USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 562 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 39 ASN : amide:sc= 1.03 K(o=1.6,f=-6.3!) USER MOD Set 1.2: A 41 SER OG : rot 87:sc= 0.519 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc=-0.00483 X(o=-0.0048,f=-0.0048) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.0605 K(o=-0.061,f=-0.85) USER MOD Single : A 21 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 24 GLN : amide:sc= -0.205 K(o=-0.21,f=-2!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 MET CE :methyl 165:sc= -0.62 (180deg=-1.07) USER MOD Single : A 36 GLN : amide:sc= 0.834 K(o=0.83,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 171:sc=-0.000264 (180deg=-0.0705) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -160:sc= -0.128 USER MOD Single : A 47 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00327) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 91:sc= 0.358 USER MOD ----------------------------------------------------------------- ATOM 40 N ALA A 3 10.768 5.054 3.909 1.00 0.00 N ATOM 41 CA ALA A 3 9.763 4.348 4.675 1.00 0.00 C ATOM 42 C ALA A 3 9.483 5.106 5.969 1.00 0.00 C ATOM 43 O ALA A 3 8.495 5.816 6.079 1.00 0.00 O ATOM 44 CB ALA A 3 10.234 2.906 4.901 1.00 0.00 C ATOM 0 HA ALA A 3 8.817 4.297 4.136 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.484 2.364 5.478 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.376 2.415 3.938 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.177 2.913 5.448 1.00 0.00 H new ATOM 50 N SER A 4 10.338 4.889 6.963 1.00 0.00 N ATOM 51 CA SER A 4 10.205 5.092 8.400 1.00 0.00 C ATOM 52 C SER A 4 8.940 4.506 9.055 1.00 0.00 C ATOM 53 O SER A 4 9.010 4.145 10.230 1.00 0.00 O ATOM 54 CB SER A 4 10.459 6.548 8.808 1.00 0.00 C ATOM 55 OG SER A 4 11.091 6.574 10.078 1.00 0.00 O ATOM 0 H SER A 4 11.263 4.517 6.749 1.00 0.00 H new ATOM 0 HA SER A 4 11.006 4.482 8.818 1.00 0.00 H new ATOM 0 HB2 SER A 4 11.087 7.042 8.066 1.00 0.00 H new ATOM 0 HB3 SER A 4 9.518 7.097 8.846 1.00 0.00 H new ATOM 0 HG SER A 4 11.257 7.503 10.342 1.00 0.00 H new ATOM 61 N GLU A 5 7.865 4.250 8.317 1.00 0.00 N ATOM 62 CA GLU A 5 6.773 3.375 8.748 1.00 0.00 C ATOM 63 C GLU A 5 7.089 1.942 8.272 1.00 0.00 C ATOM 64 O GLU A 5 7.297 1.028 9.059 1.00 0.00 O ATOM 65 CB GLU A 5 5.410 3.949 8.290 1.00 0.00 C ATOM 66 CG GLU A 5 5.230 4.050 6.773 1.00 0.00 C ATOM 67 CD GLU A 5 4.259 5.139 6.305 1.00 0.00 C ATOM 68 OE1 GLU A 5 4.744 6.278 6.084 1.00 0.00 O ATOM 69 OE2 GLU A 5 3.099 4.822 5.972 1.00 0.00 O ATOM 0 H GLU A 5 7.723 4.649 7.389 1.00 0.00 H new ATOM 0 HA GLU A 5 6.688 3.327 9.834 1.00 0.00 H new ATOM 0 HB2 GLU A 5 4.614 3.324 8.695 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.286 4.942 8.723 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.204 4.233 6.319 1.00 0.00 H new ATOM 0 HG3 GLU A 5 4.880 3.088 6.399 1.00 0.00 H new ATOM 76 N LEU A 6 7.246 1.747 6.964 1.00 0.00 N ATOM 77 CA LEU A 6 7.232 0.429 6.315 1.00 0.00 C ATOM 78 C LEU A 6 8.536 -0.367 6.387 1.00 0.00 C ATOM 79 O LEU A 6 8.655 -1.462 5.839 1.00 0.00 O ATOM 80 CB LEU A 6 7.000 0.679 4.817 1.00 0.00 C ATOM 81 CG LEU A 6 5.558 0.868 4.324 1.00 0.00 C ATOM 82 CD1 LEU A 6 4.486 0.337 5.280 1.00 0.00 C ATOM 83 CD2 LEU A 6 5.371 2.343 3.919 1.00 0.00 C ATOM 0 H LEU A 6 7.390 2.515 6.308 1.00 0.00 H new ATOM 0 HA LEU A 6 6.469 -0.149 6.836 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.566 1.567 4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.431 -0.159 4.270 1.00 0.00 H new ATOM 0 HG LEU A 6 5.407 0.241 3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.499 0.512 4.853 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.631 -0.733 5.432 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.564 0.853 6.237 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.351 2.497 3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.557 2.983 4.781 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.072 2.594 3.123 1.00 0.00 H