USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 911 hydrogens (32 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 66 MET CE :methyl 155:sc= -0.202 (180deg=0) USER MOD Set 1.2: A 85 MET CE :methyl -129:sc= -3.23! (180deg=-5.13!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -109:sc= 0.0834 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 170:sc= -0.0503 USER MOD Single : A 11 LYS NZ :NH3+ -98:sc= -0.0068 (180deg=-1.12) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -1.32 X(o=-1.3,f=-0.83) USER MOD Single : A 25 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.063) USER MOD Single : A 28 HIS : no HD1:sc= -4.84! C(o=-4.8!,f=-7.5!) USER MOD Single : A 30 TYR OH : rot 176:sc= -1.54 USER MOD Single : A 31 LYS NZ :NH3+ -177:sc= -0.865 (180deg=-0.885) USER MOD Single : A 35 THR OG1 : rot -150:sc= -2.06 USER MOD Single : A 36 GLN : amide:sc= -1.07 K(o=-1.1,f=-3.5!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -2.33! K(o=-2.3!,f=-0.5) USER MOD Single : A 46 MET CE :methyl 137:sc= -0.431 (180deg=-2.87!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.203 K(o=-0.2,f=-1) USER MOD Single : A 52 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0337) USER MOD Single : A 56 SER OG : rot 50:sc= 0.318 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 99:sc= 0.773 USER MOD Single : A 71 MET CE :methyl -151:sc= -2.53! (180deg=-4.91!) USER MOD Single : A 76 THR OG1 : rot -109:sc= 1.34 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl 152:sc= -3.3! (180deg=-5.65!) USER MOD Single : A 95 GLN : amide:sc= -0.419 X(o=-0.42,f=-0.91) USER MOD Single : A 108 SER OG : rot -170:sc= -0.187 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 200 PLM O1 : rot 121:sc= 1 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.503 1.315 -2.457 1.00 2.12 N ATOM 2 CA MET A 1 2.859 1.126 -2.960 1.00 55.40 C ATOM 3 C MET A 1 3.295 -0.328 -2.814 1.00 43.44 C ATOM 4 O MET A 1 2.572 -1.149 -2.251 1.00 21.44 O ATOM 5 CB MET A 1 3.834 2.041 -2.217 1.00 1.43 C ATOM 6 CG MET A 1 4.135 3.336 -2.955 1.00 14.10 C ATOM 7 SD MET A 1 5.669 3.257 -3.899 1.00 63.13 S ATOM 8 CE MET A 1 5.338 4.461 -5.183 1.00 63.32 C ATOM 0 H1 MET A 1 0.857 1.484 -3.255 1.00 2.12 H new ATOM 0 H2 MET A 1 1.202 0.463 -1.942 1.00 2.12 H new ATOM 0 H3 MET A 1 1.482 2.133 -1.815 1.00 2.12 H new ATOM 0 HA MET A 1 2.866 1.384 -4.019 1.00 55.40 H new ATOM 0 HB2 MET A 1 3.421 2.279 -1.237 1.00 1.43 H new ATOM 0 HB3 MET A 1 4.767 1.503 -2.048 1.00 1.43 H new ATOM 0 HG2 MET A 1 3.310 3.566 -3.629 1.00 14.10 H new ATOM 0 HG3 MET A 1 4.197 4.153 -2.236 1.00 14.10 H new ATOM 0 HE1 MET A 1 6.197 4.527 -5.850 1.00 63.32 H new ATOM 0 HE2 MET A 1 4.460 4.155 -5.752 1.00 63.32 H new ATOM 0 HE3 MET A 1 5.155 5.435 -4.730 1.00 63.32 H new ATOM 18 N SER A 2 4.483 -0.639 -3.324 1.00 54.23 N ATOM 19 CA SER A 2 5.015 -1.994 -3.253 1.00 32.41 C ATOM 20 C SER A 2 6.346 -2.019 -2.508 1.00 10.23 C ATOM 21 O SER A 2 7.299 -1.341 -2.894 1.00 4.44 O ATOM 22 CB SER A 2 5.193 -2.569 -4.660 1.00 33.45 C ATOM 23 OG SER A 2 4.080 -2.264 -5.481 1.00 15.20 O ATOM 0 H SER A 2 5.095 0.030 -3.791 1.00 54.23 H new ATOM 0 HA SER A 2 4.302 -2.609 -2.704 1.00 32.41 H new ATOM 0 HB2 SER A 2 6.101 -2.166 -5.109 1.00 33.45 H new ATOM 0 HB3 SER A 2 5.320 -3.650 -4.601 1.00 33.45 H new ATOM 0 HG SER A 2 4.220 -2.641 -6.375 1.00 15.20 H new ATOM 29 N LEU A 3 6.404 -2.804 -1.438 1.00 73.31 N ATOM 30 CA LEU A 3 7.617 -2.918 -0.638 1.00 75.02 C ATOM 31 C LEU A 3 8.716 -3.640 -1.413 1.00 14.53 C ATOM 32 O LEU A 3 8.499 -4.101 -2.533 1.00 42.22 O ATOM 33 CB LEU A 3 7.324 -3.663 0.666 1.00 63.32 C ATOM 34 CG LEU A 3 7.241 -2.802 1.927 1.00 12.11 C ATOM 35 CD1 LEU A 3 6.144 -3.311 2.849 1.00 30.40 C ATOM 36 CD2 LEU A 3 8.580 -2.782 2.648 1.00 14.33 C ATOM 0 H LEU A 3 5.624 -3.371 -1.105 1.00 73.31 H new ATOM 0 HA LEU A 3 7.964 -1.911 -0.405 1.00 75.02 H new ATOM 0 HB2 LEU A 3 6.380 -4.197 0.552 1.00 63.32 H new ATOM 0 HB3 LEU A 3 8.100 -4.415 0.814 1.00 63.32 H new ATOM 0 HG LEU A 3 6.995 -1.782 1.632 1.00 12.11 H new ATOM 0 HD11 LEU A 3 6.100 -2.686 3.741 1.00 30.40 H new ATOM 0 HD12 LEU A 3 5.186 -3.272 2.331 1.00 30.40 H new ATOM 0 HD13 LEU A 3 6.359 -4.340 3.137 1.00 30.40 H new ATOM 0 HD21 LEU A 3 8.502 -2.165 3.543 1.00 14.33 H new ATOM 0 HD22 LEU A 3 8.856 -3.798 2.931 1.00 14.33 H new ATOM 0 HD23 LEU A 3 9.343 -2.369 1.988 1.00 14.33 H new ATOM 48 N LYS A 4 9.895 -3.735 -0.808 1.00 74.23 N ATOM 49 CA LYS A 4 11.027 -4.402 -1.438 1.00 53.11 C ATOM 50 C LYS A 4 10.786 -5.905 -1.538 1.00 23.13 C ATOM 51 O LYS A 4 10.711 -6.460 -2.634 1.00 33.14 O ATOM 52 CB LYS A 4 12.309 -4.132 -0.648 1.00 4.34 C ATOM 53 CG LYS A 4 13.344 -3.334 -1.422 1.00 14.11 C ATOM 54 CD LYS A 4 12.850 -1.931 -1.730 1.00 62.11 C ATOM 55 CE LYS A 4 13.351 -0.925 -0.705 1.00 4.50 C ATOM 56 NZ LYS A 4 14.517 -0.150 -1.214 1.00 25.42 N1+ ATOM 0 H LYS A 4 10.091 -3.358 0.119 1.00 74.23 H new ATOM 0 HA LYS A 4 11.138 -4.001 -2.446 1.00 53.11 H new ATOM 0 HB2 LYS A 4 12.056 -3.594 0.265 1.00 4.34 H new ATOM 0 HB3 LYS A 4 12.747 -5.083 -0.346 1.00 4.34 H new ATOM 0 HG2 LYS A 4 14.267 -3.277 -0.845 1.00 14.11 H new ATOM 0 HG3 LYS A 4 13.581 -3.850 -2.353 1.00 14.11 H new ATOM 0 HD2 LYS A 4 13.185 -1.636 -2.724 1.00 62.11 H new ATOM 0 HD3 LYS A 4 11.760 -1.923 -1.746 1.00 62.11 H new ATOM 0 HE2 LYS A 4 12.545 -0.239 -0.445 1.00 4.50 H new ATOM 0 HE3 LYS A 4 13.633 -1.447 0.209 1.00 4.50 H new ATOM 0 HZ1 LYS A 4 14.829 0.525 -0.487 1.00 25.42 H new ATOM 0 HZ2 LYS A 4 15.296 -0.802 -1.439 1.00 25.42 H new ATOM 0 HZ3 LYS A 4 14.241 0.369 -2.072 1.00 25.42 H new ATOM 70 N SER A 5 10.663 -6.558 -0.387 1.00 45.41 N ATOM 71 CA SER A 5 10.431 -7.997 -0.345 1.00 45.22 C ATOM 72 C SER A 5 9.373 -8.407 -1.364 1.00 54.53 C ATOM 73 O SER A 5 9.412 -9.513 -1.905 1.00 44.30 O ATOM 74 CB SER A 5 9.996 -8.425 1.058 1.00 53.55 C ATOM 75 OG SER A 5 8.836 -7.722 1.469 1.00 22.21 O ATOM 0 H SER A 5 10.720 -6.113 0.529 1.00 45.41 H new ATOM 0 HA SER A 5 11.366 -8.497 -0.596 1.00 45.22 H new ATOM 0 HB2 SER A 5 9.799 -9.497 1.070 1.00 53.55 H new ATOM 0 HB3 SER A 5 10.805 -8.242 1.765 1.00 53.55 H new ATOM 0 HG SER A 5 8.489 -8.118 2.296 1.00 22.21 H new ATOM 81 N ASP A 6 8.430 -7.509 -1.621 1.00 52.44 N ATOM 82 CA ASP A 6 7.360 -7.775 -2.577 1.00 71.01 C ATOM 83 C ASP A 6 7.930 -8.194 -3.929 1.00 21.35 C ATOM 84 O ASP A 6 7.526 -9.208 -4.495 1.00 22.51 O ATOM 85 CB ASP A 6 6.475 -6.538 -2.744 1.00 22.02 C ATOM 86 CG ASP A 6 5.079 -6.885 -3.220 1.00 15.21 C ATOM 87 OD1 ASP A 6 4.959 -7.536 -4.279 1.00 45.13 O1- ATOM 88 OD2 ASP A 6 4.107 -6.505 -2.534 1.00 43.34 O ATOM 0 H ASP A 6 8.384 -6.590 -1.181 1.00 52.44 H new ATOM 0 HA ASP A 6 6.755 -8.594 -2.188 1.00 71.01 H new ATOM 0 HB2 ASP A 6 6.410 -6.010 -1.793 1.00 22.02 H new ATOM 0 HB3 ASP A 6 6.940 -5.856 -3.456 1.00 22.02 H new ATOM 93 N GLU A 7 8.871 -7.404 -4.439 1.00 34.23 N ATOM 94 CA GLU A 7 9.495 -7.693 -5.724 1.00 34.02 C ATOM 95 C GLU A 7 10.036 -9.119 -5.759 1.00 65.44 C ATOM 96 O GLU A 7 9.938 -9.807 -6.774 1.00 4.31 O ATOM 97 CB GLU A 7 10.625 -6.700 -6.002 1.00 60.23 C ATOM 98 CG GLU A 7 10.712 -6.267 -7.456 1.00 53.31 C ATOM 99 CD GLU A 7 10.919 -4.773 -7.608 1.00 52.50 C ATOM 100 OE1 GLU A 7 11.721 -4.203 -6.840 1.00 23.23 O1- ATOM 101 OE2 GLU A 7 10.277 -4.173 -8.497 1.00 42.03 O ATOM 0 H GLU A 7 9.217 -6.560 -3.982 1.00 34.23 H new ATOM 0 HA GLU A 7 8.734 -7.593 -6.498 1.00 34.02 H new ATOM 0 HB2 GLU A 7 10.484 -5.818 -5.377 1.00 60.23 H new ATOM 0 HB3 GLU A 7 11.573 -7.150 -5.709 1.00 60.23 H new ATOM 0 HG2 GLU A 7 11.534 -6.795 -7.940 1.00 53.31 H new ATOM 0 HG3 GLU A 7 9.798 -6.558 -7.973 1.00 53.31 H new ATOM 108 N VAL A 8 10.607 -9.556 -4.641 1.00 74.30 N ATOM 109 CA VAL A 8 11.164 -10.900 -4.541 1.00 35.34 C ATOM 110 C VAL A 8 10.110 -11.956 -4.859 1.00 41.31 C ATOM 111 O VAL A 8 10.268 -12.746 -5.789 1.00 60.20 O ATOM 112 CB VAL A 8 11.736 -11.168 -3.137 1.00 62.21 C ATOM 113 CG1 VAL A 8 12.122 -12.632 -2.988 1.00 15.23 C ATOM 114 CG2 VAL A 8 12.929 -10.265 -2.867 1.00 74.14 C ATOM 0 H VAL A 8 10.696 -8.999 -3.791 1.00 74.30 H new ATOM 0 HA VAL A 8 11.971 -10.964 -5.271 1.00 35.34 H new ATOM 0 HB VAL A 8 10.964 -10.943 -2.401 1.00 62.21 H new ATOM 0 HG11 VAL A 8 12.524 -12.802 -1.989 1.00 15.23 H new ATOM 0 HG12 VAL A 8 11.242 -13.257 -3.136 1.00 15.23 H new ATOM 0 HG13 VAL A 8 12.877 -12.887 -3.732 1.00 15.23 H new ATOM 0 HG21 VAL A 8 13.321 -10.468 -1.870 1.00 74.14 H new ATOM 0 HG22 VAL A 8 13.705 -10.456 -3.608 1.00 74.14 H new ATOM 0 HG23 VAL A 8 12.618 -9.222 -2.929 1.00 74.14 H new ATOM 124 N PHE A 9 9.034 -11.963 -4.079 1.00 5.40 N ATOM 125 CA PHE A 9 7.954 -12.923 -4.276 1.00 4.42 C ATOM 126 C PHE A 9 7.527 -12.968 -5.740 1.00 14.12 C ATOM 127 O PHE A 9 7.348 -14.043 -6.313 1.00 72.03 O ATOM 128 CB PHE A 9 6.756 -12.561 -3.395 1.00 14.30 C ATOM 129 CG PHE A 9 7.099 -12.437 -1.938 1.00 1.13 C ATOM 130 CD1 PHE A 9 7.886 -13.390 -1.314 1.00 64.03 C ATOM 131 CD2 PHE A 9 6.634 -11.365 -1.193 1.00 71.40 C ATOM 132 CE1 PHE A 9 8.203 -13.277 0.027 1.00 45.45 C ATOM 133 CE2 PHE A 9 6.949 -11.246 0.148 1.00 70.23 C ATOM 134 CZ PHE A 9 7.734 -12.205 0.758 1.00 3.11 C ATOM 0 H PHE A 9 8.887 -11.315 -3.305 1.00 5.40 H new ATOM 0 HA PHE A 9 8.321 -13.909 -3.992 1.00 4.42 H new ATOM 0 HB2 PHE A 9 6.332 -11.619 -3.742 1.00 14.30 H new ATOM 0 HB3 PHE A 9 5.984 -13.321 -3.515 1.00 14.30 H new ATOM 0 HD1 PHE A 9 8.256 -14.231 -1.881 1.00 64.03 H new ATOM 0 HD2 PHE A 9 6.018 -10.614 -1.665 1.00 71.40 H new ATOM 0 HE1 PHE A 9 8.817 -14.027 0.502 1.00 45.45 H new ATOM 0 HE2 PHE A 9 6.582 -10.405 0.717 1.00 70.23 H new ATOM 0 HZ PHE A 9 7.980 -12.116 1.806 1.00 3.11 H new ATOM 144 N ALA A 10 7.367 -11.793 -6.340 1.00 54.15 N ATOM 145 CA ALA A 10 6.964 -11.699 -7.738 1.00 71.40 C ATOM 146 C ALA A 10 7.988 -12.362 -8.651 1.00 23.42 C ATOM 147 O ALA A 10 7.635 -13.164 -9.518 1.00 32.34 O ATOM 148 CB ALA A 10 6.766 -10.242 -8.132 1.00 11.12 C ATOM 0 H ALA A 10 7.510 -10.894 -5.880 1.00 54.15 H new ATOM 0 HA ALA A 10 6.018 -12.228 -7.855 1.00 71.40 H new ATOM 0 HB1 ALA A 10 6.465 -10.186 -9.178 1.00 11.12 H new ATOM 0 HB2 ALA A 10 5.991 -9.798 -7.507 1.00 11.12 H new ATOM 0 HB3 ALA A 10 7.700 -9.697 -7.993 1.00 11.12 H new ATOM 154 N LYS A 11 9.257 -12.023 -8.455 1.00 53.04 N ATOM 155 CA LYS A 11 10.334 -12.586 -9.259 1.00 71.11 C ATOM 156 C LYS A 11 10.284 -14.110 -9.246 1.00 34.23 C ATOM 157 O LYS A 11 10.317 -14.751 -10.298 1.00 35.32 O ATOM 158 CB LYS A 11 11.691 -12.105 -8.742 1.00 75.32 C ATOM 159 CG LYS A 11 11.858 -10.596 -8.782 1.00 51.04 C ATOM 160 CD LYS A 11 12.661 -10.156 -9.995 1.00 31.12 C ATOM 161 CE LYS A 11 11.768 -9.950 -11.209 1.00 2.51 C ATOM 162 NZ LYS A 11 12.000 -10.989 -12.251 1.00 32.05 N1+ ATOM 0 H LYS A 11 9.565 -11.359 -7.744 1.00 53.04 H new ATOM 0 HA LYS A 11 10.202 -12.245 -10.286 1.00 71.11 H new ATOM 0 HB2 LYS A 11 11.822 -12.449 -7.716 1.00 75.32 H new ATOM 0 HB3 LYS A 11 12.480 -12.565 -9.336 1.00 75.32 H new ATOM 0 HG2 LYS A 11 10.877 -10.121 -8.802 1.00 51.04 H new ATOM 0 HG3 LYS A 11 12.357 -10.260 -7.873 1.00 51.04 H new ATOM 0 HD2 LYS A 11 13.187 -9.229 -9.768 1.00 31.12 H new ATOM 0 HD3 LYS A 11 13.419 -10.906 -10.222 1.00 31.12 H new ATOM 0 HE2 LYS A 11 10.723 -9.973 -10.899 1.00 2.51 H new ATOM 0 HE3 LYS A 11 11.953 -8.963 -11.633 1.00 2.51 H new ATOM 0 HZ1 LYS A 11 12.641 -10.613 -12.979 1.00 32.05 H new ATOM 0 HZ2 LYS A 11 12.428 -11.830 -11.814 1.00 32.05 H new ATOM 0 HZ3 LYS A 11 11.093 -11.250 -12.689 1.00 32.05 H new ATOM 176 N ILE A 12 10.203 -14.684 -8.050 1.00 21.10 N ATOM 177 CA ILE A 12 10.146 -16.133 -7.902 1.00 64.54 C ATOM 178 C ILE A 12 8.960 -16.717 -8.662 1.00 34.03 C ATOM 179 O ILE A 12 9.125 -17.589 -9.515 1.00 74.53 O ATOM 180 CB ILE A 12 10.044 -16.543 -6.421 1.00 74.10 C ATOM 181 CG1 ILE A 12 11.400 -16.381 -5.730 1.00 64.04 C ATOM 182 CG2 ILE A 12 9.551 -17.978 -6.301 1.00 5.33 C ATOM 183 CD1 ILE A 12 11.425 -16.914 -4.315 1.00 2.33 C ATOM 0 H ILE A 12 10.175 -14.168 -7.170 1.00 21.10 H new ATOM 0 HA ILE A 12 11.072 -16.530 -8.318 1.00 64.54 H new ATOM 0 HB ILE A 12 9.325 -15.890 -5.927 1.00 74.10 H new ATOM 0 HG12 ILE A 12 12.161 -16.895 -6.317 1.00 64.04 H new ATOM 0 HG13 ILE A 12 11.668 -15.324 -5.716 1.00 64.04 H new ATOM 0 HG21 ILE A 12 9.484 -18.253 -5.248 1.00 5.33 H new ATOM 0 HG22 ILE A 12 8.567 -18.064 -6.762 1.00 5.33 H new ATOM 0 HG23 ILE A 12 10.248 -18.646 -6.807 1.00 5.33 H new ATOM 0 HD11 ILE A 12 12.417 -16.766 -3.888 1.00 2.33 H new ATOM 0 HD12 ILE A 12 10.687 -16.383 -3.713 1.00 2.33 H new ATOM 0 HD13 ILE A 12 11.189 -17.978 -4.323 1.00 2.33 H new ATOM 195 N ALA A 13 7.764 -16.230 -8.346 1.00 52.24 N ATOM 196 CA ALA A 13 6.550 -16.701 -9.002 1.00 63.33 C ATOM 197 C ALA A 13 6.682 -16.625 -10.519 1.00 65.53 C ATOM 198 O ALA A 13 6.490 -17.619 -11.220 1.00 52.01 O ATOM 199 CB ALA A 13 5.349 -15.893 -8.534 1.00 65.33 C ATOM 0 H ALA A 13 7.610 -15.510 -7.640 1.00 52.24 H new ATOM 0 HA ALA A 13 6.400 -17.745 -8.728 1.00 63.33 H new ATOM 0 HB1 ALA A 13 4.450 -16.256 -9.032 1.00 65.33 H new ATOM 0 HB2 ALA A 13 5.235 -16.002 -7.455 1.00 65.33 H new ATOM 0 HB3 ALA A 13 5.500 -14.842 -8.779 1.00 65.33 H new ATOM 205 N LYS A 14 7.008 -15.440 -11.022 1.00 61.31 N ATOM 206 CA LYS A 14 7.166 -15.233 -12.457 1.00 24.13 C ATOM 207 C LYS A 14 8.194 -16.199 -13.036 1.00 74.23 C ATOM 208 O LYS A 14 8.134 -16.551 -14.214 1.00 64.00 O ATOM 209 CB LYS A 14 7.589 -13.790 -12.742 1.00 55.21 C ATOM 210 CG LYS A 14 7.457 -13.395 -14.203 1.00 43.13 C ATOM 211 CD LYS A 14 8.816 -13.281 -14.874 1.00 15.10 C ATOM 212 CE LYS A 14 8.842 -12.149 -15.889 1.00 0.23 C ATOM 213 NZ LYS A 14 9.151 -12.642 -17.260 1.00 52.31 N1+ ATOM 0 H LYS A 14 7.168 -14.606 -10.456 1.00 61.31 H new ATOM 0 HA LYS A 14 6.205 -15.424 -12.934 1.00 24.13 H new ATOM 0 HB2 LYS A 14 6.983 -13.116 -12.136 1.00 55.21 H new ATOM 0 HB3 LYS A 14 8.625 -13.655 -12.430 1.00 55.21 H new ATOM 0 HG2 LYS A 14 6.852 -14.134 -14.728 1.00 43.13 H new ATOM 0 HG3 LYS A 14 6.932 -12.443 -14.278 1.00 43.13 H new ATOM 0 HD2 LYS A 14 9.583 -13.112 -14.118 1.00 15.10 H new ATOM 0 HD3 LYS A 14 9.059 -14.221 -15.369 1.00 15.10 H new ATOM 0 HE2 LYS A 14 7.877 -11.643 -15.894 1.00 0.23 H new ATOM 0 HE3 LYS A 14 9.587 -11.411 -15.592 1.00 0.23 H new ATOM 0 HZ1 LYS A 14 9.160 -11.841 -17.923 1.00 52.31 H new ATOM 0 HZ2 LYS A 14 10.083 -13.103 -17.261 1.00 52.31 H new ATOM 0 HZ3 LYS A 14 8.426 -13.327 -17.554 1.00 52.31 H new ATOM 227 N ARG A 15 9.135 -16.626 -12.200 1.00 24.20 N ATOM 228 CA ARG A 15 10.176 -17.552 -12.629 1.00 2.23 C ATOM 229 C ARG A 15 9.631 -18.974 -12.728 1.00 74.55 C ATOM 230 O ARG A 15 10.023 -19.741 -13.608 1.00 13.42 O ATOM 231 CB ARG A 15 11.356 -17.512 -11.658 1.00 52.33 C ATOM 232 CG ARG A 15 12.254 -18.735 -11.739 1.00 60.13 C ATOM 233 CD ARG A 15 12.314 -19.472 -10.410 1.00 64.22 C ATOM 234 NE ARG A 15 13.176 -18.791 -9.446 1.00 31.41 N ATOM 235 CZ ARG A 15 14.501 -18.766 -9.536 1.00 3.45 C ATOM 236 NH1 ARG A 15 15.112 -19.378 -10.541 1.00 71.10 N1+ ATOM 237 NH2 ARG A 15 15.217 -18.126 -8.620 1.00 54.20 N ATOM 0 H ARG A 15 9.198 -16.345 -11.221 1.00 24.20 H new ATOM 0 HA ARG A 15 10.518 -17.243 -13.617 1.00 2.23 H new ATOM 0 HB2 ARG A 15 11.951 -16.621 -11.859 1.00 52.33 H new ATOM 0 HB3 ARG A 15 10.975 -17.418 -10.641 1.00 52.33 H new ATOM 0 HG2 ARG A 15 11.885 -19.408 -12.513 1.00 60.13 H new ATOM 0 HG3 ARG A 15 13.259 -18.431 -12.033 1.00 60.13 H new ATOM 0 HD2 ARG A 15 11.309 -19.560 -9.998 1.00 64.22 H new ATOM 0 HD3 ARG A 15 12.682 -20.485 -10.573 1.00 64.22 H new ATOM 0 HE ARG A 15 12.736 -18.309 -8.662 1.00 31.41 H new ATOM 0 HH11 ARG A 15 14.564 -19.870 -11.247 1.00 71.10 H new ATOM 0 HH12 ARG A 15 16.130 -19.357 -10.608 1.00 71.10 H new ATOM 0 HH21 ARG A 15 14.750 -17.653 -7.846 1.00 54.20 H new ATOM 0 HH22 ARG A 15 16.234 -18.107 -8.690 1.00 54.20 H new ATOM 251 N LEU A 16 8.727 -19.320 -11.817 1.00 62.42 N ATOM 252 CA LEU A 16 8.129 -20.650 -11.799 1.00 42.54 C ATOM 253 C LEU A 16 7.299 -20.891 -13.057 1.00 3.14 C ATOM 254 O LEU A 16 7.060 -22.034 -13.444 1.00 45.05 O ATOM 255 CB LEU A 16 7.254 -20.821 -10.557 1.00 71.15 C ATOM 256 CG LEU A 16 7.931 -20.538 -9.215 1.00 53.24 C ATOM 257 CD1 LEU A 16 6.925 -20.630 -8.078 1.00 44.00 C ATOM 258 CD2 LEU A 16 9.087 -21.501 -8.987 1.00 22.33 C ATOM 0 H LEU A 16 8.393 -18.698 -11.081 1.00 62.42 H new ATOM 0 HA LEU A 16 8.935 -21.383 -11.771 1.00 42.54 H new ATOM 0 HB2 LEU A 16 6.391 -20.162 -10.652 1.00 71.15 H new ATOM 0 HB3 LEU A 16 6.875 -21.843 -10.542 1.00 71.15 H new ATOM 0 HG LEU A 16 8.329 -19.523 -9.238 1.00 53.24 H new ATOM 0 HD11 LEU A 16 7.426 -20.426 -7.132 1.00 44.00 H new ATOM 0 HD12 LEU A 16 6.132 -19.899 -8.234 1.00 44.00 H new ATOM 0 HD13 LEU A 16 6.496 -21.632 -8.052 1.00 44.00 H new ATOM 0 HD21 LEU A 16 9.557 -21.285 -8.028 1.00 22.33 H new ATOM 0 HD22 LEU A 16 8.713 -22.525 -8.985 1.00 22.33 H new ATOM 0 HD23 LEU A 16 9.821 -21.384 -9.785 1.00 22.33 H new ATOM 270 N GLU A 17 6.865 -19.805 -13.689 1.00 24.21 N ATOM 271 CA GLU A 17 6.063 -19.899 -14.904 1.00 73.03 C ATOM 272 C GLU A 17 6.766 -20.751 -15.956 1.00 53.54 C ATOM 273 O GLU A 17 6.122 -21.348 -16.818 1.00 53.11 O ATOM 274 CB GLU A 17 5.782 -18.504 -15.466 1.00 62.44 C ATOM 275 CG GLU A 17 5.152 -17.557 -14.459 1.00 32.22 C ATOM 276 CD GLU A 17 4.994 -16.150 -15.001 1.00 55.30 C ATOM 277 OE1 GLU A 17 5.609 -15.844 -16.044 1.00 64.43 O ATOM 278 OE2 GLU A 17 4.255 -15.355 -14.383 1.00 71.21 O1- ATOM 0 H GLU A 17 7.055 -18.851 -13.381 1.00 24.21 H new ATOM 0 HA GLU A 17 5.117 -20.377 -14.648 1.00 73.03 H new ATOM 0 HB2 GLU A 17 6.716 -18.071 -15.824 1.00 62.44 H new ATOM 0 HB3 GLU A 17 5.122 -18.595 -16.328 1.00 62.44 H new ATOM 0 HG2 GLU A 17 4.175 -17.941 -14.166 1.00 32.22 H new ATOM 0 HG3 GLU A 17 5.766 -17.529 -13.559 1.00 32.22 H new ATOM 285 N SER A 18 8.092 -20.803 -15.877 1.00 60.23 N ATOM 286 CA SER A 18 8.884 -21.580 -16.824 1.00 50.12 C ATOM 287 C SER A 18 8.798 -23.070 -16.512 1.00 44.52 C ATOM 288 O SER A 18 9.052 -23.912 -17.375 1.00 12.43 O ATOM 289 CB SER A 18 10.344 -21.124 -16.793 1.00 53.43 C ATOM 290 OG SER A 18 10.697 -20.460 -17.995 1.00 62.03 O ATOM 0 H SER A 18 8.640 -20.317 -15.168 1.00 60.23 H new ATOM 0 HA SER A 18 8.479 -21.413 -17.822 1.00 50.12 H new ATOM 0 HB2 SER A 18 10.502 -20.457 -15.946 1.00 53.43 H new ATOM 0 HB3 SER A 18 10.994 -21.986 -16.646 1.00 53.43 H new ATOM 0 HG SER A 18 11.634 -20.177 -17.949 1.00 62.03 H new ATOM 296 N ILE A 19 8.437 -23.389 -15.274 1.00 61.30 N ATOM 297 CA ILE A 19 8.315 -24.777 -14.848 1.00 41.24 C ATOM 298 C ILE A 19 7.497 -25.590 -15.846 1.00 31.14 C ATOM 299 O ILE A 19 6.272 -25.475 -15.898 1.00 72.51 O ATOM 300 CB ILE A 19 7.662 -24.884 -13.457 1.00 11.12 C ATOM 301 CG1 ILE A 19 8.578 -24.280 -12.391 1.00 33.03 C ATOM 302 CG2 ILE A 19 7.346 -26.337 -13.130 1.00 52.32 C ATOM 303 CD1 ILE A 19 7.957 -24.242 -11.011 1.00 70.51 C ATOM 0 H ILE A 19 8.224 -22.705 -14.548 1.00 61.30 H new ATOM 0 HA ILE A 19 9.326 -25.181 -14.798 1.00 41.24 H new ATOM 0 HB ILE A 19 6.728 -24.322 -13.467 1.00 11.12 H new ATOM 0 HG12 ILE A 19 9.502 -24.856 -12.349 1.00 33.03 H new ATOM 0 HG13 ILE A 19 8.848 -23.266 -12.687 1.00 33.03 H new ATOM 0 HG21 ILE A 19 6.885 -26.396 -12.144 1.00 52.32 H new ATOM 0 HG22 ILE A 19 6.659 -26.737 -13.876 1.00 52.32 H new ATOM 0 HG23 ILE A 19 8.267 -26.920 -13.135 1.00 52.32 H new ATOM 0 HD11 ILE A 19 8.663 -23.802 -10.307 1.00 70.51 H new ATOM 0 HD12 ILE A 19 7.048 -23.641 -11.038 1.00 70.51 H new ATOM 0 HD13 ILE A 19 7.713 -25.256 -10.694 1.00 70.51 H new ATOM 315 N ASP A 20 8.181 -26.411 -16.633 1.00 31.11 N ATOM 316 CA ASP A 20 7.518 -27.245 -17.629 1.00 60.31 C ATOM 317 C ASP A 20 7.607 -28.720 -17.249 1.00 52.22 C ATOM 318 O ASP A 20 8.605 -29.184 -16.696 1.00 2.52 O ATOM 319 CB ASP A 20 8.139 -27.023 -19.009 1.00 72.22 C ATOM 320 CG ASP A 20 7.146 -26.463 -20.008 1.00 72.21 C ATOM 321 OD1 ASP A 20 6.382 -25.548 -19.636 1.00 54.13 O1- ATOM 322 OD2 ASP A 20 7.131 -26.941 -21.162 1.00 1.44 O ATOM 0 H ASP A 20 9.195 -26.518 -16.601 1.00 31.11 H new ATOM 0 HA ASP A 20 6.467 -26.959 -17.663 1.00 60.31 H new ATOM 0 HB2 ASP A 20 8.983 -26.340 -18.918 1.00 72.22 H new ATOM 0 HB3 ASP A 20 8.533 -27.968 -19.383 1.00 72.22 H new ATOM 327 N PRO A 21 6.540 -29.475 -17.550 1.00 3.01 N ATOM 328 CA PRO A 21 6.474 -30.908 -17.249 1.00 51.32 C ATOM 329 C PRO A 21 7.421 -31.727 -18.117 1.00 31.01 C ATOM 330 O PRO A 21 7.646 -32.911 -17.862 1.00 73.52 O ATOM 331 CB PRO A 21 5.018 -31.268 -17.557 1.00 40.32 C ATOM 332 CG PRO A 21 4.580 -30.253 -18.555 1.00 41.15 C ATOM 333 CD PRO A 21 5.317 -28.987 -18.209 1.00 41.12 C ATOM 0 HA PRO A 21 6.773 -31.123 -16.223 1.00 51.32 H new ATOM 0 HB2 PRO A 21 4.936 -32.278 -17.958 1.00 40.32 H new ATOM 0 HB3 PRO A 21 4.402 -31.231 -16.658 1.00 40.32 H new ATOM 0 HG2 PRO A 21 4.814 -30.576 -19.569 1.00 41.15 H new ATOM 0 HG3 PRO A 21 3.502 -30.102 -18.510 1.00 41.15 H new ATOM 0 HD2 PRO A 21 5.546 -28.400 -19.098 1.00 41.12 H new ATOM 0 HD3 PRO A 21 4.731 -28.349 -17.548 1.00 41.12 H new ATOM 341 N ALA A 22 7.977 -31.091 -19.143 1.00 74.25 N ATOM 342 CA ALA A 22 8.903 -31.761 -20.048 1.00 71.25 C ATOM 343 C ALA A 22 10.264 -31.961 -19.390 1.00 24.44 C ATOM 344 O ALA A 22 11.105 -32.703 -19.896 1.00 64.13 O ATOM 345 CB ALA A 22 9.049 -30.967 -21.337 1.00 74.40 C ATOM 0 H ALA A 22 7.802 -30.112 -19.368 1.00 74.25 H new ATOM 0 HA ALA A 22 8.495 -32.744 -20.285 1.00 71.25 H new ATOM 0 HB1 ALA A 22 9.743 -31.479 -22.003 1.00 74.40 H new ATOM 0 HB2 ALA A 22 8.077 -30.880 -21.823 1.00 74.40 H new ATOM 0 HB3 ALA A 22 9.431 -29.972 -21.110 1.00 74.40 H new ATOM 351 N ASN A 23 10.474 -31.293 -18.261 1.00 31.42 N ATOM 352 CA ASN A 23 11.735 -31.396 -17.535 1.00 33.21 C ATOM 353 C ASN A 23 11.645 -30.691 -16.185 1.00 71.22 C ATOM 354 O ASN A 23 11.447 -29.479 -16.118 1.00 21.44 O ATOM 355 CB ASN A 23 12.874 -30.795 -18.361 1.00 24.34 C ATOM 356 CG ASN A 23 12.808 -29.281 -18.421 1.00 24.24 C ATOM 357 OD1 ASN A 23 12.129 -28.713 -19.276 1.00 64.52 O ATOM 358 ND2 ASN A 23 13.517 -28.622 -17.513 1.00 44.13 N ATOM 0 H ASN A 23 9.788 -30.675 -17.829 1.00 31.42 H new ATOM 0 HA ASN A 23 11.939 -32.452 -17.361 1.00 33.21 H new ATOM 0 HB2 ASN A 23 13.829 -31.098 -17.932 1.00 24.34 H new ATOM 0 HB3 ASN A 23 12.837 -31.198 -19.373 1.00 24.34 H new ATOM 0 HD21 ASN A 23 13.513 -27.602 -17.505 1.00 44.13 H new ATOM 0 HD22 ASN A 23 14.065 -29.136 -16.823 1.00 44.13 H new ATOM 365 N ARG A 24 11.793 -31.461 -15.111 1.00 31.34 N ATOM 366 CA ARG A 24 11.727 -30.911 -13.762 1.00 3.31 C ATOM 367 C ARG A 24 12.925 -31.363 -12.932 1.00 41.40 C ATOM 368 O ARG A 24 13.790 -32.091 -13.419 1.00 60.52 O ATOM 369 CB ARG A 24 10.428 -31.339 -13.077 1.00 43.24 C ATOM 370 CG ARG A 24 9.191 -31.140 -13.937 1.00 73.04 C ATOM 371 CD ARG A 24 8.458 -29.858 -13.572 1.00 15.52 C ATOM 372 NE ARG A 24 9.314 -28.928 -12.840 1.00 53.32 N ATOM 373 CZ ARG A 24 10.012 -27.959 -13.421 1.00 20.53 C ATOM 374 NH1 ARG A 24 9.956 -27.793 -14.735 1.00 42.41 N1+ ATOM 375 NH2 ARG A 24 10.767 -27.153 -12.686 1.00 32.13 N ATOM 0 H ARG A 24 11.959 -32.467 -15.149 1.00 31.34 H new ATOM 0 HA ARG A 24 11.749 -29.824 -13.838 1.00 3.31 H new ATOM 0 HB2 ARG A 24 10.503 -32.391 -12.801 1.00 43.24 H new ATOM 0 HB3 ARG A 24 10.312 -30.774 -12.152 1.00 43.24 H new ATOM 0 HG2 ARG A 24 9.478 -31.109 -14.988 1.00 73.04 H new ATOM 0 HG3 ARG A 24 8.521 -31.991 -13.815 1.00 73.04 H new ATOM 0 HD2 ARG A 24 8.094 -29.377 -14.480 1.00 15.52 H new ATOM 0 HD3 ARG A 24 7.584 -30.100 -12.967 1.00 15.52 H new ATOM 0 HE ARG A 24 9.379 -29.028 -11.827 1.00 53.32 H new ATOM 0 HH11 ARG A 24 9.376 -28.410 -15.303 1.00 42.41 H new ATOM 0 HH12 ARG A 24 10.493 -27.048 -15.178 1.00 42.41 H new ATOM 0 HH21 ARG A 24 10.811 -27.278 -11.675 1.00 32.13 H new ATOM 0 HH22 ARG A 24 11.303 -26.409 -13.132 1.00 32.13 H new ATOM 389 N GLN A 25 12.969 -30.925 -11.678 1.00 23.44 N ATOM 390 CA GLN A 25 14.061 -31.284 -10.782 1.00 3.41 C ATOM 391 C GLN A 25 13.529 -31.913 -9.498 1.00 43.32 C ATOM 392 O GLN A 25 14.096 -32.877 -8.985 1.00 3.03 O ATOM 393 CB GLN A 25 14.902 -30.051 -10.448 1.00 73.40 C ATOM 394 CG GLN A 25 15.827 -29.623 -11.575 1.00 65.05 C ATOM 395 CD GLN A 25 16.995 -30.571 -11.763 1.00 54.13 C ATOM 396 OE1 GLN A 25 18.029 -30.439 -11.107 1.00 72.12 O ATOM 397 NE2 GLN A 25 16.836 -31.535 -12.662 1.00 12.31 N ATOM 0 H GLN A 25 12.261 -30.321 -11.260 1.00 23.44 H new ATOM 0 HA GLN A 25 14.688 -32.016 -11.291 1.00 3.41 H new ATOM 0 HB2 GLN A 25 14.237 -29.224 -10.201 1.00 73.40 H new ATOM 0 HB3 GLN A 25 15.498 -30.258 -9.559 1.00 73.40 H new ATOM 0 HG2 GLN A 25 15.259 -29.564 -12.503 1.00 65.05 H new ATOM 0 HG3 GLN A 25 16.206 -28.622 -11.369 1.00 65.05 H new ATOM 0 HE21 GLN A 25 15.962 -31.607 -13.183 1.00 12.31 H new ATOM 0 HE22 GLN A 25 17.588 -32.203 -12.831 1.00 12.31 H new ATOM 406 N VAL A 26 12.434 -31.360 -8.984 1.00 53.35 N ATOM 407 CA VAL A 26 11.823 -31.868 -7.761 1.00 53.24 C ATOM 408 C VAL A 26 10.533 -31.122 -7.442 1.00 23.30 C ATOM 409 O VAL A 26 10.525 -29.898 -7.319 1.00 23.40 O ATOM 410 CB VAL A 26 12.784 -31.746 -6.563 1.00 62.44 C ATOM 411 CG1 VAL A 26 12.855 -30.306 -6.079 1.00 24.22 C ATOM 412 CG2 VAL A 26 12.351 -32.674 -5.438 1.00 61.33 C ATOM 0 H VAL A 26 11.952 -30.561 -9.396 1.00 53.35 H new ATOM 0 HA VAL A 26 11.598 -32.921 -7.931 1.00 53.24 H new ATOM 0 HB VAL A 26 13.781 -32.044 -6.887 1.00 62.44 H new ATOM 0 HG11 VAL A 26 13.539 -30.240 -5.233 1.00 24.22 H new ATOM 0 HG12 VAL A 26 13.215 -29.668 -6.886 1.00 24.22 H new ATOM 0 HG13 VAL A 26 11.863 -29.976 -5.771 1.00 24.22 H new ATOM 0 HG21 VAL A 26 13.040 -32.576 -4.599 1.00 61.33 H new ATOM 0 HG22 VAL A 26 11.345 -32.408 -5.114 1.00 61.33 H new ATOM 0 HG23 VAL A 26 12.357 -33.704 -5.794 1.00 61.33 H new ATOM 422 N GLU A 27 9.441 -31.871 -7.307 1.00 51.22 N ATOM 423 CA GLU A 27 8.144 -31.280 -7.002 1.00 53.14 C ATOM 424 C GLU A 27 7.742 -31.566 -5.558 1.00 20.43 C ATOM 425 O GLU A 27 7.717 -32.720 -5.125 1.00 21.25 O ATOM 426 CB GLU A 27 7.076 -31.819 -7.956 1.00 64.43 C ATOM 