USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 595 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 24 SER OG : rot 180:sc= -0.313 USER MOD Set 1.2: A 26 SER OG : rot 180:sc= -0.251 USER MOD Single : A 1 CYS N :NH3+ -178:sc= 0.317 (180deg=0.309) USER MOD Single : A 1 CYS SG : rot 62:sc= 0.117 USER MOD Single : A 2 SER OG : rot 180:sc= -0.0198 USER MOD Single : A 3 ASN :FLIP amide:sc= -0.354 F(o=-1.8,f=-0.35) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.244 X(o=-0.24,f=-0.49) USER MOD Single : A 19 LYS NZ :NH3+ 162:sc= -0.338 (180deg=-1.74) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -99:sc= 0.811 USER MOD Single : A 31 GLN : amide:sc= -0.411 K(o=-0.41,f=-3!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc=-0.00796 USER MOD Single : A 38 THR OG1 : rot 99:sc= 0.844 USER MOD Single : A 41 ASN :FLIP amide:sc= -5.98! C(o=-7.4!,f=-6!) USER MOD Single : A 46 HIS : no HD1:sc= -0.361 X(o=-0.36,f=-0.023) USER MOD Single : A 49 LYS NZ :NH3+ 144:sc= -0.125 (180deg=-0.873) USER MOD Single : A 52 GLN : amide:sc= -0.423 K(o=-0.42,f=-2.8!) USER MOD Single : A 56 ASN : amide:sc= -0.79 K(o=-0.79,f=-2.3!) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.501 USER MOD Single : A 61 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.113) USER MOD Single : A 68 SER OG : rot 130:sc= -0.515 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -5.04! C(o=-5!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 19.884 14.623 2.544 1.00 0.00 N ATOM 2 CA CYS A 1 19.466 16.001 2.927 1.00 0.00 C ATOM 3 C CYS A 1 17.995 15.993 3.347 1.00 0.00 C ATOM 4 O CYS A 1 17.611 16.634 4.304 1.00 0.00 O ATOM 5 CB CYS A 1 19.651 16.936 1.731 1.00 0.00 C ATOM 6 SG CYS A 1 21.269 16.629 0.980 1.00 0.00 S ATOM 0 H1 CYS A 1 20.893 14.624 2.291 1.00 0.00 H new ATOM 0 H2 CYS A 1 19.728 13.978 3.345 1.00 0.00 H new ATOM 0 H3 CYS A 1 19.323 14.304 1.728 1.00 0.00 H new ATOM 0 HA CYS A 1 20.077 16.348 3.760 1.00 0.00 H new ATOM 0 HB2 CYS A 1 18.860 16.771 0.999 1.00 0.00 H new ATOM 0 HB3 CYS A 1 19.577 17.975 2.052 1.00 0.00 H new ATOM 0 HG CYS A 1 21.321 15.405 0.546 1.00 0.00 H new ATOM 14 N SER A 2 17.170 15.270 2.639 1.00 0.00 N ATOM 15 CA SER A 2 15.723 15.222 2.995 1.00 0.00 C ATOM 16 C SER A 2 15.118 13.915 2.478 1.00 0.00 C ATOM 17 O SER A 2 14.902 12.983 3.225 1.00 0.00 O ATOM 18 CB SER A 2 15.002 16.409 2.351 1.00 0.00 C ATOM 19 OG SER A 2 13.603 16.154 2.330 1.00 0.00 O ATOM 0 H SER A 2 17.436 14.710 1.829 1.00 0.00 H new ATOM 0 HA SER A 2 15.610 15.273 4.078 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.209 17.322 2.910 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.370 16.566 1.337 1.00 0.00 H new ATOM 0 HG SER A 2 13.138 16.913 1.920 1.00 0.00 H new ATOM 25 N ASN A 3 14.847 13.845 1.202 1.00 0.00 N ATOM 26 CA ASN A 3 14.259 12.601 0.623 1.00 0.00 C ATOM 27 C ASN A 3 13.137 12.086 1.526 1.00 0.00 C ATOM 28 O ASN A 3 13.244 11.036 2.125 1.00 0.00 O ATOM 29 CB ASN A 3 15.347 11.533 0.498 1.00 0.00 C ATOM 30 CG ASN A 3 16.588 12.143 -0.156 1.00 0.00 C ATOM 31 OD1 ASN A 3 16.474 13.246 -0.845 1.00 0.00 O flip ATOM 32 ND2 ASN A 3 17.674 11.611 -0.040 1.00 0.00 N flip ATOM 0 H ASN A 3 15.008 14.598 0.533 1.00 0.00 H new ATOM 0 HA ASN A 3 13.850 12.823 -0.363 1.00 0.00 H new ATOM 0 HB2 ASN A 3 15.599 11.138 1.482 1.00 0.00 H new ATOM 0 HB3 ASN A 3 14.983 10.696 -0.098 1.00 0.00 H new ATOM 0 HD21 ASN A 3 17.765 10.749 0.498 1.00 0.00 H new ATOM 0 HD22 ASN A 3 18.495 12.026 -0.481 1.00 0.00 H new ATOM 39 N GLU A 4 12.058 12.813 1.624 1.00 0.00 N ATOM 40 CA GLU A 4 10.933 12.359 2.484 1.00 0.00 C ATOM 41 C GLU A 4 10.200 11.208 1.794 1.00 0.00 C ATOM 42 O GLU A 4 9.272 10.637 2.332 1.00 0.00 O ATOM 43 CB GLU A 4 9.964 13.519 2.708 1.00 0.00 C ATOM 44 CG GLU A 4 9.365 13.948 1.366 1.00 0.00 C ATOM 45 CD GLU A 4 8.622 15.273 1.537 1.00 0.00 C ATOM 46 OE1 GLU A 4 7.707 15.316 2.344 1.00 0.00 O ATOM 47 OE2 GLU A 4 8.981 16.221 0.860 1.00 0.00 O ATOM 0 H GLU A 4 11.908 13.701 1.145 1.00 0.00 H new ATOM 0 HA GLU A 4 11.321 12.020 3.444 1.00 0.00 H new ATOM 0 HB2 GLU A 4 9.171 13.218 3.393 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.484 14.357 3.171 1.00 0.00 H new ATOM 0 HG2 GLU A 4 10.154 14.055 0.622 1.00 0.00 H new ATOM 0 HG3 GLU A 4 8.683 13.181 0.999 1.00 0.00 H new ATOM 54 N LYS A 5 10.607 10.862 0.600 1.00 0.00 N ATOM 55 CA LYS A 5 9.935 9.746 -0.130 1.00 0.00 C ATOM 56 C LYS A 5 10.605 8.418 0.228 1.00 0.00 C ATOM 57 O LYS A 5 10.209 7.369 -0.236 1.00 0.00 O ATOM 58 CB LYS A 5 10.044 9.981 -1.638 1.00 0.00 C ATOM 59 CG LYS A 5 11.519 9.999 -2.050 1.00 0.00 C ATOM 60 CD LYS A 5 11.648 10.539 -3.480 1.00 0.00 C ATOM 61 CE LYS A 5 10.927 9.605 -4.457 1.00 0.00 C ATOM 62 NZ LYS A 5 11.380 9.898 -5.846 1.00 0.00 N ATOM 0 H LYS A 5 11.377 11.305 0.098 1.00 0.00 H new ATOM 0 HA LYS A 5 8.884 9.710 0.158 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.515 9.196 -2.178 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.570 10.926 -1.904 1.00 0.00 H new ATOM 0 HG2 LYS A 5 12.091 10.622 -1.362 1.00 0.00 H new ATOM 0 HG3 LYS A 5 11.936 8.993 -1.991 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.222 11.541 -3.540 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.700 10.623 -3.753 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.137 8.565 -4.206 1.00 0.00 H new ATOM 0 HE3 LYS A 5 9.848 9.740 -4.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.892 9.265 -6.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.158 10.886 -6.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.407 9.748 -5.915 1.00 0.00 H new ATOM 76 N ALA A 6 11.616 8.455 1.056 1.00 0.00 N ATOM 77 CA ALA A 6 12.314 7.195 1.452 1.00 0.00 C ATOM 78 C ALA A 6 12.554 6.316 0.221 1.00 0.00 C ATOM 79 O ALA A 6 12.670 6.800 -0.889 1.00 0.00 O ATOM 80 CB ALA A 6 11.448 6.436 2.459 1.00 0.00 C ATOM 0 H ALA A 6 11.990 9.306 1.476 1.00 0.00 H new ATOM 0 HA ALA A 6 13.275 7.443 1.902 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.953 5.515 2.752 1.00 0.00 H new ATOM 0 HB2 ALA A 6 11.286 7.057 3.340 1.00 0.00 H new ATOM 0 HB3 ALA A 6 10.488 6.194 2.004 1.00 0.00 H new ATOM 86 N ARG A 7 12.622 5.022 0.407 1.00 0.00 N ATOM 87 CA ARG A 7 12.847 4.105 -0.751 1.00 0.00 C ATOM 88 C ARG A 7 11.493 3.559 -1.196 1.00 0.00 C ATOM 89 O ARG A 7 11.331 3.056 -2.291 1.00 0.00 O ATOM 90 CB ARG A 7 13.723 2.913 -0.317 1.00 0.00 C ATOM 91 CG ARG A 7 14.805 3.367 0.665 1.00 0.00 C ATOM 92 CD ARG A 7 15.730 4.379 -0.016 1.00 0.00 C ATOM 93 NE ARG A 7 16.979 4.520 0.780 1.00 0.00 N ATOM 94 CZ ARG A 7 18.027 5.095 0.253 1.00 0.00 C ATOM 95 NH1 ARG A 7 17.978 5.550 -0.972 1.00 0.00 N ATOM 96 NH2 ARG A 7 19.122 5.219 0.950 1.00 0.00 N ATOM 0 H ARG A 7 12.531 4.561 1.312 1.00 0.00 H new ATOM 0 HA ARG A 7 13.341 4.649 -1.556 1.00 0.00 H new ATOM 0 HB2 ARG A 7 13.101 2.148 0.148 1.00 0.00 H new ATOM 0 HB3 ARG A 7 14.187 2.458 -1.192 1.00 0.00 H new ATOM 0 HG2 ARG A 7 14.345 3.816 1.546 1.00 0.00 H new ATOM 0 HG3 ARG A 7 15.381 2.508 1.009 1.00 0.00 H new ATOM 0 HD2 ARG A 7 15.966 4.049 -1.028 1.00 0.00 H new ATOM 0 HD3 ARG A 7 15.230 5.344 -0.103 1.00 0.00 H new ATOM 0 HE ARG A 7 17.017 4.168 1.737 1.00 0.00 H new ATOM 0 HH11 ARG A 7 17.121 5.456 -1.517 1.00 0.00 H new ATOM 0 HH12 ARG A 7 18.797 5.999 -1.382 1.00 0.00 H new ATOM 0 HH21 ARG A 7 19.160 4.867 1.907 1.00 0.00 H new ATOM 0 HH22 ARG A 7 19.940 5.668 0.539 1.00 0.00 H new ATOM 110 N ASP A 8 10.527 3.627 -0.328 1.00 0.00 N ATOM 111 CA ASP A 8 9.184 3.084 -0.649 1.00 0.00 C ATOM 112 C ASP A 8 8.448 3.964 -1.658 1.00 0.00 C ATOM 113 O ASP A 8 8.845 5.067 -1.970 1.00 0.00 O ATOM 114 CB ASP A 8 8.354 3.006 0.633 1.00 0.00 C ATOM 115 CG ASP A 8 9.221 2.480 1.778 1.00 0.00 C ATOM 116 OD1 ASP A 8 10.103 1.678 1.511 1.00 0.00 O ATOM 117 OD2 ASP A 8 8.985 2.886 2.904 1.00 0.00 O ATOM 0 H ASP A 8 10.613 4.041 0.600 1.00 0.00 H new ATOM 0 HA ASP A 8 9.317 2.095 -1.087 1.00 0.00 H new ATOM 0 HB2 ASP A 8 7.962 3.992 0.884 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.496 2.350 0.483 1.00 0.00 H new ATOM 122 N TRP A 9 7.350 3.459 -2.132 1.00 0.00 N ATOM 123 CA TRP A 9 6.504 4.199 -3.100 1.00 0.00 C ATOM 124 C TRP A 9 5.865 5.374 -2.354 1.00 0.00 C ATOM 125 O TRP A 9 5.027 5.176 -1.496 1.00 0.00 O ATOM 126 CB TRP A 9 5.408 3.238 -3.575 1.00 0.00 C ATOM 127 CG TRP A 9 5.973 2.225 -4.530 1.00 0.00 C ATOM 128 CD1 TRP A 9 7.111 1.505 -4.338 1.00 0.00 C ATOM 129 CD2 TRP A 9 5.387 1.727 -5.771 1.00 0.00 C ATOM 130 NE1 TRP A 9 7.299 0.664 -5.424 1.00 0.00 N ATOM 131 CE2 TRP A 9 6.258 0.747 -6.323 1.00 0.00 C ATOM 132 CE3 TRP A 9 4.207 2.047 -6.477 1.00 0.00 C ATOM 133 CZ2 TRP A 9 5.963 0.103 -7.535 1.00 0.00 C ATOM 134 CZ3 TRP A 9 3.901 1.397 -7.693 1.00 0.00 C ATOM 135 CH2 TRP A 9 4.780 0.427 -8.220 1.00 0.00 C ATOM 0 H TRP A 9 6.994 2.537 -1.881 1.00 0.00 H new ATOM 0 HA TRP A 9 7.079 4.566 -3.950 1.00 0.00 H new ATOM 0 HB2 TRP A 9 4.965 2.731 -2.718 1.00 0.00 H new ATOM 0 HB3 TRP A 9 4.610 3.799 -4.061 1.00 0.00 H new ATOM 0 HD1 TRP A 9 7.762 1.577 -3.479 1.00 0.00 H new ATOM 0 HE1 TRP A 9 8.110 0.057 -5.543 1.00 0.00 H new ATOM 0 HE3 TRP A 9 3.533 2.794 -6.