new ATOM 95 N ARG A 7 9.587 0.176 6.957 1.00 0.00 N ATOM 96 CA ARG A 7 10.772 -0.556 7.276 1.00 0.00 C ATOM 97 C ARG A 7 10.793 -0.965 8.753 1.00 0.00 C ATOM 98 O ARG A 7 11.631 -1.772 9.133 1.00 0.00 O ATOM 99 CB ARG A 7 11.933 0.310 6.788 1.00 0.00 C ATOM 100 CG ARG A 7 13.198 -0.510 6.819 1.00 0.00 C ATOM 101 CD ARG A 7 14.050 -0.237 8.061 1.00 0.00 C ATOM 102 NE ARG A 7 15.376 0.207 7.632 1.00 0.00 N ATOM 103 CZ ARG A 7 15.737 1.473 7.425 1.00 0.00 C ATOM 104 NH1 ARG A 7 14.961 2.484 7.821 1.00 0.00 N ATOM 105 NH2 ARG A 7 16.872 1.720 6.786 1.00 0.00 N ATOM 0 H ARG A 7 9.634 1.162 7.214 1.00 0.00 H new ATOM 0 HA ARG A 7 10.839 -1.522 6.775 1.00 0.00 H new ATOM 0 HB2 ARG A 7 11.739 0.666 5.776 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.039 1.191 7.421 1.00 0.00 H new ATOM 0 HG2 ARG A 7 12.941 -1.569 6.786 1.00 0.00 H new ATOM 0 HG3 ARG A 7 13.786 -0.297 5.926 1.00 0.00 H new ATOM 0 HD2 ARG A 7 13.579 0.525 8.682 1.00 0.00 H new ATOM 0 HD3 ARG A 7 14.132 -1.138 8.669 1.00 0.00 H new ATOM 0 HE ARG A 7 16.083 -0.512 7.479 1.00 0.00 H new ATOM 0 HH11 ARG A 7 14.076 2.294 8.290 1.00 0.00 H new ATOM 0 HH12 ARG A 7 15.253 3.447 7.654 1.00 0.00 H new ATOM 0 HH21 ARG A 7 17.453 0.947 6.462 1.00 0.00 H new ATOM 0 HH22 ARG A 7 17.164 2.683 6.619 1.00 0.00 H new ATOM 119 N ASN A 8 9.853 -0.459 9.549 1.00 0.00 N ATOM 120 CA ASN A 8 9.849 -0.588 10.999 1.00 0.00 C ATOM 121 C ASN A 8 9.338 -1.959 11.414 1.00 0.00 C ATOM 122 O ASN A 8 9.722 -2.471 12.467 1.00 0.00 O ATOM 123 CB ASN A 8 8.895 0.449 11.608 1.00 0.00 C ATOM 124 CG ASN A 8 8.913 0.402 13.123 1.00 0.00 C ATOM 125 OD1 ASN A 8 9.884 0.844 13.730 1.00 0.00 O ATOM 126 ND2 ASN A 8 7.854 -0.069 13.753 1.00 0.00 N ATOM 0 H ASN A 8 9.054 0.065 9.191 1.00 0.00 H new ATOM 0 HA ASN A 8 10.871 -0.441 11.348 1.00 0.00 H new ATOM 0 HB2 ASN A 8 9.178 1.446 11.271 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.882 0.267 11.250 1.00 0.00 H new ATOM 0 HD21 ASN A 8 7.827 -0.072 14.773 1.00 0.00 H new ATOM 0 HD22 ASN A 8 7.062 -0.430 13.220 1.00 0.00 H new ATOM 133 N TYR A 9 8.411 -2.513 10.630 1.00 0.00 N ATOM 134 CA TYR A 9 7.701 -3.693 11.038 1.00 0.00 C ATOM 135 C TYR A 9 8.539 -4.945 10.745 1.00 0.00 C ATOM 136 O TYR A 9 9.632 -4.850 10.165 1.00 0.00 O ATOM 137 CB TYR A 9 6.255 -3.615 10.615 1.00 0.00 C ATOM 138 CG TYR A 9 5.526 -2.422 11.179 1.00 0.00 C ATOM 139 CD1 TYR A 9 5.134 -2.414 12.530 1.00 0.00 C ATOM 140 CD2 TYR A 9 5.198 -1.345 10.342 1.00 0.00 C ATOM 141 CE1 TYR A 9 4.311 -1.383 13.018 1.00 0.00 C ATOM 142 CE2 TYR A 9 4.387 -0.302 10.815 1.00 0.00 C ATOM 143 CZ TYR A 9 3.900 -0.346 12.144 1.00 0.00 C ATOM 144 OH TYR A 9 2.954 0.546 12.558 1.00 0.00 O ATOM 0 H TYR A 9 8.146 -2.153 9.713 1.00 0.00 H new ATOM 0 HA TYR A 9 7.584 -3.775 12.119 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.205 -3.580 9.527 1.00 0.00 H new ATOM 0 HB3 TYR A 9 5.743 -4.525 10.929 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.465 -3.200 13.193 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.571 -1.318 9.329 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.995 -1.382 14.051 1.00 0.00 H new ATOM 0 HE2 TYR A 9 4.136 0.528 10.171 1.00 0.00 H new ATOM 0 HH TYR A 9 2.782 1.196 11.845 1.00 0.00 H new ATOM 154 N THR A 10 8.056 -6.126 11.118 1.00 0.00 N ATOM 155 CA THR A 10 8.648 -7.374 10.662 1.00 0.00 C ATOM 156 C THR A 10 8.130 -7.662 9.254 1.00 0.00 C ATOM 157 O THR A 10 6.989 -7.346 8.974 1.00 0.00 O ATOM 158 CB THR A 10 8.268 -8.498 11.634 1.00 0.00 C ATOM 159 OG1 THR A 10 6.870 -8.610 11.840 1.00 0.00 O ATOM 160 CG2 THR A 10 8.915 -8.214 12.988 1.00 0.00 C ATOM 0 H THR A 10 7.254 -6.243 11.737 1.00 0.00 H new ATOM 0 HA THR A 10 9.735 -7.305 10.634 1.00 0.00 H new ATOM 0 HB THR A 10 8.618 -9.431 11.192 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.689 -9.342 12.466 1.00 0.00 H new ATOM 0 HG21 THR A 10 8.653 -9.006 13.690 1.00 0.00 H new ATOM 0 HG22 THR A 10 9.998 -8.175 12.873 1.00 0.00 H new ATOM 0 HG23 THR A 10 8.556 -7.258 