USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 681 hydrogens (55 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 65 SER OG : rot 127:sc= 0.108 USER MOD Set 1.2: A 69 GLN : amide:sc= -0.805 K(o=-0.7,f=-1.6) USER MOD Set 2.1: A 26 THR OG1 : rot -120:sc= -0.344 USER MOD Set 2.2: A 29 SER OG : rot 124:sc= 0.743 USER MOD Single : A 1 ALA N :NH3+ -156:sc= 0.885 (180deg=0.111!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -170:sc= -2.85! (180deg=-3.53!) USER MOD Single : A 10 SER OG : rot 74:sc= -0.0197 USER MOD Single : A 14 LYS NZ :NH3+ 172:sc= -3.77! (180deg=-3.97!) USER MOD Single : A 16 LYS NZ :NH3+ -121:sc= -14! (180deg=-15.6!) USER MOD Single : A 32 SER OG : rot -113:sc= 0.258 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -153:sc= -0.272 (180deg=-1.36) USER MOD Single : A 47 ASN : amide:sc= -3.6! C(o=-3.6!,f=-3.9!) USER MOD Single : A 55 ASN : amide:sc= -6.52! C(o=-6.5!,f=-1.1!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.928 K(o=-0.93,f=-3.2!) USER MOD Single : A 66 THR OG1 : rot -116:sc= 0.288! USER MOD Single : A 68 GLN : amide:sc= -5.42! K(o=-5.4!,f=-0.36) USER MOD Single : A 80 LYS NZ :NH3+ 146:sc= -0.47 (180deg=-1.81!) USER MOD Single : A 81 LYS NZ :NH3+ -162:sc= -1.26 (180deg=-2.07!) USER MOD Single : A 101 PNS O33 : rot -129:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -10.344 -3.786 6.641 1.00 1.00 N ATOM 2 CA ALA A 1 -10.345 -3.885 5.155 1.00 1.00 C ATOM 3 C ALA A 1 -10.515 -5.350 4.748 1.00 1.00 C ATOM 4 O ALA A 1 -10.333 -6.253 5.562 1.00 1.00 O ATOM 5 CB ALA A 1 -9.026 -3.335 4.606 1.00 1.00 C ATOM 0 H1 ALA A 1 -10.635 -2.829 6.925 1.00 1.00 H new ATOM 0 H2 ALA A 1 -11.009 -4.481 7.036 1.00 1.00 H new ATOM 0 H3 ALA A 1 -9.388 -3.979 7.001 1.00 1.00 H new ATOM 0 HA ALA A 1 -11.169 -3.301 4.745 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -9.026 -3.407 3.518 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -8.916 -2.291 4.900 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -8.195 -3.914 5.008 1.00 1.00 H new ATOM 13 N LYS A 2 -10.868 -5.572 3.486 1.00 1.00 N ATOM 14 CA LYS A 2 -11.063 -6.925 2.978 1.00 1.00 C ATOM 15 C LYS A 2 -9.719 -7.581 2.696 1.00 1.00 C ATOM 16 O LYS A 2 -8.754 -6.913 2.339 1.00 1.00 O ATOM 17 CB LYS A 2 -11.890 -6.886 1.692 1.00 1.00 C ATOM 18 CG LYS A 2 -13.295 -6.370 2.006 1.00 1.00 C ATOM 19 CD LYS A 2 -14.113 -6.301 0.715 1.00 1.00 C ATOM 20 CE LYS A 2 -15.524 -5.802 1.031 1.00 1.00 C ATOM 21 NZ LYS A 2 -16.317 -5.721 -0.227 1.00 1.00 N ATOM 0 H LYS A 2 -11.024 -4.835 2.798 1.00 1.00 H new ATOM 0 HA LYS A 2 -11.593 -7.506 3.732 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -11.409 -6.240 0.957 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -11.946 -7.882 1.253 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -13.784 -7.028 2.724 1.00 1.00 H new ATOM 0 HG3 LYS A 2 -13.237 -5.383 2.466 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -13.631 -5.633 0.002 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -14.160 -7.285 0.249 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -16.010 -6.476 1.737 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -15.476 -4.823 1.507 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -17.276 -5.382 -0.011 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -15.856 -5.061 -0.886 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -16.373 -6.663 -0.663 1.00 1.00 H new ATOM 35 N LYS A 3 -9.660 -8.894 2.860 1.00 1.00 N ATOM 36 CA LYS A 3 -8.423 -9.625 2.630 1.00 1.00 C ATOM 37 C LYS A 3 -7.950 -9.452 1.193 1.00 1.00 C ATOM 38 O LYS A 3 -6.748 -9.394 0.929 1.00 1.00 O ATOM 39 CB LYS A 3 -8.628 -11.110 2.917 1.00 1.00 C ATOM 40 CG LYS A 3 -8.926 -11.302 4.404 1.00 1.00 C ATOM 41 CD LYS A 3 -8.921 -12.796 4.743 1.00 1.00 C ATOM 42 CE LYS A 3 -10.053 -13.507 3.996 1.00 1.00 C ATOM 43 NZ LYS A 3 -10.327 -14.820 4.649 1.00 1.00 N ATOM 0 H LYS A 3 -10.449 -9.472 3.150 1.00 1.00 H new ATOM 0 HA LYS A 3 -7.665 -9.223 3.302 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -9.451 -11.498 2.317 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -7.737 -11.672 2.638 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -8.181 -10.781 5.004 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -9.895 -10.867 4.650 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -7.962 -13.236 4.470 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -9.041 -12.934 5.818 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -10.952 -12.890 4.002 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -9.777 -13.658 2.952 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -11.096 -15.305 4.144 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -9.469 -15.407 4.621 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -10.608 -14.664 5.638 1.00 1.00 H new ATOM 57 N GLU A 4 -8.896 -9.390 0.266 1.00 1.00 N ATOM 58 CA GLU A 4 -8.553 -9.242 -1.139 1.00 1.00 C ATOM 59 C GLU A 4 -7.766 -7.952 -1.376 1.00 1.00 C ATOM 60 O GLU A 4 -6.749 -7.954 -2.070 1.00 1.00 O ATOM 61 CB GLU A 4 -9.831 -9.227 -1.985 1.00 1.00 C ATOM 62 CG GLU A 4 -10.623 -7.946 -1.703 1.00 1.00 C ATOM 63 CD GLU A 4 -12.047 -8.080 -2.232 1.00 1.00 C ATOM 64 OE1 GLU A 4 -12.315 -9.054 -2.915 1.00 1.00 O ATOM 65 OE2 GLU A 4 -12.849 -7.206 -1.946 1.00 1.00 O ATOM 0 H GLU A 4 -9.896 -9.439 0.460 1.00 1.00 H new ATOM 0 HA GLU A 4 -7.929 -10.087 -1.431 1.00 1.00 H new ATOM 0 HB2 GLU A 4 -9.578 -9.284 -3.044 1.00 1.00 H new ATOM 0 HB3 GLU A 4 -10.441 -10.101 -1.755 1.00 1.00 H new ATOM 0 HG2 GLU A 4 -10.642 -7.750 -0.631 1.00 1.00 H new ATOM 0 HG3 GLU A 4 -10.131 -7.095 -2.173 1.00 1.00 H new ATOM 72 N THR A 5 -8.247 -6.854 -0.804 1.00 1.00 N ATOM 73 CA THR A 5 -7.589 -5.563 -0.968 1.00 1.00 C ATOM 74 C THR A 5 -6.282 -5.520 -0.184 1.00 1.00 C ATOM 75 O THR A 5 -5.280 -4.995 -0.659 1.00 1.00 O ATOM 76 CB THR A 5 -8.515 -4.430 -0.505 1.00 1.00 C ATOM 77 OG1 THR A 5 -9.836 -4.694 -0.960 1.00 1.00 O ATOM 78 CG2 THR A 5 -8.038 -3.111 -1.116 1.00 1.00 C ATOM 0 H THR A 5 -9.086 -6.831 -0.225 1.00 1.00 H new ATOM 0 HA THR A 5 -7.364 -5.428 -2.026 1.00 1.00 H new ATOM 0 HB THR A 5 -8.500 -4.364 0.583 1.00 1.00 H new ATOM 0 HG1 THR A 5 -10.433 -3.975 -0.666 1.00 1.00 H new ATOM 0 HG21 THR A 5 -8.692 -2.302 -0.791 1.00 1.00 H new ATOM 0 HG22 THR A 5 -7.018 -2.907 -0.790 1.00 1.00 H new ATOM 0 HG23 THR A 5 -8.064 -3.183 -2.203 1.00 1.00 H new ATOM 86 N ILE A 6 -6.308 -6.070 1.022 1.00 1.00 N ATOM 87 CA ILE A 6 -5.130 -6.087 1.879 1.00 1.00 C ATOM 88 C ILE A 6 -3.985 -6.856 1.222 1.00 1.00 C ATOM 89 O ILE A 6 -2.837 -6.414 1.253 1.00 1.00 O ATOM 90 CB ILE A 6 -5.484 -6.744 3.221 1.00 1.00 C ATOM 91 CG1 ILE A 6 -6.447 -5.844 4.000 1.00 1.00 C ATOM 92 CG2 ILE A 6 -4.220 -6.957 4.054 1.00 1.00 C ATOM 93 CD1 ILE A 6 -7.042 -6.625 5.182 1.00 1.00 C ATOM 0 H ILE A 6 -7.133 -6.511 1.430 1.00 1.00 H new ATOM 0 HA ILE A 6 -4.806 -5.059 2.040 1.00 1.00 H new ATOM 0 HB ILE A 6 -5.955 -7.707 3.023 1.00 1.00 H new ATOM 0 HG12 ILE A 6 -5.922 -4.960 4.363 1.00 1.00 H new ATOM 0 HG13 ILE A 6 -7.244 -5.494 3.344 1.00 1.00 H new ATOM 0 HG21 ILE A 6 -4.484 -7.423 5.003 1.00 1.00 H new ATOM 0 HG22 ILE A 6 -3.531 -7.604 3.511 1.00 1.00 H new ATOM 0 HG23 ILE A 6 -3.742 -5.996 4.243 1.00 1.00 H new ATOM 0 HD11 ILE A 6 -7.727 -5.982 5.735 1.00 1.00 H new ATOM 0 HD12 ILE A 6 -7.582 -7.495 4.808 1.00 1.00 H new ATOM 0 HD13 ILE A 6 -6.239 -6.953 5.842 1.00 1.00 H new ATOM 105 N ASP A 7 -4.295 -8.004 0.636 1.00 1.00 N ATOM 106 CA ASP A 7 -3.267 -8.813 -0.007 1.00 1.00 C ATOM 107 C ASP A 7 -2.637 -8.053 -1.169 1.00 1.00 C ATOM 108 O ASP A 7 -1.427 -8.103 -1.388 1.00 1.00 O ATOM 109 CB ASP A 7 -3.892 -10.123 -0.512 1.00 1.00 C ATOM 110 CG ASP A 7 -4.534 -9.951 -1.892 1.00 1.00 C ATOM 111 OD1 ASP A 7 -3.804 -9.703 -2.837 1.00 1.00 O ATOM 112 OD2 ASP A 7 -5.736 -10.087 -1.982 1.00 1.00 O ATOM 0 H ASP A 7 -5.237 -8.393 0.592 1.00 1.00 H new ATOM 0 HA ASP A 7 -2.486 -9.038 0.719 1.00 1.00 H new ATOM 0 HB2 ASP A 7 -3.125 -10.896 -0.561 1.00 1.00 H new ATOM 0 HB3 ASP A 7 -4.644 -10.465 0.199 1.00 1.00 H new ATOM 117 N LYS A 8 -3.486 -7.366 -1.907 1.00 1.00 N ATOM 118 CA LYS A 8 -3.049 -6.592 -3.065 1.00 1.00 C ATOM 119 C LYS A 8 -2.084 -5.494 -2.648 1.00 1.00 C ATOM 120 O LYS A 8 -1.052 -5.292 -3.284 1.00 1.00 O ATOM 121 CB LYS A 8 -4.275 -5.954 -3.738 1.00 1.00 C ATOM 122 CG LYS A 8 -5.090 -7.015 -4.499 1.00 1.00 C ATOM 123 CD LYS A 8 -4.534 -7.206 -5.928 1.00 1.00 C ATOM 124 CE LYS A 8 -5.195 -6.206 -6.888 1.00 1.00 C ATOM 125 NZ LYS A 8 -4.560 -6.307 -8.234 1.00 1.00 N ATOM 0 H LYS A 8 -4.489 -7.324 -1.729 1.00 1.00 H new ATOM 0 HA LYS A 8 -2.540 -7.261 -3.759 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -4.902 -5.477 -2.985 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -3.953 -5.173 -4.426 1.00 1.00 H new ATOM 0 HG2 LYS A 8 -5.057 -7.962 -3.960 1.00 1.00 H new ATOM 0 HG3 LYS A 8 -6.136 -6.712 -4.547 1.00 1.00 H new ATOM 0 HD2 LYS A 8 -3.453 -7.063 -5.929 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -4.721 -8.225 -6.266 1.00 1.00 H new ATOM 0 HE2 LYS A 8 -6.263 -6.410 -6.963 1.00 1.00 H new ATOM 0 HE3 LYS A 8 -5.091 -5.192 -6.501 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 -4.887 -5.521 -8.832 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -3.526 -6.260 -8.134 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -4.824 -7.211 -8.676 1.00 1.00 H new ATOM 139 N VAL A 9 -2.420 -4.786 -1.580 1.00 1.00 N ATOM 140 CA VAL A 9 -1.566 -3.709 -1.106 1.00 1.00 C ATOM 141 C VAL A 9 -0.191 -4.253 -0.740 1.00 1.00 C ATOM 142 O