USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 598 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 68 SER OG : rot -53:sc= 0.757 USER MOD Set 1.2: A 69 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 1 GLU N :NH3+ -163:sc= -0.047 (180deg=-0.471) USER MOD Single : A 2 SER OG : rot 180:sc= -0.351 USER MOD Single : A 4 LYS NZ :NH3+ 155:sc= -0.0418 (180deg=-0.337) USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 15 SER OG : rot 180:sc=-0.00596 USER MOD Single : A 17 GLN : amide:sc= -0.022 K(o=-0.022,f=-1.5!) USER MOD Single : A 37 SER OG : rot 180:sc= -0.77 USER MOD Single : A 40 CYS SG : rot 180:sc= -1.05 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN :FLIP amide:sc= 0.0147 F(o=-0.87,f=0.015) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 47 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 48 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.0443 USER MOD Single : A 59 THR OG1 : rot -60:sc= -0.0156 USER MOD Single : A 62 SER OG : rot 110:sc= 0.472 USER MOD Single : A 63 SER OG : rot -97:sc= 1.19 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -13.657 -27.210 -11.337 1.00 0.00 N ATOM 2 CA GLU A 1 -13.276 -25.935 -10.666 1.00 0.00 C ATOM 3 C GLU A 1 -13.817 -25.934 -9.239 1.00 0.00 C ATOM 4 O GLU A 1 -14.903 -25.417 -8.980 1.00 0.00 O ATOM 5 CB GLU A 1 -13.862 -24.756 -11.446 1.00 0.00 C ATOM 6 CG GLU A 1 -13.248 -24.714 -12.847 1.00 0.00 C ATOM 7 CD GLU A 1 -13.769 -23.499 -13.607 1.00 0.00 C ATOM 8 OE1 GLU A 1 -14.669 -22.851 -13.100 1.00 0.00 O ATOM 9 OE2 GLU A 1 -13.259 -23.234 -14.682 1.00 0.00 O ATOM 0 H1 GLU A 1 -13.067 -27.348 -12.182 1.00 0.00 H new ATOM 0 H2 GLU A 1 -13.513 -28.004 -10.681 1.00 0.00 H new ATOM 0 H3 GLU A 1 -14.658 -27.169 -11.617 1.00 0.00 H new ATOM 0 HA GLU A 1 -12.190 -25.843 -10.639 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -14.945 -24.855 -11.515 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -13.660 -23.823 -10.921 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -12.161 -24.670 -12.776 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -13.496 -25.626 -13.389 1.00 0.00 H new ATOM 18 N SER A 2 -13.053 -26.516 -8.319 1.00 0.00 N ATOM 19 CA SER A 2 -13.468 -26.575 -6.921 1.00 0.00 C ATOM 20 C SER A 2 -12.287 -26.273 -5.998 1.00 0.00 C ATOM 21 O SER A 2 -11.131 -26.342 -6.416 1.00 0.00 O ATOM 22 CB SER A 2 -14.027 -27.962 -6.605 1.00 0.00 C ATOM 23 OG SER A 2 -15.393 -27.844 -6.229 1.00 0.00 O ATOM 0 H SER A 2 -12.151 -26.950 -8.514 1.00 0.00 H new ATOM 0 HA SER A 2 -14.242 -25.825 -6.756 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.932 -28.612 -7.475 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.455 -28.422 -5.800 1.00 0.00 H new ATOM 0 HG SER A 2 -15.755 -28.732 -6.027 1.00 0.00 H new ATOM 29 N PRO A 3 -12.556 -25.944 -4.759 1.00 0.00 N ATOM 30 CA PRO A 3 -11.490 -25.629 -3.763 1.00 0.00 C ATOM 31 C PRO A 3 -10.685 -26.865 -3.370 1.00 0.00 C ATOM 32 O PRO A 3 -9.612 -26.755 -2.776 1.00 0.00 O ATOM 33 CB PRO A 3 -12.260 -25.075 -2.563 1.00 0.00 C ATOM 34 CG PRO A 3 -13.636 -25.638 -2.679 1.00 0.00 C ATOM 35 CD PRO A 3 -13.902 -25.838 -4.170 1.00 0.00 C ATOM 0 HA PRO A 3 -10.756 -24.929 -4.161 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.792 -25.373 -1.625 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.279 -23.985 -2.578 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -13.714 -26.583 -2.141 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -14.370 -24.961 -2.242 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.490 -26.737 -4.354 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.458 -25.001 -4.592 1.00 0.00 H new ATOM 43 N LYS A 4 -11.211 -28.039 -3.702 1.00 0.00 N ATOM 44 CA LYS A 4 -10.531 -29.287 -3.374 1.00 0.00 C ATOM 45 C LYS A 4 -9.336 -29.503 -4.297 1.00 0.00 C ATOM 46 O LYS A 4 -8.346 -30.124 -3.911 1.00 0.00 O ATOM 47 CB LYS A 4 -11.500 -30.465 -3.510 1.00 0.00 C ATOM 48 CG LYS A 4 -12.794 -30.160 -2.751 1.00 0.00 C ATOM 49 CD LYS A 4 -12.490 -29.978 -1.261 1.00 0.00 C ATOM 50 CE LYS A 4 -13.765 -30.216 -0.448 1.00 0.00 C ATOM 51 NZ LYS A 4 -14.077 -31.674 -0.429 1.00 0.00 N ATOM 0 H LYS A 4 -12.098 -28.153 -4.193 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.178 -29.225 -2.345 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -11.719 -30.649 -4.562 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -11.042 -31.372 -3.117 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -13.257 -29.257 -3.150 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -13.508 -30.972 -2.890 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.712 -30.675 -0.950 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -12.110 -28.973 -1.076 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.634 -29.848 0.570 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -14.596 -29.661 -0.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.642 -31.897 0.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -14.616 -31.925 -1.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.191 -32.218 -0.407 1.00 0.00 H new ATOM 65 N GLU A 5 -9.434 -28.985 -5.517 1.00 0.00 N ATOM 66 CA GLU A 5 -8.353 -29.126 -6.484 1.00 0.00 C ATOM 67 C GLU A 5 -7.080 -28.475 -5.954 1.00 0.00 C ATOM 68 O GLU A 5 -5.973 -28.948 -6.213 1.00 0.00 O ATOM 69 CB GLU A 5 -8.750 -28.473 -7.810 1.00 0.00 C ATOM 70 CG GLU A 5 -9.969 -29.191 -8.395 1.00 0.00 C ATOM 71 CD GLU A 5 -9.597 -30.615 -8.795 1.00 0.00 C ATOM 72 OE1 GLU A 5 -8.413 -30.893 -8.890 1.00 0.00 O ATOM 73 OE2 GLU A 5 -10.502 -31.407 -8.998 1.00 0.00 O ATOM 0 H GLU A 5 -10.245 -28.468 -5.857 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.167 -30.188 -6.646 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.978 -27.419 -7.653 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.918 -28.518 -8.512 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -10.776 -29.210 -7.662 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.340 -28.646 -9.263 1.00 0.00 H new ATOM 80 N HIS A 6 -7.247 -27.389 -5.204 1.00 0.00 N ATOM 81 CA HIS A 6 -6.106 -26.681 -4.636 1.00 0.00 C ATOM 82 C HIS A 6 -5.644 -27.360 -3.351 1.00 0.00 C ATOM 83 O HIS A 6 -4.999 -26.741 -2.504 1.00 0.00 O ATOM 84 CB HIS A 6 -6.488 -25.229 -4.342 1.00 0.00 C ATOM 85 CG HIS A 6 -6.890 -24.548 -5.623 1.00 0.00 C ATOM 86 ND1 HIS A 6 -8.209 -24.477 -6.041 1.00 0.00 N ATOM 87 CD2 HIS A 6 -6.155 -23.903 -6.588 1.00 0.00 C ATOM 88 CE1 HIS A 6 -8.228 -23.813 -7.211 1.00 0.00 C ATOM 89 NE2 HIS A 6 -7.002 -23.440 -7.590 1.00 0.00 N ATOM 0 H HIS A 6 -8.155 -26.983 -4.977 1.00 0.00 H new ATOM 0 HA HIS A 6 -5.290 -26.701 -5.358 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -7.309 -25.195 -3.626 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -5.647 -24.705 -3.887 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -5.083 -23.775 -6.571 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -9.125 -23.606 -7.775 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -6.743 -22.926 -8.432 1.00 0.00 H new ATOM 98 N ASP A 7 -5.981 -28.639 -3.214 1.00 0.00 N ATOM 99 CA ASP A 7 -5.599 -29.399 -2.030 1.00 0.00 C ATOM 100 C ASP A 7 -4.115 -29.216 -1.703 1.00 0.00 C ATOM 101 O ASP A 7 -3.770 -28.891 -0.566 1.00 0.00 O ATOM 102 CB ASP A 7 -5.903 -30.884 -2.235 1.00 0.00 C ATOM 103 CG ASP A 7 -6.986 -31.334 -1.260 1.00 0.00 C ATOM 104 OD1 ASP A 7 -8.149 -31.100 -1.548 1.00 0.00 O ATOM 105 OD2 ASP A 7 -6.638 -31.902 -0.240 1.00 0.00 O ATOM 0 H ASP A 7 -6.515 -29.168 -3.904 1.00 0.00 H new ATOM 0 HA ASP A 7 -6.182 -29.021 -1.190 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -6.230 -31.059 -3.260 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.998 -31.473 -2.084 1.00 0.00 H new ATOM 110 N PRO A 8 -3.232 -29.416 -2.654 1.00 0.00 N ATOM 111 CA PRO A 8 -1.770 -29.266 -2.415 1.00 0.00 C ATOM 112 C PRO A 8 -1.329 -27.804 -2.431 1.00 0.00 C ATOM 113 O PRO A 8 -0.826 -27.310 -3.440 1.00 0.00 O ATOM 114 CB PRO A 8 -1.136 -30.051 -3.562 1.00 0.00 C ATOM 115 CG PRO A 8 -2.126 -30.003 -4.678 1.00 0.00 C ATOM 116 CD PRO A 8 -3.512 -29.805 -4.052 1.00 0.00 C ATOM 0 HA PRO A 8 -1.473 -29.632 -1.432 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.186 -29.608 -3.862 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.929 -31.079 -3.266 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.894 -29.187 -5.363 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.095 -30.925 -5.259 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.077 -29.033 -4.574 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.104 -30.719 -4.099 1.00 0.00 H new ATOM 124 N PHE A 9 -1.521 -27.125 -1.302 1.00 0.00 N ATOM 125 CA PHE A 9 -1.142 -25.721 -1.181 1.00 0.00 C ATOM 126 C PHE A 9 0.054 -25.569 -0.248 1.00 0.00 C ATOM 127 O PHE A 9 0.111 -26.195 0.810 1.00 0.00 O ATOM 128 CB PHE A 9 -2.319 -24.909 -0.636 1.00 0.00 C ATOM 129 CG PHE A 9 -2.771 -25.501 0.677 1.00 0.00 C ATOM 130 CD1 PHE A 9 -2.094 -25.180 1.860 1.00 0.00 C ATOM 131 CD2 PHE A 9 -3.865 -26.374 0.713 1.00 0.00 C ATOM 132 CE1 PHE A 9 -2.512 -25.730 3.078 1.00 0.00 C ATOM 133 CE2 PHE A 9 -4.283 -26.925 1.930 1.00 0.00 C ATOM 134 CZ PHE A 9 -3.607 -26.603 3.112 