USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 574 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 GLN : amide:sc= 0.872 K(o=2.1,f=-6.3!) USER MOD Set 1.2: A 19 THR OG1 : rot -158:sc= 1.18 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0423 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0313) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= -4.34! C(o=-4.3!,f=-13!) USER MOD Single : A 24 LYS NZ :NH3+ -163:sc= -5.38! (180deg=-7.82!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -9:sc= 1.05 USER MOD Single : A 29 GLN : amide:sc= -5.19! C(o=-5.2!,f=-5.4!) USER MOD Single : A 30 LYS NZ :NH3+ -158:sc= 0.783 (180deg=0.13) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0162 USER MOD Single : A 38 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.298) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 152:sc= -0.519 (180deg=-1.55!) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 47 SER OG : rot 160:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0.00904 K(o=0.009,f=-1.2) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 57 ASN : amide:sc= -0.86 X(o=-0.86,f=-0.72) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.266 15.894 8.858 1.00 0.00 N ATOM 2 CA GLY A 1 -18.779 14.672 9.472 1.00 0.00 C ATOM 3 C GLY A 1 -17.597 14.082 8.729 1.00 0.00 C ATOM 4 O GLY A 1 -17.581 14.050 7.498 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.074 16.258 9.403 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.506 16.604 8.849 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.567 15.696 7.882 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.491 14.877 10.503 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.585 13.939 9.506 1.00 0.00 H new ATOM 8 N SER A 2 -16.603 13.614 9.477 1.00 0.00 N ATOM 9 CA SER A 2 -15.408 13.027 8.882 1.00 0.00 C ATOM 10 C SER A 2 -15.769 12.174 7.670 1.00 0.00 C ATOM 11 O SER A 2 -15.197 12.334 6.592 1.00 0.00 O ATOM 12 CB SER A 2 -14.663 12.178 9.914 1.00 0.00 C ATOM 13 OG SER A 2 -15.513 11.192 10.473 1.00 0.00 O ATOM 0 H SER A 2 -16.602 13.630 10.497 1.00 0.00 H new ATOM 0 HA SER A 2 -14.759 13.839 8.554 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.805 11.698 9.443 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.275 12.819 10.705 1.00 0.00 H new ATOM 0 HG SER A 2 -15.013 10.662 11.128 1.00 0.00 H new ATOM 19 N SER A 3 -16.723 11.266 7.855 1.00 0.00 N ATOM 20 CA SER A 3 -17.158 10.384 6.779 1.00 0.00 C ATOM 21 C SER A 3 -16.014 9.487 6.315 1.00 0.00 C ATOM 22 O SER A 3 -15.822 9.276 5.119 1.00 0.00 O ATOM 23 CB SER A 3 -17.688 11.205 5.601 1.00 0.00 C ATOM 24 OG SER A 3 -18.689 10.494 4.894 1.00 0.00 O ATOM 0 H SER A 3 -17.209 11.123 8.740 1.00 0.00 H new ATOM 0 HA SER A 3 -17.959 9.752 7.162 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.096 12.148 5.965 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.868 11.451 4.927 1.00 0.00 H new ATOM 0 HG SER A 3 -19.013 11.040 4.147 1.00 0.00 H new ATOM 30 N GLY A 4 -15.257 8.962 7.273 1.00 0.00 N ATOM 31 CA GLY A 4 -14.141 8.094 6.944 1.00 0.00 C ATOM 32 C GLY A 4 -13.396 8.552 5.706 1.00 0.00 C ATOM 33 O GLY A 4 -13.405 9.736 5.370 1.00 0.00 O ATOM 0 H GLY A 4 -15.396 9.122 8.271 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.451 8.059 7.787 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.507 7.079 6.789 1.00 0.00 H new ATOM 37 N SER A 5 -12.748 7.611 5.026 1.00 0.00 N ATOM 38 CA SER A 5 -11.990 7.925 3.821 1.00 0.00 C ATOM 39 C SER A 5 -11.699 6.661 3.017 1.00 0.00 C ATOM 40 O SER A 5 -11.700 5.555 3.558 1.00 0.00 O ATOM 41 CB SER A 5 -10.678 8.624 4.185 1.00 0.00 C ATOM 42 OG SER A 5 -9.820 7.756 4.905 1.00 0.00 O ATOM 0 H SER A 5 -12.733 6.626 5.289 1.00 0.00 H new ATOM 0 HA SER A 5 -12.593 8.595 3.208 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.179 8.963 3.277 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.889 9.511 4.783 1.00 0.00 H new ATOM 0 HG SER A 5 -8.988 8.226 5.124 1.00 0.00 H new ATOM 48 N SER A 6 -11.451 6.833 1.723 1.00 0.00 N ATOM 49 CA SER A 6 -11.162 5.707 0.843 1.00 0.00 C ATOM 50 C SER A 6 -10.250 6.134 -0.304 1.00 0.00 C ATOM 51 O SER A 6 -9.887 7.303 -0.421 1.00 0.00 O ATOM 52 CB SER A 6 -12.461 5.122 0.286 1.00 0.00 C ATOM 53 OG SER A 6 -12.302 3.753 -0.046 1.00 0.00 O ATOM 0 H SER A 6 -11.444 7.742 1.260 1.00 0.00 H new ATOM 0 HA SER A 6 -10.649 4.943 1.427 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.258 5.231 1.022 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.766 5.681 -0.599 1.00 0.00 H new ATOM 0 HG SER A 6 -13.146 3.402 -0.398 1.00 0.00 H new ATOM 59 N GLY A 7 -9.884 5.174 -1.148 1.00 0.00 N ATOM 60 CA GLY A 7 -9.018 5.469 -2.275 1.00 0.00 C ATOM 61 C GLY A 7 -7.633 4.875 -2.112 1.00 0.00 C ATOM 62 O GLY A 7 -6.771 5.461 -1.457 1.00 0.00 O ATOM 0 H GLY A 7 -10.171 4.198 -1.072 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.471 5.083 -3.188 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.935 6.549 -2.393 1.00 0.00 H new ATOM 66 N LYS A 8 -7.417 3.708 -2.709 1.00 0.00 N ATOM 67 CA LYS A 8 -6.127 3.033 -2.627 1.00 0.00 C ATOM 68 C LYS A 8 -6.068 1.854 -3.593 1.00 0.00 C ATOM 69 O LYS A 8 -7.099 1.330 -4.012 1.00 0.00 O ATOM 70 CB LYS A 8 -5.871 2.549 -1.198 1.00 0.00 C ATOM 71 CG LYS A 8 -6.744 1.375 -0.788 1.00 0.00 C ATOM 72 CD LYS A 8 -8.074 1.840 -0.220 1.00 0.00 C ATOM 73 CE LYS A 8 -7.936 2.291 1.226 1.00 0.00 C ATOM 74 NZ LYS A 8 -7.821 1.135 2.158 1.00 0.00 N ATOM 0 H LYS A 8 -8.119 3.209 -3.255 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.353 3.748 -2.906 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.824 2.263 -1.102 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.040 3.375 -0.508 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.921 0.733 -1.651 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.221 0.773 -0.045 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -8.461 2.661 -0.823 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.800 1.030 -0.282 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.057 2.927 1.326 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.800 2.896 1.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.882 1.473 3.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.593 0.463 1.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.907 0.661 2.012 1.00 0.00 H new ATOM 88 N GLY A 9 -4.853 1.440 -3.941 1.00 0.00 N ATOM 89 CA GLY A 9 -4.683 0.325 -4.854 1.00 0.00 C ATOM 90 C GLY A 9 -3.444 -0.493 -4.545 1.00 0.00 C ATOM 91 O GLY A 9 -2.784 -0.273 -3.531 1.00 0.00 O ATOM 0 H GLY A 9 -3.984 1.857 -3.607 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -5.561 -0.319 -4.804 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.621 0.701 -5.875 1.00 0.00 H new ATOM 95 N GLY A 10 -3.129 -1.441 -5.422 1.00 0.00 N ATOM 96 CA GLY A 10 -1.963 -2.282 -5.219 1.00 0.00 C ATOM 97 C GLY A 10 -2.316 -3.754 -5.142 1.00 0.00 C ATOM 98 O GLY A 10 -1.656 -4.589 -5.759 1.00 0.00 O ATOM 0 H GLY A 10 -3.660 -1.642 -6.269 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.258 -2.123 -6.035 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.459 -1.984 -4.299 1.00 0.00 H new ATOM 102 N GLN A 11 -3.359 -4.072 -4.382 1.00 0.00 N ATOM 103 CA GLN A 11 -3.796 -5.454 -4.225 1.00 0.00 C ATOM 104 C GLN A 11 -4.707 -5.871 -5.375 1.00 0.00 C ATOM 105 O GLN A 11 -5.488 -5.068 -5.884 1.00 0.00 O ATOM 106 CB GLN A 11 -4.525 -5.632 -2.891 1.00 0.00 C ATOM 107 CG GLN A 11 -5.899 -4.983 -2.857 1.00 0.00 C ATOM 108 CD GLN A 11 -6.343 -4.630 -1.451 1.00 0.00 C ATOM 109 OE1 GLN A 11 -5.612 -4.847 -0.484 1.00 0.00 O ATOM 110 NE2 GLN A 11 -7.546 -4.082 -1.330 1.00 0.00 N ATOM 0 H GLN A 11 -3.917 -3.392 -3.866 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.912 -6.092 -4.236 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.630 -6.697 -2.683 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.913 -5.210 -2.093 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -5.885 -4.080 -3.467 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -6.627 -5.659 -3.305 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -8.118 -3.920 -2.159 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.898 -3.823 -0.408 1.00 0.00 H new ATOM 119 N VAL A 12 -4.600 -7.132 -5.780 1.00 0.00 N ATOM 120 CA VAL A 12 -5.414 -7.656 -6.870 1.00 0.00 C ATOM 121 C VAL A 12 -6.152 -8.921 -6.446 1.00 0.00 C ATOM 122 O VAL A 12 -7.276 -9.171 -6.882 1.00 0.00 O ATOM 123 CB VAL A 12 -4.557 -7.968 -8.111 1.00 0.00 C ATOM 124 CG1 VAL A 12 -3.564 -9.081 -7.810 1.00 0.00 C ATOM 125 CG2 VAL A 12 -5.443 -8.339 -9.291 1.00 0.00 C ATOM 0 H VAL A 12 -3.958 -7.810 -5.370 