427 CG GLU A 27 7.571 -32.005 -9.381 1.00 1.54 C ATOM 428 CD GLU A 27 7.925 -33.446 -9.693 1.00 23.31 C ATOM 429 OE1 GLU A 27 8.103 -34.232 -8.738 1.00 13.03 O ATOM 430 OE2 GLU A 27 8.026 -33.787 -10.889 1.00 0.53 O1- ATOM 0 H GLU A 27 9.430 -32.886 -7.404 1.00 51.22 H new ATOM 0 HA GLU A 27 8.226 -30.201 -7.132 1.00 53.14 H new ATOM 0 HB2 GLU A 27 6.713 -32.775 -7.579 1.00 64.43 H new ATOM 0 HB3 GLU A 27 6.227 -31.135 -7.961 1.00 64.43 H new ATOM 0 HG2 GLU A 27 6.803 -31.665 -10.076 1.00 1.54 H new ATOM 0 HG3 GLU A 27 8.447 -31.377 -9.542 1.00 1.54 H new ATOM 437 N HIS A 28 7.430 -30.509 -4.816 1.00 1.34 N ATOM 438 CA HIS A 28 7.029 -30.645 -3.420 1.00 23.23 C ATOM 439 C HIS A 28 6.499 -29.322 -2.876 1.00 12.45 C ATOM 440 O HIS A 28 6.467 -28.315 -3.583 1.00 2.54 O ATOM 441 CB HIS A 28 8.209 -31.123 -2.573 1.00 64.15 C ATOM 442 CG HIS A 28 9.244 -30.067 -2.338 1.00 70.02 C ATOM 443 ND1 HIS A 28 9.997 -29.512 -3.351 1.00 64.13 N ATOM 444 CD2 HIS A 28 9.649 -29.463 -1.196 1.00 51.55 C ATOM 445 CE1 HIS A 28 10.821 -28.613 -2.843 1.00 15.35 C ATOM 446 NE2 HIS A 28 10.629 -28.564 -1.537 1.00 63.45 N ATOM 0 H HIS A 28 7.447 -29.548 -5.158 1.00 1.34 H new ATOM 0 HA HIS A 28 6.230 -31.385 -3.367 1.00 23.23 H new ATOM 0 HB2 HIS A 28 7.836 -31.475 -1.611 1.00 64.15 H new ATOM 0 HB3 HIS A 28 8.677 -31.976 -3.065 1.00 64.15 H new ATOM 0 HD2 HIS A 28 9.272 -29.653 -0.202 1.00 51.55 H new ATOM 0 HE1 HIS A 28 11.531 -28.019 -3.400 1.00 15.35 H new ATOM 0 HE2 HIS A 28 11.128 -27.957 -0.887 1.00 63.45 H new ATOM 454 N VAL A 29 6.085 -29.331 -1.613 1.00 54.23 N ATOM 455 CA VAL A 29 5.557 -28.132 -0.972 1.00 31.14 C ATOM 456 C VAL A 29 6.644 -27.405 -0.188 1.00 41.44 C ATOM 457 O VAL A 29 7.428 -28.026 0.530 1.00 25.11 O ATOM 458 CB VAL A 29 4.393 -28.470 -0.022 1.00 21.50 C ATOM 459 CG1 VAL A 29 4.070 -27.281 0.872 1.00 32.45 C ATOM 460 CG2 VAL A 29 3.167 -28.899 -0.815 1.00 5.11 C ATOM 0 H VAL A 29 6.105 -30.156 -1.013 1.00 54.23 H new ATOM 0 HA VAL A 29 5.190 -27.483 -1.767 1.00 31.14 H new ATOM 0 HB VAL A 29 4.696 -29.301 0.615 1.00 21.50 H new ATOM 0 HG11 VAL A 29 3.245 -27.539 1.536 1.00 32.45 H new ATOM 0 HG12 VAL A 29 4.947 -27.023 1.466 1.00 32.45 H new ATOM 0 HG13 VAL A 29 3.786 -26.428 0.255 1.00 32.45 H new ATOM 0 HG21 VAL A 29 2.354 -29.134 -0.129 1.00 5.11 H new ATOM 0 HG22 VAL A 29 2.860 -28.089 -1.477 1.00 5.11 H new ATOM 0 HG23 VAL A 29 3.408 -29.781 -1.408 1.00 5.11 H new ATOM 470 N TYR A 30 6.683 -26.085 -0.330 1.00 54.15 N ATOM 471 CA TYR A 30 7.675 -25.271 0.364 1.00 42.42 C ATOM 472 C TYR A 30 7.003 -24.285 1.316 1.00 53.31 C ATOM 473 O TYR A 30 5.794 -24.058 1.242 1.00 71.04 O ATOM 474 CB TYR A 30 8.540 -24.513 -0.645 1.00 40.44 C ATOM 475 CG TYR A 30 9.966 -25.009 -0.712 1.00 1.42 C ATOM 476 CD1 TYR A 30 10.712 -25.199 0.444 1.00 63.54 C ATOM 477 CD2 TYR A 30 10.568 -25.289 -1.933 1.00 23.33 C ATOM 478 CE1 TYR A 30 12.017 -25.653 0.387 1.00 50.54 C ATOM 479 CE2 TYR A 30 11.870 -25.744 -2.001 1.00 42.43 C ATOM 480 CZ TYR A 30 12.591 -25.923 -0.837 1.00 32.12 C ATOM 481 OH TYR A 30 13.890 -26.375 -0.899 1.00 33.15 O ATOM 0 H TYR A 30 6.040 -25.556 -0.919 1.00 54.15 H new ATOM 0 HA TYR A 30 8.309 -25.938 0.949 1.00 42.42 H new ATOM 0 HB2 TYR A 30 8.088 -24.597 -1.633 1.00 40.44 H new ATOM 0 HB3 TYR A 30 8.544 -23.455 -0.385 1.00 40.44 H new ATOM 0 HD1 TYR A 30 10.265 -24.988 1.404 1.00 63.54 H new ATOM 0 HD2 TYR A 30 10.007 -25.148 -2.845 1.00 23.33 H new ATOM 0 HE1 TYR A 30 12.583 -25.795 1.296 1.00 50.54 H new ATOM 0 HE2 TYR A 30 12.321 -25.958 -2.958 1.00 42.43 H new ATOM 0 HH TYR A 30 14.121 -26.579 -1.829 1.00 33.15 H new ATOM 491 N LYS A 31 7.794 -23.702 2.209 1.00 21.53 N ATOM 492 CA LYS A 31 7.279 -22.740 3.175 1.00 33.30 C ATOM 493 C LYS A 31 8.245 -21.572 3.348 1.00 72.40 C ATOM 494 O LYS A 31 9.456 -21.766 3.456 1.00 42.23 O ATOM 495 CB LYS A 31 7.038 -23.420 4.525 1.00 30.01 C ATOM 496 CG LYS A 31 6.968 -22.449 5.692 1.00 12.24 C ATOM 497 CD LYS A 31 5.928 -22.877 6.712 1.00 72.33 C ATOM 498 CE LYS A 31 4.525 -22.851 6.124 1.00 1.42 C ATOM 499 NZ LYS A 31 4.236 -21.561 5.438 1.00 74.42 N1+ ATOM 0 H LYS A 31 8.796 -23.879 2.284 1.00 21.53 H new ATOM 0 HA LYS A 31 6.333 -22.354 2.796 1.00 33.30 H new ATOM 0 HB2 LYS A 31 6.107 -23.985 4.477 1.00 30.01 H new ATOM 0 HB3 LYS A 31 7.837 -24.138 4.708 1.00 30.01 H new ATOM 0 HG2 LYS A 31 7.945 -22.385 6.172 1.00 12.24 H new ATOM 0 HG3 LYS A 31 6.728 -21.452 5.323 1.00 12.24 H new ATOM 0 HD2 LYS A 31 6.156 -23.882 7.066 1.00 72.33 H new ATOM 0 HD3 LYS A 31 5.973 -22.216 7.578 1.00 72.33 H new ATOM 0 HE2 LYS A 31 4.412 -23.672 5.416 1.00 1.42 H new ATOM 0 HE3 LYS A 31 3.795 -23.012 6.918 1.00 1.42 H new ATOM 0 HZ1 LYS A 31 3.254 -21.562 5.095 1.00 74.42 H new ATOM 0 HZ2 LYS A 31 4.368 -20.775 6.106 1.00 74.42 H new ATOM 0 HZ3 LYS A 31 4.884 -21.443 4.633 1.00 74.42 H new ATOM 513 N PHE A 32 7.701 -20.360 3.373 1.00 21.34 N ATOM 514 CA PHE A 32 8.515 -19.160 3.533 1.00 31.43 C ATOM 515 C PHE A 32 7.976 -18.283 4.659 1.00 73.13 C ATOM 516 O PHE A 32 6.794 -17.938 4.679 1.00 30.25 O ATOM 517 CB PHE A 32 8.552 -18.366 2.225 1.00 2.44 C ATOM 518 CG PHE A 32 9.882 -18.421 1.529 1.00 52.35 C ATOM 519 CD1 PHE A 32 11.056 -18.185 2.228 1.00 34.32 C ATOM 520 CD2 PHE A 32 9.959 -18.708 0.176 1.00 25.20 C ATOM 521 CE1 PHE A 32 12.280 -18.233 1.589 1.00 31.04 C ATOM 522 CE2 PHE A 32 11.181 -18.759 -0.468 1.00 15.23 C ATOM 523 CZ PHE A 32 12.344 -18.523 0.240 1.00 34.24 C ATOM 0 H PHE A 32 6.700 -20.182 3.285 1.00 21.34 H new ATOM 0 HA PHE A 32 9.528 -19.469 3.791 1.00 31.43 H new ATOM 0 HB2 PHE A 32 7.783 -18.750 1.554 1.00 2.44 H new ATOM 0 HB3 PHE A 32 8.302 -17.326 2.433 1.00 2.44 H new ATOM 0 HD1 PHE A 32 11.013 -17.961 3.284 1.00 34.32 H new ATOM 0 HD2 PHE A 32 9.053 -18.894 -0.382 1.00 25.20 H new ATOM 0 HE1 PHE A 32 13.187 -18.044 2.144 1.00 31.04 H new ATOM 0 HE2 PHE A 32 11.227 -18.983 -1.524 1.00 15.23 H new ATOM 0 HZ PHE A 32 13.300 -18.565 -0.260 1.00 34.24 H new ATOM 533 N ARG A 33 8.851 -17.925 5.594 1.00 2.52 N ATOM 534 CA ARG A 33 8.463 -17.091 6.723 1.00 14.43 C ATOM 535 C ARG A 33 9.010 -15.675 6.566 1.00 75.14 C ATOM 536 O ARG A 33 10.148 -15.482 6.138 1.00 61.42 O ATOM 537 CB ARG A 33 8.967 -17.700 8.032 1.00 2.14 C ATOM 538 CG ARG A 33 7.854 -18.181 8.949 1.00 20.25 C ATOM 539 CD ARG A 33 8.407 -18.932 10.151 1.00 10.22 C ATOM 540 NE ARG A 33 7.348 -19.555 10.940 1.00 11.44 N ATOM 541 CZ ARG A 33 7.567 -20.212 12.074 1.00 10.32 C ATOM 542 NH1 ARG A 33 8.800 -20.331 12.547 1.00 23.32 N1+ ATOM 543 NH2 ARG A 33 6.552 -20.752 12.736 1.00 25.32 N ATOM 0 H ARG A 33 9.833 -18.200 5.591 1.00 2.52 H new ATOM 0 HA ARG A 33 7.374 -17.042 6.748 1.00 14.43 H new ATOM 0 HB2 ARG A 33 9.625 -18.538 7.803 1.00 2.14 H new ATOM 0 HB3 ARG A 33 9.567 -16.959 8.560 1.00 2.14 H new ATOM 0 HG2 ARG A 33 7.268 -17.328 9.290 1.00 20.25 H new ATOM 0 HG3 ARG A 33 7.178 -18.830 8.393 1.00 20.25 H new ATOM 0 HD2 ARG A 33 9.104 -19.698 9.811 1.00 10.22 H new ATOM 0 HD3 ARG A 33 8.971 -18.244 10.780 1.00 10.22 H new ATOM 0 HE ARG A 33 6.388 -19.482 10.602 1.00 11.44 H new ATOM 0 HH11 ARG A 33 9.583 -19.918 12.040 1.00 23.32 H new ATOM 0 HH12 ARG A 33 8.966 -20.836 13.418 1.00 23.32 H new ATOM 0 HH21 ARG A 33 5.602 -20.663 12.375 1.00 25.32 H new ATOM 0 HH22 ARG A 33 6.721 -21.256 13.606 1.00 25.32 H new ATOM 557 N ILE A 34 8.191 -14.688 6.914 1.00 62.22 N ATOM 558 CA ILE A 34 8.593 -13.290 6.812 1.00 24.14 C ATOM 559 C ILE A 34 8.521 -12.597 8.168 1.00 22.22 C ATOM 560 O ILE A 34 7.512 -12.679 8.868 1.00 15.22 O ATOM 561 CB ILE A 34 7.711 -12.522 5.808 1.00 45.40 C ATOM 562 CG1 ILE A 34 7.740 -13.210 4.442 1.00 40.21 C ATOM 563 CG2 ILE A 34 8.176 -11.079 5.691 1.00 73.20 C ATOM 564 CD1 ILE A 34 9.136 -13.520 3.950 1.00 0.34 C ATOM 0 H ILE A 34 7.245 -14.830 7.269 1.00 62.22 H new ATOM 0 HA ILE A 34 9.624 -13.283 6.457 1.00 24.14 H new ATOM 0 HB ILE A 34 6.684 -12.523 6.173 1.00 45.40 H new ATOM 0 HG12 ILE A 34 7.170 -14.137 4.499 1.00 40.21 H new ATOM 0 HG13 ILE A 34 7.240 -12.573 3.713 1.00 40.21 H new ATOM 0 HG21 ILE A 34 7.544 -10.550 4.978 1.00 73.20 H new ATOM 0 HG22 ILE A 34 8.109 -10.595 6.665 1.00 73.20 H new ATOM 0 HG23 ILE A 34 9.209 -11.057 5.345 1.00 73.20 H new ATOM 0 HD11 ILE A 34 9.079 -14.007 2.976 1.00 0.34 H new ATOM 0 HD12 ILE A 34 9.704 -12.594 3.860 1.00 0.34 H new ATOM 0 HD13 ILE A 34 9.633 -14.183 4.659 1.00 0.34 H new ATOM 576 N THR A 35 9.600 -11.911 8.534 1.00 73.35 N ATOM 577 CA THR A 35 9.661 -11.203 9.806 1.00 10.14 C ATOM 578 C THR A 35 9.958 -9.722 9.596 1.00 21.43 C ATOM 579 O THR A 35 10.797 -9.359 8.772 1.00 61.13 O ATOM 580 CB THR A 35 10.733 -11.804 10.734 1.00 42.42 C ATOM 581 OG1 THR A 35 11.920 -12.096 9.987 1.00 61.24 O ATOM 582 CG2 THR A 35 10.223 -13.073 11.400 1.00 21.42 C ATOM 0 H THR A 35 10.444 -11.831 7.966 1.00 73.35 H new ATOM 0 HA THR A 35 8.684 -11.312 10.276 1.00 10.14 H new ATOM 0 HB THR A 35 10.962 -11.072 11.509 1.00 42.42 H new ATOM 0 HG1 THR A 35 12.383 -12.858 10.393 1.00 61.24 H new ATOM 0 HG21 THR A 35 10.998 -13.479 12.050 1.00 21.42 H new ATOM 0 HG22 THR A 35 9.337 -12.843 11.991 1.00 21.42 H new ATOM 0 HG23 THR A 35 9.969 -13.808 10.636 1.00 21.42 H new ATOM 590 N GLN A 36 9.267 -8.873 10.349 1.00 63.41 N ATOM 591 CA GLN A 36 9.458 -7.431 10.244 1.00 14.20 C ATOM 592 C GLN A 36 9.134 -6.742 11.566 1.00 45.14 C ATOM 593 O GLN A 36 7.970 -6.605 11.938 1.00 5.11 O ATOM 594 CB GLN A 36 8.583 -6.858 9.129 1.00 55.11 C ATOM 595 CG GLN A 36 8.706 -7.607 7.813 1.00 62.44 C ATOM 596 CD GLN A 36 8.044 -6.877 6.660 1.00 40.34 C ATOM 597 OE1 GLN A 36 7.242 -7.453 5.925 1.00 43.51 O ATOM 598 NE2 GLN A 36 8.377 -5.602 6.498 1.00 20.34 N ATOM 0 H GLN A 36 8.571 -9.158 11.038 1.00 63.41 H new ATOM 0 HA GLN A 36 10.505 -7.245 10.005 1.00 14.20 H new ATOM 0 HB2 GLN A 36 7.542 -6.875 9.451 1.00 55.11 H new ATOM 0 HB3 GLN A 36 8.850 -5.813 8.969 1.00 55.11 H new ATOM 0 HG2 GLN A 36 9.761 -7.759 7.584 1.00 62.44 H new ATOM 0 HG3 GLN A 36 8.257 -8.595 7.918 1.00 62.44 H new ATOM 0 HE21 GLN A 36 9.047 -5.165 7.132 1.00 20.34 H new ATOM 0 HE22 GLN A 36 7.963 -5.059 5.740 1.00 20.34 H new ATOM 607 N GLY A 37 10.174 -6.310 12.273 1.00 64.45 N ATOM 608 CA GLY A 37 9.980 -5.641 13.547 1.00 34.24 C ATOM 609 C GLY A 37 10.397 -6.499 14.723 1.00 24.32 C ATOM 610 O GLY A 37 10.091 -6.184 15.871 1.00 10.20 O ATOM 0 H GLY A 37 11.148 -6.411 11.986 1.00 64.45 H new ATOM 0 HA2 GLY A 37 10.552 -4.713 13.557 1.00 34.24 H new ATOM 0 HA3 GLY A 37 8.930 -5.369 13.654 1.00 34.24 H new ATOM 614 N GLY A 38 11.100 -7.592 14.436 1.00 74.12 N ATOM 615 CA GLY A 38 11.548 -8.483 15.490 1.00 13.31 C ATOM 616 C GLY A 38 10.672 -9.713 15.621 1.00 0.22 C ATOM 617 O GLY A 38 11.036 -10.677 16.295 1.00 3.34 O ATOM 0 H GLY A 38 11.367 -7.875 13.493 1.00 74.12 H new ATOM 0 HA2 GLY A 38 12.574 -8.791 15.289 1.00 13.31 H new ATOM 0 HA3 GLY A 38 11.557 -7.944 16.438 1.00 13.31 H new ATOM 621 N LYS A 39 9.510 -9.681 14.976 1.00 34.44 N ATOM 622 CA LYS A 39 8.577 -10.801 15.023 1.00 44.41 C ATOM 623 C LYS A 39 7.995 -11.082 13.641 1.00 41.22 C ATOM 624 O LYS A 39 7.979 -10.209 12.774 1.00 21.13 O ATOM 625 CB LYS A 39 7.449 -10.510 16.015 1.00 12.35 C ATOM 626 CG LYS A 39 7.275 -11.588 17.072 1.00 61.01 C ATOM 627 CD LYS A 39 5.846 -11.639 17.586 1.00 62.52 C ATOM 628 CE LYS A 39 5.394 -13.070 17.834 1.00 2.21 C ATOM 629 NZ LYS A 39 5.533 -13.454 19.266 1.00 31.32 N1+ ATOM 0 H LYS A 39 9.192 -8.891 14.414 1.00 34.44 H new ATOM 0 HA LYS A 39 9.124 -11.684 15.354 1.00 44.41 H new ATOM 0 HB2 LYS A 39 7.647 -9.558 16.508 1.00 12.35 H new ATOM 0 HB3 LYS A 39 6.514 -10.397 15.466 1.00 12.35 H new ATOM 0 HG2 LYS A 39 7.547 -12.557 16.653 1.00 61.01 H new ATOM 0 HG3 LYS A 39 7.955 -11.398 17.902 1.00 61.01 H new ATOM 0 HD2 LYS A 39 5.770 -11.067 18.511 1.00 62.52 H new ATOM 0 HD3 LYS A 39 5.181 -11.166 16.863 1.00 62.52 H new ATOM 0 HE2 LYS A 39 4.354 -13.181 17.527 1.00 2.21 H new ATOM 0 HE3 LYS A 39 5.982 -13.749 17.217 1.00 2.21 H new ATOM 0 HZ1 LYS A 39 5.215 -14.436 19.395 1.00 31.32 H new ATOM 0 HZ2 LYS A 39 6.530 -13.373 19.552 1.00 31.32 H new ATOM 0 HZ3 LYS A 39 4.952 -12.822 19.853 1.00 31.32 H new ATOM 643 N VAL A 40 7.516 -12.307 13.444 1.00 13.33 N ATOM 644 CA VAL A 40 6.930 -12.701 12.169 1.00 41.44 C ATOM 645 C VAL A 40 5.776 -11.781 11.786 1.00 63.31 C ATOM 646 O VAL A 40 4.823 -11.614 12.547 1.00 63.13 O ATOM 647 CB VAL A 40 6.422 -14.154 12.211 1.00 45.24 C ATOM 648 CG1 VAL A 40 5.443 -14.345 13.360 1.00 55.31 C ATOM 649 CG2 VAL A 40 5.780 -14.532 10.885 1.00 51.40 C ATOM 0 H VAL A 40 7.523 -13.042 14.151 1.00 13.33 H new ATOM 0 HA VAL A 40 7.718 -12.621 11.420 1.00 41.44 H new ATOM 0 HB VAL A 40 7.274 -14.813 12.378 1.00 45.24 H new ATOM 0 HG11 VAL A 40 5.095 -15.378 13.374 1.00 55.31 H new ATOM 0 HG12 VAL A 40 5.940 -14.117 14.303 1.00 55.31 H new ATOM 0 HG13 VAL A 40 4.592 -13.677 13.228 1.00 55.31 H new ATOM 0 HG21 VAL A 40 5.427 -15.562 10.932 1.00 51.40 H new ATOM 0 HG22 VAL A 40 4.938 -13.868 10.686 1.00 51.40 H new ATOM 