1.00 0.00 C ATOM 0 H PHE A 9 -1.936 -27.524 -0.460 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.869 -25.351 -2.169 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.024 -23.869 -0.496 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.141 -24.914 -1.352 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.249 -24.508 1.833 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.387 -26.623 -0.199 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.991 -25.481 3.991 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.127 -27.598 1.957 1.00 0.00 H new ATOM 0 HZ PHE A 9 -3.930 -27.028 4.051 1.00 0.00 H new ATOM 144 N THR A 10 1.009 -24.735 -0.646 1.00 0.00 N ATOM 145 CA THR A 10 2.198 -24.511 0.167 1.00 0.00 C ATOM 146 C THR A 10 1.871 -23.624 1.365 1.00 0.00 C ATOM 147 O THR A 10 2.308 -23.892 2.485 1.00 0.00 O ATOM 148 CB THR A 10 3.289 -23.850 -0.677 1.00 0.00 C ATOM 149 OG1 THR A 10 3.372 -24.505 -1.935 1.00 0.00 O ATOM 150 CG2 THR A 10 4.631 -23.961 0.047 1.00 0.00 C ATOM 0 H THR A 10 0.984 -24.207 -1.519 1.00 0.00 H new ATOM 0 HA THR A 10 2.553 -25.475 0.531 1.00 0.00 H new ATOM 0 HB THR A 10 3.046 -22.798 -0.829 1.00 0.00 H new ATOM 0 HG1 THR A 10 4.069 -24.082 -2.479 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.409 -23.490 -0.554 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.566 -23.460 1.013 1.00 0.00 H new ATOM 0 HG23 THR A 10 4.877 -25.012 0.199 1.00 0.00 H new ATOM 158 N TYR A 11 1.098 -22.568 1.120 1.00 0.00 N ATOM 159 CA TYR A 11 0.714 -21.645 2.185 1.00 0.00 C ATOM 160 C TYR A 11 -0.775 -21.316 2.098 1.00 0.00 C ATOM 161 O TYR A 11 -1.371 -21.368 1.022 1.00 0.00 O ATOM 162 CB TYR A 11 1.529 -20.355 2.076 1.00 0.00 C ATOM 163 CG TYR A 11 2.994 -20.666 2.275 1.00 0.00 C ATOM 164 CD1 TYR A 11 3.489 -20.919 3.559 1.00 0.00 C ATOM 165 CD2 TYR A 11 3.857 -20.702 1.172 1.00 0.00 C ATOM 166 CE1 TYR A 11 4.847 -21.208 3.742 1.00 0.00 C ATOM 167 CE2 TYR A 11 5.215 -20.991 1.355 1.00 0.00 C ATOM 168 CZ TYR A 11 5.710 -21.245 2.640 1.00 0.00 C ATOM 169 OH TYR A 11 7.048 -21.530 2.820 1.00 0.00 O ATOM 0 H TYR A 11 0.727 -22.331 0.200 1.00 0.00 H new ATOM 0 HA TYR A 11 0.914 -22.122 3.144 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.373 -19.895 1.100 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.194 -19.636 2.824 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.824 -20.891 4.409 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.475 -20.507 0.181 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.229 -21.402 4.733 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.881 -21.018 0.505 1.00 0.00 H new ATOM 0 HH TYR A 11 7.505 -21.517 1.953 1.00 0.00 H new ATOM 179 N ASP A 12 -1.370 -20.976 3.238 1.00 0.00 N ATOM 180 CA ASP A 12 -2.790 -20.638 3.277 1.00 0.00 C ATOM 181 C ASP A 12 -2.982 -19.125 3.276 1.00 0.00 C ATOM 182 O ASP A 12 -4.062 -18.625 2.962 1.00 0.00 O ATOM 183 CB ASP A 12 -3.437 -21.234 4.530 1.00 0.00 C ATOM 184 CG ASP A 12 -3.472 -22.755 4.429 1.00 0.00 C ATOM 185 OD1 ASP A 12 -3.351 -23.258 3.325 1.00 0.00 O ATOM 186 OD2 ASP A 12 -3.624 -23.394 5.457 1.00 0.00 O ATOM 0 H ASP A 12 -0.896 -20.927 4.140 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.266 -21.055 2.389 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.877 -20.933 5.416 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.449 -20.846 4.646 1.00 0.00 H new ATOM 191 N TYR A 13 -1.925 -18.401 3.632 1.00 0.00 N ATOM 192 CA TYR A 13 -1.981 -16.943 3.672 1.00 0.00 C ATOM 193 C TYR A 13 -1.604 -16.356 2.316 1.00 0.00 C ATOM 194 O TYR A 13 -1.009 -15.283 2.239 1.00 0.00 O ATOM 195 CB TYR A 13 -1.016 -16.417 4.737 1.00 0.00 C ATOM 196 CG TYR A 13 -1.284 -17.110 6.050 1.00 0.00 C ATOM 197 CD1 TYR A 13 -2.364 -16.712 6.845 1.00 0.00 C ATOM 198 CD2 TYR A 13 -0.449 -18.150 6.474 1.00 0.00 C ATOM 199 CE1 TYR A 13 -2.612 -17.357 8.063 1.00 0.00 C ATOM 200 CE2 TYR A 13 -0.695 -18.794 7.690 1.00 0.00 C ATOM 201 CZ TYR A 13 -1.776 -18.397 8.486 1.00 0.00 C ATOM 202 OH TYR A 13 -2.019 -19.033 9.686 1.00 0.00 O ATOM 0 H TYR A 13 -1.023 -18.798 3.896 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.000 -16.643 3.917 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.014 -16.591 4.426 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.137 -15.340 4.852 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -3.007 -15.907 6.519 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.386 -18.455 5.861 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.448 -17.052 8.676 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.051 -19.598 8.015 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.346 -19.731 9.828 1.00 0.00 H new ATOM 212 N GLN A 14 -1.942 -17.070 1.251 1.00 0.00 N ATOM 213 CA GLN A 14 -1.615 -16.611 -0.096 1.00 0.00 C ATOM 214 C GLN A 14 -2.086 -15.176 -0.322 1.00 0.00 C ATOM 215 O GLN A 14 -1.321 -14.333 -0.788 1.00 0.00 O ATOM 216 CB GLN A 14 -2.275 -17.527 -1.127 1.00 0.00 C ATOM 217 CG GLN A 14 -1.752 -18.955 -0.958 1.00 0.00 C ATOM 218 CD GLN A 14 -2.514 -19.898 -1.884 1.00 0.00 C ATOM 219 OE1 GLN A 14 -3.566 -19.536 -2.410 1.00 0.00 O ATOM 220 NE2 GLN A 14 -2.044 -21.093 -2.114 1.00 0.00 N ATOM 0 H GLN A 14 -2.437 -17.961 1.290 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.531 -16.640 -0.209 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.358 -17.509 -1.003 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.063 -17.169 -2.134 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.686 -18.991 -1.184 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.869 -19.275 0.078 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.172 -21.391 -1.677 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.549 -21.729 -2.731 1.00 0.00 H new ATOM 229 N SER A 15 -3.346 -14.907 -0.004 1.00 0.00 N ATOM 230 CA SER A 15 -3.902 -13.569 -0.193 1.00 0.00 C ATOM 231 C SER A 15 -3.586 -12.657 0.991 1.00 0.00 C ATOM 232 O SER A 15 -3.393 -11.452 0.822 1.00 0.00 O ATOM 233 CB SER A 15 -5.417 -13.659 -0.372 1.00 0.00 C ATOM 234 OG SER A 15 -6.012 -14.050 0.859 1.00 0.00 O ATOM 0 H SER A 15 -3.999 -15.589 0.383 1.00 0.00 H new ATOM 0 HA SER A 15 -3.444 -13.141 -1.085 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.815 -12.696 -0.692 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.661 -14.380 -1.152 1.00 0.00 H new ATOM 0 HG SER A 15 -6.984 -14.107 0.749 1.00 0.00 H new ATOM 240 N LEU A 16 -3.555 -13.230 2.189 1.00 0.00 N ATOM 241 CA LEU A 16 -3.283 -12.451 3.394 1.00 0.00 C ATOM 242 C LEU A 16 -1.795 -12.138 3.538 1.00 0.00 C ATOM 243 O LEU A 16 -1.408 -11.292 4.343 1.00 0.00 O ATOM 244 CB LEU A 16 -3.764 -13.220 4.625 1.00 0.00 C ATOM 245 CG LEU A 16 -4.031 -12.241 5.769 1.00 0.00 C ATOM 246 CD1 LEU A 16 -5.479 -11.755 5.700 1.00 0.00 C ATOM 247 CD2 LEU A 16 -3.797 -12.948 7.107 1.00 0.00 C ATOM 0 H LEU A 16 -3.714 -14.224 2.353 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.821 -11.507 3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.672 -13.775 4.388 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.013 -13.951 4.926 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.357 -11.389 5.681 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.668 -11.057 6.516 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.650 -11.254 4.747 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.153 -12.607 5.788 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.987 -12.252 7.924 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.472 -13.800 7.191 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.765 -13.296 7.159 1.00 0.00 H new ATOM 259 N GLN A 17 -0.962 -12.828 2.765 1.00 0.00 N ATOM 260 CA GLN A 17 0.483 -12.611 2.836 1.00 0.00 C ATOM 261 C GLN A 17 0.861 -11.211 2.354 1.00 0.00 C ATOM 262 O GLN A 17 1.607 -10.499 3.025 1.00 0.00 O ATOM 263 CB GLN A 17 1.211 -13.658 1.988 1.00 0.00 C ATOM 264 CG GLN A 17 2.648 -13.202 1.732 1.00 0.00 C ATOM 265 CD GLN A 17 3.508 -14.398 1.339 1.00 0.00 C ATOM 266 OE1 GLN A 17 2.988 -15.492 1.119 1.00 0.00 O ATOM 267 NE2 GLN A 17 4.800 -14.256 1.237 1.00 0.00 N ATOM 0 H GLN A 17 -1.255 -13.534 2.090 1.00 0.00 H new ATOM 0 HA GLN A 17 0.784 -12.707 3.879 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.210 -14.620 2.500 1.00 0.00 H new ATOM 0 HB3 GLN A 17 0.690 -13.800 1.041 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.666 -12.454 0.940 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.054 -12.729 2.626 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.229 -13.349 1.420 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.381 -15.052 0.975 1.00 0.00 H new ATOM 276 N ILE A 18 0.355 -10.827 1.185 1.00 0.00 N ATOM 277 CA ILE A 18 0.664 -9.515 0.619 1.00 0.00 C ATOM 278 C ILE A 18 -0.401 -8.485 0.999 1.00 0.00 C ATOM 279 O ILE A 18 -0.213 -7.283 0.810 1.00 0.00 O ATOM 280 CB ILE A 18 0.748 -9.620 -0.908 1.00 0.00 C ATOM 281 CG1 ILE A 18 1.487 -10.907 -1.293 1.00 0.00 C ATOM 282 CG2 ILE A 18 1.503 -8.415 -1.476 1.00 0.00 C ATOM 283 CD1 ILE A 18 1.648 -10.969 -2.810 1.00 0.00 C ATOM 0 H ILE A 18 -0.266 -11.400 0.614 1.00 0.00 H new ATOM 0 HA ILE A 18 1.621 -9.187 1.024 1.00 0.00 H new ATOM 0 HB ILE A 