VAL A 9 0.834 -3.691 -1.127 1.00 1.00 O ATOM 143 CB VAL A 9 -2.198 -3.047 0.119 1.00 1.00 C ATOM 144 CG1 VAL A 9 -1.247 -1.984 0.668 1.00 1.00 C ATOM 145 CG2 VAL A 9 -3.526 -2.396 -0.282 1.00 1.00 C ATOM 0 H VAL A 9 -3.267 -4.935 -1.032 1.00 1.00 H new ATOM 0 HA VAL A 9 -1.457 -2.971 -1.900 1.00 1.00 H new ATOM 0 HB VAL A 9 -2.382 -3.798 0.887 1.00 1.00 H new ATOM 0 HG11 VAL A 9 -1.696 -1.511 1.541 1.00 1.00 H new ATOM 0 HG12 VAL A 9 -0.304 -2.451 0.953 1.00 1.00 H new ATOM 0 HG13 VAL A 9 -1.062 -1.231 -0.098 1.00 1.00 H new ATOM 0 HG21 VAL A 9 -3.978 -1.924 0.590 1.00 1.00 H new ATOM 0 HG22 VAL A 9 -3.345 -1.643 -1.049 1.00 1.00 H new ATOM 0 HG23 VAL A 9 -4.201 -3.157 -0.673 1.00 1.00 H new ATOM 155 N SER A 10 -0.177 -5.351 0.001 1.00 1.00 N ATOM 156 CA SER A 10 1.076 -5.971 0.411 1.00 1.00 C ATOM 157 C SER A 10 1.862 -6.461 -0.805 1.00 1.00 C ATOM 158 O SER A 10 3.088 -6.396 -0.831 1.00 1.00 O ATOM 159 CB SER A 10 0.797 -7.153 1.350 1.00 1.00 C ATOM 160 OG SER A 10 -0.313 -6.840 2.182 1.00 1.00 O ATOM 0 H SER A 10 -1.015 -5.830 0.330 1.00 1.00 H new ATOM 0 HA SER A 10 1.670 -5.222 0.935 1.00 1.00 H new ATOM 0 HB2 SER A 10 0.589 -8.052 0.770 1.00 1.00 H new ATOM 0 HB3 SER A 10 1.676 -7.363 1.960 1.00 1.00 H new ATOM 0 HG SER A 10 -1.139 -6.886 1.657 1.00 1.00 H new ATOM 166 N ASP A 11 1.141 -6.969 -1.800 1.00 1.00 N ATOM 167 CA ASP A 11 1.765 -7.496 -3.004 1.00 1.00 C ATOM 168 C ASP A 11 2.545 -6.400 -3.729 1.00 1.00 C ATOM 169 O ASP A 11 3.668 -6.618 -4.172 1.00 1.00 O ATOM 170 CB ASP A 11 0.666 -8.049 -3.927 1.00 1.00 C ATOM 171 CG ASP A 11 0.268 -9.468 -3.512 1.00 1.00 C ATOM 172 OD1 ASP A 11 0.894 -10.008 -2.617 1.00 1.00 O ATOM 173 OD2 ASP A 11 -0.668 -9.988 -4.097 1.00 1.00 O ATOM 0 H ASP A 11 0.123 -7.026 -1.794 1.00 1.00 H new ATOM 0 HA ASP A 11 2.462 -8.289 -2.732 1.00 1.00 H new ATOM 0 HB2 ASP A 11 -0.207 -7.397 -3.891 1.00 1.00 H new ATOM 0 HB3 ASP A 11 1.019 -8.053 -4.958 1.00 1.00 H new ATOM 178 N ILE A 12 1.955 -5.219 -3.833 1.00 1.00 N ATOM 179 CA ILE A 12 2.625 -4.117 -4.510 1.00 1.00 C ATOM 180 C ILE A 12 4.028 -3.944 -3.948 1.00 1.00 C ATOM 181 O ILE A 12 4.990 -3.789 -4.697 1.00 1.00 O ATOM 182 CB ILE A 12 1.795 -2.817 -4.323 1.00 1.00 C ATOM 183 CG1 ILE A 12 0.802 -2.630 -5.480 1.00 1.00 C ATOM 184 CG2 ILE A 12 2.699 -1.578 -4.247 1.00 1.00 C ATOM 185 CD1 ILE A 12 -0.306 -3.673 -5.418 1.00 1.00 C ATOM 0 H ILE A 12 1.029 -5.000 -3.465 1.00 1.00 H new ATOM 0 HA ILE A 12 2.705 -4.333 -5.575 1.00 1.00 H new ATOM 0 HB ILE A 12 1.252 -2.922 -3.384 1.00 1.00 H new ATOM 0 HG12 ILE A 12 0.369 -1.631 -5.435 1.00 1.00 H new ATOM 0 HG13 ILE A 12 1.327 -2.708 -6.432 1.00 1.00 H new ATOM 0 HG21 ILE A 12 2.085 -0.687 -4.116 1.00 1.00 H new ATOM 0 HG22 ILE A 12 3.381 -1.676 -3.402 1.00 1.00 H new ATOM 0 HG23 ILE A 12 3.274 -1.490 -5.169 1.00 1.00 H new ATOM 0 HD11 ILE A 12 -0.997 -3.520 -6.247 1.00 1.00 H new ATOM 0 HD12 ILE A 12 0.129 -4.670 -5.487 1.00 1.00 H new ATOM 0 HD13 ILE A 12 -0.844 -3.576 -4.475 1.00 1.00 H new ATOM 197 N VAL A 13 4.141 -3.968 -2.638 1.00 1.00 N ATOM 198 CA VAL A 13 5.437 -3.803 -2.014 1.00 1.00 C ATOM 199 C VAL A 13 6.335 -4.977 -2.372 1.00 1.00 C ATOM 200 O VAL A 13 7.504 -4.802 -2.698 1.00 1.00 O ATOM 201 CB VAL A 13 5.266 -3.728 -0.495 1.00 1.00 C ATOM 202 CG1 VAL A 13 6.632 -3.516 0.165 1.00 1.00 C ATOM 203 CG2 VAL A 13 4.324 -2.574 -0.131 1.00 1.00 C ATOM 0 H VAL A 13 3.363 -4.098 -1.991 1.00 1.00 H new ATOM 0 HA VAL A 13 5.895 -2.882 -2.373 1.00 1.00 H new ATOM 0 HB VAL A 13 4.834 -4.662 -0.135 1.00 1.00 H new ATOM 0 HG11 VAL A 13 6.509 -3.463 1.247 1.00 1.00 H new ATOM 0 HG12 VAL A 13 7.290 -4.348 -0.085 1.00 1.00 H new ATOM 0 HG13 VAL A 13 7.070 -2.586 -0.197 1.00 1.00 H new ATOM 0 HG21 VAL A 13 4.207 -2.527 0.952 1.00 1.00 H new ATOM 0 HG22 VAL A 13 4.743 -1.635 -0.492 1.00 1.00 H new ATOM 0 HG23 VAL A 13 3.351 -2.739 -0.594 1.00 1.00 H new ATOM 213 N LYS A 14 5.791 -6.181 -2.299 1.00 1.00 N ATOM 214 CA LYS A 14 6.573 -7.364 -2.608 1.00 1.00 C ATOM 215 C LYS A 14 6.978 -7.403 -4.070 1.00 1.00 C ATOM 216 O LYS A 14 8.114 -7.734 -4.404 1.00 1.00 O ATOM 217 CB LYS A 14 5.782 -8.630 -2.287 1.00 1.00 C ATOM 218 CG LYS A 14 5.511 -8.686 -0.773 1.00 1.00 C ATOM 219 CD LYS A 14 5.299 -10.142 -0.294 1.00 1.00 C ATOM 220 CE LYS A 14 5.922 -10.330 1.096 1.00 1.00 C ATOM 221 NZ LYS A 14 5.128 -9.578 2.104 1.00 1.00 N ATOM 0 H LYS A 14 4.824 -6.363 -2.032 1.00 1.00 H new ATOM 0 HA LYS A 14 7.472 -7.319 -1.993 1.00 1.00 H new ATOM 0 HB2 LYS A 14 4.841 -8.635 -2.838 1.00 1.00 H new ATOM 0 HB3 LYS A 14 6.340 -9.512 -2.602 1.00 1.00 H new ATOM 0 HG2 LYS A 14 6.348 -8.242 -0.235 1.00 1.00 H new ATOM 0 HG3 LYS A 14 4.629 -8.091 -0.537 1.00 1.00 H new ATOM 0 HD2 LYS A 14 4.234 -10.371 -0.259 1.00 1.00 H new ATOM 0 HD3 LYS A 14 5.751 -10.837 -1.002 1.00 1.00 H new ATOM 0 HE2 LYS A 14 5.947 -11.389 1.354 1.00 1.00 H new ATOM 0 HE3 LYS A 14 6.953 -9.978 1.094 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 5.467 -9.813 3.059 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 5.237 -8.557 1.940 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 4.124 -9.837 2.019 1.00 1.00 H new ATOM 235 N GLU A 15 6.030 -7.086 -4.938 1.00 1.00 N ATOM 236 CA GLU A 15 6.282 -7.114 -6.367 1.00 1.00 C ATOM 237 C GLU A 15 7.415 -6.184 -6.750 1.00 1.00 C ATOM 238 O GLU A 15 8.157 -6.446 -7.698 1.00 1.00 O ATOM 239 CB GLU A 15 5.013 -6.728 -7.123 1.00 1.00 C ATOM 240 CG GLU A 15 3.958 -7.835 -6.964 1.00 1.00 C ATOM 241 CD GLU A 15 2.646 -7.394 -7.606 1.00 1.00 C ATOM 242 OE1 GLU A 15 2.625 -6.323 -8.191 1.00 1.00 O ATOM 243 OE2 GLU A 15 1.678 -8.132 -7.503 1.00 1.00 O ATOM 0 H GLU A 15 5.084 -6.808 -4.678 1.00 1.00 H new ATOM 0 HA GLU A 15 6.576 -8.128 -6.638 1.00 1.00 H new ATOM 0 HB2 GLU A 15 4.624 -5.784 -6.742 1.00 1.00 H new ATOM 0 HB3 GLU A 15 5.239 -6.576 -8.179 1.00 1.00 H new ATOM 0 HG2 GLU A 15 4.310 -8.755 -7.430 1.00 1.00 H new ATOM 0 HG3 GLU A 15 3.802 -8.052 -5.907 1.00 1.00 H new ATOM 250 N LYS A 16 7.550 -5.112 -6.006 1.00 1.00 N ATOM 251 CA LYS A 16 8.601 -4.151 -6.262 1.00 1.00 C ATOM 252 C LYS A 16 9.983 -4.771 -6.070 1.00 1.00 C ATOM 253 O LYS A 16 10.924 -4.439 -6.792 1.00 1.00 O ATOM 254 CB LYS A 16 8.408 -2.963 -5.339 1.00 1.00 C ATOM 255 CG LYS A 16 7.321 -2.069 -5.924 1.00 1.00 C ATOM 256 CD LYS A 16 6.981 -0.988 -4.928 1.00 1.00 C ATOM 257 CE LYS A 16 6.171 0.132 -5.602 1.00 1.00 C ATOM 258 NZ LYS A 16 6.377 1.409 -4.861 1.00 1.00 N ATOM 0 H LYS A 16 6.946 -4.881 -5.217 1.00 1.00 H new ATOM 0 HA LYS A 16 8.542 -3.824 -7.300 1.00 1.00 H new ATOM 0 HB2 LYS A 16 8.125 -3.300 -4.342 1.00 1.00 H new ATOM 0 HB3 LYS A 16 9.340 -2.408 -5.236 1.00 1.00 H new ATOM 0 HG2 LYS A 16 7.662 -1.625 -6.859 1.00 1.00 H new ATOM 0 HG3 LYS A 16 6.434 -2.659 -6.156 1.00 1.00 H new ATOM 0 HD2 LYS A 16 6.409 -1.413 -4.103 1.00 1.00 H new ATOM 0 HD3 LYS A 16 7.896 -0.577 -4.502 1.00 1.00 H new ATOM 0 HE2 LYS A 16 6.483 0.247 -6.640 1.00 1.00 H new ATOM 0 HE3 LYS A 16 5.112 -0.127 -5.614 1.00 1.00 H new ATOM 0 HZ1 LYS A 16 5.461 1.764 -4.520 1.00 1.00 H new ATOM 0 HZ2 LYS A 16 7.007 1.242 -4.051 1.00 1.00 H new ATOM 0 HZ3 LYS A 16 6.807 2.113 -5.495 1.00 1.00 H new ATOM 272 N LEU A 17 10.101 -5.658 -5.082 1.00 1.00 N ATOM 273 CA LEU A 17 11.377 -6.315 -4.777 1.00 1.00 C ATOM 274 C LEU A 17 11.314 -7.795 -5.152 1.00 1.00 C ATOM 275 O LEU A 17 12.307 -8.511 -5.038 1.00 1.00 O ATOM 276 CB LEU A 17 11.710 -6.164 -3.267 1.00 1.00 C ATOM 277 CG LEU A 17 10.455 -5.706 -2.475 1.00 1.00 C ATOM 278 CD1 LEU A 17 10.557 -6.135 -1.012 1.00 1.00 C ATOM 279 CD2 LEU A 17 10.338 -4.181 -2.545 1.00 1.00 C ATOM 0 H LEU A 17 9.329 -5.940 -4.477 1.00 1.00 H new ATOM 0 HA LEU A 17 12.163 -5.837 -5.362 1.00 1.00 H new ATOM 0 HB2 LEU A 17 12.070 -7.114 -2.871 1.00 1.00 H new ATOM 0 HB3 LEU A 17 12.514 -5.439 -3.137 1.00 1.00 H new ATOM 0 HG LEU A 17 9.574 -6.170 -2.918 1.00 1.00 H new ATOM 0 HD11 LEU A 17 9.669 -5.805 -0.473 1.00 1.00 H new ATOM 0 HD12 LEU A 17 10.633 -7.221 -0.956 1.00 1.00 H new ATOM 0 HD13 LEU A 17 11.442 -5.685 -0.562 1.00 1.00 H new ATOM 0 HD21 LEU A 17 9.458 -3.858 -1.990 1.00 1.00 H new ATOM 0 HD22 LEU A 17 11.228 -3.727 -2.110 1.00 1.00 H new ATOM 0 HD23 LEU A 17 10.245 -3.871 -3.586 1.00 1.00 H new ATOM 291 N ALA A 18 10.144 -8.236 -5.597 1.00 1.00 N ATOM 292 CA ALA A 18 9.958 -9.628 -5.995 1.00 1.00 C ATOM 293 C ALA A 18 9.910 -10.562 -4.784 1.00 1.00 C ATOM 294 O ALA A 18 10.746 -11.453 -4.643 1.00 1.00 O ATOM 295 CB ALA A 18 11.098 -10.045 -6.932 1.00 1.00 C ATOM 0 H ALA A 18 9.312 -7.654 -5.692 1.00 1.00 H new ATOM 0 HA ALA A 18 9.001 -9.709 -6.511 1.00 1.00 H new ATOM 0 HB1 ALA A 18 10.962 -11.084 -7.231 1.00 1.00 H new ATOM 0 HB2 ALA A 18 11.092 -9.409 -7.817 1.00 1.00 H new ATOM 0 HB3 ALA A 18 12.052 -9.938 -6.415 1.00 1.00 H new ATOM 301 N LEU A 19 8.919 -10.357 -3.920 1.00 1.00 N ATOM 302 CA LEU A 19 8.748 -11.187 -2.724 1.00 1.00 C ATOM 303 C LEU A 19 7.424 -11.943 -2.782 1.00 1.00 C ATOM 304 O LEU A 19 6.709 -11.901 -3.784 1.00 1.00 O ATOM 305 CB LEU A 19 8.794 -10.293 -1.478 1.00 1.00 C ATOM 306 CG LEU A 19 10.217 -10.242 -0.903 1.00 1.00 C ATOM 307 CD1 LEU A 19 11.181 -9.693 -1.968 1.00 1.00 C ATOM 308 CD2 LEU A 19 10.228 -9.340 0.348 1.00 1.00 C ATOM 0 H LEU A 19 8.219 -9.622 -4.024 1.00 1.00 H new ATOM 0 HA LEU A 19 9.555 -11.918 -2.677 1.00 1.00 H new ATOM 0 HB2 LEU A 19 8.463 -9.286 -1.733 1.00 1.00 H new ATOM 0 HB3 LEU A 19 8.105 -10.674 -0.724 1.00 1.00 H new ATOM 0 HG LEU A 19 10.540 -11.244 -0.621 1.00 1.00 H new ATOM 0 HD11 LEU A 19 12.191 -9.657 -1.560 1.00 1.00 