0 HG23 VAL A 40 6.514 -14.437 10.085 1.00 51.40 H new ATOM 659 N VAL A 41 5.868 -11.188 10.600 1.00 34.35 N ATOM 660 CA VAL A 41 4.830 -10.286 10.114 1.00 44.34 C ATOM 661 C VAL A 41 3.738 -11.051 9.376 1.00 12.15 C ATOM 662 O VAL A 41 2.565 -10.679 9.419 1.00 4.11 O ATOM 663 CB VAL A 41 5.414 -9.213 9.176 1.00 3.41 C ATOM 664 CG1 VAL A 41 5.957 -9.851 7.907 1.00 40.14 C ATOM 665 CG2 VAL A 41 4.361 -8.164 8.848 1.00 22.42 C ATOM 0 H VAL A 41 6.650 -11.316 9.958 1.00 34.35 H new ATOM 0 HA VAL A 41 4.399 -9.798 10.989 1.00 44.34 H new ATOM 0 HB VAL A 41 6.240 -8.719 9.687 1.00 3.41 H new ATOM 0 HG11 VAL A 41 6.365 -9.077 7.257 1.00 40.14 H new ATOM 0 HG12 VAL A 41 6.743 -10.561 8.164 1.00 40.14 H new ATOM 0 HG13 VAL A 41 5.152 -10.373 7.389 1.00 40.14 H new ATOM 0 HG21 VAL A 41 4.790 -7.413 8.184 1.00 22.42 H new ATOM 0 HG22 VAL A 41 3.513 -8.641 8.357 1.00 22.42 H new ATOM 0 HG23 VAL A 41 4.025 -7.686 9.768 1.00 22.42 H new ATOM 675 N LYS A 42 4.130 -12.126 8.699 1.00 42.43 N ATOM 676 CA LYS A 42 3.185 -12.947 7.951 1.00 33.55 C ATOM 677 C LYS A 42 3.875 -14.176 7.369 1.00 43.41 C ATOM 678 O LYS A 42 5.044 -14.122 6.988 1.00 1.03 O ATOM 679 CB LYS A 42 2.545 -12.128 6.828 1.00 52.12 C ATOM 680 CG LYS A 42 1.039 -11.979 6.966 1.00 64.32 C ATOM 681 CD LYS A 42 0.646 -10.542 7.262 1.00 52.31 C ATOM 682 CE LYS A 42 -0.269 -10.451 8.474 1.00 23.22 C ATOM 683 NZ LYS A 42 -1.441 -9.568 8.219 1.00 13.02 N1+ ATOM 0 H LYS A 42 5.097 -12.449 8.653 1.00 42.43 H new ATOM 0 HA LYS A 42 2.407 -13.280 8.638 1.00 33.55 H new ATOM 0 HB2 LYS A 42 2.999 -11.137 6.808 1.00 52.12 H new ATOM 0 HB3 LYS A 42 2.769 -12.601 5.872 1.00 52.12 H new ATOM 0 HG2 LYS A 42 0.554 -12.308 6.047 1.00 64.32 H new ATOM 0 HG3 LYS A 42 0.680 -12.627 7.765 1.00 64.32 H new ATOM 0 HD2 LYS A 42 1.543 -9.947 7.437 1.00 52.31 H new ATOM 0 HD3 LYS A 42 0.144 -10.115 6.394 1.00 52.31 H new ATOM 0 HE2 LYS A 42 -0.617 -11.449 8.742 1.00 23.22 H new ATOM 0 HE3 LYS A 42 0.294 -10.070 9.326 1.00 23.22 H new ATOM 0 HZ1 LYS A 42 -2.040 -9.532 9.068 1.00 13.02 H new ATOM 0 HZ2 LYS A 42 -1.110 -8.610 7.988 1.00 13.02 H new ATOM 0 HZ3 LYS A 42 -1.993 -9.945 7.422 1.00 13.02 H new ATOM 697 N ASN A 43 3.143 -15.284 7.301 1.00 34.54 N ATOM 698 CA ASN A 43 3.685 -16.526 6.763 1.00 55.25 C ATOM 699 C ASN A 43 3.518 -16.582 5.249 1.00 40.53 C ATOM 700 O ASN A 43 2.712 -15.849 4.675 1.00 31.40 O ATOM 701 CB ASN A 43 2.994 -17.729 7.409 1.00 53.41 C ATOM 702 CG ASN A 43 2.375 -17.389 8.751 1.00 44.33 C ATOM 703 OD1 ASN A 43 2.974 -17.623 9.800 1.00 24.42 O ATOM 704 ND2 ASN A 43 1.169 -16.833 8.722 1.00 72.11 N ATOM 0 H ASN A 43 2.173 -15.347 7.612 1.00 34.54 H new ATOM 0 HA ASN A 43 4.750 -16.559 6.994 1.00 55.25 H new ATOM 0 HB2 ASN A 43 2.220 -18.102 6.739 1.00 53.41 H new ATOM 0 HB3 ASN A 43 3.718 -18.533 7.539 1.00 53.41 H new ATOM 0 HD21 ASN A 43 0.702 -16.582 9.593 1.00 72.11 H new ATOM 0 HD22 ASN A 43 0.710 -16.657 7.828 1.00 72.11 H new ATOM 711 N TRP A 44 4.285 -17.456 4.606 1.00 22.12 N ATOM 712 CA TRP A 44 4.221 -17.608 3.157 1.00 23.21 C ATOM 713 C TRP A 44 4.402 -19.068 2.755 1.00 15.33 C ATOM 714 O TRP A 44 5.082 -19.831 3.440 1.00 44.21 O ATOM 715 CB TRP A 44 5.290 -16.745 2.486 1.00 45.14 C ATOM 716 CG TRP A 44 4.732 -15.536 1.799 1.00 71.55 C ATOM 717 CD1 TRP A 44 4.344 -15.441 0.493 1.00 73.33 C ATOM 718 CD2 TRP A 44 4.501 -14.249 2.383 1.00 22.02 C ATOM 719 NE1 TRP A 44 3.886 -14.173 0.229 1.00 52.22 N ATOM 720 CE2 TRP A 44 3.971 -13.422 1.373 1.00 25.04 C ATOM 721 CE3 TRP A 44 4.689 -13.715 3.660 1.00 55.22 C ATOM 722 CZ2 TRP A 44 3.630 -12.092 1.602 1.00 62.41 C ATOM 723 CZ3 TRP A 44 4.350 -12.394 3.887 1.00 62.30 C ATOM 724 CH2 TRP A 44 3.825 -11.595 2.863 1.00 1.02 C ATOM 0 H TRP A 44 4.958 -18.070 5.065 1.00 22.12 H new ATOM 0 HA TRP A 44 3.237 -17.278 2.824 1.00 23.21 H new ATOM 0 HB2 TRP A 44 6.013 -16.426 3.237 1.00 45.14 H new ATOM 0 HB3 TRP A 44 5.831 -17.350 1.759 1.00 45.14 H new ATOM 0 HD1 TRP A 44 4.390 -16.245 -0.227 1.00 73.33 H new ATOM 0 HE1 TRP A 44 3.539 -13.844 -0.672 1.00 52.22 H new ATOM 0 HE3 TRP A 44 5.092 -14.323 4.456 1.00 55.22 H new ATOM 0 HZ2 TRP A 44 3.226 -11.474 0.813 1.00 62.41 H new ATOM 0 HZ3 TRP A 44 4.492 -11.971 4.870 1.00 62.30 H new ATOM 0 HH2 TRP A 44 3.569 -10.567 3.072 1.00 1.02 H new ATOM 735 N VAL A 45 3.790 -19.450 1.639 1.00 5.25 N ATOM 736 CA VAL A 45 3.885 -20.818 1.144 1.00 60.54 C ATOM 737 C VAL A 45 4.173 -20.843 -0.353 1.00 5.42 C ATOM 738 O VAL A 45 3.671 -20.009 -1.105 1.00 33.13 O ATOM 739 CB VAL A 45 2.590 -21.606 1.420 1.00 52.33 C ATOM 740 CG1 VAL A 45 1.370 -20.771 1.063 1.00 0.31 C ATOM 741 CG2 VAL A 45 2.592 -22.918 0.651 1.00 33.43 C ATOM 0 H VAL A 45 3.223 -18.831 1.060 1.00 5.25 H new ATOM 0 HA VAL A 45 4.710 -21.291 1.677 1.00 60.54 H new ATOM 0 HB VAL A 45 2.544 -21.835 2.485 1.00 52.33 H new ATOM 0 HG11 VAL A 45 0.465 -21.344 1.265 1.00 0.31 H new ATOM 0 HG12 VAL A 45 1.364 -19.861 1.662 1.00 0.31 H new ATOM 0 HG13 VAL A 45 1.405 -20.509 0.006 1.00 0.31 H new ATOM 0 HG21 VAL A 45 1.670 -23.462 0.857 1.00 33.43 H new ATOM 0 HG22 VAL A 45 2.661 -22.713 -0.417 1.00 33.43 H new ATOM 0 HG23 VAL A 45 3.446 -23.520 0.961 1.00 33.43 H new ATOM 751 N MET A 46 4.983 -21.807 -0.778 1.00 62.23 N ATOM 752 CA MET A 46 5.337 -21.941 -2.186 1.00 35.14 C ATOM 753 C MET A 46 4.488 -23.015 -2.860 1.00 72.04 C ATOM 754 O MET A 46 4.676 -24.208 -2.620 1.00 51.41 O ATOM 755 CB MET A 46 6.821 -22.282 -2.332 1.00 33.01 C ATOM 756 CG MET A 46 7.519 -21.499 -3.432 1.00 43.13 C ATOM 757 SD MET A 46 8.536 -20.156 -2.790 1.00 65.24 S ATOM 758 CE MET A 46 10.162 -20.904 -2.846 1.00 25.52 C ATOM 0 H MET A 46 5.406 -22.506 -0.168 1.00 62.23 H new ATOM 0 HA MET A 46 5.142 -20.987 -2.676 1.00 35.14 H new ATOM 0 HB2 MET A 46 7.325 -22.089 -1.385 1.00 33.01 H new ATOM 0 HB3 MET A 46 6.922 -23.348 -2.536 1.00 33.01 H new ATOM 0 HG2 MET A 46 8.144 -22.176 -4.014 1.00 43.13 H new ATOM 0 HG3 MET A 46 6.772 -21.090 -4.112 1.00 43.13 H new ATOM 0 HE1 MET A 46 10.882 -20.182 -3.231 1.00 25.52 H new ATOM 0 HE2 MET A 46 10.457 -21.210 -1.842 1.00 25.52 H new ATOM 0 HE3 MET A 46 10.139 -21.777 -3.499 1.00 25.52 H new ATOM 768 N ASP A 47 3.555 -22.584 -3.701 1.00 71.12 N ATOM 769 CA ASP A 47 2.678 -23.509 -4.410 1.00 32.40 C ATOM 770 C ASP A 47 3.351 -24.036 -5.674 1.00 53.15 C ATOM 771 O ASP A 47 3.171 -23.485 -6.761 1.00 2.25 O ATOM 772 CB ASP A 47 1.359 -22.823 -4.767 1.00 13.44 C ATOM 773 CG ASP A 47 0.184 -23.781 -4.749 1.00 55.42 C ATOM 774 OD1 ASP A 47 0.111 -24.646 -5.645 1.00 11.32 O1- ATOM 775 OD2 ASP A 47 -0.663 -23.665 -3.838 1.00 72.40 O ATOM 0 H ASP A 47 3.386 -21.600 -3.909 1.00 71.12 H new ATOM 0 HA ASP A 47 2.472 -24.353 -3.751 1.00 32.40 H new ATOM 0 HB2 ASP A 47 1.173 -22.011 -4.063 1.00 13.44 H new ATOM 0 HB3 ASP A 47 1.443 -22.374 -5.757 1.00 13.44 H new ATOM 780 N LEU A 48 4.127 -25.104 -5.524 1.00 3.45 N ATOM 781 CA LEU A 48 4.827 -25.704 -6.653 1.00 34.13 C ATOM 782 C LEU A 48 3.859 -26.460 -7.557 1.00 74.54 C ATOM 783 O LEU A 48 4.229 -26.922 -8.636 1.00 65.54 O ATOM 784 CB LEU A 48 5.921 -26.651 -6.155 1.00 41.41 C ATOM 785 CG LEU A 48 7.214 -25.990 -5.676 1.00 71.10 C ATOM 786 CD1 LEU A 48 7.089 -25.565 -4.221 1.00 72.14 C ATOM 787 CD2 LEU A 48 8.394 -26.933 -5.858 1.00 24.33 C ATOM 0 H LEU A 48 4.287 -25.572 -4.632 1.00 3.45 H new ATOM 0 HA LEU A 48 5.284 -24.901 -7.232 1.00 34.13 H new ATOM 0 HB2 LEU A 48 5.515 -27.244 -5.336 1.00 41.41 H new ATOM 0 HB3 LEU A 48 6.167 -27.344 -6.959 1.00 41.41 H new ATOM 0 HG LEU A 48 7.389 -25.100 -6.280 1.00 71.10 H new ATOM 0 HD11 LEU A 48 8.019 -25.097 -3.898 1.00 72.14 H new ATOM 0 HD12 LEU A 48 6.270 -24.854 -4.119 1.00 72.14 H new ATOM 0 HD13 LEU A 48 6.889 -26.440 -3.602 1.00 72.14 H new ATOM 0 HD21 LEU A 48 9.306 -26.446 -5.512 1.00 24.33 H new ATOM 0 HD22 LEU A 48 8.226 -27.842 -5.280 1.00 24.33 H new ATOM 0 HD23 LEU A 48 8.497 -27.188 -6.913 1.00 24.33 H new ATOM 799 N LYS A 49 2.612 -26.580 -7.110 1.00 53.41 N ATOM 800 CA LYS A 49 1.587 -27.275 -7.879 1.00 44.45 C ATOM 801 C LYS A 49 0.957 -26.345 -8.910 1.00 13.33 C ATOM 802 O LYS A 49 0.928 -26.653 -10.102 1.00 1.23 O ATOM 803 CB LYS A 49 0.507 -27.825 -6.945 1.00 43.22 C ATOM 804 CG LYS A 49 0.611 -29.323 -6.712 1.00 30.32 C ATOM 805 CD LYS A 49 -0.591 -29.852 -5.946 1.00 53.45 C ATOM 806 CE LYS A 49 -0.215 -31.037 -5.070 1.00 64.21 C ATOM 807 NZ LYS A 49 -1.210 -32.140 -5.172 1.00 62.40 N1+ ATOM 0 H LYS A 49 2.288 -26.204 -6.219 1.00 53.41 H new ATOM 0 HA LYS A 49 2.061 -28.104 -8.405 1.00 44.45 H new ATOM 0 HB2 LYS A 49 0.571 -27.311 -5.986 1.00 43.22 H new ATOM 0 HB3 LYS A 49 -0.474 -27.598 -7.363 1.00 43.22 H new ATOM 0 HG2 LYS A 49 0.688 -29.837 -7.670 1.00 30.32 H new ATOM 0 HG3 LYS A 49 1.523 -29.544 -6.158 1.00 30.32 H new ATOM 0 HD2 LYS A 49 -1.008 -29.058 -5.327 1.00 53.45 H new ATOM 0 HD3 LYS A 49 -1.369 -30.150 -6.649 1.00 53.45 H new ATOM 0 HE2 LYS A 49 0.768 -31.407 -5.362 1.00 64.21 H new ATOM 0 HE3 LYS A 49 -0.138 -30.712 -4.032 1.00 64.21 H new ATOM 0 HZ1 LYS A 49 -0.918 -32.929 -4.560 1.00 62.40 H new ATOM 0 HZ2 LYS A 49 -2.143 -31.795 -4.870 1.00 62.40 H new ATOM 0 HZ3 LYS A 49 -1.265 -32.468 -6.157 1.00 62.40 H new ATOM 821 N ASN A 50 0.453 -25.207 -8.445 1.00 2.35 N ATOM 822 CA ASN A 50 -0.176 -24.231 -9.329 1.00 41.40 C ATOM 823 C ASN A 50 0.866 -23.304 -9.947 1.00 40.41 C ATOM 824 O ASN A 50 0.562 -22.521 -10.846 1.00 2.41 O ATOM 825 CB ASN A 50 -1.213 -23.410 -8.560 1.00 14.33 C ATOM 826 CG ASN A 50 -2.604 -23.537 -9.153 1.00 4.31 C ATOM 827 OD1 ASN A 50 -2.955 -24.567 -9.728 1.00 4.24 O ATOM 828 ND2 ASN A 50 -3.402 -22.485 -9.015 1.00 4.23 N ATOM 0 H ASN A 50 0.467 -24.937 -7.461 1.00 2.35 H new ATOM 0 HA ASN A 50 -0.674 -24.774 -10.132 1.00 41.40 H new ATOM 0 HB2 ASN A 50 -1.233 -23.736 -7.520 1.00 14.33 H new ATOM 0 HB3 ASN A 50 -0.915 -22.361 -8.560 1.00 14.33 H new ATOM 0 HD21 ASN A 50 -4.349 -22.510 -9.393 1.00 4.23 H new ATOM 0 HD22 ASN A 50 -3.068 -21.652 -8.530 1.00 4.23 H new ATOM 835 N VAL A 51 2.099 -23.399 -9.457 1.00 64.11 N ATOM 836 CA VAL A 51 3.187 -22.571 -9.961 1.00 54.52 C ATOM 837 C VAL A 51 2.967 -21.102 -9.616 1.00 42.10 C ATOM 838 O VAL A 51 3.175 -20.219 -10.447 1.00 10.33 O ATOM 839 CB VAL A 51 3.338 -22.710 -11.488 1.00 71.44 C ATOM 840 CG1 VAL A 51 4.666 -22.129 -11.949 1.00 71.12 C ATOM 841 CG2 VAL A 51 3.211 -24.167 -11.904 1.00 50.43 C ATOM 0 H VAL A 51 2.368 -24.041 -8.712 1.00 64.11 H new ATOM 0 HA VAL A 51 4.099 -22.922 -9.479 1.00 54.52 H new ATOM 0 HB VAL A 51 2.537 -22.147 -11.968 1.00 71.44 H new ATOM 0 HG11 VAL A 51 4.754 -22.236 -13.030 1.00 71.12 H new ATOM 0 HG12 VAL A 51 4.712 -21.073 -11.684 1.00 71.12 H new ATOM 0 HG13 VAL A 51 5.484 -22.661 -11.463 1.00 71.12 H new ATOM 0 HG21 VAL A 51 3.320 -24.247 -12.986 1.00 50.43 H new ATOM 0 HG22 VAL A 51 3.989 -24.754 -11.416 1.00 50.43 H new ATOM 0 HG23 VAL A 51 2.232 -24.546 -11.609 1.00 50.43 H new ATOM 851 N LYS A 52 2.542 -20.848 -8.383 1.00 54.43 N ATOM 852 CA LYS A 52 2.293 -19.486 -7.924 1.00 32.42 C ATOM 853 C LYS A 52 2.545 -19.363 -6.425 1.00 50.21 C ATOM 854 O LYS A 52 2.115 -20.210 -5.640 1.00 11.15 O ATOM 855 CB LYS A 52 0.856 -19.072 -8.246 1.00 21.22 C ATOM 856 CG LYS A 52 0.707 -17.596 -8.572 1.00 10.13 C ATOM 857 CD LYS A 52 1.311 -17.261 -9.926 1.00 32.21 C ATOM 858 CE LYS A 52 1.217 -15.771 -10.224 1.00 73.31 C ATOM 859 NZ LYS A 52 -0.191 -15.338 -10.446 1.00 35.03 N1+ ATOM 0 H LYS A 52 2.363 -21.568 -7.683 1.00 54.43 H new ATOM 0 HA LYS A 52 2.981 -18.822 -8.446 1.00 32.42 H new ATOM 0 HB2 LYS A 52 0.498 -19.660 -9.091 1.00 21.22 H new ATOM 0 HB3 LYS A 52 0.218 -19.314 -7.396 1.00 21.22 H new ATOM 0 HG2 LYS A 52 -0.349 -17.326 -8.567 1.00 10.13 H new ATOM 0 HG3 LYS A 52 1.192 -17.001 -7.799 1.00 10.13 H new ATOM 0 HD2 LYS A 52 2.355 -17.572 -9.947 1.00 32.21 H new ATOM 0 HD3 LYS A 52 0.795 -17.822 -10.705 1.00 32.21 H new ATOM 0 HE2 LYS A 52 1.644 -15.207 -9.395 1.00 73.31 H new ATOM 0 HE3 LYS A 52 1.812 -15.539 -11.107 1.00 73.31 H new ATOM 0 HZ1 LYS A 52 -0.205 -14.342 -10.745 1.00 35.03 H new ATOM 0 HZ2 LYS A 52 -0.623 -15.928 -11.186 1.00 35.03 H new ATOM 0 HZ3 LYS A 52 -0.729 -15.441 -9.562 1.00 35.03 H new ATOM 873 N LEU A 53 3.243 -18.303 -6.031 1.00 61.23 N ATOM 874 CA LEU A 53 3.550 -18.067 -4.625 1.00 12.34 C ATOM 875 C LEU A 53 2.397 -17.354 -3.928 1.00 64.35 C ATOM 876 O LEU A 53 1.809 -16.421 -4.474 1.00 64.45 O ATOM 877 CB LEU A 53 4.830 -17.240 -4.494 1.00 22.14 C ATOM 878 CG LEU A 53 6.111 -18.027 -4.212 1.00 22.44 C ATOM 879 CD1 LEU A 53 6.486 -18.884 -5.410 1.00 71.22 C ATOM 880 CD2 LEU A 53 7.248 -17.081 -3.852 1.00 42.33 C ATOM 0 H LEU A 53 3.607 -17.593 -6.666 1.00 61.23 H new ATOM 0 HA LEU A 53 3.699 -19.034 -4.144 1.00 12.34 H new ATOM 0 HB2 LEU A 53 4.970 -16.675 -5.416 1.00 22.14 H new ATOM 0 HB3 LEU A 53 4.690 -16.514 -3.693 1.00 22.14 H new ATOM 0 HG LEU A 53 5.931 -18.687 -3.363 1.00 22.44 H new ATOM 0 HD11 LEU A 53 7.400 -19.436 -5.191 1.00 71.22 H new ATOM 0 HD12 LEU A 53 5.680 -19.586 -5.622 1.00 71.22 H new