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 90:sc= -0.875! USER MOD Set 1.2: A 31 TYR OH : rot 136:sc= -3.36! USER MOD Single : A 1 MET CE :methyl 179:sc= 0 (180deg=-0.00127) USER MOD Single : A 1 MET N :NH3+ -108:sc= 0.0295 (180deg=-0.0537) USER MOD Single : A 3 ASN :FLIP amide:sc= -0.905 F(o=-1.8,f=-0.91) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -106:sc= 0.346 (180deg=-3.44!) USER MOD Single : A 22 LYS NZ :NH3+ -172:sc= 0.648 (180deg=0.229) USER MOD Single : A 25 ASN : amide:sc= -0.604 K(o=-0.6,f=-5.9!) USER MOD Single : A 27 ASN : amide:sc= -4.07! C(o=-4.1!,f=-12!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0.27) USER MOD Single : A 40 GLN : amide:sc= -0.961 X(o=-0.96,f=-0.67) USER MOD Single : A 43 GLN : amide:sc= -0.495 X(o=-0.49,f=-0.3) USER MOD Single : A 44 GLN : amide:sc= -3.46! C(o=-3.5!,f=-5!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -116:sc= 0.258 (180deg=0) USER MOD Single : A 58 TYR OH : rot 30:sc= -0.113 USER MOD Single : A 64 GLN : amide:sc= -0.197 K(o=-0.2,f=-3.7!) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot 180:sc= -0.388 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.120 -28.928 -10.220 1.00 0.00 N ATOM 2 CA MET A 1 11.673 -28.394 -8.942 1.00 0.00 C ATOM 3 C MET A 1 10.964 -27.085 -8.588 1.00 0.00 C ATOM 4 O MET A 1 10.605 -26.309 -9.453 1.00 0.00 O ATOM 5 CB MET A 1 13.174 -28.134 -9.103 1.00 0.00 C ATOM 6 CG MET A 1 13.927 -29.467 -9.166 1.00 0.00 C ATOM 7 SD MET A 1 15.023 -29.474 -10.608 1.00 0.00 S ATOM 8 CE MET A 1 16.320 -28.417 -9.918 1.00 0.00 C ATOM 0 H1 MET A 1 10.537 -29.766 -10.023 1.00 0.00 H new ATOM 0 H2 MET A 1 10.535 -28.199 -10.677 1.00 0.00 H new ATOM 0 H3 MET A 1 11.902 -29.192 -10.853 1.00 0.00 H new ATOM 0 HA MET A 1 11.514 -29.121 -8.146 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.358 -27.559 -10.010 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.541 -27.538 -8.268 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.507 -29.613 -8.255 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.220 -30.294 -9.230 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.121 -28.300 -10.648 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.903 -27.439 -9.678 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.718 -28.874 -9.012 1.00 0.00 H new ATOM 18 N ALA A 2 10.759 -26.835 -7.321 1.00 0.00 N ATOM 19 CA ALA A 2 10.073 -25.577 -6.904 1.00 0.00 C ATOM 20 C ALA A 2 11.066 -24.413 -6.958 1.00 0.00 C ATOM 21 O ALA A 2 12.164 -24.497 -6.442 1.00 0.00 O ATOM 22 CB ALA A 2 9.545 -25.733 -5.475 1.00 0.00 C ATOM 0 H ALA A 2 11.038 -27.449 -6.556 1.00 0.00 H new ATOM 0 HA ALA A 2 9.241 -25.376 -7.578 1.00 0.00 H new ATOM 0 HB1 ALA A 2 9.044 -24.814 -5.170 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.838 -26.562 -5.437 1.00 0.00 H new ATOM 0 HB3 ALA A 2 10.377 -25.934 -4.800 1.00 0.00 H new ATOM 28 N ASN A 3 10.686 -23.325 -7.578 1.00 0.00 N ATOM 29 CA ASN A 3 11.603 -22.151 -7.667 1.00 0.00 C ATOM 30 C ASN A 3 11.602 -21.395 -6.335 1.00 0.00 C ATOM 31 O ASN A 3 10.754 -21.611 -5.489 1.00 0.00 O ATOM 32 CB ASN A 3 11.128 -21.219 -8.786 1.00 0.00 C ATOM 33 CG ASN A 3 9.697 -20.756 -8.498 1.00 0.00 C ATOM 34 OD1 ASN A 3 9.504 -19.660 -7.818 1.00 0.00 O flip ATOM 35 ND2 ASN A 3 8.747 -21.401 -8.894 1.00 0.00 N flip ATOM 0 H ASN A 3 9.779 -23.200 -8.027 1.00 0.00 H new ATOM 0 HA ASN A 3 12.614 -22.496 -7.884 1.00 0.00 H new ATOM 0 HB2 ASN A 3 11.791 -20.357 -8.861 1.00 0.00 H new ATOM 0 HB3 ASN A 3 11.167 -21.736 -9.745 1.00 0.00 H new ATOM 0 HD21 ASN A 3 8.899 -22.258 -9.426 1.00 0.00 H new ATOM 0 HD22 ASN A 3 7.798 -21.086 -8.695 1.00 0.00 H new ATOM 42 N ALA A 4 12.544 -20.508 -6.145 1.00 0.00 N ATOM 43 CA ALA A 4 12.603 -19.732 -4.871 1.00 0.00 C ATOM 44 C ALA A 4 11.600 -18.574 -4.932 1.00 0.00 C ATOM 45 O ALA A 4 11.967 -17.419 -4.838 1.00 0.00 O ATOM 46 CB ALA A 4 14.019 -19.183 -4.676 1.00 0.00 C ATOM 0 H ALA A 4 13.277 -20.287 -6.819 1.00 0.00 H new ATOM 0 HA ALA A 4 12.350 -20.382 -4.033 1.00 0.00 H new ATOM 0 HB1 ALA A 4 14.065 -18.616 -3.746 1.00 0.00 H new ATOM 0 HB2 ALA A 4 14.727 -20.010 -4.631 1.00 0.00 H new ATOM 0 HB3 ALA A 4 14.275 -18.531 -5.511 1.00 0.00 H new ATOM 52 N LEU A 5 10.336 -18.884 -5.091 1.00 0.00 N ATOM 53 CA LEU A 5 9.287 -17.818 -5.163 1.00 0.00 C ATOM 54 C LEU A 5 9.427 -17.040 -6.475 1.00 0.00 C ATOM 55 O LEU A 5 10.501 -16.596 -6.836 1.00 0.00 O ATOM 56 CB LEU A 5 9.433 -16.858 -3.974 1.00 0.00 C ATOM 57 CG LEU A 5 8.061 -16.284 -3.603 1.00 0.00 C ATOM 58 CD1 LEU A 5 7.329 -17.257 -2.674 1.00 0.00 C ATOM 59 CD2 LEU A 5 8.245 -14.941 -2.890 1.00 0.00 C ATOM 0 H LEU A 5 9.983 -19.837 -5.175 1.00 0.00 H new ATOM 0 HA LEU A 5 8.303 -18.285 -5.125 1.00 0.00 H new ATOM 0 HB2 LEU A 5 9.861 -17.383 -3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 5 10.119 -16.050 -4.228 1.00 0.00 H new ATOM 0 HG LEU A 5 7.474 -16.139 -4.510 1.00 0.00 H new ATOM 0 HD11 LEU A 5 6.354 -16.846 -2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 5 7.196 -18.213 -3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 5 7.916 -17.405 -1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 5 7.270 -14.533 -2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.834 -15.087 -1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 5 8.763 -14.246 -3.551 1.00 0.00 H new ATOM 71 N ALA A 6 8.347 -16.873 -7.192 1.00 0.00 N ATOM 72 CA ALA A 6 8.406 -16.127 -8.482 1.00 0.00 C ATOM 73 C ALA A 6 7.003 -15.640 -8.854 1.00 0.00 C ATOM 74 O ALA A 6 6.825 -14.537 -9.336 1.00 0.00 O ATOM 75 CB ALA A 6 8.935 -17.050 -9.584 1.00 0.00 C ATOM 0 H ALA A 6 7.423 -17.223 -6.938 1.00 0.00 H new ATOM 0 HA ALA A 6 9.072 -15.271 -8.376 1.00 0.00 H new ATOM 0 HB1 ALA A 6 8.978 -16.504 -10.526 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.934 -17.397 -9.320 1.00 0.00 H new ATOM 0 HB3 ALA A 6 8.270 -17.907 -9.691 1.00 0.00 H new ATOM 81 N SER A 7 6.005 -16.456 -8.634 1.00 0.00 N ATOM 82 CA SER A 7 4.610 -16.049 -8.972 1.00 0.00 C ATOM 83 C SER A 7 4.165 -14.917 -8.042 1.00 0.00 C ATOM 84 O SER A 7 4.447 -14.927 -6.859 1.00 0.00 O ATOM 85 CB SER A 7 3.674 -17.247 -8.800 1.00 0.00 C ATOM 86 OG SER A 7 2.354 -16.870 -9.171 1.00 0.00 O ATOM 0 H SER A 7 6.097 -17.390 -8.233 1.00 0.00 H new ATOM 0 HA SER A 7 4.574 -15.703 -10.005 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.013 -18.080 -9.416 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.689 -17.589 -7.765 1.00 0.00 H new ATOM 0 HG SER A 7 1.753 -17.636 -9.063 1.00 0.00 H new ATOM 92 N ALA A 8 3.470 -13.943 -8.570 1.00 0.00 N ATOM 93 CA ALA A 8 3.001 -12.807 -7.725 1.00 0.00 C ATOM 94 C ALA A 8 1.805 -12.130 -8.399 1.00 0.00 C ATOM 95 O ALA A 8 1.541 -12.340 -9.570 1.00 0.00 O ATOM 96 CB ALA A 8 4.138 -11.793 -7.557 1.00 0.00 C ATOM 0 H ALA A 8 3.207 -13.886 -9.554 1.00 0.00 H new ATOM 0 HA ALA A 8 2.701 -13.180 -6.746 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.796 -10.962 -6.940 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.989 -12.276 -7.076 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.439 -11.418 -8.535 1.00 0.00 H new ATOM 102 N THR A 9 1.079 -11.320 -7.670 1.00 0.00 N ATOM 103 CA THR A 9 -0.103 -10.631 -8.266 1.00 0.00 C ATOM 104 C THR A 9 -0.028 -9.127 -7.980 1.00 0.00 C ATOM 105 O THR A 9 0.713 -8.681 -7.126 1.00 0.00 O ATOM 106 CB THR A 9 -1.389 -11.206 -7.663 1.00 0.00 C ATOM 107 OG1 THR A 9 -1.466 -10.856 -6.287 1.00 0.00 O ATOM 108 CG2 THR A 9 -1.391 -12.731 -7.801 1.00 0.00 C ATOM 0 H THR A 9 1.255 -11.107 -6.688 1.00 0.00 H new ATOM 0 HA THR A 9 -0.105 -10.790 -9.344 1.00 0.00 H new ATOM 0 HB THR A 9 -2.248 -10.795 -8.194 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.289 -11.222 -5.902 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.308 -13.134 -7.371 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.336 -13.001 -8.856 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.531 -13.145 -7.275 1.00 0.00 H new ATOM 116 N CYS A 10 -0.787 -8.347 -8.707 1.00 0.00 N ATOM 117 CA CYS A 10 -0.770 -6.861 -8.517 1.00 0.00 C ATOM 118 