18 -0.262 -9.638 -1.318 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.465 -10.935 -0.812 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.933 -11.777 -0.940 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.558 -8.498 -2.561 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.978 -7.498 -1.209 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.511 -8.390 -1.063 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.173 -11.884 -3.083 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.665 -10.961 -3.281 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.221 -10.106 -3.151 1.00 0.00 H new ATOM 295 N GLY A 19 -1.520 -8.964 1.523 1.00 0.00 N ATOM 296 CA GLY A 19 -2.613 -8.079 1.911 1.00 0.00 C ATOM 297 C GLY A 19 -2.111 -6.849 2.665 1.00 0.00 C ATOM 298 O GLY A 19 -1.713 -5.854 2.060 1.00 0.00 O ATOM 0 H GLY A 19 -1.696 -9.955 1.689 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.157 -7.762 1.021 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.318 -8.626 2.537 1.00 0.00 H new ATOM 302 N GLY A 20 -2.156 -6.924 3.990 1.00 0.00 N ATOM 303 CA GLY A 20 -1.730 -5.815 4.840 1.00 0.00 C ATOM 304 C GLY A 20 -0.519 -5.081 4.265 1.00 0.00 C ATOM 305 O GLY A 20 -0.400 -3.864 4.408 1.00 0.00 O ATOM 0 H GLY A 20 -2.484 -7.743 4.502 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.555 -5.113 4.960 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -1.486 -6.193 5.833 1.00 0.00 H new ATOM 309 N LEU A 21 0.387 -5.820 3.633 1.00 0.00 N ATOM 310 CA LEU A 21 1.590 -5.210 3.066 1.00 0.00 C ATOM 311 C LEU A 21 1.244 -4.135 2.035 1.00 0.00 C ATOM 312 O LEU A 21 1.764 -3.020 2.094 1.00 0.00 O ATOM 313 CB LEU A 21 2.462 -6.285 2.408 1.00 0.00 C ATOM 314 CG LEU A 21 3.502 -6.790 3.412 1.00 0.00 C ATOM 315 CD1 LEU A 21 3.997 -8.171 2.979 1.00 0.00 C ATOM 316 CD2 LEU A 21 4.689 -5.822 3.458 1.00 0.00 C ATOM 0 H LEU A 21 0.316 -6.829 3.500 1.00 0.00 H new ATOM 0 HA LEU A 21 2.136 -4.737 3.882 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.840 -7.113 2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.960 -5.876 1.529 1.00 0.00 H new ATOM 0 HG LEU A 21 3.046 -6.854 4.400 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.738 -8.532 3.693 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.157 -8.865 2.945 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.450 -8.102 1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.427 -6.185 4.174 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.144 -5.757 2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.342 -4.835 3.764 1.00 0.00 H new ATOM 328 N VAL A 22 0.378 -4.476 1.086 1.00 0.00 N ATOM 329 CA VAL A 22 -0.008 -3.531 0.040 1.00 0.00 C ATOM 330 C VAL A 22 -0.855 -2.388 0.599 1.00 0.00 C ATOM 331 O VAL A 22 -0.617 -1.219 0.289 1.00 0.00 O ATOM 332 CB VAL A 22 -0.799 -4.258 -1.048 1.00 0.00 C ATOM 333 CG1 VAL A 22 -1.329 -3.242 -2.060 1.00 0.00 C ATOM 334 CG2 VAL A 22 0.118 -5.255 -1.761 1.00 0.00 C ATOM 0 H VAL A 22 -0.067 -5.391 1.018 1.00 0.00 H new ATOM 0 HA VAL A 22 0.905 -3.108 -0.378 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.636 -4.790 -0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.893 -3.761 -2.835 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.980 -2.529 -1.553 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.493 -2.710 -2.514 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.443 -5.775 -2.537 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.954 -4.721 -2.213 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.497 -5.980 -1.041 1.00 0.00 H new ATOM 344 N ILE A 23 -1.852 -2.732 1.404 1.00 0.00 N ATOM 345 CA ILE A 23 -2.742 -1.727 1.980 1.00 0.00 C ATOM 346 C ILE A 23 -1.985 -0.759 2.886 1.00 0.00 C ATOM 347 O ILE A 23 -2.173 0.457 2.806 1.00 0.00 O ATOM 348 CB ILE A 23 -3.846 -2.416 2.784 1.00 0.00 C ATOM 349 CG1 ILE A 23 -4.642 -3.338 1.857 1.00 0.00 C ATOM 350 CG2 ILE A 23 -4.779 -1.363 3.387 1.00 0.00 C ATOM 351 CD1 ILE A 23 -5.536 -4.255 2.693 1.00 0.00 C ATOM 0 H ILE A 23 -2.066 -3.692 1.673 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.176 -1.156 1.159 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.401 -3.001 3.589 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.249 -2.746 1.172 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.962 -3.933 1.247 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.564 -1.857 3.959 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.210 -0.706 4.045 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.229 -0.774 2.587 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.103 -4.911 2.033 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.918 -4.857 3.360 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.225 -3.651 3.283 1.00 0.00 H new ATOM 363 N ALA A 24 -1.137 -1.302 3.754 1.00 0.00 N ATOM 364 CA ALA A 24 -0.369 -0.474 4.677 1.00 0.00 C ATOM 365 C ALA A 24 0.519 0.506 3.921 1.00 0.00 C ATOM 366 O ALA A 24 0.603 1.683 4.274 1.00 0.00 O ATOM 367 CB ALA A 24 0.495 -1.364 5.572 1.00 0.00 C ATOM 0 H ALA A 24 -0.965 -2.304 3.838 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.068 0.096 5.289 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.067 -0.742 6.260 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.145 -2.039 6.140 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.179 -1.946 4.955 1.00 0.00 H new ATOM 373 N GLY A 25 1.182 0.014 2.881 1.00 0.00 N ATOM 374 CA GLY A 25 2.061 0.861 2.085 1.00 0.00 C ATOM 375 C GLY A 25 1.285 2.010 1.453 1.00 0.00 C ATOM 376 O GLY A 25 1.796 3.123 1.330 1.00 0.00 O ATOM 0 H GLY A 25 1.129 -0.957 2.572 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.858 1.258 2.714 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.537 0.266 1.305 1.00 0.00 H new ATOM 380 N ILE A 26 0.049 1.734 1.049 1.00 0.00 N ATOM 381 CA ILE A 26 -0.781 2.754 0.426 1.00 0.00 C ATOM 382 C ILE A 26 -1.081 3.898 1.397 1.00 0.00 C ATOM 383 O ILE A 26 -1.011 5.066 1.024 1.00 0.00 O ATOM 384 CB ILE A 26 -2.089 2.135 -0.065 1.00 0.00 C ATOM 385 CG1 ILE A 26 -1.804 1.286 -1.307 1.00 0.00 C ATOM 386 CG2 ILE A 26 -3.073 3.248 -0.424 1.00 0.00 C ATOM 387 CD1 ILE A 26 -3.026 0.427 -1.636 1.00 0.00 C ATOM 0 H ILE A 26 -0.395 0.820 1.141 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.231 3.164 -0.421 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.519 1.510 0.718 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.562 1.930 -2.152 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.936 0.650 -1.133 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.007 2.809 -0.775 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.268 3.860 0.457 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.647 3.871 -1.211 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.820 -0.176 -2.520 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.247 -0.228 -0.794 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.883 1.072 -1.829 1.00 0.00 H new ATOM 399 N LEU A 27 -1.419 3.558 2.642 1.00 0.00 N ATOM 400 CA LEU A 27 -1.734 4.578 3.645 1.00 0.00 C ATOM 401 C LEU A 27 -0.537 5.501 3.878 1.00 0.00 C ATOM 402 O LEU A 27 -0.682 6.720 3.903 1.00 0.00 O ATOM 403 CB LEU A 27 -2.136 3.906 4.964 1.00 0.00 C ATOM 404 CG LEU A 27 -2.676 4.951 5.955 1.00 0.00 C ATOM 405 CD1 LEU A 27 -3.981 5.568 5.433 1.00 0.00 C ATOM 406 CD2 LEU A 27 -2.946 4.277 7.302 1.00 0.00 C ATOM 0 H LEU A 27 -1.481 2.597 2.978 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.565 5.178 3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.895 3.147 4.776 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.275 3.396 5.397 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.933 5.740 6.069 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.347 6.305 6.148 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.796 6.053 4.475 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -4.728 4.785 5.305 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.329 5.014 8.008 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.682 3.484 7.171 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.020 3.852 7.688 1.00 0.00 H new ATOM 418 N PHE A 28 0.640 4.908 4.047 1.00 0.00 N ATOM 419 CA PHE A 28 1.860 5.674 4.272 1.00 0.00 C ATOM 420 C PHE A 28 2.254 6.446 3.013 1.00 0.00 C ATOM 421 O PHE A 28 2.737 7.570 3.097 1.00 0.00 O ATOM 422 CB PHE A 28 3.000 4.736 4.682 1.00 0.00 C ATOM 423 CG PHE A 28 3.035 4.614 6.185 1.00 0.00 C ATOM 424 CD1 PHE A 28 2.079 3.836 6.848 1.00 0.00 C ATOM 425 CD2 PHE A 28 4.021 5.284 6.919 1.00 0.00 C ATOM 426 CE1 PHE A 28 2.110 3.726 8.243 1.00 0.00 C ATOM 427 CE2 PHE A 28 4.053 5.176 8.314 1.00 0.00 C ATOM 428 CZ PHE A 28 3.096 4.398 8.976 1.00 0.00 C ATOM 0 H PHE A 28 0.775 3.897 4.032 1.00 0.00 H new ATOM 0 HA PHE A 28 1.674 6.388 5.074 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.858 3.754 4.230 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.952 5.121 4.315 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.317 3.320 6.283 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.758 5.885 6.408 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.374 3.123 8.754 1.00 0.00 H new ATOM 0 HE2 PHE A 