USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 676 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 SER OG : rot 130:sc= 0.123 USER MOD Set 1.2: A 74 GLN : amide:sc= -0.515 K(o=-0.39,f=-1.1) USER MOD Set 2.1: A 58 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 43 SER OG : rot -170:sc= 0 USER MOD Set 3.2: A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLN : amide:sc= -0.0743 X(o=-0.074,f=-0.074) USER MOD Single : A 1 GLN N :NH3+ -137:sc= 0.0381 (180deg=-0.381) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 CYS SG : rot -136:sc= -3.18! USER MOD Single : A 14 THR OG1 : rot 65:sc= 0.9 USER MOD Single : A 17 CYS SG : rot -24:sc= 0.647 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -163:sc= -0.0389 (180deg=-0.313) USER MOD Single : A 27 HIS : no HD1:sc= -0.0594 X(o=-0.059,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.0353 X(o=-0.035,f=-0.35!) USER MOD Single : A 33 ASN : amide:sc= -0.226 K(o=-0.23,f=-4!) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -170:sc= 0.0327 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -52:sc= 0.658 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -21:sc= 1.29 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 114:sc= 0.596 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 3.568 -0.694 -1.672 1.00 0.00 N ATOM 2 CA GLN A 1 2.185 -0.362 -1.351 1.00 0.00 C ATOM 3 C GLN A 1 1.273 -0.617 -2.546 1.00 0.00 C ATOM 4 O GLN A 1 1.727 -1.050 -3.605 1.00 0.00 O ATOM 5 CB GLN A 1 2.077 1.100 -0.915 1.00 0.00 C ATOM 6 CG GLN A 1 2.960 1.447 0.272 1.00 0.00 C ATOM 7 CD GLN A 1 2.623 0.636 1.507 1.00 0.00 C ATOM 8 OE1 GLN A 1 1.504 0.698 2.019 1.00 0.00 O ATOM 9 NE2 GLN A 1 3.591 -0.132 1.994 1.00 0.00 N ATOM 0 H1 GLN A 1 3.995 -1.209 -0.876 1.00 0.00 H new ATOM 0 H2 GLN A 1 3.593 -1.291 -2.523 1.00 0.00 H new ATOM 0 H3 GLN A 1 4.103 0.180 -1.846 1.00 0.00 H new ATOM 0 HA GLN A 1 1.865 -1.003 -0.529 1.00 0.00 H new ATOM 0 HB2 GLN A 1 2.343 1.742 -1.755 1.00 0.00 H new ATOM 0 HB3 GLN A 1 1.040 1.319 -0.662 1.00 0.00 H new ATOM 0 HG2 GLN A 1 4.003 1.279 0.005 1.00 0.00 H new ATOM 0 HG3 GLN A 1 2.856 2.508 0.499 1.00 0.00 H new ATOM 0 HE21 GLN A 1 4.503 -0.153 1.538 1.00 0.00 H new ATOM 0 HE22 GLN A 1 3.422 -0.701 2.824 1.00 0.00 H new ATOM 18 N ARG A 2 -0.016 -0.347 -2.369 1.00 0.00 N ATOM 19 CA ARG A 2 -0.993 -0.548 -3.433 1.00 0.00 C ATOM 20 C ARG A 2 -0.657 0.309 -4.649 1.00 0.00 C ATOM 21 O ARG A 2 -0.707 -0.161 -5.785 1.00 0.00 O ATOM 22 CB ARG A 2 -2.400 -0.215 -2.933 1.00 0.00 C ATOM 23 CG ARG A 2 -3.456 -0.239 -4.025 1.00 0.00 C ATOM 24 CD ARG A 2 -4.860 -0.193 -3.443 1.00 0.00 C ATOM 25 NE ARG A 2 -5.311 1.176 -3.209 1.00 0.00 N ATOM 26 CZ ARG A 2 -6.529 1.485 -2.778 1.00 0.00 C ATOM 27 NH1 ARG A 2 -7.412 0.527 -2.534 1.00 0.00 N ATOM 28 NH2 ARG A 2 -6.865 2.755 -2.589 1.00 0.00 N ATOM 0 H ARG A 2 -0.409 0.012 -1.499 1.00 0.00 H new ATOM 0 HA ARG A 2 -0.959 -1.596 -3.729 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -2.678 -0.926 -2.155 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -2.388 0.773 -2.472 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.310 0.610 -4.693 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.339 -1.141 -4.626 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.551 -0.691 -4.123 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -4.882 -0.747 -2.505 1.00 0.00 H new ATOM 0 HE ARG A 2 -4.655 1.937 -3.386 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -7.157 -0.450 -2.677 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -8.347 0.767 -2.203 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -6.188 3.495 -2.775 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -7.800 2.991 -2.258 1.00 0.00 H new ATOM 42 N GLU A 3 -0.315 1.570 -4.402 1.00 0.00 N ATOM 43 CA GLU A 3 0.027 2.493 -5.477 1.00 0.00 C ATOM 44 C GLU A 3 1.153 1.930 -6.340 1.00 0.00 C ATOM 45 O GLU A 3 1.158 2.100 -7.558 1.00 0.00 O ATOM 46 CB GLU A 3 0.440 3.850 -4.903 1.00 0.00 C ATOM 47 CG GLU A 3 -0.710 4.620 -4.275 1.00 0.00 C ATOM 48 CD GLU A 3 -0.241 5.640 -3.255 1.00 0.00 C ATOM 49 OE1 GLU A 3 0.293 5.226 -2.205 1.00 0.00 O ATOM 50 OE2 GLU A 3 -0.408 6.852 -3.507 1.00 0.00 O ATOM 0 H GLU A 3 -0.268 1.975 -3.467 1.00 0.00 H new ATOM 0 HA GLU A 3 -0.856 2.625 -6.102 1.00 0.00 H new ATOM 0 HB2 GLU A 3 1.216 3.697 -4.153 1.00 0.00 H new ATOM 0 HB3 GLU A 3 0.879 4.453 -5.698 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -1.273 5.127 -5.058 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -1.393 3.919 -3.795 1.00 0.00 H new ATOM 57 N GLU A 4 2.104 1.260 -5.697 1.00 0.00 N ATOM 58 CA GLU A 4 3.236 0.673 -6.405 1.00 0.00 C ATOM 59 C GLU A 4 2.775 -0.444 -7.337 1.00 0.00 C ATOM 60 O GLU A 4 3.218 -0.534 -8.481 1.00 0.00 O ATOM 61 CB GLU A 4 4.263 0.130 -5.410 1.00 0.00 C ATOM 62 CG GLU A 4 4.963 1.213 -4.605 1.00 0.00 C ATOM 63 CD GLU A 4 6.133 1.828 -5.349 1.00 0.00 C ATOM 64 OE1 GLU A 4 6.907 1.068 -5.967 1.00 0.00 O ATOM 65 OE2 GLU A 4 6.274 3.068 -5.312 1.00 0.00 O ATOM 0 H GLU A 4 2.113 1.110 -4.688 1.00 0.00 H new ATOM 0 HA GLU A 4 3.701 1.455 -7.005 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.765 -0.556 -4.725 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.011 -0.449 -5.952 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.246 1.994 -4.353 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.317 0.790 -3.665 1.00 0.00 H new ATOM 72 N MET A 5 1.882 -1.292 -6.837 1.00 0.00 N ATOM 73 CA MET A 5 1.360 -2.403 -7.625 1.00 0.00 C ATOM 74 C MET A 5 0.574 -1.894 -8.829 1.00 0.00 C ATOM 75 O MET A 5 0.724 -2.403 -9.940 1.00 0.00 O ATOM 76 CB MET A 5 0.468 -3.295 -6.759 1.00 0.00 C ATOM 77 CG MET A 5 1.183 -4.519 -6.209 1.00 0.00 C ATOM 78 SD MET A 5 2.364 -4.109 -4.910 1.00 0.00 S ATOM 79 CE MET A 5 1.503 -4.722 -3.464 1.00 0.00 C ATOM 0 H MET A 5 1.505 -1.231 -5.891 1.00 0.00 H new ATOM 0 HA MET A 5 2.205 -2.988 -7.987 1.00 0.00 H new ATOM 0 HB2 MET A 5 0.079 -2.708 -5.927 1.00 0.00 H new ATOM 0 HB3 MET A 5 -0.389 -3.620 -7.349 1.00 0.00 H new ATOM 0 HG2 MET A 5 0.446 -5.220 -5.816 1.00 0.00 H new ATOM 0 HG3 MET A 5 1.704 -5.026 -7.021 1.00 0.00 H new ATOM 0 HE1 MET A 5 2.109 -4.541 -2.576 1.00 0.00 H new ATOM 0 HE2 MET A 5 0.548 -4.206 -3.363 1.00 0.00 H new ATOM 0 HE3 MET A 5 1.328 -5.792 -3.571 1.00 0.00 H new ATOM 89 N VAL A 6 -0.263 -0.888 -8.601 1.00 0.00 N ATOM 90 CA VAL A 6 -1.072 -0.310 -9.667 1.00 0.00 C ATOM 91 C VAL A 6 -0.195 0.339 -10.732 1.00 0.00 C ATOM 92 O VAL A 6 -0.413 0.154 -11.930 1.00 0.00 O ATOM 93 CB VAL A 6 -2.056 0.741 -9.119 1.00 0.00 C ATOM 94 CG1 VAL A 6 -2.876 1.346 -10.249 1.00 0.00 C ATOM 95 CG2 VAL A 6 -2.961 0.123 -8.064 1.00 0.00 C ATOM 0 H VAL A 6 -0.399 -0.456 -7.687 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.637 -1.128 -10.114 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.483 1.541 -8.650 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.565 2.086 -9.842 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.210 1.826 -10.966 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -3.441 0.560 -10.749 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.650 0.879 -7.687 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.528 -0.697 -8.506 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.355 -0.257 -7.242 1.00 0.00 H new ATOM 105 N LYS A 7 0.800 1.099 -10.289 1.00 0.00 N ATOM 106 CA LYS A 7 1.714 1.775 -11.203 1.00 0.00 C ATOM 107 C LYS A 7 2.476 0.766 -12.055 1.00 0.00 C ATOM 108 O LYS A 7 2.602 0.931 -13.268 1.00 0.00 O ATOM 109 CB LYS A 7 2.699 2.646 -10.420 1.00 0.00 C ATOM 110 CG LYS A 7 3.257 3.807 -11.225 1.00 0.00 C ATOM 111 CD LYS A 7 4.504 4.386 -10.579 1.00 0.00 C ATOM 112 CE LYS A 7 4.154 5.384 -9.486 1.00 0.00 C ATOM 113 NZ LYS A 7 5.367 6.050 -8.934 1.00 0.00 N ATOM 0 H LYS A 7 0.995 1.263 -9.301 1.00 0.00 H new ATOM 0 HA LYS A 7 1.124 2.410 -11.864 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.200 3.036 -9.533 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.525 2.025 -10.074 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.492 3.471 -12.235 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.499 4.585 -11.316 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.105 3.580 -10.158 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.114 4.875 -11.338 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.476 6.138 -9.886 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.624 4.872 -8.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.086 6.723 -8.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.003 5.333 -8.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.860 6.560 -9.695 1.00 0.00 H new ATOM 127 N LYS A 8 2.983 -0.282 -11.412 1.00 0.00 N ATOM 128 CA LYS A 8 3.731 -1.320 -12.111 1.00 0.00 C ATOM 129 C LYS A 8 2.858 -2.011 -13.154 1.00 0.00 C ATOM 130 O LYS A 8 3.272 -2.197 -14.299 1.00 0.00 O ATOM 131 CB LYS A 8 4.265 -2.350 -11.114 1.00 0.00 C ATOM 132 CG LYS A 8 5.583 -2.978 -11.535 1.00 0.00 C ATOM 133 CD LYS A 8 5.708 -4.405 -11.030 1.00 0.00 C ATOM 134 CE LYS A 8 6.397 -4.459 -9.675 1.00 0.00 C ATOM 135 NZ LYS A 8 6.826 -5.841 -9.325 1.00 0.00 N ATOM 0 H LYS A 8 2.889 -0.434 -10.408 1.00 0.00 H new ATOM 0 HA LYS A 8 4.570 -0.848 -12.621 1.00 0.00 H new ATOM 0 HB2 LYS A 8 4.394 -1.871 -10.144 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.522 -3.137 -10.985 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.661 -2.968 -12.622 1.00 0.00 H new ATOM 0 HG3 LYS A 8 6.410 -2.381 -11.151 1.00 0.00 H new ATOM 0 HD2 LYS A 8 4.717 -4.853 -10.954 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.272 -4.999 -11.750 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.265 -3.800 -9.683 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.719 -4.084 -8.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.291 -5.835 -8.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.995 -6.465 -9.