H new ATOM 0 HD12 LEU A 19 11.166 -10.344 -2.842 1.00 1.00 H new ATOM 0 HD13 LEU A 19 10.870 -8.689 -2.257 1.00 1.00 H new ATOM 0 HD21 LEU A 19 11.237 -9.301 0.760 1.00 1.00 H new ATOM 0 HD22 LEU A 19 9.909 -8.334 0.074 1.00 1.00 H new ATOM 0 HD23 LEU A 19 9.547 -9.746 1.095 1.00 1.00 H new ATOM 320 N GLY A 20 7.110 -12.634 -1.689 1.00 1.00 N ATOM 321 CA GLY A 20 5.873 -13.404 -1.596 1.00 1.00 C ATOM 322 C GLY A 20 6.130 -14.871 -1.917 1.00 1.00 C ATOM 323 O GLY A 20 5.236 -15.707 -1.798 1.00 1.00 O ATOM 0 H GLY A 20 7.696 -12.676 -0.855 1.00 1.00 H new ATOM 0 HA2 GLY A 20 5.456 -13.313 -0.593 1.00 1.00 H new ATOM 0 HA3 GLY A 20 5.133 -12.999 -2.287 1.00 1.00 H new ATOM 327 N ALA A 21 7.360 -15.180 -2.321 1.00 1.00 N ATOM 328 CA ALA A 21 7.719 -16.554 -2.652 1.00 1.00 C ATOM 329 C ALA A 21 8.084 -17.319 -1.387 1.00 1.00 C ATOM 330 O ALA A 21 7.293 -18.117 -0.883 1.00 1.00 O ATOM 331 CB ALA A 21 8.907 -16.565 -3.617 1.00 1.00 C ATOM 0 H ALA A 21 8.117 -14.504 -2.426 1.00 1.00 H new ATOM 0 HA ALA A 21 6.864 -17.035 -3.127 1.00 1.00 H new ATOM 0 HB1 ALA A 21 9.169 -17.595 -3.860 1.00 1.00 H new ATOM 0 HB2 ALA A 21 8.639 -16.034 -4.530 1.00 1.00 H new ATOM 0 HB3 ALA A 21 9.760 -16.074 -3.149 1.00 1.00 H new ATOM 337 N ASP A 22 9.286 -17.066 -0.873 1.00 1.00 N ATOM 338 CA ASP A 22 9.757 -17.734 0.344 1.00 1.00 C ATOM 339 C ASP A 22 9.622 -16.811 1.549 1.00 1.00 C ATOM 340 O ASP A 22 10.152 -17.098 2.623 1.00 1.00 O ATOM 341 CB ASP A 22 11.219 -18.149 0.182 1.00 1.00 C ATOM 342 CG ASP A 22 11.339 -19.216 -0.899 1.00 1.00 C ATOM 343 OD1 ASP A 22 10.321 -19.785 -1.256 1.00 1.00 O ATOM 344 OD2 ASP A 22 12.447 -19.450 -1.354 1.00 1.00 O ATOM 0 H ASP A 22 9.951 -16.406 -1.277 1.00 1.00 H new ATOM 0 HA ASP A 22 9.144 -18.620 0.507 1.00 1.00 H new ATOM 0 HB2 ASP A 22 11.825 -17.282 -0.082 1.00 1.00 H new ATOM 0 HB3 ASP A 22 11.604 -18.532 1.127 1.00 1.00 H new ATOM 349 N VAL A 23 8.918 -15.695 1.364 1.00 1.00 N ATOM 350 CA VAL A 23 8.724 -14.721 2.441 1.00 1.00 C ATOM 351 C VAL A 23 7.246 -14.622 2.808 1.00 1.00 C ATOM 352 O VAL A 23 6.382 -14.518 1.939 1.00 1.00 O ATOM 353 CB VAL A 23 9.228 -13.343 1.994 1.00 1.00 C ATOM 354 CG1 VAL A 23 8.828 -12.278 3.027 1.00 1.00 C ATOM 355 CG2 VAL A 23 10.752 -13.384 1.854 1.00 1.00 C ATOM 0 H VAL A 23 8.473 -15.442 0.482 1.00 1.00 H new ATOM 0 HA VAL A 23 9.287 -15.052 3.313 1.00 1.00 H new ATOM 0 HB VAL A 23 8.780 -13.087 1.034 1.00 1.00 H new ATOM 0 HG11 VAL A 23 9.190 -11.302 2.702 1.00 1.00 H new ATOM 0 HG12 VAL A 23 7.742 -12.250 3.119 1.00 1.00 H new ATOM 0 HG13 VAL A 23 9.268 -12.525 3.993 1.00 1.00 H new ATOM 0 HG21 VAL A 23 11.115 -12.406 1.536 1.00 1.00 H new ATOM 0 HG22 VAL A 23 11.199 -13.642 2.814 1.00 1.00 H new ATOM 0 HG23 VAL A 23 11.029 -14.133 1.112 1.00 1.00 H new ATOM 365 N VAL A 24 6.976 -14.648 4.107 1.00 1.00 N ATOM 366 CA VAL A 24 5.608 -14.554 4.598 1.00 1.00 C ATOM 367 C VAL A 24 5.081 -13.135 4.415 1.00 1.00 C ATOM 368 O VAL A 24 5.774 -12.162 4.714 1.00 1.00 O ATOM 369 CB VAL A 24 5.552 -14.933 6.079 1.00 1.00 C ATOM 370 CG1 VAL A 24 4.130 -14.728 6.606 1.00 1.00 C ATOM 371 CG2 VAL A 24 5.948 -16.403 6.243 1.00 1.00 C ATOM 0 H VAL A 24 7.684 -14.733 4.837 1.00 1.00 H new ATOM 0 HA VAL A 24 4.986 -15.244 4.028 1.00 1.00 H new ATOM 0 HB VAL A 24 6.242 -14.304 6.641 1.00 1.00 H new ATOM 0 HG11 VAL A 24 4.091 -14.998 7.661 1.00 1.00 H new ATOM 0 HG12 VAL A 24 3.846 -13.682 6.488 1.00 1.00 H new ATOM 0 HG13 VAL A 24 3.440 -15.357 6.044 1.00 1.00 H new ATOM 0 HG21 VAL A 24 5.909 -16.675 7.298 1.00 1.00 H new ATOM 0 HG22 VAL A 24 5.257 -17.031 5.680 1.00 1.00 H new ATOM 0 HG23 VAL A 24 6.961 -16.551 5.868 1.00 1.00 H new ATOM 381 N VAL A 25 3.849 -13.026 3.921 1.00 1.00 N ATOM 382 CA VAL A 25 3.223 -11.720 3.694 1.00 1.00 C ATOM 383 C VAL A 25 2.194 -11.428 4.782 1.00 1.00 C ATOM 384 O VAL A 25 1.285 -12.223 5.017 1.00 1.00 O ATOM 385 CB VAL A 25 2.536 -11.703 2.322 1.00 1.00 C ATOM 386 CG1 VAL A 25 1.516 -12.845 2.228 1.00 1.00 C ATOM 387 CG2 VAL A 25 1.813 -10.365 2.130 1.00 1.00 C ATOM 0 H VAL A 25 3.264 -13.823 3.670 1.00 1.00 H new ATOM 0 HA VAL A 25 3.997 -10.953 3.723 1.00 1.00 H new ATOM 0 HB VAL A 25 3.291 -11.832 1.546 1.00 1.00 H new ATOM 0 HG11 VAL A 25 1.035 -12.823 1.250 1.00 1.00 H new ATOM 0 HG12 VAL A 25 2.025 -13.800 2.361 1.00 1.00 H new ATOM 0 HG13 VAL A 25 0.762 -12.725 3.006 1.00 1.00 H new ATOM 0 HG21 VAL A 25 1.325 -10.352 1.156 1.00 1.00 H new ATOM 0 HG22 VAL A 25 1.065 -10.240 2.913 1.00 1.00 H new ATOM 0 HG23 VAL A 25 2.535 -9.550 2.185 1.00 1.00 H new ATOM 397 N THR A 26 2.340 -10.278 5.444 1.00 1.00 N ATOM 398 CA THR A 26 1.418 -9.883 6.501 1.00 1.00 C ATOM 399 C THR A 26 1.051 -8.417 6.335 1.00 1.00 C ATOM 400 O THR A 26 1.829 -7.625 5.804 1.00 1.00 O ATOM 401 CB THR A 26 2.075 -10.118 7.870 1.00 1.00 C ATOM 402 OG1 THR A 26 3.460 -9.837 7.767 1.00 1.00 O ATOM 403 CG2 THR A 26 1.882 -11.572 8.308 1.00 1.00 C ATOM 0 H THR A 26 3.088 -9.608 5.264 1.00 1.00 H new ATOM 0 HA THR A 26 0.510 -10.482 6.438 1.00 1.00 H new ATOM 0 HB THR A 26 1.612 -9.465 8.610 1.00 1.00 H new ATOM 0 HG1 THR A 26 3.974 -10.640 7.993 1.00 1.00 H new ATOM 0 HG21 THR A 26 2.352 -11.725 9.279 1.00 1.00 H new ATOM 0 HG22 THR A 26 0.817 -11.791 8.382 1.00 1.00 H new ATOM 0 HG23 THR A 26 2.339 -12.237 7.575 1.00 1.00 H new ATOM 411 N ALA A 27 -0.144 -8.069 6.780 1.00 1.00 N ATOM 412 CA ALA A 27 -0.627 -6.704 6.671 1.00 1.00 C ATOM 413 C ALA A 27 -0.169 -5.865 7.855 1.00 1.00 C ATOM 414 O ALA A 27 0.182 -4.696 7.710 1.00 1.00 O ATOM 415 CB ALA A 27 -2.147 -6.716 6.620 1.00 1.00 C ATOM 0 H ALA A 27 -0.799 -8.715 7.221 1.00 1.00 H new ATOM 0 HA ALA A 27 -0.221 -6.263 5.761 1.00 1.00 H new ATOM 0 HB1 ALA A 27 -2.516 -5.694 6.538 1.00 1.00 H new ATOM 0 HB2 ALA A 27 -2.478 -7.292 5.755 1.00 1.00 H new ATOM 0 HB3 ALA A 27 -2.538 -7.171 7.530 1.00 1.00 H new ATOM 421 N ASP A 28 -0.192 -6.464 9.033 1.00 1.00 N ATOM 422 CA ASP A 28 0.207 -5.758 10.236 1.00 1.00 C ATOM 423 C ASP A 28 1.721 -5.741 10.354 1.00 1.00 C ATOM 424 O ASP A 28 2.266 -5.411 11.408 1.00 1.00 O ATOM 425 CB ASP A 28 -0.399 -6.432 11.470 1.00 1.00 C ATOM 426 CG ASP A 28 -1.911 -6.549 11.309 1.00 1.00 C ATOM 427 OD1 ASP A 28 -2.345 -6.937 10.239 1.00 1.00 O ATOM 428 OD2 ASP A 28 -2.613 -6.247 12.261 1.00 1.00 O ATOM 0 H ASP A 28 -0.481 -7.431 9.181 1.00 1.00 H new ATOM 0 HA ASP A 28 -0.158 -4.733 10.175 1.00 1.00 H new ATOM 0 HB2 ASP A 28 0.038 -7.421 11.606 1.00 1.00 H new ATOM 0 HB3 ASP A 28 -0.164 -5.854 12.363 1.00 1.00 H new ATOM 433 N SER A 29 2.405 -6.108 9.267 1.00 1.00 N ATOM 434 CA SER A 29 3.867 -6.134 9.280 1.00 1.00 C ATOM 435 C SER A 29 4.440 -4.801 8.820 1.00 1.00 C ATOM 436 O SER A 29 5.633 -4.699 8.533 1.00 1.00 O ATOM 437 CB SER A 29 4.378 -7.273 8.389 1.00 1.00 C ATOM 438 OG SER A 29 4.613 -8.415 9.200 1.00 1.00 O ATOM 0 H SER A 29 1.979 -6.386 8.383 1.00 1.00 H new ATOM 0 HA SER A 29 4.200 -6.307 10.303 1.00 1.00 H new ATOM 0 HB2 SER A 29 3.647 -7.504 7.614 1.00 1.00 H new ATOM 0 HB3 SER A 29 5.296 -6.974 7.882 1.00 1.00 H new ATOM 0 HG SER A 29 4.094 -9.172 8.857 1.00 1.00 H new ATOM 444 N GLU A 30 3.587 -3.791 8.752 1.00 1.00 N ATOM 445 CA GLU A 30 4.017 -2.470 8.324 1.00 1.00 C ATOM 446 C GLU A 30 4.638 -2.544 6.933 1.00 1.00 C ATOM 447 O GLU A 30 5.131 -3.592 6.516 1.00 1.00 O ATOM 448 CB GLU A 30 5.040 -1.900 9.318 1.00 1.00 C ATOM 449 CG GLU A 30 4.372 -1.660 10.673 1.00 1.00 C ATOM 450 CD GLU A 30 5.424 -1.315 11.720 1.00 1.00 C ATOM 451 OE1 GLU A 30 6.580 -1.195 11.352 1.00 1.00 O ATOM 452 OE2 GLU A 30 5.058 -1.180 12.877 1.00 1.00 O ATOM 0 H GLU A 30 2.597 -3.860 8.987 1.00 1.00 H new ATOM 0 HA GLU A 30 3.147 -1.814 8.291 1.00 1.00 H new ATOM 0 HB2 GLU A 30 5.874 -2.592 9.432 1.00 1.00 H new ATOM 0 HB3 GLU A 30 5.451 -0.966 8.935 1.00 1.00 H new ATOM 0 HG2 GLU A 30 3.648 -0.849 10.592 1.00 1.00 H new ATOM 0 HG3 GLU A 30 3.821 -2.550 10.979 1.00 1.00 H new ATOM 459 N PHE A 31 4.615 -1.424 6.222 1.00 1.00 N ATOM 460 CA PHE A 31 5.187 -1.370 4.879 1.00 1.00 C ATOM 461 C PHE A 31 6.687 -1.638 4.932 1.00 1.00 C ATOM 462 O PHE A 31 7.244 -2.280 4.041 1.00 1.00 O ATOM 463 CB PHE A 31 4.917 0.005 4.251 1.00 1.00 C ATOM 464 CG PHE A 31 3.496 0.069 3.747 1.00 1.00 C ATOM 465 CD1 PHE A 31 2.456 0.482 4.590 1.00 1.00 C ATOM 466 CD2 PHE A 31 3.222 -0.288 2.425 1.00 1.00 C ATOM 467 CE1 PHE A 31 1.149 0.536 4.107 1.00 1.00 C ATOM 468 CE2 PHE A 31 1.913 -0.234 1.941 1.00 1.00 C ATOM 469 CZ PHE A 31 0.875 0.178 2.780 1.00 1.00 C ATOM 0 H PHE A 31 4.210 -0.546 6.548 1.00 1.00 H new ATOM 0 HA PHE A 31 4.718 -2.139 4.265 1.00 1.00 H new ATOM 0 HB2 PHE A 31 5.087 0.791 4.987 1.00 1.00 H new ATOM 0 HB3 PHE A 31 5.612 0.182 3.430 1.00 1.00 H new ATOM 0 HD1 PHE A 31 2.666 0.758 5.613 1.00 1.00 H new ATOM 0 HD2 PHE A 31 4.024 -0.607 1.776 1.00 1.00 H new ATOM 0 HE1 PHE A 31 0.347 0.854 4.756 1.00 1.00 H new ATOM 0 HE2 PHE A 31 1.703 -0.511 0.918 1.00 1.00 H new ATOM 0 HZ PHE A 31 -0.137 0.221 2.407 1.00 1.00 H new ATOM 479 N SER A 32 7.337 -1.142 5.979 1.00 1.00 N ATOM 480 CA SER A 32 8.776 -1.337 6.136 1.00 1.00 C ATOM 481 C SER A 32 9.159 -1.323 7.611 1.00 1.00 C ATOM 482 O SER A 32 8.536 -0.634 8.418 1.00 1.00 O ATOM 483 CB SER A 32 9.530 -0.234 5.398 1.00 1.00 C ATOM 484 OG SER A 32 10.926 -0.394 5.611 1.00 1.00 O ATOM 0 H SER A 32 6.896 -0.606 6.727 1.00 1.00 H new ATOM 0 HA SER A 32 9.045 -2.306 5.714 1.00 1.00 H new ATOM 0 HB2 SER A 32 9.306 -0.276 4.332 1.00 1.00 H new ATOM 0 HB3 SER A 32 9.206 0.744 5.754 1.00 1.00 H new ATOM 0 HG SER A 32 11.264 0.356 6.144 1.00 1.00 H new ATOM 