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 6.640 -0.636 -7.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 2.992 1.643 -8.221 1.00 0.00 H new ATOM 0 HH2 TRP A 9 4.543 -0.067 -9.151 1.00 0.00 H new ATOM 146 N HIS A 10 6.252 6.589 -2.660 1.00 0.00 N ATOM 147 CA HIS A 10 5.664 7.770 -1.948 1.00 0.00 C ATOM 148 C HIS A 10 4.154 7.574 -1.776 1.00 0.00 C ATOM 149 O HIS A 10 3.526 6.853 -2.525 1.00 0.00 O ATOM 150 CB HIS A 10 5.922 9.050 -2.751 1.00 0.00 C ATOM 151 CG HIS A 10 5.621 10.247 -1.886 1.00 0.00 C ATOM 152 ND1 HIS A 10 6.083 10.354 -0.585 1.00 0.00 N ATOM 153 CD2 HIS A 10 4.893 11.390 -2.117 1.00 0.00 C ATOM 154 CE1 HIS A 10 5.631 11.518 -0.084 1.00 0.00 C ATOM 155 NE2 HIS A 10 4.902 12.188 -0.977 1.00 0.00 N ATOM 0 H HIS A 10 6.948 6.815 -3.370 1.00 0.00 H new ATOM 0 HA HIS A 10 6.134 7.859 -0.968 1.00 0.00 H new ATOM 0 HB2 HIS A 10 6.959 9.080 -3.087 1.00 0.00 H new ATOM 0 HB3 HIS A 10 5.297 9.065 -3.644 1.00 0.00 H new ATOM 0 HD2 HIS A 10 4.391 11.632 -3.042 1.00 0.00 H new ATOM 0 HE1 HIS A 10 5.834 11.867 0.918 1.00 0.00 H new ATOM 0 HE2 HIS A 10 4.448 13.093 -0.851 1.00 0.00 H new ATOM 163 N ARG A 11 3.571 8.195 -0.789 1.00 0.00 N ATOM 164 CA ARG A 11 2.107 8.027 -0.571 1.00 0.00 C ATOM 165 C ARG A 11 1.364 8.292 -1.883 1.00 0.00 C ATOM 166 O ARG A 11 0.261 7.825 -2.089 1.00 0.00 O ATOM 167 CB ARG A 11 1.632 9.007 0.502 1.00 0.00 C ATOM 168 CG ARG A 11 0.132 8.796 0.746 1.00 0.00 C ATOM 169 CD ARG A 11 -0.346 9.595 1.984 1.00 0.00 C ATOM 170 NE ARG A 11 -1.586 10.379 1.640 1.00 0.00 N ATOM 171 CZ ARG A 11 -1.612 11.218 0.639 1.00 0.00 C ATOM 172 NH1 ARG A 11 -0.521 11.487 -0.021 1.00 0.00 N ATOM 173 NH2 ARG A 11 -2.728 11.814 0.316 1.00 0.00 N ATOM 0 H ARG A 11 4.043 8.810 -0.126 1.00 0.00 H new ATOM 0 HA ARG A 11 1.902 7.009 -0.240 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.189 8.852 1.426 1.00 0.00 H new ATOM 0 HB3 ARG A 11 1.821 10.033 0.185 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.431 9.109 -0.133 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -0.071 7.735 0.893 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -0.553 8.914 2.810 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.441 10.271 2.318 1.00 0.00 H new ATOM 0 HE ARG A 11 -2.427 10.251 2.203 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.358 11.042 0.243 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.546 12.143 -0.802 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.579 11.624 0.845 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.749 12.469 -0.466 1.00 0.00 H new ATOM 187 N ALA A 12 1.961 9.034 -2.776 1.00 0.00 N ATOM 188 CA ALA A 12 1.294 9.324 -4.080 1.00 0.00 C ATOM 189 C ALA A 12 1.662 8.230 -5.080 1.00 0.00 C ATOM 190 O ALA A 12 0.902 7.915 -5.970 1.00 0.00 O ATOM 191 CB ALA A 12 1.765 10.679 -4.604 1.00 0.00 C ATOM 0 H ALA A 12 2.884 9.453 -2.659 1.00 0.00 H new ATOM 0 HA ALA A 12 0.213 9.349 -3.945 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.278 10.890 -5.556 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.508 11.457 -3.885 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.846 10.659 -4.746 1.00 0.00 H new ATOM 197 N ASP A 13 2.816 7.640 -4.941 1.00 0.00 N ATOM 198 CA ASP A 13 3.206 6.563 -5.890 1.00 0.00 C ATOM 199 C ASP A 13 2.307 5.357 -5.636 1.00 0.00 C ATOM 200 O ASP A 13 2.065 4.550 -6.511 1.00 0.00 O ATOM 201 CB ASP A 13 4.674 6.190 -5.671 1.00 0.00 C ATOM 202 CG ASP A 13 5.571 7.316 -6.184 1.00 0.00 C ATOM 203 OD1 ASP A 13 5.114 8.078 -7.017 1.00 0.00 O ATOM 204 OD2 ASP A 13 6.701 7.394 -5.734 1.00 0.00 O ATOM 0 H ASP A 13 3.501 7.855 -4.217 1.00 0.00 H new ATOM 0 HA ASP A 13 3.089 6.900 -6.920 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.861 6.016 -4.611 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.905 5.261 -6.192 1.00 0.00 H new ATOM 209 N VAL A 14 1.787 5.243 -4.441 1.00 0.00 N ATOM 210 CA VAL A 14 0.880 4.101 -4.124 1.00 0.00 C ATOM 211 C VAL A 14 -0.503 4.388 -4.719 1.00 0.00 C ATOM 212 O VAL A 14 -1.037 3.607 -5.480 1.00 0.00 O ATOM 213 CB VAL A 14 0.763 3.949 -2.594 1.00 0.00 C ATOM 214 CG1 VAL A 14 -0.458 3.084 -2.230 1.00 0.00 C ATOM 215 CG2 VAL A 14 2.032 3.281 -2.051 1.00 0.00 C ATOM 0 H VAL A 14 1.952 5.892 -3.671 1.00 0.00 H new ATOM 0 HA VAL A 14 1.280 3.179 -4.547 1.00 0.00 H new ATOM 0 HB VAL A 14 0.641 4.938 -2.152 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.525 2.987 -1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -1.364 3.556 -2.609 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.350 2.096 -2.677 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.952 3.172 -0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.149 2.298 -2.507 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.899 3.897 -2.290 1.00 0.00 H new ATOM 225 N ILE A 15 -1.089 5.497 -4.370 1.00 0.00 N ATOM 226 CA ILE A 15 -2.446 5.826 -4.901 1.00 0.00 C ATOM 227 C ILE A 15 -2.364 6.259 -6.367 1.00 0.00 C ATOM 228 O ILE A 15 -3.121 5.800 -7.192 1.00 0.00 O ATOM 229 CB ILE A 15 -3.060 6.955 -4.070 1.00 0.00 C ATOM 230 CG1 ILE A 15 -3.046 6.548 -2.589 1.00 0.00 C ATOM 231 CG2 ILE A 15 -4.503 7.185 -4.530 1.00 0.00 C ATOM 232 CD1 ILE A 15 -3.445 7.733 -1.701 1.00 0.00 C ATOM 0 H ILE A 15 -0.690 6.192 -3.740 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.070 4.935 -4.835 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.487 7.873 -4.200 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.734 5.718 -2.428 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.052 6.197 -2.312 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.948 7.988 -3.943 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.509 7.460 -5.585 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.080 6.271 -4.390 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.429 7.426 -0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.741 8.552 -1.849 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.449 8.065 -1.967 1.00 0.00 H new ATOM 244 N ALA A 16 -1.471 7.141 -6.711 1.00 0.00 N ATOM 245 CA ALA A 16 -1.385 7.569 -8.140 1.00 0.00 C ATOM 246 C ALA A 16 -1.194 6.338 -9.029 1.00 0.00 C ATOM 247 O ALA A 16 -1.804 6.205 -10.072 1.00 0.00 O ATOM 248 CB ALA A 16 -0.203 8.522 -8.330 1.00 0.00 C ATOM 0 H ALA A 16 -0.804 7.581 -6.078 1.00 0.00 H new ATOM 0 HA ALA A 16 -2.306 8.082 -8.416 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.147 8.829 -9.374 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.339 9.401 -7.700 1.00 0.00 H new ATOM 0 HB3 ALA A 16 0.721 8.016 -8.051 1.00 0.00 H new ATOM 254 N GLY A 17 -0.338 5.440 -8.620 1.00 0.00 N ATOM 255 CA GLY A 17 -0.075 4.217 -9.430 1.00 0.00 C ATOM 256 C GLY A 17 -1.311 3.315 -9.467 1.00 0.00 C ATOM 257 O GLY A 17 -1.749 2.900 -10.517 1.00 0.00 O ATOM 0 H GLY A 17 0.194 5.503 -7.752 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.205 4.500 -10.445 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.768 3.670 -9.008 1.00 0.00 H new ATOM 261 N LEU A 18 -1.868 2.993 -8.339 1.00 0.00 N ATOM 262 CA LEU A 18 -3.068 2.108 -8.330 1.00 0.00 C ATOM 263 C LEU A 18 -4.257 2.848 -8.959 1.00 0.00 C ATOM 264 O LEU A 18 -5.043 2.279 -9.691 1.00 0.00 O ATOM 265 CB LEU A 18 -3.404 1.735 -6.879 1.00 0.00 C ATOM 266 CG LEU A 18 -2.256 0.921 -6.256 1.00 0.00 C ATOM 267 CD1 LEU A 18 -2.327 0.998 -4.729 1.00 0.00 C ATOM 268 CD2 LEU A 18 -2.381 -0.552 -6.666 1.00 0.00 C ATOM 0 H LEU A 18 -1.548 3.302 -7.421 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.863 1.204 -8.904 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.576 2.639 -6.295 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.327 1.156 -6.850 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.310 1.333 -6.608 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.511 0.419 -4.297 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.241 2.038 -4.413 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.280 0.592 -4.388 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.566 -1.124 -6.222 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.334 -0.948 -6.316 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.332 -0.633 -7.752 1.00 0.00 H new ATOM 280 N LYS A 19 -4.390 4.109 -8.670 1.00 0.00 N ATOM 281 CA LYS A 19 -5.524 4.912 -9.223 1.00 0.00 C ATOM 282 C LYS A 19 -5.437 5.003 -10.753 1.00 0.00 C ATOM 283 O LYS A 19 -6.395 5.360 -11.411 1.00 0.00 O ATOM 284 CB LYS A 19 -5.471 6.323 -8.630 1.00 0.00 C ATOM 285 CG LYS A 19 -6.648 7.158 -9.158 1.00 0.00 C ATOM 286 CD LYS A 19 -6.905 8.374 -8.234 1.00 0.00 C ATOM 287 CE LYS A 19 -7.956 8.028 -7.168 1.00 0.00 C ATOM 288 NZ LYS A 19 -7.484 6.877 -6.345 1.00 0.00 N ATOM 0 H LYS A 19 -3.754 4.630 -8.066 1.00 0.00 H new ATOM 0 HA LYS A 19 -6.461 4.422 -8.959 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -5.510 6.271 -7.542 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -4.528 6.802 -8.893 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.433 7.501 -10.170 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.544 6.540 -9.214 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.975 8.675 -7.752 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.246 9.223 -8.827 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.138 8.893 -6.530 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.904 7.780 -7.