13.369 1.00 0.00 H new ATOM 168 N ASP A 11 8.917 -8.272 8.359 1.00 0.00 N ATOM 169 CA ASP A 11 8.566 -8.760 7.010 1.00 0.00 C ATOM 170 C ASP A 11 7.160 -9.379 6.970 1.00 0.00 C ATOM 171 O ASP A 11 6.463 -9.291 5.963 1.00 0.00 O ATOM 172 CB ASP A 11 9.622 -9.793 6.557 1.00 0.00 C ATOM 173 CG ASP A 11 11.010 -9.201 6.253 1.00 0.00 C ATOM 174 OD1 ASP A 11 11.703 -8.781 7.219 1.00 0.00 O ATOM 175 OD2 ASP A 11 11.443 -9.145 5.084 1.00 0.00 O ATOM 0 H ASP A 11 9.898 -8.454 8.573 1.00 0.00 H new ATOM 0 HA ASP A 11 8.559 -7.910 6.328 1.00 0.00 H new ATOM 0 HB2 ASP A 11 9.727 -10.550 7.334 1.00 0.00 H new ATOM 0 HB3 ASP A 11 9.255 -10.301 5.665 1.00 0.00 H new ATOM 180 N GLU A 12 6.770 -9.984 8.085 1.00 0.00 N ATOM 181 CA GLU A 12 5.485 -10.566 8.420 1.00 0.00 C ATOM 182 C GLU A 12 4.361 -9.556 8.724 1.00 0.00 C ATOM 183 O GLU A 12 3.282 -9.650 8.149 1.00 0.00 O ATOM 184 CB GLU A 12 5.741 -11.475 9.619 1.00 0.00 C ATOM 185 CG GLU A 12 4.537 -12.338 10.021 1.00 0.00 C ATOM 186 CD GLU A 12 3.784 -11.749 11.222 1.00 0.00 C ATOM 187 OE1 GLU A 12 4.446 -11.317 12.190 1.00 0.00 O ATOM 188 OE2 GLU A 12 2.529 -11.738 11.206 1.00 0.00 O ATOM 0 H GLU A 12 7.424 -10.088 8.861 1.00 0.00 H new ATOM 0 HA GLU A 12 5.108 -11.101 7.548 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.583 -12.129 9.392 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.034 -10.861 10.470 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.856 -12.428 9.174 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.877 -13.345 10.264 1.00 0.00 H new ATOM 195 N GLU A 13 4.587 -8.581 9.598 1.00 0.00 N ATOM 196 CA GLU A 13 3.686 -7.436 9.771 1.00 0.00 C ATOM 197 C GLU A 13 3.602 -6.611 8.483 1.00 0.00 C ATOM 198 O GLU A 13 2.525 -6.176 8.092 1.00 0.00 O ATOM 199 CB GLU A 13 4.234 -6.532 10.877 1.00 0.00 C ATOM 200 CG GLU A 13 3.508 -6.609 12.214 1.00 0.00 C ATOM 201 CD GLU A 13 2.719 -5.319 12.499 1.00 0.00 C ATOM 202 OE1 GLU A 13 1.744 -5.008 11.778 1.00 0.00 O ATOM 203 OE2 GLU A 13 3.034 -4.624 13.488 1.00 0.00 O ATOM 0 H GLU A 13 5.402 -8.558 10.211 1.00 0.00 H new ATOM 0 HA GLU A 13 2.695 -7.813 10.026 1.00 0.00 H new ATOM 0 HB2 GLU A 13 5.283 -6.782 11.039 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.203 -5.500 10.526 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.828 -7.461 12.212 1.00 0.00 H new ATOM 0 HG3 GLU A 13 4.230 -6.780 13.013 1.00 0.00 H new ATOM 210 N LEU A 14 4.740 -6.376 7.817 1.00 0.00 N ATOM 211 CA LEU A 14 4.861 -5.587 6.612 1.00 0.00 C ATOM 212 C LEU A 14 3.890 -6.170 5.615 1.00 0.00 C ATOM 213 O LEU A 14 2.991 -5.457 5.205 1.00 0.00 O ATOM 214 CB LEU A 14 6.294 -5.504 6.025 1.00 0.00 C ATOM 215 CG LEU A 14 7.346 -4.487 6.544 1.00 0.00 C ATOM 216 CD1 LEU A 14 6.797 -3.222 7.218 1.00 0.00 C ATOM 217 CD2 LEU A 14 8.373 -5.082 7.467 1.00 0.00 C ATOM 0 H LEU A 14 5.635 -6.754 8.128 1.00 0.00 H new ATOM 0 HA LEU A 14 4.629 -4.550 6.855 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.735 -6.494 6.136 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.184 -5.322 4.956 1.00 0.00 H new ATOM 0 HG LEU A 14 7.808 -4.190 5.602 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.626 -2.591 7.537 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.175 -2.674 6.511 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.199 -3.502 8.085 1.00 0.00 H new ATOM 0 HD21 LEU A 14 9.070 -4.306 7.784 1.00 0.00 H new ATOM 0 HD22 LEU A 14 7.876 -5.503 8.341 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.918 -5.869 6.946 1.00 0.00 H new ATOM 229 N LYS A 15 4.014 -7.440 5.215 1.00 0.00 N ATOM 230 CA LYS A 15 3.094 -8.008 4.248 1.00 0.00 C ATOM 231 C LYS A 15 1.659 -7.766 4.696 1.00 0.00 C ATOM 232 O LYS A 15 0.879 -7.305 3.883 1.00 0.00 O ATOM 233 CB LYS A 15 3.369 -9.485 3.967 1.00 0.00 C ATOM 234 CG LYS A 15 3.336 -10.309 5.256 1.00 0.00 C ATOM 235 CD LYS A 15 3.571 -11.816 5.127 1.00 0.00 C ATOM 236 CE LYS A 15 2.831 -12.517 6.272 1.00 0.00 C ATOM 237 NZ LYS A 15 1.719 -13.370 5.807 1.00 0.00 N ATOM 0 H LYS A 