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 7.493 -6.190 -10.043 1.00 0.00 H new ATOM 149 N CYS A 9 1.650 -2.388 -12.751 1.00 0.00 N ATOM 150 CA CYS A 9 0.718 -3.059 -13.652 1.00 0.00 C ATOM 151 C CYS A 9 0.442 -2.203 -14.883 1.00 0.00 C ATOM 152 O CYS A 9 0.549 -2.674 -16.017 1.00 0.00 O ATOM 153 CB CYS A 9 -0.592 -3.368 -12.926 1.00 0.00 C ATOM 154 SG CYS A 9 -0.715 -5.065 -12.316 1.00 0.00 S ATOM 0 H CYS A 9 1.292 -2.241 -11.807 1.00 0.00 H new ATOM 0 HA CYS A 9 1.174 -3.994 -13.977 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.700 -2.682 -12.085 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.424 -3.175 -13.603 1.00 0.00 H new ATOM 0 HG CYS A 9 -1.898 -5.536 -12.579 1.00 0.00 H new ATOM 160 N LEU A 10 0.085 -0.944 -14.654 1.00 0.00 N ATOM 161 CA LEU A 10 -0.209 -0.022 -15.746 1.00 0.00 C ATOM 162 C LEU A 10 0.990 0.119 -16.678 1.00 0.00 C ATOM 163 O LEU A 10 0.840 0.156 -17.898 1.00 0.00 O ATOM 164 CB LEU A 10 -0.602 1.348 -15.190 1.00 0.00 C ATOM 165 CG LEU A 10 -1.960 1.426 -14.493 1.00 0.00 C ATOM 166 CD1 LEU A 10 -2.019 2.634 -13.570 1.00 0.00 C ATOM 167 CD2 LEU A 10 -3.084 1.481 -15.518 1.00 0.00 C ATOM 0 H LEU A 10 -0.008 -0.538 -13.723 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.043 -0.429 -16.318 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.165 1.664 -14.483 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.595 2.066 -16.010 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.088 0.527 -13.890 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.993 2.672 -13.083 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.238 2.553 -12.814 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.868 3.544 -14.151 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.043 1.536 -15.003 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.959 2.362 -16.148 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.056 0.585 -16.137 1.00 0.00 H new ATOM 179 N GLY A 11 2.182 0.196 -16.093 1.00 0.00 N ATOM 180 CA GLY A 11 3.390 0.330 -16.886 1.00 0.00 C ATOM 181 C GLY A 11 3.594 -0.837 -17.832 1.00 0.00 C ATOM 182 O GLY A 11 3.852 -0.643 -19.019 1.00 0.00 O ATOM 0 H GLY A 11 2.332 0.168 -15.085 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.343 1.255 -17.460 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.250 0.410 -16.222 1.00 0.00 H new ATOM 186 N GLU A 12 3.481 -2.052 -17.304 1.00 0.00 N ATOM 187 CA GLU A 12 3.658 -3.254 -18.111 1.00 0.00 C ATOM 188 C GLU A 12 2.503 -3.425 -19.093 1.00 0.00 C ATOM 189 O GLU A 12 2.690 -3.906 -20.211 1.00 0.00 O ATOM 190 CB GLU A 12 3.764 -4.487 -17.212 1.00 0.00 C ATOM 191 CG GLU A 12 2.545 -4.705 -16.331 1.00 0.00 C ATOM 192 CD GLU A 12 2.622 -5.996 -15.539 1.00 0.00 C ATOM 193 OE1 GLU A 12 3.351 -6.028 -14.526 1.00 0.00 O ATOM 194 OE2 GLU A 12 1.951 -6.973 -15.932 1.00 0.00 O ATOM 0 H GLU A 12 3.268 -2.230 -16.322 1.00 0.00 H new ATOM 0 HA GLU A 12 4.582 -3.147 -18.679 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.914 -5.369 -17.835 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.646 -4.390 -16.579 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.444 -3.866 -15.642 1.00 0.00 H new ATOM 0 HG3 GLU A 12 1.650 -4.717 -16.952 1.00 0.00 H new ATOM 201 N LEU A 13 1.309 -3.027 -18.668 1.00 0.00 N ATOM 202 CA LEU A 13 0.122 -3.137 -19.509 1.00 0.00 C ATOM 203 C LEU A 13 0.256 -2.269 -20.756 1.00 0.00 C ATOM 204 O LEU A 13 -0.153 -2.663 -21.848 1.00 0.00 O ATOM 205 CB LEU A 13 -1.124 -2.728 -18.721 1.00 0.00 C ATOM 206 CG LEU A 13 -2.427 -3.423 -19.119 1.00 0.00 C ATOM 207 CD1 LEU A 13 -3.532 -3.092 -18.128 1.00 0.00 C ATOM 208 CD2 LEU A 13 -2.836 -3.022 -20.530 1.00 0.00 C ATOM 0 H LEU A 13 1.137 -2.625 -17.746 1.00 0.00 H new ATOM 0 HA LEU A 13 0.023 -4.177 -19.821 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.941 -2.921 -17.664 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.261 -1.652 -18.830 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.262 -4.500 -19.102 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.452 -3.595 -18.427 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.241 -3.429 -17.133 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.696 -2.015 -18.113 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.765 -3.526 -20.797 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.983 -1.943 -20.573 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.053 -3.310 -21.231 1.00 0.00 H new ATOM 220 N THR A 14 0.836 -1.084 -20.587 1.00 0.00 N ATOM 221 CA THR A 14 1.025 -0.160 -21.698 1.00 0.00 C ATOM 222 C THR A 14 1.862 -0.795 -22.803 1.00 0.00 C ATOM 223 O THR A 14 1.512 -0.717 -23.980 1.00 0.00 O ATOM 224 CB THR A 14 1.707 1.141 -21.236 1.00 0.00 C ATOM 225 OG1 THR A 14 0.908 1.786 -20.238 1.00 0.00 O ATOM 226 CG2 THR A 14 1.921 2.086 -22.410 1.00 0.00 C ATOM 0 H THR A 14 1.183 -0.742 -19.691 1.00 0.00 H new ATOM 0 HA THR A 14 0.034 0.076 -22.086 1.00 0.00 H new ATOM 0 HB THR A 14 2.679 0.885 -20.813 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.866 1.222 -19.438 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.404 2.998 -22.060 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.554 1.603 -23.155 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.959 2.334 -22.857 1.00 0.00 H new ATOM 234 N GLU A 15 2.968 -1.422 -22.416 1.00 0.00 N ATOM 235 CA GLU A 15 3.854 -2.070 -23.376 1.00 0.00 C ATOM 236 C GLU A 15 3.184 -3.293 -23.996 1.00 0.00 C ATOM 237 O GLU A 15 3.316 -3.547 -25.193 1.00 0.00 O ATOM 238 CB GLU A 15 5.164 -2.480 -22.699 1.00 0.00 C ATOM 239 CG GLU A 15 6.149 -1.335 -22.534 1.00 0.00 C ATOM 240 CD GLU A 15 6.749 -0.888 -23.852 1.00 0.00 C ATOM 241 OE1 GLU A 15 6.037 -0.225 -24.635 1.00 0.00 O ATOM 242 OE2 GLU A 15 7.932 -1.202 -24.101 1.00 0.00 O ATOM 0 H GLU A 15 3.272 -1.495 -21.445 1.00 0.00 H new ATOM 0 HA GLU A 15 4.072 -1.356 -24.170 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.940 -2.900 -21.718 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.634 -3.270 -23.284 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.644 -0.491 -22.064 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.949 -1.643 -21.861 1.00 0.00 H new ATOM 249 N VAL A 16 2.466 -4.048 -23.171 1.00 0.00 N ATOM 250 CA VAL A 16 1.775 -5.245 -23.637 1.00 0.00 C ATOM 251 C VAL A 16 0.691 -4.894 -24.651 1.00 0.00 C ATOM 252 O VAL A 16 0.607 -5.500 -25.719 1.00 0.00 O ATOM 253 CB VAL A 16 1.136 -6.016 -22.466 1.00 0.00 C ATOM 254 CG1 VAL A 16 0.344 -7.208 -22.980 1.00 0.00 C ATOM 255 CG2 VAL A 16 2.203 -6.461 -21.477 1.00 0.00 C ATOM 0 H VAL A 16 2.347 -3.852 -22.177 1.00 0.00 H new ATOM 0 HA VAL A 16 2.524 -5.878 -24.114 1.00 0.00 H new ATOM 0 HB VAL A 16 0.447 -5.349 -21.947 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.100 -7.740 -22.139 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.445 -6.860 -23.647 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.009 -7.879 -23.524 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.735 -7.004 -20.656 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.918 -7.111 -21.981 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.722 -5.587 -21.084 1.00 0.00 H new ATOM 265 N CYS A 17 -0.135 -3.911 -24.309 1.00 0.00 N ATOM 266 CA CYS A 17 -1.214 -3.479 -25.190 1.00 0.00 C ATOM 267 C CYS A 17 -0.662 -2.740 -26.404 1.00 0.00 C ATOM 268 O CYS A 17 -1.268 -2.743 -27.476 1.00 0.00 O ATOM 269 CB CYS A 17 -2.190 -2.579 -24.431 1.00 0.00 C ATOM 270 SG CYS A 17 -1.565 -0.913 -24.114 1.00 0.00 S ATOM 0 H CYS A 17 -0.078 -3.399 -23.429 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.743 -4.366 -25.537 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.117 -2.505 -25.000 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.437 -3.050 -23.479 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.265 -0.929 -24.117 1.00 0.00 H new ATOM 276 N LYS A 18 0.492 -2.104 -26.229 1.00 0.00 N ATOM 277 CA LYS A 18 1.127 -1.360 -27.310 1.00 0.00 C ATOM 278 C LYS A 18 1.638 -2.303 -28.394 1.00 0.00 C ATOM 279 O LYS A 18 1.402 -2.084 -29.582 1.00 0.00 O ATOM 280 CB LYS A 18 2.284 -0.518 -26.765 1.00 0.00 C ATOM 281 CG LYS A 18 3.116 0.146 -27.849 1.00 0.00 C ATOM 282 CD LYS A 18 3.928 1.306 -27.297 1.00 0.00 C ATOM 283 CE LYS A 18 3.039 2.485 -26.933 1.00 0.00 C ATOM 284 NZ LYS A 18 3.784 3.773 -26.967 1.00 0.00 N ATOM 0 H LYS A 18 1.006 -2.089 -25.348 1.00 0.00 H new ATOM 0 HA LYS A 18 0.380 -0.700 -27.751 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.883 0.251 -26.104 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.931 -1.153 -26.160 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.786 -0.588 -28.296 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.461 0.504 -28.643 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.479 0.979 -26.415 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.665 1.619 -28.036 1.00 0.00 H new ATOM 0 HE2 LYS A 18 2.199 2.533 -27.625 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.623 2.332 -25.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.143 4.552 -26.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.571 3.737 -26.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 4.159 3.932 -27.924 1.00 0.00 H new ATOM 298 N SER A 19 2.338 -3.353 -27.977 1.00 0.00 N ATOM 299 CA SER A 19 2.883 -4.329 -28.913 1.00 0.00 C ATOM 300 C SER A 19 1.768 -5.151 -29.553 1.00 0.00 C ATOM 301 O SER A 19 1.753 -5.359 -30.767 1.00 0.00 O ATOM 302 CB SER A 19 3.870 -5.256 -28.200 1.00 0.00 C ATOM 303 OG SER A 19 5.191 -4.748 -28.274 1.00 0.00 O ATOM 0 H SER A 19 2.541 -3.550 -26.997 1.00 0.00 H new ATOM 0 HA SER A 19 3.408 -3.786 -29.699 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.578 -5.369 -27.156 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.833 -6.248 -28.650 1.00 0.00 H new ATOM 0 HG SER A 19 5.802 -5.357 -27.810 1.00 0.00 H new ATOM 309 N LEU A 20 0.836 -5.615 -28.728 1.00 0.00 N ATOM 310 CA LEU A 20 -0.284 -6.414 -29.212 1.00 0.00 C ATOM 311 C LEU A 20 -1.156 -5.607 -30.169 1.00 0.00 C ATOM 312 O LEU A 20 -1.654 -6.133 -31.164 1.00 0.00 O ATOM 313 CB LEU A 20 -1.125 -6.914 -28.036 1.00 0.00 C ATOM 314 CG LEU A 20 -0.819 -8.329 -27.544 1.00 0.00 C ATOM 315 CD1 LEU A 20 0.269 -8.301 -26.481 1.00 0.00 C ATOM 316 CD2 LEU A 20 -2.078 -8.990 -27.004 1.00 0.00 C ATOM 0 H LEU A 20 0.834 -5.452 -27.721 1.00 0.00 H new ATOM 0 HA LEU A 20 0.119 -7.270 -29.752 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.993 -6.225 -27.202 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.176 -6.870 -28.322 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.458 -8.916 -28.388 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.473 -9.317 -26.143 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.177 -7.869 -26.901 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.063 -7.697 -25.636 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.841 -9.996 -26.658 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.469 -8.403 -26.173 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.828 -9.045 -27.794 1.00 0.00 H new ATOM 328 N GLY A 21 -1.334 -4.326 -29.862 1.00 0.00 N ATOM 329 CA GLY A 21 -2.144 -3.467 -30.705 1.00 0.00 C ATOM 330 C GLY A 21 -1.467 -3.142 -32.022 1.00 0.00 C ATOM 331 O GLY A 21 -2.113 -3.108 -33.070 1.00 0.00 O ATOM 0 H GLY A 21 -0.932 -3.868 -29.044 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.100 -3.953 -30.901 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.361 -2.541 -30.173 1.00 0.00 H new ATOM 335 N LYS A 22 -0.161 -2.902 -31.971 1.00 0.00 N ATOM 336 CA LYS A 22 0.605 -2.578 -33.169 1.00 0.00 C ATOM 337 C LYS A 22 0.617 -3.753 -34.141 1.00 0.00 C ATOM 338 O LYS A 22 0.380 -3.584 -35.337 1.00 0.00 O ATOM 339 CB LYS A 22 2.039 -2.197 -32.794 1.00 0.00 C ATOM 340 CG LYS A 22 2.408 -0.773 -33.171 1.00 0.00 C ATOM 341 CD LYS A 22 3.197 -0.726 -34.468 1.00 0.00 C ATOM 342 CE LYS A 22 3.370 0.701 -34.965 1.00 0.00 C ATOM 343 NZ LYS A 22 2.070 1.313 -35.356 1.00 0.00 N ATOM 0 H LYS A 22 0.389 -2.926 -31.113 1.00 0.00 H new ATOM 0 HA LYS A 22 0.126 -1.730 -33.658 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.171 -2.325 -31.720 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.729 -2.884 -33.284 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.502 -0.176 -33.274 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.996 -0.324 -32.370 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.176 -1.180 -34.316 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.686 -1.317 -35.228 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.835 1.304 -34.185 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.047 0.709 -35.