28 4.815 5.692 8.879 1.00 0.00 H new ATOM 0 HZ PHE A 28 3.118 4.316 10.053 1.00 0.00 H new ATOM 438 N ILE A 29 2.035 5.837 1.849 1.00 0.00 N ATOM 439 CA ILE A 29 2.361 6.488 0.577 1.00 0.00 C ATOM 440 C ILE A 29 1.484 7.716 0.408 1.00 0.00 C ATOM 441 O ILE A 29 1.963 8.801 0.076 1.00 0.00 O ATOM 442 CB ILE A 29 2.140 5.527 -0.592 1.00 0.00 C ATOM 443 CG1 ILE A 29 3.358 4.607 -0.726 1.00 0.00 C ATOM 444 CG2 ILE A 29 1.951 6.325 -1.885 1.00 0.00 C ATOM 445 CD1 ILE A 29 3.040 3.465 -1.694 1.00 0.00 C ATOM 0 H ILE A 29 1.637 4.902 1.758 1.00 0.00 H new ATOM 0 HA ILE A 29 3.411 6.781 0.586 1.00 0.00 H new ATOM 0 HB ILE A 29 1.249 4.927 -0.409 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.216 5.174 -1.087 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.630 4.204 0.250 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.794 5.638 -2.717 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.085 6.979 -1.786 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.840 6.927 -2.074 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.909 2.813 -1.786 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.195 2.891 -1.314 1.00 0.00 H new ATOM 0 HD13 ILE A 29 2.789 3.876 -2.672 1.00 0.00 H new ATOM 457 N LEU A 30 0.205 7.547 0.716 1.00 0.00 N ATOM 458 CA LEU A 30 -0.729 8.639 0.684 1.00 0.00 C ATOM 459 C LEU A 30 -0.258 9.575 1.753 1.00 0.00 C ATOM 460 O LEU A 30 -0.368 10.788 1.656 1.00 0.00 O ATOM 461 CB LEU A 30 -2.154 8.156 0.983 1.00 0.00 C ATOM 462 CG LEU A 30 -3.144 8.830 0.029 1.00 0.00 C ATOM 463 CD1 LEU A 30 -3.013 8.220 -1.367 1.00 0.00 C ATOM 464 CD2 LEU A 30 -4.573 8.613 0.537 1.00 0.00 C ATOM 0 H LEU A 30 -0.201 6.653 0.991 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.766 9.112 -0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.211 7.073 0.874 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.416 8.387 2.016 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.926 9.897 -0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.719 8.702 -2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.998 8.370 -1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.228 7.152 -1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.277 9.093 -0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.784 7.545 0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.675 9.047 1.532 1.00 0.00 H new ATOM 476 N GLY A 31 0.268 8.948 2.796 1.00 0.00 N ATOM 477 CA GLY A 31 0.780 9.682 3.947 1.00 0.00 C ATOM 478 C GLY A 31 1.873 10.677 3.544 1.00 0.00 C ATOM 479 O GLY A 31 1.812 11.855 3.899 1.00 0.00 O ATOM 0 H GLY A 31 0.352 7.934 2.870 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.038 10.216 4.431 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.179 8.979 4.678 1.00 0.00 H new ATOM 483 N ILE A 32 2.880 10.195 2.815 1.00 0.00 N ATOM 484 CA ILE A 32 3.986 11.048 2.387 1.00 0.00 C ATOM 485 C ILE A 32 3.519 12.098 1.386 1.00 0.00 C ATOM 486 O ILE A 32 3.881 13.269 1.490 1.00 0.00 O ATOM 487 CB ILE A 32 5.076 10.193 1.742 1.00 0.00 C ATOM 488 CG1 ILE A 32 5.621 9.198 2.767 1.00 0.00 C ATOM 489 CG2 ILE A 32 6.210 11.095 1.250 1.00 0.00 C ATOM 490 CD1 ILE A 32 6.424 8.116 2.044 1.00 0.00 C ATOM 0 H ILE A 32 2.952 9.224 2.511 1.00 0.00 H new ATOM 0 HA ILE A 32 4.378 11.557 3.267 1.00 0.00 H new ATOM 0 HB ILE A 32 4.655 9.647 0.898 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.253 9.713 3.491 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.800 8.747 3.325 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.987 10.484 0.790 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.821 11.801 0.516 1.00 0.00 H new ATOM 0 HG23 ILE A 32 6.631 11.643 2.093 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.814 7.405 2.772 1.00 0.00 H new ATOM 0 HD12 ILE A 32 5.778 7.595 1.337 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.253 8.576 1.506 1.00 0.00 H new ATOM 502 N LEU A 33 2.712 11.675 0.419 1.00 0.00 N ATOM 503 CA LEU A 33 2.207 12.601 -0.588 1.00 0.00 C ATOM 504 C LEU A 33 1.331 13.656 0.070 1.00 0.00 C ATOM 505 O LEU A 33 1.444 14.841 -0.228 1.00 0.00 O ATOM 506 CB LEU A 33 1.399 11.841 -1.647 1.00 0.00 C ATOM 507 CG LEU A 33 2.308 10.864 -2.406 1.00 0.00 C ATOM 508 CD1 LEU A 33 1.469 10.046 -3.388 1.00 0.00 C ATOM 509 CD2 LEU A 33 3.386 11.630 -3.185 1.00 0.00 C ATOM 0 H LEU A 33 2.397 10.711 0.311 1.00 0.00 H new ATOM 0 HA LEU A 33 3.053 13.090 -1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.584 11.296 -1.171 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.947 12.546 -2.345 1.00 0.00 H new ATOM 0 HG LEU A 33 2.790 10.204 -1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.114 9.352 -3.927 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.711 9.486 -2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.983 10.716 -4.097 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.022 10.923 -3.717 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.910 12.300 -3.901 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.992 12.212 -2.491 1.00 0.00 H new ATOM 521 N ILE A 34 0.461 13.208 0.966 1.00 0.00 N ATOM 522 CA ILE A 34 -0.445 14.119 1.672 1.00 0.00 C ATOM 523 C ILE A 34 0.328 15.158 2.478 1.00 0.00 C ATOM 524 O ILE A 34 0.013 16.347 2.433 1.00 0.00 O ATOM 525 CB ILE A 34 -1.348 13.336 2.630 1.00 0.00 C ATOM 526 CG1 ILE A 34 -2.484 12.677 1.849 1.00 0.00 C ATOM 527 CG2 ILE A 34 -1.944 14.293 3.666 1.00 0.00 C ATOM 528 CD1 ILE A 34 -3.133 11.599 2.720 1.00 0.00 C ATOM 0 H ILE A 34 0.360 12.226 1.223 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.046 14.626 0.917 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.757 12.569 3.130 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.224 13.423 1.561 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.101 12.236 0.929 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.587 13.736 4.348 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.140 14.766 4.230 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.530 15.059 3.159 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.945 11.125 2.168 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.388 10.849 2.986 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.529 12.054 3.628 1.00 0.00 H new ATOM 540 N VAL A 35 1.327 14.706 3.228 1.00 0.00 N ATOM 541 CA VAL A 35 2.120 15.612 4.052 1.00 0.00 C ATOM 542 C VAL A 35 2.744 16.719 3.206 1.00 0.00 C ATOM 543 O VAL A 35 2.620 17.901 3.527 1.00 0.00 O ATOM 544 CB VAL A 35 3.225 14.834 4.766 1.00 0.00 C ATOM 545 CG1 VAL A 35 4.247 15.815 5.341 1.00 0.00 C ATOM 546 CG2 VAL A 35 2.616 14.010 5.903 1.00 0.00 C ATOM 0 H VAL A 35 1.606 13.726 3.283 1.00 0.00 H new ATOM 0 HA VAL A 35 1.457 16.068 4.787 1.00 0.00 H new ATOM 0 HB VAL A 35 3.717 14.168 4.057 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.036 15.262 5.851 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.681 16.404 4.533 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.754 16.480 6.050 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.404 13.455 6.412 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.124 14.676 6.612 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.885 13.311 5.495 1.00 0.00 H new ATOM 556 N LEU A 36 3.418 16.332 2.129 1.00 0.00 N ATOM 557 CA LEU A 36 4.062 17.304 1.251 1.00 0.00 C ATOM 558 C LEU A 36 3.027 18.178 0.545 1.00 0.00 C ATOM 559 O LEU A 36 3.263 19.360 0.303 1.00 0.00 O ATOM 560 CB LEU A 36 4.912 16.582 0.206 1.00 0.00 C ATOM 561 CG LEU A 36 5.858 17.583 -0.465 1.00 0.00 C ATOM 562 CD1 LEU A 36 7.183 17.637 0.301 1.00 0.00 C ATOM 563 CD2 LEU A 36 6.120 17.146 -1.907 1.00 0.00 C ATOM 0 H LEU A 36 3.533 15.360 1.843 1.00 0.00 H new ATOM 0 HA LEU A 36 4.697 17.943 1.865 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.485 15.783 0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.270 16.116 -0.541 1.00 0.00 H new ATOM 0 HG LEU A 36 5.400 18.572 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.852 18.350 -0.180 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.997 17.950 1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 36 7.644 16.649 0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.793 17.857 -2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.576 16.156 -1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.178 17.113 -2.454 1.00 0.00 H new ATOM 575 N SER A 37 1.887 17.585 0.208 1.00 0.00 N ATOM 576 CA SER A 37 0.830 18.318 -0.485 1.00 0.00 C ATOM 577 C SER A 37 0.332 19.490 0.351 1.00 0.00 C ATOM 578 O SER A 37 -0.024 20.539 -0.187 1.00 0.00 O ATOM 579 CB SER A 37 -0.340 17.389 -0.793 1.00 0.00 C ATOM 580 OG SER A 37 -1.557 18.038 -0.454 1.00 0.00 O ATOM 0 H SER A 37 1.671 16.607 0.401 1.00 0.00 H new ATOM 0 HA SER A 37 1.249 18.704 -1.414 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.339 17.122 -1.850 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.240 16.461 -0.230 1.00 0.00 H new ATOM 0 HG SER A 37 -2.311 17.444 -0.652 1.00 0.00 H new ATOM 586 N ARG A 38 0.294 19.304 1.664 1.00 0.00 N ATOM 587 CA ARG A 38 -0.181 20.355 2.555 1.00 0.00 C ATOM 588 C ARG A 38 0.634 21.630 2.371 1.00 0.00 C ATOM 589 O ARG A 38 0.098 22.735 2.454 1.00 0.00 O ATOM 590 