490 N LYS A 33 10.184 -2.092 7.953 1.00 1.00 N ATOM 491 CA LYS A 33 10.639 -2.163 9.335 1.00 1.00 C ATOM 492 C LYS A 33 11.133 -0.802 9.812 1.00 1.00 C ATOM 493 O LYS A 33 10.841 -0.382 10.931 1.00 1.00 O ATOM 494 CB LYS A 33 11.770 -3.183 9.456 1.00 1.00 C ATOM 495 CG LYS A 33 11.213 -4.592 9.247 1.00 1.00 C ATOM 496 CD LYS A 33 12.362 -5.610 9.245 1.00 1.00 C ATOM 497 CE LYS A 33 12.871 -5.846 10.673 1.00 1.00 C ATOM 498 NZ LYS A 33 13.750 -7.050 10.691 1.00 1.00 N ATOM 0 H LYS A 33 10.712 -2.670 7.299 1.00 1.00 H new ATOM 0 HA LYS A 33 9.798 -2.469 9.957 1.00 1.00 H new ATOM 0 HB2 LYS A 33 12.543 -2.973 8.717 1.00 1.00 H new ATOM 0 HB3 LYS A 33 12.238 -3.108 10.437 1.00 1.00 H new ATOM 0 HG2 LYS A 33 10.503 -4.833 10.038 1.00 1.00 H new ATOM 0 HG3 LYS A 33 10.669 -4.642 8.304 1.00 1.00 H new ATOM 0 HD2 LYS A 33 12.021 -6.551 8.813 1.00 1.00 H new ATOM 0 HD3 LYS A 33 13.176 -5.248 8.617 1.00 1.00 H new ATOM 0 HE2 LYS A 33 13.423 -4.974 11.023 1.00 1.00 H new ATOM 0 HE3 LYS A 33 12.030 -5.985 11.353 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 14.097 -7.212 11.658 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 13.209 -7.879 10.373 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 14.558 -6.899 10.054 1.00 1.00 H new ATOM 512 N LEU A 34 11.888 -0.117 8.954 1.00 1.00 N ATOM 513 CA LEU A 34 12.430 1.203 9.290 1.00 1.00 C ATOM 514 C LEU A 34 11.723 2.283 8.484 1.00 1.00 C ATOM 515 O LEU A 34 11.494 2.129 7.284 1.00 1.00 O ATOM 516 CB LEU A 34 13.931 1.237 8.985 1.00 1.00 C ATOM 517 CG LEU A 34 14.633 0.092 9.724 1.00 1.00 C ATOM 518 CD1 LEU A 34 16.125 0.105 9.376 1.00 1.00 C ATOM 519 CD2 LEU A 34 14.453 0.253 11.245 1.00 1.00 C ATOM 0 H LEU A 34 12.139 -0.451 8.023 1.00 1.00 H new ATOM 0 HA LEU A 34 12.269 1.390 10.352 1.00 1.00 H new ATOM 0 HB2 LEU A 34 14.096 1.145 7.911 1.00 1.00 H new ATOM 0 HB3 LEU A 34 14.353 2.194 9.292 1.00 1.00 H new ATOM 0 HG LEU A 34 14.193 -0.857 9.417 1.00 1.00 H new ATOM 0 HD11 LEU A 34 16.628 -0.708 9.900 1.00 1.00 H new ATOM 0 HD12 LEU A 34 16.249 -0.024 8.301 1.00 1.00 H new ATOM 0 HD13 LEU A 34 16.561 1.057 9.680 1.00 1.00 H new ATOM 0 HD21 LEU A 34 14.956 -0.566 11.760 1.00 1.00 H new ATOM 0 HD22 LEU A 34 14.885 1.202 11.564 1.00 1.00 H new ATOM 0 HD23 LEU A 34 13.391 0.237 11.489 1.00 1.00 H new ATOM 531 N GLY A 35 11.367 3.372 9.155 1.00 1.00 N ATOM 532 CA GLY A 35 10.673 4.465 8.488 1.00 1.00 C ATOM 533 C GLY A 35 11.499 5.005 7.329 1.00 1.00 C ATOM 534 O GLY A 35 11.008 5.108 6.205 1.00 1.00 O ATOM 0 H GLY A 35 11.545 3.521 10.148 1.00 1.00 H new ATOM 0 HA2 GLY A 35 9.707 4.118 8.121 1.00 1.00 H new ATOM 0 HA3 GLY A 35 10.474 5.264 9.202 1.00 1.00 H new ATOM 538 N ALA A 36 12.758 5.342 7.606 1.00 1.00 N ATOM 539 CA ALA A 36 13.652 5.866 6.574 1.00 1.00 C ATOM 540 C ALA A 36 12.904 6.805 5.631 1.00 1.00 C ATOM 541 O ALA A 36 12.283 6.361 4.664 1.00 1.00 O ATOM 542 CB ALA A 36 14.254 4.708 5.776 1.00 1.00 C ATOM 0 H ALA A 36 13.180 5.262 8.531 1.00 1.00 H new ATOM 0 HA ALA A 36 14.448 6.429 7.062 1.00 1.00 H new ATOM 0 HB1 ALA A 36 14.919 5.102 5.008 1.00 1.00 H new ATOM 0 HB2 ALA A 36 14.818 4.059 6.446 1.00 1.00 H new ATOM 0 HB3 ALA A 36 13.454 4.137 5.305 1.00 1.00 H new ATOM 548 N ASP A 37 12.961 8.099 5.918 1.00 1.00 N ATOM 549 CA ASP A 37 12.278 9.082 5.087 1.00 1.00 C ATOM 550 C ASP A 37 12.789 9.009 3.653 1.00 1.00 C ATOM 551 O ASP A 37 13.990 9.112 3.405 1.00 1.00 O ATOM 552 CB ASP A 37 12.509 10.488 5.645 1.00 1.00 C ATOM 553 CG ASP A 37 11.730 11.510 4.826 1.00 1.00 C ATOM 554 OD1 ASP A 37 11.172 11.126 3.811 1.00 1.00 O ATOM 555 OD2 ASP A 37 11.706 12.662 5.224 1.00 1.00 O ATOM 0 H ASP A 37 13.468 8.490 6.712 1.00 1.00 H new ATOM 0 HA ASP A 37 11.210 8.863 5.094 1.00 1.00 H new ATOM 0 HB2 ASP A 37 12.195 10.530 6.688 1.00 1.00 H new ATOM 0 HB3 ASP A 37 13.572 10.727 5.623 1.00 1.00 H new ATOM 560 N SER A 38 11.867 8.823 2.713 1.00 1.00 N ATOM 561 CA SER A 38 12.229 8.727 1.304 1.00 1.00 C ATOM 562 C SER A 38 11.033 9.066 0.422 1.00 1.00 C ATOM 563 O SER A 38 9.913 9.217 0.908 1.00 1.00 O ATOM 564 CB SER A 38 12.719 7.316 0.985 1.00 1.00 C ATOM 0 H SER A 38 10.868 8.736 2.901 1.00 1.00 H new ATOM 0 HA SER A 38 13.028 9.440 1.103 1.00 1.00 H new ATOM 569 N LEU A 39 11.282 9.188 -0.880 1.00 1.00 N ATOM 570 CA LEU A 39 10.223 9.513 -1.836 1.00 1.00 C ATOM 571 C LEU A 39 9.666 8.243 -2.467 1.00 1.00 C ATOM 572 O LEU A 39 9.012 8.291 -3.507 1.00 1.00 O ATOM 573 CB LEU A 39 10.776 10.431 -2.929 1.00 1.00 C ATOM 574 CG LEU A 39 11.504 11.616 -2.285 1.00 1.00 C ATOM 575 CD1 LEU A 39 12.066 12.523 -3.384 1.00 1.00 C ATOM 576 CD2 LEU A 39 10.533 12.414 -1.402 1.00 1.00 C ATOM 0 H LEU A 39 12.205 9.067 -1.298 1.00 1.00 H new ATOM 0 HA LEU A 39 9.419 10.023 -1.305 1.00 1.00 H new ATOM 0 HB2 LEU A 39 11.460 9.877 -3.572 1.00 1.00 H new ATOM 0 HB3 LEU A 39 9.964 10.790 -3.562 1.00 1.00 H new ATOM 0 HG LEU A 39 12.319 11.243 -1.665 1.00 1.00 H new ATOM 0 HD11 LEU A 39 12.585 13.367 -2.929 1.00 1.00 H new ATOM 0 HD12 LEU A 39 12.765 11.957 -4.001 1.00 1.00 H new ATOM 0 HD13 LEU A 39 11.249 12.891 -4.005 1.00 1.00 H new ATOM 0 HD21 LEU A 39 11.060 13.254 -0.949 1.00 1.00 H new ATOM 0 HD22 LEU A 39 9.710 12.788 -2.012 1.00 1.00 H new ATOM 0 HD23 LEU A 39 10.139 11.767 -0.618 1.00 1.00 H new ATOM 588 N ASP A 40 9.931 7.107 -1.832 1.00 1.00 N ATOM 589 CA ASP A 40 9.449 5.828 -2.340 1.00 1.00 C ATOM 590 C ASP A 40 7.930 5.753 -2.239 1.00 1.00 C ATOM 591 O ASP A 40 7.297 4.906 -2.870 1.00 1.00 O ATOM 592 CB ASP A 40 10.071 4.679 -1.544 1.00 1.00 C ATOM 593 CG ASP A 40 11.555 4.565 -1.872 1.00 1.00 C ATOM 594 OD1 ASP A 40 11.981 5.194 -2.827 1.00 1.00 O ATOM 595 OD2 ASP A 40 12.246 3.853 -1.162 1.00 1.00 O ATOM 0 H ASP A 40 10.473 7.045 -0.970 1.00 1.00 H new ATOM 0 HA ASP A 40 9.740 5.742 -3.387 1.00 1.00 H new ATOM 0 HB2 ASP A 40 9.938 4.851 -0.476 1.00 1.00 H new ATOM 0 HB3 ASP A 40 9.564 3.744 -1.782 1.00 1.00 H new ATOM 600 N THR A 41 7.349 6.642 -1.440 1.00 1.00 N ATOM 601 CA THR A 41 5.902 6.665 -1.263 1.00 1.00 C ATOM 602 C THR A 41 5.206 7.005 -2.576 1.00 1.00 C ATOM 603 O THR A 41 4.088 6.564 -2.817 1.00 1.00 O ATOM 604 CB THR A 41 5.515 7.692 -0.195 1.00 1.00 C ATOM 605 OG1 THR A 41 6.087 7.309 1.048 1.00 1.00 O ATOM 606 CG2 THR A 41 3.990 7.755 -0.055 1.00 1.00 C ATOM 0 H THR A 41 7.854 7.351 -0.908 1.00 1.00 H new ATOM 0 HA THR A 41 5.582 5.674 -0.941 1.00 1.00 H new ATOM 0 HB THR A 41 5.886 8.674 -0.489 1.00 1.00 H new ATOM 0 HG1 THR A 41 5.844 7.964 1.735 1.00 1.00 H new ATOM 0 HG21 THR A 41 3.725 8.488 0.707 1.00 1.00 H new ATOM 0 HG22 THR A 41 3.549 8.046 -1.008 1.00 1.00 H new ATOM 0 HG23 THR A 41 3.611 6.776 0.236 1.00 1.00 H new ATOM 614 N VAL A 42 5.876 7.796 -3.414 1.00 1.00 N ATOM 615 CA VAL A 42 5.317 8.197 -4.706 1.00 1.00 C ATOM 616 C VAL A 42 5.123 6.994 -5.609 1.00 1.00 C ATOM 617 O VAL A 42 4.147 6.890 -6.347 1.00 1.00 O ATOM 618 CB VAL A 42 6.260 9.205 -5.372 1.00 1.00 C ATOM 619 CG1 VAL A 42 7.424 8.499 -6.084 1.00 1.00 C ATOM 620 CG2 VAL A 42 5.480 10.050 -6.386 1.00 1.00 C ATOM 0 H VAL A 42 6.805 8.171 -3.222 1.00 1.00 H new ATOM 0 HA VAL A 42 4.342 8.656 -4.541 1.00 1.00 H new ATOM 0 HB VAL A 42 6.674 9.844 -4.592 1.00 1.00 H new ATOM 0 HG11 VAL A 42 8.073 9.243 -6.545 1.00 1.00 H new ATOM 0 HG12 VAL A 42 7.995 7.918 -5.360 1.00 1.00 H new ATOM 0 HG13 VAL A 42 7.031 7.834 -6.853 1.00 1.00 H new ATOM 0 HG21 VAL A 42 6.153 10.766 -6.858 1.00 1.00 H new ATOM 0 HG22 VAL A 42 5.050 9.399 -7.148 1.00 1.00 H new ATOM 0 HG23 VAL A 42 4.681 10.586 -5.874 1.00 1.00 H new ATOM 630 N GLU A 43 6.080 6.104 -5.562 1.00 1.00 N ATOM 631 CA GLU A 43 6.012 4.906 -6.379 1.00 1.00 C ATOM 632 C GLU A 43 4.953 3.949 -5.832 1.00 1.00 C ATOM 633 O GLU A 43 4.233 3.305 -6.595 1.00 1.00 O ATOM 634 CB GLU A 43 7.369 4.201 -6.411 1.00 1.00 C ATOM 635 CG GLU A 43 7.349 3.099 -7.476 1.00 1.00 C ATOM 636 CD GLU A 43 7.332 3.720 -8.872 1.00 1.00 C ATOM 637 OE1 GLU A 43 7.458 4.930 -8.963 1.00 1.00 O ATOM 638 OE2 GLU A 43 7.191 2.975 -9.828 1.00 1.00 O ATOM 0 H GLU A 43 6.911 6.178 -4.975 1.00 1.00 H new ATOM 0 HA GLU A 43 5.740 5.201 -7.393 1.00 1.00 H new ATOM 0 HB2 GLU A 43 8.159 4.919 -6.631 1.00 1.00 H new ATOM 0 HB3 GLU A 43 7.591 3.773 -5.434 1.00 1.00 H new ATOM 0 HG2 GLU A 43 8.224 2.459 -7.365 1.00 1.00 H new ATOM 0 HG3 GLU A 43 6.472 2.466 -7.340 1.00 1.00 H new ATOM 645 N ILE A 44 4.891 3.839 -4.506 1.00 1.00 N ATOM 646 CA ILE A 44 3.939 2.925 -3.868 1.00 1.00 C ATOM 647 C ILE A 44 2.495 3.367 -4.096 1.00 1.00 C ATOM 648 O ILE A 44 1.637 2.550 -4.427 1.00 1.00 O ATOM 649 CB ILE A 44 4.210 2.861 -2.357 1.00 1.00 C ATOM 650 CG1 ILE A 44 5.595 2.239 -2.081 1.00 1.00 C ATOM 651 CG2 ILE A 44 3.119 2.029 -1.668 1.00 1.00 C ATOM 652 CD1 ILE A 44 5.559 0.704 -2.162 1.00 1.00 C ATOM 0 H ILE A 44 5.479 4.363 -3.858 1.00 1.00 H new ATOM 0 HA ILE A 44 4.074 1.942 -4.318 1.00 1.00 H new ATOM 0 HB ILE A 44 4.198 3.875 -1.958 1.00 1.00 H new ATOM 0 HG12 ILE A 44 6.316 2.624 -2.802 1.00 1.00 H new ATOM 0 HG13 ILE A 44 5.939 2.543 -1.092 1.00 1.00 H new ATOM 0 HG21 ILE A 44 3.316 1.987 -0.597 1.00 1.00 H new ATOM 0 HG22 ILE A 44 2.146 2.490 -1.840 1.00 1.00 H new ATOM 0 HG23 ILE A 44 3.119 1.019 -2.077 1.00 1.00 H new ATOM 0 HD11 ILE A 44 6.554 0.306 -1.962 1.00 1.00 H new ATOM 0 HD12 ILE A 44 4.857 0.317 -1.423 1.00 1.00 H new ATOM 0 HD13 ILE A 44 5.240 0.400 -3.159 1.00 1.00 H new ATOM 664 N VAL A 45 2.229 4.650 -3.910 1.00 1.00 N ATOM 665 CA VAL A 45 0.879 5.164 -4.089 1.00 1.00 C ATOM 666 C VAL A 45 0.413 4.941 -5.517 1.00 1.00 C ATOM 667 O VAL A 45 -0.731 4.558 -5.757 1.00 1.00 O ATOM 668 CB VAL A 45 0.837 6.659 -3.762 1.00 1.00 C ATOM 669 CG1 VAL A 45 1.836 7.399 -4.641 1.00 1.00 C ATOM 670 CG2 VAL A 45 -0.570 7.211 -4.022 1.00 1.00 C ATOM 0 H VAL A 45 2.921 5.349 -3.638 1.00 1.00 H new ATOM 0 HA VAL A 45 0.213 4.629 -3.411 1.00 1.00 H new ATOM 0 HB VAL A 45 1.093 6.802 -2.712 1.00 1.00 H new ATOM 0 HG11 VAL A 45 1.806 8.464 -4.409 1.00 1.00 H new ATOM 0 HG12 VAL A 45 2.839 7.015 -4.455 1.00 1.00 H new ATOM 0 HG13 VAL A 45 1.579 7.249 -5.690 1.00 1.00 H new ATOM 0 HG21 VAL A 45 -0.592 8.275 -3.787 1.00 1.00 H new ATOM 0 HG22 VAL A 45 -0.830 7.065 -5.070 1.00 1.00 H new ATOM 0 HG23 VAL A 45 -1.289 6.686 -3.393 1.00 1.00 H new ATOM 680 N MET A 46 1.308 5.181 -6.460 1.00 1.00 N ATOM 681 CA MET A 46 0.975 5.003 -7.863 1.00 1.00 C ATOM 682 C MET A 46 0.681 3.536 -8.163 1.00 1.00 C ATOM 683 O MET A 46 -0.229 3.222 -8.928 1.00 1.00 O ATOM 684 CB MET A 46 2.128 5.497 -8.746 1.00 1.00 C ATOM 685 CG MET A 46 2.173 7.040 -8.797 1.00 1.00 C ATOM 686 SD MET A 46 0.596 7.737 -9.373 1.00 1.00 S ATOM 687 CE MET A 46 0.471 6.814 -10.921 1.00 1.00 C ATOM 0 H MET A 46 2.262 5.497 -6.283 1.00 1.00 H new ATOM 0 HA MET A 46 0.082 5.589 -8.082 1.00 1.00 H new ATOM 0 HB2 MET A 46 3.074 5.116 -8.360 1.00 1.00 H new ATOM 0 HB3 MET A 46 2.012 5.101 -9.755 1.00 1.00 H new ATOM 0 HG2 MET A 46 2.404 7.431 -7.806 1.00 1.00 H new ATOM 0 HG3 MET A 46 2.977 7.359 -9.461 1.00 1.00 H new ATOM 0 HE1 MET A 46 -0.116 7.386 -11.639 1.00 1.00 H new ATOM 0 HE2 MET A 46 1.469 6.642 -11.323 1.00 1.00 H new ATOM 0 HE3 MET A 46 -0.016 5.856 -10.735 1.00 1.00 H new ATOM 697 N ASN A 47 1.447 2.641 -7.562 1.00 1.00 N ATOM 698 CA ASN A 47 1.241 1.225 -7.789 1.00 1.00 C ATOM 699 C ASN A 47 -0.169 0.825 -7.353 1.00 1.00 C ATOM 700 O ASN A 47 -0.857 0.079 -8.051 1.00 1.00 O ATOM 701 CB ASN A 47 2.298 0.441 -6.991 1.00 1.00 C ATOM 702 CG ASN A 47 3.602 0.352 -7.777 1.00 1.00 C ATOM 703 OD1 ASN A 47 4.496 1.181 -7.602 1.00 1.00 O ATOM 704 ND2 ASN A 47 3.762 -0.618 -8.630 1.00 1.00 N ATOM 0 H ASN A 47 2.208 2.868 -6.921 1.00 1.00 H new ATOM 0 HA ASN A 47 1.344 0.997 -8.850 1.00 1.00 H new ATOM 0 HB2 ASN A 47 2.476 0.930 -6.033 1.00 1.00 H new ATOM 0 HB3 ASN A 47 1.929 -0.561 -6.773 1.00 1.00 H new ATOM 0 HD21 ASN A 47 4.631 -0.695 -9.158 1.00 1.00 H new ATOM 0 HD22 ASN A 47 3.018 -1.301 -8.771 1.00 1.00 H new ATOM 711 N LEU A 48 -0.594 1.335 -6.207 1.00 1.00 N ATOM 712 CA LEU A 48 -1.928 1.036 -5.694 1.00 1.00 C ATOM 713 C LEU A 48 -2.982 1.785 -6.499 1.00 1.00 C ATOM 714 O LEU A 48 -3.970 1.205 -6.950 1.00 1.00 O ATOM 715 CB LEU A 48 -2.012 1.440 -4.217 1.00 1.00 C ATOM 716 CG LEU A 48 -0.826 0.835 -3.431 1.00 1.00 C ATOM 717 CD1 LEU A 48 -0.605 1.636 -2.147 1.00 1.00 C ATOM 718 CD2 LEU A 48 -1.129 -0.620 -3.061 1.00 1.00 C ATOM 0 H LEU A 48 -0.040 1.955 -5.615 1.00 1.00 H new ATOM 0 HA LEU A 48 -2.114 -0.034 -5.787 1.00 1.00 H new ATOM 0 HB2 LEU A 48 -2.001 2.526 -4.128 1.00 1.00 H new ATOM 0 HB3 LEU A 48 -2.954 1.095 -3.791 1.00 1.00 H new ATOM 0 HG LEU A 48 0.067 0.873 -4.055 1.00 1.00 H new ATOM 0 HD11 LEU A 48 0.231 1.210 -1.592 1.00 1.00 H new ATOM 0 HD12 LEU A 48 -0.383 2.673 -2.399 1.00 1.00 H new ATOM 0 HD13 LEU A 48 -1.505 1.596 -1.534 1.00 1.00 H new ATOM 0 HD21 LEU A 48 -0.288 -1.037 -2.508 1.00 1.00 H new ATOM 0 HD22 LEU A 48 -2.026 -0.659 -2.442 1.00 1.00 H new ATOM 0 HD23 LEU A 48 -1.290 -1.201 -3.969 1.00 1.00 H new ATOM 730 N GLU A 49 -2.762 3.078 -6.689 1.00 1.00 N ATOM 731 CA GLU A 49 -3.701 3.891 -7.443 1.00 1.00 C ATOM 732 C GLU A 49 -3.843 3.344 -8.857 1.00 1.00 C ATOM 733 O GLU A 49 -4.940 3.301 -9.410 1.00 1.00 O ATOM 734 CB GLU A 49 -3.212 5.338 -7.492 1.00 1.00 C ATOM 735 CG GLU A 49 -4.318 6.230 -8.054 1.00 1.00 C ATOM 736 CD GLU A 49 -3.827 7.667 -8.159 1.00 1.00 C ATOM 737 OE1 GLU A 49 -2.831 7.980 -7.527 1.00 1.00 O ATOM 738 OE2 GLU A 49 -4.454 8.438 -8.866 1.00 1.00 O ATOM 0 H GLU A 49 -1.949 3.582 -6.335 1.00 1.00 H new ATOM 0 HA GLU A 49 -4.673 3.860 -6.951 1.00 1.00 H new ATOM 0 HB2 GLU A 49 -2.932 5.673 -6.493 1.00 1.00 H new ATOM 0 HB3 GLU A 49 -2.320 5.411 -8.114 1.00 1.00 H new ATOM 0 HG2 GLU A 49 -4.623 5.869 -9.036 1.00 1.00 H new ATOM 0 HG3 GLU A 49 -5.196 6.183 -7.410 1.00 1.00 H new ATOM 745 N GLU A 50 -2.721 2.923 -9.438 1.00 1.00 N ATOM 746 CA GLU A 50 -2.734 2.375 -10.789 1.00 1.00 C ATOM 747 C GLU A 50 -3.446 1.024 -10.823 1.00 1.00 C ATOM 748 O GLU A 50 -4.275 0.774 -11.699 1.00 1.00 O ATOM 749 CB GLU A 50 -1.299 2.216 -11.307 1.00 1.00 C ATOM 750 CG GLU A 50 -1.316 1.821 -12.788 1.00 1.00 C ATOM 751 CD GLU A 50 -1.819 2.987 -13.635 1.00 1.00 C ATOM 752 OE1 GLU A 50 -1.952 4.073 -13.096 1.00 1.00 O ATOM 753 OE2 GLU A 50 -2.068 2.775 -14.810 1.00 1.00 O ATOM 0 H GLU A 50 -1.801 2.951 -8.998 1.00 1.00 H new ATOM 0 HA GLU A 50 -3.276 3.069 -11.431 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -0.752 3.150 -11.178 1.00 1.00 H new ATOM 0 HB3 GLU A 50 -0.776 1.457 -10.726 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -0.314 1.535 -13.108 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -1.958 0.952 -12.933 1.00 1.00 H new ATOM 760 N GLU A 51 -3.114 0.153 -9.872 1.00 1.00 N ATOM 761 CA GLU A 51 -3.729 -1.169 -9.821 1.00 1.00 C ATOM 762 C GLU A 51 -5.224 -1.062 -9.536 1.00 1.00 C ATOM 763 O GLU A 51 -6.050 -1.532 -10.319 1.00 1.00 O ATOM 764 CB GLU A 51 -3.067 -2.000 -8.725 1.00 1.00 C ATOM 765 CG GLU A 51 -3.581 -3.437 -8.790 1.00 1.00 C ATOM 766 CD GLU A 51 -2.975 -4.252 -7.660 1.00 1.00 C ATOM 767 OE1 GLU A 51 -3.110 -3.835 -6.521 1.00 1.00 O ATOM 768 OE2 GLU A 51 -2.380 -5.278 -7.945 1.00 1.00 O ATOM 0 H GLU A 51 -2.432 0.336 -9.136 1.00 1.00 H new ATOM 0 HA GLU A 51 -3.590 -1.650 -10.789 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -1.984 -1.985 -8.847 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -3.284 -1.570 -7.747 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -4.668 -3.448 -8.716 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -3.323 -3.882 -9.751 1.00 1.00 H new ATOM 775 N PHE A 52 -5.560 -0.437 -8.414 1.00 1.00 N ATOM 776 CA PHE A 52 -6.957 -0.270 -8.034 1.00 1.00 C ATOM 777 C PHE A 52 -7.671 0.634 -9.029 1.00 1.00 C ATOM 778 O PHE A 52 -8.862 0.465 -9.293 1.00 1.00 O ATOM 779 CB PHE A 52 -7.058 0.310 -6.619 1.00 1.00 C ATOM 780 CG PHE A 52 -6.538 -0.695 -5.617 1.00 1.00 C ATOM 781 CD1 PHE A 52 -7.190 -1.928 -5.453 1.00 1.00 C ATOM 782 CD2 PHE A 52 -5.406 -0.399 -4.848 1.00 1.00 C ATOM 783 CE1 PHE A 52 -6.709 -2.855 -4.522 1.00 1.00 C ATOM 784 CE2 PHE A 52 -4.927 -1.326 -3.920 1.00 1.00 C ATOM 785 CZ PHE A 52 -5.575 -2.552 -3.757 1.00 1.00 C ATOM 0 H PHE A 52 -4.890 -0.040 -7.756 1.00 1.00 H new ATOM 0 HA PHE A 52 -7.440 -1.247 -8.044 1.00 1.00 H new ATOM 0 HB2 PHE A 52 -6.484 1.234 -6.553 1.00 1.00 H new ATOM 0 HB3 PHE A 52 -8.094 0.561 -6.392 1.00 1.00 H new ATOM 0 HD1 PHE A 52 -8.063 -2.161 -6.045 1.00 1.00 H new ATOM 0 HD2 PHE A 52 -4.902 0.548 -4.973 1.00 1.00 H new ATOM 0 HE1 PHE A 52 -7.211 -3.803 -4.393 1.00 1.00 H new ATOM 0 HE2 PHE A 52 -4.054 -1.094 -3.328 1.00 1.00 H new ATOM 0 HZ PHE A 52 -5.201 -3.268 -3.040 1.00 1.00 H new ATOM 795 N GLY A 53 -6.940 1.596 -9.577 1.00 1.00 N ATOM 796 CA GLY A 53 -7.521 2.518 -10.542 1.00 1.00 C ATOM 797 C GLY A 53 -8.350 3.578 -9.836 1.00 1.00 C ATOM 798 O GLY A 53 -9.470 3.883 -10.250 1.00 1.00 O ATOM 0 H GLY A 53 -5.954 1.757 -9.372 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -6.729 2.994 -11.121 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -8.146 1.969 -11.247 1.00 1.00 H new ATOM 802 N ILE A 54 -7.794 4.134 -8.759 1.00 1.00 N ATOM 803 CA ILE A 54 -8.484 5.165 -7.981 1.00 1.00 C ATOM 804 C ILE A 54 -7.695 6.471 -8.004 1.00 1.00 C ATOM 805 O ILE A 54 -6.866 6.688 -8.891 1.00 1.00 O ATOM 806 CB ILE A 54 -8.664 4.682 -6.539 1.00 1.00 C ATOM 807 CG1 ILE A 54 -7.294 4.321 -5.945 1.00 1.00 C ATOM 808 CG2 ILE A 54 -9.593 3.461 -6.518 1.00 1.00 C ATOM 809 CD1 ILE A 54 -7.413 3.905 -4.473 1.00 1.00 C ATOM 0 H ILE A 54 -6.869 3.889 -8.405 1.00 1.00 H new ATOM 0 HA ILE A 54 -9.462 5.349 -8.425 1.00 1.00 H new ATOM 0 HB ILE A 54 -9.111 5.475 -5.939 1.00 1.00 H new ATOM 0 HG12 ILE A 54 -6.850 3.508 -6.519 1.00 1.00 H new ATOM 0 HG13 ILE A 54 -6.623 5.175 -6.030 1.00 1.00 H new ATOM 0 HG21 ILE A 54 -9.720 3.118 -5.491 1.00 1.00 H new ATOM 0 HG22 ILE A 54 -10.563 3.735 -6.932 1.00 1.00 H new ATOM 0 HG23 ILE A 54 -9.156 2.661 -7.116 1.00 1.00 H new ATOM 0 HD11 ILE A 54 -6.426 3.656 -4.084 1.00 1.00 H new ATOM 0 HD12 ILE A 54 -7.834 4.728 -3.895 1.00 1.00 H new ATOM 0 HD13 ILE A 54 -8.064 3.035 -4.392 1.00 1.00 H new ATOM 821 N ASN A 55 -7.961 7.343 -7.030 1.00 1.00 N ATOM 822 CA ASN A 55 -7.275 8.631 -6.935 1.00 1.00 C ATOM 823 C ASN A 55 -6.778 8.848 -5.513 1.00 1.00 C ATOM 824 O ASN A 55 -7.572 8.970 -4.579 1.00 1.00 O ATOM 825 CB ASN A 55 -8.227 9.766 -7.322 1.00 1.00 C ATOM 826 CG ASN A 55 -9.331 9.905 -6.280 1.00 1.00 C ATOM 827 OD1 ASN A 55 -9.707 11.019 -5.917 1.00 1.00 O ATOM 828 ND2 ASN A 55 -9.874 8.834 -5.774 1.00 1.00 N ATOM 0 H ASN A 55 -8.648 7.179 -6.294 1.00 1.00 H new ATOM 0 HA ASN A 55 -6.427 8.628 -7.619 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -7.674 10.702 -7.404 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -8.664 9.567 -8.301 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -10.612 8.918 -5.075 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -9.561 7.912 -6.077 1.00 1.00 H new ATOM 835 N VAL A 56 -5.456 8.897 -5.351 1.00 1.00 N ATOM 836 CA VAL A 56 -4.849 9.100 -4.035 1.00 1.00 C ATOM 837 C VAL