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.027 6.838 -5.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.622 5.992 -6.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.474 6.997 -6.128 1.00 0.00 H new ATOM 302 N LYS A 20 -4.305 4.699 -11.328 1.00 0.00 N ATOM 303 CA LYS A 20 -4.192 4.790 -12.816 1.00 0.00 C ATOM 304 C LYS A 20 -5.306 3.962 -13.444 1.00 0.00 C ATOM 305 O LYS A 20 -5.823 4.291 -14.492 1.00 0.00 O ATOM 306 CB LYS A 20 -2.814 4.276 -13.284 1.00 0.00 C ATOM 307 CG LYS A 20 -1.790 5.428 -13.325 1.00 0.00 C ATOM 308 CD LYS A 20 -1.879 6.152 -14.676 1.00 0.00 C ATOM 309 CE LYS A 20 -0.844 7.278 -14.729 1.00 0.00 C ATOM 310 NZ LYS A 20 -0.752 7.799 -16.123 1.00 0.00 N ATOM 0 H LYS A 20 -3.462 4.395 -10.841 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.287 5.830 -13.127 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.463 3.494 -12.610 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.904 3.827 -14.273 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.984 6.129 -12.513 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.783 5.038 -13.176 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.705 5.447 -15.489 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.880 6.559 -14.816 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.127 8.080 -14.047 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.128 6.909 -14.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.049 8.565 -16.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.463 7.031 -16.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.679 8.165 -16.419 1.00 0.00 H new ATOM 324 N ARG A 21 -5.709 2.913 -12.793 1.00 0.00 N ATOM 325 CA ARG A 21 -6.819 2.092 -13.328 1.00 0.00 C ATOM 326 C ARG A 21 -8.083 2.628 -12.679 1.00 0.00 C ATOM 327 O ARG A 21 -8.648 3.614 -13.109 1.00 0.00 O ATOM 328 CB ARG A 21 -6.628 0.619 -12.923 1.00 0.00 C ATOM 329 CG ARG A 21 -5.507 -0.045 -13.754 1.00 0.00 C ATOM 330 CD ARG A 21 -4.151 0.135 -13.060 1.00 0.00 C ATOM 331 NE ARG A 21 -3.056 -0.179 -14.020 1.00 0.00 N ATOM 332 CZ ARG A 21 -1.839 0.213 -13.773 1.00 0.00 C ATOM 333 NH1 ARG A 21 -1.584 0.914 -12.704 1.00 0.00 N ATOM 334 NH2 ARG A 21 -0.876 -0.089 -14.601 1.00 0.00 N ATOM 0 H ARG A 21 -5.315 2.589 -11.910 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.862 2.143 -14.416 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.383 0.559 -11.863 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.562 0.075 -13.066 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.720 -1.106 -13.881 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.474 0.395 -14.751 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.049 1.158 -12.697 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.086 -0.519 -12.191 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.260 -0.702 -14.872 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.338 1.156 -12.061 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -0.631 1.221 -12.511 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -1.077 -0.632 -15.441 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.077 0.218 -14.408 1.00 0.00 H new ATOM 348 N LYS A 22 -8.510 2.008 -11.624 1.00 0.00 N ATOM 349 CA LYS A 22 -9.710 2.503 -10.902 1.00 0.00 C ATOM 350 C LYS A 22 -9.624 2.036 -9.447 1.00 0.00 C ATOM 351 O LYS A 22 -10.431 1.242 -9.003 1.00 0.00 O ATOM 352 CB LYS A 22 -10.990 1.951 -11.543 1.00 0.00 C ATOM 353 CG LYS A 22 -11.259 2.641 -12.888 1.00 0.00 C ATOM 354 CD LYS A 22 -12.708 2.378 -13.311 1.00 0.00 C ATOM 355 CE LYS A 22 -12.898 2.762 -14.779 1.00 0.00 C ATOM 356 NZ LYS A 22 -14.353 2.750 -15.110 1.00 0.00 N ATOM 0 H LYS A 22 -8.079 1.174 -11.226 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.742 3.591 -10.953 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.894 0.875 -11.692 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.835 2.106 -10.873 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.082 3.713 -12.802 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.573 2.265 -13.647 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -12.953 1.326 -13.166 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -13.389 2.953 -12.684 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.480 3.751 -14.965 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.362 2.063 -15.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.484 3.011 -16.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.738 1.798 -14.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.852 3.433 -14.505 1.00 0.00 H new ATOM 370 N LEU A 23 -8.643 2.498 -8.705 1.00 0.00 N ATOM 371 CA LEU A 23 -8.496 2.048 -7.279 1.00 0.00 C ATOM 372 C LEU A 23 -8.290 3.247 -6.350 1.00 0.00 C ATOM 373 O LEU A 23 -7.672 4.231 -6.702 1.00 0.00 O ATOM 374 CB LEU A 23 -7.261 1.159 -7.152 1.00 0.00 C ATOM 375 CG LEU A 23 -7.298 -0.005 -8.148 1.00 0.00 C ATOM 376 CD1 LEU A 23 -5.899 -0.618 -8.242 1.00 0.00 C ATOM 377 CD2 LEU A 23 -8.283 -1.076 -7.670 1.00 0.00 C ATOM 0 H LEU A 23 -7.940 3.165 -9.023 1.00 0.00 H new ATOM 0 HA LEU A 23 -9.403 1.511 -7.001 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.364 1.755 -7.321 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -7.197 0.768 -6.137 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.618 0.363 -9.123 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.912 -1.448 -8.948 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.193 0.138 -8.584 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.594 -0.981 -7.261 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.301 -1.898 -8.385 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.969 -1.450 -6.695 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.280 -0.643 -7.589 1.00 0.00 H new ATOM 389 N SER A 24 -8.785 3.143 -5.146 1.00 0.00 N ATOM 390 CA SER A 24 -8.610 4.239 -4.149 1.00 0.00 C ATOM 391 C SER A 24 -8.603 3.615 -2.751 1.00 0.00 C ATOM 392 O SER A 24 -9.527 2.918 -2.387 1.00 0.00 O ATOM 393 CB SER A 24 -9.765 5.232 -4.261 1.00 0.00 C ATOM 394 OG SER A 24 -10.985 4.569 -3.960 1.00 0.00 O ATOM 0 H SER A 24 -9.309 2.336 -4.807 1.00 0.00 H new ATOM 0 HA SER A 24 -7.675 4.768 -4.334 1.00 0.00 H new ATOM 0 HB2 SER A 24 -9.611 6.065 -3.575 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.804 5.651 -5.267 1.00 0.00 H new ATOM 0 HG SER A 24 -11.728 5.204 -4.029 1.00 0.00 H new ATOM 400 N LEU A 25 -7.576 3.841 -1.963 1.00 0.00 N ATOM 401 CA LEU A 25 -7.544 3.232 -0.593 1.00 0.00 C ATOM 402 C LEU A 25 -8.920 3.375 0.070 1.00 0.00 C ATOM 403 O LEU A 25 -9.275 2.627 0.961 1.00 0.00 O ATOM 404 CB LEU A 25 -6.501 3.935 0.284 1.00 0.00 C ATOM 405 CG LEU A 25 -5.110 3.884 -0.374 1.00 0.00 C ATOM 406 CD1 LEU A 25 -4.234 5.009 0.192 1.00 0.00 C ATOM 407 CD2 LEU A 25 -4.433 2.538 -0.079 1.00 0.00 C ATOM 0 H LEU A 25 -6.768 4.414 -2.206 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.282 2.179 -0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.794 4.972 0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.463 3.459 1.264 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.228 4.004 -1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.249 4.973 -0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.699 5.972 -0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.130 4.882 1.270 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.450 2.514 -0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.323 2.415 0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.045 1.728 -0.476 1.00 0.00 H new ATOM 419 N SER A 26 -9.698 4.324 -0.370 1.00 0.00 N ATOM 420 CA SER A 26 -11.050 4.509 0.219 1.00 0.00 C ATOM 421 C SER A 26 -11.999 3.468 -0.373 1.00 0.00 C ATOM 422 O SER A 26 -12.764 2.845 0.333 1.00 0.00 O ATOM 423 CB SER A 26 -11.562 5.913 -0.101 1.00 0.00 C ATOM 424 OG SER A 26 -12.106 5.928 -1.414 1.00 0.00 O ATOM 0 H SER A 26 -9.454 4.979 -1.113 1.00 0.00 H new ATOM 0 HA SER A 26 -10.999 4.386 1.301 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.321 6.209 0.623 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.749 6.635 -0.024 1.00 0.00 H new ATOM 0 HG SER A 26 -12.436 6.827 -1.621 1.00 0.00 H new ATOM 430 N ALA A 27 -11.950 3.269 -1.664 1.00 0.00 N ATOM 431 CA ALA A 27 -12.847 2.261 -2.296 1.00 0.00 C ATOM 432 C ALA A 27 -12.456 0.862 -1.815 1.00 0.00 C ATOM 433 O ALA A 27 -13.299 0.057 -1.476 1.00 0.00 O ATOM 434 CB ALA A 27 -12.711 2.335 -3.820 1.00 0.00 C ATOM 0 H ALA A 27 -11.328 3.761 -2.306 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.880 2.468 -2.016 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.368 