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.245 2.151 -35.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.509 0.622 -35.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.547 1.594 -34.502 1.00 0.00 H new ATOM 357 N VAL A 23 0.894 -4.944 -33.620 1.00 0.00 N ATOM 358 CA VAL A 23 0.934 -6.148 -34.441 1.00 0.00 C ATOM 359 C VAL A 23 -0.461 -6.534 -34.919 1.00 0.00 C ATOM 360 O VAL A 23 -0.643 -6.955 -36.061 1.00 0.00 O ATOM 361 CB VAL A 23 1.548 -7.332 -33.672 1.00 0.00 C ATOM 362 CG1 VAL A 23 3.005 -7.053 -33.334 1.00 0.00 C ATOM 363 CG2 VAL A 23 0.746 -7.621 -32.412 1.00 0.00 C ATOM 0 H VAL A 23 1.094 -5.101 -32.632 1.00 0.00 H new ATOM 0 HA VAL A 23 1.560 -5.922 -35.304 1.00 0.00 H new ATOM 0 HB VAL A 23 1.511 -8.215 -34.310 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.421 -7.901 -32.791 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.569 -6.899 -34.254 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.070 -6.158 -32.715 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.194 -8.461 -31.880 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.749 -6.741 -31.769 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.280 -7.869 -32.683 1.00 0.00 H new ATOM 373 N PHE A 24 -1.444 -6.387 -34.037 1.00 0.00 N ATOM 374 CA PHE A 24 -2.824 -6.721 -34.368 1.00 0.00 C ATOM 375 C PHE A 24 -3.334 -5.853 -35.514 1.00 0.00 C ATOM 376 O PHE A 24 -4.303 -6.201 -36.188 1.00 0.00 O ATOM 377 CB PHE A 24 -3.722 -6.546 -33.141 1.00 0.00 C ATOM 378 CG PHE A 24 -5.153 -6.933 -33.385 1.00 0.00 C ATOM 379 CD1 PHE A 24 -5.525 -8.267 -33.428 1.00 0.00 C ATOM 380 CD2 PHE A 24 -6.125 -5.964 -33.570 1.00 0.00 C ATOM 381 CE1 PHE A 24 -6.840 -8.626 -33.653 1.00 0.00 C ATOM 382 CE2 PHE A 24 -7.442 -6.317 -33.795 1.00 0.00 C ATOM 383 CZ PHE A 24 -7.800 -7.650 -33.835 1.00 0.00 C ATOM 0 H PHE A 24 -1.310 -6.039 -33.088 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.853 -7.763 -34.685 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.326 -7.147 -32.322 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -3.685 -5.505 -32.819 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.779 -9.034 -33.284 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.850 -4.920 -33.538 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -7.117 -9.669 -33.687 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.190 -5.552 -33.939 1.00 0.00 H new ATOM 0 HZ PHE A 24 -8.829 -7.929 -34.008 1.00 0.00 H new ATOM 393 N GLY A 25 -2.675 -4.718 -35.727 1.00 0.00 N ATOM 394 CA GLY A 25 -3.075 -3.816 -36.791 1.00 0.00 C ATOM 395 C GLY A 25 -3.998 -2.717 -36.303 1.00 0.00 C ATOM 396 O GLY A 25 -4.929 -2.321 -37.004 1.00 0.00 O ATOM 0 H GLY A 25 -1.871 -4.407 -35.181 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.187 -3.369 -37.237 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.574 -4.384 -37.576 1.00 0.00 H new ATOM 400 N VAL A 26 -3.740 -2.222 -35.096 1.00 0.00 N ATOM 401 CA VAL A 26 -4.554 -1.162 -34.514 1.00 0.00 C ATOM 402 C VAL A 26 -3.729 -0.288 -33.577 1.00 0.00 C ATOM 403 O VAL A 26 -2.516 -0.461 -33.455 1.00 0.00 O ATOM 404 CB VAL A 26 -5.754 -1.738 -33.739 1.00 0.00 C ATOM 405 CG1 VAL A 26 -6.632 -2.574 -34.657 1.00 0.00 C ATOM 406 CG2 VAL A 26 -5.276 -2.559 -32.551 1.00 0.00 C ATOM 0 H VAL A 26 -2.973 -2.539 -34.503 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.923 -0.555 -35.341 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.352 -0.909 -33.361 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.474 -2.972 -34.091 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.003 -1.952 -35.471 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.048 -3.398 -35.067 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.137 -2.958 -32.015 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.655 -3.382 -32.904 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.694 -1.926 -31.882 1.00 0.00 H new ATOM 416 N HIS A 27 -4.395 0.653 -32.915 1.00 0.00 N ATOM 417 CA HIS A 27 -3.723 1.555 -31.986 1.00 0.00 C ATOM 418 C HIS A 27 -4.044 1.185 -30.541 1.00 0.00 C ATOM 419 O HIS A 27 -5.104 0.628 -30.254 1.00 0.00 O ATOM 420 CB HIS A 27 -4.137 3.002 -32.258 1.00 0.00 C ATOM 421 CG HIS A 27 -3.542 3.570 -33.510 1.00 0.00 C ATOM 422 ND1 HIS A 27 -4.129 4.591 -34.227 1.00 0.00 N ATOM 423 CD2 HIS A 27 -2.403 3.256 -34.170 1.00 0.00 C ATOM 424 CE1 HIS A 27 -3.379 4.878 -35.275 1.00 0.00 C ATOM 425 NE2 HIS A 27 -2.325 4.082 -35.264 1.00 0.00 N ATOM 0 H HIS A 27 -5.399 0.811 -33.005 1.00 0.00 H new ATOM 0 HA HIS A 27 -2.648 1.458 -32.137 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.224 3.054 -32.326 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -3.841 3.621 -31.411 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -1.688 2.497 -33.889 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.591 5.635 -36.015 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -1.575 4.081 -35.956 1.00 0.00 H new ATOM 433 N TYR A 28 -3.123 1.498 -29.637 1.00 0.00 N ATOM 434 CA TYR A 28 -3.306 1.195 -28.223 1.00 0.00 C ATOM 435 C TYR A 28 -4.560 1.873 -27.679 1.00 0.00 C ATOM 436 O TYR A 28 -5.273 1.310 -26.848 1.00 0.00 O ATOM 437 CB TYR A 28 -2.083 1.642 -27.421 1.00 0.00 C ATOM 438 CG TYR A 28 -1.823 3.130 -27.492 1.00 0.00 C ATOM 439 CD1 TYR A 28 -1.067 3.675 -28.522 1.00 0.00 C ATOM 440 CD2 TYR A 28 -2.335 3.991 -26.529 1.00 0.00 C ATOM 441 CE1 TYR A 28 -0.827 5.034 -28.590 1.00 0.00 C ATOM 442 CE2 TYR A 28 -2.101 5.351 -26.589 1.00 0.00 C ATOM 443 CZ TYR A 28 -1.346 5.867 -27.622 1.00 0.00 C ATOM 444 OH TYR A 28 -1.110 7.222 -27.687 1.00 0.00 O ATOM 0 H TYR A 28 -2.242 1.962 -29.858 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.424 0.116 -28.121 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.218 1.355 -26.378 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.205 1.110 -27.787 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -0.660 3.025 -29.283 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -2.926 3.590 -25.719 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.236 5.441 -29.397 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -2.506 6.006 -25.832 1.00 0.00 H new ATOM 0 HH TYR A 28 -1.546 7.667 -26.931 1.00 0.00 H new ATOM 454 N PHE A 29 -4.823 3.086 -28.154 1.00 0.00 N ATOM 455 CA PHE A 29 -5.990 3.842 -27.716 1.00 0.00 C ATOM 456 C PHE A 29 -7.276 3.212 -28.244 1.00 0.00 C ATOM 457 O PHE A 29 -8.358 3.440 -27.705 1.00 0.00 O ATOM 458 CB PHE A 29 -5.889 5.294 -28.188 1.00 0.00 C ATOM 459 CG PHE A 29 -6.289 6.294 -27.140 1.00 0.00 C ATOM 460 CD1 PHE A 29 -7.591 6.340 -26.669 1.00 0.00 C ATOM 461 CD2 PHE A 29 -5.362 7.186 -26.626 1.00 0.00 C ATOM 462 CE1 PHE A 29 -7.961 7.260 -25.706 1.00 0.00 C ATOM 463 CE2 PHE A 29 -5.726 8.107 -25.662 1.00 0.00 C ATOM 464 CZ PHE A 29 -7.027 8.144 -25.201 1.00 0.00 C ATOM 0 H PHE A 29 -4.243 3.566 -28.842 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.017 3.822 -26.627 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -4.864 5.496 -28.499 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.521 5.427 -29.066 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.325 5.650 -27.058 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.343 7.161 -26.983 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -8.980 7.288 -25.349 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.994 8.797 -25.270 1.00 0.00 H new ATOM 0 HZ PHE A 29 -7.314 8.862 -24.447 1.00 0.00 H new ATOM 474 N ASN A 30 -7.148 2.419 -29.302 1.00 0.00 N ATOM 475 CA ASN A 30 -8.299 1.756 -29.905 1.00 0.00 C ATOM 476 C ASN A 30 -8.674 0.501 -29.123 1.00 0.00 C ATOM 477 O ASN A 30 -9.854 0.217 -28.915 1.00 0.00 O ATOM 478 CB ASN A 30 -8.001 1.394 -31.361 1.00 0.00 C ATOM 479 CG ASN A 30 -9.263 1.217 -32.183 1.00 0.00 C ATOM 480 OD1 ASN A 30 -10.240 0.628 -31.721 1.00 0.00 O ATOM 481 ND2 ASN A 30 -9.247 1.728 -33.408 1.00 0.00 N ATOM 0 H ASN A 30 -6.259 2.219 -29.760 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.142 2.447 -29.875 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -7.386 2.175 -31.808 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -7.419 0.473 -31.392 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.067 1.640 -34.008 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -8.414 2.208 -33.749 1.00 0.00 H new ATOM 488 N ILE A 31 -7.663 -0.246 -28.692 1.00 0.00 N ATOM 489 CA ILE A 31 -7.887 -1.470 -27.933 1.00 0.00 C ATOM 490 C ILE A 31 -8.252 -1.159 -26.485 1.00 0.00 C ATOM 491 O ILE A 31 -9.046 -1.869 -25.867 1.00 0.00 O ATOM 492 CB ILE A 31 -6.646 -2.380 -27.953 1.00 0.00 C ATOM 493 CG1 ILE A 31 -5.444 -1.655 -27.343 1.00 0.00 C ATOM 494 CG2 ILE A 31 -6.338 -2.824 -29.375 1.00 0.00 C ATOM 495 CD1 ILE A 31 -4.170 -2.470 -27.367 1.00 0.00 C ATOM 0 H ILE A 31 -6.681 -0.025 -28.856 1.00 0.00 H new ATOM 0 HA ILE A 31 -8.717 -1.991 -28.411 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.854 -3.266 -27.353 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.280 -0.723 -27.884 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.676 -1.389 -26.312 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.458 -3.467 -29.373 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.189 -3.375 -29.777 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.147 -1.949 -29.996 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.361 -1.893 -26.919 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.316 -3.390 -26.802 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.914 -2.714 -28.398 1.00 0.00 H new ATOM 507 N PHE A 32 -7.669 -0.092 -25.949 1.00 0.00 N ATOM 508 CA PHE A 32 -7.933 0.315 -24.574 1.00 0.00 C ATOM 509 C PHE A 32 -7.788 1.825 -24.416 1.00 0.00 C ATOM 510 O PHE A 32 -6.949 2.450 -25.063 1.00 0.00 O ATOM 511 CB PHE A 32 -6.980 -0.403 -23.616 1.00 0.00 C ATOM 512 CG PHE A 32 -7.345 -1.840 -23.373 1.00 0.00 C ATOM 513 CD1 PHE A 32 -8.635 -2.189 -23.010 1.00 0.00 C ATOM 514 CD2 PHE A 32 -6.396 -2.841 -23.507 1.00 0.00 C ATOM 515 CE1 PHE A 32 -8.974 -3.510 -22.785 1.00 0.00 C ATOM 516 CE2 PHE A 32 -6.729 -4.164 -23.285 1.00 0.00 C ATOM 517 CZ PHE A 32 -8.019 -4.499 -22.922 1.00 0.00 C ATOM 0 H PHE A 32 -7.010 0.507 -26.446 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.959 0.039 -24.330 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -5.969 -0.357 -24.020 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.968 0.127 -22.663 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.385 -1.420 -22.901 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.385 -2.585 -23.788 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.984 -3.769 -22.503 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -5.981 -4.935 -23.395 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.281 -5.532 -22.746 1.00 0.00 H new ATOM 527 N ASN A 33 -8.613 2.405 -23.550 1.00 0.00 N ATOM 528 CA ASN A 33 -8.579 3.843 -23.307 1.00 0.00 C ATOM 529 C ASN A 33 -8.040 4.146 -21.912 1.00 0.00 C ATOM 530 O ASN A 33 -7.855 3.243 -21.096 1.00 0.00 O ATOM 531 CB ASN A 33 -9.978 4.442 -23.467 1.00 0.00 C ATOM 532 CG ASN A 33 -10.495 4.331 -24.889 1.00 0.00 C ATOM 533 OD1 ASN A 33 -10.263 3.332 -25.569 1.00 0.00 O ATOM 534 ND2 ASN A 33 -11.200 5.361 -25.343 1.00 0.00 N ATOM 0 H ASN A 33 -9.313 1.902 -23.005 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.912 4.295 -24.041 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -10.667 3.934 -22.792 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.957 5.491 -23.172 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -11.574 5.344 -26.292 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.367 6.169 -24.743 1.00 0.00 H new ATOM 541 N THR A 34 -7.791 5.424 -21.645 1.00 0.00 N ATOM 542 CA THR A 34 -7.273 5.847 -20.350 1.00 0.00 C ATOM 543 C THR A 34 -8.149 5.333 -19.213 1.00 0.00 C ATOM 544 O THR A 34 -7.657 4.714 -18.269 1.00 0.00 O ATOM 545 CB THR A 34 -7.180 7.382 -20.256 1.00 0.00 C ATOM 546 OG1 THR A 34 -6.319 7.884 -21.285 1.00 0.00 O ATOM 547 CG2 THR A 34 -6.654 7.810 -18.895 1.00 0.00 C ATOM 0 H THR A 34 -7.940 6.184 -22.309 1.00 0.00 H new ATOM 0 HA THR A 34 -6.273 5.423 -20.256 1.00 0.00 H new ATOM 0 HB THR A 34 -8.181 7.793 -20.387 1.00 0.00 H new ATOM 0 HG1 THR A 34 -6.266 8.860 -21.220 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.597 8.898 -18.853 1.00 0.00 H new ATOM 0 HG22 THR A 34 -7.326 7.451 -18.116 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.661 7.388 -18.740 1.00 0.00 H new ATOM 555 N VAL A 35 -9.449 5.591 -19.310 1.00 0.00 N ATOM 556 CA VAL A 35 -10.394 5.152 -18.290 1.00 0.00 C ATOM 557 C VAL A 35 -10.357 3.637 -18.123 1.00 0.00 C ATOM 558 O VAL A 35 -10.421 3.122 -17.006 1.00 0.00 O ATOM 559 CB VAL A 35 -11.832 5.584 -18.634 1.00 0.00 C ATOM 560 CG1 VAL A 35 -12.223 5.087 -20.017 1.00 0.00 C ATOM 561 CG2 VAL A 35 -12.806 5.078 -17.581 1.00 0.00 C ATOM 0 H VAL A 35 -9.872 6.102 -20.085 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.094 5.626 -17.355 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.874 6.673 -18.641 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.242 5.402 -20.242 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -11.542 5.503 -20.759 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.166 3.999 -20.042 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -13.817 5.392 -17.840 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.764 3.990 -17.539 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -12.536 5.489 -16.608 1.00 0.00 H new ATOM 571 N THR A 36 -10.253 2.926 -19.241 1.00 0.00 N ATOM 572 CA THR A 36 -10.208 1.469 -19.219 1.00 0.00 C ATOM 573 C THR A 36 -9.008 0.968 -18.424 1.00 0.00 C ATOM 574 O THR A 36 -9.146 0.120 -17.540 1.00 0.00 O ATOM 575 CB THR A 36 -10.145 0.887 -20.644 1.00 0.00 C ATOM 576 OG1 THR A 36 -11.046 1.595 -21.503 1.00 0.00 O ATOM 577 CG2 THR A 36 -10.496 -0.593 -20.640 1.00 0.00 C ATOM 0 H THR A 36 -10.198 3.335 -20.174 1.00 0.00 H new ATOM 0 HA THR A 36 -11.126 1.132 -18.737 1.00 0.00 H new ATOM 0 HB THR A 36 -9.126 1.001 -21.015 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.119 1.124 -22.360 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.445 -0.982 -21.657 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.790 -1.133 -20.009 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.505 -0.726 -20.251 1.00 0.00 H new ATOM 585 N LEU A 37 -7.832 1.497 -18.741 1.00 0.00 N ATOM 586 CA LEU A 37 -6.606 1.103 -18.055 1.00 0.00 C ATOM 587 C LEU A 37 -6.699 1.400 -16.561 1.00 0.00 C ATOM 588 O LEU A 37 -6.300 0.584 -15.729 1.00 0.00 O ATOM 589 CB LEU A 37 -5.404 1.833 -18.657 1.00 0.00 C ATOM 590 CG LEU A 37 -5.178 1.630 -20.156 1.00 0.00 C ATOM 591 CD1 LEU A 37 -4.194 2.658 -20.691 1.00 0.00 C ATOM 592 CD2 LEU A 37 -4.682 0.219 -20.434 1.00 0.00 C ATOM 0 H LEU A 37 -7.701 2.200 -19.469 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.474 0.029 -18.186 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.521 2.900 -18.469 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.507 1.512 -18.128 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.130 1.767 -20.669 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.045 2.498 -21.759 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.589 3.660 -20.526 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.241 2.554 -20.173 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.527 0.092 -21.505 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.741 0.054 -19.909 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.422 -0.502 -20.087 1.00 0.00 H new ATOM 604 N LYS A 38 -7.230 2.571 -16.228 1.00 0.00 N ATOM 605 CA LYS A 38 -7.379 2.975 -14.835 1.00 0.00 C ATOM 606 C LYS A 38 -8.279 2.002 -14.080 1.00 0.00 C ATOM 607 O LYS A 38 -8.000 1.644 -12.935 1.00 0.00 O ATOM 608 CB LYS A 38 -7.957 4.390 -14.752 1.00 0.00 C ATOM 609 CG LYS A 38 -7.787 5.038 -13.389 1.00 0.00 C ATOM 610 CD LYS A 38 -7.823 6.554 -13.483 1.00 0.00 C ATOM 611 CE LYS A 38 -9.244 7.068 -13.656 1.00 0.00 C ATOM 612 NZ LYS A 38 -9.289 8.555 -13.734 1.00 0.00 N ATOM 0 H LYS A 38 -7.565 3.258 -16.904 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.392 2.964 -14.372 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -7.476 5.015 -15.504 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.018 4.355 -14.998 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.577 4.695 -12.721 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.840 4.722 -12.951 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.386 6.986 -12.583 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.211 6.882 -14.323 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.676 6.643 -14.562 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.857 6.729 -12.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.274 8.867 -13.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.900 8.960 -12.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -8.725 8.877 -14.546 1.00 0.00 H new ATOM 626 N LYS A 39 -9.358 1.577 -14.727 1.00 0.00 N ATOM 627 CA LYS A 39 -10.298 0.643 -14.119 1.00 0.00 C ATOM 628 C LYS A 39 -9.638 -0.710 -13.873 1.00 0.00 C ATOM 629 O LYS A 39 -9.815 -1.316 -12.815 1.00 0.00 O ATOM 630 CB LYS A 39 -11.527 0.468 -15.013 1.00 0.00 C ATOM 631 CG LYS A 39 -12.825 0.311 -14.240 1.00 0.00 C ATOM 632 CD LYS A 39 -13.194 1.587 -13.504 1.00 0.00 C ATOM 633 CE LYS A 39 -14.156 2.441 -14.315 1.00 0.00 C ATOM 634 NZ LYS A 39 -14.340 3.792 -13.716 1.00 0.00 N ATOM 0 H LYS A 39 -9.604 1.865 -15.674 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.611 1.055 -13.160 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -11.610 1.330 -15.675 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -11.383 -0.407 -15.647 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.628 0.041 -14.926 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -12.727 -0.507 -13.526 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.648 1.337 -12.545 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -12.291 2.158 -13.290 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -13.780 2.543 -15.333 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.121 1.938 -14.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -15.003 4.343 -14.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -14.722 3.696 -12.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -13.424 4.282 -13.677 1.00 0.00 H new ATOM 648 N LEU A 40 -8.876 -1.179 -14.856 1.00 0.00 N ATOM 649 CA LEU A 40 -8.188 -2.460 -14.746 1.00 0.00 C ATOM 650 C LEU A 40 -7.221 -2.460 -13.566 1.00 0.00 C ATOM 651 O LEU A 40 -7.335 -3.281 -12.657 1.00 0.00 O ATOM 652 CB LEU A 40 -7.432 -2.768 -16.039 1.00 0.00 C ATOM 653 CG LEU A 40 -8.286 -2.896 -17.301 1.00 0.00 C ATOM 654 CD1 LEU A 40 -7.434 -2.696 -18.545 1.00 0.00 C ATOM 655 CD2 LEU A 40 -8.980 -4.250 -17.341 1.00 0.00 C ATOM 0 H LEU A 40 -8.719 -0.691 -15.738 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.938 -3.233 -14.578 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.695 -1.982 -16.201 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.881 -3.698 -15.901 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.050 -2.119 -17.279 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.059 -2.791 -19.433 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.984 -1.703 -18.522 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.648 -3.450 -18.573 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.583 -4.323 -18.246 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.232 -5.043 -17.339 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.623 -4.355 -16.467 1.00 0.00 H new ATOM 667 N ALA A 41 -6.271 -1.531 -13.587 1.00 0.00 N ATOM 668 CA ALA A 41 -5.287 -1.420 -12.518 1.00 0.00 C ATOM 669 C ALA A 41 -5.963 -1.190 -11.171 1.00 0.00 C ATOM 670 O ALA A 41 -5.518 -1.706 -10.146 1.00 0.00 O ATOM 671 CB ALA A 41 -4.306 -0.296 -12.817 1.00 0.00 C ATOM 0 H ALA A 41 -6.162 -0.844 -14.333 