CB ARG A 38 -0.072 19.892 4.006 1.00 0.00 C ATOM 591 CG ARG A 38 -1.471 19.694 4.590 1.00 0.00 C ATOM 592 CD ARG A 38 -2.206 18.617 3.790 1.00 0.00 C ATOM 593 NE ARG A 38 -3.323 19.202 3.057 1.00 0.00 N ATOM 594 CZ ARG A 38 -4.344 19.765 3.693 1.00 0.00 C ATOM 595 NH1 ARG A 38 -4.362 19.796 4.998 1.00 0.00 N ATOM 596 NH2 ARG A 38 -5.329 20.284 3.013 1.00 0.00 N ATOM 0 H ARG A 38 0.583 18.445 2.132 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.222 20.565 2.311 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.490 18.960 4.059 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.477 20.629 4.593 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.402 19.401 5.638 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.027 20.631 4.557 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.517 18.138 3.094 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.571 17.841 4.463 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.320 19.178 2.037 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.592 19.388 5.528 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.146 20.228 5.487 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.315 20.257 1.993 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.113 20.716 3.501 1.00 0.00 H new ATOM 610 N ARG A 39 1.928 21.472 2.119 1.00 0.00 N ATOM 611 CA ARG A 39 2.799 22.624 1.924 1.00 0.00 C ATOM 612 C ARG A 39 2.344 23.444 0.722 1.00 0.00 C ATOM 613 O ARG A 39 2.570 24.653 0.661 1.00 0.00 O ATOM 614 CB ARG A 39 4.243 22.158 1.713 1.00 0.00 C ATOM 615 CG ARG A 39 4.752 21.475 2.983 1.00 0.00 C ATOM 616 CD ARG A 39 5.417 22.512 3.890 1.00 0.00 C ATOM 617 NE ARG A 39 6.600 23.064 3.240 1.00 0.00 N ATOM 618 CZ ARG A 39 7.725 22.363 3.154 1.00 0.00 C ATOM 619 NH1 ARG A 39 7.786 21.162 3.663 1.00 0.00 N ATOM 620 NH2 ARG A 39 8.770 22.874 2.563 1.00 0.00 N ATOM 0 H ARG A 39 2.393 20.567 2.045 1.00 0.00 H new ATOM 0 HA ARG A 39 2.747 23.250 2.815 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.294 21.467 0.871 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.878 23.009 1.466 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.925 20.995 3.507 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.464 20.691 2.726 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.712 23.311 4.119 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.695 22.052 4.838 1.00 0.00 H new ATOM 0 HE ARG A 39 6.563 24.004 2.845 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.970 20.762 4.126 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.650 20.623 3.597 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.724 23.813 2.166 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.633 22.335 2.498 1.00 0.00 H new ATOM 634 N CYS A 40 1.705 22.778 -0.234 1.00 0.00 N ATOM 635 CA CYS A 40 1.227 23.454 -1.435 1.00 0.00 C ATOM 636 C CYS A 40 0.226 24.550 -1.083 1.00 0.00 C ATOM 637 O CYS A 40 0.326 25.675 -1.574 1.00 0.00 O ATOM 638 CB CYS A 40 0.565 22.445 -2.375 1.00 0.00 C ATOM 639 SG CYS A 40 1.685 21.050 -2.648 1.00 0.00 S ATOM 0 H CYS A 40 1.507 21.778 -0.202 1.00 0.00 H new ATOM 0 HA CYS A 40 2.084 23.910 -1.930 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.373 22.093 -1.946 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.322 22.922 -3.325 1.00 0.00 H new ATOM 0 HG CYS A 40 1.122 20.191 -3.445 1.00 0.00 H new ATOM 645 N ARG A 41 -0.739 24.216 -0.231 1.00 0.00 N ATOM 646 CA ARG A 41 -1.755 25.181 0.176 1.00 0.00 C ATOM 647 C ARG A 41 -1.101 26.434 0.744 1.00 0.00 C ATOM 648 O ARG A 41 -1.547 27.553 0.488 1.00 0.00 O ATOM 649 CB ARG A 41 -2.667 24.563 1.237 1.00 0.00 C ATOM 650 CG ARG A 41 -3.867 25.483 1.478 1.00 0.00 C ATOM 651 CD ARG A 41 -4.719 24.926 2.621 1.00 0.00 C ATOM 652 NE ARG A 41 -5.810 25.844 2.925 1.00 0.00 N ATOM 653 CZ ARG A 41 -6.579 25.672 3.996 1.00 0.00 C ATOM 654 NH1 ARG A 41 -6.367 24.667 4.801 1.00 0.00 N ATOM 655 NH2 ARG A 41 -7.547 26.511 4.242 1.00 0.00 N ATOM 0 H ARG A 41 -0.839 23.292 0.188 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.344 25.451 -0.700 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.008 23.581 0.911 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -2.115 24.417 2.166 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.524 26.488 1.723 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.465 25.563 0.570 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.120 23.951 2.344 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.101 24.777 3.507 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.987 26.634 2.304 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.610 24.011 4.609 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.958 24.538 5.622 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.713 27.297 3.613 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.138 26.381 5.063 1.00 0.00 H new ATOM 669 N CYS A 42 -0.044 26.235 1.520 1.00 0.00 N ATOM 670 CA CYS A 42 0.668 27.350 2.126 1.00 0.00 C ATOM 671 C CYS A 42 1.538 28.057 1.088 1.00 0.00 C ATOM 672 O CYS A 42 1.673 29.281 1.108 1.00 0.00 O ATOM 673 CB CYS A 42 1.537 26.842 3.280 1.00 0.00 C ATOM 674 SG CYS A 42 0.567 26.838 4.812 1.00 0.00 S ATOM 0 H CYS A 42 0.337 25.316 1.744 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.060 28.064 2.511 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.897 25.836 3.063 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.415 27.477 3.395 1.00 0.00 H new ATOM 0 HG CYS A 42 1.304 26.405 5.791 1.00 0.00 H new ATOM 680 N LYS A 43 2.126 27.277 0.183 1.00 0.00 N ATOM 681 CA LYS A 43 2.983 27.838 -0.859 1.00 0.00 C ATOM 682 C LYS A 43 2.162 28.456 -1.991 1.00 0.00 C ATOM 683 O LYS A 43 2.633 29.360 -2.681 1.00 0.00 O ATOM 684 CB LYS A 43 3.894 26.747 -1.427 1.00 0.00 C ATOM 685 CG LYS A 43 4.996 26.424 -0.416 1.00 0.00 C ATOM 686 CD LYS A 43 5.946 25.383 -1.010 1.00 0.00 C ATOM 687 CE LYS A 43 7.018 25.025 0.020 1.00 0.00 C ATOM 688 NZ LYS A 43 8.295 24.719 -0.683 1.00 0.00 N ATOM 0 H LYS A 43 2.026 26.262 0.150 1.00 0.00 H new ATOM 0 HA LYS A 43 3.584 28.626 -0.406 1.00 0.00 H new ATOM 0 HB2 LYS A 43 3.313 25.851 -1.646 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.334 27.079 -2.367 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.546 27.330 -0.160 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.557 26.046 0.507 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.391 24.490 -1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.412 25.774 -1.915 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.162 25.852 0.715 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.699 24.165 0.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.026 24.475 0.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.152 23.917 -1.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.600 25.551 -1.227 1.00 0.00 H new ATOM 702 N PHE A 44 0.942 27.961 -2.189 1.00 0.00 N ATOM 703 CA PHE A 44 0.083 28.478 -3.255 1.00 0.00 C ATOM 704 C PHE A 44 -0.328 29.923 -2.983 1.00 0.00 C ATOM 705 O PHE A 44 -0.252 30.771 -3.874 1.00 0.00 O ATOM 706 CB PHE A 44 -1.169 27.608 -3.392 1.00 0.00 C ATOM 707 CG PHE A 44 -0.974 26.619 -4.518 1.00 0.00 C ATOM 708 CD1 PHE A 44 0.207 25.871 -4.595 1.00 0.00 C ATOM 709 CD2 PHE A 44 -1.973 26.451 -5.486 1.00 0.00 C ATOM 710 CE1 PHE A 44 0.389 24.956 -5.637 1.00 0.00 C ATOM 711 CE2 PHE A 44 -1.792 25.534 -6.528 1.00 0.00 C ATOM 712 CZ PHE A 44 -0.610 24.787 -6.604 1.00 0.00 C ATOM 0 H PHE A 44 0.529 27.212 -1.634 1.00 0.00 H new ATOM 0 HA PHE A 44 0.652 28.450 -4.184 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -1.361 27.079 -2.458 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -2.040 28.233 -3.590 1.00 0.00 H new ATOM 0 HD1 PHE A 44 0.978 26.001 -3.850 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.883 27.029 -5.428 1.00 0.00 H new ATOM 0 HE1 PHE A 44 1.300 24.379 -5.696 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.563 25.403 -7.273 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.469 24.080 -7.408 1.00 0.00 H new ATOM 722 N ASN A 45 -0.764 30.190 -1.754 1.00 0.00 N ATOM 723 CA ASN A 45 -1.193 31.535 -1.368 1.00 0.00 C ATOM 724 C ASN A 45 -0.346 32.057 -0.215 1.00 0.00 C ATOM 725 O ASN A 45 -0.864 32.349 0.864 1.00 0.00 O ATOM 726 CB ASN A 45 -2.664 31.512 -0.949 1.00 0.00 C ATOM 727 CG ASN A 45 -3.521 30.973 -2.089 1.00 0.00 C ATOM 728 OD1 ASN A 45 -3.173 31.215 -3.323 1.00 0.00 O flip ATOM 729 ND2 ASN A 45 -4.533 30.316 -1.848 1.00 0.00 N flip ATOM 0 H ASN A 45 -0.830 29.496 -1.009 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.067 32.196 -2.226 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.789 30.889 -0.063 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.990 32.517 -0.681 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.802 30.129 -0.882 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.103 29.958 -2.614 1.00 0.00 H new ATOM 736 N GLN A 46 0.956 32.175 -0.448 1.00 0.00 N ATOM 737 CA GLN A 46 1.859 32.667 0.583 1.00 0.00 C ATOM 738 C GLN A 46 1.532 34.118 0.923 1.00 0.00 C ATOM 739 O GLN A 46 1.710 34.554 2.060 1.00 0.00 O ATOM 740 CB GLN A 46 3.310 32.563 0.107 1.00 0.00 C ATOM 741 CG GLN A 