15 4.736 -8.080 5.546 1.00 0.00 H new ATOM 0 HA LYS A 15 3.251 -7.499 3.297 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.627 -9.869 3.268 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.343 -9.592 3.489 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.088 -9.906 5.934 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.366 -10.157 5.730 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.209 -12.176 4.164 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.637 -12.039 5.170 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.538 -13.127 6.834 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.442 -11.766 6.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.258 -13.816 6.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.026 -12.788 5.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.089 -14.107 5.173 1.00 0.00 H new ATOM 251 N ASN A 16 1.337 -7.944 5.971 1.00 0.00 N ATOM 252 CA ASN A 16 -0.017 -7.814 6.485 1.00 0.00 C ATOM 253 C ASN A 16 -0.541 -6.362 6.540 1.00 0.00 C ATOM 254 O ASN A 16 -1.701 -6.103 6.873 1.00 0.00 O ATOM 255 CB ASN A 16 -0.036 -8.476 7.864 1.00 0.00 C ATOM 256 CG ASN A 16 -1.451 -8.917 8.221 1.00 0.00 C ATOM 257 OD1 ASN A 16 -2.191 -9.428 7.381 1.00 0.00 O ATOM 258 ND2 ASN A 16 -1.882 -8.781 9.456 1.00 0.00 N ATOM 0 H ASN A 16 2.022 -8.187 6.687 1.00 0.00 H new ATOM 0 HA ASN A 16 -0.702 -8.308 5.795 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.633 -9.337 7.871 1.00 0.00 H new ATOM 0 HB3 ASN A 16 0.335 -7.778 8.615 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.819 -9.097 9.707 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -1.280 -8.359 10.163 1.00 0.00 H new ATOM 265 N LEU A 17 0.309 -5.409 6.158 1.00 0.00 N ATOM 266 CA LEU A 17 0.001 -3.998 5.887 1.00 0.00 C ATOM 267 C LEU A 17 0.037 -3.733 4.383 1.00 0.00 C ATOM 268 O LEU A 17 -0.758 -2.963 3.850 1.00 0.00 O ATOM 269 CB LEU A 17 1.023 -3.053 6.563 1.00 0.00 C ATOM 270 CG LEU A 17 0.553 -2.452 7.893 1.00 0.00 C ATOM 271 CD1 LEU A 17 0.623 -3.477 9.027 1.00 0.00 C ATOM 272 CD2 LEU A 17 1.414 -1.232 8.250 1.00 0.00 C ATOM 0 H LEU A 17 1.299 -5.612 6.019 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.992 -3.802 6.291 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.948 -3.603 6.735 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.258 -2.241 5.875 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.487 -2.148 7.772 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.283 -3.017 9.955 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.015 -4.328 8.788 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.652 -3.817 9.147 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.074 -0.811 9.196 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.456 -1.537 8.343 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.324 -0.481 7.465 1.00 0.00 H new ATOM 284 N LEU A 18 1.000 -4.313 3.671 1.00 0.00 N ATOM 285 CA LEU A 18 1.272 -3.922 2.297 1.00 0.00 C ATOM 286 C LEU A 18 0.306 -4.635 1.379 1.00 0.00 C ATOM 287 O LEU A 18 -0.098 -4.070 0.363 1.00 0.00 O ATOM 288 CB LEU A 18 2.729 -4.151 1.847 1.00 0.00 C ATOM 289 CG LEU A 18 3.892 -3.936 2.851 1.00 0.00 C ATOM 290 CD1 LEU A 18 5.175 -3.522 2.149 1.00 0.00 C ATOM 291 CD2 LEU A 18 3.741 -2.928 4.010 1.00 0.00 C ATOM 0 H LEU A 18 1.603 -5.055 4.026 1.00 0.00 H new ATOM 0 HA LEU A 18 1.128 -2.843 2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.799 -5.176 1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.912 -3.498 0.994 1.00 0.00 H new ATOM 0 HG LEU A 18 3.896 -4.928 3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.965 -3.382 2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.471 -4.299 1.444 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.011 -2.588 1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.655 -2.916 4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.558 -1.933 3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.902 -3.222 4.641 1.00 0.00 H new ATOM 303 N