A 56 -4.082 10.417 -4.007 1.00 1.00 C ATOM 838 O VAL A 56 -3.268 10.692 -4.887 1.00 1.00 O ATOM 839 CB VAL A 56 -3.891 7.948 -3.719 1.00 1.00 C ATOM 840 CG1 VAL A 56 -3.240 8.185 -2.355 1.00 1.00 C ATOM 841 CG2 VAL A 56 -4.668 6.629 -3.689 1.00 1.00 C ATOM 0 H VAL A 56 -4.785 8.799 -6.113 1.00 1.00 H new ATOM 0 HA VAL A 56 -5.641 9.130 -3.287 1.00 1.00 H new ATOM 0 HB VAL A 56 -3.120 7.898 -4.487 1.00 1.00 H new ATOM 0 HG11 VAL A 56 -2.558 7.365 -2.130 1.00 1.00 H new ATOM 0 HG12 VAL A 56 -2.685 9.123 -2.375 1.00 1.00 H new ATOM 0 HG13 VAL A 56 -4.012 8.236 -1.587 1.00 1.00 H new ATOM 0 HG21 VAL A 56 -3.985 5.810 -3.464 1.00 1.00 H new ATOM 0 HG22 VAL A 56 -5.440 6.679 -2.921 1.00 1.00 H new ATOM 0 HG23 VAL A 56 -5.132 6.458 -4.660 1.00 1.00 H new ATOM 851 N ASP A 57 -4.348 11.223 -2.981 1.00 1.00 N ATOM 852 CA ASP A 57 -3.680 12.514 -2.824 1.00 1.00 C ATOM 853 C ASP A 57 -2.442 12.368 -1.943 1.00 1.00 C ATOM 854 O ASP A 57 -2.362 11.458 -1.116 1.00 1.00 O ATOM 855 CB ASP A 57 -4.649 13.524 -2.202 1.00 1.00 C ATOM 856 CG ASP A 57 -5.703 13.938 -3.225 1.00 1.00 C ATOM 857 OD1 ASP A 57 -5.489 13.693 -4.401 1.00 1.00 O ATOM 858 OD2 ASP A 57 -6.708 14.496 -2.817 1.00 1.00 O ATOM 0 H ASP A 57 -5.021 11.005 -2.246 1.00 1.00 H new ATOM 0 HA ASP A 57 -3.368 12.872 -3.805 1.00 1.00 H new ATOM 0 HB2 ASP A 57 -5.131 13.086 -1.328 1.00 1.00 H new ATOM 0 HB3 ASP A 57 -4.101 14.401 -1.858 1.00 1.00 H new ATOM 863 N GLU A 58 -1.479 13.264 -2.126 1.00 1.00 N ATOM 864 CA GLU A 58 -0.254 13.226 -1.349 1.00 1.00 C ATOM 865 C GLU A 58 -0.562 13.367 0.137 1.00 1.00 C ATOM 866 O GLU A 58 0.096 12.753 0.977 1.00 1.00 O ATOM 867 CB GLU A 58 0.661 14.365 -1.798 1.00 1.00 C ATOM 868 CG GLU A 58 1.995 14.248 -1.075 1.00 1.00 C ATOM 869 CD GLU A 58 2.958 15.325 -1.560 1.00 1.00 C ATOM 870 OE1 GLU A 58 2.508 16.233 -2.240 1.00 1.00 O ATOM 871 OE2 GLU A 58 4.132 15.228 -1.244 1.00 1.00 O ATOM 0 H GLU A 58 -1.526 14.023 -2.806 1.00 1.00 H new ATOM 0 HA GLU A 58 0.242 12.269 -1.511 1.00 1.00 H new ATOM 0 HB2 GLU A 58 0.813 14.322 -2.876 1.00 1.00 H new ATOM 0 HB3 GLU A 58 0.198 15.327 -1.579 1.00 1.00 H new ATOM 0 HG2 GLU A 58 1.843 14.344 0.000 1.00 1.00 H new ATOM 0 HG3 GLU A 58 2.425 13.262 -1.249 1.00 1.00 H new ATOM 878 N ASP A 59 -1.563 14.179 0.457 1.00 1.00 N ATOM 879 CA ASP A 59 -1.943 14.390 1.847 1.00 1.00 C ATOM 880 C ASP A 59 -2.553 13.124 2.432 1.00 1.00 C ATOM 881 O ASP A 59 -2.588 12.946 3.649 1.00 1.00 O ATOM 882 CB ASP A 59 -2.953 15.535 1.947 1.00 1.00 C ATOM 883 CG ASP A 59 -2.264 16.863 1.658 1.00 1.00 C ATOM 884 OD1 ASP A 59 -1.045 16.897 1.698 1.00 1.00 O ATOM 885 OD2 ASP A 59 -2.966 17.829 1.405 1.00 1.00 O ATOM 0 H ASP A 59 -2.121 14.698 -0.221 1.00 1.00 H new ATOM 0 HA ASP A 59 -1.047 14.646 2.412 1.00 1.00 H new ATOM 0 HB2 ASP A 59 -3.767 15.376 1.239 1.00 1.00 H new ATOM 0 HB3 ASP A 59 -3.396 15.555 2.943 1.00 1.00 H new ATOM 890 N LYS A 60 -3.030 12.245 1.557 1.00 1.00 N ATOM 891 CA LYS A 60 -3.636 10.991 1.993 1.00 1.00 C ATOM 892 C LYS A 60 -2.577 9.905 2.136 1.00 1.00 C ATOM 893 O LYS A 60 -2.709 9.001 2.957 1.00 1.00 O ATOM 894 CB LYS A 60 -4.700 10.537 0.982 1.00 1.00 C ATOM 895 CG LYS A 60 -5.641 9.507 1.633 1.00 1.00 C ATOM 896 CD LYS A 60 -6.775 10.226 2.376 1.00 1.00 C ATOM 897 CE LYS A 60 -7.723 9.192 2.980 1.00 1.00 C ATOM 898 NZ LYS A 60 -8.811 9.898 3.711 1.00 1.00 N ATOM 0 H LYS A 60 -3.009 12.376 0.546 1.00 1.00 H new ATOM 0 HA LYS A 60 -4.105 11.158 2.962 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -5.273 11.397 0.635 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -4.219 10.100 0.107 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -6.056 8.848 0.870 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -5.082 8.879 2.327 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -6.365 10.861 3.161 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -7.318 10.877 1.691 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -8.144 8.563 2.195 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -7.179 8.534 3.658 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -9.461 9.200 4.125 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -8.400 10.480 4.468 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -9.334 10.508 3.051 1.00 1.00 H new ATOM 912 N ALA A 61 -1.532 9.997 1.320 1.00 1.00 N ATOM 913 CA ALA A 61 -0.449 9.011 1.344 1.00 1.00 C ATOM 914 C ALA A 61 0.821 9.624 1.911 1.00 1.00 C ATOM 915 O ALA A 61 1.891 9.503 1.323 1.00 1.00 O ATOM 916 CB ALA A 61 -0.180 8.502 -0.073 1.00 1.00 C ATOM 0 H ALA A 61 -1.409 10.742 0.634 1.00 1.00 H new ATOM 0 HA ALA A 61 -0.753 8.180 1.981 1.00 1.00 H new ATOM 0 HB1 ALA A 61 0.626 7.769 -0.049 1.00 1.00 H new ATOM 0 HB2 ALA A 61 -1.082 8.036 -0.470 1.00 1.00 H new ATOM 0 HB3 ALA A 61 0.108 9.337 -0.711 1.00 1.00 H new ATOM 922 N GLN A 62 0.698 10.288 3.058 1.00 1.00 N ATOM 923 CA GLN A 62 1.850 10.922 3.711 1.00 1.00 C ATOM 924 C GLN A 62 2.096 10.311 5.088 1.00 1.00 C ATOM 925 O GLN A 62 3.239 10.173 5.521 1.00 1.00 O ATOM 926 CB GLN A 62 1.606 12.425 3.856 1.00 1.00 C ATOM 927 CG GLN A 62 0.353 12.661 4.697 1.00 1.00 C ATOM 928 CD GLN A 62 0.038 14.150 4.751 1.00 1.00 C ATOM 929 OE1 GLN A 62 0.633 14.938 4.016 1.00 1.00 O ATOM 930 NE2 GLN A 62 -0.864 14.589 5.585 1.00 1.00 N ATOM 0 H GLN A 62 -0.184 10.403 3.557 1.00 1.00 H new ATOM 0 HA GLN A 62 2.730 10.753 3.090 1.00 1.00 H new ATOM 0 HB2 GLN A 62 2.467 12.900 4.326 1.00 1.00 H new ATOM 0 HB3 GLN A 62 1.488 12.881 2.873 1.00 1.00 H new ATOM 0 HG2 GLN A 62 -0.490 12.117 4.270 1.00 1.00 H new ATOM 0 HG3 GLN A 62 0.503 12.275 5.705 1.00 1.00 H new ATOM 0 HE21 GLN A 62 -1.357 13.936 6.194 1.00 1.00 H new ATOM 0 HE22 GLN A 62 -1.077 15.586 5.628 1.00 1.00 H new ATOM 939 N ASP A 63 1.010 9.956 5.780 1.00 1.00 N ATOM 940 CA ASP A 63 1.110 9.372 7.122 1.00 1.00 C ATOM 941 C ASP A 63 0.151 8.193 7.286 1.00 1.00 C ATOM 942 O ASP A 63 -0.629 8.145 8.237 1.00 1.00 O ATOM 943 CB ASP A 63 0.790 10.438 8.172 1.00 1.00 C ATOM 944 CG ASP A 63 1.042 9.883 9.569 1.00 1.00 C ATOM 945 OD1 ASP A 63 2.175 9.522 9.846 1.00 1.00 O ATOM 946 OD2 ASP A 63 0.099 9.823 10.340 1.00 1.00 O ATOM 0 H ASP A 63 0.056 10.062 5.436 1.00 1.00 H new ATOM 0 HA ASP A 63 2.128 9.008 7.259 1.00 1.00 H new ATOM 0 HB2 ASP A 63 1.407 11.321 8.006 1.00 1.00 H new ATOM 0 HB3 ASP A 63 -0.249 10.753 8.078 1.00 1.00 H new ATOM 951 N ILE A 64 0.225 7.242 6.361 1.00 1.00 N ATOM 952 CA ILE A 64 -0.629 6.055 6.415 1.00 1.00 C ATOM 953 C ILE A 64 0.040 4.962 7.231 1.00 1.00 C ATOM 954 O ILE A 64 1.174 4.565 6.961 1.00 1.00 O ATOM 955 CB ILE A 64 -0.907 5.551 4.997 1.00 1.00 C ATOM 956 CG1 ILE A 64 -1.673 6.627 4.201 1.00 1.00 C ATOM 957 CG2 ILE A 64 -1.715 4.251 5.053 1.00 1.00 C ATOM 958 CD1 ILE A 64 -3.038 6.949 4.846 1.00 1.00 C ATOM 0 H ILE A 64 0.864 7.267 5.567 1.00 1.00 H new ATOM 0 HA ILE A 64 -1.572 6.321 6.892 1.00 1.00 H new ATOM 0 HB ILE A 64 0.040 5.351 4.495 1.00 1.00 H new ATOM 0 HG12 ILE A 64 -1.073 7.535 4.146 1.00 1.00 H new ATOM 0 HG13 ILE A 64 -1.826 6.283 3.178 1.00 1.00 H new ATOM 0 HG21 ILE A 64 -1.909 3.899 4.040 1.00 1.00 H new ATOM 0 HG22 ILE A 64 -1.150 3.495 5.598 1.00 1.00 H new ATOM 0 HG23 ILE A 64 -2.662 4.433 5.561 1.00 1.00 H new ATOM 0 HD11 ILE A 64 -3.548 7.711 4.257 1.00 1.00 H new ATOM 0 HD12 ILE A 64 -3.648 6.046 4.877 1.00 1.00 H new ATOM 0 HD13 ILE A 64 -2.883 7.317 5.860 1.00 1.00 H new ATOM 970 N SER A 65 -0.689 4.470 8.220 1.00 1.00 N ATOM 971 CA SER A 65 -0.195 3.409 9.076 1.00 1.00 C ATOM 972 C SER A 65 0.167 2.202 8.224 1.00 1.00 C ATOM 973 O SER A 65 0.227 2.297 6.998 1.00 1.00 O ATOM 974 CB SER A 65 -1.248 3.040 10.117 1.00 1.00 C ATOM 975 OG SER A 65 -1.210 3.979 11.182 1.00 1.00 O ATOM 0 H SER A 65 -1.629 4.792 8.449 1.00 1.00 H new ATOM 0 HA SER A 65 0.696 3.750 9.602 1.00 1.00 H new ATOM 0 HB2 SER A 65 -2.238 3.031 9.661 1.00 1.00 H new ATOM 0 HB3 SER A 65 -1.063 2.035 10.497 1.00 1.00 H new ATOM 0 HG SER A 65 -2.108 4.341 11.331 1.00 1.00 H new ATOM 981 N THR A 66 0.428 1.083 8.883 1.00 1.00 N ATOM 982 CA THR A 66 0.797 -0.141 8.190 1.00 1.00 C ATOM 983 C THR A 66 -0.149 -0.416 7.026 1.00 1.00 C ATOM 984 O THR A 66 -1.006 0.400 6.694 1.00 1.00 O ATOM 985 CB THR A 66 0.757 -1.327 9.162 1.00 1.00 C ATOM 986 OG1 THR A 66 0.916 -2.538 8.439 1.00 1.00 O ATOM 987 CG2 THR A 66 -0.577 -1.360 9.912 1.00 1.00 C ATOM 0 H THR A 66 0.391 0.998 9.899 1.00 1.00 H new ATOM 0 HA THR A 66 1.807 -0.016 7.801 1.00 1.00 H new ATOM 0 HB THR A 66 1.567 -1.215 9.883 1.00 1.00 H new ATOM 0 HG1 THR A 66 0.103 -3.078 8.523 1.00 1.00 H new ATOM 0 HG21 THR A 66 -0.588 -2.208 10.597 1.00 1.00 H new ATOM 0 HG22 THR A 66 -0.700 -0.436 10.476 1.00 1.00 H new ATOM 0 HG23 THR A 66 -1.394 -1.460 9.197 1.00 1.00 H new ATOM 995 N ILE A 67 0.007 -1.578 6.414 1.00 1.00 N ATOM 996 CA ILE A 67 -0.837 -1.950 5.291 1.00 1.00 C ATOM 997 C ILE A 67 -2.301 -2.010 5.717 1.00 1.00 C ATOM 998 O ILE A 67 -3.184 -1.553 4.990 1.00 1.00 O ATOM 999 CB ILE A 67 -0.396 -3.306 4.741 1.00 1.00 C ATOM 1000 CG1 ILE A 67 0.974 -3.166 4.068 1.00 1.00 C ATOM 1001 CG2 ILE A 67 -1.416 -3.821 3.727 1.00 1.00 C ATOM 1002 CD1 ILE A 67 1.562 -4.557 3.820 1.00 1.00 C ATOM 0 H ILE A 67 0.705 -2.275 6.673 1.00 1.00 H new ATOM 0 HA ILE A 67 -0.736 -1.195 4.512 1.00 1.00 H new ATOM 0 HB ILE A 67 -0.327 -4.017 5.564 1.00 1.00 H new ATOM 0 HG12 ILE A 67 0.875 -2.627 3.126 1.00 1.00 H new ATOM 0 HG13 ILE A 67 1.644 -2.583 4.700 1.00 1.00 H new ATOM 0 HG21 ILE A 67 -1.091 -4.788 3.342 1.00 1.00 H new ATOM 0 HG22 ILE A 67 -2.386 -3.931 4.211 1.00 1.00 