46 4.250 32.913 1.263 1.00 0.00 C ATOM 742 CD GLN A 46 5.703 32.808 0.811 1.00 0.00 C ATOM 743 OE1 GLN A 46 6.040 33.211 -0.302 1.00 0.00 O ATOM 744 NE2 GLN A 46 6.591 32.290 1.617 1.00 0.00 N ATOM 0 H GLN A 46 1.406 31.939 -1.333 1.00 0.00 H new ATOM 0 HA GLN A 46 1.732 32.055 1.476 1.00 0.00 H new ATOM 0 HB2 GLN A 46 3.516 31.554 -0.251 1.00 0.00 H new ATOM 0 HB3 GLN A 46 3.479 33.239 -0.731 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.044 33.923 1.616 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.073 32.240 2.102 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.310 31.957 2.539 1.00 0.00 H new ATOM 0 HE22 GLN A 46 7.566 32.219 1.324 1.00 0.00 H new ATOM 753 N GLN A 47 1.053 34.857 -0.073 1.00 0.00 N ATOM 754 CA GLN A 47 0.703 36.258 0.127 1.00 0.00 C ATOM 755 C GLN A 47 -0.295 36.403 1.272 1.00 0.00 C ATOM 756 O GLN A 47 -0.164 37.292 2.112 1.00 0.00 O ATOM 757 CB GLN A 47 0.095 36.828 -1.154 1.00 0.00 C ATOM 758 CG GLN A 47 1.162 36.863 -2.249 1.00 0.00 C ATOM 759 CD GLN A 47 0.599 37.525 -3.501 1.00 0.00 C ATOM 760 OE1 GLN A 47 -0.644 37.921 -3.515 1.00 0.00 O flip ATOM 761 NE2 GLN A 47 1.310 37.684 -4.494 1.00 0.00 N flip ATOM 0 H GLN A 47 0.899 34.512 -1.020 1.00 0.00 H new ATOM 0 HA GLN A 47 1.610 36.809 0.378 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.749 36.217 -1.473 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.289 37.832 -0.972 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.037 37.411 -1.899 1.00 0.00 H new ATOM 0 HG3 GLN A 47 1.492 35.850 -2.480 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.282 37.374 -4.481 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.927 38.126 -5.330 1.00 0.00 H new ATOM 770 N GLN A 48 -1.288 35.522 1.300 1.00 0.00 N ATOM 771 CA GLN A 48 -2.297 35.561 2.350 1.00 0.00 C ATOM 772 C GLN A 48 -1.658 35.284 3.708 1.00 0.00 C ATOM 773 O GLN A 48 -2.077 35.833 4.728 1.00 0.00 O ATOM 774 CB GLN A 48 -3.384 34.522 2.070 1.00 0.00 C ATOM 775 CG GLN A 48 -4.085 34.862 0.753 1.00 0.00 C ATOM 776 CD GLN A 48 -5.250 33.905 0.520 1.00 0.00 C ATOM 777 OE1 GLN A 48 -5.395 32.865 1.294 1.00 0.00 O flip ATOM 778 NE2 GLN A 48 -6.047 34.108 -0.396 1.00 0.00 N flip ATOM 0 H GLN A 48 -1.415 34.778 0.614 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.745 36.554 2.366 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -2.945 33.526 2.014 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.107 34.507 2.886 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.447 35.890 0.779 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.377 34.794 -0.073 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -5.933 34.922 -1.001 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -6.822 33.463 -0.550 1.00 0.00 H new ATOM 787 N ARG A 49 -0.638 34.432 3.706 1.00 0.00 N ATOM 788 CA ARG A 49 0.064 34.083 4.936 1.00 0.00 C ATOM 789 C ARG A 49 -0.921 33.907 6.088 1.00 0.00 C ATOM 790 O ARG A 49 -0.565 34.091 7.252 1.00 0.00 O ATOM 791 CB ARG A 49 1.074 35.179 5.287 1.00 0.00 C ATOM 792 CG ARG A 49 2.199 34.590 6.142 1.00 0.00 C ATOM 793 CD ARG A 49 3.207 35.687 6.493 1.00 0.00 C ATOM 794 NE ARG A 49 3.567 35.610 7.905 1.00 0.00 N ATOM 795 CZ ARG A 49 4.118 34.514 8.417 1.00 0.00 C ATOM 796 NH1 ARG A 49 4.351 33.481 7.653 1.00 0.00 N ATOM 797 NH2 ARG A 49 4.430 34.471 9.683 1.00 0.00 N ATOM 0 H ARG A 49 -0.280 33.972 2.869 1.00 0.00 H new ATOM 0 HA ARG A 49 0.588 33.141 4.778 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.486 35.613 4.376 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.577 35.985 5.827 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.787 34.156 7.053 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.696 33.785 5.601 1.00 0.00 H new ATOM 0 HD2 ARG A 49 4.100 35.581 5.877 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.781 36.666 6.272 1.00 0.00 H new ATOM 0 HE ARG A 49 3.393 36.412 8.510 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.110 33.515 6.662 1.00 0.00 H new ATOM 0 HH12 ARG A 49 4.774 32.640 8.047 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.251 35.278 10.280 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.853 33.630 10.076 1.00 0.00 H new ATOM 811 N THR A 50 -2.159 33.548 5.751 1.00 0.00 N ATOM 812 CA THR A 50 -3.199 33.345 6.757 1.00 0.00 C ATOM 813 C THR A 50 -3.832 31.966 6.600 1.00 0.00 C ATOM 814 O THR A 50 -3.870 31.415 5.500 1.00 0.00 O ATOM 815 CB THR A 50 -4.276 34.423 6.616 1.00 0.00 C ATOM 816 OG1 THR A 50 -4.787 34.407 5.290 1.00 0.00 O ATOM 817 CG2 THR A 50 -3.671 35.794 6.917 1.00 0.00 C ATOM 0 H THR A 50 -2.465 33.392 4.791 1.00 0.00 H new ATOM 0 HA THR A 50 -2.744 33.413 7.745 1.00 0.00 H new ATOM 0 HB THR A 50 -5.085 34.225 7.320 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.478 35.096 5.197 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.439 36.561 6.816 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.280 35.804 7.934 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.862 35.997 6.215 1.00 0.00 H new ATOM 825 N GLY A 51 -4.329 31.420 7.708 1.00 0.00 N ATOM 826 CA GLY A 51 -4.963 30.104 7.696 1.00 0.00 C ATOM 827 C GLY A 51 -6.446 30.211 8.029 1.00 0.00 C ATOM 828 O GLY A 51 -6.897 29.714 9.062 1.00 0.00 O ATOM 0 H GLY A 51 -4.305 31.868 8.624 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.839 29.645 6.715 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.470 29.452 8.418 1.00 0.00 H new ATOM 832 N GLU A 52 -7.199 30.863 7.147 1.00 0.00 N ATOM 833 CA GLU A 52 -8.634 31.033 7.353 1.00 0.00 C ATOM 834 C GLU A 52 -9.426 30.161 6.360 1.00 0.00 C ATOM 835 O GLU A 52 -9.558 30.540 5.194 1.00 0.00 O ATOM 836 CB GLU A 52 -9.004 32.499 7.123 1.00 0.00 C ATOM 837 CG GLU A 52 -8.389 33.361 8.227 1.00 0.00 C ATOM 838 CD GLU A 52 -8.812 34.816 8.048 1.00 0.00 C ATOM 839 OE1 GLU A 52 -9.999 35.053 7.891 1.00 0.00 O ATOM 840 OE2 GLU A 52 -7.943 35.672 8.070 1.00 0.00 O ATOM 0 H GLU A 52 -6.842 31.280 6.287 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.881 30.733 8.371 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.644 32.827 6.148 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.088 32.615 7.118 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.709 32.998 9.204 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.302 33.283 8.198 1.00 0.00 H new ATOM 847 N PRO A 53 -9.966 29.024 6.764 1.00 0.00 N ATOM 848 CA PRO A 53 -10.752 28.156 5.835 1.00 0.00 C ATOM 849 C PRO A 53 -11.855 28.929 5.119 1.00 0.00 C ATOM 850 O PRO A 53 -12.551 29.743 5.729 1.00 0.00 O ATOM 851 CB PRO A 53 -11.351 27.077 6.741 1.00 0.00 C ATOM 852 CG PRO A 53 -10.473 27.030 7.944 1.00 0.00 C ATOM 853 CD PRO A 53 -9.890 28.432 8.115 1.00 0.00 C ATOM 0 HA PRO A 53 -10.125 27.748 5.042 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -12.378 27.321 7.014 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.376 26.111 6.236 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -11.041 26.736 8.827 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.680 26.294 7.816 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.461 29.015 8.838 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.862 28.395 8.476 1.00 0.00 H new ATOM 861 N ASP A 54 -12.013 28.670 3.825 1.00 0.00 N ATOM 862 CA ASP A 54 -13.039 29.349 3.041 1.00 0.00 C ATOM 863 C ASP A 54 -13.278 28.616 1.724 1.00 0.00 C ATOM 864 O ASP A 54 -12.617 28.888 0.722 1.00 0.00 O ATOM 865 CB ASP A 54 -12.610 30.789 2.755 1.00 0.00 C ATOM 866 CG ASP A 54 -13.760 31.556 2.108 1.00 0.00 C ATOM 867 OD1 ASP A 54 -14.848 31.008 2.040 1.00 0.00 O ATOM 868 OD2 ASP A 54 -13.533 32.678 1.686 1.00 0.00 O ATOM 0 H ASP A 54 -11.449 28.001 3.301 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.966 29.354 3.615 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -12.311 31.279 3.681 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -11.742 30.795 2.096 1.00 0.00 H new ATOM 873 N GLU A 55 -14.228 27.685 1.734 1.00 0.00 N ATOM 874 CA GLU A 55 -14.545 26.917 0.535 1.00 0.00 C ATOM 875 C GLU A 55 -13.269 26.519 -0.198 1.00 0.00 C ATOM 876 O GLU A 55 -12.467 25.738 0.313 1.00 0.00 O ATOM 877 CB GLU A 55 -15.435 27.745 -0.394 1.00 0.00 C ATOM 878 CG GLU A 55 -16.736 28.099 0.329 1.00 0.00 C ATOM 879 CD GLU A 55 -17.663 28.865 -0.608 1.00 0.00 C ATOM 880 OE1 GLU A 55 -17.396 30.030 -0.852 1.00 0.00 O ATOM 881 OE2 GLU A 55 -18.627 28.277 -1.068 1.00 0.00 O ATOM 0 H GLU A 55 -14.788 27.446 2.553 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.075 26.012 0.833 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.916 28.654 -0.697 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -15.652 27.184 -1.303 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -17.227 27.190 0.677 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.519 28.701 1.211 1.00 0.00 H new ATOM 888 N GLU A 56 -13.087 27.061 -1.398 1.00 0.00 N ATOM 889 CA GLU A 56 -11.901 26.756 -2.189 1.00 0.00 C ATOM 890 C GLU A 56 -10.829 27.821 -1.973 1.00 0.00 C ATOM 891 O GLU A 56 -11.032 28.992 -2.293 1.00 0.00 O ATOM 892 CB GLU A 56 -12.267 26.686 -3.673 1.00 0.00 C ATOM 893 CG GLU A 56 -11.069 26.170 -4.472 1.00 0.00 C ATOM 894 CD GLU A 56 -11.404 26.146 -5.959 1.00 0.00 C ATOM 895 OE1 GLU A 56 -12.489 26.579 -6.310 1.00 0.00 O ATOM 896 OE2 GLU A 56 -10.570 25.693 -6.727 1.00 0.00 O ATOM 0 H GLU A 56 -13.740 27.708 -1.841 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.508 25.791 -1.869 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.124 26.027 -3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.560 27.672 -4.033 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.203 26.808 -4.296 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.801 25.169 -4.135 1.00 0.00 H new ATOM 903 N GLU A 57 -9.690 27.406 -1.427 1.00 0.00 N ATOM 904 CA GLU A 57 -8.596 28.335 -1.170 1.00 0.00 C ATOM 905 C GLU A 57 -7.861 28.678 -2.463 1.00 0.00 C ATOM 906 O GLU A 57 -7.430 29.813 -2.659 1.00 0.00 O ATOM 907 CB GLU A 57 -7.618 27.722 -0.166 1.00 0.00 C ATOM 908 CG GLU A 57 -8.346 27.450 1.151 1.00 0.00 C ATOM 909 CD GLU A 57 -8.750 28.766 1.807 1.00 0.00 C ATOM 910 OE1 GLU A 57 -8.202 29.787 1.427 1.00 0.00 O ATOM 911 OE2 GLU A 57 -9.604 28.734 2.678 1.00 0.00 O ATOM 0 H GLU A 57 -9.502 26.441 -1.156 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.014 29.252 -0.756 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.204 26.795 -0.564 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.780 28.399 0.002 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -9.230 26.839 0.968 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.701 26.883 1.822 1.00 0.00 H new ATOM 918 N GLY A 58 -7.722 27.690 -3.342 1.00 0.00 N ATOM 919 CA GLY A 58 -7.037 27.907 -4.613 1.00 0.00 C ATOM 920 C GLY A 58 -6.187 26.698 -4.993 1.00 0.00 C ATOM 921 O GLY A 58 -5.924 26.459 -6.170 1.00 0.00 O ATOM 0 H GLY A 58 -8.070 26.742 -3.201 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.770 28.101 -5.396 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.405 28.792 -4.542 1.00 0.00 H new ATOM 925 N THR A 59 -5.764 25.938 -3.987 1.00 0.00 N ATOM 926 CA THR A 59 -4.949 24.751 -4.229 1.00 0.00 C ATOM 927 C THR A 59 -5.754 23.712 -5.005 1.00 0.00 C ATOM 928 O THR A 59 -6.984 23.716 -4.958 1.00 0.00 O ATOM 929 CB THR A 59 -4.488 24.156 -2.895 1.00 0.00 C ATOM 930 OG1 THR A 59 -4.543 25.155 -1.887 1.00 0.00 O ATOM 931 CG2 THR A 59 -3.053 23.649 -3.032 1.00 0.00 C ATOM 0 H THR A 59 -5.970 26.120 -3.005 1.00 0.00 H new ATOM 0 HA THR A 59 -4.076 25.036 -4.817 1.00 0.00 H new ATOM 0 HB THR A 59 -5.141 23.327 -2.622 1.00 0.00 H new ATOM 0 HG1 THR A 59 -3.954 25.899 -2.132 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.725 23.226 -2.083 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.010 22.882 -3.806 1.00 0.00 H new ATOM 0 HG23 THR A 59 -2.399 24.477 -3.305 1.00 0.00 H new ATOM 939 N PHE A 60 -5.063 22.816 -5.710 1.00 0.00 N ATOM 940 CA PHE A 60 -5.758 21.782 -6.466 1.00 0.00 C ATOM 941 C PHE A 60 -6.388 20.808 -5.485 1.00 0.00 C ATOM 942 O PHE A 60 -7.507 20.334 -5.677 1.00 0.00 O ATOM 943 CB PHE A 60 -4.788 21.052 -7.399 1.00 0.00 C ATOM 944 CG PHE A 60 -5.183 21.310 -8.835 1.00 0.00 C ATOM 945 CD1 PHE A 60 -4.701 22.443 -9.504 1.00 0.00 C ATOM 946 CD2 PHE A 60 -6.031 20.415 -9.501 1.00 0.00 C ATOM 947 CE1 PHE A 60 -5.066 22.680 -10.836 1.00 0.00 C ATOM 948 CE2 PHE A 60 -6.396 20.652 -10.832 1.00 0.00 C ATOM 949 CZ PHE A 60 -5.914 21.784 -11.499 1.00 0.00 C ATOM 0 H PHE A 60 -4.045 22.786 -5.772 1.00 0.00 H new ATOM 0 HA PHE A 60 -6.532 22.237 -7.084 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -3.769 21.396 -7.223 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -4.803 19.982 -7.193 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -4.048 23.134 -8.993 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -6.404 19.541 -8.987 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -4.694 23.553 -11.351 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -7.050 19.961 -11.344 1.00 0.00 H new ATOM 0 HZ PHE A 60 -6.196 21.967 -12.525 1.00 0.00 H new ATOM 959 N ARG A 61 -5.651 20.552 -4.416 1.00 0.00 N ATOM 960 CA ARG A 61 -6.103 19.672 -3.353 1.00 0.00 C ATOM 961 C ARG A 61 -7.326 20.274 -2.672 1.00 0.00 C ATOM 962 O ARG A 61 -8.202 19.556 -2.193 1.00 0.00 O ATOM 963 CB ARG A 61 -4.978 19.486 -2.338 1.00 0.00 C ATOM 964 CG ARG A 61 -3.835 18.694 -2.992 1.00 0.00 C ATOM 965 CD ARG A 61 -2.499 19.429 -2.818 1.00 0.00 C ATOM 966 NE ARG A 61 -2.424 20.571 -3.726 1.00 0.00 N ATOM 967 CZ ARG A 61 -1.967 20.437 -4.971 1.00 0.00 C ATOM 968 NH1 ARG A 61 -1.608 19.262 -5.414 1.00 0.00 N ATOM 969 NH2 ARG A 61 -1.882 21.480 -5.752 1.00 0.00 N ATOM 0 H ARG A 61 -4.724 20.948 -4.262 1.00 0.00 H new ATOM 0 HA ARG A 61 -6.374 18.703 -3.772 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.616 20.456 -1.996 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.348 18.956 -1.460 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -3.771 17.702 -2.545 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -4.043 18.553 -4.053 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.395 19.768 -1.787 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.673 18.746 -3.014 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.727 21.489 -3.401 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.677 18.445 -4.807 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.259 19.161 -6.367 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.165 22.398 -5.409 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.532 21.377 -6.705 1.00 0.00 H new ATOM 983 N SER A 62 -7.365 21.600 -2.624 1.00 0.00 N ATOM 984 CA SER A 62 -8.470 22.309 -1.991 1.00 0.00 C ATOM 985 C SER A 62 -9.794 21.982 -2.678 1.00 0.00 C ATOM 986 O SER A 62 -10.842 21.942 -2.033 1.00 0.00 O ATOM 987 CB SER A 62 -8.224 23.817 -2.047 1.00 0.00 C ATOM 988 OG SER A 62 -9.126 24.474 -1.166 1.00 0.00 O ATOM 0 H SER A 62 -6.644 22.206 -3.016 1.00 0.00 H new ATOM 0 HA SER A 62 -8.529 21.986 -0.951 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.195 24.040 -1.765 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.361 24.182 -3.065 1.00 0.00 H new ATOM 0 HG SER A 62 -8.632 24.833 -0.399 1.00 0.00 H new ATOM 994 N SER A 63 -9.749 21.749 -3.987 1.00 0.00 N ATOM 995 CA SER A 63 -10.965 21.430 -4.727 1.00 0.00 C ATOM 996 C SER A 63 -11.547 20.111 -4.232 1.00 0.00 C ATOM 997 O SER A 63 -12.753 19.881 -4.322 1.00 0.00 O ATOM 998 CB SER A 63 -10.660 21.324 -6.221 1.00 0.00 C ATOM 999 OG SER A 63 -9.902 20.147 -6.464 1.00 0.00 O ATOM 0 H SER A 63 -8.898 21.774 -4.549 1.00 0.00 H new ATOM 0 HA SER A 63 -11.690 22.227 -4.565 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.588 21.297 -6.792 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.106 22.202 -6.554 1.00 0.00 H new ATOM 0 HG SER A 63 -8.950 20.375 -6.511 1.00 0.00 H new ATOM 1005 N ILE A 64 -10.683 19.249 -3.706 1.00 0.00 N ATOM 1006 CA ILE A 64 -11.126 17.958 -3.195 1.00 0.00 C ATOM 1007 C ILE A 64 -12.061 18.146 -1.998 1.00 0.00 C ATOM 1008 O ILE A 64 -12.979 17.358 -1.793 1.00 0.00 O ATOM 1009 CB ILE A 64 -9.920 17.079 -2.815 1.00 0.00 C ATOM 1010 CG1 ILE A 64 -10.227 15.631 -3.213 1.00 0.00 C ATOM 1011 CG2 ILE A 64 -9.639 17.149 -1.304 1.00 0.00 C ATOM 1012 CD1 ILE A 64 -9.172 14.691 -2.625 1.00 0.00 C ATOM 0 H ILE A 64 -9.681 19.419 -3.623 1.00 0.00 H new ATOM 0 HA ILE A 64 -11.680 17.449 -3.984 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.036 17.441 -3.340 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -11.217 15.349 -2.855 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -10.243 15.539 -4.299 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -8.783 16.519 -1.064 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.422 18.179 -1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -10.513 16.798 -0.755 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -9.398 13.664 -2.913 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.188 14.966 -3.005 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -9.177 14.772 -1.538 1.00 0.00 H new ATOM 1024 N ARG A 65 -11.821 19.189 -1.206 1.00 0.00 N ATOM 1025 CA ARG A 65 -12.655 19.447 -0.038 1.00 0.00 C ATOM 1026 C ARG A 65 -14.107 19.624 -0.456 1.00 0.00 C ATOM 1027 O ARG A 65 -15.023 19.309 0.304 1.00 0.00 O ATOM 1028 CB ARG A 65 -12.185 20.706 0.699 1.00 0.00 C ATOM 1029 CG ARG A 65 -10.914 20.412 1.503 1.00 0.00 C ATOM 1030 CD ARG A 65 -10.586 21.621 2.379 1.00 0.00 C ATOM 1031 NE ARG A 65 -11.641 21.826 3.367 1.00 0.00 N ATOM 1032 CZ ARG A 65 -11.623 21.202 4.543 1.00 0.00 C ATOM 1033 NH1 ARG A 65 -10.652 20.380 4.835 1.00 0.00 N ATOM 1034 NH2 ARG A 65 -12.579 21.410 5.407 1.00 0.00 N ATOM 0 H ARG A 65 -11.066 19.860 -1.350 1.00 0.00 H new ATOM 0 HA ARG A 65 -12.570 18.591 0.631 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -11.993 21.504 -0.018 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -12.971 21.059 1.366 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.057 19.527 2.122 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.084 20.199 0.830 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.631 21.467 2.882 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -10.480 22.511 1.759 1.00 0.00 H new ATOM 0 HE ARG A 65 -12.409 22.462 3.152 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.904 