GLU A 19 -0.081 -5.845 1.765 1.00 0.00 N ATOM 304 CA GLU A 19 -1.221 -6.563 1.232 1.00 0.00 C ATOM 305 C GLU A 19 -2.481 -5.720 1.388 1.00 0.00 C ATOM 306 O GLU A 19 -3.208 -5.554 0.415 1.00 0.00 O ATOM 307 CB GLU A 19 -1.287 -7.955 1.886 1.00 0.00 C ATOM 308 CG GLU A 19 -2.010 -8.164 3.224 1.00 0.00 C ATOM 309 CD GLU A 19 -3.340 -8.895 2.981 1.00 0.00 C ATOM 310 OE1 GLU A 19 -4.317 -8.266 2.522 1.00 0.00 O ATOM 311 OE2 GLU A 19 -3.334 -10.150 3.075 1.00 0.00 O ATOM 0 H GLU A 19 0.414 -6.369 2.487 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.122 -6.736 0.160 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.751 -8.626 1.163 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.260 -8.294 2.021 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.383 -8.744 3.901 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.194 -7.203 3.704 1.00 0.00 H new ATOM 318 N GLU A 20 -2.672 -5.113 2.563 1.00 0.00 N ATOM 319 CA GLU A 20 -3.847 -4.339 2.916 1.00 0.00 C ATOM 320 C GLU A 20 -3.944 -3.113 2.013 1.00 0.00 C ATOM 321 O GLU A 20 -4.968 -2.906 1.379 1.00 0.00 O ATOM 322 CB GLU A 20 -3.846 -4.001 4.409 1.00 0.00 C ATOM 323 CG GLU A 20 -4.946 -2.992 4.736 1.00 0.00 C ATOM 324 CD GLU A 20 -4.984 -2.684 6.220 1.00 0.00 C ATOM 325 OE1 GLU A 20 -3.951 -2.188 6.741 1.00 0.00 O ATOM 326 OE2 GLU A 20 -6.049 -2.929 6.827 1.00 0.00 O ATOM 0 H GLU A 20 -1.984 -5.154 3.315 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.747 -4.930 2.747 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.994 -4.910 4.993 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.876 -3.594 4.694 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.778 -2.072 4.175 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.911 -3.387 4.419 1.00 0.00 H new ATOM 333 N LYS A 21 -2.897 -2.304 1.860 1.00 0.00 N ATOM 334 CA LYS A 21 -2.895 -1.207 0.921 1.00 0.00 C ATOM 335 C LYS A 21 -3.157 -1.774 -0.475 1.00 0.00 C ATOM 336 O LYS A 21 -4.085 -1.329 -1.154 1.00 0.00 O ATOM 337 CB LYS A 21 -1.575 -0.433 1.089 1.00 0.00 C ATOM 338 CG LYS A 21 -1.391 0.156 2.502 1.00 0.00 C ATOM 339 CD LYS A 21 -2.364 1.267 2.889 1.00 0.00 C ATOM 340 CE LYS A 21 -1.984 2.614 2.259 1.00 0.00 C ATOM 341 NZ LYS A 21 -2.808 3.661 2.876 1.00 0.00 N ATOM 0 H LYS A 21 -2.030 -2.399 2.389 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.688 -0.480 1.099 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.741 -1.099 0.869 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.540 0.375 0.358 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.484 -0.652 3.227 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.375 0.543 2.585 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.371 0.992 2.575 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.385 1.368 3.974 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.926 2.822 2.417 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.147 2.589 1.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.565 4.583 2.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.813 3.458 2.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.630 3.684 3.900 1.00 0.00 H new ATOM 355 N LYS A 22 -2.351 -2.729 -0.956 1.00 0.00 N ATOM 356 CA LYS A 22 -2.471 -3.234 -2.324 1.00 0.00 C ATOM 357 C LYS A 22 -3.888 -3.754 -2.628 1.00 0.00 C ATOM 358 O LYS A 22 -4.339 -3.562 -3.764 1.00 0.00 O ATOM 359 CB LYS A 22 -1.373 -4.281 -2.566 1.00 0.00 C ATOM 360 CG LYS A 22 -1.084 -4.516 -4.055 1.00 0.00 C ATOM 361 CD LYS A 22 0.232 -5.289 -4.251 1.00 0.00 C ATOM 362 CE LYS A 22 0.018 -6.661 -4.885 1.00 0.00 C ATOM 363 NZ LYS A 22 1.252 -7.472 -4.835 1.00 0.00 N ATOM 0 H LYS A 22 -1.607 -3.167 -0.413 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.321 -2.416 -3.028 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.457 -3.960 -2.070 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.670 -5.224 -2.106 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.906 -5.073 -4.504 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.027 -3.558 -4.573 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.903 -4.703 -4.879 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.724 -5.411 -3.286 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.785 -7.183 -4.365 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.299 -6.540 -5.