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.739 -2.361 -12.464 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.577 -0.225 -12.010 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.790 -0.503 -13.755 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.847 0.646 -12.901 1.00 0.00 H new ATOM 677 N GLU A 42 -7.041 -0.412 -11.180 1.00 0.00 N ATOM 678 CA GLU A 42 -7.778 -0.112 -9.958 1.00 0.00 C ATOM 679 C GLU A 42 -8.327 -1.389 -9.327 1.00 0.00 C ATOM 680 O GLU A 42 -8.177 -1.615 -8.126 1.00 0.00 O ATOM 681 CB GLU A 42 -8.924 0.858 -10.251 1.00 0.00 C ATOM 682 CG GLU A 42 -8.520 2.320 -10.165 1.00 0.00 C ATOM 683 CD GLU A 42 -9.599 3.255 -10.676 1.00 0.00 C ATOM 684 OE1 GLU A 42 -10.259 2.906 -11.677 1.00 0.00 O ATOM 685 OE2 GLU A 42 -9.784 4.334 -10.076 1.00 0.00 O ATOM 0 H GLU A 42 -7.423 0.022 -12.020 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.089 0.354 -9.254 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.314 0.656 -11.248 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.735 0.672 -9.547 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.290 2.569 -9.129 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.608 2.475 -10.741 1.00 0.00 H new ATOM 692 N SER A 43 -8.963 -2.220 -10.146 1.00 0.00 N ATOM 693 CA SER A 43 -9.538 -3.472 -9.669 1.00 0.00 C ATOM 694 C SER A 43 -8.444 -4.484 -9.342 1.00 0.00 C ATOM 695 O SER A 43 -8.434 -5.079 -8.264 1.00 0.00 O ATOM 696 CB SER A 43 -10.489 -4.054 -10.718 1.00 0.00 C ATOM 697 OG SER A 43 -11.044 -5.281 -10.278 1.00 0.00 O ATOM 0 H SER A 43 -9.093 -2.049 -11.143 1.00 0.00 H new ATOM 0 HA SER A 43 -10.098 -3.261 -8.758 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.289 -3.342 -10.923 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.952 -4.209 -11.654 1.00 0.00 H new ATOM 0 HG SER A 43 -11.519 -5.710 -11.020 1.00 0.00 H new ATOM 703 N LEU A 44 -7.523 -4.673 -10.280 1.00 0.00 N ATOM 704 CA LEU A 44 -6.422 -5.612 -10.094 1.00 0.00 C ATOM 705 C LEU A 44 -6.941 -6.980 -9.662 1.00 0.00 C ATOM 706 O LEU A 44 -6.527 -7.516 -8.634 1.00 0.00 O ATOM 707 CB LEU A 44 -5.439 -5.075 -9.052 1.00 0.00 C ATOM 708 CG LEU A 44 -3.955 -5.201 -9.402 1.00 0.00 C ATOM 709 CD1 LEU A 44 -3.658 -4.506 -10.722 1.00 0.00 C ATOM 710 CD2 LEU A 44 -3.094 -4.625 -8.288 1.00 0.00 C ATOM 0 H LEU A 44 -7.516 -4.188 -11.178 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.906 -5.724 -11.048 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.663 -4.022 -8.879 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.616 -5.597 -8.112 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.714 -6.259 -9.509 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.598 -4.606 -10.955 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.249 -4.964 -11.515 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.914 -3.450 -10.643 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.041 -4.723 -8.554 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.336 -3.571 -8.149 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.286 -5.167 -7.362 1.00 0.00 H new ATOM 722 N SER A 45 -7.847 -7.541 -10.456 1.00 0.00 N ATOM 723 CA SER A 45 -8.424 -8.846 -10.156 1.00 0.00 C ATOM 724 C SER A 45 -8.592 -9.672 -11.428 1.00 0.00 C ATOM 725 O SER A 45 -9.228 -9.233 -12.386 1.00 0.00 O ATOM 726 CB SER A 45 -9.776 -8.682 -9.459 1.00 0.00 C ATOM 727 OG SER A 45 -9.699 -7.723 -8.418 1.00 0.00 O ATOM 0 H SER A 45 -8.198 -7.112 -11.312 1.00 0.00 H new ATOM 0 HA SER A 45 -7.741 -9.372 -9.489 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.529 -8.375 -10.185 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.098 -9.641 -9.052 1.00 0.00 H new ATOM 0 HG SER A 45 -10.576 -7.635 -7.989 1.00 0.00 H new ATOM 733 N SER A 46 -8.016 -10.870 -11.429 1.00 0.00 N ATOM 734 CA SER A 46 -8.098 -11.756 -12.583 1.00 0.00 C ATOM 735 C SER A 46 -9.552 -12.024 -12.960 1.00 0.00 C ATOM 736 O SER A 46 -9.885 -12.160 -14.138 1.00 0.00 O ATOM 737 CB SER A 46 -7.384 -13.077 -12.291 1.00 0.00 C ATOM 738 OG SER A 46 -6.755 -13.046 -11.021 1.00 0.00 O ATOM 0 H SER A 46 -7.488 -11.249 -10.643 1.00 0.00 H new ATOM 0 HA SER A 46 -7.607 -11.264 -13.423 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.101 -13.897 -12.325 1.00 0.00 H new ATOM 0 HB3 SER A 46 -6.641 -13.271 -13.064 1.00 0.00 H new ATOM 0 HG SER A 46 -7.005 -13.845 -10.512 1.00 0.00 H new ATOM 744 N ASP A 47 -10.414 -12.099 -11.952 1.00 0.00 N ATOM 745 CA ASP A 47 -11.833 -12.350 -12.176 1.00 0.00 C ATOM 746 C ASP A 47 -12.366 -11.480 -13.310 1.00 0.00 C ATOM 747 O ASP A 47 -12.563 -10.274 -13.160 1.00 0.00 O ATOM 748 CB ASP A 47 -12.627 -12.085 -10.896 1.00 0.00 C ATOM 749 CG ASP A 47 -12.087 -12.857 -9.709 1.00 0.00 C ATOM 750 OD1 ASP A 47 -12.269 -14.091 -9.671 1.00 0.00 O ATOM 751 OD2 ASP A 47 -11.483 -12.226 -8.816 1.00 0.00 O ATOM 0 H ASP A 47 -10.155 -11.990 -10.972 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.952 -13.396 -12.458 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.605 -11.018 -10.672 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.671 -12.355 -11.057 1.00 0.00 H new ATOM 756 N PRO A 48 -12.604 -12.105 -14.473 1.00 0.00 N ATOM 757 CA PRO A 48 -13.117 -11.407 -15.656 1.00 0.00 C ATOM 758 C PRO A 48 -14.566 -10.963 -15.484 1.00 0.00 C ATOM 759 O PRO A 48 -15.104 -10.234 -16.317 1.00 0.00 O ATOM 760 CB PRO A 48 -13.007 -12.457 -16.763 1.00 0.00 C ATOM 761 CG PRO A 48 -13.060 -13.765 -16.052 1.00 0.00 C ATOM 762 CD PRO A 48 -12.392 -13.540 -14.723 1.00 0.00 C ATOM 0 HA PRO A 48 -12.562 -10.492 -15.862 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -13.823 -12.363 -17.480 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -12.077 -12.347 -17.321 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -14.090 -14.096 -15.920 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -12.546 -14.540 -16.621 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -12.837 -14.154 -13.940 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -11.331 -13.789 -14.759 1.00 0.00 H new ATOM 770 N GLU A 49 -15.192 -11.409 -14.399 1.00 0.00 N ATOM 771 CA GLU A 49 -16.579 -11.057 -14.120 1.00 0.00 C ATOM 772 C GLU A 49 -16.718 -9.562 -13.848 1.00 0.00 C ATOM 773 O GLU A 49 -17.577 -8.892 -14.421 1.00 0.00 O ATOM 774 CB GLU A 49 -17.100 -11.855 -12.922 1.00 0.00 C ATOM 775 CG GLU A 49 -17.064 -13.359 -13.131 1.00 0.00 C ATOM 776 CD GLU A 49 -18.048 -14.095 -12.242 1.00 0.00 C ATOM 777 OE1 GLU A 49 -19.059 -13.483 -11.841 1.00 0.00 O ATOM 778 OE2 GLU A 49 -17.805 -15.285 -11.947 1.00 0.00 O ATOM 0 H GLU A 49 -14.761 -12.014 -13.700 1.00 0.00 H new ATOM 0 HA GLU A 49 -17.173 -11.305 -14.999 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -16.506 -11.604 -12.043 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -18.125 -11.550 -12.711 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -17.285 -13.582 -14.175 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -16.057 -13.726 -12.933 1.00 0.00 H new ATOM 785 N VAL A 50 -15.865 -9.045 -12.968 1.00 0.00 N ATOM 786 CA VAL A 50 -15.891 -7.630 -12.619 1.00 0.00 C ATOM 787 C VAL A 50 -15.450 -6.766 -13.796 1.00 0.00 C ATOM 788 O VAL A 50 -15.931 -5.646 -13.973 1.00 0.00 O ATOM 789 CB VAL A 50 -14.984 -7.333 -11.410 1.00 0.00 C ATOM 790 CG1 VAL A 50 -15.408 -8.164 -10.208 1.00 0.00 C ATOM 791 CG2 VAL A 50 -13.527 -7.593 -11.761 1.00 0.00 C ATOM 0 H VAL A 50 -15.148 -9.586 -12.484 1.00 0.00 H new ATOM 0 HA VAL A 50 -16.921 -7.387 -12.359 1.00 0.00 H new ATOM 0 HB VAL A 50 -15.089 -6.280 -11.149 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -14.756 -7.941 -9.363 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -16.438 -7.924 -9.945 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -15.334 -9.223 -10.454 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.900 -7.378 -10.895 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -13.403 -8.637 -12.049 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -13.232 -6.950 -12.591 1.00 0.00 H new ATOM 801 N LEU A 51 -14.531 -7.293 -14.598 1.00 0.00 N ATOM 802 CA LEU A 51 -14.024 -6.570 -15.759 1.00 0.00 C ATOM 803 C LEU A 51 -15.112 -6.408 -16.817 1.00 0.00 C ATOM 804 O LEU A 51 -15.202 -5.370 -17.475 1.00 0.00 O ATOM 805 CB LEU A 51 -12.822 -7.304 -16.356 1.00 0.00 C ATOM 806 CG LEU A 51 -11.863 -7.947 -15.354 1.00 0.00 C ATOM 807 CD1 LEU A 51 -10.666 -8.551 -16.073 1.00 0.00 C ATOM 808 CD2 LEU A 51 -11.407 -6.925 -14.322 1.00 0.00 C ATOM 0 H LEU A 51 -14.122 -8.218 -14.466 1.00 0.00 H new ATOM 0 HA LEU A 51 -13.711 -5.579 -15.431 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -13.192 -8.081 -17.025 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -12.258 -6.599 -16.967 1.00 0.00 H new ATOM 0 HG LEU A 51 -12.392 -8.747 -14.836 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.994 -9.004 -15.344 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.009 -9.313 -16.773 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.136 -7.769 -16.618 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -10.725 -7.400 -13.617 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.896 -6.104 -14.824 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.273 -6.539 -13.785 1.00 0.00 H new ATOM 820 N LEU A 52 -15.936 -7.437 -16.973 1.00 0.00 N ATOM 821 CA LEU A 52 -17.020 -7.408 -17.949 1.00 0.00 C ATOM 822 C LEU A 52 -17.974 -6.251 -17.669 1.00 0.00 C ATOM 823 O LEU A 52 -18.672 -5.780 -18.566 1.00 0.00 O ATOM 824 CB LEU A 52 -17.787 -8.731 -17.929 1.00 0.00 C ATOM 825 CG LEU A 52 -17.197 -9.862 -18.773 1.00 0.00 C ATOM 826 CD1 LEU A 52 -17.654 -11.214 -18.248 1.00 0.00 C ATOM 827 CD2 LEU A 52 -17.586 -9.695 -20.234 1.00 0.00 C ATOM 0 H LEU A 52 -15.875 -8.302 -16.436 1.00 0.00 H new ATOM 0 HA LEU A 52 -16.582 -7.264 -18.937 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -17.855 -9.073 -16.896 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -18.805 -8.543 -18.270 1.00 0.00 H new ATOM 0 HG LEU A 52 -16.110 -9.816 -18.700 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -17.224 -12.006 -18.861 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -17.324 -11.334 -17.216 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -18.742 -11.272 -18.290 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -17.158 -10.508 -20.820 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -18.672 -9.714 -20.326 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -17.207 -8.742 -20.605 1.00 0.00 H new ATOM 839 N GLN A 53 -17.995 -5.796 -16.420 1.00 0.00 N ATOM 840 CA GLN A 53 -18.861 -4.693 -16.024 1.00 0.00 C ATOM 841 C GLN A 53 -18.234 -3.351 -16.387 1.00 0.00 C ATOM 842 