM 1031 N PRO A 69 -0.665 23.307 -5.218 1.00 0.00 N ATOM 1032 CA PRO A 69 -1.706 23.207 -6.256 1.00 0.00 C ATOM 1033 C PRO A 69 -2.067 24.603 -6.777 1.00 0.00 C ATOM 1034 O PRO A 69 -2.718 25.377 -6.103 1.00 0.00 O ATOM 1035 CB PRO A 69 -2.907 22.561 -5.547 1.00 0.00 C ATOM 1036 CG PRO A 69 -2.502 22.314 -4.071 1.00 0.00 C ATOM 1037 CD PRO A 69 -1.061 22.811 -3.888 1.00 0.00 C ATOM 0 HA PRO A 69 -1.382 22.624 -7.118 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -3.779 23.212 -5.601 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -3.179 21.623 -6.032 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.176 22.842 -3.397 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -2.574 21.254 -3.828 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.007 23.601 -3.139 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -0.405 22.008 -3.553 1.00 0.00 H new ATOM 1045 N CYS A 70 -1.642 24.927 -7.971 1.00 0.00 N ATOM 1046 CA CYS A 70 -1.949 26.270 -8.544 1.00 0.00 C ATOM 1047 C CYS A 70 -2.604 26.101 -9.917 1.00 0.00 C ATOM 1048 O CYS A 70 -3.615 26.743 -10.153 1.00 0.00 O ATOM 1049 CB CYS A 70 -0.651 27.069 -8.691 1.00 0.00 C ATOM 1050 SG CYS A 70 0.112 27.285 -7.065 1.00 0.00 S ATOM 0 H CYS A 70 -1.093 24.316 -8.576 1.00 0.00 H new ATOM 0 HA CYS A 70 -2.630 26.802 -7.881 1.00 0.00 H new ATOM 0 HB2 CYS A 70 0.035 26.549 -9.360 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -0.858 28.041 -9.139 1.00 0.00 H new ATOM 0 HG CYS A 70 0.518 26.133 -6.620 1.00 0.00 H new TER 1056 CYS A 70 HETATM 1057 ZN ZN A 998 -2.754 -4.822 -10.860 1.00 0.00 ZN HETATM 1058 ZN ZN A 999 -4.722 10.627 -6.363 1.00 0.00 ZN