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.076 -8.399 -5.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.010 -6.983 -5.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.539 -7.606 -3.845 1.00 0.00 H new ATOM 377 N ARG A 23 -4.617 -4.362 -1.682 1.00 0.00 N ATOM 378 CA ARG A 23 -6.044 -4.656 -1.853 1.00 0.00 C ATOM 379 C ARG A 23 -6.877 -3.388 -1.752 1.00 0.00 C ATOM 380 O ARG A 23 -7.641 -3.142 -2.670 1.00 0.00 O ATOM 381 CB ARG A 23 -6.559 -5.747 -0.899 1.00 0.00 C ATOM 382 CG ARG A 23 -6.539 -5.382 0.586 1.00 0.00 C ATOM 383 CD ARG A 23 -6.829 -6.555 1.504 1.00 0.00 C ATOM 384 NE ARG A 23 -8.190 -7.057 1.343 1.00 0.00 N ATOM 385 CZ ARG A 23 -8.598 -8.262 1.723 1.00 0.00 C ATOM 386 NH1 ARG A 23 -7.762 -9.108 2.330 1.00 0.00 N ATOM 387 NH2 ARG A 23 -9.859 -8.575 1.469 1.00 0.00 N ATOM 0 H ARG A 23 -4.237 -4.661 -0.784 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.157 -5.063 -2.858 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.582 -5.999 -1.180 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -5.958 -6.645 -1.043 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.562 -4.968 0.837 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -7.274 -4.598 0.769 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -6.121 -7.358 1.300 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -6.676 -6.251 2.539 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.875 -6.439 0.908 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -6.796 -8.832 2.507 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.089 -10.031 2.617 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.467 -7.903 1.002 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.222 -9.489 1.741 1.00 0.00 H new ATOM 401 N GLN A 24 -6.728 -2.566 -0.711 1.00 0.00 N ATOM 402 CA GLN A 24 -7.525 -1.386 -0.435 1.00 0.00 C ATOM 403 C GLN A 24 -7.642 -0.507 -1.663 1.00 0.00 C ATOM 404 O GLN A 24 -8.735 -0.065 -1.975 1.00 0.00 O ATOM 405 CB GLN A 24 -6.913 -0.555 0.693 1.00 0.00 C ATOM 406 CG GLN A 24 -7.385 -0.944 2.106 1.00 0.00 C ATOM 407 CD GLN A 24 -7.796 0.225 3.002 1.00 0.00 C ATOM 408 OE1 GLN A 24 -7.814 1.387 2.599 1.00 0.00 O ATOM 409 NE2 GLN A 24 -8.134 -0.045 4.252 1.00 0.00 N ATOM 0 H GLN A 24 -6.008 -2.721 -0.005 1.00 0.00 H new ATOM 0 HA GLN A 24 -8.513 -1.737 -0.137 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -5.828 -0.649 0.648 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.149 0.495 0.522 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -8.231 -1.625 2.014 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.585 -1.495 2.600 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.120 -1.008 4.588 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.409 0.710 4.880 1.00 0.00 H new ATOM 418 N LEU A 25 -6.560 -0.266 -2.402 1.00 0.00 N ATOM 419 CA LEU A 25 -6.660 0.462 -3.663 1.00 0.00 C ATOM 420 C LEU A 25 -7.729 -0.152 -4.565 1.00 0.00 C ATOM 421 O LEU A 25 -8.616 0.543 -5.066 1.00 0.00 O ATOM 422 CB LEU A 25 -5.302 0.444 -4.359 1.00 0.00 C ATOM 423 CG LEU A 25 -5.335 0.835 -5.845 1.00 0.00 C ATOM 424 CD1 LEU A 25 -5.874 2.258 -5.944 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.934 0.828 -6.453 1.00 0.00 C ATOM 0 H LEU A 25 -5.616 -0.560 -2.153 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.952 1.492 -3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.631 1.124 -3.834 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.877 -0.556 -4.270 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.957 0.118 -6.381 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.908 2.562 -6.990 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.878 2.297 -5.522 