C CYS A 10 -1.215 -6.481 -7.099 1.00 0.00 C ATOM 119 O CYS A 10 -1.804 -7.266 -6.382 1.00 0.00 O ATOM 120 CB CYS A 10 -1.705 -6.224 -9.540 1.00 0.00 C ATOM 121 SG CYS A 10 -1.386 -4.446 -9.650 1.00 0.00 S ATOM 0 H CYS A 10 -1.424 -8.678 -9.431 1.00 0.00 H new ATOM 0 HA CYS A 10 0.248 -6.498 -8.658 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -1.560 -6.688 -10.515 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.742 -6.398 -9.255 1.00 0.00 H new ATOM 126 N GLU A 11 -0.921 -5.274 -6.692 1.00 0.00 N ATOM 127 CA GLU A 11 -1.296 -4.811 -5.325 1.00 0.00 C ATOM 128 C GLU A 11 -2.752 -4.328 -5.303 1.00 0.00 C ATOM 129 O GLU A 11 -3.537 -4.739 -4.470 1.00 0.00 O ATOM 130 CB GLU A 11 -0.365 -3.655 -4.930 1.00 0.00 C ATOM 131 CG GLU A 11 -0.967 -2.846 -3.768 1.00 0.00 C ATOM 132 CD GLU A 11 -1.327 -1.434 -4.247 1.00 0.00 C ATOM 133 OE1 GLU A 11 -0.439 -0.743 -4.720 1.00 0.00 O ATOM 134 OE2 GLU A 11 -2.484 -1.064 -4.128 1.00 0.00 O ATOM 0 H GLU A 11 -0.430 -4.581 -7.257 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.196 -5.637 -4.621 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.609 -4.049 -4.640 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.202 -3.003 -5.788 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.856 -3.348 -3.386 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.255 -2.790 -2.945 1.00 0.00 H new ATOM 141 N ARG A 12 -3.107 -3.438 -6.190 1.00 0.00 N ATOM 142 CA ARG A 12 -4.500 -2.899 -6.198 1.00 0.00 C ATOM 143 C ARG A 12 -5.438 -3.791 -7.018 1.00 0.00 C ATOM 144 O ARG A 12 -6.643 -3.725 -6.865 1.00 0.00 O ATOM 145 CB ARG A 12 -4.483 -1.493 -6.805 1.00 0.00 C ATOM 146 CG ARG A 12 -4.136 -1.568 -8.298 1.00 0.00 C ATOM 147 CD ARG A 12 -5.306 -1.032 -9.129 1.00 0.00 C ATOM 148 NE ARG A 12 -6.388 -2.058 -9.189 1.00 0.00 N ATOM 149 CZ ARG A 12 -7.588 -1.727 -9.585 1.00 0.00 C ATOM 150 NH1 ARG A 12 -7.848 -0.498 -9.937 1.00 0.00 N ATOM 151 NH2 ARG A 12 -8.528 -2.629 -9.631 1.00 0.00 N ATOM 0 H ARG A 12 -2.493 -3.060 -6.911 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.867 -2.871 -5.172 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.456 -1.020 -6.673 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -3.753 -0.872 -6.285 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.237 -0.987 -8.502 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.920 -2.599 -8.579 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.688 -0.112 -8.687 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.968 -0.786 -10.136 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.190 -3.022 -8.920 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.113 0.208 -9.904 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.786 -0.244 -10.246 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.326 -3.591 -9.358 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.466 -2.373 -9.940 1.00 0.00 H new ATOM 165 N CYS A 13 -4.913 -4.599 -7.898 1.00 0.00 N ATOM 166 CA CYS A 13 -5.802 -5.461 -8.734 1.00 0.00 C ATOM 167 C CYS A 13 -5.518 -6.946 -8.471 1.00 0.00 C ATOM 168 O CYS A 13 -6.314 -7.799 -8.813 1.00 0.00 O ATOM 169 CB CYS A 13 -5.571 -5.128 -10.213 1.00 0.00 C ATOM 170 SG CYS A 13 -4.418 -6.314 -10.943 1.00 0.00 S ATOM 0 H CYS A 13 -3.914 -4.701 -8.075 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.842 -5.267 -8.473 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -6.518 -5.151 -10.751 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -5.175 -4.117 -10.309 1.00 0.00 H new ATOM 175 N LYS A 14 -4.398 -7.264 -7.869 1.00 0.00 N ATOM 176 CA LYS A 14 -4.078 -8.698 -7.587 1.00 0.00 C ATOM 177 C LYS A 14 -4.158 -9.504 -8.885 1.00 0.00 C ATOM 178 O LYS A 14 -4.647 -10.617 -8.913 1.00 0.00 O ATOM 179 CB LYS A 14 -5.070 -9.258 -6.557 1.00 0.00 C ATOM 180 CG LYS A 14 -4.479 -9.133 -5.149 1.00 0.00 C ATOM 181 CD LYS A 14 -4.636 -7.693 -4.650 1.00 0.00 C ATOM 182 CE LYS A 14 -3.873 -7.521 -3.334 1.00 0.00 C ATOM 183 NZ LYS A 14 -2.408 -7.512 -3.606 1.00 0.00 N ATOM 0 H LYS A 14 -3.693 -6.594 -7.561 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.069 -8.772 -7.182 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.014 -8.716 -6.615 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.288 -10.303 -6.779 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.983 -9.821 -4.470 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.425 -9.412 -5.160 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.256 -6.995 -5.396 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.691 -7.461 -4.504 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.169 -6.591 -2.849 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.121 -8.331 -2.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.992 -8.414 -3.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.245 -7.386 -4.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.963 -6.730 -3.085 1.00 0.00 H new ATOM 197 N GLY A 15 -3.669 -8.950 -9.963 1.00 0.00 N ATOM 198 CA GLY A 15 -3.705 -9.680 -11.259 1.00 0.00 C ATOM 199 C GLY A 15 -2.400 -10.454 -11.428 1.00 0.00 C ATOM 200 O GLY A 15 -1.327 -9.881 -11.423 1.00 0.00 O ATOM 0 H GLY A 15 -3.246 -8.022 -9.999 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.554 -10.363 -11.283 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.837 -8.979 -12.083 1.00 0.00 H new ATOM 204 N GLY A 16 -2.482 -11.751 -11.572 1.00 0.00 N ATOM 205 CA GLY A 16 -1.243 -12.564 -11.738 1.00 0.00 C ATOM 206 C GLY A 16 -0.443 -12.031 -12.926 1.00 0.00 C ATOM 207 O GLY A 16 -0.890 -12.076 -14.056 1.00 0.00 O ATOM 0 H GLY A 16 -3.353 -12.281 -11.582 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.641 -12.519 -10.830 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.500 -13.611 -11.899 1.00 0.00 H new ATOM 211 N PHE A 17 0.732 -11.519 -12.675 1.00 0.00 N ATOM 212 CA PHE A 17 1.566 -10.970 -13.787 1.00 0.00 C ATOM 213 C PHE A 17 2.966 -11.594 -13.756 1.00 0.00 C ATOM 214 O PHE A 17 3.221 -12.539 -13.035 1.00 0.00 O ATOM 215 CB PHE A 17 1.672 -9.441 -13.662 1.00 0.00 C ATOM 216 CG PHE A 17 1.839 -9.003 -12.214 1.00 0.00 C ATOM 217 CD1 PHE A 17 2.389 -9.869 -11.254 1.00 0.00 C ATOM 218 CD2 PHE A 17 1.458 -7.707 -11.836 1.00 0.00 C ATOM 219 CE1 PHE A 17 2.551 -9.440 -9.936 1.00 0.00 C ATOM 220 CE2 PHE A 17 1.624 -7.282 -10.518 1.00 0.00 C ATOM 221 CZ PHE A 17 2.171 -8.149 -9.569 1.00 0.00 C ATOM 0 H PHE A 17 1.152 -11.456 -11.748 1.00 0.00 H new ATOM 0 HA PHE A 17 1.090 -11.217 -14.736 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.519 -9.086 -14.249 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.778 -8.979 -14.081 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.687 -10.868 -11.536 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.034 -7.036 -12.568 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.971 -10.108 -9.199 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.330 -6.283 -10.231 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.300 -7.819 -8.549 1.00 0.00 H new ATOM 231 N ALA A 18 3.875 -11.071 -14.543 1.00 0.00 N ATOM 232 CA ALA A 18 5.261 -11.628 -14.573 1.00 0.00 C ATOM 233 C ALA A 18 6.163 -10.765 -15.475 1.00 0.00 C ATOM 234 O ALA A 18 7.194 -10.300 -15.030 1.00 0.00 O ATOM 235 CB ALA A 18 5.230 -13.071 -15.096 1.00 0.00 C ATOM 0 H ALA A 18 3.715 -10.280 -15.167 1.00 0.00 H new ATOM 0 HA ALA A 18 5.666 -11.620 -13.561 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.243 -13.473 -15.116 1.00 0.00 H new ATOM 0 HB2 ALA A 18 4.610 -13.682 -14.440 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.815 -13.084 -16.104 1.00 0.00 H new ATOM 241 N PRO A 19 5.762 -10.576 -16.719 1.00 0.00 N ATOM 242 CA PRO A 19 6.548 -9.772 -17.677 1.00 0.00 C ATOM 243 C PRO A 19 6.747 -8.348 -17.147 1.00 0.00 C ATOM 244 O PRO A 19 5.837 -7.742 -16.617 1.00 0.00 O ATOM 245 CB PRO A 19 5.714 -9.763 -18.967 1.00 0.00 C ATOM 246 CG PRO A 19 4.459 -10.639 -18.722 1.00 0.00 C ATOM 247 CD PRO A 19 4.509 -11.136 -17.268 1.00 0.00 C ATOM 0 HA PRO A 19 7.544 -10.184 -17.840 1.00 0.00 H new ATOM 0 HB2 PRO A 19 5.425 -8.745 -19.229 1.00 0.00 H new ATOM 0 HB3 PRO A 19 6.296 -10.154 -19.802 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.551 -10.063 -18.898 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.440 -11.482 -19.413 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.642 -10.793 -16.703 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.509 -12.225 -17.222 1.00 0.00 H new ATOM 255 N ALA A 20 7.936 -7.815 -17.287 1.00 0.00 N ATOM 256 CA ALA A 20 8.217 -6.432 -16.792 1.00 0.00 C ATOM 257 C ALA A 20 7.208 -5.441 -17.382 1.00 0.00 C ATOM 258 O ALA A 20 6.930 -4.409 -16.801 1.00 0.00 O ATOM 259 CB ALA A 20 9.632 -6.023 -17.208 1.00 0.00 C ATOM 0 H ALA A 20 8.729 -8.282 -17.726 1.00 0.00 H new ATOM 0 HA ALA A 20 8.131 -6.420 -15.705 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.840 -5.015 -16.849 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.353 -6.718 -16.777 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.712 -6.044 -18.295 1.00 0.00 H new ATOM 265 N GLU A 21 6.650 -5.747 -18.524 1.00 0.00 N ATOM 266 CA GLU A 21 5.653 -4.827 -19.142 1.00 0.00 C ATOM 267 C GLU A 21 4.361 -4.897 -18.332 1.00 0.00 C ATOM 268 O GLU A 21 3.550 -3.993 -18.352 1.00 0.00 O ATOM 269 CB GLU A 21 5.381 -5.259 -20.587 1.00 0.00 C ATOM 270 CG GLU A 21 5.480 -4.047 -21.519 1.00 0.00 C ATOM 271 CD GLU A 21 4.182 -3.235 -21.448 1.00 0.00 C ATOM 272 OE1 GLU A 21 3.287 -3.519 -22.226 1.00 0.00 O ATOM 273 OE2 GLU A 21 4.107 -2.346 -20.617 1.00 0.00 O ATOM 0 H GLU A 21 6.843 -6.596 -19.055 1.00 0.00 H new ATOM 0 HA GLU A 21 6.036 -3.807 -19.144 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.099 -6.021 -20.889 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.390 -5.707 -20.662 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.327 -3.423 -21.232 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.659 -4.376 -22.542 1.00 0.00 H new ATOM 280 N LYS A 22 4.176 -5.973 -17.615 1.00 0.00 N ATOM 281 CA LYS A 22 2.950 -6.132 -16.788 1.00 0.00 C ATOM 282 C LYS A 22 3.349 -6.250 -15.313 1.00 0.00 C ATOM 283 O LYS A 22 2.528 -6.530 -14.461 1.00 0.00 O ATOM 284 CB LYS A 22 2.205 -7.402 -17.220 1.00 0.00 C ATOM 285 CG LYS A 22 1.958 -7.374 -18.733 1.00 0.00 C ATOM 286 CD LYS A 22 0.888 -6.328 -19.063 1.00 0.00 C ATOM 287 CE LYS A 22 0.629 -6.315 -20.572 1.00 0.00 C ATOM 288 NZ LYS A 22 1.801 -5.718 -21.272 1.00 0.00 N ATOM 0 H LYS A 22 4.830 -6.755 -17.568 1.00 0.00 H new ATOM 0 HA LYS A 22 2.301 -5.267 -16.923 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.788 -8.284 -16.954 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.256 -7.475 -16.689 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.884 -7.139 -19.258 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.637 -8.357 -19.077 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.034 -6.555 -18.528 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.214 -5.342 -18.732 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.456 -7.330 -20.931 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.271 -5.741 -20.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.573 -5.584 -22.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.030 -4.799 -20.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.619 -6.354 -21.184 1.00 0.00 H new ATOM 302 N ILE A 23 4.606 -6.046 -15.007 1.00 0.00 N ATOM 303 CA ILE A 23 5.064 -6.156 -13.591 1.00 0.00 C ATOM 304 C ILE A 23 5.846 -4.897 -13.197 1.00 0.00 C ATOM 305 O ILE A 23 6.753 -4.473 -13.886 1.00 0.00 O ATOM 306 CB ILE A 23 5.955 -7.409 -13.443 1.00 0.00 C ATOM 307 CG1 ILE A 23 5.239 -8.443 -12.567 1.00 0.00 C ATOM 308 CG2 ILE A 23 7.308 -7.055 -12.811 1.00 0.00 C ATOM 309 CD1 ILE A 23 5.113 -7.921 -11.130 1.00 0.00 C ATOM 0 H ILE A 23 5.335 -5.808 -15.679 1.00 0.00 H new ATOM 0 HA ILE A 23 4.201 -6.248 -12.931 1.00 0.00 H new ATOM 0 HB ILE A 23 6.137 -7.820 -14.436 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.250 -8.653 -12.974 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.792 -9.382 -12.574 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.914 -7.957 -12.719 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.826 -6.332 -13.441 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.146 -6.624 -11.823 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.603 -8.664 -10.517 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.106 -7.734 -10.722 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.540 -6.994 -11.129 1.00 0.00 H new ATOM 321 N VAL A 24 5.506 -4.317 -12.076 1.00 0.00 N ATOM 322 CA VAL A 24 6.226 -3.101 -11.595 1.00 0.00 C ATOM 323 C VAL A 24 6.304 -3.175 -10.073 1.00 0.00 C ATOM 324 O VAL A 24 5.405 -3.680 -9.429 1.00 0.00 O ATOM 325 CB VAL A 24 5.473 -1.824 -11.995 1.00 0.00 C ATOM 326 CG1 VAL A 24 6.448 -0.643 -12.000 1.00 0.00 C ATOM 327 CG2 VAL A 24 4.863 -1.985 -13.393 1.00 0.00 C ATOM 0 H VAL A 24 4.753 -4.637 -11.467 1.00 0.00 H new ATOM 0 HA VAL A 24 7.219 -3.067 -12.042 1.00 0.00 H new ATOM 0 HB VAL A 24 4.673 -1.642 -11.277 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.917 0.266 -12.284 1.00 0.00 H new ATOM 0 HG12 VAL A 24 6.874 -0.519 -11.004 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.248 -0.834 -12.716 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.332 -1.073 -13.665 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.656 -2.173 -14.117 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.167 -2.824 -13.392 1.00 0.00 H new ATOM 337 N ASN A 25 7.362 -2.688 -9.489 1.00 0.00 N ATOM 338 CA ASN A 25 7.480 -2.742 -8.006 1.00 0.00 C ATOM 339 C ASN A 25 8.010 -1.409 -7.482 1.00 0.00 C ATOM 340 O ASN A 25 8.892 -0.803 -8.059 1.00 0.00 O ATOM 341 CB ASN A 25 8.431 -3.874 -7.616 1.00 0.00 C ATOM 342 CG ASN A 25 8.824 -3.738 -6.142 1.00 0.00 C ATOM 343 OD1 ASN A 25 8.159 -4.262 -5.271 1.00 0.00 O ATOM 344 ND2 ASN A 25 9.884 -3.049 -5.823 1.00 0.00 N ATOM 0 H ASN A 25 8.149 -2.256 -9.973 1.00 0.00 H new ATOM 0 HA ASN A 25 6.500 -2.928 -7.567 1.00 0.00 H new ATOM 0 HB2 ASN A 25 7.952 -4.838 -7.787 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.322 -3.845 -8.243 1.00 0.00 H new ATOM 0 HD21 ASN A 25 10.153 -2.951 -4.844 1.00 0.00 H new ATOM 0 HD22 ASN A 25 10.444 -2.608 -6.552 1.00 0.00 H new ATOM 351 N SER A 26 7.464 -0.950 -6.388 1.00 0.00 N ATOM 352 CA SER A 26 7.907 0.343 -5.804 1.00 0.00 C ATOM 353 C SER A 26 7.463 0.386 -4.331 1.00 0.00 C ATOM 354 O SER A 26 7.943 -0.387 -3.535 1.00 0.00 O ATOM 355 CB SER A 26 7.297 1.494 -6.626 1.00 0.00 C ATOM 356 OG SER A 26 7.115 2.643 -5.808 1.00 0.00 O ATOM 0 H SER A 26 6.723 -1.423 -5.871 1.00 0.00 H new ATOM 0 HA SER A 26 8.991 0.448 -5.838 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.949 1.736 -7.465 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.340 1.183 -7.046 1.00 0.00 H new ATOM 0 HG SER A 26 7.922 3.198 -5.840 1.00 0.00 H new ATOM 362 N ASN A 27 6.557 1.272 -3.979 1.00 0.00 N ATOM 363 CA ASN A 27 6.057 1.395 -2.561 1.00 0.00 C ATOM 364 C ASN A 27 5.865 0.018 -1.907 1.00 0.00 C ATOM 365 O ASN A 27 4.749 -0.424 -1.716 1.00 0.00 O ATOM 366 CB ASN A 27 4.703 2.119 -2.584 1.00 0.00 C ATOM 367 CG ASN A 27 4.109 2.158 -1.173 1.00 0.00 C ATOM 368 OD1 ASN A 27 2.906 2.195 -1.010 1.00 0.00 O ATOM 369 ND2 ASN A 27 4.905 2.148 -0.139 1.00 0.00 N ATOM 0 H ASN A 27 6.131 1.932 -4.629 1.00 0.00 H new ATOM 0 HA ASN A 27 6.796 1.949 -1.982 1.00 0.00 H new ATOM 0 HB2 ASN A 27 4.829 3.133 -2.963 1.00 0.00 H new ATOM 0 HB3 ASN A 27 4.019 1.608 -3.262 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.517 2.171 0.804 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.916 2.117 -0.274 1.00 0.00 H new ATOM 376 N GLY A 28 6.940 -0.654 -1.559 1.00 0.00 N ATOM 377 CA GLY A 28 6.832 -2.005 -0.925 1.00 0.00 C ATOM 378 C GLY A 28 5.642 -2.757 -1.524 1.00 0.00 C ATOM 379 O GLY A 28 5.003 -3.549 -0.860 1.00 0.00 O ATOM 0 H GLY A 28 7.895 -0.319 -1.689 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.751 -2.569 -1.087 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.706 -1.903 0.153 1.00 0.00 H new ATOM 383 N GLU A 29 