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.139 -6.883 -7.123 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.994 -7.073 -8.375 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.968 -9.287 -8.699 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.908 -8.773 -6.996 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.104 -9.982 -7.519 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.821 -8.556 -10.159 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.035 -9.219 -9.039 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.109 -7.508 -9.521 1.00 0.00 H new ATOM 135 N ARG A 13 -5.514 -9.714 -5.592 1.00 0.00 N ATOM 136 CA ARG A 13 -6.110 -10.953 -5.108 1.00 0.00 C ATOM 137 C ARG A 13 -6.155 -10.976 -3.583 1.00 0.00 C ATOM 138 O ARG A 13 -6.957 -11.694 -2.986 1.00 0.00 O ATOM 139 CB ARG A 13 -5.321 -12.159 -5.623 1.00 0.00 C ATOM 140 CG ARG A 13 -5.517 -12.426 -7.107 1.00 0.00 C ATOM 141 CD ARG A 13 -4.384 -13.265 -7.676 1.00 0.00 C ATOM 142 NE ARG A 13 -4.454 -13.364 -9.132 1.00 0.00 N ATOM 143 CZ ARG A 13 -3.560 -14.015 -9.868 1.00 0.00 C ATOM 144 NH1 ARG A 13 -2.534 -14.622 -9.288 1.00 0.00 N ATOM 145 NH2 ARG A 13 -3.693 -14.060 -11.187 1.00 0.00 N ATOM 0 H ARG A 13 -4.584 -9.520 -5.221 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.131 -11.007 -5.486 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.261 -11.999 -5.428 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.618 -13.044 -5.061 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.466 -12.940 -7.263 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.575 -11.479 -7.644 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.428 -12.827 -7.388 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.420 -14.264 -7.243 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.232 -12.908 -9.609 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.429 -14.590 -8.274 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.849 -15.121 -9.856 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.482 -13.595 -11.636 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.007 -14.560 -11.752 1.00 0.00 H new ATOM 159 N PHE A 14 -5.289 -10.185 -2.959 1.00 0.00 N ATOM 160 CA PHE A 14 -5.229 -10.115 -1.504 1.00 0.00 C ATOM 161 C PHE A 14 -6.557 -9.633 -0.927 1.00 0.00 C ATOM 162 O PHE A 14 -7.063 -8.577 -1.305 1.00 0.00 O ATOM 163 CB PHE A 14 -4.100 -9.181 -1.063 1.00 0.00 C ATOM 164 CG PHE A 14 -2.757 -9.560 -1.618 1.00 0.00 C ATOM 165 CD1 PHE A 14 -2.084 -10.672 -1.139 1.00 0.00 C ATOM 166 CD2 PHE A 14 -2.168 -8.805 -2.620 1.00 0.00 C ATOM 167 CE1 PHE A 14 -0.847 -11.023 -1.649 1.00 0.00 C ATOM 168 CE2 PHE A 14 -0.933 -9.151 -3.133 1.00 0.00 C ATOM 169 CZ PHE A 14 -0.272 -10.262 -2.647 1.00 0.00 C ATOM 0 H PHE A 14 -4.619 -9.583 -3.438 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.031 -11.118 -1.125 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.339 -8.164 -1.374 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.046 -9.178 0.026 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.530 -11.271 -0.359 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.681 -7.936 -3.004 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.331 -11.892 -1.267 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.485 -8.554 -3.913 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.693 -10.535 -3.047 1.00 0.00 H new ATOM 179 N SER A 15 -7.116 -10.416 -0.010 1.00 0.00 N ATOM 180 CA SER A 15 -8.388 -10.073 0.616 1.00 0.00 C ATOM 181 C SER A 15 -8.189 -9.030 1.712 1.00 0.00 C ATOM 182 O SER A 15 -7.090 -8.871 2.241 1.00 0.00 O ATOM 183 CB SER A 15 -9.047 -11.324 1.201 1.00 0.00 C ATOM 184 OG SER A 15 -9.578 -12.146 0.176 1.00 0.00 O ATOM 0 H SER A 15 -6.708 -11.292 0.316 1.00 0.00 H new ATOM 0 HA SER A 15 -9.040 -9.652 -0.149 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.316 -11.887 1.781 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.842 -11.033 1.887 1.00 0.00 H new ATOM 0 HG SER A 15 -9.992 -12.940 0.575 1.00 0.00 H new ATOM 190 N ASN A 16 -9.263 -8.321 2.047 1.00 0.00 N ATOM 191 CA ASN A 16 -9.208 -7.292 3.079 1.00 0.00 C ATOM 192 C ASN A 16 -8.269 -7.704 4.209 1.00 0.00 C ATOM 193 O ASN A 16 -7.249 -7.059 4.449 1.00 0.00 O ATOM 194 CB ASN A 16 -10.607 -7.024 3.636 1.00 0.00 C ATOM 195 CG ASN A 16 -11.370 -6.002 2.815 1.00 0.00 C ATOM 196 OD1 ASN A 16 -11.966 -6.333 1.790 1.00 0.00 O ATOM 197 ND2 ASN A 16 -11.353 -4.752 3.263 1.00 0.00 N ATOM 0 H ASN A 16 -10.181 -8.440 1.619 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.823 -6.378 2.626 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.169 -7.957 3.663 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.524 -6.672 4.664 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -11.847 -4.020 2.752 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -10.846 -4.523 4.118 1.00 0.00 H new ATOM 204 N ASP A 17 -8.622 -8.783 4.899 1.00 0.00 N ATOM 205 CA ASP A 17 -7.811 -9.284 6.003 1.00 0.00 C ATOM 206 C ASP A 17 -6.382 -9.560 5.545 1.00 0.00 C ATOM 207 O ASP A 17 -5.427 -9.022 6.105 1.00 0.00 O ATOM 208 CB ASP A 17 -8.429 -10.557 6.582 1.00 0.00 C ATOM 209 CG ASP A 17 -7.605 -11.138 7.714 1.00 0.00 C ATOM 210 OD1 ASP A 17 -7.433 -10.444 8.738 1.00 0.00 O ATOM 211 OD2 ASP A 17 -7.131 -12.285 7.576 1.00 0.00 O ATOM 0 H ASP A 17 -9.464 -9.328 4.713 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.784 -8.518 6.778 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.434 -10.338 6.943 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.530 -11.300 5.791 1.00 0.00 H new ATOM 216 N GLN A 18 -6.244 -10.402 4.526 1.00 0.00 N ATOM 217 CA GLN A 18 -4.931 -10.750 3.996 1.00 0.00 C ATOM 218 C GLN A 18 -4.035 -9.519 3.909 1.00 0.00 C ATOM 219 O GLN A 18 -2.914 -9.516 4.420 1.00 0.00 O ATOM 220 CB GLN A 18 -5.070 -11.392 2.615 1.00 0.00 C ATOM 221 CG GLN A 18 -5.231 -12.903 2.660 1.00 0.00 C ATOM 222 CD GLN A 18 -5.692 -13.481 1.336 1.00 0.00 C ATOM 223 OE1 GLN A 18 -5.729 -12.785 0.321 1.00 0.00 O ATOM 224 NE2 GLN A 18 -6.046 -14.761 1.340 1.00 0.00 N ATOM 0 H GLN A 18 -7.025 -10.855 4.051 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.470 -11.465 4.677 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -5.931 -10.958 2.107 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.191 -11.146 2.019 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.280 -13.358 2.939 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -5.950 -13.165 3.436 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.000 -15.300 2.205 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.364 -15.205 0.479 1.00 0.00 H new ATOM 233 N THR A 19 -4.535 -8.473 3.259 1.00 0.00 N ATOM 234 CA THR A 19 -3.780 -7.237 3.104 1.00 0.00 C ATOM 235 C THR A 19 -3.350 -6.682 4.457 1.00 0.00 C ATOM 236 O THR A 19 -2.195 -6.297 4.642 1.00 0.00 O ATOM 237 CB THR A 19 -4.601 -6.166 2.360 1.00 0.00 C ATOM 238 OG1 THR A 19 -5.105 -6.701 1.132 1.00 0.00 O ATOM 239 CG2 THR A 19 -3.752 -4.936 2.073 1.00 0.00 C ATOM 0 H THR A 19 -5.461 -8.458 2.831 1.00 0.00 H new ATOM 0 HA THR A 19 -2.895 -7.479 2.516 1.00 0.00 H new ATOM 0 HB THR A 19 -5.435 -5.872 2.997 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.315 -5.967 0.517 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.353 -4.194 1.547 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.394 -4.514 3.012 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.900 -5.218 1.454 1.00 0.00 H new ATOM 247 N ILE A 20 -4.285 -6.644 5.400 1.00 0.00 N ATOM 248 CA ILE A 20 -4.002 -6.137 6.737 1.00 0.00 C ATOM 249 C ILE A 20 -2.745 -6.780 7.313 1.00 0.00 C ATOM 250 O ILE A 20 -1.740 -6.107 7.539 1.00 0.00 O ATOM 251 CB ILE A 20 -5.180 -6.390 7.697 1.00 0.00 C ATOM 252 CG1 ILE A 20 -6.418 -5.619 7.233 1.00 0.00 C ATOM 253 CG2 ILE A 20 -4.802 -5.991 9.115 1.00 0.00 C ATOM 254 CD1 ILE A 20 -7.657 -5.922 8.045 1.00 0.00 C ATOM 0 H ILE A 20 -5.246 -6.958 5.263 1.00 0.00 H new ATOM 0 HA ILE A 20 -3.847 -5.062 6.641 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.414 -7.455 7.690 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -6.211 -4.550 7.286 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.612 -5.855 6.187 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.644 -6.176 9.782 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.945 -6.579 9.442 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.546 -4.932 9.139 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.495 -5.341 7.661 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -7.889 -6.985 7.972 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.482 -5.659 9.088 1.00 0.00 H new ATOM 266 N GLU A 21 -2.809 -8.087 7.547 1.00 