ATOM 0 HD13 LEU A 53 6.648 -18.245 -6.278 1.00 71.22 H new ATOM 0 HD21 LEU A 53 8.152 -17.657 -3.654 1.00 42.33 H new ATOM 0 HD22 LEU A 53 7.428 -16.396 -4.681 1.00 42.33 H new ATOM 0 HD23 LEU A 53 6.979 -16.511 -2.963 1.00 42.33 H new ATOM 892 N VAL A 54 2.078 -17.798 -2.715 1.00 5.45 N ATOM 893 CA VAL A 54 0.997 -17.200 -1.942 1.00 41.23 C ATOM 894 C VAL A 54 1.399 -17.025 -0.481 1.00 45.12 C ATOM 895 O VAL A 54 2.402 -17.579 -0.033 1.00 72.40 O ATOM 896 CB VAL A 54 -0.281 -18.055 -2.010 1.00 72.04 C ATOM 897 CG1 VAL A 54 -0.541 -18.515 -3.437 1.00 71.10 C ATOM 898 CG2 VAL A 54 -0.177 -19.247 -1.070 1.00 11.01 C ATOM 0 H VAL A 54 2.554 -18.570 -2.248 1.00 5.45 H new ATOM 0 HA VAL A 54 0.796 -16.223 -2.382 1.00 41.23 H new ATOM 0 HB VAL A 54 -1.123 -17.441 -1.691 1.00 72.04 H new ATOM 0 HG11 VAL A 54 -1.449 -19.118 -3.465 1.00 71.10 H new ATOM 0 HG12 VAL A 54 -0.663 -17.646 -4.083 1.00 71.10 H new ATOM 0 HG13 VAL A 54 0.302 -19.111 -3.786 1.00 71.10 H new ATOM 0 HG21 VAL A 54 -1.090 -19.840 -1.132 1.00 11.01 H new ATOM 0 HG22 VAL A 54 0.676 -19.863 -1.356 1.00 11.01 H new ATOM 0 HG23 VAL A 54 -0.042 -18.894 -0.048 1.00 11.01 H new ATOM 908 N GLU A 55 0.609 -16.249 0.255 1.00 21.23 N ATOM 909 CA GLU A 55 0.884 -16.000 1.665 1.00 34.21 C ATOM 910 C GLU A 55 -0.030 -16.838 2.554 1.00 31.12 C ATOM 911 O GLU A 55 -1.225 -16.565 2.666 1.00 24.40 O ATOM 912 CB GLU A 55 0.706 -14.515 1.988 1.00 60.31 C ATOM 913 CG GLU A 55 -0.650 -13.962 1.582 1.00 21.34 C ATOM 914 CD GLU A 55 -1.458 -13.470 2.767 1.00 40.15 C ATOM 915 OE1 GLU A 55 -0.864 -12.841 3.668 1.00 15.53 O ATOM 916 OE2 GLU A 55 -2.682 -13.713 2.795 1.00 73.52 O1- ATOM 0 H GLU A 55 -0.225 -15.783 -0.101 1.00 21.23 H new ATOM 0 HA GLU A 55 1.917 -16.286 1.863 1.00 34.21 H new ATOM 0 HB2 GLU A 55 0.844 -14.366 3.059 1.00 60.31 H new ATOM 0 HB3 GLU A 55 1.487 -13.946 1.484 1.00 60.31 H new ATOM 0 HG2 GLU A 55 -0.508 -13.142 0.878 1.00 21.34 H new ATOM 0 HG3 GLU A 55 -1.212 -14.736 1.060 1.00 21.34 H new ATOM 923 N SER A 56 0.541 -17.859 3.184 1.00 73.41 N ATOM 924 CA SER A 56 -0.223 -18.741 4.060 1.00 43.24 C ATOM 925 C SER A 56 0.707 -19.642 4.868 1.00 1.33 C ATOM 926 O SER A 56 1.887 -19.782 4.548 1.00 11.10 O ATOM 927 CB SER A 56 -1.192 -19.594 3.240 1.00 44.34 C ATOM 928 OG SER A 56 -2.516 -19.098 3.336 1.00 12.25 O ATOM 0 H SER A 56 1.530 -18.097 3.105 1.00 73.41 H new ATOM 0 HA SER A 56 -0.792 -18.121 4.752 1.00 43.24 H new ATOM 0 HB2 SER A 56 -0.879 -19.603 2.196 1.00 44.34 H new ATOM 0 HB3 SER A 56 -1.160 -20.625 3.592 1.00 44.34 H new ATOM 0 HG SER A 56 -2.519 -18.135 3.154 1.00 12.25 H new ATOM 934 N ASP A 57 0.165 -20.248 5.920 1.00 31.32 N ATOM 935 CA ASP A 57 0.943 -21.135 6.775 1.00 71.22 C ATOM 936 C ASP A 57 0.366 -22.547 6.762 1.00 51.13 C ATOM 937 O ASP A 57 -0.768 -22.768 7.189 1.00 50.20 O ATOM 938 CB ASP A 57 0.979 -20.598 8.206 1.00 63.23 C ATOM 939 CG ASP A 57 -0.327 -19.944 8.611 1.00 3.54 C ATOM 940 OD1 ASP A 57 -0.607 -18.827 8.127 1.00 34.13 O ATOM 941 OD2 ASP A 57 -1.070 -20.548 9.411 1.00 2.01 O1- ATOM 0 H ASP A 57 -0.810 -20.140 6.200 1.00 31.32 H new ATOM 0 HA ASP A 57 1.960 -21.174 6.385 1.00 71.22 H new ATOM 0 HB2 ASP A 57 1.201 -21.415 8.892 1.00 63.23 H new ATOM 0 HB3 ASP A 57 1.789 -19.874 8.299 1.00 63.23 H new ATOM 946 N ASP A 58 1.151 -23.498 6.270 1.00 42.15 N ATOM 947 CA ASP A 58 0.718 -24.889 6.202 1.00 13.22 C ATOM 948 C ASP A 58 1.898 -25.836 6.392 1.00 50.02 C ATOM 949 O ASP A 58 3.049 -25.461 6.172 1.00 32.03 O ATOM 950 CB ASP A 58 0.035 -25.167 4.862 1.00 32.33 C ATOM 951 CG ASP A 58 -0.562 -23.918 4.246 1.00 34.24 C ATOM 952 OD1 ASP A 58 0.170 -23.197 3.537 1.00 62.33 O ATOM 953 OD2 ASP A 58 -1.764 -23.662 4.472 1.00 21.22 O1- ATOM 0 H ASP A 58 2.091 -23.331 5.912 1.00 42.15 H new ATOM 0 HA ASP A 58 0.005 -25.062 7.008 1.00 13.22 H new ATOM 0 HB2 ASP A 58 0.759 -25.599 4.171 1.00 32.33 H new ATOM 0 HB3 ASP A 58 -0.751 -25.909 5.005 1.00 32.33 H new ATOM 958 N ALA A 59 1.604 -27.065 6.803 1.00 54.42 N ATOM 959 CA ALA A 59 2.641 -28.066 7.022 1.00 64.04 C ATOM 960 C ALA A 59 3.407 -28.354 5.736 1.00 23.53 C ATOM 961 O ALA A 59 3.007 -29.206 4.941 1.00 64.14 O ATOM 962 CB ALA A 59 2.030 -29.347 7.573 1.00 20.01 C ATOM 0 H ALA A 59 0.656 -27.392 6.991 1.00 54.42 H new ATOM 0 HA ALA A 59 3.346 -27.669 7.752 1.00 64.04 H new ATOM 0 HB1 ALA A 59 2.816 -30.086 7.732 1.00 20.01 H new ATOM 0 HB2 ALA A 59 1.534 -29.135 8.520 1.00 20.01 H new ATOM 0 HB3 ALA A 59 1.302 -29.738 6.862 1.00 20.01 H new ATOM 968 N ALA A 60 4.509 -27.639 5.536 1.00 25.42 N ATOM 969 CA ALA A 60 5.331 -27.819 4.345 1.00 52.24 C ATOM 970 C ALA A 60 6.481 -28.783 4.614 1.00 52.10 C ATOM 971 O ALA A 60 6.983 -28.868 5.733 1.00 32.51 O ATOM 972 CB ALA A 60 5.865 -26.477 3.866 1.00 60.25 C ATOM 0 H ALA A 60 4.853 -26.930 6.183 1.00 25.42 H new ATOM 0 HA ALA A 60 4.706 -28.249 3.562 1.00 52.24 H new ATOM 0 HB1 ALA A 60 6.477 -26.626 2.976 1.00 60.25 H new ATOM 0 HB2 ALA A 60 5.031 -25.818 3.627 1.00 60.25 H new ATOM 0 HB3 ALA A 60 6.470 -26.025 4.652 1.00 60.25 H new ATOM 978 N GLU A 61 6.892 -29.509 3.578 1.00 12.15 N ATOM 979 CA GLU A 61 7.983 -30.469 3.705 1.00 60.24 C ATOM 980 C GLU A 61 9.288 -29.765 4.064 1.00 60.45 C ATOM 981 O GLU A 61 10.202 -30.375 4.620 1.00 34.32 O ATOM 982 CB GLU A 61 8.155 -31.253 2.402 1.00 40.01 C ATOM 983 CG GLU A 61 7.891 -32.742 2.548 1.00 60.43 C ATOM 984 CD GLU A 61 6.473 -33.123 2.170 1.00 63.55 C ATOM 985 OE1 GLU A 61 5.529 -32.530 2.733 1.00 4.32 O1- ATOM 986 OE2 GLU A 61 6.307 -34.015 1.312 1.00 10.35 O ATOM 0 H GLU A 61 6.487 -29.451 2.644 1.00 12.15 H new ATOM 0 HA GLU A 61 7.732 -31.162 4.508 1.00 60.24 H new ATOM 0 HB2 GLU A 61 7.479 -30.845 1.650 1.00 40.01 H new ATOM 0 HB3 GLU A 61 9.170 -31.107 2.031 1.00 40.01 H new ATOM 0 HG2 GLU A 61 8.591 -33.294 1.921 1.00 60.43 H new ATOM 0 HG3 GLU A 61 8.081 -33.042 3.579 1.00 60.43 H new ATOM 993 N ALA A 62 9.368 -28.479 3.741 1.00 4.02 N ATOM 994 CA ALA A 62 10.560 -27.691 4.031 1.00 60.23 C ATOM 995 C ALA A 62 10.190 -26.286 4.496 1.00 52.32 C ATOM 996 O ALA A 62 9.476 -25.560 3.805 1.00 12.21 O ATOM 997 CB ALA A 62 11.458 -27.624 2.805 1.00 14.02 C ATOM 0 H ALA A 62 8.622 -27.960 3.278 1.00 4.02 H new ATOM 0 HA ALA A 62 11.102 -28.181 4.839 1.00 60.23 H new ATOM 0 HB1 ALA A 62 12.344 -27.033 3.035 1.00 14.02 H new ATOM 0 HB2 ALA A 62 11.758 -28.632 2.519 1.00 14.02 H new ATOM 0 HB3 ALA A 62 10.916 -27.159 1.982 1.00 14.02 H new ATOM 1003 N THR A 63 10.681 -25.909 5.672 1.00 64.23 N ATOM 1004 CA THR A 63 10.401 -24.592 6.231 1.00 11.41 C ATOM 1005 C THR A 63 11.603 -23.667 6.085 1.00 73.24 C ATOM 1006 O THR A 63 12.723 -24.023 6.453 1.00 53.04 O ATOM 1007 CB THR A 63 10.016 -24.685 7.720 1.00 31.34 C ATOM 1008 OG1 THR A 63 8.811 -25.444 7.867 1.00 62.11 O ATOM 1009 CG2 THR A 63 9.823 -23.298 8.315 1.00 45.10 C ATOM 0 H THR A 63 11.275 -26.497 6.256 1.00 64.23 H new ATOM 0 HA THR A 63 9.561 -24.182 5.671 1.00 11.41 H new ATOM 0 HB THR A 63 10.826 -25.183 8.253 1.00 31.34 H new ATOM 0 HG1 THR A 63 8.574 -25.500 8.816 1.00 62.11 H new ATOM 0 HG21 THR A 63 9.552 -23.388 9.367 1.00 45.10 H new ATOM 0 HG22 THR A 63 10.750 -22.732 8.227 1.00 45.10 H new ATOM 0 HG23 THR A 63 9.029 -22.779 7.778 1.00 45.10 H new ATOM 1017 N LEU A 64 11.364 -22.476 5.548 1.00 31.21 N ATOM 1018 CA LEU A 64 12.428 -21.496 5.354 1.00 23.22 C ATOM 1019 C LEU A 64 12.055 -20.155 5.978 1.00 10.31 C ATOM 1020 O LEU A 64 11.138 -19.475 5.514 1.00 34.35 O ATOM 1021 CB LEU A 64 12.715 -21.315 3.862 1.00 42.20 C ATOM 1022 CG LEU A 64 12.846 -22.598 3.042 1.00 33.54 C ATOM 1023 CD1 LEU A 64 11.837 -22.611 1.904 1.00 24.14 C ATOM 1024 CD2 LEU A 64 14.261 -22.746 2.505 1.00 33.52 C ATOM 0 H LEU A 64 10.443 -22.165 5.239 1.00 31.21 H new ATOM 0 HA LEU A 64 13.325 -21.868 5.848 1.00 23.22 H new ATOM 0 HB2 LEU A 64 11.917 -20.712 3.430 1.00 42.20 H new ATOM 0 HB3 LEU A 64 13.638 -20.745 3.757 1.00 42.20 H new ATOM 0 HG LEU A 64 12.636 -23.446 3.695 1.00 33.54 H new ATOM 0 HD11 LEU A 64 11.946 -23.532 1.332 1.00 24.14 H new ATOM 0 HD12 LEU A 64 10.828 -22.554 2.312 1.00 24.14 H new ATOM 0 HD13 LEU A 64 12.013 -21.756 1.252 1.00 24.14 H new ATOM 0 HD21 LEU A 64 14.335 -23.665 1.924 1.00 33.52 H new ATOM 0 HD22 LEU A 64 14.500 -21.894 1.869 1.00 33.52 H new ATOM 0 HD23 LEU A 64 14.964 -22.785 3.337 1.00 33.52 H new ATOM 1036 N THR A 65 12.771 -19.780 7.033 1.00 71.33 N ATOM 1037 CA THR A 65 12.516 -18.521 7.721 1.00 73.12 C ATOM 1038 C THR A 65 13.530 -17.458 7.316 1.00 14.11 C ATOM 1039 O THR A 65 14.736 -17.706 7.313 1.00 44.01 O ATOM 1040 CB THR A 65 12.558 -18.698 9.250 1.00 74.44 C ATOM 1041 OG1 THR A 65 12.007 -19.969 9.612 1.00 70.01 O ATOM 1042 CG2 THR A 65 11.783 -17.588 9.945 1.00 42.34 C ATOM 0 H THR A 65 13.532 -20.331 7.430 1.00 71.33 H new ATOM 0 HA THR A 65 11.517 -18.197 7.427 1.00 73.12 H new ATOM 0 HB THR A 65 13.599 -18.649 9.570 1.00 74.44 H new ATOM 0 HG1 THR A 65 12.733 -20.609 9.764 1.00 70.01 H new ATOM 0 HG21 THR A 65 11.827 -17.734 11.024 1.00 42.34 H new ATOM 0 HG22 THR A 65 12.223 -16.623 9.691 1.00 42.34 H new ATOM 0 HG23 THR A 65 10.743 -17.610 9.618 1.00 42.34 H new ATOM 1050 N MET A 66 13.036 -16.273 6.975 1.00 44.23 N ATOM 1051 CA MET A 66 13.901 -15.171 6.570 1.00 35.33 C ATOM 1052 C MET A 66 13.197 -13.831 6.755 1.00 74.32 C ATOM 1053 O MET A 66 11.969 -13.763 6.779 1.00 1.23 O ATOM 1054 CB MET A 66 14.327 -15.339 5.109 1.00 73.33 C ATOM 1055 CG MET A 66 15.468 -16.325 4.919 1.00 31.14 C ATOM 1056 SD MET A 66 14.911 -17.917 4.281 1.00 74.11 S ATOM 1057 CE MET A 66 16.378 -18.466 3.413 1.00 64.32 C ATOM 0 H MET A 66 12.041 -16.051 6.971 1.00 44.23 H new ATOM 0 HA MET A 66 14.788 -15.186 7.204 1.00 35.33 H new ATOM 0 HB2 MET A 66 13.469 -15.672 4.525 1.00 73.33 H new ATOM 0 HB3 MET A 66 14.626 -14.369 4.712 1.00 73.33 H new ATOM 0 HG2 MET A 66 16.201 -15.899 4.233 1.00 31.14 H new ATOM 0 HG3 MET A 66 15.974 -16.477 5.872 1.00 31.14 H new ATOM 0 HE1 MET A 66 16.377 -19.554 3.350 1.00 64.32 H new ATOM 0 HE2 MET A 66 16.385 -18.044 2.408 1.00 64.32 H new ATOM 0 HE3 MET A 66 17.265 -18.134 3.952 1.00 64.32 H new ATOM 1067 N GLU A 67 13.984 -12.767 6.887 1.00 74.44 N ATOM 1068 CA GLU A 67 13.434 -11.430 7.071 1.00 65.21 C ATOM 1069 C GLU A 67 13.189 -10.752 5.726 1.00 21.25 C ATOM 1070 O GLU A 67 13.722 -11.174 4.700 1.00 71.54 O ATOM 1071 CB GLU A 67 14.381 -10.577 7.919 1.00 61.44 C ATOM 1072 CG GLU A 67 14.580 -11.108 9.329 1.00 20.41 C ATOM 1073 CD GLU A 67 13.987 -10.196 10.385 1.00 50.14 C ATOM 1074 OE1 GLU A 67 13.963 -8.967 10.163 1.00 14.41 O1- ATOM 1075 OE2 GLU A 67 13.547 -10.711 11.434 1.00 70.53 O ATOM 0 H GLU A 67 15.003 -12.806 6.870 1.00 74.44 H new ATOM 0 HA GLU A 67 12.480 -11.526 7.589 1.00 65.21 H new ATOM 0 HB2 GLU A 67 15.349 -10.520 7.421 1.00 61.44 H new ATOM 0 HB3 GLU A 67 13.990 -9.561 7.974 1.00 61.44 H new ATOM 0 HG2 GLU A 67 14.124 -12.095 9.409 1.00 20.41 H new ATOM 0 HG3 GLU A 67 15.646 -11.233 9.519 1.00 20.41 H new ATOM 1082 N ASP A 68 12.378 -9.699 5.741 1.00 21.12 N ATOM 1083 CA ASP A 68 12.061 -8.962 4.522 1.00 71.10 C ATOM 1084 C ASP A 68 13.332 -8.613 3.753 1.00 24.42 C ATOM 1085 O ASP A 68 13.489 -8.990 2.591 1.00 74.24 O ATOM 1086 CB ASP A 68 11.289 -7.686 4.860 1.00 64.02 C ATOM 1087 CG ASP A 68 10.031 -7.533 4.026 1.00 31.40 C ATOM 1088 OD1 ASP A 68 9.285 -8.524 3.891 1.00 75.34 O1- ATOM 1089 OD2 ASP A 68 9.795 -6.421 3.508 1.00 12.13 O ATOM 0 H ASP A 68 11.929 -9.337 6.582 1.00 21.12 H new ATOM 0 HA ASP A 68 11.439 -9.598 3.892 1.00 71.10 H new ATOM 0 HB2 ASP A 68 11.022 -7.695 5.917 1.00 64.02 H new ATOM 0 HB3 ASP A 68 11.934 -6.822 4.702 1.00 64.02 H new ATOM 1094 N ASP A 69 14.235 -7.891 4.407 1.00 45.41 N ATOM 1095 CA ASP A 69 15.491 -7.492 3.784 1.00 14.54 C ATOM 1096 C ASP A 69 16.195 -8.694 3.162 1.00 22.43 C ATOM 1097 O ASP A 69 16.713 -8.613 2.047 1.00 53.21 O ATOM 1098 CB ASP A 69 16.406 -6.826 4.813 1.00 1.15 C ATOM 1099 CG ASP A 69 16.831 -5.432 4.395 1.00 54.42 C ATOM 1100 OD1 ASP A 69 17.217 -5.259 3.220 1.00 30.41 O1- ATOM 1101 OD2 ASP A 69 16.779 -4.516 5.242 1.00 74.02 O ATOM 0 H ASP A 69 14.120 -7.570 5.368 1.00 45.41 H new ATOM 0 HA ASP A 69 15.265 -6.777 2.993 1.00 14.54 H new ATOM 0 HB2 ASP A 69 15.891 -6.773 5.772 1.00 1.15 H new ATOM 0 HB3 ASP A 69 17.292 -7.444 4.960 1.00 1.15 H new ATOM 1106 N ILE A 70 16.212 -9.805 3.889 1.00 1.14 N ATOM 1107 CA ILE A 70 16.852 -11.023 3.407 1.00 43.35 C ATOM 1108 C ILE A 70 16.294 -11.438 2.050 1.00 31.44 C ATOM 1109 O ILE A 70 17.045 -11.755 1.128 1.00 24.31 O ATOM 1110 CB ILE A 70 16.672 -12.185 4.401 1.00 13.31 C ATOM 1111 CG1 ILE A 70 17.601 -12.006 5.603 1.00 2.20 C ATOM 1112 CG2 ILE A 70 16.937 -13.516 3.714 1.00 11.14 C ATOM 1113 CD1 ILE A 70 19.068 -11.987 5.235 1.00 73.31 C ATOM 0 H ILE A 70 15.790 -9.888 4.814 1.00 1.14 H new ATOM 0 HA ILE A 70 17.915 -10.802 3.308 1.00 43.35 H new ATOM 0 HB ILE A 70 15.642 -12.181 4.758 1.00 13.31 H new ATOM 0 HG12 ILE A 70 17.350 -11.075 6.111 1.00 2.20 H new ATOM 0 HG13 ILE A 70 17.423 -12.814 