O GLN A 53 -18.862 -2.302 -16.241 1.00 0.00 O ATOM 843 CB GLN A 53 -19.139 -4.750 -14.521 1.00 0.00 C ATOM 844 CG GLN A 53 -19.742 -6.067 -14.063 1.00 0.00 C ATOM 845 CD GLN A 53 -20.349 -5.981 -12.676 1.00 0.00 C ATOM 846 OE1 GLN A 53 -21.251 -5.180 -12.429 1.00 0.00 O ATOM 847 NE2 GLN A 53 -19.856 -6.808 -11.761 1.00 0.00 N ATOM 0 H GLN A 53 -17.422 -6.175 -15.666 1.00 0.00 H new ATOM 0 HA GLN A 53 -19.802 -4.791 -16.564 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -18.208 -4.579 -13.981 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -19.816 -3.938 -14.254 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -20.509 -6.377 -14.772 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -18.971 -6.837 -14.071 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -19.108 -7.456 -12.009 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -20.225 -6.795 -10.810 1.00 0.00 H new ATOM 856 N ILE A 54 -16.993 -3.392 -16.860 1.00 0.00 N ATOM 857 CA ILE A 54 -16.282 -2.179 -17.244 1.00 0.00 C ATOM 858 C ILE A 54 -16.437 -1.900 -18.735 1.00 0.00 C ATOM 859 O ILE A 54 -16.063 -2.722 -19.573 1.00 0.00 O ATOM 860 CB ILE A 54 -14.783 -2.273 -16.904 1.00 0.00 C ATOM 861 CG1 ILE A 54 -14.594 -2.586 -15.418 1.00 0.00 C ATOM 862 CG2 ILE A 54 -14.075 -0.978 -17.271 1.00 0.00 C ATOM 863 CD1 ILE A 54 -13.156 -2.857 -15.036 1.00 0.00 C ATOM 0 H ILE A 54 -16.459 -4.252 -16.986 1.00 0.00 H new ATOM 0 HA ILE A 54 -16.724 -1.361 -16.675 1.00 0.00 H new ATOM 0 HB ILE A 54 -14.343 -3.083 -17.486 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.966 -1.748 -14.828 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -15.200 -3.454 -15.158 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -13.016 -1.060 -17.025 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -14.186 -0.793 -18.339 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -14.515 -0.152 -16.712 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -13.097 -3.071 -13.969 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -12.785 -3.714 -15.599 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -12.548 -1.982 -15.264 1.00 0.00 H new ATOM 875 N ASP A 55 -16.989 -0.736 -19.060 1.00 0.00 N ATOM 876 CA ASP A 55 -17.190 -0.347 -20.451 1.00 0.00 C ATOM 877 C ASP A 55 -15.874 -0.384 -21.222 1.00 0.00 C ATOM 878 O ASP A 55 -14.939 0.350 -20.908 1.00 0.00 O ATOM 879 CB ASP A 55 -17.801 1.053 -20.528 1.00 0.00 C ATOM 880 CG ASP A 55 -18.556 1.284 -21.822 1.00 0.00 C ATOM 881 OD1 ASP A 55 -17.916 1.265 -22.895 1.00 0.00 O ATOM 882 OD2 ASP A 55 -19.788 1.484 -21.763 1.00 0.00 O ATOM 0 H ASP A 55 -17.305 -0.045 -18.379 1.00 0.00 H new ATOM 0 HA ASP A 55 -17.877 -1.061 -20.906 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -18.477 1.198 -19.685 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -17.010 1.797 -20.434 1.00 0.00 H new ATOM 887 N GLY A 56 -15.810 -1.246 -22.232 1.00 0.00 N ATOM 888 CA GLY A 56 -14.604 -1.364 -23.031 1.00 0.00 C ATOM 889 C GLY A 56 -13.903 -2.693 -22.830 1.00 0.00 C ATOM 890 O GLY A 56 -12.674 -2.762 -22.833 1.00 0.00 O ATOM 0 H GLY A 56 -16.571 -1.865 -22.511 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.857 -1.246 -24.085 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.921 -0.554 -22.774 1.00 0.00 H new ATOM 894 N VAL A 57 -14.686 -3.753 -22.653 1.00 0.00 N ATOM 895 CA VAL A 57 -14.133 -5.086 -22.448 1.00 0.00 C ATOM 896 C VAL A 57 -15.042 -6.155 -23.046 1.00 0.00 C ATOM 897 O VAL A 57 -16.076 -6.498 -22.473 1.00 0.00 O ATOM 898 CB VAL A 57 -13.924 -5.384 -20.952 1.00 0.00 C ATOM 899 CG1 VAL A 57 -13.277 -6.748 -20.764 1.00 0.00 C ATOM 900 CG2 VAL A 57 -13.085 -4.293 -20.304 1.00 0.00 C ATOM 0 H VAL A 57 -15.705 -3.714 -22.648 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.167 -5.109 -22.953 1.00 0.00 H new ATOM 0 HB VAL A 57 -14.898 -5.400 -20.463 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -13.137 -6.941 -19.700 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -13.920 -7.518 -21.191 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.310 -6.764 -21.266 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -12.947 -4.520 -19.247 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -12.113 -4.242 -20.794 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.593 -3.334 -20.406 1.00 0.00 H new ATOM 910 N THR A 58 -14.648 -6.680 -24.202 1.00 0.00 N ATOM 911 CA THR A 58 -15.426 -7.710 -24.878 1.00 0.00 C ATOM 912 C THR A 58 -14.751 -9.072 -24.766 1.00 0.00 C ATOM 913 O THR A 58 -13.570 -9.163 -24.433 1.00 0.00 O ATOM 914 CB THR A 58 -15.631 -7.373 -26.367 1.00 0.00 C ATOM 915 OG1 THR A 58 -15.648 -5.952 -26.550 1.00 0.00 O ATOM 916 CG2 THR A 58 -16.931 -7.971 -26.884 1.00 0.00 C ATOM 0 H THR A 58 -13.794 -6.408 -24.690 1.00 0.00 H new ATOM 0 HA THR A 58 -16.397 -7.747 -24.384 1.00 0.00 H new ATOM 0 HB THR A 58 -14.803 -7.802 -26.931 1.00 0.00 H new ATOM 0 HG1 THR A 58 -15.777 -5.746 -27.499 1.00 0.00 H new ATOM 0 HG21 THR A 58 -17.054 -7.719 -27.937 1.00 0.00 H new ATOM 0 HG22 THR A 58 -16.903 -9.055 -26.770 1.00 0.00 H new ATOM 0 HG23 THR A 58 -17.769 -7.568 -26.315 1.00 0.00 H new ATOM 924 N GLU A 59 -15.509 -10.128 -25.045 1.00 0.00 N ATOM 925 CA GLU A 59 -14.982 -11.486 -24.975 1.00 0.00 C ATOM 926 C GLU A 59 -13.737 -11.632 -25.844 1.00 0.00 C ATOM 927 O GLU A 59 -12.742 -12.225 -25.427 1.00 0.00 O ATOM 928 CB GLU A 59 -16.047 -12.493 -25.415 1.00 0.00 C ATOM 929 CG GLU A 59 -15.608 -13.941 -25.276 1.00 0.00 C ATOM 930 CD GLU A 59 -16.362 -14.871 -26.207 1.00 0.00 C ATOM 931 OE1 GLU A 59 -17.531 -15.190 -25.907 1.00 0.00 O ATOM 932 OE2 GLU A 59 -15.783 -15.279 -27.235 1.00 0.00 O ATOM 0 H GLU A 59 -16.489 -10.069 -25.321 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.706 -11.689 -23.940 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -16.949 -12.337 -24.824 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -16.310 -12.300 -26.455 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.540 -14.014 -25.482 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.757 -14.265 -24.246 1.00 0.00 H new ATOM 939 N ASP A 60 -13.801 -11.088 -27.055 1.00 0.00 N ATOM 940 CA ASP A 60 -12.679 -11.157 -27.984 1.00 0.00 C ATOM 941 C ASP A 60 -11.501 -10.331 -27.476 1.00 0.00 C ATOM 942 O ASP A 60 -10.354 -10.777 -27.515 1.00 0.00 O ATOM 943 CB ASP A 60 -13.104 -10.663 -29.368 1.00 0.00 C ATOM 944 CG ASP A 60 -13.727 -11.761 -30.207 1.00 0.00 C ATOM 945 OD1 ASP A 60 -13.248 -12.912 -30.131 1.00 0.00 O ATOM 946 OD2 ASP A 60 -14.695 -11.470 -30.941 1.00 0.00 O ATOM 0 H ASP A 60 -14.618 -10.595 -27.416 1.00 0.00 H new ATOM 0 HA ASP A 60 -12.365 -12.198 -28.059 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.817 -9.846 -29.256 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.236 -10.259 -29.889 1.00 0.00 H new ATOM 951 N LYS A 61 -11.792 -9.125 -27.000 1.00 0.00 N ATOM 952 CA LYS A 61 -10.758 -8.236 -26.483 1.00 0.00 C ATOM 953 C LYS A 61 -10.037 -8.871 -25.298 1.00 0.00 C ATOM 954 O LYS A 61 -8.807 -8.930 -25.266 1.00 0.00 O ATOM 955 CB LYS A 61 -11.370 -6.898 -26.065 1.00 0.00 C ATOM 956 CG LYS A 61 -12.120 -6.195 -27.183 1.00 0.00 C ATOM 957 CD LYS A 61 -12.159 -4.691 -26.970 1.00 0.00 C ATOM 958 CE LYS A 61 -12.521 -3.956 -28.251 1.00 0.00 C ATOM 959 NZ LYS A 61 -13.943 -4.173 -28.633 1.00 0.00 N ATOM 0 H LYS A 61 -12.736 -8.741 -26.962 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.031 -8.064 -27.277 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.052 -7.065 -25.231 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.577 -6.243 -25.703 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.642 -6.416 -28.138 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.138 -6.582 -27.239 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -12.886 -4.451 -26.194 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.188 -4.348 -26.614 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.339 -2.889 -28.121 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.872 -4.294 -29.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -14.149 -3.655 -29.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.111 -5.188 -28.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.563 -3.827 -27.873 1.00 0.00 H new ATOM 973 N LEU A 62 -10.809 -9.344 -24.327 1.00 0.00 N ATOM 974 CA LEU A 62 -10.244 -9.977 -23.140 1.00 0.00 C ATOM 975 C LEU A 62 -9.592 -11.310 -23.491 1.00 0.00 C ATOM 976 O LEU A 62 -8.676 -11.763 -22.805 1.00 0.00 O ATOM 977 CB LEU A 62 -11.331 -10.190 -22.085 1.00 0.00 C ATOM 978 CG LEU A 62 -12.456 -11.153 -22.466 1.00 0.00 C ATOM 979 CD1 LEU A 62 -12.045 -12.591 -22.188 1.00 0.00 C ATOM 980 CD2 LEU A 62 -13.733 -10.807 -21.713 1.00 0.00 C ATOM 0 H LEU A 62 -11.828 -9.302 -24.338 1.00 0.00 H new ATOM 0 HA LEU A 62 -9.478 -9.315 -22.736 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.858 -10.557 -21.174 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.773 -9.222 -21.847 1.00 0.00 H new ATOM 0 HG LEU A 62 -12.649 -11.051 -23.534 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -12.858 -13.262 -22.465 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -11.158 -12.835 -22.772 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -11.824 -12.708 -21.127 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -14.523 -11.503 -21.997 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -13.554 -10.879 -20.640 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -14.038 -9.791 -21.962 1.00 0.00 H new ATOM 992 N GLU A 63 -10.069 -11.932 -24.565 1.00 0.00 N ATOM 993 CA GLU A 63 -9.530 -13.212 -25.007 1.00 0.00 C ATOM 994 C GLU A 63 -8.162 -13.031 -25.659 1.00 0.00 C ATOM 995 O GLU A 63 -7.297 -13.902 -25.566 1.00 0.00 O ATOM 996 CB GLU A 63 -10.492 -13.883 -25.991 1.00 0.00 C ATOM 997 CG GLU A 63 -9.917 -15.124 -26.653 1.00 0.00 C ATOM 998 CD GLU A 63 -10.929 -15.841 -27.525 1.00 0.00 C ATOM 999 OE1 GLU A 63 -11.743 -15.154 -28.179 1.00 0.00 O ATOM 1000 OE2 GLU A 63 -10.908 -17.089 -27.554 1.00 0.00 O ATOM 0 H GLU A 63 -10.827 -11.570 -25.144 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.414 -13.850 -24.131 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.407 -14.153 -25.464 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.769 -13.165 -26.763 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -9.056 -14.842 -27.259 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.556 -15.807 -25.884 1.00 0.00 H new ATOM 1007 N LYS A 64 -7.975 -11.894 -26.321 1.00 0.00 N ATOM 1008 CA LYS A 64 -6.714 -11.597 -26.990 1.00 0.00 C ATOM 1009 C LYS A 64 -5.744 -10.904 -26.038 1.00 0.00 C ATOM 1010 O LYS A 64 -4.600 -11.331 -25.882 1.00 0.00 O ATOM 1011 CB LYS A 64 -6.959 -10.715 -28.216 1.00 0.00 C ATOM 1012 CG LYS A 64 -7.830 -11.371 -29.273 1.00 0.00 C ATOM 1013 CD LYS A 64 -7.107 -12.518 -29.959 1.00 0.00 C ATOM 1014 CE LYS A 64 -8.085 -13.538 -30.521 1.00 0.00 C ATOM 1015 NZ LYS A 64 -7.633 -14.075 -31.834 1.00 0.00 N ATOM 0 H LYS A 64 -8.681 -11.163 -26.408 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.270 -12.540 -27.311 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.429 -9.785 -27.896 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.000 -10.451 -28.661 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.746 -11.741 -28.812 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.124 -10.629 -30.015 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.485 -12.127 -30.764 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.440 -13.006 -29.248 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.200 -14.359 -29.813 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -9.066 -13.076 -30.