0.00 N ATOM 267 CA GLU A 21 -1.675 -8.821 8.096 1.00 0.00 C ATOM 268 C GLU A 21 -0.413 -8.564 7.277 1.00 0.00 C ATOM 269 O GLU A 21 0.591 -8.076 7.798 1.00 0.00 O ATOM 270 CB GLU A 21 -1.977 -10.321 8.130 1.00 0.00 C ATOM 271 CG GLU A 21 -3.031 -10.706 9.155 1.00 0.00 C ATOM 272 CD GLU A 21 -2.437 -11.009 10.516 1.00 0.00 C ATOM 273 OE1 GLU A 21 -1.279 -11.474 10.567 1.00 0.00 O ATOM 274 OE2 GLU A 21 -3.130 -10.783 11.530 1.00 0.00 O ATOM 0 H GLU A 21 -3.634 -8.659 7.365 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.506 -8.469 9.114 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.310 -10.639 7.142 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.057 -10.864 8.346 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.753 -9.895 9.250 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.577 -11.579 8.799 1.00 0.00 H new ATOM 281 N LEU A 22 -0.471 -8.898 5.992 1.00 0.00 N ATOM 282 CA LEU A 22 0.667 -8.704 5.100 1.00 0.00 C ATOM 283 C LEU A 22 1.445 -7.446 5.473 1.00 0.00 C ATOM 284 O LEU A 22 2.674 -7.429 5.429 1.00 0.00 O ATOM 285 CB LEU A 22 0.192 -8.612 3.648 1.00 0.00 C ATOM 286 CG LEU A 22 -0.239 -9.927 2.998 1.00 0.00 C ATOM 287 CD1 LEU A 22 -0.985 -9.662 1.700 1.00 0.00 C ATOM 288 CD2 LEU A 22 0.969 -10.819 2.748 1.00 0.00 C ATOM 0 H LEU A 22 -1.293 -9.304 5.545 1.00 0.00 H new ATOM 0 HA LEU A 22 1.330 -9.563 5.206 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.646 -7.917 3.604 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.995 -8.181 3.051 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.913 -10.444 3.681 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.284 -10.610 1.252 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.872 -9.062 1.906 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.335 -9.123 1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.644 -11.751 2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.667 -10.309 2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.462 -11.037 3.695 1.00 0.00 H new ATOM 300 N GLU A 23 0.718 -6.396 5.843 1.00 0.00 N ATOM 301 CA GLU A 23 1.341 -5.134 6.226 1.00 0.00 C ATOM 302 C GLU A 23 1.931 -5.223 7.630 1.00 0.00 C ATOM 303 O GLU A 23 3.072 -4.822 7.863 1.00 0.00 O ATOM 304 CB GLU A 23 0.321 -3.996 6.160 1.00 0.00 C ATOM 305 CG GLU A 23 -0.038 -3.581 4.743 1.00 0.00 C ATOM 306 CD GLU A 23 0.891 -2.515 4.195 1.00 0.00 C ATOM 307 OE1 GLU A 23 1.918 -2.232 4.846 1.00 0.00 O ATOM 308 OE2 GLU A 23 0.590 -1.963 3.116 1.00 0.00 O ATOM 0 H GLU A 23 -0.301 -6.394 5.886 1.00 0.00 H new ATOM 0 HA GLU A 23 2.149 -4.929 5.524 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.586 -4.302 6.681 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.718 -3.132 6.693 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.005 -4.455 4.093 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.062 -3.209 4.726 1.00 0.00 H new ATOM 315 N LYS A 24 1.146 -5.750 8.563 1.00 0.00 N ATOM 316 CA LYS A 24 1.589 -5.893 9.945 1.00 0.00 C ATOM 317 C LYS A 24 2.952 -6.574 10.012 1.00 0.00 C ATOM 318 O LYS A 24 3.722 -6.355 10.947 1.00 0.00 O ATOM 319 CB LYS A 24 0.565 -6.696 10.750 1.00 0.00 C ATOM 320 CG LYS A 24 -0.860 -6.191 10.598 1.00 0.00 C ATOM 321 CD LYS A 24 -1.738 -6.642 11.753 1.00 0.00 C ATOM 322 CE LYS A 24 -2.139 -8.102 11.611 1.00 0.00 C ATOM 323 NZ LYS A 24 -3.411 -8.256 10.853 1.00 0.00 N ATOM 0 H LYS A 24 0.199 -6.086 8.387 1.00 0.00 H new ATOM 0 HA LYS A 24 1.680 -4.896 10.376 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.607 -7.739 10.437 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.841 -6.668 11.804 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.857 -5.102 10.545 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.277 -6.554 9.659 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.206 -6.500 12.693 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.632 -6.020 11.796 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.345 -8.649 11.103 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.250 -8.546 12.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.801 -9.206 11.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.095 -7.541 11.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.227 -8.129 9.837 1.00 0.00 H new ATOM 337 N LYS A 25 3.244 -7.401 9.014 1.00 0.00 N ATOM 338 CA LYS A 25 4.515 -8.113 8.957 1.00 0.00 C ATOM 339 C LYS A 25 5.606 -7.233 8.355 1.00 0.00 C ATOM 340 O LYS A 25 6.619 -6.956 8.997 1.00 0.00 O ATOM 341 CB LYS A 25 4.368 -9.396 8.136 1.00 0.00 C ATOM 342 CG LYS A 25 5.557 -10.334 8.255 1.00 0.00 C ATOM 343 CD LYS A 25 5.791 -10.757 9.696 1.00 0.00 C ATOM 344 CE LYS A 25 6.530 -12.084 9.774 1.00 0.00 C ATOM 345 NZ LYS A 25 6.351 -12.742 11.098 1.00 0.00 N ATOM 0 H LYS A 25 2.617 -7.595 8.233 1.00 0.00 H new ATOM 0 HA LYS A 25 4.804 -8.372 9.976 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.468 -9.921 8.456 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.227 -9.132 7.088 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.388 -11.217 7.638 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.450 -9.842 7.870 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.365 -9.988 10.213 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.834 -10.841 10.212 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.170 -12.747 8.987 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.592 -11.920 9.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.870 -13.643 11.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.718 -12.121 11.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.340 -12.922 11.262 1.00 0.00 H new ATOM 359 N PHE A 26 5.391 -6.796 7.119 1.00 0.00 N ATOM 360 CA PHE A 26 6.356 -5.946 6.430 1.00 0.00 C ATOM 361 C PHE A 26 6.891 -4.865 7.363 1.00 0.00 C ATOM 362 O PHE A 26 8.097 -4.627 7.426 1.00 0.00 O ATOM 363 CB PHE A 26 5.713 -5.302 5.200 1.00 0.00 C ATOM 364 CG PHE A 26 6.405 -4.048 4.750 1.00 0.00 C ATOM 365 CD1 PHE A 26 6.141 -2.835 5.367 1.00 0.00 C ATOM 366 CD2 PHE A 26 7.320 -4.080 3.710 1.00 0.00 C ATOM 367 CE1 PHE A 26 6.776 -1.679 4.954 1.00 0.00 C ATOM 368 CE2 PHE A 26 7.959 -2.928 3.293 1.00 0.00 C ATOM 369 CZ PHE A 26 7.687 -1.726 3.917 1.00 0.00 C ATOM 0 H PHE A 26 4.558 -7.016 6.574 1.00 0.00 H new ATOM 0 HA PHE A 26 7.190 -6.571 6.110 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.713 -6.021 4.381 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.671 -5.073 5.423 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.431 -2.793 6.180 1.00 0.00 H new ATOM 0 HD2 PHE A 26 7.537 -5.017 3.219 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.560 -0.740 5.442 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.670 -2.967 2.481 1.00 0.00 H new ATOM 0 HZ PHE A 26 8.186 -0.824 3.594 1.00 0.00 H new ATOM 379 N GLU A 27 5.985 -4.213 8.086 1.00 0.00 N ATOM 380 CA GLU A 27 6.367 -3.155 9.014 1.00 0.00 C ATOM 381 C GLU A 27 7.415 -3.653 10.005 1.00 0.00 C ATOM 382 O GLU A 27 8.437 -3.003 10.225 1.00 0.00 O ATOM 383 CB GLU A 27 5.139 -2.641 9.769 1.00 0.00 C ATOM 384 CG GLU A 27 3.991 -2.237 8.859 1.00 0.00 C ATOM 385 CD GLU A 27 4.054 -0.777 8.454 1.00 0.00 C ATOM 386 OE1 GLU A 27 3.943 0.092 9.345 1.00 0.00 O ATOM 387 OE2 GLU A 27 4.215 -0.503 7.247 1.00 0.00 O ATOM 0 H GLU A 27 4.983 -4.399 8.047 1.00 0.00 H new ATOM 0 HA GLU A 27 6.798 -2.338 8.436 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.794 -3.415 10.454 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.429 -1.784 10.377 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.005 -2.859 7.964 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.045 -2.429 9.366 1.00 0.00 H new ATOM 394 N THR A 28 7.153 -4.812 10.602 1.00 0.00 N ATOM 395 CA THR A 28 8.071 -5.397 11.571 1.00 0.00 C ATOM 396 C THR A 28 9.323 -5.934 10.887 1.00 0.00 C ATOM 397 O THR A 28 10.400 -5.965 11.482 1.00 0.00 O ATOM 398 CB THR A 28 7.402 -6.539 12.360 1.00 0.00 C ATOM 399 OG1 THR A 28 6.961 -7.563 11.462 1.00 0.00 O ATOM 400 CG2 THR A 28 6.220 -6.020 13.165 1.00 0.00 C ATOM 0 H THR A 28 6.312 -5.364 10.431 1.00 0.00 H new ATOM 0 HA THR A 28 8.350 -4.602 12.262 1.00 0.00 H new ATOM 0 HB THR A 28 8.137 -6.954 13.049 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.055 -7.250 10.538 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.764 -6.844 13.714 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.564 -5.262 13.869 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.485 -5.582 12.490 1.00 0.00 H new ATOM 408 N GLN A 29 9.175 -6.354 9.635 1.00 0.00 N ATOM 409 CA GLN A 29 10.295 -6.889 8.871 1.00 0.00 C ATOM 410 C GLN A 29 10.061 -6.723 7.373 1.00 0.00 C ATOM 411 O GLN A 29 9.130 -7.300 