5.326 -2.488 -2.768 1.00 0.00 N ATOM 384 CA GLU A 29 4.150 -3.160 -3.402 1.00 0.00 C ATOM 385 C GLU A 29 4.425 -3.445 -4.879 1.00 0.00 C ATOM 386 O GLU A 29 5.435 -3.050 -5.427 1.00 0.00 O ATOM 387 CB GLU A 29 2.927 -2.237 -3.298 1.00 0.00 C ATOM 388 CG GLU A 29 2.241 -2.421 -1.938 1.00 0.00 C ATOM 389 CD GLU A 29 1.713 -1.070 -1.440 1.00 0.00 C ATOM 390 OE1 GLU A 29 0.815 -0.536 -2.072 1.00 0.00 O ATOM 391 OE2 GLU A 29 2.214 -0.594 -0.435 1.00 0.00 O ATOM 0 H GLU A 29 5.829 -1.835 -3.369 1.00 0.00 H new ATOM 0 HA GLU A 29 3.965 -4.102 -2.885 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.234 -1.198 -3.421 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.225 -2.459 -4.101 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.420 -3.133 -2.027 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.946 -2.835 -1.217 1.00 0.00 H new ATOM 398 N LEU A 30 3.509 -4.127 -5.520 1.00 0.00 N ATOM 399 CA LEU A 30 3.664 -4.457 -6.966 1.00 0.00 C ATOM 400 C LEU A 30 2.473 -3.877 -7.737 1.00 0.00 C ATOM 401 O LEU A 30 1.352 -3.909 -7.273 1.00 0.00 O ATOM 402 CB LEU A 30 3.666 -5.980 -7.138 1.00 0.00 C ATOM 403 CG LEU A 30 5.073 -6.471 -7.488 1.00 0.00 C ATOM 404 CD1 LEU A 30 6.059 -6.043 -6.398 1.00 0.00 C ATOM 405 CD2 LEU A 30 5.070 -7.999 -7.590 1.00 0.00 C ATOM 0 H LEU A 30 2.649 -4.473 -5.094 1.00 0.00 H new ATOM 0 HA LEU A 30 4.598 -4.039 -7.342 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.324 -6.457 -6.220 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.967 -6.265 -7.924 1.00 0.00 H new ATOM 0 HG LEU A 30 5.375 -6.038 -8.441 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.059 -6.395 -6.653 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.066 -4.956 -6.321 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.755 -6.473 -5.443 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.072 -8.349 -7.839 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.763 -8.427 -6.636 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.373 -8.310 -8.368 1.00 0.00 H new ATOM 417 N TYR A 31 2.701 -3.360 -8.916 1.00 0.00 N ATOM 418 CA TYR A 31 1.571 -2.792 -9.715 1.00 0.00 C ATOM 419 C TYR A 31 1.732 -3.187 -11.183 1.00 0.00 C ATOM 420 O TYR A 31 2.792 -3.581 -11.627 1.00 0.00 O ATOM 421 CB TYR A 31 1.534 -1.250 -9.646 1.00 0.00 C ATOM 422 CG TYR A 31 2.373 -0.701 -8.510 1.00 0.00 C ATOM 423 CD1 TYR A 31 3.730 -1.028 -8.411 1.00 0.00 C ATOM 424 CD2 TYR A 31 1.792 0.160 -7.566 1.00 0.00 C ATOM 425 CE1 TYR A 31 4.499 -0.503 -7.374 1.00 0.00 C ATOM 426 CE2 TYR A 31 2.569 0.686 -6.527 1.00 0.00 C ATOM 427 CZ TYR A 31 3.919 0.353 -6.434 1.00 0.00 C ATOM 428 OH TYR A 31 4.678 0.869 -5.411 1.00 0.00 O ATOM 0 H TYR A 31 3.617 -3.306 -9.361 1.00 0.00 H new ATOM 0 HA TYR A 31 0.648 -3.190 -9.294 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.892 -0.838 -10.590 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.502 -0.919 -9.525 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.181 -1.687 -9.138 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.746 0.417 -7.641 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.546 -0.758 -7.297 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.123 1.348 -5.799 1.00 0.00 H new ATOM 0 HH TYR A 31 4.479 1.823 -5.305 1.00 0.00 H new ATOM 438 N HIS A 32 0.680 -3.039 -11.940 1.00 0.00 N ATOM 439 CA HIS A 32 0.729 -3.346 -13.396 1.00 0.00 C ATOM 440 C HIS A 32 1.145 -2.070 -14.113 1.00 0.00 C ATOM 441 O HIS A 32 1.405 -1.059 -13.490 1.00 0.00 O ATOM 442 CB HIS A 32 -0.668 -3.733 -13.894 1.00 0.00 C ATOM 443 CG HIS A 32 -0.863 -5.219 -13.830 1.00 0.00 C ATOM 444 ND1 HIS A 32 -1.686 -5.806 -12.890 1.00 0.00 N ATOM 445 CD2 HIS A 32 -0.377 -6.244 -14.600 1.00 0.00 C ATOM 446 CE1 HIS A 32 -1.675 -7.132 -13.112 1.00 0.00 C ATOM 447 NE2 HIS A 32 -0.894 -7.453 -14.145 1.00 0.00 N ATOM 0 H HIS A 32 -0.226 -2.713 -11.605 1.00 0.00 H new ATOM 0 HA HIS A 32 1.423 -4.165 -13.584 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -1.426 -3.236 -13.288 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -0.802 -3.388 -14.919 1.00 0.00 H new ATOM 0 HD2 HIS A 32 0.303 -6.130 -15.432 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -2.230 -7.849 -12.526 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -0.715 -8.384 -14.520 1.00 0.00 H new ATOM 455 N GLU A 33 1.178 -2.086 -15.411 1.00 0.00 N ATOM 456 CA GLU A 33 1.542 -0.847 -16.141 1.00 0.00 C ATOM 457 C GLU A 33 0.330 0.091 -16.146 1.00 0.00 C ATOM 458 O GLU A 33 0.380 1.186 -16.674 1.00 0.00 O ATOM 459 CB GLU A 33 1.952 -1.187 -17.578 1.00 0.00 C ATOM 460 CG GLU A 33 0.967 -2.203 -18.169 1.00 0.00 C ATOM 461 CD GLU A 33 1.084 -2.215 -19.695 1.00 0.00 C ATOM 462 OE1 GLU A 33 0.980 -1.154 -20.290 1.00 0.00 O ATOM 463 OE2 GLU A 33 1.269 -3.287 -20.246 1.00 0.00 O ATOM 0 H GLU A 33 0.971 -2.896 -15.995 1.00 0.00 H new ATOM 0 HA GLU A 33 2.384 -0.360 -15.649 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.966 -0.283 -18.186 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.963 -1.595 -17.591 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.174 -3.197 -17.772 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.051 -1.948 -17.876 1.00 0.00 H new ATOM 470 N GLN A 34 -0.758 -0.336 -15.555 1.00 0.00 N ATOM 471 CA GLN A 34 -1.981 0.515 -15.511 1.00 0.00 C ATOM 472 C GLN A 34 -2.805 0.158 -14.269 1.00 0.00 C ATOM 473 O GLN A 34 -4.002 -0.048 -14.339 1.00 0.00 O ATOM 474 CB GLN A 34 -2.815 0.279 -16.777 1.00 0.00 C ATOM 475 CG GLN A 34 -3.810 1.431 -16.964 1.00 0.00 C ATOM 476 CD GLN A 34 -5.165 0.874 -17.404 1.00 0.00 C ATOM 477 OE1 GLN A 34 -5.920 0.372 -16.596 1.00 0.00 O ATOM 478 NE2 GLN A 34 -5.508 0.941 -18.661 1.00 0.00 N ATOM 0 H GLN A 34 -0.849 -1.244 -15.099 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.695 1.566 -15.462 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.161 0.206 -17.646 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -3.350 -0.667 -16.700 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.919 1.985 -16.032 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.434 2.132 -17.710 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.875 1.362 -19.341 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.409 0.572 -18.964 1.00 0.00 H new ATOM 487 N CYS A 35 -2.168 0.099 -13.130 1.00 0.00 N ATOM 488 CA CYS A 35 -2.897 -0.228 -11.867 1.00 0.00 C ATOM 489 C CYS A 35 -2.473 0.765 -10.786 1.00 0.00 C ATOM 490 O CYS A 35 -3.177 0.976 -9.820 1.00 0.00 O ATOM 491 CB CYS A 35 -2.547 -1.645 -11.411 1.00 0.00 C ATOM 492 SG CYS A 35 -3.511 -2.862 -12.344 1.00 0.00 S ATOM 0 H CYS A 35 -1.168 0.264 -13.018 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.971 -0.165 -12.041 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.482 -1.828 -11.554 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.748 -1.751 -10.345 1.00 0.00 H new ATOM 497 N PHE A 36 -1.321 1.369 -10.950 1.00 0.00 N ATOM 498 CA PHE A 36 -0.827 2.357 -9.944 1.00 0.00 C ATOM 499 C PHE A 36 -1.998 3.197 -9.422 1.00 0.00 C ATOM 500 O PHE A 36 -2.622 3.932 -10.163 1.00 0.00 O ATOM 501 CB PHE A 36 0.205 3.271 -10.605 1.00 0.00 C ATOM 502 CG PHE A 36 1.545 2.582 -10.633 1.00 0.00 C ATOM 503 CD1 PHE A 36 1.782 1.538 -11.530 1.00 0.00 C ATOM 504 CD2 PHE A 36 2.550 2.989 -9.756 1.00 0.00 C ATOM 505 CE1 PHE A 36 3.029 0.902 -11.548 1.00 0.00 C ATOM 506 CE2 PHE A 36 3.795 2.356 -9.770 1.00 0.00 C ATOM 507 CZ PHE A 36 4.036 1.313 -10.666 1.00 0.00 C ATOM 0 H PHE A 36 -0.699 1.218 -11.744 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.369 1.828 -9.108 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.110 3.518 -11.619 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.279 4.210 -10.056 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.004 1.222 -12.209 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.365 3.797 -9.063 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.214 0.095 -12.242 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.570 2.673 -9.088 1.00 0.00 H new ATOM 0 HZ PHE A 36 4.999 0.823 -10.679 1.00 0.00 H new