1.597 -4.280 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -12.989 3.332 -4.162 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -11.679 2.129 -4.104 1.00 0.00 H new ATOM 440 N LEU A 28 -11.182 0.572 -1.764 1.00 0.00 N ATOM 441 CA LEU A 28 -10.747 -0.771 -1.295 1.00 0.00 C ATOM 442 C LEU A 28 -11.233 -0.968 0.139 1.00 0.00 C ATOM 443 O LEU A 28 -11.484 -2.073 0.576 1.00 0.00 O ATOM 444 CB LEU A 28 -9.214 -0.857 -1.339 1.00 0.00 C ATOM 445 CG LEU A 28 -8.757 -1.205 -2.757 1.00 0.00 C ATOM 446 CD1 LEU A 28 -9.240 -0.134 -3.734 1.00 0.00 C ATOM 447 CD2 LEU A 28 -7.229 -1.280 -2.795 1.00 0.00 C ATOM 0 H LEU A 28 -10.428 1.207 -2.027 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.165 -1.546 -1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.778 0.093 -1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.862 -1.613 -0.637 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.177 -2.169 -3.045 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.912 -0.387 -4.742 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.329 -0.083 -3.709 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.825 0.833 -3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.902 -1.528 -3.805 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.810 -0.317 -2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.885 -2.049 -2.103 1.00 0.00 H new ATOM 459 N SER A 29 -11.374 0.101 0.868 1.00 0.00 N ATOM 460 CA SER A 29 -11.848 -0.014 2.272 1.00 0.00 C ATOM 461 C SER A 29 -13.290 -0.530 2.280 1.00 0.00 C ATOM 462 O SER A 29 -13.651 -1.377 3.072 1.00 0.00 O ATOM 463 CB SER A 29 -11.800 1.361 2.937 1.00 0.00 C ATOM 464 OG SER A 29 -12.986 2.078 2.623 1.00 0.00 O ATOM 0 H SER A 29 -11.181 1.051 0.551 1.00 0.00 H new ATOM 0 HA SER A 29 -11.208 -0.707 2.818 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.703 1.252 4.017 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.926 1.914 2.593 1.00 0.00 H new ATOM 0 HG SER A 29 -12.807 2.699 1.886 1.00 0.00 H new ATOM 470 N ARG A 30 -14.116 -0.023 1.404 1.00 0.00 N ATOM 471 CA ARG A 30 -15.533 -0.489 1.360 1.00 0.00 C ATOM 472 C ARG A 30 -15.591 -1.918 0.811 1.00 0.00 C ATOM 473 O ARG A 30 -16.517 -2.658 1.077 1.00 0.00 O ATOM 474 CB ARG A 30 -16.354 0.440 0.460 1.00 0.00 C ATOM 475 CG ARG A 30 -15.894 1.885 0.657 1.00 0.00 C ATOM 476 CD ARG A 30 -16.918 2.832 0.032 1.00 0.00 C ATOM 477 NE ARG A 30 -17.006 2.573 -1.433 1.00 0.00 N ATOM 478 CZ ARG A 30 -18.022 3.026 -2.110 1.00 0.00 C ATOM 479 NH1 ARG A 30 -18.966 3.688 -1.502 1.00 0.00 N ATOM 480 NH2 ARG A 30 -18.097 2.813 -3.396 1.00 0.00 N ATOM 0 H ARG A 30 -13.872 0.692 0.719 1.00 0.00 H new ATOM 0 HA ARG A 30 -15.947 -0.473 2.368 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -16.236 0.149 -0.584 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -17.414 0.350 0.698 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -15.783 2.101 1.719 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -14.917 2.033 0.197 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -17.893 2.688 0.497 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -16.629 3.867 0.212 1.00 0.00 H new ATOM 0 HE ARG A 30 -16.273 2.043 -1.904 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -18.909 3.851 -0.497 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -19.762 4.043 -2.032 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -17.360 2.292 -3.870 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -18.893 3.168 -3.926 1.00 0.00 H new ATOM 494 N GLN A 31 -14.615 -2.306 0.035 1.00 0.00 N ATOM 495 CA GLN A 31 -14.623 -3.678 -0.543 1.00 0.00 C ATOM 496 C GLN A 31 -14.501 -4.716 0.578 1.00 0.00 C ATOM 497 O GLN A 31 -15.198 -5.712 0.584 1.00 0.00 O ATOM 498 CB GLN A 31 -13.440 -3.822 -1.505 1.00 0.00 C ATOM 499 CG GLN A 31 -13.716 -3.038 -2.794 1.00 0.00 C ATOM 500 CD GLN A 31 -12.635 -3.360 -3.828 1.00 0.00 C ATOM 501 OE1 GLN A 31 -11.672 -2.628 -3.967 1.00 0.00 O ATOM 502 NE2 GLN A 31 -12.753 -4.431 -4.565 1.00 0.00 N ATOM 0 H GLN A 31 -13.813 -1.731 -0.223 1.00 0.00 H new ATOM 0 HA GLN A 31 -15.558 -3.842 -1.079 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.529 -3.453 -1.033 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -13.275 -4.874 -1.737 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -14.699 -3.298 -3.187 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -13.728 -1.968 -2.586 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.560 -5.044 -4.448 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.038 -4.655 -5.258 1.00 0.00 H new ATOM 511 N PHE A 32 -13.623 -4.492 1.524 1.00 0.00 N ATOM 512 CA PHE A 32 -13.444 -5.468 2.650 1.00 0.00 C ATOM 513 C PHE A 32 -14.166 -4.949 3.899 1.00 0.00 C ATOM 514 O PHE A 32 -14.512 -5.700 4.788 1.00 0.00 O ATOM 515 CB PHE A 32 -11.944 -5.647 2.922 1.00 0.00 C ATOM 516 CG PHE A 32 -11.353 -6.474 1.803 1.00 0.00 C ATOM 517 CD1 PHE A 32 -10.958 -5.855 0.602 1.00 0.00 C ATOM 518 CD2 PHE A 32 -11.228 -7.869 1.949 1.00 0.00 C ATOM 519 CE1 PHE A 32 -10.437 -6.631 -0.452 1.00 0.00 C ATOM 520 CE2 PHE A 32 -10.702 -8.643 0.897 1.00 0.00 C ATOM 521 CZ PHE A 32 -10.310 -8.025 -0.305 1.00 0.00 C ATOM 0 H PHE A 32 -13.018 -3.672 1.567 1.00 0.00 H new ATOM 0 HA PHE A 32 -13.873 -6.434 2.382 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -11.450 -4.677 2.979 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -11.788 -6.140 3.881 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.054 -4.785 0.489 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.536 -8.345 2.868 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.135 -6.156 -1.374 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.599 -9.712 1.013 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.912 -8.620 -1.114 1.00 0.00 H new ATOM 531 N GLY A 33 -14.429 -3.671 3.951 1.00 0.00 N ATOM 532 CA GLY A 33 -15.169 -3.099 5.115 1.00 0.00 C ATOM 533 C GLY A 33 -14.281 -2.999 6.361 1.00 0.00 C ATOM 534 O GLY A 33 -14.746 -3.196 7.467 1.00 0.00 O ATOM 0 H GLY A 33 -14.162 -2.995 3.235 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.545 -2.109 4.856 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.036 -3.721 5.336 1.00 0.00 H new ATOM 538 N TYR A 34 -13.020 -2.680 6.209 1.00 0.00 N ATOM 539 CA TYR A 34 -12.125 -2.551 7.408 1.00 0.00 C ATOM 540 C TYR A 34 -12.021 -1.071 7.797 1.00 0.00 C ATOM 541 O TYR A 34 -11.164 -0.678 8.562 1.00 0.00 O ATOM 542 CB TYR A 34 -10.727 -3.088 7.080 1.00 0.00 C ATOM 543 CG TYR A 34 -10.725 -4.602 7.155 1.00 0.00 C ATOM 544 CD1 TYR A 34 -11.006 -5.252 8.376 1.00 0.00 C ATOM 545 CD2 TYR A 34 -10.452 -5.367 6.002 1.00 0.00 C ATOM 546 CE1 TYR A 34 -11.012 -6.658 8.440 1.00 0.00 C ATOM 547 CE2 TYR A 34 -10.461 -6.771 6.069 1.00 0.00 C ATOM 548 CZ TYR A 34 -10.741 -7.417 7.288 1.00 0.00 C ATOM 549 OH TYR A 34 -10.749 -8.796 7.351 1.00 0.00 O ATOM 0 H TYR A 34 -12.569 -2.503 5.311 1.00 0.00 H new ATOM 0 HA TYR A 34 -12.543 -3.127 8.234 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.428 -2.764 6.083 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.998 -2.680 7.780 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.216 -4.670 9.261 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -10.236 -4.873 5.066 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -11.225 -7.154 9.375 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -10.253 -7.355 5.184 1.00 0.00 H new ATOM 0 HH TYR A 34 -10.543 -9.165 6.467 1.00 0.00 H new ATOM 559 N ALA A 35 -12.892 -0.258 7.263 1.00 0.00 N ATOM 560 CA ALA A 35 -12.886 1.204 7.565 1.00 0.00 C ATOM 561 C ALA A 35 -11.803 1.888 6.705 1.00 0.00 C ATOM 562 O ALA A 35 -10.792 1.276 6.421 1.00 0.00 O ATOM 563 CB ALA A 35 -12.601 1.437 9.061 1.00 0.00 C ATOM 0 H ALA A 35 -13.624 -0.552 6.616 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.862 1.629 7.331 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.599 2.507 9.269 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -13.374 0.953 9.658 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.628 1.016 9.316 1.00 0.00 H new ATOM 569 N PRO A 36 -12.019 3.134 6.310 1.00 0.00 N ATOM 570 CA PRO A 36 -11.025 3.857 5.492 1.00 0.00 C ATOM 571 C PRO A 36 -9.724 4.032 6.288 1.00 0.00 C ATOM 572 O PRO A 36 -8.661 4.214 5.727 1.00 0.00 O ATOM 573 CB PRO A 36 -11.679 5.227 5.191 1.00 0.00 C ATOM 574 CG PRO A 36 -12.967 5.323 6.056 1.00 0.00 C ATOM 575 CD PRO A 36 -13.236 3.917 6.633 1.00 0.00 C ATOM 0 HA PRO A 36 -10.766 3.326 4.576 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.994 6.041 5.430 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.920 5.314 4.132 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.838 6.050 6.858 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.811 5.659 5.453 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.406 3.957 7.709 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.124 3.470 6.186 1.00 0.00 H new ATOM 583 N THR A 37 -9.808 3.996 7.590 1.00 0.00 N ATOM 584 CA THR A 37 -8.584 4.177 