6.812 1.00 0.00 O ATOM 412 CB GLN A 29 10.509 -8.366 9.206 1.00 0.00 C ATOM 413 CG GLN A 29 11.961 -8.807 9.112 1.00 0.00 C ATOM 414 CD GLN A 29 12.104 -10.293 8.850 1.00 0.00 C ATOM 415 OE1 GLN A 29 11.368 -11.107 9.408 1.00 0.00 O ATOM 416 NE2 GLN A 29 13.055 -10.655 7.998 1.00 0.00 N ATOM 0 H GLN A 29 8.290 -6.334 9.128 1.00 0.00 H new ATOM 0 HA GLN A 29 11.189 -6.329 9.144 1.00 0.00 H new ATOM 0 HB2 GLN A 29 10.144 -8.558 10.215 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.909 -8.974 8.529 1.00 0.00 H new ATOM 0 HG2 GLN A 29 12.454 -8.252 8.314 1.00 0.00 H new ATOM 0 HG3 GLN A 29 12.474 -8.555 10.040 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.642 -9.947 7.558 1.00 0.00 H new ATOM 0 HE22 GLN A 29 13.199 -11.642 7.783 1.00 0.00 H new ATOM 425 N LYS A 30 10.913 -5.931 6.731 1.00 0.00 N ATOM 426 CA LYS A 30 10.801 -5.690 5.297 1.00 0.00 C ATOM 427 C LYS A 30 10.963 -6.987 4.512 1.00 0.00 C ATOM 428 O LYS A 30 10.372 -7.157 3.446 1.00 0.00 O ATOM 429 CB LYS A 30 11.853 -4.673 4.846 1.00 0.00 C ATOM 430 CG LYS A 30 11.836 -3.384 5.649 1.00 0.00 C ATOM 431 CD LYS A 30 10.616 -2.539 5.322 1.00 0.00 C ATOM 432 CE LYS A 30 10.273 -1.591 6.461 1.00 0.00 C ATOM 433 NZ LYS A 30 9.844 -2.326 7.684 1.00 0.00 N ATOM 0 H LYS A 30 11.689 -5.445 7.181 1.00 0.00 H new ATOM 0 HA LYS A 30 9.807 -5.288 5.098 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.841 -5.126 4.923 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.692 -4.438 3.794 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.843 -3.617 6.714 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.741 -2.813 5.442 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.802 -1.966 4.414 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.765 -3.190 5.120 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.141 -0.974 6.694 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.477 -0.916 6.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.279 -1.695 8.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.270 -3.149 7.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.683 -2.648 8.208 1.00 0.00 H new ATOM 447 N TYR A 31 11.767 -7.900 5.047 1.00 0.00 N ATOM 448 CA TYR A 31 12.007 -9.182 4.396 1.00 0.00 C ATOM 449 C TYR A 31 11.564 -10.338 5.288 1.00 0.00 C ATOM 450 O TYR A 31 11.224 -10.142 6.455 1.00 0.00 O ATOM 451 CB TYR A 31 13.489 -9.331 4.048 1.00 0.00 C ATOM 452 CG TYR A 31 13.878 -8.659 2.751 1.00 0.00 C ATOM 453 CD1 TYR A 31 13.851 -7.275 2.627 1.00 0.00 C ATOM 454 CD2 TYR A 31 14.272 -9.408 1.649 1.00 0.00 C ATOM 455 CE1 TYR A 31 14.204 -6.657 1.443 1.00 0.00 C ATOM 456 CE2 TYR A 31 14.628 -8.798 0.461 1.00 0.00 C ATOM 457 CZ TYR A 31 14.592 -7.423 0.363 1.00 0.00 C ATOM 458 OH TYR A 31 14.946 -6.810 -0.817 1.00 0.00 O ATOM 0 H TYR A 31 12.263 -7.776 5.929 1.00 0.00 H new ATOM 0 HA TYR A 31 11.420 -9.210 3.478 1.00 0.00 H new ATOM 0 HB2 TYR A 31 14.087 -8.913 4.858 1.00 0.00 H new ATOM 0 HB3 TYR A 31 13.734 -10.391 3.986 1.00 0.00 H new ATOM 0 HD1 TYR A 31 13.549 -6.672 3.471 1.00 0.00 H new ATOM 0 HD2 TYR A 31 14.301 -10.485 1.722 1.00 0.00 H new ATOM 0 HE1 TYR A 31 14.176 -5.580 1.363 1.00 0.00 H new ATOM 0 HE2 TYR A 31 14.933 -9.395 -0.386 1.00 0.00 H new ATOM 0 HH TYR A 31 15.195 -7.490 -1.477 1.00 0.00 H new ATOM 468 N LEU A 32 11.571 -11.543 4.730 1.00 0.00 N ATOM 469 CA LEU A 32 11.171 -12.733 5.473 1.00 0.00 C ATOM 470 C LEU A 32 11.854 -13.978 4.917 1.00 0.00 C ATOM 471 O LEU A 32 11.731 -14.290 3.733 1.00 0.00 O ATOM 472 CB LEU A 32 9.652 -12.904 5.420 1.00 0.00 C ATOM 473 CG LEU A 32 8.826 -11.755 5.999 1.00 0.00 C ATOM 474 CD1 LEU A 32 7.404 -11.795 5.461 1.00 0.00 C ATOM 475 CD2 LEU A 32 8.825 -11.812 7.520 1.00 0.00 C ATOM 0 H LEU A 32 11.849 -11.722 3.765 1.00 0.00 H new ATOM 0 HA LEU A 32 11.480 -12.605 6.510 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.359 -13.047 4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.391 -13.818 5.954 1.00 0.00 H new ATOM 0 HG LEU A 32 9.282 -10.814 5.691 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.831 -10.970 5.884 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.423 -11.704 4.375 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.937 -12.740 5.738 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.232 -10.987 7.915 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.394 -12.758 7.848 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.848 -11.732 7.888 1.00 0.00 H new ATOM 487 N SER A 33 12.574 -14.688 5.781 1.00 0.00 N ATOM 488 CA SER A 33 13.278 -15.899 5.376 1.00 0.00 C ATOM 489 C SER A 33 12.302 -16.942 4.840 1.00 0.00 C ATOM 490 O SER A 33 11.119 -16.954 5.181 1.00 0.00 O ATOM 491 CB SER A 33 14.063 -16.476 6.555 1.00 0.00 C ATOM 492 OG SER A 33 14.671 -15.447 7.316 1.00 0.00 O ATOM 0 H SER A 33 12.685 -14.445 6.765 1.00 0.00 H new ATOM 0 HA SER A 33 13.974 -15.636 4.579 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.395 -17.057 7.191 1.00 0.00 H new ATOM 0 HB3 SER A 33 14.827 -17.160 6.187 1.00 0.00 H new ATOM 0 HG SER A 33 15.165 -15.842 8.064 1.00 0.00 H new ATOM 498 N PRO A 34 12.808 -17.839 3.981 1.00 0.00 N ATOM 499 CA PRO A 34 11.999 -18.903 3.380 1.00 0.00 C ATOM 500 C PRO A 34 11.159 -19.646 4.413 1.00 0.00 C ATOM 501 O PRO A 34 9.978 -19.925 4.204 1.00 0.00 O ATOM 502 CB PRO A 34 13.043 -19.839 2.766 1.00 0.00 C ATOM 503 CG PRO A 34 14.221 -18.967 2.497 1.00 0.00 C ATOM 504 CD PRO A 34 14.209 -17.883 3.530 1.00 0.00 C ATOM 0 HA PRO A 34 11.281 -18.511 2.659 1.00 0.00 H new ATOM 0 HB2 PRO A 34 13.298 -20.650 3.448 1.00 0.00 H new ATOM 0 HB3 PRO A 34 12.673 -20.298 1.849 1.00 0.00 H new ATOM 0 HG2 PRO A 34 15.146 -19.541 2.551 1.00 0.00 H new ATOM 0 HG3 PRO A 34 14.167 -18.544 1.494 1.00 0.00 H new ATOM 0 HD2 PRO A 34 14.887 -18.108 4.353 1.00 0.00 H new ATOM 0 HD3 PRO A 34 14.524 -16.928 3.110 1.00 0.00 H new ATOM 512 N PRO A 35 11.780 -19.976 5.555 1.00 0.00 N ATOM 513 CA PRO A 35 11.107 -20.690 6.644 1.00 0.00 C ATOM 514 C PRO A 35 9.754 -20.079 6.990 1.00 0.00 C ATOM 515 O PRO A 35 8.762 -20.791 7.140 1.00 0.00 O ATOM 516 CB PRO A 35 12.077 -20.542 7.819 1.00 0.00 C ATOM 517 CG PRO A 35 13.413 -20.359 7.185 1.00 0.00 C ATOM 518 CD PRO A 35 13.186 -19.675 5.872 1.00 0.00 C ATOM 0 HA PRO A 35 10.891 -21.725 6.379 1.00 0.00 H new ATOM 0 HB2 PRO A 35 11.815 -19.688 8.444 1.00 0.00 H new ATOM 0 HB3 PRO A 35 12.060 -21.423 8.460 1.00 0.00 H new ATOM 0 HG2 PRO A 35 14.064 -19.762 7.823 1.00 0.00 H new ATOM 0 HG3 PRO A 35 13.905 -21.320 7.039 1.00 0.00 H new ATOM 0 HD2 PRO A 35 13.358 -18.601 5.946 1.00 0.00 H new ATOM 0 HD3 PRO A 35 13.859 -20.053 5.103 1.00 0.00 H new ATOM 526 N GLU A 36 9.722 -18.756 7.115 1.00 0.00 N ATOM 527 CA GLU A 36 8.490 -18.049 7.444 1.00 0.00 C ATOM 528 C GLU A 36 7.608 -17.889 6.209 1.00 0.00 C ATOM 529 O GLU A 36 6.525 -18.468 6.127 1.00 0.00 O ATOM 530 CB GLU A 36 8.806 -16.676 8.040 1.00 0.00 C ATOM 531 CG GLU A 36 9.924 -16.702 9.069 1.00 0.00 C ATOM 532 CD GLU A 36 9.414 -16.939 10.478 1.00 0.00 C ATOM 533 OE1 GLU A 36 8.447 -16.260 10.882 1.00 0.00 O ATOM 534 OE2 GLU A 36 9.983 -17.804 11.176 1.00 0.00 O ATOM 0 H GLU A 36 10.535 -18.152 6.993 1.00 0.00 H new ATOM 0 HA GLU A 36 7.948 -18.641 8.182 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.080 -15.994 7.235 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.905 -16.275 8.505 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.635 -17.485 8.807 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.465 -15.756 9.037 1.00 0.00 H new ATOM 541 N ARG A 37 8.081 -17.099 5.251 1.00 0.00 N ATOM 542 CA ARG A 37 7.336 -16.860 4.020 1.00 0.00 C ATOM 543 C ARG A 37 6.557 -18.105 3.606 1.00 0.00 C ATOM 544 O ARG A 37 5.467 -18.009 3.040 1.00 0.00 O ATOM 545 CB ARG A 37 8.286 -16.443 2.896 1.00 0.00 C ATOM 546 CG ARG A 37 7.595 -15.722 1.751 1.00 0.00 C ATOM 547 CD ARG A 37 8.416 -15.791 0.473 1.00 0.00 C ATOM 548 NE ARG A 37 8.801 -17.161 0.143 1.00 0.00 N ATOM 549 CZ ARG A 37 9.639 -17.472 -0.840 1.00 0.00 C ATOM 550 NH1 ARG A 37 10.177 -16.516 -1.584 1.00 0.00 N ATOM 551 NH2 ARG A 37 9.941 -18.742 -1.078 1.00 0.00 N ATOM 0 H ARG A 37 8.976 -16.613 5.303 1.00 0.00 H new ATOM 0 HA ARG A 37 6.627 -16.053 4.205 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.060 -15.795 3.308 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.786 -17.330 2.507 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.614 -16.166 1.579 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.430 -14.679 2.023 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.841 -15.368 -0.351 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.311 -15.180 0.584 1.00 0.00 H new ATOM 0 