ATOM 517 N VAL A 37 -2.314 3.075 -8.155 1.00 0.00 N ATOM 518 CA VAL A 37 -3.461 3.849 -7.585 1.00 0.00 C ATOM 519 C VAL A 37 -2.975 4.833 -6.519 1.00 0.00 C ATOM 520 O VAL A 37 -1.882 4.727 -6.007 1.00 0.00 O ATOM 521 CB VAL A 37 -4.470 2.892 -6.938 1.00 0.00 C ATOM 522 CG1 VAL A 37 -5.598 2.584 -7.926 1.00 0.00 C ATOM 523 CG2 VAL A 37 -3.776 1.585 -6.543 1.00 0.00 C ATOM 0 H VAL A 37 -1.827 2.473 -7.491 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.932 4.399 -8.400 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.882 3.366 -6.047 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.312 1.904 -7.462 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.104 3.510 -8.201 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.182 2.119 -8.820 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.501 0.912 -6.085 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.355 1.114 -7.431 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.978 1.797 -5.832 1.00 0.00 H new ATOM 533 N CYS A 38 -3.804 5.782 -6.176 1.00 0.00 N ATOM 534 CA CYS A 38 -3.430 6.781 -5.133 1.00 0.00 C ATOM 535 C CYS A 38 -3.672 6.171 -3.752 1.00 0.00 C ATOM 536 O CYS A 38 -4.771 5.767 -3.429 1.00 0.00 O ATOM 537 CB CYS A 38 -4.303 8.029 -5.296 1.00 0.00 C ATOM 538 SG CYS A 38 -3.695 9.372 -4.237 1.00 0.00 S ATOM 0 H CYS A 38 -4.733 5.909 -6.578 1.00 0.00 H new ATOM 0 HA CYS A 38 -2.380 7.053 -5.238 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.299 8.349 -6.338 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.336 7.794 -5.039 1.00 0.00 H new ATOM 543 N ALA A 39 -2.659 6.098 -2.936 1.00 0.00 N ATOM 544 CA ALA A 39 -2.832 5.513 -1.572 1.00 0.00 C ATOM 545 C ALA A 39 -3.947 6.259 -0.823 1.00 0.00 C ATOM 546 O ALA A 39 -4.366 5.853 0.244 1.00 0.00 O ATOM 547 CB ALA A 39 -1.521 5.644 -0.791 1.00 0.00 C ATOM 0 H ALA A 39 -1.715 6.418 -3.153 1.00 0.00 H new ATOM 0 HA ALA A 39 -3.101 4.461 -1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.646 5.218 0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.729 5.111 -1.317 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.253 6.697 -0.703 1.00 0.00 H new ATOM 553 N GLN A 40 -4.423 7.349 -1.373 1.00 0.00 N ATOM 554 CA GLN A 40 -5.503 8.129 -0.697 1.00 0.00 C ATOM 555 C GLN A 40 -6.810 8.021 -1.495 1.00 0.00 C ATOM 556 O GLN A 40 -7.785 7.467 -1.026 1.00 0.00 O ATOM 557 CB GLN A 40 -5.082 9.599 -0.607 1.00 0.00 C ATOM 558 CG GLN A 40 -3.728 9.703 0.101 1.00 0.00 C ATOM 559 CD GLN A 40 -3.250 11.156 0.086 1.00 0.00 C ATOM 560 OE1 GLN A 40 -3.815 12.001 0.751 1.00 0.00 O ATOM 561 NE2 GLN A 40 -2.227 11.486 -0.651 1.00 0.00 N ATOM 0 H GLN A 40 -4.108 7.732 -2.264 1.00 0.00 H new ATOM 0 HA GLN A 40 -5.663 7.727 0.303 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -5.016 10.031 -1.606 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -5.834 10.170 -0.062 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.816 9.349 1.128 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -2.997 9.064 -0.395 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.751 10.778 -1.210 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.902 12.453 -0.669 1.00 0.00 H new ATOM 570 N CYS A 41 -6.842 8.556 -2.691 1.00 0.00 N ATOM 571 CA CYS A 41 -8.092 8.494 -3.511 1.00 0.00 C ATOM 572 C CYS A 41 -8.186 7.147 -4.235 1.00 0.00 C ATOM 573 O CYS A 41 -9.207 6.809 -4.800 1.00 0.00 O ATOM 574 CB CYS A 41 -8.086 9.626 -4.543 1.00 0.00 C ATOM 575 SG CYS A 41 -6.925 9.232 -5.876 1.00 0.00 S ATOM 0 H CYS A 41 -6.057 9.033 -3.135 1.00 0.00 H new ATOM 0 HA CYS A 41 -8.952 8.603 -2.850 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -9.088 9.765 -4.950 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.802 10.564 -4.066 1.00 0.00 H new ATOM 580 N PHE A 42 -7.127 6.379 -4.220 1.00 0.00 N ATOM 581 CA PHE A 42 -7.142 5.049 -4.903 1.00 0.00 C ATOM 582 C PHE A 42 -7.440 5.231 -6.395 1.00 0.00 C ATOM 583 O PHE A 42 -7.954 4.341 -7.046 1.00 0.00 O ATOM 584 CB PHE A 42 -8.208 4.148 -4.267 1.00 0.00 C ATOM 585 CG PHE A 42 -8.149 4.275 -2.760 1.00 0.00 C ATOM 586 CD1 PHE A 42 -6.973 3.945 -2.074 1.00 0.00 C ATOM 587 CD2 PHE A 42 -9.270 4.721 -2.050 1.00 0.00 C ATOM 588 CE1 PHE A 42 -6.919 4.062 -0.680 1.00 0.00 C ATOM 589 CE2 PHE A 42 -9.216 4.838 -0.656 1.00 0.00 C ATOM 590 CZ PHE A 42 -8.040 4.509 0.029 1.00 0.00 C ATOM 0 H PHE A 42 -6.247 6.617 -3.762 1.00 0.00 H new ATOM 0 HA PHE A 42 -6.164 4.581 -4.789 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -9.198 4.429 -4.627 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.044 3.111 -4.561 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.108 3.600 -2.621 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -10.177 4.975 -2.578 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -6.012 3.807 -0.152 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -10.081 5.182 -0.109 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.998 4.600 1.104 1.00 0.00 H new ATOM 600 N GLN A 43 -7.113 6.372 -6.944 1.00 0.00 N ATOM 601 CA GLN A 43 -7.369 6.603 -8.396 1.00 0.00 C ATOM 602 C GLN A 43 -6.316 5.856 -9.209 1.00 0.00 C ATOM 603 O GLN A 43 -5.130 6.051 -9.025 1.00 0.00 O ATOM 604 CB GLN A 43 -7.273 8.100 -8.714 1.00 0.00 C ATOM 605 CG GLN A 43 -8.619 8.778 -8.451 1.00 0.00 C ATOM 606 CD GLN A 43 -9.642 8.315 -9.492 1.00 0.00 C ATOM 607 OE1 GLN A 43 -9.660 8.806 -10.603 1.00 0.00 O ATOM 608 NE2 GLN A 43 -10.502 7.386 -9.178 1.00 0.00 N ATOM 0 H GLN A 43 -6.680 7.153 -6.450 1.00 0.00 H new ATOM 0 HA GLN A 43 -8.367 6.245 -8.647 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -6.498 8.561 -8.102 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -6.983 8.241 -9.755 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -8.970 8.534 -7.448 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -8.506 9.861 -8.495 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -10.488 6.973 -8.246 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -11.188 7.073 -9.865 1.00 0.00 H new ATOM 617 N GLN A 44 -6.740 5.009 -10.111 1.00 0.00 N ATOM 618 CA GLN A 44 -5.767 4.252 -10.945 1.00 0.00 C ATOM 619 C GLN A 44 -5.044 5.225 -11.876 1.00 0.00 C ATOM 620 O GLN A 44 -5.465 6.351 -12.058 1.00 0.00 O ATOM 621 CB GLN A 44 -6.498 3.190 -11.779 1.00 0.00 C ATOM 622 CG GLN A 44 -7.974 3.571 -11.964 1.00 0.00 C ATOM 623 CD GLN A 44 -8.799 3.046 -10.784 1.00 0.00 C ATOM 624 OE1 GLN A 44 -8.846 1.857 -10.543 1.00 0.00 O ATOM 625 NE2 GLN A 44 -9.457 3.889 -10.037 1.00 0.00 N ATOM 0 H GLN A 44 -7.722 4.810 -10.304 1.00 0.00 H new ATOM 0 HA GLN A 44 -5.047 3.754 -10.296 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.018 3.090 -12.752 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.426 2.220 -11.287 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.073 4.654 -12.035 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -8.352 3.154 -12.898 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -9.418 4.888 -10.239 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.011 3.549 -9.251 1.00 0.00 H new ATOM 634 N PHE A 45 -3.955 4.806 -12.459 1.00 0.00 N ATOM 635 CA PHE A 45 -3.204 5.714 -13.366 1.00 0.00 C ATOM 636 C PHE A 45 -2.313 4.890 -14.307 1.00 0.00 C ATOM 637 O PHE A 45 -1.543 4.065 -13.853 1.00 0.00 O ATOM 638 CB PHE A 45 -2.332 6.645 -12.519 1.00 0.00 C ATOM 639 CG PHE A 45 -2.324 8.026 -13.126 1.00 0.00 C ATOM 640 CD1 PHE A 45 -1.498 8.298 -14.220 1.00 0.00 C ATOM 641 CD2 PHE A 45 -3.140 9.035 -12.594 1.00 0.00 C ATOM 642 CE1 PHE A 45 -1.484 9.577 -14.788 1.00 0.00 C ATOM 643 CE2 PHE A 45 -3.126 10.315 -13.161 1.00 0.00 C ATOM 644 CZ PHE A 45 -2.297 10.586 -14.258 1.00 0.00 C ATOM 0 H PHE A 45 -3.554 3.875 -12.346 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.903 6.299 -13.963 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.713 6.688 -11.499 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.315 6.256 -12.463 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.870 7.520 -14.628 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.778 8.825 -11.748 