H new ATOM 0 HG23 ILE A 67 -1.500 -3.112 2.903 1.00 1.00 H new ATOM 0 HD11 ILE A 67 2.536 -4.460 3.341 1.00 1.00 H new ATOM 0 HD12 ILE A 67 1.675 -5.079 4.770 1.00 1.00 H new ATOM 0 HD13 ILE A 67 0.894 -5.124 3.172 1.00 1.00 H new ATOM 1014 N GLN A 68 -2.558 -2.582 6.887 1.00 1.00 N ATOM 1015 CA GLN A 68 -3.929 -2.699 7.381 1.00 1.00 C ATOM 1016 C GLN A 68 -4.725 -1.420 7.122 1.00 1.00 C ATOM 1017 O GLN A 68 -5.786 -1.459 6.498 1.00 1.00 O ATOM 1018 CB GLN A 68 -3.918 -2.997 8.885 1.00 1.00 C ATOM 1019 CG GLN A 68 -3.512 -4.454 9.123 1.00 1.00 C ATOM 1020 CD GLN A 68 -4.702 -5.374 8.854 1.00 1.00 C ATOM 1021 OE1 GLN A 68 -5.596 -5.485 9.692 1.00 1.00 O ATOM 1022 NE2 GLN A 68 -4.781 -6.021 7.725 1.00 1.00 N ATOM 0 H GLN A 68 -1.846 -2.969 7.507 1.00 1.00 H new ATOM 0 HA GLN A 68 -4.409 -3.517 6.845 1.00 1.00 H new ATOM 0 HB2 GLN A 68 -3.222 -2.329 9.392 1.00 1.00 H new ATOM 0 HB3 GLN A 68 -4.905 -2.811 9.309 1.00 1.00 H new ATOM 0 HG2 GLN A 68 -2.680 -4.720 8.471 1.00 1.00 H new ATOM 0 HG3 GLN A 68 -3.166 -4.582 10.149 1.00 1.00 H new ATOM 0 HE21 GLN A 68 -4.039 -5.928 7.031 1.00 1.00 H new ATOM 0 HE22 GLN A 68 -5.585 -6.620 7.536 1.00 1.00 H new ATOM 1031 N GLN A 69 -4.221 -0.291 7.608 1.00 1.00 N ATOM 1032 CA GLN A 69 -4.910 0.972 7.425 1.00 1.00 C ATOM 1033 C GLN A 69 -4.948 1.364 5.952 1.00 1.00 C ATOM 1034 O GLN A 69 -5.949 1.891 5.467 1.00 1.00 O ATOM 1035 CB GLN A 69 -4.193 2.057 8.229 1.00 1.00 C ATOM 1036 CG GLN A 69 -5.148 3.215 8.484 1.00 1.00 C ATOM 1037 CD GLN A 69 -4.450 4.316 9.273 1.00 1.00 C ATOM 1038 OE1 GLN A 69 -4.135 4.135 10.448 1.00 1.00 O ATOM 1039 NE2 GLN A 69 -4.180 5.451 8.690 1.00 1.00 N ATOM 0 H GLN A 69 -3.345 -0.229 8.127 1.00 1.00 H new ATOM 0 HA GLN A 69 -5.936 0.865 7.776 1.00 1.00 H new ATOM 0 HB2 GLN A 69 -3.839 1.649 9.176 1.00 1.00 H new ATOM 0 HB3 GLN A 69 -3.316 2.408 7.685 1.00 1.00 H new ATOM 0 HG2 GLN A 69 -5.510 3.612 7.535 1.00 1.00 H new ATOM 0 HG3 GLN A 69 -6.020 2.861 9.034 1.00 1.00 H new ATOM 0 HE21 GLN A 69 -4.442 5.599 7.715 1.00 1.00 H new ATOM 0 HE22 GLN A 69 -3.707 6.191 9.209 1.00 1.00 H new ATOM 1048 N ALA A 70 -3.852 1.114 5.251 1.00 1.00 N ATOM 1049 CA ALA A 70 -3.776 1.462 3.839 1.00 1.00 C ATOM 1050 C ALA A 70 -4.889 0.778 3.058 1.00 1.00 C ATOM 1051 O ALA A 70 -5.502 1.381 2.177 1.00 1.00 O ATOM 1052 CB ALA A 70 -2.425 1.046 3.270 1.00 1.00 C ATOM 0 H ALA A 70 -3.012 0.677 5.630 1.00 1.00 H new ATOM 0 HA ALA A 70 -3.892 2.542 3.746 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -2.378 1.311 2.214 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -1.629 1.561 3.809 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -2.300 -0.031 3.380 1.00 1.00 H new ATOM 1058 N ALA A 71 -5.146 -0.478 3.386 1.00 1.00 N ATOM 1059 CA ALA A 71 -6.189 -1.231 2.709 1.00 1.00 C ATOM 1060 C ALA A 71 -7.552 -0.586 2.937 1.00 1.00 C ATOM 1061 O ALA A 71 -8.353 -0.465 2.012 1.00 1.00 O ATOM 1062 CB ALA A 71 -6.214 -2.658 3.242 1.00 1.00 C ATOM 0 H ALA A 71 -4.650 -0.995 4.112 1.00 1.00 H new ATOM 0 HA ALA A 71 -5.976 -1.236 1.640 1.00 1.00 H new ATOM 0 HB1 ALA A 71 -6.996 -3.222 2.734 1.00 1.00 H new ATOM 0 HB2 ALA A 71 -5.249 -3.131 3.060 1.00 1.00 H new ATOM 0 HB3 ALA A 71 -6.415 -2.643 4.313 1.00 1.00 H new ATOM 1068 N ASP A 72 -7.813 -0.189 4.177 1.00 1.00 N ATOM 1069 CA ASP A 72 -9.087 0.434 4.514 1.00 1.00 C ATOM 1070 C ASP A 72 -9.240 1.767 3.781 1.00 1.00 C ATOM 1071 O ASP A 72 -10.325 2.108 3.314 1.00 1.00 O ATOM 1072 CB ASP A 72 -9.172 0.658 6.035 1.00 1.00 C ATOM 1073 CG ASP A 72 -9.669 -0.598 6.747 1.00 1.00 C ATOM 1074 OD1 ASP A 72 -10.548 -1.254 6.210 1.00 1.00 O ATOM 1075 OD2 ASP A 72 -9.165 -0.886 7.819 1.00 1.00 O ATOM 0 H ASP A 72 -7.166 -0.286 4.959 1.00 1.00 H new ATOM 0 HA ASP A 72 -9.894 -0.229 4.203 1.00 1.00 H new ATOM 0 HB2 ASP A 72 -8.191 0.935 6.421 1.00 1.00 H new ATOM 0 HB3 ASP A 72 -9.844 1.490 6.247 1.00 1.00 H new ATOM 1080 N VAL A 73 -8.144 2.517 3.689 1.00 1.00 N ATOM 1081 CA VAL A 73 -8.174 3.810 3.017 1.00 1.00 C ATOM 1082 C VAL A 73 -8.529 3.635 1.540 1.00 1.00 C ATOM 1083 O VAL A 73 -9.352 4.373 0.999 1.00 1.00 O ATOM 1084 CB VAL A 73 -6.813 4.500 3.153 1.00 1.00 C ATOM 1085 CG1 VAL A 73 -6.786 5.758 2.286 1.00 1.00 C ATOM 1086 CG2 VAL A 73 -6.578 4.893 4.614 1.00 1.00 C ATOM 0 H VAL A 73 -7.234 2.254 4.067 1.00 1.00 H new ATOM 0 HA VAL A 73 -8.937 4.431 3.486 1.00 1.00 H new ATOM 0 HB VAL A 73 -6.031 3.814 2.828 1.00 1.00 H new ATOM 0 HG11 VAL A 73 -5.817 6.247 2.384 1.00 1.00 H new ATOM 0 HG12 VAL A 73 -6.950 5.485 1.244 1.00 1.00 H new ATOM 0 HG13 VAL A 73 -7.571 6.441 2.611 1.00 1.00 H new ATOM 0 HG21 VAL A 73 -5.609 5.384 4.707 1.00 1.00 H new ATOM 0 HG22 VAL A 73 -7.363 5.576 4.938 1.00 1.00 H new ATOM 0 HG23 VAL A 73 -6.594 4.000 5.238 1.00 1.00 H new ATOM 1096 N ILE A 74 -7.914 2.645 0.899 1.00 1.00 N ATOM 1097 CA ILE A 74 -8.182 2.373 -0.509 1.00 1.00 C ATOM 1098 C ILE A 74 -9.641 1.988 -0.708 1.00 1.00 C ATOM 1099 O ILE A 74 -10.291 2.443 -1.648 1.00 1.00 O ATOM 1100 CB ILE A 74 -7.264 1.245 -1.002 1.00 1.00 C ATOM 1101 CG1 ILE A 74 -5.822 1.767 -1.111 1.00 1.00 C ATOM 1102 CG2 ILE A 74 -7.729 0.733 -2.370 1.00 1.00 C ATOM 1103 CD1 ILE A 74 -4.838 0.595 -1.109 1.00 1.00 C ATOM 0 H ILE A 74 -7.231 2.022 1.329 1.00 1.00 H new ATOM 0 HA ILE A 74 -7.983 3.275 -1.087 1.00 1.00 H new ATOM 0 HB ILE A 74 -7.305 0.422 -0.288 1.00 1.00 H new ATOM 0 HG12 ILE A 74 -5.705 2.348 -2.026 1.00 1.00 H new ATOM 0 HG13 ILE A 74 -5.605 2.436 -0.278 1.00 1.00 H new ATOM 0 HG21 ILE A 74 -7.067 -0.066 -2.704 1.00 1.00 H new ATOM 0 HG22 ILE A 74 -8.747 0.351 -2.289 1.00 1.00 H new ATOM 0 HG23 ILE A 74 -7.705 1.550 -3.092 1.00 1.00 H new ATOM 0 HD11 ILE A 74 -3.819 0.975 -1.187 1.00 1.00 H new ATOM 0 HD12 ILE A 74 -4.945 0.031 -0.182 1.00 1.00 H new ATOM 0 HD13 ILE A 74 -5.047 -0.057 -1.957 1.00 1.00 H new ATOM 1115 N GLU A 75 -10.154 1.148 0.180 1.00 1.00 N ATOM 1116 CA GLU A 75 -11.540 0.720 0.080 1.00 1.00 C ATOM 1117 C GLU A 75 -12.463 1.924 -0.040 1.00 1.00 C ATOM 1118 O GLU A 75 -13.440 1.890 -0.784 1.00 1.00 O ATOM 1119 CB GLU A 75 -11.923 -0.116 1.305 1.00 1.00 C ATOM 1120 CG GLU A 75 -11.332 -1.517 1.169 1.00 1.00 C ATOM 1121 CD GLU A 75 -11.684 -2.341 2.397 1.00 1.00 C ATOM 1122 OE1 GLU A 75 -12.299 -1.793 3.298 1.00 1.00 O ATOM 1123 OE2 GLU A 75 -11.332 -3.503 2.421 1.00 1.00 O ATOM 0 H GLU A 75 -9.639 0.754 0.967 1.00 1.00 H new ATOM 0 HA GLU A 75 -11.650 0.108 -0.815 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -11.553 0.360 2.213 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -13.008 -0.174 1.394 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -11.719 -2.000 0.272 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -10.249 -1.457 1.057 1.00 1.00 H new ATOM 1130 N GLY A 76 -12.143 2.986 0.687 1.00 1.00 N ATOM 1131 CA GLY A 76 -12.948 4.202 0.647 1.00 1.00 C ATOM 1132 C GLY A 76 -12.880 4.867 -0.725 1.00 1.00 C ATOM 1133 O GLY A 76 -13.850 5.468 -1.181 1.00 1.00 O ATOM 0 H GLY A 76 -11.336 3.032 1.309 1.00 1.00 H new ATOM 0 HA2 GLY A 76 -13.984 3.963 0.887 1.00 1.00 H new ATOM 0 HA3 GLY A 76 -12.597 4.898 1.409 1.00 1.00 H new ATOM 1137 N LEU A 77 -11.720 4.765 -1.369 1.00 1.00 N ATOM 1138 CA LEU A 77 -11.515 5.376 -2.682 1.00 1.00 C ATOM 1139 C LEU A 77 -12.085 4.507 -3.794 1.00 1.00 C ATOM 1140 O LEU A 77 -12.164 4.926 -4.948 1.00 1.00 O ATOM 1141 CB LEU A 77 -10.016 5.595 -2.905 1.00 1.00 C ATOM 1142 CG LEU A 77 -9.499 6.672 -1.944 1.00 1.00 C ATOM 1143 CD1 LEU A 77 -7.970 6.638 -1.928 1.00 1.00 C ATOM 1144 CD2 LEU A 77 -9.965 8.068 -2.400 1.00 1.00 C ATOM 0 H LEU A 77 -10.908 4.266 -1.005 1.00 1.00 H new ATOM 0 HA LEU A 77 -12.039 6.331 -2.706 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -9.475 4.662 -2.745 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -9.833 5.897 -3.936 1.00 1.00 H new ATOM 0 HG LEU A 77 -9.892 6.474 -0.947 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -7.596 7.402 -1.246 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -7.631 5.657 -1.595 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -7.591 6.831 -2.932 1.00 1.00 H new ATOM 0 HD21 LEU A 77 -9.590 8.821 -1.707 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -9.581 8.271 -3.400 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -11.054 8.101 -2.416 1.00 1.00 H new ATOM 1156 N LEU A 78 -12.491 3.299 -3.439 1.00 1.00 N ATOM 1157 CA LEU A 78 -13.069 2.372 -4.404 1.00 1.00 C ATOM 1158 C LEU A 78 -14.595 2.464 -4.407 1.00 1.00 C ATOM 1159 O LEU A 78 -15.260 1.879 -5.259 1.00 1.00 O ATOM 1160 CB LEU A 78 -12.635 0.942 -4.058 1.00 1.00 C ATOM 1161 CG LEU A 78 -11.206 0.657 -4.563 1.00 1.00 C ATOM 1162 CD1 LEU A 78 -10.671 -0.619 -3.905 1.00 1.00 C ATOM 1163 CD2 LEU A 78 -11.198 0.465 -6.093 1.00 1.00 C ATOM 0 H LEU A 78 -12.432 2.935 -2.488 1.00 1.00 H new ATOM 0 HA LEU A 78 -12.711 2.637 -5.399 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -12.678 0.797 -2.979 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -13.330 0.230 -4.503 1.00 1.00 H new ATOM 0 HG LEU A 78 -10.576 1.508 -4.304 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -9.661 -0.818 -4.264 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -10.653 -0.490 -2.823 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -11.318 -1.458 -4.159 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -10.181 0.265 -6.429 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -11.839 -0.376 -6.358 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -11.568 1.370 -6.575 1.00 1.00 H new ATOM 1175 N GLU A 79 -15.143 3.177 -3.433 