HE ARG A 37 8.405 -17.920 0.697 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.948 -15.539 -1.402 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.820 -16.758 -2.338 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.530 -19.480 -0.506 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.584 -18.980 -1.833 1.00 0.00 H new ATOM 565 N LYS A 38 7.122 -19.273 3.892 1.00 0.00 N ATOM 566 CA LYS A 38 6.482 -20.537 3.551 1.00 0.00 C ATOM 567 C LYS A 38 5.216 -20.747 4.377 1.00 0.00 C ATOM 568 O LYS A 38 4.156 -21.062 3.836 1.00 0.00 O ATOM 569 CB LYS A 38 7.450 -21.701 3.779 1.00 0.00 C ATOM 570 CG LYS A 38 8.501 -21.838 2.691 1.00 0.00 C ATOM 571 CD LYS A 38 9.687 -22.663 3.163 1.00 0.00 C ATOM 572 CE LYS A 38 10.364 -23.380 2.005 1.00 0.00 C ATOM 573 NZ LYS A 38 10.697 -22.446 0.894 1.00 0.00 N ATOM 0 H LYS A 38 8.023 -19.370 4.360 1.00 0.00 H new ATOM 0 HA LYS A 38 6.206 -20.502 2.497 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.948 -21.566 4.739 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.881 -22.629 3.843 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.058 -22.306 1.812 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.843 -20.849 2.387 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.407 -22.014 3.662 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.353 -23.394 3.899 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.275 -23.863 2.359 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.709 -24.168 1.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.480 -22.839 0.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.864 -22.320 0.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 10.980 -21.526 1.287 1.00 0.00 H new ATOM 587 N ARG A 39 5.335 -20.567 5.689 1.00 0.00 N ATOM 588 CA ARG A 39 4.200 -20.736 6.588 1.00 0.00 C ATOM 589 C ARG A 39 3.186 -19.611 6.402 1.00 0.00 C ATOM 590 O ARG A 39 1.976 -19.839 6.435 1.00 0.00 O ATOM 591 CB ARG A 39 4.675 -20.773 8.042 1.00 0.00 C ATOM 592 CG ARG A 39 4.702 -19.408 8.709 1.00 0.00 C ATOM 593 CD ARG A 39 5.608 -19.403 9.931 1.00 0.00 C ATOM 594 NE ARG A 39 4.886 -19.765 11.148 1.00 0.00 N ATOM 595 CZ ARG A 39 3.986 -18.981 11.729 1.00 0.00 C ATOM 596 NH1 ARG A 39 3.697 -17.797 11.208 1.00 0.00 N ATOM 597 NH2 ARG A 39 3.371 -19.381 12.835 1.00 0.00 N ATOM 0 H ARG A 39 6.205 -20.304 6.152 1.00 0.00 H new ATOM 0 HA ARG A 39 3.716 -21.682 6.346 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.022 -21.434 8.612 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.675 -21.205 8.078 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.047 -18.660 7.995 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.691 -19.125 9.003 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.430 -20.102 9.776 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.049 -18.413 10.052 1.00 0.00 H new ATOM 0 HE ARG A 39 5.084 -20.670 11.575 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.167 -17.486 10.358 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.005 -17.197 11.657 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.590 -20.292 13.239 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.680 -18.778 13.281 1.00 0.00 H new ATOM 611 N LEU A 40 3.688 -18.396 6.207 1.00 0.00 N ATOM 612 CA LEU A 40 2.826 -17.235 6.016 1.00 0.00 C ATOM 613 C LEU A 40 1.861 -17.457 4.856 1.00 0.00 C ATOM 614 O LEU A 40 0.649 -17.307 5.007 1.00 0.00 O ATOM 615 CB LEU A 40 3.671 -15.985 5.759 1.00 0.00 C ATOM 616 CG LEU A 40 2.990 -14.645 6.040 1.00 0.00 C ATOM 617 CD1 LEU A 40 2.691 -14.499 7.524 1.00 0.00 C ATOM 618 CD2 LEU A 40 3.858 -13.494 5.553 1.00 0.00 C ATOM 0 H LEU A 40 4.686 -18.190 6.177 1.00 0.00 H new ATOM 0 HA LEU A 40 2.244 -17.093 6.926 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.571 -16.047 6.370 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.992 -15.995 4.717 1.00 0.00 H new ATOM 0 HG LEU A 40 2.046 -14.617 5.496 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.207 -13.539 7.705 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.030 -15.305 7.843 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.622 -14.548 8.089 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.358 -12.548 5.761 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.818 -13.518 6.069 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.021 -13.590 4.480 1.00 0.00 H new ATOM 630 N ALA A 41 2.407 -17.818 3.700 1.00 0.00 N ATOM 631 CA ALA A 41 1.595 -18.066 2.515 1.00 0.00 C ATOM 632 C ALA A 41 0.488 -19.072 2.810 1.00 0.00 C ATOM 633 O ALA A 41 -0.544 -19.091 2.138 1.00 0.00 O ATOM 634 CB ALA A 41 2.467 -18.558 1.370 1.00 0.00 C ATOM 0 H ALA A 41 3.409 -17.945 3.559 1.00 0.00 H new ATOM 0 HA ALA A 41 1.128 -17.126 2.222 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.847 -18.739 0.492 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.218 -17.804 1.135 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.962 -19.484 1.662 1.00 0.00 H new ATOM 640 N LYS A 42 0.708 -19.909 3.818 1.00 0.00 N ATOM 641 CA LYS A 42 -0.270 -20.919 4.203 1.00 0.00 C ATOM 642 C LYS A 42 -1.232 -20.373 5.253 1.00 0.00 C ATOM 643 O LYS A 42 -2.373 -20.822 5.357 1.00 0.00 O ATOM 644 CB LYS A 42 0.437 -22.165 4.742 1.00 0.00 C ATOM 645 CG LYS A 42 -0.517 -23.249 5.215 1.00 0.00 C ATOM 646 CD LYS A 42 0.233 -24.440 5.786 1.00 0.00 C ATOM 647 CE LYS A 42 -0.637 -25.687 5.810 1.00 0.00 C ATOM 648 NZ LYS A 42 -1.475 -25.755 7.040 1.00 0.00 N ATOM 0 H LYS A 42 1.557 -19.908 4.384 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.843 -21.189 3.316 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.080 -22.573 3.962 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.084 -21.876 5.570 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.186 -22.841 5.973 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.140 -23.575 4.382 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.126 -24.629 5.190 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.568 -24.209 6.797 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.281 -25.698 4.931 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.004 -26.573 5.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.053 -26.619 7.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.860 -25.771 7.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.097 -24.923 7.083 1.00 0.00 H new ATOM 662 N MET A 43 -0.763 -19.401 6.029 1.00 0.00 N ATOM 663 CA MET A 43 -1.584 -18.791 7.069 1.00 0.00 C ATOM 664 C MET A 43 -2.599 -17.825 6.466 1.00 0.00 C ATOM 665 O MET A 43 -3.783 -17.865 6.800 1.00 0.00 O ATOM 666 CB MET A 43 -0.701 -18.056 8.079 1.00 0.00 C ATOM 667 CG MET A 43 -1.477 -17.140 9.011 1.00 0.00 C ATOM 668 SD MET A 43 -0.634 -16.871 10.582 1.00 0.00 S ATOM 669 CE MET A 43 0.673 -15.755 10.079 1.00 0.00 C ATOM 0 H MET A 43 0.180 -19.019 5.958 1.00 0.00 H new ATOM 0 HA MET A 43 -2.126 -19.586 7.581 1.00 0.00 H new ATOM 0 HB2 MET A 43 -0.156 -18.789 8.674 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.041 -17.468 7.540 1.00 0.00 H new ATOM 0 HG2 MET A 43 -1.637 -16.180 8.520 1.00 0.00 H new ATOM 0 HG3 MET A 43 -2.461 -17.569 9.200 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.955 -15.123 10.921 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.538 -16.332 9.752 1.00 0.00 H new ATOM 0 HE3 MET A 43 0.322 -15.130 9.258 1.00 0.00 H new ATOM 679 N LEU A 44 -2.127 -16.959 5.576 1.00 0.00 N ATOM 680 CA LEU A 44 -2.994 -15.982 4.926 1.00 0.00 C ATOM 681 C LEU A 44 -3.636 -16.571 3.675 1.00 0.00 C ATOM 682 O LEU A 44 -4.334 -15.875 2.938 1.00 0.00 O ATOM 683 CB LEU A 44 -2.198 -14.727 4.562 1.00 0.00 C ATOM 684 CG LEU A 44 -1.371 -14.106 5.689 1.00 0.00 C ATOM 685 CD1 LEU A 44 -0.348 -13.131 5.125 1.00 0.00 C ATOM 686 CD2 LEU A 44 -2.277 -13.410 6.693 1.00 0.00 C ATOM 0 H LEU A 44 -1.150 -16.913 5.288 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.785 -15.713 5.626 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.527 -14.973 3.739 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.894 -13.974 4.192 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.836 -14.904 6.204 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.231 -12.699 5.941 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.321 -13.658 4.445 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.862 -12.336 4.585 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.672 -12.974 7.488 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.839 -12.622 6.191 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.970 -14.134 7.121 1.00 0.00 H new ATOM 698 N GLN A 45 -3.396 -17.858 3.443 1.00 0.00 N ATOM 699 CA GLN A 45 -3.953 -18.541 