8.418 1.00 0.00 C ATOM 585 C THR A 37 -7.690 2.939 8.323 1.00 0.00 C ATOM 586 O THR A 37 -6.480 3.047 8.294 1.00 0.00 O ATOM 587 CB THR A 37 -8.983 4.401 9.880 1.00 0.00 C ATOM 588 OG1 THR A 37 -9.620 3.232 10.379 1.00 0.00 O ATOM 589 CG2 THR A 37 -9.939 5.591 9.977 1.00 0.00 C ATOM 0 H THR A 37 -10.670 3.849 8.115 1.00 0.00 H new ATOM 0 HA THR A 37 -8.034 5.042 8.047 1.00 0.00 H new ATOM 0 HB THR A 37 -8.092 4.610 10.472 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.875 3.372 11.315 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.221 5.747 11.018 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.446 6.486 9.596 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.832 5.389 9.386 1.00 0.00 H new ATOM 597 N THR A 38 -8.258 1.763 8.277 1.00 0.00 N ATOM 598 CA THR A 38 -7.399 0.550 8.192 1.00 0.00 C ATOM 599 C THR A 38 -6.472 0.667 6.981 1.00 0.00 C ATOM 600 O THR A 38 -5.273 0.794 7.118 1.00 0.00 O ATOM 601 CB THR A 38 -8.271 -0.711 8.056 1.00 0.00 C ATOM 602 OG1 THR A 38 -8.922 -0.960 9.295 1.00 0.00 O ATOM 603 CG2 THR A 38 -7.401 -1.932 7.683 1.00 0.00 C ATOM 0 H THR A 38 -9.263 1.592 8.294 1.00 0.00 H new ATOM 0 HA THR A 38 -6.805 0.470 9.102 1.00 0.00 H new ATOM 0 HB THR A 38 -9.007 -0.551 7.268 1.00 0.00 H new ATOM 0 HG1 THR A 38 -9.837 -0.610 9.260 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.034 -2.815 7.591 1.00 0.00 H new ATOM 0 HG22 THR A 38 -6.899 -1.745 6.734 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.656 -2.099 8.461 1.00 0.00 H new ATOM 611 N LEU A 39 -7.016 0.617 5.796 1.00 0.00 N ATOM 612 CA LEU A 39 -6.160 0.714 4.581 1.00 0.00 C ATOM 613 C LEU A 39 -5.214 1.918 4.727 1.00 0.00 C ATOM 614 O LEU A 39 -4.029 1.827 4.487 1.00 0.00 O ATOM 615 CB LEU A 39 -7.073 0.892 3.336 1.00 0.00 C ATOM 616 CG LEU A 39 -6.851 -0.214 2.275 1.00 0.00 C ATOM 617 CD1 LEU A 39 -5.345 -0.456 2.001 1.00 0.00 C ATOM 618 CD2 LEU A 39 -7.516 -1.513 2.749 1.00 0.00 C ATOM 0 H LEU A 39 -8.015 0.513 5.617 1.00 0.00 H new ATOM 0 HA LEU A 39 -5.565 -0.191 4.462 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.117 0.885 3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.882 1.866 2.886 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.303 0.116 1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.233 -1.239 1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.889 0.464 1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.852 -0.764 2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.362 -2.294 2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -7.075 -1.823 3.696 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.585 -1.346 2.884 1.00 0.00 H new ATOM 630 N ALA A 40 -5.738 3.049 5.108 1.00 0.00 N ATOM 631 CA ALA A 40 -4.875 4.252 5.265 1.00 0.00 C ATOM 632 C ALA A 40 -3.725 3.944 6.227 1.00 0.00 C ATOM 633 O ALA A 40 -2.580 3.853 5.835 1.00 0.00 O ATOM 634 CB ALA A 40 -5.706 5.408 5.822 1.00 0.00 C ATOM 0 H ALA A 40 -6.726 3.192 5.317 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.468 4.529 4.293 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.074 6.288 5.937 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.522 5.634 5.135 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.116 5.127 6.792 1.00 0.00 H new ATOM 640 N ASN A 41 -4.022 3.806 7.490 1.00 0.00 N ATOM 641 CA ASN A 41 -2.953 3.527 8.493 1.00 0.00 C ATOM 642 C ASN A 41 -2.212 2.230 8.147 1.00 0.00 C ATOM 643 O ASN A 41 -1.175 1.939 8.711 1.00 0.00 O ATOM 644 CB ASN A 41 -3.577 3.403 9.888 1.00 0.00 C ATOM 645 CG ASN A 41 -2.484 3.553 10.949 1.00 0.00 C ATOM 646 OD1 ASN A 41 -2.820 3.781 12.189 1.00 0.00 O flip ATOM 647 ND2 ASN A 41 -1.309 3.465 10.646 1.00 0.00 N flip ATOM 0 H ASN A 41 -4.965 3.875 7.873 1.00 0.00 H new ATOM 0 HA ASN A 41 -2.240 4.351 8.480 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.341 4.168 10.026 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.071 2.437 9.993 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -1.044 3.287 9.677 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -0.589 3.569 11.361 1.00 0.00 H new ATOM 654 N ALA A 42 -2.725 1.443 7.242 1.00 0.00 N ATOM 655 CA ALA A 42 -2.017 0.178 6.891 1.00 0.00 C ATOM 656 C ALA A 42 -0.766 0.508 6.078 1.00 0.00 C ATOM 657 O ALA A 42 -0.159 -0.353 5.472 1.00 0.00 O ATOM 658 CB ALA A 42 -2.933 -0.737 6.075 1.00 0.00 C ATOM 0 H ALA A 42 -3.593 1.617 6.735 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.735 -0.338 7.809 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.402 -1.656 5.827 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.821 -0.978 6.659 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.230 -0.230 5.157 1.00 0.00 H new ATOM 664 N LEU A 43 -0.380 1.755 6.055 1.00 0.00 N ATOM 665 CA LEU A 43 0.831 2.153 5.283 1.00 0.00 C ATOM 666 C LEU A 43 2.074 1.916 6.146 1.00 0.00 C ATOM 667 O LEU A 43 3.107 1.500 5.661 1.00 0.00 O ATOM 668 CB LEU A 43 0.739 3.642 4.913 1.00 0.00 C ATOM 669 CG LEU A 43 -0.213 3.840 3.716 1.00 0.00 C ATOM 670 CD1 LEU A 43 -0.754 5.274 3.721 1.00 0.00 C ATOM 671 CD2 LEU A 43 0.535 3.600 2.394 1.00 0.00 C ATOM 0 H LEU A 43 -0.853 2.518 6.540 1.00 0.00 H new ATOM 0 HA LEU A 43 0.897 1.560 4.371 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.382 4.215 5.769 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.729 4.024 4.665 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.034 3.128 3.804 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.427 5.412 2.874 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.297 5.455 4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.076 5.976 3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.149 3.743 1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.362 4.305 2.311 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.923 2.582 2.375 1.00 0.00 H new ATOM 683 N GLU A 44 1.978 2.190 7.427 1.00 0.00 N ATOM 684 CA GLU A 44 3.148 1.992 8.342 1.00 0.00 C ATOM 685 C GLU A 44 2.704 1.256 9.613 1.00 0.00 C ATOM 686 O GLU A 44 3.479 1.063 10.528 1.00 0.00 O ATOM 687 CB GLU A 44 3.745 3.353 8.724 1.00 0.00 C ATOM 688 CG GLU A 44 2.645 4.309 9.198 1.00 0.00 C ATOM 689 CD GLU A 44 2.188 3.914 10.605 1.00 0.00 C ATOM 690 OE1 GLU A 44 2.781 4.399 11.555 1.00 0.00 O ATOM 691 OE2 GLU A 44 1.253 3.137 10.709 1.00 0.00 O ATOM 0 H GLU A 44 1.135 2.544 7.879 1.00 0.00 H new ATOM 0 HA GLU A 44 3.901 1.396 7.826 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.486 3.223 9.513 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.263 3.783 7.867 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.017 5.334 9.200 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.801 4.278 8.509 1.00 0.00 H new ATOM 698 N ARG A 45 1.464 0.851 9.688 1.00 0.00 N ATOM 699 CA ARG A 45 0.987 0.137 10.910 1.00 0.00 C ATOM 700 C ARG A 45 1.479 -1.315 10.887 1.00 0.00 C ATOM 701 O ARG A 45 1.678 -1.897 9.840 1.00 0.00 O ATOM 702 CB ARG A 45 -0.543 0.155 10.947 1.00 0.00 C ATOM 703 CG ARG A 45 -1.036 -0.674 12.139 1.00 0.00 C ATOM 704 CD ARG A 45 -2.520 -0.393 12.400 1.00 0.00 C ATOM 705 NE ARG A 45 -2.654 0.846 13.219 1.00 0.00 N ATOM 706 CZ ARG A 45 -3.811 1.441 13.320 1.00 0.00 C ATOM 707 NH1 ARG A 45 -4.849 0.962 12.691 1.00 0.00 N ATOM 708 NH2 ARG A 45 -3.932 2.517 14.050 1.00 0.00 N ATOM 0 H ARG A 45 0.763 0.983 8.959 1.00 0.00 H new ATOM 0 HA ARG A 45 1.380 0.637 11.795 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -0.903 1.180 11.030 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.945 -0.250 10.018 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.889 -1.735 11.939 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.451 -0.433 13.026 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.051 -0.277 11.455 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -2.975 -1.236 12.919 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.840 1.229 13.701 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -4.756 0.122 12.120 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -5.753 1.428 12.770 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.122 2.893 14.542 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -4.837 2.981 14.128 1.00 0.00 H new ATOM 722 N HIS A 46 1.664 -1.907 12.039 1.00 0.00 N ATOM 723 CA HIS A 46 2.133 -3.324 12.087 1.00 0.00 C ATOM 724 C HIS A 46 1.023 -4.233 11.557 1.00 0.00 C ATOM 725 O HIS A 46 0.314 -4.869 12.313 1.00 0.00 O ATOM 726 CB HIS A 46 2.453 -3.709 13.532 1.00 0.00 C ATOM 727 CG HIS A 46 3.680 -2.971 13.990 1.00 0.00 C ATOM 728 ND1 HIS A 46 4.762 -3.623 14.563 1.00 0.00 N ATOM 729 CD2 HIS A 46 4.013 -1.640 13.967 1.00 0.00 C ATOM 730 CE1 HIS A 46 5.685 -2.691 14.860 1.00 0.00 C ATOM 731 NE2 HIS A 46 5.279 -1.466 14.518 1.00 0.00 N ATOM 0 H HIS A 46 1.511 -1.470 12.948 1.00 0.00 H new ATOM 0 HA HIS A 46 3.029 -3.435 11.476 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.609 -3.469 14.179 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.614 -4.784 13.605 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.388 -0.848 13.580 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.638 -2.907 15.319 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.788 -0.590 14.635 1.00 0.00 H new ATOM 739 N TRP A 47 0.862 -4.297 10.267 1.00 0.00 N ATOM 740 CA TRP A 47 -0.206 -5.158 9.689 1.00 0.00 C ATOM 741 C TRP A 47 0.083 -5.360 8.190 1.00 0.00 C ATOM 742 O TRP A 47 -0.566 -4.761 7.357 1.00 0.00 O ATOM 743 CB TRP A 47 -1.558 -4.459 9.869 1.00 0.00 C ATOM 744 CG TRP A 47 -2.649 -5.335 9.348 1.00 0.00 C ATOM 745 CD1 TRP A 47 -2.858 -6.621 9.714 1.00 0.00 C ATOM 746 CD2 TRP A 47 -3.683 -5.011 8.377 1.00 0.00 C ATOM 747 NE1 TRP A 47 -3.946 -7.113 9.019 1.00 0.00 N ATOM 748 CE2 TRP A 47 -4.493 -6.161 8.182 1.00 0.00 C ATOM 749 CE3 TRP A 47 -3.993 -3.842 7.647 1.00 0.00 C ATOM 750 CZ2 TRP A 47 -5.575 -6.153 7.292 1.00 0.00 C ATOM 751 CZ3 TRP A 47 -5.084 -3.827 6.753 1.00 0.00 C ATOM 752 CH2 TRP A 47 -5.873 -4.982 6.575 1.00 0.00 C ATOM 0 H TRP A 47 1.425 -3.789 9.585 1.00 0.00 H new ATOM 0 HA TRP A 47 -0.231 -6.126 10.190 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.727 -4.239 10.923 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.559 -3.506 9.340 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -2.270 -7.173 10.432 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -4.302 -8.064 9.113 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.391 -2.954 7.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -6.176 -7.041 7.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -5.316 -2.927 6.203 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.706 -4.967 5.888 1.00 0.00 H new ATOM 763 N PRO A 48 1.084 -6.171 7.891 1.00 0.00 N ATOM 764 CA PRO A 48 1.489 -6.430 6.493 1.00 0.00 C ATOM 765 C PRO A 48 0.340 -7.047 5.668 1.00 0.00 C ATOM 766 O PRO A 48 0.395 -7.077 4.453 1.00 0.00 O ATOM 767 CB PRO A 48 2.695 -7.397 6.599 1.00 0.00 C ATOM 768 CG PRO A 48 3.004 -7.594 8.113 1.00 0.00 C ATOM 769 CD PRO A 48 1.896 -6.876 8.913 1.00 0.00 C ATOM 0 HA PRO A 48 1.750 -5.509 5.972 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.464 -8.352 6.127 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.562 -6.987 6.081 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.031 -8.655 8.363 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.983 -7.183 8.361 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.292 -7.587 9.476 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.319 -6.176 9.633 1.00 0.00 H new ATOM 777 N LYS A 49 -0.693 -7.537 6.297 1.00 0.00 N ATOM 778 CA LYS A 49 -1.808 -8.136 5.505 1.00 0.00 C ATOM 779 C LYS A 49 -2.568 -7.019 4.780 1.00 0.00 C ATOM 780 O LYS A 49 -3.276 -7.254 3.822 1.00 0.00 O ATOM 781 CB LYS A 49 -2.758 -8.905 6.435 1.00 0.00 C ATOM 782 CG LYS A 49 -3.694 -9.815 5.612 1.00 0.00 C ATOM 783 CD LYS A 49 -3.026 -11.170 5.353 1.00 0.00 C ATOM 784 CE LYS A 49 -3.963 -12.049 4.522 1.00 0.00 C ATOM 785 NZ LYS A 49 -4.339 -11.332 3.271 1.00 0.00 N ATOM 0 H LYS A 49 -0.814 -7.550 7.310 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.401 -8.832 4.771 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -2.182 -9.506 7.138 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.348 -8.203 7.024 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -4.633 -9.961 6.146 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -3.938 -9.335 4.664 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -2.082 -11.028 4.827 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.794 -11.660 6.299 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.474 -12.993 4.280 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.857 -12.292 5.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.416 -12.014 2.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.253 -10.855 3.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.610 -10.626 3.043 1.00 0.00 H new ATOM 799 N GLY A 50 -2.400 -5.797 5.211 1.00 0.00 N ATOM 800 CA GLY A 50 -3.088 -4.668 4.523 1.00 0.00 C ATOM 801 C GLY A 50 -2.379 -4.416 3.193 1.00 0.00 C ATOM 802 O GLY A 50 -2.986 -4.023 2.217 1.00 0.00 O ATOM 0 H GLY A 50 -1.818 -5.533 6.006 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -4.138 -4.909 4.355 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.062 -3.772 5.143 1.00 0.00 H new ATOM 806 N GLU A 51 -1.094 -4.656 3.148 1.00 0.00 N ATOM 807 CA GLU A 51 -0.345 -4.453 1.883 1.00 0.00 C ATOM 808 C GLU A 51 -0.751 -5.556 0.905 1.00 0.00 C ATOM 809 O GLU A 51 -0.754 -5.370 -0.295 1.00 0.00 O ATOM 810 CB GLU A 51 1.158 -4.534 2.166 1.00 0.00 C ATOM 811 CG GLU A 51 1.472 -3.750 3.441 1.00 0.00 C ATOM 812 CD GLU A 51 2.983 -3.734 3.673 1.00 0.00 C ATOM 813 OE1 GLU A 51 3.581 -4.796 3.616 1.00 0.00 O ATOM 814 OE2 GLU A 51 3.515 -2.663 3.906 1.00 0.00 O ATOM 0 H GLU A 51 -0.535 -4.984 3.936 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.571 -3.476 1.457 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.463 -5.574 2.280 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.721 -4.127 1.326 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.096 -2.730 3.355 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.968 -4.205 4.293 1.00 0.00 H new ATOM 821 N GLN A 52 -1.110 -6.703 1.422 1.00 0.00 N ATOM 822 CA GLN A 52 -1.536 -7.821 0.537 1.00 0.00 C ATOM 823 C GLN A 52 -2.770 -7.375 -0.249 1.00 0.00 C ATOM 824 O GLN A 52 -2.868 -7.587 -1.440 1.00 0.00 O ATOM 825 CB GLN A 52 -1.883 -9.046 1.388 1.00 0.00 C ATOM 826 CG GLN A 52 -0.613 -9.586 2.056 1.00 0.00 C ATOM 827 CD GLN A 52 0.207 -10.382 1.038 1.00 0.00 C ATOM 828 OE1 GLN A 52 -0.171 -10.490 -0.113 1.00 0.00 O ATOM 829 NE2 GLN A 52 1.320 -10.948 1.414 1.00 0.00 N ATOM 0 H GLN A 52 -1.126 -6.911 2.420 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.731 -8.083 -0.149 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.619 -8.778 2.146 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.334 -9.818 0.765 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.019 -8.761 2.451 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.877 -10.222 2.901 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.637 -10.858 2.379 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.873 -11.481 0.743 1.00 0.00 H new ATOM 838 N ILE A 53 -3.707 -6.743 0.409 1.00 0.00 N ATOM 839 CA ILE A 53 -4.929 -6.270 -0.302 1.00 0.00 C ATOM 840 C ILE A 53 -4.505 -5.376 -1.469 1.00 0.00 C ATOM 841 O ILE A 53 -4.953 -5.539 -2.586 1.00 0.00 O ATOM 842 CB ILE A 53 -5.807 -5.466 0.666 1.00 0.00 C ATOM 843 CG1 ILE A 53 -6.241 -6.376 1.827 1.00 0.00 C ATOM 844 CG2 ILE A 53 -7.047 -4.947 -0.072 1.00 0.00 C ATOM 845 CD1 ILE A 53 -6.768 -5.538 3.002 1.00 0.00 C ATOM 0 H ILE A 53 -3.678 -6.535 1.407 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.495 -7.124 -0.674 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.242 -4.619 1.055 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -7.015 -7.064 1.487 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.397 -6.983 2.156 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -7.669 -4.376 0.618 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.737 -4.305 -0.897 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.617 -5.790 -0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.070 -6.199 3.814 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.982 -4.869 3.353 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -7.626 -4.951 2.674 1.00 0.00 H new ATOM 857 N ILE A 54 -3.641 -4.432 -1.213 1.00 0.00 N ATOM 858 CA ILE A 54 -3.182 -3.522 -2.297 1.00 0.00 C ATOM 859 C ILE A 54 -2.448 -4.329 -3.371 1.00 0.00 C ATOM 860 O ILE A 54 -2.737 -4.224 -4.547 1.00 0.00 O ATOM 861 CB ILE A 54 -2.227 -2.483 -1.697 1.00 0.00 C ATOM 862 CG1 ILE A 54 -3.036 -1.509 -0.827 1.00 0.00 C ATOM 863 CG2 ILE A 54 -1.516 -1.718 -2.821 1.00 0.00 C ATOM 864 CD1 ILE A 54 -2.098 -0.575 -0.032 1.00 0.00 C ATOM 0 H ILE A 54 -3.233 -4.252 -0.296 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.040 -3.024 -2.749 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.475 -2.982 -1.086 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.699 -0.916 -1.457 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.668 -2.069 -0.138 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.839 -0.981 -2.388 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.947 -2.417 -3.434 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.256 -1.211 -3.441 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.693 0.106 0.577 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.454 -1.171 0.614 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.484 0.000 -0.725 1.00 0.00 H new ATOM 876 N ALA A 55 -1.496 -5.127 -2.976 1.00 0.00 N ATOM 877 CA ALA A 55 -0.742 -5.932 -3.972 1.00 0.00 C ATOM 878 C ALA A 55 -1.723 -6.800 -4.757 1.00 0.00 C ATOM 879 O ALA A 55 -1.554 -7.041 -5.936 1.00 0.00 O ATOM 880 CB ALA A 55 0.264 -6.824 -3.239 1.00 0.00 C ATOM 0 H ALA A 55 -1.209 -5.256 -2.006 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.209 -5.274 -4.658 