1.00 1.00 N ATOM 1176 CA GLU A 79 -16.589 3.307 -3.325 1.00 1.00 C ATOM 1177 C GLU A 79 -17.158 4.101 -4.480 1.00 1.00 C ATOM 1178 O GLU A 79 -17.978 3.608 -5.255 1.00 1.00 O ATOM 1179 CB GLU A 79 -16.944 4.014 -2.024 1.00 1.00 C ATOM 1180 CG GLU A 79 -16.244 3.310 -0.871 1.00 1.00 C ATOM 1181 CD GLU A 79 -16.639 3.945 0.456 1.00 1.00 C ATOM 1182 OE1 GLU A 79 -17.398 4.899 0.431 1.00 1.00 O ATOM 1183 OE2 GLU A 79 -16.184 3.463 1.482 1.00 1.00 O ATOM 0 H GLU A 79 -14.615 3.670 -2.713 1.00 1.00 H new ATOM 0 HA GLU A 79 -17.017 2.305 -3.344 1.00 1.00 H new ATOM 0 HB2 GLU A 79 -16.638 5.059 -2.068 1.00 1.00 H new ATOM 0 HB3 GLU A 79 -18.023 4.003 -1.872 1.00 1.00 H new ATOM 0 HG2 GLU A 79 -16.508 2.252 -0.868 1.00 1.00 H new ATOM 0 HG3 GLU A 79 -15.164 3.369 -1.002 1.00 1.00 H new ATOM 1190 N LYS A 80 -16.713 5.336 -4.583 1.00 1.00 N ATOM 1191 CA LYS A 80 -17.176 6.227 -5.645 1.00 1.00 C ATOM 1192 C LYS A 80 -16.378 6.025 -6.918 1.00 1.00 C ATOM 1193 O LYS A 80 -16.925 6.047 -8.020 1.00 1.00 O ATOM 1194 CB LYS A 80 -17.092 7.691 -5.210 1.00 1.00 C ATOM 1195 CG LYS A 80 -15.646 8.093 -4.905 1.00 1.00 C ATOM 1196 CD LYS A 80 -15.109 7.319 -3.692 1.00 1.00 C ATOM 1197 CE LYS A 80 -14.082 8.158 -2.951 1.00 1.00 C ATOM 1198 NZ LYS A 80 -14.689 9.463 -2.566 1.00 1.00 N ATOM 0 H LYS A 80 -16.032 5.752 -3.948 1.00 1.00 H new ATOM 0 HA LYS A 80 -18.218 5.978 -5.844 1.00 1.00 H new ATOM 0 HB2 LYS A 80 -17.493 8.331 -5.996 1.00 1.00 H new ATOM 0 HB3 LYS A 80 -17.710 7.847 -4.326 1.00 1.00 H new ATOM 0 HG2 LYS A 80 -15.018 7.897 -5.774 1.00 1.00 H new ATOM 0 HG3 LYS A 80 -15.595 9.164 -4.710 1.00 1.00 H new ATOM 0 HD2 LYS A 80 -15.930 7.061 -3.023 1.00 1.00 H new ATOM 0 HD3 LYS A 80 -14.657 6.382 -4.019 1.00 1.00 H new ATOM 0 HE2 LYS A 80 -13.738 7.629 -2.062 1.00 1.00 H new ATOM 0 HE3 LYS A 80 -13.209 8.323 -3.582 1.00 1.00 H new ATOM 0 HZ1 LYS A 80 -14.295 9.774 -1.655 1.00 1.00 H new ATOM 0 HZ2 LYS A 80 -14.476 10.173 -3.295 1.00 1.00 H new ATOM 0 HZ3 LYS A 80 -15.720 9.354 -2.479 1.00 1.00 H new ATOM 1212 N LYS A 81 -15.071 5.842 -6.756 1.00 1.00 N ATOM 1213 CA LYS A 81 -14.179 5.646 -7.895 1.00 1.00 C ATOM 1214 C LYS A 81 -13.679 4.210 -7.937 1.00 1.00 C ATOM 1215 O LYS A 81 -12.666 3.885 -7.335 1.00 1.00 O ATOM 1216 CB LYS A 81 -12.995 6.609 -7.800 1.00 1.00 C ATOM 1217 CG LYS A 81 -12.158 6.510 -9.079 1.00 1.00 C ATOM 1218 CD LYS A 81 -11.067 7.582 -9.068 1.00 1.00 C ATOM 1219 CE LYS A 81 -10.247 7.484 -10.358 1.00 1.00 C ATOM 1220 NZ LYS A 81 -9.217 8.560 -10.376 1.00 1.00 N ATOM 0 H LYS A 81 -14.606 5.825 -5.848 1.00 1.00 H new ATOM 0 HA LYS A 81 -14.733 5.849 -8.812 1.00 1.00 H new ATOM 0 HB2 LYS A 81 -13.352 7.630 -7.663 1.00 1.00 H new ATOM 0 HB3 LYS A 81 -12.383 6.366 -6.931 1.00 1.00 H new ATOM 0 HG2 LYS A 81 -11.708 5.520 -9.154 1.00 1.00 H new ATOM 0 HG3 LYS A 81 -12.797 6.637 -9.953 1.00 1.00 H new ATOM 0 HD2 LYS A 81 -11.515 8.572 -8.983 1.00 1.00 H new ATOM 0 HD3 LYS A 81 -10.420 7.449 -8.201 1.00 1.00 H new ATOM 0 HE2 LYS A 81 -9.768 6.507 -10.424 1.00 1.00 H new ATOM 0 HE3 LYS A 81 -10.901 7.578 -11.225 1.00 1.00 H new ATOM 0 HZ1 LYS A 81 -8.872 8.694 -11.348 1.00 1.00 H new ATOM 0 HZ2 LYS A 81 -9.636 9.448 -10.032 1.00 1.00 H new ATOM 0 HZ3 LYS A 81 -8.423 8.291 -9.761 1.00 1.00 H new ATOM 1234 N ALA A 82 -14.402 3.355 -8.649 1.00 1.00 N ATOM 1235 CA ALA A 82 -14.020 1.950 -8.760 1.00 1.00 C ATOM 1236 C ALA A 82 -12.928 1.775 -9.811 1.00 1.00 C ATOM 1237 O ALA A 82 -13.184 1.105 -10.797 1.00 1.00 O ATOM 1238 CB ALA A 82 -15.238 1.106 -9.141 1.00 1.00 C ATOM 1239 OXT ALA A 82 -11.851 2.316 -9.613 1.00 1.00 O ATOM 0 H ALA A 82 -15.251 3.606 -9.156 1.00 1.00 H new ATOM 0 HA ALA A 82 -13.637 1.619 -7.795 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -14.945 0.059 -9.222 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -16.006 1.209 -8.375 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -15.632 1.447 -10.098 1.00 1.00 H new TER 1245 ALA A 82 HETATM 1246 O23 PNS A 101 13.989 7.110 1.591 1.00 1.00 O HETATM 1247 P24 PNS A 101 15.346 7.314 0.748 1.00 1.00 P HETATM 1248 O25 PNS A 101 15.195 6.614 -0.547 1.00 1.00 O HETATM 1249 O26 PNS A 101 15.693 8.752 0.772 1.00 1.00 O HETATM 1250 O27 PNS A 101 16.431 6.518 1.631 1.00 1.00 O HETATM 1251 C28 PNS A 101 17.376 5.655 1.011 1.00 1.00 C HETATM 1252 C29 PNS A 101 17.913 4.665 2.051 1.00 1.00 C HETATM 1253 C30 PNS A 101 18.514 5.425 3.231 1.00 1.00 C HETATM 1254 C31 PNS A 101 18.982 3.782 1.392 1.00 1.00 C HETATM 1255 C32 PNS A 101 16.776 3.798 2.579 1.00 1.00 C HETATM 1256 O33 PNS A 101 16.235 3.065 1.494 1.00 1.00 O HETATM 1257 C34 PNS A 101 17.293 2.832 3.642 1.00 1.00 C HETATM 1258 O35 PNS A 101 17.305 3.150 4.832 1.00 1.00 O HETATM 1259 N36 PNS A 101 17.721 1.654 3.204 1.00 1.00 N HETATM 1260 C37 PNS A 101 18.239 0.648 4.125 1.00 1.00 C HETATM 1261 C38 PNS A 101 17.086 -0.068 4.832 1.00 1.00 C HETATM 1262 C39 PNS A 101 16.127 -0.655 3.801 1.00 1.00 C HETATM 1263 O40 PNS A 101 14.917 -0.702 4.020 1.00 1.00 O HETATM 1264 N41 PNS A 101 16.677 -1.101 2.676 1.00 1.00 N HETATM 1265 C42 PNS A 101 15.864 -1.684 1.616 1.00 1.00 C HETATM 1266 C43 PNS A 101 15.173 -0.579 0.812 1.00 1.00 C HETATM 1267 S44 PNS A 101 13.647 -0.121 1.625 1.00 1.00 S HETATM 0 H432 PNS A 101 15.828 0.288 0.727 1.00 1.00 H new HETATM 0 H431 PNS A 101 14.969 -0.924 -0.201 1.00 1.00 H new HETATM 0 H422 PNS A 101 15.118 -2.352 2.046 1.00 1.00 H new HETATM 0 H421 PNS A 101 16.490 -2.286 0.957 1.00 1.00 H new HETATM 0 H382 PNS A 101 16.555 0.630 5.479 1.00 1.00 H new HETATM 0 H381 PNS A 101 17.476 -0.860 5.471 1.00 1.00 H new HETATM 0 H372 PNS A 101 18.889 1.120 4.862 1.00 1.00 H new HETATM 0 H371 PNS A 101 18.846 -0.075 3.580 1.00 1.00 H new HETATM 0 H313 PNS A 101 19.371 3.074 2.124 1.00 1.00 H new HETATM 0 H312 PNS A 101 19.796 4.408 1.025 1.00 1.00 H new HETATM 0 H311 PNS A 101 18.540 3.236 0.558 1.00 1.00 H new HETATM 0 H303 PNS A 101 18.893 4.715 3.966 1.00 1.00 H new HETATM 0 H302 PNS A 101 17.747 6.048 3.691 1.00 1.00 H new HETATM 0 H301 PNS A 101 19.331 6.055 2.880 1.00 1.00 H new HETATM 0 H282 PNS A 101 18.195 6.237 0.588 1.00 1.00 H new HETATM 0 H281 PNS A 101 16.909 5.117 0.186 1.00 1.00 H new HETATM 0 H41 PNS A 101 17.687 -1.034 2.552 1.00 1.00 H new HETATM 0 H36 PNS A 101 17.687 1.449 2.205 1.00 1.00 H new HETATM 0 H33 PNS A 101 15.261 3.173 1.479 1.00 1.00 H new HETATM 0 H32 PNS A 101 16.012 4.430 3.031 1.00 1.00 H new HETATM 1288 C1 STE A 102 13.179 1.545 1.468 1.00 1.00 C HETATM 1289 O1 STE A 102 13.827 2.362 0.855 1.00 1.00 O HETATM 1290 C2 STE A 102 11.893 1.827 2.185 1.00 1.00 C HETATM 1291 C3 STE A 102 11.658 3.338 2.261 1.00 1.00 C HETATM 1292 C4 STE A 102 10.602 3.637 3.326 1.00 1.00 C HETATM 1293 C5 STE A 102 9.336 2.820 3.040 1.00 1.00 C HETATM 1294 C6 STE A 102 8.143 3.411 3.817 1.00 1.00 C HETATM 1295 C7 STE A 102 7.483 4.536 2.994 1.00 1.00 C HETATM 1296 C8 STE A 102 6.459 3.940 2.008 1.00 1.00 C HETATM 1297 C9 STE A 102 5.100 3.798 2.696 1.00 1.00 C HETATM 1298 C10 STE A 102 4.082 3.253 1.698 1.00 1.00 C HETATM 1299 C11 STE A 102 2.677 3.378 2.286 1.00 1.00 C HETATM 1300 C12 STE A 102 1.646 3.157 1.186 1.00 1.00 C HETATM 1301 C13 STE A 102 0.255 3.475 1.730 1.00 1.00 C HETATM 1302 C14 STE A 102 -0.786 3.288 0.618 1.00 1.00 C HETATM 1303 C15 STE A 102 -2.051 4.083 0.945 1.00 1.00 C HETATM 1304 C16 STE A 102 -3.004 4.047 -0.251 1.00 1.00 C HETATM 1305 C17 STE A 102 -4.322 4.728 0.131 1.00 1.00 C HETATM 1306 C18 STE A 102 -4.064 6.174 0.587 1.00 1.00 C HETATM 0 H183 STE A 102 -3.402 6.170 1.453 1.00 1.00 H new HETATM 0 H182 STE A 102 -3.597 6.733 -0.224 1.00 1.00 H new HETATM 0 H181 STE A 102 -5.010 6.645 0.855 1.00 1.00 H new HETATM 0 H172 STE A 102 -5.001 4.724 -0.721 1.00 1.00 H new HETATM 0 H171 STE A 102 -4.810 4.169 0.930 1.00 1.00 H new HETATM 0 H162 STE A 102 -2.554 4.554 -1.105 1.00 1.00 H new HETATM 0 H161 STE A 102 -3.188 3.016 -0.553 1.00 1.00 H new HETATM 0 H152 STE A 102 -2.539 3.663 1.824 1.00 1.00 H new HETATM 0 H151 STE A 102 -1.792 5.114 1.186 1.00 1.00 H new HETATM 0 H142 STE A 102 -0.375 3.619 -0.336 1.00 1.00 H new HETATM 0 H141 STE A 102 -1.029 2.231 0.510 1.00 1.00 H new HETATM 0 H132 STE A 102 0.024 2.822 2.572 1.00 1.00 H new HETATM 0 H131 STE A 102 0.224 4.499 2.103 1.00 1.00 H new HETATM 0 H122 STE A 102 1.869 3.793 0.329 1.00 1.00 H new HETATM 0 H121 STE A 102 1.686 2.126 0.836 1.00 1.00 H new HETATM 0 H112 STE A 102 2.538 2.647 3.082 1.00 1.00 H new HETATM 0 H111 STE A 102 2.544 4.364 2.732 1.00 1.00 H new HETATM 0 H102 STE A 102 4.146 3.804 0.760 1.00 1.00 H new HETATM 0 H101 STE A 102 4.302 2.210 1.471 1.00 1.00 H new HETATM 0 H92 STE A 102 5.181 3.128 3.552 1.00 1.00 H new HETATM 0 H91 STE A 102 4.770 4.764 3.078 1.00 1.00 H new HETATM 0 H82 STE A 102 6.368 4.582 1.132 1.00 1.00 H new HETATM 0 H81 STE A 102 6.802 2.967 1.656 1.00 1.00 H new HETATM 0 H72 STE A 102 6.989 5.243 3.661 1.00 1.00 H new HETATM 0 H71 STE A 102 8.245 5.092 2.447 1.00 1.00 H new HETATM 0 H62 STE A 102 7.414 2.629 4.030 1.00 1.00 H new HETATM 0 H61 STE A 102 8.481 3.802 4.777 1.00 1.00 H new HETATM 0 H52 STE A 102 9.123 2.825 1.971 1.00 1.00 H new HETATM 0 H51 STE A 102 9.490 1.781 3.329 1.00 1.00 H new HETATM 0 H42 STE A 102 10.989 3.392 4.315 1.00 1.00 H new HETATM 0 H41 STE A 102 10.367 4.701 3.330 1.00 1.00 H new HETATM 0 H32 STE A 102 12.589 3.850 2.503 1.00 1.00 H new HETATM 0 H31 STE A 102 11.330 3.715 1.292 1.00 1.00 H new HETATM 0 H22 STE A 102 11.064 1.347 1.665 1.00 1.00 H new HETATM 0 H21 STE A 102 11.926 1.405 3.189 1.00 1.00 H new