2.281 1.00 0.00 C ATOM 700 C GLN A 45 -3.463 -17.901 0.987 1.00 0.00 C ATOM 701 O GLN A 45 -4.167 -17.902 -0.024 1.00 0.00 O ATOM 702 CB GLN A 45 -5.482 -18.513 2.331 1.00 0.00 C ATOM 703 CG GLN A 45 -6.086 -19.672 3.108 1.00 0.00 C ATOM 704 CD GLN A 45 -7.598 -19.596 3.187 1.00 0.00 C ATOM 705 OE1 GLN A 45 -8.261 -19.187 2.233 1.00 0.00 O ATOM 706 NE2 GLN A 45 -8.153 -19.990 4.327 1.00 0.00 N ATOM 0 H GLN A 45 -2.820 -18.448 4.044 1.00 0.00 H new ATOM 0 HA GLN A 45 -3.615 -19.577 2.303 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -5.805 -17.575 2.783 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -5.871 -18.527 1.313 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -5.797 -20.611 2.636 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -5.673 -19.683 4.117 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.566 -20.322 5.092 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -9.167 -19.961 4.438 1.00 0.00 H new ATOM 715 N LEU A 46 -2.253 -17.353 1.024 1.00 0.00 N ATOM 716 CA LEU A 46 -1.668 -16.709 -0.147 1.00 0.00 C ATOM 717 C LEU A 46 -0.547 -17.560 -0.734 1.00 0.00 C ATOM 718 O LEU A 46 -0.225 -18.626 -0.211 1.00 0.00 O ATOM 719 CB LEU A 46 -1.133 -15.324 0.223 1.00 0.00 C ATOM 720 CG LEU A 46 -2.113 -14.396 0.943 1.00 0.00 C ATOM 721 CD1 LEU A 46 -1.361 -13.369 1.775 1.00 0.00 C ATOM 722 CD2 LEU A 46 -3.028 -13.708 -0.058 1.00 0.00 C ATOM 0 H LEU A 46 -1.658 -17.342 1.852 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.449 -16.601 -0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.255 -15.453 0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.799 -14.830 -0.689 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.728 -14.997 1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.074 -12.717 2.280 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.748 -13.880 2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.721 -12.772 1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.719 -13.052 0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.429 -13.120 -0.753 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.593 -14.459 -0.611 1.00 0.00 H new ATOM 734 N SER A 47 0.046 -17.080 -1.822 1.00 0.00 N ATOM 735 CA SER A 47 1.130 -17.797 -2.482 1.00 0.00 C ATOM 736 C SER A 47 2.485 -17.214 -2.089 1.00 0.00 C ATOM 737 O SER A 47 2.620 -16.007 -1.896 1.00 0.00 O ATOM 738 CB SER A 47 0.959 -17.739 -4.001 1.00 0.00 C ATOM 739 OG SER A 47 1.612 -18.829 -4.629 1.00 0.00 O ATOM 0 H SER A 47 -0.206 -16.197 -2.265 1.00 0.00 H new ATOM 0 HA SER A 47 1.093 -18.837 -2.159 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.102 -17.753 -4.252 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.364 -16.801 -4.380 1.00 0.00 H new ATOM 0 HG SER A 47 1.239 -18.961 -5.526 1.00 0.00 H new ATOM 745 N GLU A 48 3.484 -18.083 -1.972 1.00 0.00 N ATOM 746 CA GLU A 48 4.828 -17.655 -1.601 1.00 0.00 C ATOM 747 C GLU A 48 5.314 -16.535 -2.516 1.00 0.00 C ATOM 748 O GLU A 48 6.063 -15.654 -2.093 1.00 0.00 O ATOM 749 CB GLU A 48 5.799 -18.836 -1.663 1.00 0.00 C ATOM 750 CG GLU A 48 5.466 -19.949 -0.684 1.00 0.00 C ATOM 751 CD GLU A 48 4.513 -20.974 -1.267 1.00 0.00 C ATOM 752 OE1 GLU A 48 4.877 -21.615 -2.276 1.00 0.00 O ATOM 753 OE2 GLU A 48 3.405 -21.136 -0.715 1.00 0.00 O ATOM 0 H GLU A 48 3.388 -19.086 -2.128 1.00 0.00 H new ATOM 0 HA GLU A 48 4.792 -17.277 -0.579 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.800 -19.242 -2.675 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.808 -18.477 -1.462 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.387 -20.447 -0.379 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.024 -19.517 0.214 1.00 0.00 H new ATOM 760 N ARG A 49 4.883 -16.576 -3.773 1.00 0.00 N ATOM 761 CA ARG A 49 5.275 -15.566 -4.748 1.00 0.00 C ATOM 762 C ARG A 49 4.566 -14.242 -4.476 1.00 0.00 C ATOM 763 O ARG A 49 5.100 -13.172 -4.764 1.00 0.00 O ATOM 764 CB ARG A 49 4.956 -16.045 -6.166 1.00 0.00 C ATOM 765 CG ARG A 49 3.724 -16.930 -6.247 1.00 0.00 C ATOM 766 CD ARG A 49 3.169 -16.985 -7.662 1.00 0.00 C ATOM 767 NE ARG A 49 1.796 -17.482 -7.693 1.00 0.00 N ATOM 768 CZ ARG A 49 1.235 -18.025 -8.767 1.00 0.00 C ATOM 769 NH1 ARG A 49 1.926 -18.140 -9.893 1.00 0.00 N ATOM 770 NH2 ARG A 49 -0.020 -18.454 -8.717 1.00 0.00 N ATOM 0 H ARG A 49 4.262 -17.298 -4.140 1.00 0.00 H new ATOM 0 HA ARG A 49 6.350 -15.408 -4.657 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.813 -15.177 -6.810 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.813 -16.593 -6.557 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.976 -17.937 -5.914 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.958 -16.552 -5.569 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.204 -15.989 -8.104 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.801 -17.628 -8.274 1.00 0.00 H new ATOM 0 HE ARG A 49 1.237 -17.408 -6.843 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.891 -17.811 -9.935 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.493 -18.557 -10.717 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.555 -18.367 -7.853 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.450 -18.871 -9.543 1.00 0.00 H new ATOM 784 N GLN A 50 3.361 -14.326 -3.920 1.00 0.00 N ATOM 785 CA GLN A 50 2.580 -13.135 -3.611 1.00 0.00 C ATOM 786 C GLN A 50 3.140 -12.419 -2.386 1.00 0.00 C ATOM 787 O GLN A 50 3.134 -11.190 -2.315 1.00 0.00 O ATOM 788 CB GLN A 50 1.115 -13.507 -3.373 1.00 0.00 C ATOM 789 CG GLN A 50 0.373 -13.898 -4.642 1.00 0.00 C ATOM 790 CD GLN A 50 -1.062 -14.306 -4.376 1.00 0.00 C ATOM 791 OE1 GLN A 50 -1.426 -15.473 -4.524 1.00 0.00 O ATOM 792 NE2 GLN A 50 -1.888 -13.344 -3.980 1.00 0.00 N ATOM 0 H GLN A 50 2.906 -15.205 -3.675 1.00 0.00 H new ATOM 0 HA GLN A 50 2.642 -12.460 -4.464 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.069 -14.335 -2.665 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.605 -12.663 -2.909 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.385 -13.060 -5.339 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.897 -14.722 -5.126 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.544 -12.390 -3.870 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.866 -13.559 -3.786 1.00 0.00 H new ATOM 801 N VAL A 51 3.622 -13.197 -1.422 1.00 0.00 N ATOM 802 CA VAL A 51 4.186 -12.638 -0.199 1.00 0.00 C ATOM 803 C VAL A 51 5.599 -12.114 -0.435 1.00 0.00 C ATOM 804 O VAL A 51 6.042 -11.173 0.223 1.00 0.00 O ATOM 805 CB VAL A 51 4.220 -13.682 0.933 1.00 0.00 C ATOM 806 CG1 VAL A 51 4.675 -13.043 2.236 1.00 0.00 C ATOM 807 CG2 VAL A 51 2.855 -14.333 1.097 1.00 0.00 C ATOM 0 H VAL A 51 3.633 -14.216 -1.464 1.00 0.00 H new ATOM 0 HA VAL A 51 3.540 -11.812 0.098 1.00 0.00 H new ATOM 0 HB VAL A 51 4.938 -14.458 0.667 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.693 -13.796 3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.675 -12.628 2.108 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.984 -12.246 2.511 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.897 -15.068 1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.115 -13.570 1.340 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.574 -14.828 0.167 1.00 0.00 H new ATOM 817 N LYS A 52 6.302 -12.730 -1.380 1.00 0.00 N ATOM 818 CA LYS A 52 7.664 -12.326 -1.706 1.00 0.00 C ATOM 819 C LYS A 52 7.667 -11.073 -2.575 1.00 0.00 C ATOM 820 O LYS A 52 8.556 -10.228 -2.462 1.00 0.00 O ATOM 821 CB LYS A 52 8.396 -13.461 -2.426 1.00 0.00 C ATOM 822 CG LYS A 52 8.245 -13.419 -3.937 1.00 0.00 C ATOM 823 CD LYS A 52 9.260 -12.484 -4.573 1.00 0.00 C ATOM 824 CE LYS A 52 9.626 -12.933 -5.980 1.00 0.00 C ATOM 825 NZ LYS A 52 10.358 -11.873 -6.727 1.00 0.00 N ATOM 0 H LYS A 52 5.950 -13.511 -1.933 1.00 0.00 H new ATOM 0 HA LYS A 52 8.182 -12.101 -0.774 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.455 -13.417 -2.174 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.020 -14.416 -2.058 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.368 -14.423 -4.344 1.00 0.00 H new ATOM 0 HG3 LYS A 52 7.237 -13.093 -4.194 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.854 -11.473 -4.607 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.158 -12.447 -3.957 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.242 -13.831 -5.926 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.720 -13.200 -6.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.590 -12.217 -7.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 9.761 -11.025 -6.