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -8.326 -14.767 -32.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.547 -13.295 -32.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.709 -14.538 -31.720 1.00 0.00 H new ATOM 1029 N TYR A 65 -6.209 -9.834 -25.403 1.00 0.00 N ATOM 1030 CA TYR A 65 -5.382 -9.081 -24.467 1.00 0.00 C ATOM 1031 C TYR A 65 -5.670 -9.499 -23.028 1.00 0.00 C ATOM 1032 O TYR A 65 -4.757 -9.812 -22.265 1.00 0.00 O ATOM 1033 CB TYR A 65 -5.624 -7.580 -24.632 1.00 0.00 C ATOM 1034 CG TYR A 65 -6.221 -7.207 -25.970 1.00 0.00 C ATOM 1035 CD1 TYR A 65 -5.547 -7.477 -27.155 1.00 0.00 C ATOM 1036 CD2 TYR A 65 -7.461 -6.585 -26.050 1.00 0.00 C ATOM 1037 CE1 TYR A 65 -6.089 -7.138 -28.379 1.00 0.00 C ATOM 1038 CE2 TYR A 65 -8.012 -6.243 -27.270 1.00 0.00 C ATOM 1039 CZ TYR A 65 -7.321 -6.521 -28.432 1.00 0.00 C ATOM 1040 OH TYR A 65 -7.865 -6.182 -29.650 1.00 0.00 O ATOM 0 H TYR A 65 -7.154 -9.468 -25.519 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.337 -9.300 -24.688 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.289 -7.238 -23.839 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -4.679 -7.052 -24.505 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.582 -7.961 -27.118 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.004 -6.365 -25.143 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -5.551 -7.355 -29.290 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -8.978 -5.761 -27.314 1.00 0.00 H new ATOM 0 HH TYR A 65 -8.737 -5.756 -29.512 1.00 0.00 H new ATOM 1050 N GLY A 66 -6.949 -9.501 -22.664 1.00 0.00 N ATOM 1051 CA GLY A 66 -7.337 -9.881 -21.319 1.00 0.00 C ATOM 1052 C GLY A 66 -6.595 -11.108 -20.826 1.00 0.00 C ATOM 1053 O GLY A 66 -6.348 -11.253 -19.630 1.00 0.00 O ATOM 0 H GLY A 66 -7.723 -9.246 -23.277 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.148 -9.049 -20.641 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.409 -10.075 -21.295 1.00 0.00 H new ATOM 1057 N ALA A 67 -6.240 -11.994 -21.751 1.00 0.00 N ATOM 1058 CA ALA A 67 -5.521 -13.213 -21.405 1.00 0.00 C ATOM 1059 C ALA A 67 -4.325 -12.910 -20.508 1.00 0.00 C ATOM 1060 O ALA A 67 -4.214 -13.444 -19.405 1.00 0.00 O ATOM 1061 CB ALA A 67 -5.069 -13.935 -22.665 1.00 0.00 C ATOM 0 H ALA A 67 -6.439 -11.890 -22.746 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.201 -13.861 -20.852 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.533 -14.844 -22.391 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.939 -14.194 -23.268 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.410 -13.285 -23.240 1.00 0.00 H new ATOM 1067 N GLU A 68 -3.433 -12.050 -20.990 1.00 0.00 N ATOM 1068 CA GLU A 68 -2.245 -11.678 -20.231 1.00 0.00 C ATOM 1069 C GLU A 68 -2.627 -10.971 -18.934 1.00 0.00 C ATOM 1070 O GLU A 68 -1.946 -11.105 -17.917 1.00 0.00 O ATOM 1071 CB GLU A 68 -1.340 -10.774 -21.070 1.00 0.00 C ATOM 1072 CG GLU A 68 -1.810 -9.330 -21.131 1.00 0.00 C ATOM 1073 CD GLU A 68 -1.253 -8.487 -20.000 1.00 0.00 C ATOM 1074 OE1 GLU A 68 -0.535 -9.043 -19.143 1.00 0.00 O ATOM 1075 OE2 GLU A 68 -1.535 -7.270 -19.974 1.00 0.00 O ATOM 0 H GLU A 68 -3.511 -11.599 -21.901 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.704 -12.591 -19.981 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.331 -10.802 -20.659 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.282 -11.172 -22.083 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.512 -8.895 -22.085 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.899 -9.305 -21.096 1.00 0.00 H new ATOM 1082 N VAL A 69 -3.721 -10.217 -18.977 1.00 0.00 N ATOM 1083 CA VAL A 69 -4.195 -9.490 -17.806 1.00 0.00 C ATOM 1084 C VAL A 69 -4.562 -10.445 -16.677 1.00 0.00 C ATOM 1085 O VAL A 69 -4.184 -10.234 -15.524 1.00 0.00 O ATOM 1086 CB VAL A 69 -5.418 -8.618 -18.145 1.00 0.00 C ATOM 1087 CG1 VAL A 69 -5.756 -7.697 -16.982 1.00 0.00 C ATOM 1088 CG2 VAL A 69 -5.167 -7.817 -19.414 1.00 0.00 C ATOM 0 H VAL A 69 -4.296 -10.094 -19.811 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.378 -8.846 -17.481 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.272 -9.273 -18.319 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.623 -7.088 -17.240 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.982 -8.294 -16.099 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.906 -7.048 -16.773 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.042 -7.207 -19.638 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.301 -7.171 -19.271 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.978 -8.499 -20.243 1.00 0.00 H new ATOM 1098 N ILE A 70 -5.301 -11.497 -17.016 1.00 0.00 N ATOM 1099 CA ILE A 70 -5.718 -12.486 -16.030 1.00 0.00 C ATOM 1100 C ILE A 70 -4.532 -13.310 -15.542 1.00 0.00 C ATOM 1101 O ILE A 70 -4.446 -13.657 -14.364 1.00 0.00 O ATOM 1102 CB ILE A 70 -6.787 -13.435 -16.603 1.00 0.00 C ATOM 1103 CG1 ILE A 70 -8.023 -12.644 -17.036 1.00 0.00 C ATOM 1104 CG2 ILE A 70 -7.162 -14.492 -15.575 1.00 0.00 C ATOM 1105 CD1 ILE A 70 -9.151 -13.515 -17.544 1.00 0.00 C ATOM 0 H ILE A 70 -5.623 -11.686 -17.965 1.00 0.00 H new ATOM 0 HA ILE A 70 -6.144 -11.935 -15.191 1.00 0.00 H new ATOM 0 HB ILE A 70 -6.375 -13.937 -17.478 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.382 -12.055 -16.192 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -7.738 -11.940 -17.818 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.918 -15.155 -15.994 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -6.278 -15.072 -15.310 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.559 -14.007 -14.683 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.994 -12.887 -17.833 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.810 -14.085 -18.408 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.463 -14.202 -16.757 1.00 0.00 H new ATOM 1117 N SER A 71 -3.617 -13.620 -16.456 1.00 0.00 N ATOM 1118 CA SER A 71 -2.436 -14.405 -16.120 1.00 0.00 C ATOM 1119 C SER A 71 -1.615 -13.716 -15.034 1.00 0.00 C ATOM 1120 O SER A 71 -1.230 -14.335 -14.043 1.00 0.00 O ATOM 1121 CB SER A 71 -1.573 -14.626 -17.364 1.00 0.00 C ATOM 1122 OG SER A 71 -0.859 -13.451 -17.705 1.00 0.00 O ATOM 0 H SER A 71 -3.672 -13.339 -17.435 1.00 0.00 H new ATOM 0 HA SER A 71 -2.769 -15.371 -15.741 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.873 -15.442 -17.184 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.205 -14.927 -18.200 1.00 0.00 H new ATOM 0 HG SER A 71 -1.480 -12.695 -17.757 1.00 0.00 H new ATOM 1128 N VAL A 72 -1.352 -12.427 -15.229 1.00 0.00 N ATOM 1129 CA VAL A 72 -0.578 -11.651 -14.268 1.00 0.00 C ATOM 1130 C VAL A 72 -1.371 -11.415 -12.987 1.00 0.00 C ATOM 1131 O VAL A 72 -0.821 -11.457 -11.886 1.00 0.00 O ATOM 1132 CB VAL A 72 -0.155 -10.292 -14.855 1.00 0.00 C ATOM 1133 CG1 VAL A 72 -1.376 -9.483 -15.264 1.00 0.00 C ATOM 1134 CG2 VAL A 72 0.694 -9.521 -13.855 1.00 0.00 C ATOM 0 H VAL A 72 -1.664 -11.899 -16.044 1.00 0.00 H new ATOM 0 HA VAL A 72 0.315 -12.232 -14.037 1.00 0.00 H new ATOM 0 HB VAL A 72 0.447 -10.473 -15.746 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.057 -8.526 -15.677 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.941 -10.032 -16.017 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.007 -9.310 -14.392 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.984 -8.563 -14.286 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.119 -9.350 -12.945 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.588 -10.097 -13.616 1.00 0.00 H new ATOM 1144 N LEU A 73 -2.668 -11.166 -13.139 1.00 0.00 N ATOM 1145 CA LEU A 73 -3.539 -10.923 -11.994 1.00 0.00 C ATOM 1146 C LEU A 73 -3.648 -12.168 -11.119 1.00 0.00 C ATOM 1147 O LEU A 73 -3.859 -12.071 -9.911 1.00 0.00 O ATOM 1148 CB LEU A 73 -4.929 -10.494 -12.468 1.00 0.00 C ATOM 1149 CG LEU A 73 -5.037 -9.079 -13.036 1.00 0.00 C ATOM 1150 CD1 LEU A 73 -6.255 -8.958 -13.939 1.00 0.00 C ATOM 1151 CD2 LEU A 73 -5.102 -8.056 -11.911 1.00 0.00 C ATOM 0 H LEU A 73 -3.139 -11.127 -14.043 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.102 -10.121 -11.399 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.264 -11.197 -13.231 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.620 -10.581 -11.629 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.147 -8.879 -13.632 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.316 -7.944 -14.334 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.168 -9.665 -14.764 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.156 -9.179 -13.366 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -5.179 -7.054 -12.334 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.974 -8.255 -11.288 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.200 -8.125 -11.304 1.00 0.00 H new ATOM 1163 N GLN A 74 -3.501 -13.334 -11.738 1.00 0.00 N ATOM 1164 CA GLN A 74 -3.582 -14.598 -11.015 1.00 0.00 C ATOM 1165 C GLN A 74 -2.235 -14.960 -10.399 1.00 0.00 C ATOM 1166 O GLN A 74 -2.169 -15.489 -9.290 1.00 0.00 O ATOM 1167 CB GLN A 74 -4.047 -15.716 -11.950 1.00 0.00 C ATOM 1168 CG GLN A 74 -5.498 -16.119 -11.743 1.00 0.00 C ATOM 1169 CD GLN A 74 -5.807 -16.467 -10.300 1.00 0.00 C ATOM 1170 OE1 GLN A 74 -4.917 -16.841 -9.535 1.00 0.00 O ATOM 1171 NE2 GLN A 74 -7.073 -16.345 -9.920 1.00 0.00 N ATOM 0 H GLN A 74 -3.325 -13.430 -12.738 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.309 -14.482 -10.211 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.912 -15.394 -12.983 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -3.412 -16.589 -11.803 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -6.147 -15.304 -12.063 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -5.727 -16.976 -12.376 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.778 -16.032 -10.587 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -7.341 -16.565 -8.961 1.00 0.00 H new ATOM 1180 N LYS A 75 -1.161 -14.672 -11.127 1.00 0.00 N ATOM 1181 CA LYS A 75 0.186 -14.967 -10.653 1.00 0.00 C ATOM 1182 C LYS A 75 0.509 -14.162 -9.398 1.00 0.00 C ATOM 1183 O LYS A 75 0.877 -14.725 -8.367 1.00 0.00 O ATOM 1184 CB LYS A 75 1.212 -14.660 -11.747 1.00 0.00 C ATOM 1185 CG LYS A 75 1.268 -15.712 -12.841 1.00 0.00 C ATOM 1186 CD LYS A 75 2.697 -16.139 -13.131 1.00 0.00 C ATOM 1187 CE LYS A 75 2.953 -16.251 -14.626 1.00 0.00 C ATOM 1188 NZ LYS A 75 4.408 -16.265 -14.940 1.00 0.00 N ATOM 0 H LYS A 75 -1.198 -14.235 -12.048 1.00 0.00 H new ATOM 0 HA LYS A 75 0.234 -16.027 -10.406 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.975 -13.695 -12.195 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.198 -14.568 -11.293 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.681 -16.581 -12.542 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.814 -15.318 -13.750 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.389 -15.418 -12.695 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.895 -17.099 -12.654 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.491 -17.162 -15.006 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.479 -15.415 -15.