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.847 9.785 -15.635 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.754 11.093 -12.753 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.285 11.574 -14.695 1.00 0.00 H new ATOM 654 N PRO A 46 -2.440 5.141 -15.594 1.00 0.00 N ATOM 655 CA PRO A 46 -1.644 4.434 -16.617 1.00 0.00 C ATOM 656 C PRO A 46 -0.154 4.777 -16.463 1.00 0.00 C ATOM 657 O PRO A 46 0.302 5.119 -15.390 1.00 0.00 O ATOM 658 CB PRO A 46 -2.182 4.952 -17.959 1.00 0.00 C ATOM 659 CG PRO A 46 -3.233 6.049 -17.656 1.00 0.00 C ATOM 660 CD PRO A 46 -3.387 6.137 -16.130 1.00 0.00 C ATOM 0 HA PRO A 46 -1.728 3.350 -16.533 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.371 5.357 -18.565 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.632 4.139 -18.530 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.914 7.008 -18.064 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.187 5.805 -18.124 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.155 7.138 -15.767 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.409 5.915 -15.823 1.00 0.00 H new ATOM 668 N GLU A 47 0.601 4.684 -17.531 1.00 0.00 N ATOM 669 CA GLU A 47 2.065 4.999 -17.474 1.00 0.00 C ATOM 670 C GLU A 47 2.809 3.910 -16.693 1.00 0.00 C ATOM 671 O GLU A 47 3.983 3.678 -16.908 1.00 0.00 O ATOM 672 CB GLU A 47 2.295 6.361 -16.796 1.00 0.00 C ATOM 673 CG GLU A 47 1.297 7.397 -17.332 1.00 0.00 C ATOM 674 CD GLU A 47 1.351 7.427 -18.863 1.00 0.00 C ATOM 675 OE1 GLU A 47 2.347 7.892 -19.392 1.00 0.00 O ATOM 676 OE2 GLU A 47 0.394 6.986 -19.479 1.00 0.00 O ATOM 0 H GLU A 47 0.262 4.400 -18.450 1.00 0.00 H new ATOM 0 HA GLU A 47 2.447 5.039 -18.494 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.182 6.261 -15.716 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.315 6.699 -16.980 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.289 7.150 -16.999 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.532 8.383 -16.931 1.00 0.00 H new ATOM 683 N GLY A 48 2.141 3.242 -15.789 1.00 0.00 N ATOM 684 CA GLY A 48 2.814 2.171 -14.996 1.00 0.00 C ATOM 685 C GLY A 48 3.803 2.804 -14.016 1.00 0.00 C ATOM 686 O GLY A 48 4.652 2.135 -13.464 1.00 0.00 O ATOM 0 H GLY A 48 1.157 3.392 -15.565 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.072 1.586 -14.453 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.336 1.484 -15.662 1.00 0.00 H new ATOM 690 N LEU A 49 3.696 4.091 -13.801 1.00 0.00 N ATOM 691 CA LEU A 49 4.626 4.779 -12.860 1.00 0.00 C ATOM 692 C LEU A 49 4.227 6.254 -12.742 1.00 0.00 C ATOM 693 O LEU A 49 4.616 7.075 -13.551 1.00 0.00 O ATOM 694 CB LEU A 49 6.066 4.682 -13.390 1.00 0.00 C ATOM 695 CG LEU A 49 7.060 4.942 -12.251 1.00 0.00 C ATOM 696 CD1 LEU A 49 8.352 4.165 -12.511 1.00 0.00 C ATOM 697 CD2 LEU A 49 7.376 6.441 -12.175 1.00 0.00 C ATOM 0 H LEU A 49 3.001 4.695 -14.239 1.00 0.00 H new ATOM 0 HA LEU A 49 4.569 4.302 -11.882 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.240 3.695 -13.818 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.218 5.407 -14.190 1.00 0.00 H new ATOM 0 HG LEU A 49 6.621 4.615 -11.309 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.057 4.351 -11.701 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.131 3.099 -12.563 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.789 4.491 -13.455 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.082 6.623 -11.365 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.813 6.769 -13.118 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.458 6.997 -11.988 1.00 0.00 H new ATOM 709 N PHE A 50 3.463 6.599 -11.738 1.00 0.00 N ATOM 710 CA PHE A 50 3.054 8.024 -11.568 1.00 0.00 C ATOM 711 C PHE A 50 3.851 8.636 -10.410 1.00 0.00 C ATOM 712 O PHE A 50 5.063 8.711 -10.463 1.00 0.00 O ATOM 713 CB PHE A 50 1.539 8.118 -11.306 1.00 0.00 C ATOM 714 CG PHE A 50 1.086 7.212 -10.166 1.00 0.00 C ATOM 715 CD1 PHE A 50 2.006 6.612 -9.289 1.00 0.00 C ATOM 716 CD2 PHE A 50 -0.285 6.995 -9.980 1.00 0.00 C ATOM 717 CE1 PHE A 50 1.549 5.804 -8.242 1.00 0.00 C ATOM 718 CE2 PHE A 50 -0.736 6.184 -8.934 1.00 0.00 C ATOM 719 CZ PHE A 50 0.182 5.590 -8.065 1.00 0.00 C ATOM 0 H PHE A 50 3.106 5.957 -11.030 1.00 0.00 H new ATOM 0 HA PHE A 50 3.267 8.580 -12.481 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.277 9.150 -11.072 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.999 7.851 -12.214 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.065 6.775 -9.423 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.997 7.456 -10.648 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.257 5.344 -7.568 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.794 6.017 -8.798 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.166 4.965 -7.256 1.00 0.00 H new ATOM 729 N TYR A 51 3.195 9.057 -9.360 1.00 0.00 N ATOM 730 CA TYR A 51 3.938 9.636 -8.207 1.00 0.00 C ATOM 731 C TYR A 51 4.092 8.559 -7.130 1.00 0.00 C ATOM 732 O TYR A 51 3.883 8.796 -5.953 1.00 0.00 O ATOM 733 CB TYR A 51 3.173 10.845 -7.657 1.00 0.00 C ATOM 734 CG TYR A 51 3.973 12.100 -7.915 1.00 0.00 C ATOM 735 CD1 TYR A 51 5.081 12.399 -7.113 1.00 0.00 C ATOM 736 CD2 TYR A 51 3.611 12.963 -8.957 1.00 0.00 C ATOM 737 CE1 TYR A 51 5.825 13.559 -7.350 1.00 0.00 C ATOM 738 CE2 TYR A 51 4.355 14.124 -9.194 1.00 0.00 C ATOM 739 CZ TYR A 51 5.462 14.424 -8.390 1.00 0.00 C ATOM 740 OH TYR A 51 6.195 15.569 -8.624 1.00 0.00 O ATOM 0 H TYR A 51 2.181 9.024 -9.253 1.00 0.00 H new ATOM 0 HA TYR A 51 4.926 9.970 -8.524 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.195 10.919 -8.133 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.999 10.724 -6.588 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.361 11.733 -6.310 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.758 12.732 -9.577 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.680 13.788 -6.731 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.076 14.789 -9.997 1.00 0.00 H new ATOM 0 HH TYR A 51 5.809 16.055 -9.382 1.00 0.00 H new ATOM 750 N GLU A 52 4.463 7.371 -7.532 1.00 0.00 N ATOM 751 CA GLU A 52 4.641 6.262 -6.554 1.00 0.00 C ATOM 752 C GLU A 52 5.934 6.492 -5.763 1.00 0.00 C ATOM 753 O GLU A 52 6.772 7.283 -6.150 1.00 0.00 O ATOM 754 CB GLU A 52 4.702 4.919 -7.307 1.00 0.00 C ATOM 755 CG GLU A 52 6.121 4.662 -7.829 1.00 0.00 C ATOM 756 CD GLU A 52 6.510 5.757 -8.828 1.00 0.00 C ATOM 757 OE1 GLU A 52 5.685 6.092 -9.662 1.00 0.00 O ATOM 758 OE2 GLU A 52 7.627 6.240 -8.741 1.00 0.00 O ATOM 0 H GLU A 52 4.651 7.122 -8.503 1.00 0.00 H new ATOM 0 HA GLU A 52 3.800 6.237 -5.861 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.400 4.109 -6.643 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.998 4.929 -8.139 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.827 4.646 -6.999 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.171 3.684 -8.308 1.00 0.00 H new ATOM 765 N PHE A 53 6.103 5.810 -4.661 1.00 0.00 N ATOM 766 CA PHE A 53 7.346 5.994 -3.848 1.00 0.00 C ATOM 767 C PHE A 53 7.542 4.784 -2.935 1.00 0.00 C ATOM 768 O PHE A 53 6.594 4.220 -2.431 1.00 0.00 O ATOM 769 CB PHE A 53 7.226 7.270 -3.002 1.00 0.00 C ATOM 770 CG PHE A 53 7.943 8.410 -3.692 1.00 0.00 C ATOM 771 CD1 PHE A 53 9.338 8.392 -3.810 1.00 0.00 C ATOM 772 CD2 PHE A 53 7.210 9.485 -4.216 1.00 0.00 C ATOM 773 CE1 PHE A 53 10.000 9.446 -4.450 1.00 0.00 C ATOM 774 CE2 PHE A 53 7.875 10.538 -4.855 1.00 0.00 C ATOM 775 CZ PHE A 53 9.269 10.519 -4.972 1.00 0.00 C ATOM 0 H PHE A 53 5.437 5.134 -4.287 1.00 0.00 H new ATOM 0 HA PHE A 53 8.204 6.086 -4.513 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.176 7.524 -2.856 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.654 7.104 -2.013 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.903 7.565 -3.407 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.134 9.500 -4.127 1.00 0.00 H new ATOM 0 HE1 PHE A 53 11.076 9.431 -4.541 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.311 11.366 -5.258 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.781 11.332 -5.465 1.00 0.00 H new ATOM 785 N GLU A 54 8.770 4.381 -2.717 1.00 0.00 N ATOM 786 CA GLU A 54 9.035 3.193 -1.847 1.00 0.00 C ATOM 787 C GLU A 54 8.361 3.376 -0.487 1.00 0.00 C ATOM 788 O GLU A 54 7.997 2.417 0.167 1.00 0.00 O ATOM 789 CB GLU A 54 10.546 3.036 -1.650 1.00 0.00 C ATOM 790 CG GLU A 54 11.126 2.175 -2.775 1.00 0.00 C ATOM 791 CD GLU A 54 12.624 1.971 -2.543 1.00 0.00 C ATOM 792 OE1 GLU A 54 13.390 2.826 -2.956 1.00 0.00 O ATOM 793 OE2 GLU A 54 12.981 0.963 -1.954 1.00 0.00 O ATOM 0 H GLU A 54 9.602 4.825 -3.105 1.00 0.00 H new ATOM 0 HA GLU A 54 8.630 2.302 -2.327 1.00 0.00 H new ATOM 0 HB2 GLU A 54 11.025 4.015 -1.644 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.751 2.575 -0.684 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.618 1.211 -2.808 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.959 2.657 -3.738 1.00 0.00 H new ATOM 800 N GLY A 55 8.173 4.593 -0.069 1.00 0.00 N ATOM 801 CA GLY A 55 7.500 4.837 1.239 1.00 0.00 C ATOM 802 C GLY A 55 5.992 4.665 1.051 1.00 0.00 C ATOM 803 O GLY A 55 5.336 3.968 1.800 1.00 0.00 O ATOM 0 H GLY A 55 8.456 5.432 -0.575 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.870 4.139 1.991 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.724 5.841 1.598 1.00 0.00 H new ATOM 807 N ARG A 56 5.448 5.292 0.041 1.00 0.00 N ATOM 808 CA ARG A 56 3.986 5.177 -0.241 1.00 0.00 C ATOM 809 C ARG A 56 3.760 5.448 -1.730 1.00 0.00 C ATOM 810 O ARG A 56 4.611 6.006 -2.392 1.00 0.00 O ATOM 811 CB ARG A 56 3.209 6.197 0.596 1.00 0.00 C ATOM 812 CG ARG A 56 2.552 5.498 1.792 1.00 0.00 C ATOM 813 CD ARG A 56 1.183 4.943 1.384 1.00 0.00 C ATOM 814 NE ARG A 56 1.350 3.590 0.775 1.00 0.00 N ATOM 815 CZ ARG A 56 0.321 2.798 0.628 1.00 0.00 C ATOM 816 NH1 ARG A 56 -0.865 3.180 1.015 1.00 0.00 N ATOM 817 NH2 ARG A 56 0.479 1.620 0.092 1.00 0.00 N ATOM 0 H ARG A 56 5.962 5.887 -0.609 1.00 0.00 H new ATOM 0 HA ARG A 56 3.634 4.178 0.017 1.00 0.00 H new ATOM 0 HB2 ARG A 56 3.881 6.981 0.946 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.448 6.680 -0.017 1.00 0.00 H new ATOM 0 HG2 ARG A 56 3.191 4.689 2.148 1.00 0.00 H new ATOM 0 HG3 ARG A 56 2.438 6.201 2.617 1.00 0.00 H new ATOM 0 HD2 ARG A 56 0.530 4.882 2.255 1.00 0.00 H new ATOM 0 HD3 ARG A 56 0.704 5.616 0.673 1.00 0.00 H new ATOM 0 HE ARG A 56 2.274 3.282 0.472 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -0.992 4.101 1.435 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -1.665 2.558 0.898 1.00 0.00 H new ATOM 0 HH21 ARG A 56 1.405 1.318 -0.212 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.323 1.001 -0.023 1.00 0.00 H new ATOM 831 N LYS A 57 2.630 5.071 -2.270 1.00 0.00 N ATOM 832 CA LYS A 57 2.388 5.328 -3.720 1.00 0.00 C ATOM 833 C LYS A 57 1.243 6.336 -3.888 1.00 0.00 C ATOM 834 O LYS A 57 0.234 6.267 -3.214 1.00 0.00 O ATOM 835 CB LYS A 57 2.095 3.996 -4.439 1.00 0.00 C ATOM 836 CG LYS A 57 0.604 3.840 -4.750 1.00 0.00 C ATOM 837 CD LYS A 57 -0.122 3.282 -3.525 1.00 0.00 C ATOM 838 CE LYS A 57 -1.524 2.846 -3.937 1.00 0.00 C ATOM 839 NZ LYS A 57 -2.030 1.822 -2.979 1.00 0.00 N ATOM 0 H LYS A 57 1.872 4.601 -1.775 1.00 0.00 H new ATOM 0 HA LYS A 57 3.277 5.764 -4.175 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.667 3.948 -5.365 1.00 0.00 H new ATOM 0 HB3 LYS A 57 2.426 3.165 -3.816 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.178 4.804 -5.030 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.468 3.172 -5.601 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.429 2.437 -3.113 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.177 4.039 -2.743 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.193 3.706 -3.953 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.507 2.437 -4.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.170 0.920 -3.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.338 1.691 -2.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.935 2.140 -2.577 1.00 0.00 H new ATOM 853 N TYR A 58 1.407 7.282 -4.782 1.00 0.00 N ATOM 854 CA TYR A 58 0.345 8.312 -5.002 1.00 0.00 C ATOM 855 C TYR A 58 0.276 8.674 -6.482 1.00 0.00 C ATOM 856 O TYR A 58 1.240 8.544 -7.210 1.00 0.00 O ATOM 857 CB TYR A 58 0.691 9.591 -4.233 1.00 0.00 C ATOM 858 CG TYR A 58 0.887 9.288 -2.769 1.00 0.00 C ATOM 859 CD1 TYR A 58 -0.222 9.112 -1.934 1.00 0.00 C ATOM 860 CD2 TYR A 58 2.182 9.209 -2.247 1.00 0.00 C ATOM 861 CE1 TYR A 58 -0.031 8.852 -0.571 1.00 0.00 C ATOM 862 CE2 TYR A 58 2.372 8.955 -0.888 1.00 0.00 C ATOM 863 CZ TYR A 58 1.266 8.776 -0.048 1.00 0.00 C ATOM 864 OH TYR A 58 1.452 8.525 1.296 1.00 0.00 O ATOM 0 H TYR A 58 2.234 7.384 -5.370 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.605 7.903 -4.659 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.598 10.035 -4.643 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.107 10.324 -4.356 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.221 9.176 -2.339 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.035 9.345 -2.896 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -0.884 8.710 0.076 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.372 8.896 -0.484 1.00 0.00 H new ATOM 0 HH TYR A 58 0.711 7.979 1.632 1.00 0.00 H new ATOM 874 N CYS A 59 -0.847 9.173 -6.922 1.00 0.00 N ATOM 875 CA CYS A 59 -0.964 9.593 -8.343 1.00 0.00 C ATOM 876 C CYS A 59 -0.646 11.081 -8.416 1.00 0.00 C ATOM 877 O CYS A 59 -0.476 11.736 -7.403 1.00 0.00 O ATOM 878 CB CYS A 59 -2.383 9.341 -8.861 1.00 0.00 C ATOM 879 SG CYS A 59 -3.592 10.045 -7.713 1.00 0.00 S ATOM 0 H CYS A 59 -1.686 9.307 -6.358 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.272 9.020 -8.960 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -2.504 9.787 -9.848 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -2.554 8.270 -8.972 1.00 0.00 H new ATOM 884 N GLU A 60 -0.563 11.628 -9.593 1.00 0.00 N ATOM 885 CA GLU A 60 -0.255 13.080 -9.711 1.00 0.00 C ATOM 886 C GLU A 60 -1.444 13.898 -9.195 1.00 0.00 C ATOM 887 O GLU A 60 -1.497 15.092 -9.370 1.00 0.00 O ATOM 888 CB GLU A 60 0.011 13.424 -11.180 1.00 0.00 C ATOM 889 CG GLU A 60 0.811 14.730 -11.269 1.00 0.00 C ATOM 890 CD GLU A 60 1.801 14.646 -12.433 1.00 0.00 C ATOM 891 OE1 GLU A 60 2.853 14.055 -12.250 1.00 0.00 O ATOM 892 OE2 GLU A 60 1.491 15.175 -13.489 1.00 0.00 O ATOM 0 H GLU A 60 -0.694 11.136 -10.477 1.00 0.00 H new ATOM 0 HA GLU A 60 0.628 13.317 -9.118 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.563 12.615 -11.659 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.933 13.527 -11.716 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.135 15.573 -11.413 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.346 14.905 -10.335 1.00 0.00 H new ATOM 899 N HIS A 61 -2.400 13.266 -8.559 1.00 0.00 N ATOM 900 CA HIS A 61 -3.577 14.026 -8.040 1.00 0.00 C ATOM 901 C HIS A 61 -3.262 14.589 -6.648 1.00 0.00 C ATOM 902 O HIS A 61 -3.108 15.781 -6.474 1.00 0.00 O ATOM 903 CB HIS A 61 -4.803 13.092 -7.983 1.00 0.00 C ATOM 904 CG HIS A 61 -5.550 13.274 -6.684 1.00 0.00 C ATOM 905 ND1 HIS A 61 -5.660 12.262 -5.734 1.00 0.00 N ATOM 906 CD2 HIS A 61 -6.218 14.353 -6.158 1.00 0.00 C ATOM 907 CE1 HIS A 61 -6.368 12.757 -4.702 1.00 0.00 C ATOM 908 NE2 HIS A 61 -6.731 14.024 -4.909 1.00 0.00 N ATOM 0 H HIS A 61 -2.416 12.262 -8.378 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.798 14.860 -8.706 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -5.466 13.302 -8.822 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -4.482 12.055 -8.082 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -6.328 15.312 -6.642 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -6.613 12.196 -3.813 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.270 14.623 -4.284 1.00 0.00 H new ATOM 916 N ASP A 62 -3.172 13.749 -5.653 1.00 0.00 N ATOM 917 CA ASP A 62 -2.874 14.251 -4.283 1.00 0.00 C ATOM 918 C ASP A 62 -1.515 14.942 -4.287 1.00 0.00 C ATOM 919 O ASP A 62 -1.271 15.870 -3.540 1.00 0.00 O ATOM 920 CB ASP A 62 -2.831 13.071 -3.305 1.00 0.00 C ATOM 921 CG ASP A 62 -3.982 13.188 -2.301 1.00 0.00 C ATOM 922 OD1 ASP A 62 -4.012 14.169 -1.575 1.00 0.00 