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.236 -11.636 -6.222 1.00 0.00 H new ATOM 839 N THR A 53 6.666 -10.957 -3.442 1.00 0.00 N ATOM 840 CA THR A 53 6.553 -9.806 -4.329 1.00 0.00 C ATOM 841 C THR A 53 5.905 -8.624 -3.618 1.00 0.00 C ATOM 842 O THR A 53 6.455 -7.523 -3.598 1.00 0.00 O ATOM 843 CB THR A 53 5.732 -10.146 -5.588 1.00 0.00 C ATOM 844 OG1 THR A 53 6.526 -10.915 -6.498 1.00 0.00 O ATOM 845 CG2 THR A 53 5.247 -8.879 -6.275 1.00 0.00 C ATOM 0 H THR A 53 5.922 -11.646 -3.549 1.00 0.00 H new ATOM 0 HA THR A 53 7.566 -9.536 -4.626 1.00 0.00 H new ATOM 0 HB THR A 53 4.864 -10.730 -5.282 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.996 -11.128 -7.294 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.670 -9.144 -7.161 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.619 -8.311 -5.589 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.104 -8.273 -6.568 1.00 0.00 H new ATOM 853 N TRP A 54 4.736 -8.859 -3.034 1.00 0.00 N ATOM 854 CA TRP A 54 4.014 -7.813 -2.320 1.00 0.00 C ATOM 855 C TRP A 54 4.968 -6.964 -1.488 1.00 0.00 C ATOM 856 O TRP A 54 5.014 -5.742 -1.632 1.00 0.00 O ATOM 857 CB TRP A 54 2.941 -8.428 -1.420 1.00 0.00 C ATOM 858 CG TRP A 54 2.056 -7.408 -0.769 1.00 0.00 C ATOM 859 CD1 TRP A 54 0.844 -6.968 -1.219 1.00 0.00 C ATOM 860 CD2 TRP A 54 2.315 -6.701 0.449 1.00 0.00 C ATOM 861 NE1 TRP A 54 0.334 -6.029 -0.354 1.00 0.00 N ATOM 862 CE2 TRP A 54 1.217 -5.849 0.677 1.00 0.00 C ATOM 863 CE3 TRP A 54 3.366 -6.706 1.369 1.00 0.00 C ATOM 864 CZ2 TRP A 54 1.144 -5.011 1.787 1.00 0.00 C ATOM 865 CZ3 TRP A 54 3.292 -5.874 2.470 1.00 0.00 C ATOM 866 CH2 TRP A 54 2.187 -5.036 2.672 1.00 0.00 C ATOM 0 H TRP A 54 4.268 -9.765 -3.041 1.00 0.00 H new ATOM 0 HA TRP A 54 3.534 -7.169 -3.057 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.327 -9.107 -2.011 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.424 -9.026 -0.647 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.358 -7.308 -2.122 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.557 -5.545 -0.463 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.221 -7.349 1.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.294 -4.364 1.944 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 4.100 -5.870 3.187 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.158 -4.398 3.543 1.00 0.00 H new ATOM 877 N PHE A 55 5.729 -7.618 -0.617 1.00 0.00 N ATOM 878 CA PHE A 55 6.682 -6.922 0.239 1.00 0.00 C ATOM 879 C PHE A 55 7.602 -6.027 -0.586 1.00 0.00 C ATOM 880 O PHE A 55 7.640 -4.812 -0.393 1.00 0.00 O ATOM 881 CB PHE A 55 7.513 -7.929 1.037 1.00 0.00 C ATOM 882 CG PHE A 55 6.807 -8.460 2.252 1.00 0.00 C ATOM 883 CD1 PHE A 55 5.624 -9.170 2.127 1.00 0.00 C ATOM 884 CD2 PHE A 55 7.326 -8.249 3.519 1.00 0.00 C ATOM 885 CE1 PHE A 55 4.971 -9.660 3.242 1.00 0.00 C ATOM 886 CE2 PHE A 55 6.678 -8.737 4.638 1.00 0.00 C ATOM 887 CZ PHE A 55 5.499 -9.442 4.500 1.00 0.00 C ATOM 0 H PHE A 55 5.704 -8.629 -0.485 1.00 0.00 H new ATOM 0 HA PHE A 55 6.120 -6.295 0.931 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.780 -8.763 0.388 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.445 -7.455 1.346 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.207 -9.343 1.146 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.247 -7.697 3.634 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.050 -10.212 3.130 1.00 0.00 H new ATOM 0 HE2 PHE A 55 7.094 -8.567 5.620 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.991 -9.822 5.374 1.00 0.00 H new ATOM 897 N GLN A 56 8.343 -6.638 -1.506 1.00 0.00 N ATOM 898 CA GLN A 56 9.264 -5.897 -2.359 1.00 0.00 C ATOM 899 C GLN A 56 8.686 -4.535 -2.730 1.00 0.00 C ATOM 900 O GLN A 56 9.298 -3.500 -2.471 1.00 0.00 O ATOM 901 CB GLN A 56 9.572 -6.696 -3.627 1.00 0.00 C ATOM 902 CG GLN A 56 10.761 -7.632 -3.482 1.00 0.00 C ATOM 903 CD GLN A 56 11.463 -7.892 -4.801 1.00 0.00 C ATOM 904 OE1 GLN A 56 10.822 -8.010 -5.846 1.00 0.00 O ATOM 905 NE2 GLN A 56 12.787 -7.983 -4.759 1.00 0.00 N ATOM 0 H GLN A 56 8.323 -7.643 -1.679 1.00 0.00 H new ATOM 0 HA GLN A 56 10.188 -5.740 -1.803 1.00 0.00 H new ATOM 0 HB2 GLN A 56 8.693 -7.279 -3.902 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.764 -6.003 -4.446 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.471 -7.204 -2.775 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.424 -8.579 -3.061 1.00 0.00 H new ATOM 0 HE21 GLN A 56 13.277 -7.879 -3.871 1.00 0.00 H new ATOM 0 HE22 GLN A 56 13.314 -8.157 -5.615 1.00 0.00 H new ATOM 914 N ASN A 57 7.505 -4.545 -3.339 1.00 0.00 N ATOM 915 CA ASN A 57 6.845 -3.310 -3.747 1.00 0.00 C ATOM 916 C ASN A 57 6.541 -2.431 -2.538 1.00 0.00 C ATOM 917 O ASN A 57 6.707 -1.212 -2.586 1.00 0.00 O ATOM 918 CB ASN A 57 5.552 -3.623 -4.502 1.00 0.00 C ATOM 919 CG ASN A 57 5.691 -4.829 -5.412 1.00 0.00 C ATOM 920 OD1 ASN A 57 6.749 -5.060 -5.997 1.00 0.00 O ATOM 921 ND2 ASN A 57 4.620 -5.604 -5.535 1.00 0.00 N ATOM 0 H ASN A 57 6.985 -5.394 -3.561 1.00 0.00 H new ATOM 0 HA ASN A 57 7.521 -2.767 -4.408 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.750 -3.802 -3.785 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.261 -2.756 -5.095 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.654 -6.429 -6.133 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.764 -5.374 -5.031 1.00 0.00 H new ATOM 928 N ARG A 58 6.094 -3.058 -1.454 1.00 0.00 N ATOM 929 CA ARG A 58 5.766 -2.333 -0.233 1.00 0.00 C ATOM 930 C ARG A 58 6.941 -1.472 0.221 1.00 0.00 C ATOM 931 O ARG A 58 6.758 -0.334 0.654 1.00 0.00 O ATOM 932 CB ARG A 58 5.380 -3.312 0.878 1.00 0.00 C ATOM 933 CG ARG A 58 5.009 -2.633 2.186 1.00 0.00 C ATOM 934 CD ARG A 58 3.707 -1.857 2.062 1.00 0.00 C ATOM 935 NE ARG A 58 3.531 -0.904 3.155 1.00 0.00 N ATOM 936 CZ ARG A 58 2.623 0.066 3.145 1.00 0.00 C ATOM 937 NH1 ARG A 58 1.814 0.211 2.105 1.00 0.00 N ATOM 938 NH2 ARG A 58 2.524 0.893 4.177 1.00 0.00 N ATOM 0 H ARG A 58 5.951 -4.066 -1.397 1.00 0.00 H new ATOM 0 HA ARG A 58 4.919 -1.680 -0.445 1.00 0.00 H new ATOM 0 HB2 ARG A 58 4.538 -3.917 0.541 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.212 -3.994 1.055 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.914 -3.382 2.972 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.810 -1.957 2.486 1.00 0.00 H new ATOM 0 HD2 ARG A 58 3.692 -1.325 1.111 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.869 -2.554 2.051 1.00 0.00 H new ATOM 0 HE ARG A 58 4.138 -0.988 3.970 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.887 -0.423 1.309 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.118 0.957 2.100 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.145 0.785 4.979 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.827 1.638 4.169 1.00 0.00 H new ATOM 952 N ARG A 59 8.146 -2.022 0.117 1.00 0.00 N ATOM 953 CA ARG A 59 9.351 -1.304 0.518 1.00 0.00 C ATOM 954 C ARG A 59 9.599 -0.107 -0.394 1.00 0.00 C ATOM 955 O ARG A 59 9.883 0.995 0.075 1.00 0.00 O ATOM 956 CB ARG A 59 10.561 -2.240 0.489 1.00 0.00 C ATOM 957 CG ARG A 59 11.636 -1.876 1.500 1.00 0.00 C ATOM 958 CD ARG A 59 12.983 -2.470 1.119 1.00 0.00 C ATOM 959 NE ARG A 59 14.070 -1.926 1.929 1.00 0.00 N ATOM 960 CZ ARG A 59 15.356 -2.100 1.645 1.00 0.00 C ATOM 961 NH1 ARG A 59 15.714 -2.799 0.577 1.00 0.00 N ATOM 962 NH2 ARG A 59 16.287 -1.574 2.431 1.00 0.00 N ATOM 0 H ARG A 59 8.315 -2.962 -0.241 1.00 0.00 H new ATOM 0 HA ARG A 59 9.206 -0.940 1.535 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.226 -3.260 0.679 1.00 0.00 H new ATOM 0 HB3 ARG A 59 10.995 -2.228 -0.511 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.721 -0.791 1.567 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.345 -2.235 2.487 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.949 -3.553 1.239 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.182 -2.272 0.066 1.00 0.00 H new ATOM 0 HE ARG A 59 13.828 -1.383 2.758 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.001 -3.205 -0.029 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.702 -2.931 0.362 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.015 -1.036 3.254 1.00 0.00 H new ATOM 0 HH22 ARG A 59 17.274 -1.708 2.212 1.00 0.00 H new ATOM 976 N ALA A 60 9.490 -0.331 -1.700 1.00 0.00 N ATOM 977 CA ALA A 60 9.701 0.729 -2.677 1.00 0.00 C ATOM 978 C ALA A 60 8.926 1.987 -2.299 1.00 0.00 C ATOM 979 O ALA A 60 9.341 3.103 -2.612 1.00 0.00 O ATOM 980 CB ALA A 60 9.296 0.255 -4.065 1.00 0.00 C ATOM 0 H ALA A 60 9.257 -1.238 -2.105 1.00 0.00 H new ATOM 0 HA ALA A 60 10.763 0.976 -2.684 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.459 1.057 -4.785 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.897 -0.611 -4.344 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.242 -0.021 -4.062 1.00 0.00 H new ATOM 986 N LYS A 61 7.796 1.800 -1.625 1.00 0.00 N ATOM 987 CA LYS A 61 6.962 2.919 -1.202 1.00 0.00 C ATOM 988 C LYS A 61 7.418 3.457 0.150 1.00 0.00 C ATOM 989 O LYS A 61 7.490 4.669 0.354 1.00 0.00 O ATOM 990 CB LYS A 61 5.496 2.487 -1.124 1.00 0.00 C ATOM 991 CG LYS A 61 4.530 3.645 -0.940 1.00 0.00 C ATOM 992 CD LYS A 61 3.157 3.162 -0.504 1.00 0.00 C ATOM 993 CE LYS A 61 2.313 4.303 0.044 1.00 0.00 C ATOM 994 NZ LYS A 61 1.235 3.812 0.946 1.00 0.00 N ATOM 0 H LYS A 61 7.437 0.883 -1.360 1.00 0.00 H new ATOM 0 HA LYS A 61 7.061 3.714 -1.941 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.236 1.949 -2.035 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.375 1.789 -0.296 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.927 4.336 -0.196 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.442 4.199 -1.875 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.646 2.704 -1.350 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.267 2.390 0.258 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.952 4.999 0.587 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.870 4.857 -0.