6.313 1.00 2.20 H new ATOM 0 HG21 ILE A 70 16.806 -14.327 4.430 1.00 11.14 H new ATOM 0 HG22 ILE A 70 16.238 -13.644 2.888 1.00 11.14 H new ATOM 0 HG23 ILE A 70 17.958 -13.531 3.332 1.00 11.14 H new ATOM 0 HD11 ILE A 70 19.667 -11.857 6.136 1.00 73.31 H new ATOM 0 HD12 ILE A 70 19.335 -12.928 4.754 1.00 73.31 H new ATOM 0 HD13 ILE A 70 19.260 -11.162 4.549 1.00 73.31 H new ATOM 1125 N MET A 71 14.969 -11.434 1.935 1.00 71.51 N ATOM 1126 CA MET A 71 14.309 -11.807 0.689 1.00 43.30 C ATOM 1127 C MET A 71 14.886 -11.026 -0.487 1.00 65.43 C ATOM 1128 O MET A 71 15.137 -11.587 -1.554 1.00 75.00 O ATOM 1129 CB MET A 71 12.803 -11.560 0.791 1.00 72.31 C ATOM 1130 CG MET A 71 11.997 -12.821 1.056 1.00 1.33 C ATOM 1131 SD MET A 71 12.469 -13.637 2.593 1.00 74.13 S ATOM 1132 CE MET A 71 13.248 -15.121 1.963 1.00 31.24 C ATOM 0 H MET A 71 14.332 -11.177 2.689 1.00 71.51 H new ATOM 0 HA MET A 71 14.485 -12.869 0.518 1.00 43.30 H new ATOM 0 HB2 MET A 71 12.614 -10.843 1.590 1.00 72.31 H new ATOM 0 HB3 MET A 71 12.454 -11.104 -0.135 1.00 72.31 H new ATOM 0 HG2 MET A 71 10.937 -12.569 1.094 1.00 1.33 H new ATOM 0 HG3 MET A 71 12.130 -13.514 0.225 1.00 1.33 H new ATOM 0 HE1 MET A 71 13.131 -15.928 2.686 1.00 31.24 H new ATOM 0 HE2 MET A 71 12.779 -15.407 1.021 1.00 31.24 H new ATOM 0 HE3 MET A 71 14.309 -14.933 1.797 1.00 31.24 H new ATOM 1142 N PHE A 72 15.095 -9.730 -0.285 1.00 41.54 N ATOM 1143 CA PHE A 72 15.642 -8.872 -1.330 1.00 22.30 C ATOM 1144 C PHE A 72 17.110 -9.198 -1.589 1.00 43.01 C ATOM 1145 O PHE A 72 17.602 -9.049 -2.707 1.00 63.32 O ATOM 1146 CB PHE A 72 15.496 -7.400 -0.939 1.00 44.00 C ATOM 1147 CG PHE A 72 16.002 -6.449 -1.985 1.00 52.50 C ATOM 1148 CD1 PHE A 72 15.474 -6.462 -3.267 1.00 2.12 C ATOM 1149 CD2 PHE A 72 17.006 -5.542 -1.688 1.00 61.23 C ATOM 1150 CE1 PHE A 72 15.938 -5.587 -4.231 1.00 51.42 C ATOM 1151 CE2 PHE A 72 17.473 -4.664 -2.649 1.00 44.43 C ATOM 1152 CZ PHE A 72 16.939 -4.688 -3.922 1.00 61.11 C ATOM 0 H PHE A 72 14.894 -9.250 0.592 1.00 41.54 H new ATOM 0 HA PHE A 72 15.081 -9.055 -2.246 1.00 22.30 H new ATOM 0 HB2 PHE A 72 14.445 -7.187 -0.743 1.00 44.00 H new ATOM 0 HB3 PHE A 72 16.035 -7.224 -0.008 1.00 44.00 H new ATOM 0 HD1 PHE A 72 14.691 -7.164 -3.515 1.00 2.12 H new ATOM 0 HD2 PHE A 72 17.429 -5.520 -0.694 1.00 61.23 H new ATOM 0 HE1 PHE A 72 15.518 -5.607 -5.226 1.00 51.42 H new ATOM 0 HE2 PHE A 72 18.255 -3.960 -2.404 1.00 44.43 H new ATOM 0 HZ PHE A 72 17.304 -4.005 -4.675 1.00 61.11 H new ATOM 1162 N ALA A 73 17.804 -9.642 -0.547 1.00 72.11 N ATOM 1163 CA ALA A 73 19.215 -9.990 -0.660 1.00 15.10 C ATOM 1164 C ALA A 73 19.393 -11.331 -1.365 1.00 3.03 C ATOM 1165 O ALA A 73 20.037 -11.412 -2.411 1.00 20.54 O ATOM 1166 CB ALA A 73 19.862 -10.025 0.716 1.00 40.23 C ATOM 0 H ALA A 73 17.412 -9.769 0.386 1.00 72.11 H new ATOM 0 HA ALA A 73 19.707 -9.224 -1.260 1.00 15.10 H new ATOM 0 HB1 ALA A 73 20.916 -10.286 0.616 1.00 40.23 H new ATOM 0 HB2 ALA A 73 19.774 -9.045 1.184 1.00 40.23 H new ATOM 0 HB3 ALA A 73 19.361 -10.769 1.335 1.00 40.23 H new ATOM 1172 N ILE A 74 18.822 -12.381 -0.783 1.00 62.02 N ATOM 1173 CA ILE A 74 18.919 -13.718 -1.356 1.00 2.11 C ATOM 1174 C ILE A 74 18.105 -13.825 -2.640 1.00 5.14 C ATOM 1175 O ILE A 74 18.567 -14.383 -3.636 1.00 43.34 O ATOM 1176 CB ILE A 74 18.436 -14.792 -0.364 1.00 11.55 C ATOM 1177 CG1 ILE A 74 19.266 -14.741 0.920 1.00 44.31 C ATOM 1178 CG2 ILE A 74 18.515 -16.172 -0.998 1.00 21.22 C ATOM 1179 CD1 ILE A 74 18.892 -15.809 1.925 1.00 30.22 C ATOM 0 H ILE A 74 18.288 -12.331 0.084 1.00 62.02 H new ATOM 0 HA ILE A 74 19.972 -13.890 -1.580 1.00 2.11 H new ATOM 0 HB ILE A 74 17.396 -14.590 -0.110 1.00 11.55 H new ATOM 0 HG12 ILE A 74 20.321 -14.846 0.666 1.00 44.31 H new ATOM 0 HG13 ILE A 74 19.146 -13.761 1.382 1.00 44.31 H new ATOM 0 HG21 ILE A 74 18.170 -16.920 -0.285 1.00 21.22 H new ATOM 0 HG22 ILE A 74 17.885 -16.201 -1.887 1.00 21.22 H new ATOM 0 HG23 ILE A 74 19.547 -16.385 -1.278 1.00 21.22 H new ATOM 0 HD11 ILE A 74 19.521 -15.712 2.810 1.00 30.22 H new ATOM 0 HD12 ILE A 74 17.846 -15.691 2.209 1.00 30.22 H new ATOM 0 HD13 ILE A 74 19.039 -16.794 1.481 1.00 30.22 H new ATOM 1191 N GLY A 75 16.890 -13.286 -2.612 1.00 3.13 N ATOM 1192 CA GLY A 75 16.031 -13.330 -3.781 1.00 32.31 C ATOM 1193 C GLY A 75 16.717 -12.802 -5.025 1.00 1.25 C ATOM 1194 O GLY A 75 16.522 -13.326 -6.122 1.00 54.01 O ATOM 0 H GLY A 75 16.485 -12.819 -1.800 1.00 3.13 H new ATOM 0 HA2 GLY A 75 15.711 -14.358 -3.955 1.00 32.31 H new ATOM 0 HA3 GLY A 75 15.132 -12.744 -3.589 1.00 32.31 H new ATOM 1198 N THR A 76 17.523 -11.757 -4.856 1.00 53.52 N ATOM 1199 CA THR A 76 18.237 -11.156 -5.975 1.00 44.22 C ATOM 1200 C THR A 76 19.626 -11.764 -6.131 1.00 51.23 C ATOM 1201 O THR A 76 20.369 -11.413 -7.047 1.00 5.23 O ATOM 1202 CB THR A 76 18.374 -9.631 -5.800 1.00 62.11 C ATOM 1203 OG1 THR A 76 19.240 -9.340 -4.697 1.00 43.24 O ATOM 1204 CG2 THR A 76 17.014 -8.991 -5.566 1.00 74.33 C ATOM 0 H THR A 76 17.697 -11.311 -3.956 1.00 53.52 H new ATOM 0 HA THR A 76 17.651 -11.361 -6.871 1.00 44.22 H new ATOM 0 HB THR A 76 18.801 -9.219 -6.714 1.00 62.11 H new ATOM 0 HG1 THR A 76 18.713 -8.979 -3.954 1.00 43.24 H new ATOM 0 HG21 THR A 76 17.134 -7.914 -5.445 1.00 74.33 H new ATOM 0 HG22 THR A 76 16.366 -9.190 -6.420 1.00 74.33 H new ATOM 0 HG23 THR A 76 16.565 -9.409 -4.665 1.00 74.33 H new ATOM 1212 N GLY A 77 19.972 -12.678 -5.230 1.00 1.41 N ATOM 1213 CA GLY A 77 21.272 -13.321 -5.286 1.00 40.44 C ATOM 1214 C GLY A 77 22.406 -12.363 -4.983 1.00 21.42 C ATOM 1215 O GLY A 77 23.519 -12.529 -5.483 1.00 72.34 O ATOM 0 H GLY A 77 19.375 -12.985 -4.462 1.00 1.41 H new ATOM 0 HA2 GLY A 77 21.297 -14.146 -4.574 1.00 40.44 H new ATOM 0 HA3 GLY A 77 21.419 -13.751 -6.277 1.00 40.44 H new ATOM 1219 N ALA A 78 22.125 -11.355 -4.164 1.00 14.03 N ATOM 1220 CA ALA A 78 23.130 -10.365 -3.796 1.00 4.53 C ATOM 1221 C ALA A 78 24.057 -10.902 -2.711 1.00 51.42 C ATOM 1222 O ALA A 78 25.269 -10.691 -2.754 1.00 12.13 O ATOM 1223 CB ALA A 78 22.461 -9.080 -3.333 1.00 15.31 C ATOM 0 H ALA A 78 21.209 -11.202 -3.742 1.00 14.03 H new ATOM 0 HA ALA A 78 23.732 -10.150 -4.679 1.00 4.53 H new ATOM 0 HB1 ALA A 78 23.224 -8.350 -3.062 1.00 15.31 H new ATOM 0 HB2 ALA A 78 21.846 -8.679 -4.139 1.00 15.31 H new ATOM 0 HB3 ALA A 78 21.833 -9.288 -2.467 1.00 15.31 H new ATOM 1229 N LEU A 79 23.480 -11.597 -1.737 1.00 34.13 N ATOM 1230 CA LEU A 79 24.254 -12.165 -0.639 1.00 54.32 C ATOM 1231 C LEU A 79 24.161 -13.687 -0.636 1.00 62.35 C ATOM 1232 O LEU A 79 23.182 -14.275 -1.097 1.00 75.14 O ATOM 1233 CB LEU A 79 23.762 -11.610 0.699 1.00 45.25 C ATOM 1234 CG LEU A 79 24.222 -10.196 1.049 1.00 22.42 C ATOM 1235 CD1 LEU A 79 23.587 -9.735 2.353 1.00 41.33 C ATOM 1236 CD2 LEU A 79 25.739 -10.136 1.143 1.00 23.31 C ATOM 0 H LEU A 79 22.478 -11.781 -1.685 1.00 34.13 H new ATOM 0 HA LEU A 79 25.298 -11.884 -0.780 1.00 54.32 H new ATOM 0 HB2 LEU A 79 22.672 -11.626 0.697 1.00 45.25 H new ATOM 0 HB3 LEU A 79 24.089 -12.283 1.491 1.00 45.25 H new ATOM 0 HG LEU A 79 23.900 -9.523 0.254 1.00 22.42 H new ATOM 0 HD11 LEU A 79 23.926 -8.726 2.586 1.00 41.33 H new ATOM 0 HD12 LEU A 79 22.502 -9.738 2.250 1.00 41.33 H new ATOM 0 HD13 LEU A 79 23.877 -10.410 3.158 1.00 41.33 H new ATOM 0 HD21 LEU A 79 26.048 -9.121 1.393 1.00 23.31 H new ATOM 0 HD22 LEU A 79 26.083 -10.821 1.918 1.00 23.31 H new ATOM 0 HD23 LEU A 79 26.174 -10.422 0.186 1.00 23.31 H new ATOM 1248 N PRO A 80 25.203 -14.343 -0.103 1.00 14.00 N ATOM 1249 CA PRO A 80 25.261 -15.807 -0.025 1.00 41.14 C ATOM 1250 C PRO A 80 24.264 -16.373 0.979 1.00 21.40 C ATOM 1251 O PRO A 80 24.309 -16.045 2.164 1.00 0.41 O ATOM 1252 CB PRO A 80 26.696 -16.081 0.432 1.00 72.45 C ATOM 1253 CG PRO A 80 27.105 -14.844 1.155 1.00 25.51 C ATOM 1254 CD PRO A 80 26.404 -13.708 0.464 1.00 63.44 C ATOM 0 HA PRO A 80 25.005 -16.277 -0.975 1.00 41.14 H new ATOM 0 HB2 PRO A 80 26.745 -16.954 1.082 1.00 72.45 H new ATOM 0 HB3 PRO A 80 27.351 -16.279 -0.417 1.00 72.45 H new ATOM 0 HG2 PRO A 80 26.822 -14.895 2.206 1.00 25.51 H new ATOM 0 HG3 PRO A 80 28.187 -14.713 1.122 1.00 25.51 H new ATOM 0 HD2 PRO A 80 26.146 -12.911 1.162 1.00 63.44 H new ATOM 0 HD3 PRO A 80 27.028 -13.263 -0.312 1.00 63.44 H new ATOM 1262 N ALA A 81 23.365 -17.226 0.498 1.00 32.45 N ATOM 1263 CA ALA A 81 22.359 -17.840 1.354 1.00 0.14 C ATOM 1264 C ALA A 81 23.009 -18.675 2.452 1.00 23.15 C ATOM 1265 O ALA A 81 22.536 -18.702 3.589 1.00 35.22 O ATOM 1266 CB ALA A 81 21.413 -18.698 0.526 1.00 1.12 C ATOM 0 H ALA A 81 23.314 -17.507 -0.481 1.00 32.45 H new ATOM 0 HA ALA A 81 21.787 -17.043 1.829 1.00 0.14 H new ATOM 0 HB1 ALA A 81 20.667 -19.151 1.179 1.00 1.12 H new ATOM 0 HB2 ALA A 81 20.915 -18.076 -0.218 1.00 1.12 H new ATOM 0 HB3 ALA A 81 21.979 -19.482 0.024 1.00 1.12 H new ATOM 1272 N LYS A 82 24.095 -19.357 2.106 1.00 52.31 N ATOM 1273 CA LYS A 82 24.812 -20.193 3.062 1.00 64.02 C ATOM 1274 C LYS A 82 25.424 -19.346 4.174 1.00 31.13 C ATOM 1275 O LYS A 82 25.149 -19.564 5.354 1.00 60.00 O ATOM 1276 CB LYS A 82 25.908 -20.991 2.352 1.00 15.40 C ATOM 1277 CG LYS A 82 25.527 -22.435 2.076 1.00 55.43 C ATOM 1278 CD LYS A 82 26.430 -23.403 2.820 1.00 25.31 C ATOM 1279 CE LYS A 82 26.288 -24.821 2.288 1.00 43.03 C ATOM 1280 NZ LYS A 82 27.605 -25.504 2.171 1.00 1.31 N1+ ATOM 0 H LYS A 82 24.499 -19.347 1.169 1.00 52.31 H new ATOM 0 HA LYS A 82 24.098 -20.886 3.508 1.00 64.02 H new ATOM 0 HB2 LYS A 82 26.149 -20.501 1.409 1.00 15.40 H new ATOM 0 HB3 LYS A 82 26.812 -20.973 2.961 1.00 15.40 H new ATOM 0 HG2 LYS A 82 24.491 -22.602 2.372 1.00 55.43 H new ATOM 0 HG3 LYS A 82 25.588 -22.630 1.005 1.00 55.43 H new ATOM 0 HD2 LYS A 82 27.467 -23.080 2.726 1.00 25.31 H new ATOM 0 HD3 LYS A 82 26.186 -23.386 3.882 1.00 25.31 H new ATOM 0 HE2 LYS A 82 25.639 -25.394 2.951 1.00 43.03 H new ATOM 0 HE3 LYS A 82 25.804 -24.796 1.312 1.00 43.03 H new ATOM 0 HZ1 LYS A 82 27.465 -26.467 1.805 1.00 1.31 H new ATOM 0 HZ2 LYS A 82 28.216 -24.971 1.519 1.00 1.31 H new ATOM 0 HZ3 LYS A 82 28.056 -25.551 3.107 1.00 1.31 H new ATOM 1294 N GLU A 83 26.252 -18.381 3.788 1.00 54.33 N ATOM 1295 CA GLU A 83 26.901 -17.502 4.755 1.00 72.13 C ATOM 1296 C GLU A 83 25.868 -16.791 5.623 1.00 22.30 C ATOM 1297 O GLU A 83 26.018 -16.706 6.841 1.00 41.13 O ATOM 1298 CB GLU A 83 27.774 -16.472 4.034 1.00 33.31 C ATOM 1299 CG GLU A 83 29.233 -16.507 4.458 1.00 73.20 C ATOM 1300 CD GLU A 83 29.498 -15.681 5.702 1.00 31.14 C ATOM 1301 OE1 GLU A 83 28.521 -15.220 6.326 1.00 4.11 O ATOM 1302 OE2 GLU A 83 30.683 -15.497 6.050 1.00 42.32 O1- ATOM 0 H GLU A 83 26.489 -18.188 2.815 1.00 54.33 H new ATOM 0 HA GLU A 83 27.531 -18.115 5.400 1.00 72.13 H new ATOM 0 HB2 GLU A 83 27.712 -16.645 2.960 1.00 33.31 H new ATOM 0 HB3 GLU A 83 27.374 -15.475 4.220 1.00 33.31 H new ATOM 0 HG2 GLU A 83 29.530 -17.540 4.642 1.00 73.20 H new ATOM 0 HG3 GLU A 83 29.854 -16.138 3.642 1.00 73.20 H new ATOM 1309 N ALA A 84 24.819 -16.280 4.987 1.00 31.35 N ATOM 1310 CA ALA A 84 23.760 -15.578 5.700 1.00 33.22 C ATOM 1311 C ALA A 84 23.257 -16.399 6.883 1.00 0.53 C ATOM 1312 O ALA A 84 23.162 -15.897 8.002 1.00 54.02 O ATOM 1313 CB ALA A 84 22.613 -15.252 4.756 1.00 63.32 C ATOM 0 H ALA A 84 24.680 -16.339 3.978 1.00 31.35 H new ATOM 0 HA ALA A 84 24.173 -14.646 6.087 1.00 33.22 H new ATOM 0 HB1 ALA A 84 21.829 -14.728 5.303 1.00 63.32 H new ATOM 0 HB2 ALA A 84 22.977 -14.619 3.947 1.00 63.32 H new ATOM 0 HB3 ALA A 84 22.210 -16.176 4.341 1.00 63.32 H new ATOM 1319 N MET A 85 22.935 -17.662 6.626 1.00 15.31 N ATOM 1320 CA MET A 85 22.442 -18.552 7.671 1.00 72.33 C ATOM 1321 C MET A 85 23.585 -19.038 8.555 1.00 13.11 C ATOM 1322 O MET A 85 23.381 -19.370 9.722 1.00 65.35 O ATOM 1323 CB MET A 85 21.717 -19.748 7.050 1.00 14.13 C ATOM 1324 CG MET A 85 20.423 -19.376 6.345 1.00 2.33 C ATOM 1325 SD MET A 85 19.945 -20.581 5.091 1.00 30.31 S ATOM 1326 CE MET A 85 19.769 -19.523 3.656 1.00 34.22 C ATOM 0 H MET A 85 23.006 -18.092 5.704 1.00 15.31 H new ATOM 0 HA MET A 85 21.741 -17.992 8.290 1.00 72.33 H new ATOM 0 HB2 MET A 85 22.382 -20.235 6.337 1.00 14.13 H new ATOM 0 HB3 MET A 85 21.499 -20.476 7.832 1.00 14.13 H new ATOM 0 HG2 MET A 85 19.625 -19.288 7.082 1.00 2.33 H new ATOM 0 HG3 MET A 85 20.536 -18.397 5.879 1.00 2.33 H new ATOM 0 HE1 MET A 85 18.802 -19.704 3.187 1.00 34.22 H new ATOM 0 HE2 MET A 85 19.833 -18.479 3.963 1.00 34.22 H new ATOM 0 HE3 MET A 85 20.564 -19.741 2.943 1.00 34.22 H new ATOM 1336 N ALA A 86 24.788 -19.078 7.992 1.00 22.40 N ATOM 1337 CA ALA A 86 25.964 -19.522 8.731 1.00 24.14 C ATOM 1338 C ALA A 86 26.207 -18.644 9.954 1.00 44.20 C ATOM 1339 O ALA A 86 26.695 -19.117 10.980 1.00 35.33 O ATOM 1340 CB ALA A 86 27.187 -19.519 7.826 1.00 41.43 C ATOM 0 H ALA A 86 24.974 -18.808 7.026 1.00 22.40 H new ATOM 0 HA ALA A 86 25.783 -20.540 9.077 1.00 24.14 H new ATOM 0 HB1 ALA A 86 28.058 -19.852 8.390 1.00 41.43 H new ATOM 0 HB2 ALA A 86 27.019 -20.193 6.986 1.00 41.43 H new ATOM 0 HB3 ALA A 86 27.361 -18.510 7.453 1.00 