O ATOM 923 OD2 ASP A 62 -4.809 12.295 -2.272 1.00 0.00 O ATOM 0 H ASP A 62 -3.292 12.739 -5.730 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.648 14.954 -3.977 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.907 12.131 -3.851 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.877 13.058 -2.778 1.00 0.00 H new ATOM 928 N PHE A 63 -0.627 14.472 -5.113 1.00 0.00 N ATOM 929 CA PHE A 63 0.734 15.054 -5.167 1.00 0.00 C ATOM 930 C PHE A 63 0.758 16.368 -5.955 1.00 0.00 C ATOM 931 O PHE A 63 1.462 17.288 -5.580 1.00 0.00 O ATOM 932 CB PHE A 63 1.671 14.015 -5.761 1.00 0.00 C ATOM 933 CG PHE A 63 2.355 13.324 -4.611 1.00 0.00 C ATOM 934 CD1 PHE A 63 1.586 12.673 -3.639 1.00 0.00 C ATOM 935 CD2 PHE A 63 3.738 13.354 -4.500 1.00 0.00 C ATOM 936 CE1 PHE A 63 2.211 12.048 -2.557 1.00 0.00 C ATOM 937 CE2 PHE A 63 4.367 12.724 -3.421 1.00 0.00 C ATOM 938 CZ PHE A 63 3.603 12.070 -2.450 1.00 0.00 C ATOM 0 H PHE A 63 -0.791 13.700 -5.760 1.00 0.00 H new ATOM 0 HA PHE A 63 1.066 15.308 -4.160 1.00 0.00 H new ATOM 0 HB2 PHE A 63 1.116 13.298 -6.366 1.00 0.00 H new ATOM 0 HB3 PHE A 63 2.403 14.487 -6.417 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.510 12.654 -3.726 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.329 13.864 -5.247 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.618 11.549 -1.805 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.444 12.743 -3.338 1.00 0.00 H new ATOM 0 HZ PHE A 63 4.089 11.582 -1.618 1.00 0.00 H new ATOM 948 N GLN A 64 -0.005 16.507 -7.015 1.00 0.00 N ATOM 949 CA GLN A 64 0.023 17.818 -7.734 1.00 0.00 C ATOM 950 C GLN A 64 -0.631 18.862 -6.833 1.00 0.00 C ATOM 951 O GLN A 64 -0.364 20.043 -6.931 1.00 0.00 O ATOM 952 CB GLN A 64 -0.723 17.742 -9.070 1.00 0.00 C ATOM 953 CG GLN A 64 -2.235 17.657 -8.831 1.00 0.00 C ATOM 954 CD GLN A 64 -2.967 17.567 -10.173 1.00 0.00 C ATOM 955 OE1 GLN A 64 -3.706 16.633 -10.414 1.00 0.00 O ATOM 956 NE2 GLN A 64 -2.791 18.505 -11.063 1.00 0.00 N ATOM 0 H GLN A 64 -0.625 15.795 -7.402 1.00 0.00 H new ATOM 0 HA GLN A 64 1.056 18.086 -7.954 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -0.492 18.620 -9.674 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.387 16.871 -9.633 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -2.468 16.785 -8.220 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.575 18.533 -8.279 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -2.171 19.289 -10.861 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.274 18.454 -11.960 1.00 0.00 H new ATOM 965 N MET A 65 -1.466 18.417 -5.930 1.00 0.00 N ATOM 966 CA MET A 65 -2.126 19.356 -4.984 1.00 0.00 C ATOM 967 C MET A 65 -1.042 19.917 -4.073 1.00 0.00 C ATOM 968 O MET A 65 -0.997 21.100 -3.795 1.00 0.00 O ATOM 969 CB MET A 65 -3.173 18.609 -4.153 1.00 0.00 C ATOM 970 CG MET A 65 -4.365 18.238 -5.041 1.00 0.00 C ATOM 971 SD MET A 65 -5.494 19.649 -5.154 1.00 0.00 S ATOM 972 CE MET A 65 -6.466 19.051 -6.559 1.00 0.00 C ATOM 0 H MET A 65 -1.719 17.436 -5.809 1.00 0.00 H new ATOM 0 HA MET A 65 -2.630 20.158 -5.523 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.735 17.709 -3.721 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.505 19.232 -3.323 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.018 17.956 -6.035 1.00 0.00 H new ATOM 0 HG3 MET A 65 -4.885 17.374 -4.628 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.237 19.781 -6.805 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.812 18.910 -7.420 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.935 18.102 -6.300 1.00 0.00 H new ATOM 982 N LEU A 66 -0.140 19.071 -3.636 1.00 0.00 N ATOM 983 CA LEU A 66 0.977 19.556 -2.774 1.00 0.00 C ATOM 984 C LEU A 66 1.846 20.469 -3.635 1.00 0.00 C ATOM 985 O LEU A 66 2.568 21.316 -3.145 1.00 0.00 O ATOM 986 CB LEU A 66 1.830 18.375 -2.288 1.00 0.00 C ATOM 987 CG LEU A 66 0.942 17.163 -1.996 1.00 0.00 C ATOM 988 CD1 LEU A 66 1.790 16.039 -1.395 1.00 0.00 C ATOM 989 CD2 LEU A 66 -0.164 17.552 -1.008 1.00 0.00 C ATOM 0 H LEU A 66 -0.131 18.071 -3.839 1.00 0.00 H new ATOM 0 HA LEU A 66 0.580 20.079 -1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.571 18.117 -3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.377 18.658 -1.389 1.00 0.00 H new ATOM 0 HG LEU A 66 0.488 16.821 -2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 66 1.157 15.177 -1.187 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.570 15.755 -2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.248 16.384 -0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.792 16.685 -0.805 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.285 17.901 -0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.772 18.348 -1.438 1.00 0.00 H new ATOM 1001 N PHE A 67 1.765 20.283 -4.929 1.00 0.00 N ATOM 1002 CA PHE A 67 2.559 21.109 -5.880 1.00 0.00 C ATOM 1003 C PHE A 67 4.054 20.885 -5.629 1.00 0.00 C ATOM 1004 O PHE A 67 4.850 21.803 -5.682 1.00 0.00 O ATOM 1005 CB PHE A 67 2.209 22.592 -5.696 1.00 0.00 C ATOM 1006 CG PHE A 67 2.309 23.304 -7.026 1.00 0.00 C ATOM 1007 CD1 PHE A 67 1.283 23.168 -7.970 1.00 0.00 C ATOM 1008 CD2 PHE A 67 3.426 24.098 -7.315 1.00 0.00 C ATOM 1009 CE1 PHE A 67 1.375 23.826 -9.202 1.00 0.00 C ATOM 1010 CE2 PHE A 67 3.517 24.755 -8.547 1.00 0.00 C ATOM 1011 CZ PHE A 67 2.491 24.619 -9.491 1.00 0.00 C ATOM 0 H PHE A 67 1.171 19.581 -5.370 1.00 0.00 H new ATOM 0 HA PHE A 67 2.321 20.815 -6.902 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.201 22.691 -5.294 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.886 23.049 -4.975 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.422 22.556 -7.747 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.217 24.203 -6.587 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.584 23.722 -9.930 1.00 0.00 H new ATOM 0 HE2 PHE A 67 4.378 25.367 -8.770 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.561 25.126 -10.442 1.00 0.00 H new ATOM 1021 N ALA A 68 4.439 19.665 -5.356 1.00 0.00 N ATOM 1022 CA ALA A 68 5.878 19.370 -5.099 1.00 0.00 C ATOM 1023 C ALA A 68 6.699 19.688 -6.359 1.00 0.00 C ATOM 1024 O ALA A 68 6.432 19.146 -7.415 1.00 0.00 O ATOM 1025 CB ALA A 68 6.037 17.887 -4.750 1.00 0.00 C ATOM 0 H ALA A 68 3.816 18.859 -5.300 1.00 0.00 H new ATOM 0 HA ALA A 68 6.233 19.982 -4.270 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.088 17.668 -4.562 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.453 17.658 -3.858 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.683 17.278 -5.581 1.00 0.00 H new ATOM 1031 N PRO A 69 7.675 20.558 -6.214 1.00 0.00 N ATOM 1032 CA PRO A 69 8.544 20.956 -7.339 1.00 0.00 C ATOM 1033 C PRO A 69 9.311 19.742 -7.876 1.00 0.00 C ATOM 1034 O PRO A 69 9.964 19.813 -8.899 1.00 0.00 O ATOM 1035 CB PRO A 69 9.511 21.990 -6.743 1.00 0.00 C ATOM 1036 CG PRO A 69 9.168 22.146 -5.239 1.00 0.00 C ATOM 1037 CD PRO A 69 7.989 21.211 -4.929 1.00 0.00 C ATOM 0 HA PRO A 69 7.977 21.363 -8.177 1.00 0.00 H new ATOM 0 HB2 PRO A 69 10.544 21.664 -6.868 1.00 0.00 H new ATOM 0 HB3 PRO A 69 9.414 22.946 -7.258 1.00 0.00 H new ATOM 0 HG2 PRO A 69 10.030 21.892 -4.622 1.00 0.00 H new ATOM 0 HG3 PRO A 69 8.907 23.179 -5.012 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.256 20.478 -4.168 1.00 0.00 H new ATOM 0 HD3 PRO A 69 7.132 21.768 -4.549 1.00 0.00 H new ATOM 1045 N CYS A 70 9.233 18.632 -7.190 1.00 0.00 N ATOM 1046 CA CYS A 70 9.948 17.406 -7.647 1.00 0.00 C ATOM 1047 C CYS A 70 9.035 16.187 -7.471 1.00 0.00 C ATOM 1048 O CYS A 70 9.051 15.329 -8.338 1.00 0.00 O ATOM 1049 CB CYS A 70 11.220 17.217 -6.815 1.00 0.00 C ATOM 1050 SG CYS A 70 12.291 18.662 -7.011 1.00 0.00 S ATOM 0 H CYS A 70 8.701 18.522 -6.327 1.00 0.00 H new ATOM 0 HA CYS A 70 10.215 17.511 -8.699 1.00 0.00 H new ATOM 0 HB2 CYS A 70 10.963 17.082 -5.764 1.00 0.00 H new ATOM 0 HB3 CYS A 70 11.745 16.316 -7.133 1.00 0.00 H new ATOM 0 HG CYS A 70 13.369 18.502 -6.303 1.00 0.00 H new TER 1056 CYS A 70 HETATM 1057 ZN ZN A 998 -2.728 -4.849 -11.478 1.00 0.00 ZN HETATM 1058 ZN ZN A 999 -4.942 10.395 -5.882 1.00 0.00 ZN