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.820 -7.417 -3.965 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.956 -6.202 -2.672 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.268 -7.489 -2.558 1.00 0.00 H new ATOM 886 N ASN A 56 -2.755 -7.265 -4.110 1.00 0.00 N ATOM 887 CA ASN A 56 -3.756 -8.113 -4.813 1.00 0.00 C ATOM 888 C ASN A 56 -4.345 -7.332 -5.986 1.00 0.00 C ATOM 889 O ASN A 56 -4.670 -7.888 -7.016 1.00 0.00 O ATOM 890 CB ASN A 56 -4.875 -8.500 -3.842 1.00 0.00 C ATOM 891 CG ASN A 56 -5.786 -9.535 -4.504 1.00 0.00 C ATOM 892 OD1 ASN A 56 -6.347 -9.285 -5.553 1.00 0.00 O ATOM 893 ND2 ASN A 56 -5.958 -10.697 -3.934 1.00 0.00 N ATOM 0 H ASN A 56 -2.948 -7.094 -3.123 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.272 -9.017 -5.182 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -4.451 -8.907 -2.924 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.451 -7.618 -3.563 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -6.563 -11.394 -4.369 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.488 -10.908 -3.054 1.00 0.00 H new ATOM 900 N ALA A 57 -4.494 -6.044 -5.833 1.00 0.00 N ATOM 901 CA ALA A 57 -5.071 -5.224 -6.934 1.00 0.00 C ATOM 902 C ALA A 57 -4.164 -5.292 -8.161 1.00 0.00 C ATOM 903 O ALA A 57 -4.626 -5.440 -9.276 1.00 0.00 O ATOM 904 CB ALA A 57 -5.206 -3.772 -6.468 1.00 0.00 C ATOM 0 H ALA A 57 -4.241 -5.525 -4.992 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.054 -5.613 -7.199 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.628 -3.170 -7.272 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.862 -3.728 -5.599 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -4.224 -3.383 -6.201 1.00 0.00 H new ATOM 910 N LEU A 58 -2.879 -5.186 -7.971 1.00 0.00 N ATOM 911 CA LEU A 58 -1.942 -5.244 -9.126 1.00 0.00 C ATOM 912 C LEU A 58 -1.536 -6.695 -9.371 1.00 0.00 C ATOM 913 O LEU A 58 -0.677 -6.982 -10.182 1.00 0.00 O ATOM 914 CB LEU A 58 -0.691 -4.433 -8.792 1.00 0.00 C ATOM 915 CG LEU A 58 -1.060 -2.966 -8.553 1.00 0.00 C ATOM 916 CD1 LEU A 58 0.159 -2.239 -7.974 1.00 0.00 C ATOM 917 CD2 LEU A 58 -1.487 -2.301 -9.879 1.00 0.00 C ATOM 0 H LEU A 58 -2.436 -5.061 -7.061 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.427 -4.839 -10.014 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.209 -4.843 -7.905 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.028 -4.507 -9.608 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.894 -2.908 -7.853 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.091 -1.192 -7.799 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.447 -2.706 -7.032 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.988 -2.301 -8.679 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.747 -1.258 -9.696 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.664 -2.350 -10.592 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.352 -2.824 -10.287 1.00 0.00 H new ATOM 929 N GLU A 59 -2.139 -7.617 -8.670 1.00 0.00 N ATOM 930 CA GLU A 59 -1.771 -9.046 -8.861 1.00 0.00 C ATOM 931 C GLU A 59 -0.262 -9.189 -8.663 1.00 0.00 C ATOM 932 O GLU A 59 0.359 -10.099 -9.176 1.00 0.00 O ATOM 933 CB GLU A 59 -2.160 -9.487 -10.281 1.00 0.00 C ATOM 934 CG GLU A 59 -2.267 -11.014 -10.352 1.00 0.00 C ATOM 935 CD GLU A 59 -2.847 -11.419 -11.708 1.00 0.00 C ATOM 936 OE1 GLU A 59 -3.124 -10.532 -12.500 1.00 0.00 O ATOM 937 OE2 GLU A 59 -3.007 -12.608 -11.931 1.00 0.00 O ATOM 0 H GLU A 59 -2.867 -7.442 -7.977 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.297 -9.673 -8.141 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.111 -9.035 -10.562 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.416 -9.134 -10.996 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.284 -11.465 -10.215 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.903 -11.383 -9.547 1.00 0.00 H new ATOM 944 N THR A 60 0.328 -8.284 -7.917 1.00 0.00 N ATOM 945 CA THR A 60 1.806 -8.341 -7.668 1.00 0.00 C ATOM 946 C THR A 60 2.067 -8.709 -6.204 1.00 0.00 C ATOM 947 O THR A 60 1.155 -9.010 -5.459 1.00 0.00 O ATOM 948 CB THR A 60 2.434 -6.972 -7.999 1.00 0.00 C ATOM 949 OG1 THR A 60 3.834 -7.128 -8.163 1.00 0.00 O ATOM 950 CG2 THR A 60 2.164 -5.961 -6.875 1.00 0.00 C ATOM 0 H THR A 60 -0.153 -7.505 -7.468 1.00 0.00 H new ATOM 0 HA THR A 60 2.258 -9.101 -8.305 1.00 0.00 H new ATOM 0 HB THR A 60 1.986 -6.596 -8.919 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.237 -6.260 -8.375 1.00 0.00 H new ATOM 0 HG21 THR A 60 2.617 -5.003 -7.131 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.089 -5.833 -6.751 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.595 -6.329 -5.944 1.00 0.00 H new ATOM 958 N LYS A 61 3.309 -8.693 -5.791 1.00 0.00 N ATOM 959 CA LYS A 61 3.647 -9.048 -4.377 1.00 0.00 C ATOM 960 C LYS A 61 3.923 -7.744 -3.592 1.00 0.00 C ATOM 961 O LYS A 61 4.382 -6.785 -4.178 1.00 0.00 O ATOM 962 CB LYS A 61 4.909 -9.927 -4.377 1.00 0.00 C ATOM 963 CG LYS A 61 4.868 -10.914 -5.552 1.00 0.00 C ATOM 964 CD LYS A 61 6.130 -11.801 -5.532 1.00 0.00 C ATOM 965 CE LYS A 61 6.487 -12.239 -6.957 1.00 0.00 C ATOM 966 NZ LYS A 61 5.375 -13.051 -7.523 1.00 0.00 N ATOM 0 H LYS A 61 4.109 -8.448 -6.375 1.00 0.00 H new ATOM 0 HA LYS A 61 2.824 -9.590 -3.911 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.798 -9.300 -4.450 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.981 -10.473 -3.436 1.00 0.00 H new ATOM 0 HG2 LYS A 61 3.975 -11.535 -5.487 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.810 -10.370 -6.495 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.963 -11.252 -5.092 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.959 -12.677 -4.906 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.667 -11.365 -7.583 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.409 -12.821 -6.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.699 -13.528 -8.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.076 -13.763 -6.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.572 -12.430 -7.750 1.00 0.00 H new ATOM 980 N PRO A 62 3.651 -7.724 -2.296 1.00 0.00 N ATOM 981 CA PRO A 62 3.892 -6.510 -1.487 1.00 0.00 C ATOM 982 C PRO A 62 5.380 -6.113 -1.545 1.00 0.00 C ATOM 983 O PRO A 62 5.721 -4.949 -1.469 1.00 0.00 O ATOM 984 CB PRO A 62 3.461 -6.897 -0.048 1.00 0.00 C ATOM 985 CG PRO A 62 3.094 -8.409 -0.066 1.00 0.00 C ATOM 986 CD PRO A 62 3.095 -8.870 -1.538 1.00 0.00 C ATOM 0 HA PRO A 62 3.335 -5.647 -1.851 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.268 -6.706 0.659 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.608 -6.298 0.272 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.813 -8.985 0.516 1.00 0.00 H new ATOM 0 HG3 PRO A 62 2.115 -8.571 0.386 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.703 -9.764 -1.671 1.00 0.00 H new ATOM 0 HD3 PRO A 62 2.088 -9.116 -1.876 1.00 0.00 H new ATOM 994 N GLU A 63 6.263 -7.067 -1.666 1.00 0.00 N ATOM 995 CA GLU A 63 7.720 -6.735 -1.719 1.00 0.00 C ATOM 996 C GLU A 63 8.022 -5.866 -2.948 1.00 0.00 C ATOM 997 O GLU A 63 9.139 -5.425 -3.141 1.00 0.00 O ATOM 998 CB GLU A 63 8.542 -8.023 -1.796 1.00 0.00 C ATOM 999 CG GLU A 63 7.960 -8.937 -2.871 1.00 0.00 C ATOM 1000 CD GLU A 63 8.945 -10.070 -3.167 1.00 0.00 C ATOM 1001 OE1 GLU A 63 10.073 -9.769 -3.523 1.00 0.00 O ATOM 1002 OE2 GLU A 63 8.557 -11.218 -3.031 1.00 0.00 O ATOM 0 H GLU A 63 6.041 -8.061 -1.730 1.00 0.00 H new ATOM 0 HA GLU A 63 7.986 -6.184 -0.817 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.582 -7.790 -2.026 1.00 0.00 H new ATOM 0 HB3 GLU A 63 8.535 -8.529 -0.831 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.007 -9.347 -2.537 1.00 0.00 H new ATOM 0 HG3 GLU A 63 7.761 -8.367 -3.779 1.00 0.00 H new ATOM 1009 N VAL A 64 7.049 -5.624 -3.789 1.00 0.00 N ATOM 1010 CA VAL A 64 7.298 -4.795 -5.013 1.00 0.00 C ATOM 1011 C VAL A 64 7.027 -3.321 -4.700 1.00 0.00 C ATOM 1012 O VAL A 64 7.665 -2.437 -5.237 1.00 0.00 O ATOM 1013 CB VAL A 64 6.369 -5.256 -6.137 1.00 0.00 C ATOM 1014 CG1 VAL A 64 6.669 -4.459 -7.407 1.00 0.00 C ATOM 1015 CG2 VAL A 64 6.603 -6.742 -6.409 1.00 0.00 C ATOM 0 H VAL A 64 6.093 -5.963 -3.683 1.00 0.00 H new ATOM 0 HA VAL A 64 8.336 -4.913 -5.325 1.00 0.00 H new ATOM 0 HB VAL A 64 5.333 -5.094 -5.841 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.007 -4.788 -8.208 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.509 -3.398 -7.217 1.00 0.00 H new ATOM 0 HG13 VAL A 64 7.705 -4.623 -7.703 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.942 -7.074 -7.210 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.640 -6.899 -6.706 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.394 -7.315 -5.505 1.00 0.00 H new ATOM 1025 N ILE A 65 6.097 -3.048 -3.826 1.00 0.00 N ATOM 1026 CA ILE A 65 5.792 -1.631 -3.466 1.00 0.00 C ATOM 1027 C ILE A 65 6.697 -1.219 -2.297 1.00 0.00 C ATOM 1028 O ILE A 65 6.978 -0.056 -2.097 1.00 0.00 O ATOM 1029 CB ILE A 65 4.313 -1.524 -3.070 1.00 0.00 C ATOM 1030 CG1 ILE A 65 3.424 -1.875 -4.285 1.00 0.00 C