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.683 4.620 1.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.610 3.168 0.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.659 3.305 1.749 1.00 0.00 H new ATOM 1008 N TRP A 62 7.724 2.549 1.070 1.00 0.00 N ATOM 1009 CA TRP A 62 8.174 2.934 2.403 1.00 0.00 C ATOM 1010 C TRP A 62 9.509 3.668 2.336 1.00 0.00 C ATOM 1011 O TRP A 62 9.830 4.472 3.211 1.00 0.00 O ATOM 1012 CB TRP A 62 8.302 1.699 3.297 1.00 0.00 C ATOM 1013 CG TRP A 62 9.151 1.929 4.510 1.00 0.00 C ATOM 1014 CD1 TRP A 62 8.752 2.468 5.700 1.00 0.00 C ATOM 1015 CD2 TRP A 62 10.544 1.629 4.651 1.00 0.00 C ATOM 1016 NE1 TRP A 62 9.813 2.521 6.571 1.00 0.00 N ATOM 1017 CE2 TRP A 62 10.923 2.011 5.952 1.00 0.00 C ATOM 1018 CE3 TRP A 62 11.507 1.072 3.805 1.00 0.00 C ATOM 1019 CZ2 TRP A 62 12.224 1.855 6.424 1.00 0.00 C ATOM 1020 CZ3 TRP A 62 12.797 0.918 4.275 1.00 0.00 C ATOM 1021 CH2 TRP A 62 13.146 1.307 5.575 1.00 0.00 C ATOM 0 H TRP A 62 7.669 1.542 0.918 1.00 0.00 H new ATOM 0 HA TRP A 62 7.431 3.608 2.830 1.00 0.00 H new ATOM 0 HB2 TRP A 62 7.308 1.383 3.613 1.00 0.00 H new ATOM 0 HB3 TRP A 62 8.726 0.881 2.715 1.00 0.00 H new ATOM 0 HD1 TRP A 62 7.750 2.803 5.923 1.00 0.00 H new ATOM 0 HE1 TRP A 62 9.779 2.882 7.524 1.00 0.00 H new ATOM 0 HE3 TRP A 62 11.247 0.767 2.802 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 12.495 2.156 7.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 13.550 0.490 3.629 1.00 0.00 H new ATOM 0 HH2 TRP A 62 14.163 1.172 5.913 1.00 0.00 H new ATOM 1032 N ARG A 63 10.283 3.387 1.292 1.00 0.00 N ATOM 1033 CA ARG A 63 11.583 4.020 1.113 1.00 0.00 C ATOM 1034 C ARG A 63 11.424 5.478 0.689 1.00 0.00 C ATOM 1035 O ARG A 63 12.123 6.359 1.189 1.00 0.00 O ATOM 1036 CB ARG A 63 12.404 3.261 0.069 1.00 0.00 C ATOM 1037 CG ARG A 63 13.252 2.144 0.655 1.00 0.00 C ATOM 1038 CD ARG A 63 13.632 1.120 -0.403 1.00 0.00 C ATOM 1039 NE ARG A 63 14.558 1.670 -1.389 1.00 0.00 N ATOM 1040 CZ ARG A 63 14.755 1.137 -2.590 1.00 0.00 C ATOM 1041 NH1 ARG A 63 14.094 0.046 -2.951 1.00 0.00 N ATOM 1042 NH2 ARG A 63 15.615 1.695 -3.432 1.00 0.00 N ATOM 0 H ARG A 63 10.031 2.725 0.558 1.00 0.00 H new ATOM 0 HA ARG A 63 12.107 3.992 2.068 1.00 0.00 H new ATOM 0 HB2 ARG A 63 11.729 2.840 -0.676 1.00 0.00 H new ATOM 0 HB3 ARG A 63 13.054 3.965 -0.451 1.00 0.00 H new ATOM 0 HG2 ARG A 63 14.155 2.565 1.097 1.00 0.00 H new ATOM 0 HG3 ARG A 63 12.703 1.652 1.458 1.00 0.00 H new ATOM 0 HD2 ARG A 63 14.087 0.254 0.078 1.00 0.00 H new ATOM 0 HD3 ARG A 63 12.732 0.769 -0.907 1.00 0.00 H new ATOM 0 HE ARG A 63 15.082 2.509 -1.142 1.00 0.00 H new ATOM 0 HH11 ARG A 63 13.432 -0.386 -2.306 1.00 0.00 H new ATOM 0 HH12 ARG A 63 14.247 -0.361 -3.874 1.00 0.00 H new ATOM 0 HH21 ARG A 63 16.126 2.534 -3.158 1.00 0.00 H new ATOM 0 HH22 ARG A 63 15.765 1.285 -4.354 1.00 0.00 H new ATOM 1056 N ARG A 64 10.501 5.723 -0.235 1.00 0.00 N ATOM 1057 CA ARG A 64 10.251 7.072 -0.727 1.00 0.00 C ATOM 1058 C ARG A 64 9.930 8.020 0.425 1.00 0.00 C ATOM 1059 O ARG A 64 10.449 9.134 0.489 1.00 0.00 O ATOM 1060 CB ARG A 64 9.099 7.066 -1.733 1.00 0.00 C ATOM 1061 CG ARG A 64 9.536 6.764 -3.157 1.00 0.00 C ATOM 1062 CD ARG A 64 10.213 7.965 -3.799 1.00 0.00 C ATOM 1063 NE ARG A 64 9.255 8.834 -4.478 1.00 0.00 N ATOM 1064 CZ ARG A 64 9.593 9.695 -5.432 1.00 0.00 C ATOM 1065 NH1 ARG A 64 10.857 9.801 -5.817 1.00 0.00 N ATOM 1066 NH2 ARG A 64 8.664 10.452 -6.002 1.00 0.00 N ATOM 0 H ARG A 64 9.914 5.004 -0.658 1.00 0.00 H new ATOM 0 HA ARG A 64 11.155 7.424 -1.223 1.00 0.00 H new ATOM 0 HB2 ARG A 64 8.361 6.326 -1.424 1.00 0.00 H new ATOM 0 HB3 ARG A 64 8.604 8.037 -1.712 1.00 0.00 H new ATOM 0 HG2 ARG A 64 10.221 5.916 -3.156 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.669 6.473 -3.751 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.741 8.535 -3.035 1.00 0.00 H new ATOM 0 HD3 ARG A 64 10.961 7.621 -4.514 1.00 0.00 H new ATOM 0 HE ARG A 64 8.274 8.777 -4.205 1.00 0.00 H new ATOM 0 HH11 ARG A 64 11.573 9.221 -5.381 1.00 0.00 H new ATOM 0 HH12 ARG A 64 11.113 10.463 -6.550 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.691 10.373 -5.708 1.00 0.00 H new ATOM 0 HH22 ARG A 64 8.923 11.113 -6.734 1.00 0.00 H new ATOM 1080 N SER A 65 9.070 7.569 1.333 1.00 0.00 N ATOM 1081 CA SER A 65 8.676 8.379 2.480 1.00 0.00 C ATOM 1082 C SER A 65 9.818 8.488 3.486 1.00 0.00 C ATOM 1083 O SER A 65 10.059 9.551 4.056 1.00 0.00 O ATOM 1084 CB SER A 65 7.442 7.777 3.156 1.00 0.00 C ATOM 1085 OG SER A 65 6.289 7.938 2.348 1.00 0.00 O ATOM 0 H SER A 65 8.633 6.648 1.297 1.00 0.00 H new ATOM 0 HA SER A 65 8.434 9.379 2.121 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.610 6.717 3.349 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.283 8.256 4.122 1.00 0.00 H new ATOM 0 HG SER A 65 5.514 7.544 2.801 1.00 0.00 H new ATOM 1091 N GLY A 66 10.519 7.378 3.699 1.00 0.00 N ATOM 1092 CA GLY A 66 11.627 7.369 4.636 1.00 0.00 C ATOM 1093 C GLY A 66 12.661 8.432 4.322 1.00 0.00 C ATOM 1094 O GLY A 66 12.795 8.880 3.183 1.00 0.00 O ATOM 0 H GLY A 66 10.339 6.485 3.239 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.246 7.524 5.646 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.103 6.388 4.622 1.00 0.00 H new ATOM 1098 N PRO A 67 13.414 8.852 5.349 1.00 0.00 N ATOM 1099 CA PRO A 67 14.454 9.875 5.201 1.00 0.00 C ATOM 1100 C PRO A 67 15.651 9.373 4.401 1.00 0.00 C ATOM 1101 O PRO A 67 16.486 10.161 3.955 1.00 0.00 O ATOM 1102 CB PRO A 67 14.864 10.176 6.645 1.00 0.00 C ATOM 1103 CG PRO A 67 14.529 8.936 7.400 1.00 0.00 C ATOM 1104 CD PRO A 67 13.309 8.362 6.733 1.00 0.00 C ATOM 0 HA PRO A 67 14.093 10.747 4.655 1.00 0.00 H new ATOM 0 HB2 PRO A 67 15.927 10.407 6.715 1.00 0.00 H new ATOM 0 HB3 PRO A 67 14.324 11.037 7.039 1.00 0.00 H new ATOM 0 HG2 PRO A 67 15.357 8.228 7.375 1.00 0.00 H new ATOM 0 HG3 PRO A 67 14.332 9.159 8.449 1.00 0.00 H new ATOM 0 HD2 PRO A 67 13.304 7.273 6.774 1.00 0.00 H new ATOM 0 HD3 PRO A 67 12.391 8.704 7.212 1.00 0.00 H new ATOM 1112 N SER A 68 15.729 8.058 4.223 1.00 0.00 N ATOM 1113 CA SER A 68 16.826 7.451 3.479 1.00 0.00 C ATOM 1114 C SER A 68 18.152 8.126 3.819 1.00 0.00 C ATOM 1115 O SER A 68 18.910 8.513 2.930 1.00 0.00 O ATOM 1116 CB SER A 68 16.564 7.546 1.974 1.00 0.00 C ATOM 1117 OG SER A 68 15.787 6.450 1.522 1.00 0.00 O ATOM 0 H SER A 68 15.045 7.393 4.584 1.00 0.00 H new ATOM 0 HA SER A 68 16.889 6.401 3.764 1.00 0.00 H new ATOM 0 HB2 SER A 68 16.047 8.479 1.750 1.00 0.00 H new ATOM 0 HB3 SER A 68 17.512 7.570 1.437 1.00 0.00 H new ATOM 0 HG SER A 68 15.632 6.534 0.558 1.00 0.00 H new ATOM 1123 N SER A 69 18.424 8.263 5.113 1.00 0.00 N ATOM 1124 CA SER A 69 19.655 8.894 5.572 1.00 0.00 C ATOM 1125 C SER A 69 19.907 10.201 4.826 1.00 0.00 C ATOM 1126 O SER A 69 21.023 10.471 4.384 1.00 0.00 O ATOM 1127 CB SER A 69 20.841 7.947 5.380 1.00 0.00 C ATOM 1128 OG SER A 69 20.845 6.928 6.365 1.00 0.00 O ATOM 0 H SER A 69 17.808 7.945 5.862 1.00 0.00 H new ATOM 0 HA SER A 69 19.546 9.117 6.633 1.00 0.00 H new ATOM 0 HB2 SER A 69 20.795 7.498 4.388 1.00 0.00 H new ATOM 0 HB3 SER A 69 21.773 8.511 5.432 1.00 0.00 H new ATOM 0 HG SER A 69 21.612 6.335 6.219 1.00 0.00 H new ATOM 1134 N GLY A 70 18.860 11.009 4.691 1.00 0.00 N ATOM 1135 CA GLY A 70 18.988 12.278 3.998 1.00 0.00 C ATOM 1136 C GLY A 70 18.122 13.362 4.610 1.00 0.00 C ATOM 1137 O GLY A 70 16.970 13.542 4.216 1.00 0.00 O ATOM 0 H GLY A 70 17.926 10.808 5.049 1.00 0.00 H new ATOM 0 HA2 GLY A 70 20.030 12.596 4.017 1.00 0.00 H new ATOM 0 HA3 GLY A 70 18.714 12.146 2.951 1.00 0.00 H new TER 1141 GLY A 70