41.43 H new ATOM 1346 N GLN A 87 25.862 -17.365 9.838 1.00 21.33 N ATOM 1347 CA GLN A 87 26.045 -16.423 10.935 1.00 11.30 C ATOM 1348 C GLN A 87 24.842 -16.438 11.873 1.00 13.12 C ATOM 1349 O GLN A 87 24.535 -15.439 12.521 1.00 34.44 O ATOM 1350 CB GLN A 87 26.263 -15.011 10.391 1.00 62.44 C ATOM 1351 CG GLN A 87 27.614 -14.820 9.720 1.00 22.40 C ATOM 1352 CD GLN A 87 27.834 -13.397 9.243 1.00 42.41 C ATOM 1353 OE1 GLN A 87 28.519 -12.611 9.897 1.00 63.45 O ATOM 1354 NE2 GLN A 87 27.252 -13.059 8.099 1.00 23.23 N ATOM 0 H GLN A 87 25.455 -16.958 8.996 1.00 21.33 H new ATOM 0 HA GLN A 87 26.926 -16.729 11.499 1.00 11.30 H new ATOM 0 HB2 GLN A 87 25.475 -14.781 9.674 1.00 62.44 H new ATOM 0 HB3 GLN A 87 26.168 -14.297 11.209 1.00 62.44 H new ATOM 0 HG2 GLN A 87 28.404 -15.091 10.420 1.00 22.40 H new ATOM 0 HG3 GLN A 87 27.693 -15.500 8.872 1.00 22.40 H new ATOM 0 HE21 GLN A 87 26.693 -13.743 7.590 1.00 23.23 H new ATOM 0 HE22 GLN A 87 27.364 -12.115 7.729 1.00 23.23 H new ATOM 1363 N ASP A 88 24.163 -17.579 11.937 1.00 74.43 N ATOM 1364 CA ASP A 88 22.993 -17.725 12.795 1.00 30.11 C ATOM 1365 C ASP A 88 22.057 -16.529 12.647 1.00 61.34 C ATOM 1366 O ASP A 88 21.331 -16.176 13.576 1.00 12.20 O ATOM 1367 CB ASP A 88 23.421 -17.875 14.256 1.00 42.33 C ATOM 1368 CG ASP A 88 23.886 -19.281 14.581 1.00 10.02 C ATOM 1369 OD1 ASP A 88 23.024 -20.140 14.862 1.00 1.01 O1- ATOM 1370 OD2 ASP A 88 25.110 -19.522 14.557 1.00 73.51 O ATOM 0 H ASP A 88 24.403 -18.416 11.405 1.00 74.43 H new ATOM 0 HA ASP A 88 22.457 -18.623 12.487 1.00 30.11 H new ATOM 0 HB2 ASP A 88 24.225 -17.171 14.470 1.00 42.33 H new ATOM 0 HB3 ASP A 88 22.586 -17.612 14.905 1.00 42.33 H new ATOM 1375 N LYS A 89 22.080 -15.910 11.472 1.00 0.12 N ATOM 1376 CA LYS A 89 21.235 -14.753 11.200 1.00 50.20 C ATOM 1377 C LYS A 89 19.893 -15.186 10.614 1.00 23.34 C ATOM 1378 O LYS A 89 19.079 -14.350 10.224 1.00 54.12 O ATOM 1379 CB LYS A 89 21.939 -13.795 10.236 1.00 12.11 C ATOM 1380 CG LYS A 89 22.589 -12.608 10.925 1.00 1.11 C ATOM 1381 CD LYS A 89 23.055 -11.568 9.920 1.00 0.51 C ATOM 1382 CE LYS A 89 24.049 -10.598 10.543 1.00 23.00 C ATOM 1383 NZ LYS A 89 23.989 -9.256 9.901 1.00 64.21 N1+ ATOM 0 H LYS A 89 22.675 -16.190 10.692 1.00 0.12 H new ATOM 0 HA LYS A 89 21.052 -14.239 12.143 1.00 50.20 H new ATOM 0 HB2 LYS A 89 22.700 -14.345 9.682 1.00 12.11 H new ATOM 0 HB3 LYS A 89 21.216 -13.430 9.507 1.00 12.11 H new ATOM 0 HG2 LYS A 89 21.880 -12.154 11.617 1.00 1.11 H new ATOM 0 HG3 LYS A 89 23.438 -12.950 11.517 1.00 1.11 H new ATOM 0 HD2 LYS A 89 23.516 -12.066 9.067 1.00 0.51 H new ATOM 0 HD3 LYS A 89 22.195 -11.016 9.540 1.00 0.51 H new ATOM 0 HE2 LYS A 89 23.842 -10.501 11.609 1.00 23.00 H new ATOM 0 HE3 LYS A 89 25.057 -11.001 10.449 1.00 23.00 H new ATOM 0 HZ1 LYS A 89 24.680 -8.624 10.353 1.00 64.21 H new ATOM 0 HZ2 LYS A 89 24.211 -9.345 8.889 1.00 64.21 H new ATOM 0 HZ3 LYS A 89 23.034 -8.860 10.012 1.00 64.21 H new ATOM 1397 N MET A 90 19.672 -16.495 10.559 1.00 61.54 N ATOM 1398 CA MET A 90 18.428 -17.036 10.024 1.00 34.14 C ATOM 1399 C MET A 90 18.210 -18.469 10.501 1.00 23.11 C ATOM 1400 O MET A 90 19.164 -19.180 10.812 1.00 52.43 O ATOM 1401 CB MET A 90 18.443 -16.992 8.495 1.00 63.10 C ATOM 1402 CG MET A 90 17.982 -15.663 7.921 1.00 53.24 C ATOM 1403 SD MET A 90 19.326 -14.727 7.168 1.00 10.12 S ATOM 1404 CE MET A 90 19.419 -15.502 5.556 1.00 55.23 C ATOM 0 H MET A 90 20.337 -17.200 10.878 1.00 61.54 H new ATOM 0 HA MET A 90 17.606 -16.420 10.389 1.00 34.14 H new ATOM 0 HB2 MET A 90 19.454 -17.199 8.144 1.00 63.10 H new ATOM 0 HB3 MET A 90 17.803 -17.786 8.111 1.00 63.10 H new ATOM 0 HG2 MET A 90 17.208 -15.843 7.175 1.00 53.24 H new ATOM 0 HG3 MET A 90 17.529 -15.067 8.713 1.00 53.24 H new ATOM 0 HE1 MET A 90 19.799 -14.785 4.829 1.00 55.23 H new ATOM 0 HE2 MET A 90 20.089 -16.361 5.603 1.00 55.23 H new ATOM 0 HE3 MET A 90 18.426 -15.833 5.254 1.00 55.23 H new ATOM 1414 N GLU A 91 16.948 -18.883 10.556 1.00 65.45 N ATOM 1415 CA GLU A 91 16.606 -20.231 10.997 1.00 11.40 C ATOM 1416 C GLU A 91 15.810 -20.969 9.923 1.00 34.33 C ATOM 1417 O GLU A 91 14.645 -20.659 9.675 1.00 12.44 O ATOM 1418 CB GLU A 91 15.802 -20.177 12.297 1.00 33.13 C ATOM 1419 CG GLU A 91 16.379 -19.226 13.331 1.00 21.12 C ATOM 1420 CD GLU A 91 15.491 -18.021 13.577 1.00 24.32 C ATOM 1421 OE1 GLU A 91 14.895 -17.516 12.602 1.00 51.55 O ATOM 1422 OE2 GLU A 91 15.392 -17.585 14.742 1.00 0.55 O1- ATOM 0 H GLU A 91 16.147 -18.306 10.301 1.00 65.45 H new ATOM 0 HA GLU A 91 17.534 -20.775 11.175 1.00 11.40 H new ATOM 0 HB2 GLU A 91 14.779 -19.876 12.069 1.00 33.13 H new ATOM 0 HB3 GLU A 91 15.752 -21.178 12.725 1.00 33.13 H new ATOM 0 HG2 GLU A 91 16.526 -19.761 14.269 1.00 21.12 H new ATOM 0 HG3 GLU A 91 17.361 -18.887 13.000 1.00 21.12 H new ATOM 1429 N VAL A 92 16.449 -21.947 9.289 1.00 4.22 N ATOM 1430 CA VAL A 92 15.802 -22.730 8.243 1.00 10.32 C ATOM 1431 C VAL A 92 15.747 -24.206 8.616 1.00 5.13 C ATOM 1432 O VAL A 92 16.698 -24.751 9.180 1.00 24.13 O ATOM 1433 CB VAL A 92 16.534 -22.579 6.896 1.00 74.54 C ATOM 1434 CG1 VAL A 92 18.010 -22.914 7.049 1.00 44.34 C ATOM 1435 CG2 VAL A 92 15.886 -23.458 5.837 1.00 24.44 C ATOM 0 H VAL A 92 17.414 -22.216 9.481 1.00 4.22 H new ATOM 0 HA VAL A 92 14.787 -22.346 8.142 1.00 10.32 H new ATOM 0 HB VAL A 92 16.454 -21.541 6.573 1.00 74.54 H new ATOM 0 HG11 VAL A 92 18.510 -22.802 6.087 1.00 44.34 H new ATOM 0 HG12 VAL A 92 18.463 -22.239 7.775 1.00 44.34 H new ATOM 0 HG13 VAL A 92 18.116 -23.942 7.395 1.00 44.34 H new ATOM 0 HG21 VAL A 92 16.415 -23.339 4.892 1.00 24.44 H new ATOM 0 HG22 VAL A 92 15.933 -24.501 6.151 1.00 24.44 H new ATOM 0 HG23 VAL A 92 14.844 -23.165 5.709 1.00 24.44 H new ATOM 1445 N ASP A 93 14.630 -24.850 8.299 1.00 5.23 N ATOM 1446 CA ASP A 93 14.451 -26.266 8.599 1.00 71.33 C ATOM 1447 C ASP A 93 13.941 -27.021 7.376 1.00 3.43 C ATOM 1448 O ASP A 93 12.825 -26.792 6.913 1.00 70.13 O ATOM 1449 CB ASP A 93 13.477 -26.442 9.766 1.00 63.55 C ATOM 1450 CG ASP A 93 13.729 -25.452 10.885 1.00 64.33 C ATOM 1451 OD1 ASP A 93 14.529 -25.770 11.788 1.00 61.15 O1- ATOM 1452 OD2 ASP A 93 13.124 -24.360 10.858 1.00 3.05 O ATOM 0 H ASP A 93 13.834 -24.414 7.834 1.00 5.23 H new ATOM 0 HA ASP A 93 15.420 -26.678 8.879 1.00 71.33 H new ATOM 0 HB2 ASP A 93 12.456 -26.324 9.404 1.00 63.55 H new ATOM 0 HB3 ASP A 93 13.562 -27.456 10.156 1.00 63.55 H new ATOM 1457 N GLY A 94 14.769 -27.923 6.856 1.00 62.44 N ATOM 1458 CA GLY A 94 14.385 -28.697 5.691 1.00 54.13 C ATOM 1459 C GLY A 94 15.554 -29.442 5.078 1.00 34.44 C ATOM 1460 O GLY A 94 16.709 -29.184 5.417 1.00 31.24 O ATOM 0 H GLY A 94 15.698 -28.131 7.221 1.00 62.44 H new ATOM 0 HA2 GLY A 94 13.611 -29.411 5.972 1.00 54.13 H new ATOM 0 HA3 GLY A 94 13.950 -28.032 4.944 1.00 54.13 H new ATOM 1464 N GLN A 95 15.256 -30.368 4.173 1.00 20.11 N ATOM 1465 CA GLN A 95 16.292 -31.154 3.514 1.00 74.11 C ATOM 1466 C GLN A 95 17.326 -30.247 2.855 1.00 14.41 C ATOM 1467 O GLN A 95 17.003 -29.476 1.952 1.00 70.12 O ATOM 1468 CB GLN A 95 15.671 -32.083 2.469 1.00 43.12 C ATOM 1469 CG GLN A 95 16.038 -33.546 2.659 1.00 5.44 C ATOM 1470 CD GLN A 95 17.513 -33.744 2.947 1.00 62.14 C ATOM 1471 OE1 GLN A 95 18.351 -33.648 2.050 1.00 52.20 O ATOM 1472 NE2 GLN A 95 17.840 -34.022 4.204 1.00 15.42 N ATOM 0 H GLN A 95 14.305 -30.592 3.879 1.00 20.11 H new ATOM 0 HA GLN A 95 16.793 -31.756 4.272 1.00 74.11 H new ATOM 0 HB2 GLN A 95 14.586 -31.982 2.504 1.00 43.12 H new ATOM 0 HB3 GLN A 95 15.989 -31.763 1.477 1.00 43.12 H new ATOM 0 HG2 GLN A 95 15.452 -33.960 3.480 1.00 5.44 H new ATOM 0 HG3 GLN A 95 15.769 -34.104 1.762 1.00 5.44 H new ATOM 0 HE21 GLN A 95 17.113 -34.092 4.916 1.00 15.42 H new ATOM 0 HE22 GLN A 95 18.818 -34.165 4.457 1.00 15.42 H new ATOM 1481 N VAL A 96 18.570 -30.346 3.312 1.00 3.03 N ATOM 1482 CA VAL A 96 19.651 -29.535 2.766 1.00 31.30 C ATOM 1483 C VAL A 96 19.587 -29.484 1.244 1.00 11.34 C ATOM 1484 O VAL A 96 19.620 -28.409 0.648 1.00 40.02 O ATOM 1485 CB VAL A 96 21.029 -30.076 3.193 1.00 72.23 C ATOM 1486 CG1 VAL A 96 22.143 -29.224 2.604 1.00 73.33 C ATOM 1487 CG2 VAL A 96 21.133 -30.131 4.709 1.00 14.52 C ATOM 0 H VAL A 96 18.854 -30.980 4.059 1.00 3.03 H new ATOM 0 HA VAL A 96 19.524 -28.529 3.165 1.00 31.30 H new ATOM 0 HB VAL A 96 21.137 -31.090 2.808 1.00 72.23 H new ATOM 0 HG11 VAL A 96 23.109 -29.621 2.916 1.00 73.33 H new ATOM 0 HG12 VAL A 96 22.078 -29.242 1.516 1.00 73.33 H new ATOM 0 HG13 VAL A 96 22.041 -28.198 2.957 1.00 73.33 H new ATOM 0 HG21 VAL A 96 22.113 -30.515 4.993 1.00 14.52 H new ATOM 0 HG22 VAL A 96 21.003 -29.129 5.119 1.00 14.52 H new ATOM 0 HG23 VAL A 96 20.357 -30.788 5.103 1.00 14.52 H new ATOM 1497 N GLU A 97 19.493 -30.656 0.622 1.00 74.25 N ATOM 1498 CA GLU A 97 19.424 -30.744 -0.831 1.00 11.51 C ATOM 1499 C GLU A 97 18.229 -29.961 -1.369 1.00 42.00 C ATOM 1500 O GLU A 97 18.365 -29.153 -2.288 1.00 42.22 O ATOM 1501 CB GLU A 97 19.328 -32.207 -1.272 1.00 74.24 C ATOM 1502 CG GLU A 97 20.653 -32.792 -1.730 1.00 53.13 C ATOM 1503 CD GLU A 97 20.681 -34.306 -1.647 1.00 42.33 C ATOM 1504 OE1 GLU A 97 20.972 -34.835 -0.554 1.00 51.11 O ATOM 1505 OE2 GLU A 97 20.412 -34.963 -2.676 1.00 41.00 O1- ATOM 0 H GLU A 97 19.463 -31.556 1.102 1.00 74.25 H new ATOM 0 HA GLU A 97 20.336 -30.307 -1.238 1.00 11.51 H new ATOM 0 HB2 GLU A 97 18.944 -32.803 -0.444 1.00 74.24 H new ATOM 0 HB3 GLU A 97 18.605 -32.286 -2.084 1.00 74.24 H new ATOM 0 HG2 GLU A 97 20.846 -32.484 -2.758 1.00 53.13 H new ATOM 0 HG3 GLU A 97 21.457 -32.383 -1.118 1.00 53.13 H new ATOM 1512 N LEU A 98 17.060 -30.205 -0.787 1.00 4.22 N ATOM 1513 CA LEU A 98 15.840 -29.524 -1.206 1.00 45.51 C ATOM 1514 C LEU A 98 16.065 -28.018 -1.309 1.00 62.10 C ATOM 1515 O LEU A 98 15.800 -27.412 -2.347 1.00 75.13 O ATOM 1516 CB LEU A 98 14.706 -29.815 -0.222 1.00 63.45 C ATOM 1517 CG LEU A 98 13.868 -31.061 -0.513 1.00 24.15 C ATOM 1518 CD1 LEU A 98 12.806 -30.757 -1.558 1.00 70.31 C ATOM 1519 CD2 LEU A 98 14.758 -32.207 -0.971 1.00 24.12 C ATOM 0 H LEU A 98 16.931 -30.869 -0.024 1.00 4.22 H new ATOM 0 HA LEU A 98 15.564 -29.900 -2.191 1.00 45.51 H new ATOM 0 HB2 LEU A 98 15.134 -29.914 0.776 1.00 63.45 H new ATOM 0 HB3 LEU A 98 14.041 -28.952 -0.199 1.00 63.45 H new ATOM 0 HG LEU A 98 13.367 -31.362 0.407 1.00 24.15 H new ATOM 0 HD11 LEU A 98 12.219 -31.655 -1.753 1.00 70.31 H new ATOM 0 HD12 LEU A 98 12.150 -29.967 -1.191 1.00 70.31 H new ATOM 0 HD13 LEU A 98 13.286 -30.430 -2.480 1.00 70.31 H new ATOM 0 HD21 LEU A 98 14.145 -33.085 -1.174 1.00 24.12 H new ATOM 0 HD22 LEU A 98 15.287 -31.917 -1.879 1.00 24.12 H new ATOM 0 HD23 LEU A 98 15.481 -32.441 -0.189 1.00 24.12 H new ATOM 1531 N ILE A 99 16.557 -27.424 -0.227 1.00 14.23 N ATOM 1532 CA ILE A 99 16.821 -25.991 -0.198 1.00 35.14 C ATOM 1533 C ILE A 99 18.025 -25.635 -1.065 1.00 52.03 C ATOM 1534 O ILE A 99 18.185 -24.488 -1.483 1.00 51.23 O ATOM 1535 CB ILE A 99 17.072 -25.494 1.238 1.00 70.21 C ATOM 1536 CG1 ILE A 99 18.293 -26.195 1.837 1.00 34.25 C ATOM 1537 CG2 ILE A 99 15.843 -25.729 2.102 1.00 43.42 C ATOM 1538 CD1 ILE A 99 18.893 -25.462 3.017 1.00 52.41 C ATOM 0 H ILE A 99 16.781 -27.912 0.640 1.00 14.23 H new ATOM 0 HA ILE A 99 15.933 -25.499 -0.595 1.00 35.14 H new ATOM 0 HB ILE A 99 17.270 -24.423 1.207 1.00 70.21 H new ATOM 0 HG12 ILE A 99 18.008 -27.199 2.150 1.00 34.25 H new ATOM 0 HG13 ILE A 99 19.053 -26.306 1.064 1.00 34.25 H new ATOM 0 HG21 ILE A 99 16.036 -25.373 3.114 1.00 43.42 H new ATOM 0 HG22 ILE A 99 14.995 -25.188 1.683 1.00 43.42 H new ATOM 0 HG23 ILE A 99 15.616 -26.795 2.130 1.00 43.42 H new ATOM 0 HD11 ILE A 99 19.754 -26.016 3.390 1.00 52.41 H new ATOM 0 HD12 ILE A 99 19.210 -24.467 2.704 1.00 52.41 H new ATOM 0 HD13 ILE A 99 18.148 -25.374 3.808 1.00 52.41 H new ATOM 1550 N PHE A 100 18.867 -26.627 -1.332 1.00 71.24 N ATOM 1551 CA PHE A 100 20.057 -26.420 -2.149 1.00 72.33 C ATOM 1552 C PHE A 100 19.702 -26.414 -3.634 1.00 42.50 C ATOM 1553 O PHE A 100 20.506 -26.009 -4.474 1.00 71.51 O ATOM 1554 CB PHE A 100 21.093 -27.508 -1.866 1.00 70.10 C ATOM 1555 CG PHE A 100 22.343 -27.375 -2.688 1.00 5.21 C ATOM 1556 CD1 PHE A 100 23.290 -26.411 -2.382 1.00 64.21 C ATOM 1557 CD2 PHE A 100 22.572 -28.216 -3.766 1.00 32.30 C ATOM 1558 CE1 PHE A 100 24.440 -26.286 -3.139 1.00 44.14 C ATOM 1559 CE2 PHE A 100 23.721 -28.096 -4.526 1.00 55.43 C ATOM 1560 CZ PHE A 100 24.657 -27.131 -4.210 1.00 4.43 C ATOM 0 H PHE A 100 18.748 -27.582 -0.995 1.00 71.24 H new ATOM 0 HA PHE A 100 20.481 -25.450 -1.890 1.00 72.33 H new ATOM 0 HB2 PHE A 100 21.358 -27.480 -0.809 1.00 70.10 H new ATOM 0 HB3 PHE A 100 20.645 -28.483 -2.056 1.00 70.10 H new ATOM 0 HD1 PHE A 100 23.128 -25.750 -1.543 1.00 64.21 H new ATOM 0 HD2 PHE A 100 21.844 -28.974 -4.015 1.00 32.30 H new ATOM 0 HE1 PHE A 100 25.169 -25.528 -2.893 1.00 44.14 H new ATOM 0 HE2 PHE A 100 23.886 -28.756 -5.365 1.00 55.43 H new ATOM 0 HZ PHE A 100 25.557 -27.037 -4.799 1.00 4.43 H new ATOM 1570 N LEU A 101 18.493 -26.866 -3.948 1.00 25.32 N ATOM 