ATOM 1031 CG2 ILE A 65 4.002 -0.101 -2.589 1.00 0.00 C ATOM 1032 CD1 ILE A 65 2.096 -2.479 -3.804 1.00 0.00 C ATOM 0 H ILE A 65 5.532 -3.747 -3.343 1.00 0.00 H new ATOM 0 HA ILE A 65 5.976 -0.968 -4.311 1.00 0.00 H new ATOM 0 HB ILE A 65 4.107 -2.224 -2.260 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.233 -0.980 -4.878 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.942 -2.582 -4.933 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.951 -0.033 -2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.623 0.135 -1.725 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.211 0.608 -3.390 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.475 -2.724 -4.665 1.00 0.00 H new ATOM 0 HD12 ILE A 65 2.295 -3.384 -3.231 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.575 -1.758 -3.174 1.00 0.00 H new ATOM 1044 N TRP A 66 7.187 -2.179 -1.546 1.00 0.00 N ATOM 1045 CA TRP A 66 8.111 -1.879 -0.397 1.00 0.00 C ATOM 1046 C TRP A 66 9.339 -2.810 -0.502 1.00 0.00 C ATOM 1047 O TRP A 66 9.428 -3.776 0.228 1.00 0.00 O ATOM 1048 CB TRP A 66 7.373 -2.130 0.925 1.00 0.00 C ATOM 1049 CG TRP A 66 6.326 -1.080 1.093 1.00 0.00 C ATOM 1050 CD1 TRP A 66 6.544 0.159 1.592 1.00 0.00 C ATOM 1051 CD2 TRP A 66 4.912 -1.144 0.756 1.00 0.00 C ATOM 1052 NE1 TRP A 66 5.354 0.869 1.572 1.00 0.00 N ATOM 1053 CE2 TRP A 66 4.317 0.112 1.064 1.00 0.00 C ATOM 1054 CE3 TRP A 66 4.093 -2.157 0.211 1.00 0.00 C ATOM 1055 CZ2 TRP A 66 2.953 0.353 0.835 1.00 0.00 C ATOM 1056 CZ3 TRP A 66 2.719 -1.917 -0.023 1.00 0.00 C ATOM 1057 CH2 TRP A 66 2.153 -0.665 0.288 1.00 0.00 C ATOM 0 H TRP A 66 6.985 -3.170 -1.680 1.00 0.00 H new ATOM 0 HA TRP A 66 8.434 -0.839 -0.429 1.00 0.00 H new ATOM 0 HB2 TRP A 66 6.918 -3.121 0.922 1.00 0.00 H new ATOM 0 HB3 TRP A 66 8.073 -2.103 1.760 1.00 0.00 H new ATOM 0 HD1 TRP A 66 7.492 0.534 1.948 1.00 0.00 H new ATOM 0 HE1 TRP A 66 5.256 1.832 1.893 1.00 0.00 H new ATOM 0 HE3 TRP A 66 4.518 -3.120 -0.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 2.522 1.313 1.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 2.101 -2.697 -0.442 1.00 0.00 H new ATOM 0 HH2 TRP A 66 1.103 -0.487 0.106 1.00 0.00 H new ATOM 1068 N PRO A 67 10.233 -2.517 -1.432 1.00 0.00 N ATOM 1069 CA PRO A 67 11.434 -3.357 -1.675 1.00 0.00 C ATOM 1070 C PRO A 67 12.497 -3.196 -0.571 1.00 0.00 C ATOM 1071 O PRO A 67 12.858 -4.142 0.095 1.00 0.00 O ATOM 1072 CB PRO A 67 11.987 -2.850 -3.028 1.00 0.00 C ATOM 1073 CG PRO A 67 11.290 -1.492 -3.327 1.00 0.00 C ATOM 1074 CD PRO A 67 10.131 -1.338 -2.321 1.00 0.00 C ATOM 0 HA PRO A 67 11.180 -4.417 -1.681 1.00 0.00 H new ATOM 0 HB2 PRO A 67 13.069 -2.725 -2.980 1.00 0.00 H new ATOM 0 HB3 PRO A 67 11.784 -3.570 -3.821 1.00 0.00 H new ATOM 0 HG2 PRO A 67 11.996 -0.668 -3.228 1.00 0.00 H new ATOM 0 HG3 PRO A 67 10.916 -1.470 -4.350 1.00 0.00 H new ATOM 0 HD2 PRO A 67 10.220 -0.410 -1.757 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.168 -1.311 -2.830 1.00 0.00 H new ATOM 1082 N SER A 68 13.036 -2.015 -0.416 1.00 0.00 N ATOM 1083 CA SER A 68 14.115 -1.802 0.599 1.00 0.00 C ATOM 1084 C SER A 68 13.654 -2.200 2.003 1.00 0.00 C ATOM 1085 O SER A 68 14.364 -1.993 2.967 1.00 0.00 O ATOM 1086 CB SER A 68 14.519 -0.327 0.608 1.00 0.00 C ATOM 1087 OG SER A 68 13.701 0.376 1.535 1.00 0.00 O ATOM 0 H SER A 68 12.776 -1.185 -0.949 1.00 0.00 H new ATOM 0 HA SER A 68 14.962 -2.430 0.325 1.00 0.00 H new ATOM 0 HB2 SER A 68 15.569 -0.227 0.882 1.00 0.00 H new ATOM 0 HB3 SER A 68 14.408 0.099 -0.389 1.00 0.00 H new ATOM 0 HG SER A 68 14.267 0.909 2.132 1.00 0.00 H new ATOM 1093 N ARG A 69 12.482 -2.769 2.139 1.00 0.00 N ATOM 1094 CA ARG A 69 11.992 -3.181 3.493 1.00 0.00 C ATOM 1095 C ARG A 69 12.087 -4.705 3.617 1.00 0.00 C ATOM 1096 O ARG A 69 11.846 -5.268 4.665 1.00 0.00 O ATOM 1097 CB ARG A 69 10.532 -2.742 3.655 1.00 0.00 C ATOM 1098 CG ARG A 69 10.485 -1.249 4.026 1.00 0.00 C ATOM 1099 CD ARG A 69 10.992 -1.030 5.470 1.00 0.00 C ATOM 1100 NE ARG A 69 10.144 0.008 6.140 1.00 0.00 N ATOM 1101 CZ ARG A 69 9.890 1.150 5.561 1.00 0.00 C ATOM 1102 NH1 ARG A 69 10.496 1.474 4.455 1.00 0.00 N ATOM 1103 NH2 ARG A 69 9.058 1.988 6.115 1.00 0.00 N ATOM 0 H ARG A 69 11.842 -2.967 1.370 1.00 0.00 H new ATOM 0 HA ARG A 69 12.600 -2.713 4.267 1.00 0.00 H new ATOM 0 HB2 ARG A 69 9.984 -2.915 2.729 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.046 -3.336 4.429 1.00 0.00 H new ATOM 0 HG2 ARG A 69 11.097 -0.676 3.329 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.464 -0.878 3.933 1.00 0.00 H new ATOM 0 HD2 ARG A 69 10.951 -1.965 6.028 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.034 -0.712 5.457 1.00 0.00 H new ATOM 0 HE ARG A 69 9.758 -0.181 7.065 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.172 0.834 4.038 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.295 2.367 4.006 1.00 0.00 H new ATOM 0 HH21 ARG A 69 8.608 1.750 6.999 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.858 2.881 5.665 1.00 0.00 H new ATOM 1117 N TYR A 70 12.441 -5.370 2.545 1.00 0.00 N ATOM 1118 CA TYR A 70 12.571 -6.865 2.559 1.00 0.00 C ATOM 1119 C TYR A 70 13.978 -7.232 2.083 1.00 0.00 C ATOM 1120 O TYR A 70 14.369 -6.920 0.975 1.00 0.00 O ATOM 1121 CB TYR A 70 11.531 -7.480 1.607 1.00 0.00 C ATOM 1122 CG TYR A 70 10.188 -7.547 2.290 1.00 0.00 C ATOM 1123 CD1 TYR A 70 9.945 -8.524 3.276 1.00 0.00 C ATOM 1124 CD2 TYR A 70 9.183 -6.632 1.947 1.00 0.00 C ATOM 1125 CE1 TYR A 70 8.691 -8.579 3.918 1.00 0.00 C ATOM 1126 CE2 TYR A 70 7.930 -6.682 2.586 1.00 0.00 C ATOM 1127 CZ TYR A 70 7.684 -7.657 3.572 1.00 0.00 C ATOM 1128 OH TYR A 70 6.455 -7.707 4.200 1.00 0.00 O ATOM 0 H TYR A 70 12.649 -4.935 1.646 1.00 0.00 H new ATOM 0 HA TYR A 70 12.403 -7.247 3.566 1.00 0.00 H new ATOM 0 HB2 TYR A 70 11.458 -6.882 0.699 1.00 0.00 H new ATOM 0 HB3 TYR A 70 11.846 -8.479 1.306 1.00 0.00 H new ATOM 0 HD1 TYR A 70 10.719 -9.230 3.540 1.00 0.00 H new ATOM 0 HD2 TYR A 70 9.371 -5.886 1.189 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.503 -9.327 4.674 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.159 -5.974 2.321 1.00 0.00 H new ATOM 0 HH TYR A 70 5.877 -7.000 3.844 1.00 0.00 H new ATOM 1138 N GLN A 71 14.744 -7.891 2.906 1.00 0.00 N ATOM 1139 CA GLN A 71 16.125 -8.270 2.495 1.00 0.00 C ATOM 1140 C GLN A 71 16.577 -9.491 3.297 1.00 0.00 C ATOM 1141 O GLN A 71 17.669 -9.530 3.828 1.00 0.00 O ATOM 1142 CB GLN A 71 17.070 -7.095 2.759 1.00 0.00 C ATOM 1143 CG GLN A 71 16.906 -6.608 4.203 1.00 0.00 C ATOM 1144 CD GLN A 71 15.626 -5.778 4.328 1.00 0.00 C ATOM 1145 OE1 GLN A 71 15.130 -5.250 3.353 1.00 0.00 O ATOM 1146 NE2 GLN A 71 15.067 -5.641 5.500 1.00 0.00 N ATOM 0 H GLN A 71 14.474 -8.184 3.845 1.00 0.00 H new ATOM 0 HA GLN A 71 16.140 -8.514 1.433 1.00 0.00 H new ATOM 0 HB2 GLN A 71 18.102 -7.400 2.584 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.856 -6.282 2.065 1.00 0.00 H new ATOM 0 HG2 GLN A 71 16.865 -7.460 4.881 1.00 0.00 H new ATOM 0 HG3 GLN A 71 17.769 -6.009 4.495 1.00 0.00 H new ATOM 0 HE21 GLN A 71 15.484 -6.084 6.319 1.00 0.00 H new ATOM 0 HE22 GLN A 71 14.214 -5.091 5.597 1.00 0.00 H new ATOM 1155 N ALA A 72 15.736 -10.487 3.390 1.00 0.00 N ATOM 1156 CA ALA A 72 16.097 -11.717 4.154 1.00 0.00 C ATOM 1157 C ALA A 72 16.701 -12.748 3.199 1.00 0.00 C ATOM 1158 O ALA A 72 16.610 -13.940 3.421 1.00 0.00 O ATOM 1159 CB ALA A 72 14.836 -12.298 4.798 1.00 0.00 C ATOM 0 H ALA A 72 14.808 -10.501 2.966 1.00 0.00 H new ATOM 0 HA ALA A 72 16.823 -11.469 4.928 1.00 0.00 H new ATOM 0 HB1 ALA A 72 15.094 -13.197 5.357 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.401 -11.562 5.474 1.00 0.00 H new ATOM 0 HB3 ALA A 72 14.113 -12.549 4.021 1.00 0.00 H new ATOM 1165 N GLY A 73 17.308 -12.304 2.133 1.00 0.00 N ATOM 1166 CA GLY A 73 17.911 -13.265 1.165 1.00 0.00 C ATOM 1167 C GLY A 73 19.043 -14.032 1.846 1.00 0.00 C ATOM 1168 O GLY A 73 19.260 -13.915 3.035 1.00 0.00 O ATOM 0 H GLY A 73 17.413 -11.319 1.890 1.00 0.00 H new ATOM 0 HA2 GLY A 73 17.152 -13.960 0.805 1.00 0.00 H new ATOM 0 HA3 GLY A 73 18.292 -12.730 0.295 1.00 0.00 H new ATOM 1172 N GLU A 74 19.771 -14.823 1.100 1.00 0.00 N ATOM 1173 CA GLU A 74 20.896 -15.603 1.702 1.00 0.00 C ATOM 1174 C GLU A 74 22.205 -14.829 1.526 1.00 0.00 C ATOM 1175 O GLU A 74 23.252 -15.434 1.692 1.00 0.00 O ATOM 1176 CB GLU A 74 21.004 -16.957 0.999 1.00 0.00 C ATOM 1177 CG GLU A 74 19.789 -17.816 1.357 1.00 0.00 C ATOM 1178 CD GLU A 74 19.937 -18.344 2.783 1.00 0.00 C ATOM 1179 OE1 GLU A 74 20.723 -19.257 2.978 1.00 0.00 O ATOM 1180 OE2 GLU A 74 19.263 -17.827 3.659 1.00 0.00 O ATOM 1181 OXT GLU A 74 22.138 -13.648 1.229 1.00 0.00 O ATOM 0 H GLU A 74 19.635 -14.963 0.099 1.00 0.00 H new ATOM 0 HA GLU A 74 20.707 -15.757 2.764 1.00 0.00 H new ATOM 0 HB2 GLU A 74 21.057 -16.815 -0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 74 21.922 -17.463 1.300 1.00 0.00 H new ATOM 0 HG2 GLU A 74 18.876 -17.227 1.269 1.00 0.00 H new ATOM 0 HG3 GLU A 74 19.700 -18.648 0.658 1.00 0.00 H new TER 1188 GLU A 74