20.214 4.161 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -10.641 19.903 5.737 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -13.340 22.051 5.181 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -12.565 20.932 6.308 1.00 0.00 H new ATOM 1048 N ARG A 66 -14.313 20.131 -1.664 1.00 0.00 N ATOM 1049 CA ARG A 66 -15.660 20.345 -2.162 1.00 0.00 C ATOM 1050 C ARG A 66 -16.459 19.048 -2.106 1.00 0.00 C ATOM 1051 O ARG A 66 -17.655 19.060 -1.832 1.00 0.00 O ATOM 1052 CB ARG A 66 -15.603 20.856 -3.603 1.00 0.00 C ATOM 1053 CG ARG A 66 -14.833 22.179 -3.644 1.00 0.00 C ATOM 1054 CD ARG A 66 -14.482 22.525 -5.093 1.00 0.00 C ATOM 1055 NE ARG A 66 -15.692 22.806 -5.856 1.00 0.00 N ATOM 1056 CZ ARG A 66 -15.641 23.496 -6.990 1.00 0.00 C ATOM 1057 NH1 ARG A 66 -14.496 23.943 -7.429 1.00 0.00 N ATOM 1058 NH2 ARG A 66 -16.735 23.729 -7.663 1.00 0.00 N ATOM 0 H ARG A 66 -13.571 20.399 -2.310 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.153 21.087 -1.534 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -15.117 20.120 -4.243 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.612 20.998 -3.990 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.434 22.975 -3.205 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -13.924 22.101 -3.048 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -13.820 23.391 -5.117 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.940 21.697 -5.550 1.00 0.00 H new ATOM 0 HE ARG A 66 -16.591 22.468 -5.514 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.642 23.762 -6.902 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -14.455 24.473 -8.300 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -17.630 23.381 -7.318 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -16.695 24.259 -8.534 1.00 0.00 H new ATOM 1072 N LEU A 67 -15.794 17.928 -2.360 1.00 0.00 N ATOM 1073 CA LEU A 67 -16.471 16.636 -2.332 1.00 0.00 C ATOM 1074 C LEU A 67 -17.093 16.387 -0.960 1.00 0.00 C ATOM 1075 O LEU A 67 -18.022 15.591 -0.829 1.00 0.00 O ATOM 1076 CB LEU A 67 -15.492 15.498 -2.663 1.00 0.00 C ATOM 1077 CG LEU A 67 -15.202 15.446 -4.177 1.00 0.00 C ATOM 1078 CD1 LEU A 67 -16.460 15.053 -4.965 1.00 0.00 C ATOM 1079 CD2 LEU A 67 -14.721 16.816 -4.656 1.00 0.00 C ATOM 0 H LEU A 67 -14.800 17.886 -2.585 1.00 0.00 H new ATOM 0 HA LEU A 67 -17.258 16.656 -3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -14.561 15.643 -2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -15.910 14.546 -2.336 1.00 0.00 H new ATOM 0 HG LEU A 67 -14.431 14.696 -4.350 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -16.228 15.024 -6.030 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -16.800 14.070 -4.641 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -17.246 15.786 -4.785 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -14.517 16.776 -5.726 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.492 17.561 -4.461 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -13.810 17.089 -4.123 1.00 0.00 H new ATOM 1091 N SER A 68 -16.571 17.059 0.064 1.00 0.00 N ATOM 1092 CA SER A 68 -17.088 16.881 1.417 1.00 0.00 C ATOM 1093 C SER A 68 -18.492 17.465 1.560 1.00 0.00 C ATOM 1094 O SER A 68 -19.384 16.814 2.104 1.00 0.00 O ATOM 1095 CB SER A 68 -16.156 17.544 2.432 1.00 0.00 C ATOM 1096 OG SER A 68 -16.258 18.957 2.313 1.00 0.00 O ATOM 0 H SER A 68 -15.801 17.723 -0.016 1.00 0.00 H new ATOM 0 HA SER A 68 -17.139 15.810 1.611 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.420 17.233 3.443 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.128 17.227 2.260 1.00 0.00 H new ATOM 0 HG SER A 68 -16.109 19.218 1.380 1.00 0.00 H new ATOM 1102 N THR A 69 -18.678 18.695 1.082 1.00 0.00 N ATOM 1103 CA THR A 69 -19.982 19.354 1.179 1.00 0.00 C ATOM 1104 C THR A 69 -20.689 19.386 -0.173 1.00 0.00 C ATOM 1105 O THR A 69 -21.903 19.203 -0.252 1.00 0.00 O ATOM 1106 CB THR A 69 -19.802 20.785 1.689 1.00 0.00 C ATOM 1107 OG1 THR A 69 -18.712 21.394 1.013 1.00 0.00 O ATOM 1108 CG2 THR A 69 -19.526 20.762 3.193 1.00 0.00 C ATOM 0 H THR A 69 -17.953 19.251 0.629 1.00 0.00 H new ATOM 0 HA THR A 69 -20.596 18.784 1.876 1.00 0.00 H new ATOM 0 HB THR A 69 -20.711 21.356 1.499 1.00 0.00 H new ATOM 0 HG1 THR A 69 -18.597 22.311 1.338 1.00 0.00 H new ATOM 0 HG21 THR A 69 -19.398 21.782 3.555 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.365 20.296 3.710 1.00 0.00 H new ATOM 0 HG23 THR A 69 -18.618 20.191 3.388 1.00 0.00 H new ATOM 1116 N ARG A 70 -19.925 19.626 -1.232 1.00 0.00 N ATOM 1117 CA ARG A 70 -20.490 19.688 -2.578 1.00 0.00 C ATOM 1118 C ARG A 70 -21.027 18.324 -3.002 1.00 0.00 C ATOM 1119 O ARG A 70 -21.928 18.231 -3.835 1.00 0.00 O ATOM 1120 CB ARG A 70 -19.422 20.141 -3.572 1.00 0.00 C ATOM 1121 CG ARG A 70 -20.087 20.730 -4.817 1.00 0.00 C ATOM 1122 CD ARG A 70 -19.003 21.148 -5.810 1.00 0.00 C ATOM 1123 NE ARG A 70 -19.601 21.761 -6.990 1.00 0.00 N ATOM 1124 CZ ARG A 70 -18.915 21.872 -8.124 1.00 0.00 C ATOM 1125 NH1 ARG A 70 -17.683 21.445 -8.183 1.00 0.00 N ATOM 1126 NH2 ARG A 70 -19.470 22.413 -9.175 1.00 0.00 N ATOM 0 H ARG A 70 -18.918 19.780 -1.187 1.00 0.00 H new ATOM 0 HA ARG A 70 -21.312 20.404 -2.570 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -18.774 20.885 -3.109 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -18.791 19.297 -3.851 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -20.751 19.995 -5.272 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -20.700 21.589 -4.545 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -18.318 21.851 -5.335 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -18.415 20.278 -6.103 1.00 0.00 H new ATOM 0 HE ARG A 70 -20.559 22.109 -6.945 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -17.248 21.027 -7.360 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -17.155 21.529 -9.052 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -20.431 22.751 -9.127 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -18.942 22.497 -10.044 1.00 0.00 H new ATOM 1140 N ARG A 71 -20.459 17.268 -2.431 1.00 0.00 N ATOM 1141 CA ARG A 71 -20.877 15.911 -2.763 1.00 0.00 C ATOM 1142 C ARG A 71 -20.967 15.056 -1.502 1.00 0.00 C ATOM 1143 O ARG A 71 -20.853 15.564 -0.388 1.00 0.00 O ATOM 1144 CB ARG A 71 -19.870 15.287 -3.729 1.00 0.00 C ATOM 1145 CG ARG A 71 -20.603 14.568 -4.861 1.00 0.00 C ATOM 1146 CD ARG A 71 -19.578 13.913 -5.788 1.00 0.00 C ATOM 1147 NE ARG A 71 -20.230 13.424 -6.998 1.00 0.00 N ATOM 1148 CZ ARG A 71 -20.783 12.216 -7.045 1.00 0.00 C ATOM 1149 NH1 ARG A 71 -20.753 11.438 -5.997 1.00 0.00 N ATOM 1150 NH2 ARG A 71 -21.358 11.808 -8.143 1.00 0.00 N ATOM 0 H ARG A 71 -19.711 17.324 -1.739 1.00 0.00 H new ATOM 0 HA ARG A 71 -21.860 15.953 -3.231 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -19.221 16.060 -4.139 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -19.230 14.584 -3.195 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -21.276 13.814 -4.453 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -21.217 15.275 -5.419 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -18.802 14.633 -6.050 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -19.086 13.088 -5.273 1.00 0.00 H new ATOM 0 HE ARG A 71 -20.262 14.021 -7.824 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -20.304 11.756 -5.138 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -21.178 10.512 -6.037 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -21.382 12.415 -8.962 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -21.783 10.882 -8.182 1.00 0.00 H new ATOM 1164 N ARG A 72 -21.168 13.755 -1.686 1.00 0.00 N ATOM 1165 CA ARG A 72 -21.266 12.841 -0.553 1.00 0.00 C ATOM 1166 C ARG A 72 -19.880 12.491 -0.026 1.00 0.00 C ATOM 1167 O ARG A 72 -19.578 11.311 0.052 1.00 0.00 O ATOM 1168 CB ARG A 72 -21.991 11.563 -0.971 1.00 0.00 C ATOM 1169 CG ARG A 72 -23.479 11.859 -1.163 1.00 0.00 C ATOM 1170 CD ARG A 72 -24.207 10.571 -1.547 1.00 0.00 C ATOM 1171 NE ARG A 72 -24.085 9.586 -0.479 1.00 0.00 N ATOM 1172 CZ ARG A 72 -24.668 8.395 -0.571 1.00 0.00 C ATOM 1173 NH1 ARG A 72 -25.368 8.090 -1.629 1.00 0.00 N ATOM 1174 NH2 ARG A 72 -24.540 7.531 0.398 1.00 0.00 N ATOM 1175 OXT ARG A 72 -19.139 13.406 0.293 1.00 0.00 O ATOM 0 H ARG A 72 -21.265 13.313 -2.600 1.00 0.00 H new ATOM 0 HA ARG A 72 -21.830 13.335 0.238 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -21.564 11.176 -1.896 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -21.858 10.792 -0.212 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -23.901 12.269 -0.245 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -23.614 12.612 -1.940 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -25.259 10.782 -1.738 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -23.790 10.170 -2.471 1.00 0.00 H new ATOM 0 HE ARG A 72 -23.542 9.815 0.354 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -25.468 8.766 -2.386 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -25.815 7.176 -1.699 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -23.993 7.770 1.225 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -24.987 6.617 0.328 1.00 0.00 H new TER 1189 ARG A 72