1571 CA LEU A 101 18.030 -26.915 -5.331 1.00 40.32 C ATOM 1572 C LEU A 101 17.651 -25.523 -5.827 1.00 65.23 C ATOM 1573 O LEU A 101 17.812 -25.208 -7.007 1.00 62.41 O ATOM 1574 CB LEU A 101 16.832 -27.856 -5.456 1.00 25.44 C ATOM 1575 CG LEU A 101 17.117 -29.228 -6.071 1.00 23.22 C ATOM 1576 CD1 LEU A 101 17.246 -29.119 -7.582 1.00 4.34 C ATOM 1577 CD2 LEU A 101 18.378 -29.831 -5.468 1.00 22.30 C ATOM 0 H LEU A 101 17.816 -27.204 -3.264 1.00 25.32 H new ATOM 0 HA LEU A 101 18.846 -27.292 -5.948 1.00 40.32 H new ATOM 0 HB2 LEU A 101 16.408 -28.006 -4.463 1.00 25.44 H new ATOM 0 HB3 LEU A 101 16.069 -27.362 -6.057 1.00 25.44 H new ATOM 0 HG LEU A 101 16.279 -29.887 -5.845 1.00 23.22 H new ATOM 0 HD11 LEU A 101 17.449 -30.104 -8.002 1.00 4.34 H new ATOM 0 HD12 LEU A 101 16.317 -28.731 -7.999 1.00 4.34 H new ATOM 0 HD13 LEU A 101 18.065 -28.444 -7.829 1.00 4.34 H new ATOM 0 HD21 LEU A 101 18.565 -30.806 -5.917 1.00 22.30 H new ATOM 0 HD22 LEU A 101 19.225 -29.173 -5.663 1.00 22.30 H new ATOM 0 HD23 LEU A 101 18.248 -29.946 -4.392 1.00 22.30 H new ATOM 1589 N LEU A 102 17.150 -24.693 -4.919 1.00 30.55 N ATOM 1590 CA LEU A 102 16.749 -23.333 -5.264 1.00 44.41 C ATOM 1591 C LEU A 102 17.923 -22.369 -5.130 1.00 35.10 C ATOM 1592 O LEU A 102 17.817 -21.194 -5.477 1.00 24.35 O ATOM 1593 CB LEU A 102 15.596 -22.878 -4.367 1.00 74.32 C ATOM 1594 CG LEU A 102 14.189 -23.069 -4.934 1.00 21.44 C ATOM 1595 CD1 LEU A 102 14.079 -24.406 -5.649 1.00 14.34 C ATOM 1596 CD2 LEU A 102 13.150 -22.966 -3.828 1.00 31.25 C ATOM 0 H LEU A 102 17.012 -24.937 -3.938 1.00 30.55 H new ATOM 0 HA LEU A 102 16.417 -23.330 -6.302 1.00 44.41 H new ATOM 0 HB2 LEU A 102 15.662 -23.418 -3.423 1.00 74.32 H new ATOM 0 HB3 LEU A 102 15.734 -21.821 -4.140 1.00 74.32 H new ATOM 0 HG LEU A 102 13.999 -22.277 -5.658 1.00 21.44 H new ATOM 0 HD11 LEU A 102 13.071 -24.524 -6.046 1.00 14.34 H new ATOM 0 HD12 LEU A 102 14.798 -24.441 -6.468 1.00 14.34 H new ATOM 0 HD13 LEU A 102 14.290 -25.213 -4.947 1.00 14.34 H new ATOM 0 HD21 LEU A 102 12.155 -23.104 -4.250 1.00 31.25 H new ATOM 0 HD22 LEU A 102 13.337 -23.736 -3.080 1.00 31.25 H new ATOM 0 HD23 LEU A 102 13.212 -21.983 -3.360 1.00 31.25 H new ATOM 1608 N GLU A 103 19.044 -22.876 -4.624 1.00 43.15 N ATOM 1609 CA GLU A 103 20.239 -22.060 -4.447 1.00 3.21 C ATOM 1610 C GLU A 103 20.819 -21.642 -5.796 1.00 63.23 C ATOM 1611 O GLU A 103 21.007 -20.459 -6.079 1.00 12.34 O ATOM 1612 CB GLU A 103 21.292 -22.826 -3.642 1.00 45.21 C ATOM 1613 CG GLU A 103 21.216 -22.574 -2.146 1.00 43.34 C ATOM 1614 CD GLU A 103 22.418 -23.122 -1.401 1.00 35.30 C ATOM 1615 OE1 GLU A 103 23.515 -23.164 -1.995 1.00 3.05 O ATOM 1616 OE2 GLU A 103 22.261 -23.508 -0.224 1.00 12.12 O1- ATOM 0 H GLU A 103 19.149 -23.847 -4.330 1.00 43.15 H new ATOM 0 HA GLU A 103 19.956 -21.161 -3.899 1.00 3.21 H new ATOM 0 HB2 GLU A 103 21.174 -23.893 -3.829 1.00 45.21 H new ATOM 0 HB3 GLU A 103 22.284 -22.548 -3.999 1.00 45.21 H new ATOM 0 HG2 GLU A 103 21.139 -21.502 -1.965 1.00 43.34 H new ATOM 0 HG3 GLU A 103 20.309 -23.030 -1.750 1.00 43.34 H new ATOM 1623 N PRO A 104 21.108 -22.637 -6.648 1.00 1.41 N ATOM 1624 CA PRO A 104 21.670 -22.398 -7.981 1.00 73.13 C ATOM 1625 C PRO A 104 20.664 -21.749 -8.926 1.00 4.23 C ATOM 1626 O PRO A 104 21.005 -21.374 -10.049 1.00 22.01 O ATOM 1627 CB PRO A 104 22.033 -23.802 -8.470 1.00 53.34 C ATOM 1628 CG PRO A 104 21.122 -24.712 -7.720 1.00 15.34 C ATOM 1629 CD PRO A 104 20.909 -24.070 -6.377 1.00 52.44 C ATOM 0 HA PRO A 104 22.515 -21.711 -7.950 1.00 73.13 H new ATOM 0 HB2 PRO A 104 21.888 -23.896 -9.546 1.00 53.34 H new ATOM 0 HB3 PRO A 104 23.079 -24.034 -8.267 1.00 53.34 H new ATOM 0 HG2 PRO A 104 20.176 -24.838 -8.247 1.00 15.34 H new ATOM 0 HG3 PRO A 104 21.562 -25.704 -7.613 1.00 15.34 H new ATOM 0 HD2 PRO A 104 19.910 -24.271 -5.990 1.00 52.44 H new ATOM 0 HD3 PRO A 104 21.618 -24.441 -5.637 1.00 52.44 H new ATOM 1637 N PHE A 105 19.425 -21.618 -8.466 1.00 2.15 N ATOM 1638 CA PHE A 105 18.370 -21.015 -9.271 1.00 32.10 C ATOM 1639 C PHE A 105 18.168 -19.550 -8.893 1.00 31.15 C ATOM 1640 O PHE A 105 17.578 -18.779 -9.650 1.00 64.30 O ATOM 1641 CB PHE A 105 17.059 -21.784 -9.091 1.00 54.33 C ATOM 1642 CG PHE A 105 16.968 -23.019 -9.940 1.00 41.41 C ATOM 1643 CD1 PHE A 105 18.115 -23.675 -10.357 1.00 74.43 C ATOM 1644 CD2 PHE A 105 15.736 -23.524 -10.323 1.00 1.41 C ATOM 1645 CE1 PHE A 105 18.035 -24.813 -11.139 1.00 11.53 C ATOM 1646 CE2 PHE A 105 15.650 -24.661 -11.104 1.00 3.32 C ATOM 1647 CZ PHE A 105 16.801 -25.306 -11.513 1.00 12.30 C ATOM 0 H PHE A 105 19.127 -21.922 -7.539 1.00 2.15 H new ATOM 0 HA PHE A 105 18.672 -21.065 -10.317 1.00 32.10 H new ATOM 0 HB2 PHE A 105 16.952 -22.064 -8.043 1.00 54.33 H new ATOM 0 HB3 PHE A 105 16.225 -21.125 -9.331 1.00 54.33 H new ATOM 0 HD1 PHE A 105 19.083 -23.293 -10.068 1.00 74.43 H new ATOM 0 HD2 PHE A 105 14.832 -23.023 -10.008 1.00 1.41 H new ATOM 0 HE1 PHE A 105 18.937 -25.315 -11.457 1.00 11.53 H new ATOM 0 HE2 PHE A 105 14.683 -25.045 -11.394 1.00 3.32 H new ATOM 0 HZ PHE A 105 16.736 -26.194 -12.124 1.00 12.30 H new ATOM 1657 N ILE A 106 18.661 -19.175 -7.718 1.00 24.22 N ATOM 1658 CA ILE A 106 18.537 -17.804 -7.240 1.00 75.54 C ATOM 1659 C ILE A 106 19.061 -16.811 -8.273 1.00 2.34 C ATOM 1660 O ILE A 106 18.621 -15.664 -8.326 1.00 3.54 O ATOM 1661 CB ILE A 106 19.296 -17.598 -5.916 1.00 33.34 C ATOM 1662 CG1 ILE A 106 18.512 -18.209 -4.753 1.00 1.44 C ATOM 1663 CG2 ILE A 106 19.545 -16.116 -5.672 1.00 24.41 C ATOM 1664 CD1 ILE A 106 19.391 -18.710 -3.629 1.00 25.24 C ATOM 0 H ILE A 106 19.150 -19.802 -7.079 1.00 24.22 H new ATOM 0 HA ILE A 106 17.475 -17.624 -7.073 1.00 75.54 H new ATOM 0 HB ILE A 106 20.260 -18.102 -5.986 1.00 33.34 H new ATOM 0 HG12 ILE A 106 17.822 -17.463 -4.359 1.00 1.44 H new ATOM 0 HG13 ILE A 106 17.908 -19.036 -5.127 1.00 1.44 H new ATOM 0 HG21 ILE A 106 20.082 -15.987 -4.732 1.00 24.41 H new ATOM 0 HG22 ILE A 106 20.140 -15.708 -6.489 1.00 24.41 H new ATOM 0 HG23 ILE A 106 18.591 -15.591 -5.620 1.00 24.41 H new ATOM 0 HD11 ILE A 106 18.768 -19.130 -2.839 1.00 25.24 H new ATOM 0 HD12 ILE A 106 20.063 -19.479 -4.008 1.00 25.24 H new ATOM 0 HD13 ILE A 106 19.976 -17.882 -3.228 1.00 25.24 H new ATOM 1676 N ALA A 107 20.004 -17.263 -9.094 1.00 3.35 N ATOM 1677 CA ALA A 107 20.585 -16.416 -10.128 1.00 34.20 C ATOM 1678 C ALA A 107 19.539 -16.017 -11.163 1.00 53.41 C ATOM 1679 O ALA A 107 19.475 -14.860 -11.579 1.00 32.33 O ATOM 1680 CB ALA A 107 21.750 -17.130 -10.801 1.00 64.22 C ATOM 0 H ALA A 107 20.381 -18.210 -9.063 1.00 3.35 H new ATOM 0 HA ALA A 107 20.954 -15.507 -9.654 1.00 34.20 H new ATOM 0 HB1 ALA A 107 22.175 -16.487 -11.571 1.00 64.22 H new ATOM 0 HB2 ALA A 107 22.514 -17.360 -10.058 1.00 64.22 H new ATOM 0 HB3 ALA A 107 21.396 -18.055 -11.256 1.00 64.22 H new ATOM 1686 N SER A 108 18.720 -16.981 -11.574 1.00 21.15 N ATOM 1687 CA SER A 108 17.680 -16.730 -12.563 1.00 44.42 C ATOM 1688 C SER A 108 16.829 -15.528 -12.164 1.00 32.13 C ATOM 1689 O SER A 108 16.225 -14.869 -13.013 1.00 64.31 O ATOM 1690 CB SER A 108 16.792 -17.964 -12.725 1.00 55.01 C ATOM 1691 OG SER A 108 17.414 -19.115 -12.178 1.00 5.42 O ATOM 0 H SER A 108 18.758 -17.943 -11.237 1.00 21.15 H new ATOM 0 HA SER A 108 18.164 -16.511 -13.515 1.00 44.42 H new ATOM 0 HB2 SER A 108 15.835 -17.795 -12.232 1.00 55.01 H new ATOM 0 HB3 SER A 108 16.581 -18.128 -13.782 1.00 55.01 H new ATOM 0 HG SER A 108 16.905 -19.913 -12.431 1.00 5.42 H new ATOM 1697 N LEU A 109 16.786 -15.246 -10.866 1.00 35.14 N ATOM 1698 CA LEU A 109 16.010 -14.123 -10.353 1.00 3.21 C ATOM 1699 C LEU A 109 16.712 -12.799 -10.638 1.00 12.12 C ATOM 1700 O LEU A 109 17.855 -12.777 -11.095 1.00 20.34 O ATOM 1701 CB LEU A 109 15.785 -14.280 -8.848 1.00 34.14 C ATOM 1702 CG LEU A 109 14.350 -14.582 -8.412 1.00 61.52 C ATOM 1703 CD1 LEU A 109 13.706 -15.587 -9.356 1.00 33.34 C ATOM 1704 CD2 LEU A 109 14.325 -15.100 -6.981 1.00 5.32 C ATOM 0 H LEU A 109 17.279 -15.780 -10.150 1.00 35.14 H new ATOM 0 HA LEU A 109 15.046 -14.118 -10.861 1.00 3.21 H new ATOM 0 HB2 LEU A 109 16.430 -15.081 -8.486 1.00 34.14 H new ATOM 0 HB3 LEU A 109 16.108 -13.363 -8.355 1.00 34.14 H new ATOM 0 HG LEU A 109 13.776 -13.656 -8.452 1.00 61.52 H new ATOM 0 HD11 LEU A 109 12.686 -15.790 -9.030 1.00 33.34 H new ATOM 0 HD12 LEU A 109 13.690 -15.179 -10.366 1.00 33.34 H new ATOM 0 HD13 LEU A 109 14.280 -16.513 -9.348 1.00 33.34 H new ATOM 0 HD21 LEU A 109 13.296 -15.309 -6.688 1.00 5.32 H new ATOM 0 HD22 LEU A 109 14.915 -16.014 -6.915 1.00 5.32 H new ATOM 0 HD23 LEU A 109 14.746 -14.348 -6.314 1.00 5.32 H new ATOM 1716 N LYS A 110 16.023 -11.698 -10.362 1.00 61.55 N ATOM 1717 CA LYS A 110 16.581 -10.369 -10.584 1.00 50.13 C ATOM 1718 C LYS A 110 15.695 -9.295 -9.961 1.00 22.31 C ATOM 1719 O LYS A 110 16.213 -8.396 -9.302 1.00 42.22 O ATOM 1720 CB LYS A 110 16.741 -10.106 -12.083 1.00 44.41 C ATOM 1721 CG LYS A 110 15.422 -9.913 -12.812 1.00 44.45 C ATOM 1722 CD LYS A 110 15.628 -9.787 -14.313 1.00 34.11 C ATOM 1723 CE LYS A 110 14.563 -8.906 -14.949 1.00 5.35 C ATOM 1724 NZ LYS A 110 15.136 -7.639 -15.479 1.00 30.41 N1+ ATOM 0 H LYS A 110 15.076 -11.699 -9.984 1.00 61.55 H new ATOM 0 HA LYS A 110 17.560 -10.329 -10.107 1.00 50.13 H new ATOM 0 HB2 LYS A 110 17.357 -9.218 -12.224 1.00 44.41 H new ATOM 0 HB3 LYS A 110 17.277 -10.941 -12.534 1.00 44.41 H new ATOM 0 HG2 LYS A 110 14.763 -10.756 -12.604 1.00 44.45 H new ATOM 0 HG3 LYS A 110 14.925 -9.019 -12.436 1.00 44.45 H new ATOM 0 HD2 LYS A 110 16.615 -9.369 -14.512 1.00 34.11 H new ATOM 0 HD3 LYS A 110 15.603 -10.777 -14.769 1.00 34.11 H new ATOM 0 HE2 LYS A 110 14.076 -9.451 -15.758 1.00 5.35 H new ATOM 0 HE3 LYS A 110 13.794 -8.676 -14.212 1.00 5.35 H new ATOM 0 HZ1 LYS A 110 14.379 -7.067 -15.904 1.00 30.41 H new ATOM 0 HZ2 LYS A 110 15.578 -7.107 -14.703 1.00 30.41 H new ATOM 0 HZ3 LYS A 110 15.852 -7.857 -16.201 1.00 30.41 H new TER 1738 LYS A 110 HETATM 1739 C1 PLM A 200 10.438 -28.416 -9.656 1.00 74.02 C HETATM 1740 O1 PLM A 200 9.241 -28.606 -9.035 1.00 23.33 O HETATM 1741 O2 PLM A 200 10.838 -29.123 -10.575 1.00 34.01 O HETATM 1742 C2 PLM A 200 11.244 -27.221 -9.080 1.00 54.31 C HETATM 1743 C3 PLM A 200 10.662 -25.870 -9.628 1.00 13.24 C HETATM 1744 C4 PLM A 200 10.470 -24.765 -8.565 1.00 51.32 C HETATM 1745 C5 PLM A 200 11.811 -24.225 -8.035 1.00 43.34 C HETATM 1746 C6 PLM A 200 11.633 -22.941 -7.204 1.00 53.20 C HETATM 1747 C7 PLM A 200 12.527 -21.791 -7.707 1.00 14.42 C HETATM 1748 C8 PLM A 200 12.232 -20.464 -6.984 1.00 54.50 C HETATM 1749 C9 PLM A 200 13.520 -19.724 -6.568 1.00 71.14 C HETATM 1750 CA PLM A 200 13.722 -19.607 -5.043 1.00 3.31 C HETATM 1751 CB PLM A 200 15.137 -19.076 -4.743 1.00 12.32 C HETATM 1752 CC PLM A 200 15.006 -18.182 -3.348 1.00 52.33 C HETATM 1753 CD PLM A 200 15.171 -19.076 -2.105 1.00 43.24 C HETATM 1754 CE PLM A 200 16.532 -19.800 -2.084 1.00 12.22 C HETATM 1755 CF PLM A 200 16.700 -20.684 -0.835 1.00 51.53 C HETATM 1756 CG PLM A 200 17.721 -21.806 -1.065 1.00 5.21 C HETATM 0 HG3 PLM A 200 17.388 -22.437 -1.889 1.00 5.21 H new HETATM 0 HG2 PLM A 200 18.690 -21.371 -1.309 1.00 5.21 H new HETATM 0 HG1 PLM A 200 17.811 -22.407 -0.160 1.00 5.21 H new HETATM 0 HF2 PLM A 200 17.020 -20.068 0.006 1.00 51.53 H new HETATM 0 HF1 PLM A 200 15.737 -21.118 -0.565 1.00 51.53 H new HETATM 0 HE2 PLM A 200 16.628 -20.415 -2.978 1.00 12.22 H new HETATM 0 HE1 PLM A 200 17.334 -19.063 -2.116 1.00 12.22 H new HETATM 0 HD2 PLM A 200 15.071 -18.467 -1.206 1.00 43.24 H new HETATM 0 HD1 PLM A 200 14.369 -19.814 -2.081 1.00 43.24 H new HETATM 0 HC2 PLM A 200 15.764 -17.399 -3.341 1.00 52.33 H new HETATM 0 HC1 PLM A 200 14.035 -17.687 -3.318 1.00 52.33 H new HETATM 0 HB2 PLM A 200 15.843 -19.897 -4.615 1.00 12.32 H new HETATM 0 HB1 PLM A 200 15.506 -18.463 -5.566 1.00 12.32 H new HETATM 0 HA2 PLM A 200 12.975 -18.937 -4.618 1.00 3.31 H new HETATM 0 HA1 PLM A 200 13.582 -20.580 -4.573 1.00 3.31 H new HETATM 0 H92 PLM A 200 14.377 -20.242 -6.997 1.00 71.14 H new HETATM 0 H91 PLM A 200 13.505 -18.723 -6.998 1.00 71.14 H new HETATM 0 H82 PLM A 200 11.641 -19.821 -7.636 1.00 54.50 H new HETATM 0 H81 PLM A 200 11.627 -20.662 -6.099 1.00 54.50 H new HETATM 0 H72 PLM A 200 13.574 -22.057 -7.561 1.00 14.42 H new HETATM 0 H71 PLM A 200 12.378 -21.660 -8.779 1.00 14.42 H new HETATM 0 H62 PLM A 200 10.589 -22.629 -7.240 1.00 53.20 H new HETATM 0 H61 PLM A 200 11.867 -23.151 -6.160 1.00 53.20 H new HETATM 0 H52 PLM A 200 12.292 -24.988 -7.423 1.00 43.34 H new HETATM 0 H51 PLM A 200 12.477 -24.023 -8.874 1.00 43.34 H new HETATM 0 H42 PLM A 200 9.896 -23.945 -8.996 1.00 51.32 H new HETATM 0 H41 PLM A 200 9.886 -25.161 -7.734 1.00 51.32 H new HETATM 0 H32 PLM A 200 11.327 -25.494 -10.406 1.00 13.24 H new HETATM 0 H31 PLM A 200 9.700 -26.071 -10.100 1.00 13.24 H new HETATM 0 H22 PLM A 200 11.198 -27.232 -7.991 1.00 54.31 H new HETATM 0 H21 PLM A 200 12.294 -27.313 -9.356 1.00 54.31 H new HETATM 0 H PLM A 200 9.390 -28.767 -8.080 1.00 23.33 H new