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.540 -16.342 -15.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.845 -15.385 -14.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.857 -17.078 -14.471 1.00 0.00 H new ATOM 1202 N TYR A 76 0.369 -12.845 -9.493 1.00 0.00 N ATOM 1203 CA TYR A 76 0.646 -11.964 -8.365 1.00 0.00 C ATOM 1204 C TYR A 76 -0.323 -12.227 -7.216 1.00 0.00 C ATOM 1205 O TYR A 76 -0.001 -11.990 -6.052 1.00 0.00 O ATOM 1206 CB TYR A 76 0.554 -10.500 -8.800 1.00 0.00 C ATOM 1207 CG TYR A 76 -0.747 -9.834 -8.413 1.00 0.00 C ATOM 1208 CD1 TYR A 76 -1.916 -10.084 -9.121 1.00 0.00 C ATOM 1209 CD2 TYR A 76 -0.808 -8.956 -7.338 1.00 0.00 C ATOM 1210 CE1 TYR A 76 -3.106 -9.477 -8.772 1.00 0.00 C ATOM 1211 CE2 TYR A 76 -1.994 -8.345 -6.980 1.00 0.00 C ATOM 1212 CZ TYR A 76 -3.141 -8.609 -7.701 1.00 0.00 C ATOM 1213 OH TYR A 76 -4.325 -8.004 -7.348 1.00 0.00 O ATOM 0 H TYR A 76 0.065 -12.364 -10.340 1.00 0.00 H new ATOM 0 HA TYR A 76 1.658 -12.170 -8.016 1.00 0.00 H new ATOM 0 HB2 TYR A 76 1.382 -9.946 -8.358 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.674 -10.443 -9.882 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -1.893 -10.765 -9.959 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.088 -8.747 -6.772 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.005 -9.681 -9.335 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.024 -7.665 -6.141 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.940 -8.018 -8.111 1.00 0.00 H new ATOM 1223 N SER A 77 -1.511 -12.718 -7.554 1.00 0.00 N ATOM 1224 CA SER A 77 -2.529 -13.011 -6.552 1.00 0.00 C ATOM 1225 C SER A 77 -2.197 -14.296 -5.799 1.00 0.00 C ATOM 1226 O SER A 77 -2.666 -14.511 -4.682 1.00 0.00 O ATOM 1227 CB SER A 77 -3.903 -13.135 -7.213 1.00 0.00 C ATOM 1228 OG SER A 77 -4.871 -13.611 -6.293 1.00 0.00 O ATOM 0 H SER A 77 -1.792 -12.921 -8.513 1.00 0.00 H new ATOM 0 HA SER A 77 -2.549 -12.187 -5.838 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.212 -12.165 -7.601 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.841 -13.814 -8.064 1.00 0.00 H new ATOM 0 HG SER A 77 -5.741 -13.680 -6.740 1.00 0.00 H new ATOM 1234 N GLU A 78 -1.384 -15.145 -6.420 1.00 0.00 N ATOM 1235 CA GLU A 78 -0.989 -16.409 -5.809 1.00 0.00 C ATOM 1236 C GLU A 78 -0.437 -16.184 -4.404 1.00 0.00 C ATOM 1237 O GLU A 78 -0.558 -17.046 -3.533 1.00 0.00 O ATOM 1238 CB GLU A 78 0.057 -17.114 -6.674 1.00 0.00 C ATOM 1239 CG GLU A 78 0.350 -18.539 -6.234 1.00 0.00 C ATOM 1240 CD GLU A 78 1.739 -18.998 -6.631 1.00 0.00 C ATOM 1241 OE1 GLU A 78 1.918 -19.403 -7.799 1.00 0.00 O ATOM 1242 OE2 GLU A 78 2.647 -18.953 -5.776 1.00 0.00 O ATOM 0 H GLU A 78 -0.986 -14.981 -7.345 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.874 -17.041 -5.736 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.287 -17.125 -7.708 1.00 0.00 H new ATOM 0 HB3 GLU A 78 0.982 -16.538 -6.652 1.00 0.00 H new ATOM 0 HG2 GLU A 78 0.243 -18.610 -5.152 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.389 -19.210 -6.672 1.00 0.00 H new ATOM 1249 N TRP A 79 0.171 -15.023 -4.193 1.00 0.00 N ATOM 1250 CA TRP A 79 0.743 -14.685 -2.894 1.00 0.00 C ATOM 1251 C TRP A 79 -0.296 -14.827 -1.788 1.00 0.00 C ATOM 1252 O TRP A 79 0.036 -15.152 -0.647 1.00 0.00 O ATOM 1253 CB TRP A 79 1.295 -13.258 -2.913 1.00 0.00 C ATOM 1254 CG TRP A 79 2.242 -12.973 -1.787 1.00 0.00 C ATOM 1255 CD1 TRP A 79 3.531 -13.411 -1.670 1.00 0.00 C ATOM 1256 CD2 TRP A 79 1.975 -12.189 -0.619 1.00 0.00 C ATOM 1257 NE1 TRP A 79 4.080 -12.946 -0.499 1.00 0.00 N ATOM 1258 CE2 TRP A 79 3.147 -12.193 0.162 1.00 0.00 C ATOM 1259 CE3 TRP A 79 0.861 -11.482 -0.159 1.00 0.00 C ATOM 1260 CZ2 TRP A 79 3.232 -11.519 1.378 1.00 0.00 C ATOM 1261 CZ3 TRP A 79 0.947 -10.814 1.047 1.00 0.00 C ATOM 1262 CH2 TRP A 79 2.126 -10.835 1.804 1.00 0.00 C ATOM 0 H TRP A 79 0.281 -14.300 -4.904 1.00 0.00 H new ATOM 0 HA TRP A 79 1.558 -15.380 -2.692 1.00 0.00 H new ATOM 0 HB2 TRP A 79 1.806 -13.086 -3.860 1.00 0.00 H new ATOM 0 HB3 TRP A 79 0.464 -12.554 -2.867 1.00 0.00 H new ATOM 0 HD1 TRP A 79 4.043 -14.031 -2.391 1.00 0.00 H new ATOM 0 HE1 TRP A 79 5.029 -13.132 -0.175 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -0.051 -11.458 -0.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 4.139 -11.536 1.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 0.091 -10.266 1.413 1.00 0.00 H new ATOM 0 HH2 TRP A 79 2.163 -10.301 2.742 1.00 0.00 H new ATOM 1273 N THR A 80 -1.557 -14.580 -2.130 1.00 0.00 N ATOM 1274 CA THR A 80 -2.645 -14.680 -1.165 1.00 0.00 C ATOM 1275 C THR A 80 -3.991 -14.815 -1.867 1.00 0.00 C ATOM 1276 O THR A 80 -4.616 -13.819 -2.230 1.00 0.00 O ATOM 1277 CB THR A 80 -2.685 -13.452 -0.235 1.00 0.00 C ATOM 1278 OG1 THR A 80 -1.448 -13.337 0.477 1.00 0.00 O ATOM 1279 CG2 THR A 80 -3.837 -13.559 0.752 1.00 0.00 C ATOM 0 H THR A 80 -1.850 -14.309 -3.069 1.00 0.00 H new ATOM 0 HA THR A 80 -2.458 -15.573 -0.568 1.00 0.00 H new ATOM 0 HB THR A 80 -2.834 -12.563 -0.848 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.984 -12.521 0.197 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.845 -12.681 1.398 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.779 -13.617 0.207 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.713 -14.455 1.360 1.00 0.00 H new ATOM 1287 N SER A 81 -4.434 -16.055 -2.054 1.00 0.00 N ATOM 1288 CA SER A 81 -5.706 -16.321 -2.715 1.00 0.00 C ATOM 1289 C SER A 81 -6.543 -17.306 -1.906 1.00 0.00 C ATOM 1290 O SER A 81 -6.694 -18.474 -2.265 1.00 0.00 O ATOM 1291 CB SER A 81 -5.468 -16.872 -4.122 1.00 0.00 C ATOM 1292 OG SER A 81 -4.371 -17.769 -4.140 1.00 0.00 O ATOM 0 H SER A 81 -3.930 -16.891 -1.757 1.00 0.00 H new ATOM 0 HA SER A 81 -6.253 -15.381 -2.788 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.365 -17.383 -4.472 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.280 -16.049 -4.811 1.00 0.00 H new ATOM 0 HG SER A 81 -4.241 -18.108 -5.050 1.00 0.00 H new ATOM 1298 N PRO A 82 -7.102 -16.825 -0.785 1.00 0.00 N ATOM 1299 CA PRO A 82 -7.935 -17.646 0.099 1.00 0.00 C ATOM 1300 C PRO A 82 -9.275 -18.004 -0.533 1.00 0.00 C ATOM 1301 O PRO A 82 -9.721 -17.350 -1.476 1.00 0.00 O ATOM 1302 CB PRO A 82 -8.143 -16.750 1.323 1.00 0.00 C ATOM 1303 CG PRO A 82 -7.985 -15.362 0.807 1.00 0.00 C ATOM 1304 CD PRO A 82 -6.966 -15.443 -0.296 1.00 0.00 C ATOM 0 HA PRO A 82 -7.465 -18.603 0.328 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -9.130 -16.900 1.760 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -7.413 -16.968 2.102 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -8.933 -14.974 0.435 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.653 -14.688 1.596 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -7.167 -14.717 -1.083 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.959 -15.244 0.071 1.00 0.00 H new ATOM 1312 N ALA A 83 -9.914 -19.044 -0.008 1.00 0.00 N ATOM 1313 CA ALA A 83 -11.205 -19.486 -0.520 1.00 0.00 C ATOM 1314 C ALA A 83 -12.351 -18.854 0.262 1.00 0.00 C ATOM 1315 O ALA A 83 -12.801 -19.398 1.270 1.00 0.00 O ATOM 1316 CB ALA A 83 -11.302 -21.004 -0.467 1.00 0.00 C ATOM 0 H ALA A 83 -9.558 -19.596 0.772 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.286 -19.163 -1.558 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -12.271 -21.320 -0.852 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.510 -21.441 -1.075 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.195 -21.340 0.564 1.00 0.00 H new ATOM 1322 N GLU A 84 -12.818 -17.702 -0.209 1.00 0.00 N ATOM 1323 CA GLU A 84 -13.911 -16.995 0.448 1.00 0.00 C ATOM 1324 C GLU A 84 -15.254 -17.374 -0.171 1.00 0.00 C ATOM 1325 O GLU A 84 -16.311 -17.094 0.394 1.00 0.00 O ATOM 1326 CB GLU A 84 -13.701 -15.483 0.351 1.00 0.00 C ATOM 1327 CG GLU A 84 -12.859 -14.912 1.480 1.00 0.00 C ATOM 1328 CD GLU A 84 -13.210 -13.471 1.799 1.00 0.00 C ATOM 1329 OE1 GLU A 84 -12.823 -12.579 1.016 1.00 0.00 O ATOM 1330 OE2 GLU A 84 -13.873 -13.237 2.831 1.00 0.00 O ATOM 0 H GLU A 84 -12.457 -17.239 -1.043 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.919 -17.287 1.498 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -13.223 -15.251 -0.601 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.673 -14.989 0.348 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.995 -15.521 2.373 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.805 -14.974 1.209 1.00 0.00 H new ATOM 1337 N ASP A 85 -15.203 -18.011 -1.336 1.00 0.00 N ATOM 1338 CA ASP A 85 -16.414 -18.429 -2.033 1.00 0.00 C ATOM 1339 C ASP A 85 -17.065 -19.614 -1.327 1.00 0.00 C ATOM 1340 O ASP A 85 -17.922 -20.293 -1.894 1.00 0.00 O ATOM 1341 CB ASP A 85 -16.093 -18.797 -3.482 1.00 0.00 C ATOM 1342 CG ASP A 85 -15.827 -17.577 -4.343 1.00 0.00 C ATOM 1343 OD1 ASP A 85 -16.803 -16.987 -4.853 1.00 0.00 O ATOM 1344 OD2 ASP A 85 -14.644 -17.213 -4.507 1.00 0.00 O ATOM 0 H ASP A 85 -14.336 -18.249 -1.818 1.00 0.00 H new ATOM 0 HA ASP A 85 -17.115 -17.594 -2.025 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -15.221 -19.451 -3.503 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -16.925 -19.361 -3.903 1.00 0.00 H new TER 1349 ASP A 85