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.221 2.934 -5.391 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.992 1.109 -7.505 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.303 1.541 -5.922 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.505 -0.170 -6.367 1.00 0.00 H new ATOM 437 N MET A 26 -7.604 -1.452 -4.812 1.00 0.00 N ATOM 438 CA MET A 26 -8.574 -2.180 -5.617 1.00 0.00 C ATOM 439 C MET A 26 -9.971 -2.268 -4.977 1.00 0.00 C ATOM 440 O MET A 26 -10.935 -2.450 -5.720 1.00 0.00 O ATOM 441 CB MET A 26 -8.050 -3.591 -5.902 1.00 0.00 C ATOM 442 CG MET A 26 -6.725 -3.595 -6.665 1.00 0.00 C ATOM 443 SD MET A 26 -6.027 -5.248 -6.845 1.00 0.00 S ATOM 444 CE MET A 26 -4.855 -5.010 -8.202 1.00 0.00 C ATOM 0 H MET A 26 -6.835 -2.024 -4.463 1.00 0.00 H new ATOM 0 HA MET A 26 -8.693 -1.615 -6.542 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.921 -4.122 -4.959 1.00 0.00 H new ATOM 0 HB3 MET A 26 -8.796 -4.140 -6.477 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.879 -3.161 -7.653 1.00 0.00 H new ATOM 0 HG3 MET A 26 -6.010 -2.958 -6.145 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.352 -5.953 -8.418 1.00 0.00 H new ATOM 0 HE2 MET A 26 -5.390 -4.672 -9.090 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.115 -4.262 -7.917 1.00 0.00 H new ATOM 454 N GLU A 27 -10.112 -2.156 -3.656 1.00 0.00 N ATOM 455 CA GLU A 27 -11.369 -2.364 -2.917 1.00 0.00 C ATOM 456 C GLU A 27 -12.130 -1.043 -2.857 1.00 0.00 C ATOM 457 O GLU A 27 -13.337 -0.967 -3.061 1.00 0.00 O ATOM 458 CB GLU A 27 -11.094 -2.832 -1.469 1.00 0.00 C ATOM 459 CG GLU A 27 -10.374 -4.192 -1.360 1.00 0.00 C ATOM 460 CD GLU A 27 -11.161 -5.312 -0.653 1.00 0.00 C ATOM 461 OE1 GLU A 27 -12.415 -5.290 -0.702 1.00 0.00 O ATOM 462 OE2 GLU A 27 -10.507 -6.200 -0.045 1.00 0.00 O ATOM 0 H GLU A 27 -9.332 -1.910 -3.046 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.948 -3.130 -3.432 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.492 -2.076 -0.965 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.042 -2.894 -0.935 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.122 -4.530 -2.365 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.434 -4.043 -0.828 1.00 0.00 H new ATOM 469 N LEU A 28 -11.401 0.042 -2.640 1.00 0.00 N ATOM 470 CA LEU A 28 -11.937 1.378 -2.629 1.00 0.00 C ATOM 471 C LEU A 28 -12.450 1.701 -4.021 1.00 0.00 C ATOM 472 O LEU A 28 -13.612 2.062 -4.170 1.00 0.00 O ATOM 473 CB LEU A 28 -10.877 2.361 -2.126 1.00 0.00 C ATOM 474 CG LEU A 28 -10.765 2.510 -0.592 1.00 0.00 C ATOM 475 CD1 LEU A 28 -10.847 1.228 0.242 1.00 0.00 C ATOM 476 CD2 LEU A 28 -9.435 3.193 -0.260 1.00 0.00 C ATOM 0 H LEU A 28 -10.397 0.007 -2.463 1.00 0.00 H new ATOM 0 HA LEU A 28 -12.777 1.463 -1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.907 2.048 -2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.088 3.342 -2.552 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.647 3.089 -0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.755 1.475 1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.806 0.740 0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.039 0.555 -0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -9.343 3.305 0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.611 2.585 -0.634 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.403 4.176 -0.730 1.00 0.00 H new ATOM 488 N ARG A 29 -11.648 1.515 -5.074 1.00 0.00 N ATOM 489 CA ARG A 29 -12.137 1.763 -6.445 1.00 0.00 C ATOM 490 C ARG A 29 -13.386 0.931 -6.759 1.00 0.00 C ATOM 491 O ARG A 29 -14.281 1.387 -7.474 1.00 0.00 O ATOM 492 CB ARG A 29 -11.041 1.595 -7.513 1.00 0.00 C ATOM 493 CG ARG A 29 -10.677 0.138 -7.812 1.00 0.00 C ATOM 494 CD ARG A 29 -9.687 0.011 -8.979 1.00 0.00 C ATOM 495 NE ARG A 29 -9.765 -1.319 -9.623 1.00 0.00 N ATOM 496 CZ ARG A 29 -10.320 -1.601 -10.816 1.00 0.00 C ATOM 497 NH1 ARG A 29 -10.883 -0.666 -11.576 1.00 0.00 N ATOM 498 NH2 ARG A 29 -10.323 -2.859 -11.252 1.00 0.00 N ATOM 0 H ARG A 29 -10.679 1.201 -5.014 1.00 0.00 H new ATOM 0 HA ARG A 29 -12.429 2.812 -6.483 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.372 2.072 -8.436 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.145 2.122 -7.185 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.244 -0.316 -6.921 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.584 -0.420 -8.046 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.894 0.785 -9.718 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.673 0.180 -8.616 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.357 -2.101 -9.111 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.904 0.304 -11.260 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.294 -0.918 -12.475 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.908 -3.597 -10.683 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.741 -3.085 -12.155 1.00 0.00 H new ATOM 512 N PHE A 30 -13.461 -0.276 -6.203 1.00 0.00 N ATOM 513 CA PHE A 30 -14.599 -1.170 -6.302 1.00 0.00 C ATOM 514 C PHE A 30 -15.828 -0.571 -5.589 1.00 0.00 C ATOM 515 O PHE A 30 -16.945 -0.768 -6.062 1.00 0.00 O ATOM 516 CB PHE A 30 -14.126 -2.533 -5.764 1.00 0.00 C ATOM 517 CG PHE A 30 -15.152 -3.596 -5.479 1.00 0.00 C ATOM 518 CD1 PHE A 30 -15.684 -4.359 -6.533 1.00 0.00 C ATOM 519 CD2 PHE A 30 -15.478 -3.904 -4.144 1.00 0.00 C ATOM 520 CE1 PHE A 30 -16.554 -5.423 -6.250 1.00 0.00 C ATOM 521 CE2 PHE A 30 -16.343 -4.972 -3.862 1.00 0.00 C ATOM 522 CZ PHE A 30 -16.890 -5.717 -4.920 1.00 0.00 C ATOM 0 H PHE A 30 -12.698 -0.668 -5.651 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.942 -1.309 -7.327 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.417 -2.943 -6.483 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -13.575 -2.350 -4.841 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -15.424 -4.127 -7.555 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -15.062 -3.318 -3.338 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -16.964 -6.015 -7.055 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -16.586 -5.220 -2.839 1.00 0.00 H new ATOM 0 HZ PHE A 30 -17.576 -6.524 -4.707 1.00 0.00 H new ATOM 532 N GLN A 31 -15.672 0.259 -4.546 1.00 0.00 N ATOM 533 CA GLN A 31 -16.780 0.930 -3.906 1.00 0.00 C ATOM 534 C GLN A 31 -17.202 2.118 -4.757 1.00 0.00 C ATOM 535 O GLN A 31 -18.372 2.470 -4.733 1.00 0.00 O ATOM 536 CB GLN A 31 -16.407 1.406 -2.491 1.00 0.00 C ATOM 537 CG GLN A 31 -16.202 0.264 -1.488 1.00 0.00 C ATOM 538 CD GLN A 31 -16.775 0.640 -0.120 1.00 0.00 C ATOM 539 OE1 GLN A 31 -16.362 1.627 0.490 1.00 0.00 O ATOM 540 NE2 GLN A 31 -17.757 -0.089 0.375 1.00 0.00 N ATOM 0 H GLN A 31 -14.765 0.475 -4.132 1.00 0.00 H new ATOM 0 HA GLN A 31 -17.605 0.224 -3.813 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -15.493 1.997 -2.546 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -17.192 2.066 -2.121 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -16.686 -0.641 -1.855 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -15.139 0.041 -1.394 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -18.094 -0.905 -0.136 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -18.179 0.164 1.268 1.00 0.00 H new ATOM 549 N LEU A 32 -16.299 2.757 -5.504 1.00 0.00 N ATOM 550 CA LEU A 32 -16.649 3.910 -6.338 1.00 0.00 C ATOM 551 C LEU A 32 -17.591 3.489 -7.442 1.00 0.00 C ATOM 552 O LEU A 32 -18.664 4.064 -7.603 1.00 0.00 O ATOM 553 CB LEU A 32 -15.398 4.523 -6.967 1.00 0.00 C ATOM 554 CG LEU A 32 -15.600 5.900 -7.606 1.00 0.00 C ATOM 555 CD1 LEU A 32 -16.534 6.007 -8.813 1.00 0.00 C ATOM 556 CD2 LEU A 32 -16.011 6.949 -6.564 1.00 0.00 C ATOM 0 H LEU A 32 -15.315 2.494 -5.549 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.132 4.650 -5.700 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.628 4.605 -6.200 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -15.020 3.839 -7.727 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.608 6.094 -8.014 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -16.574 7.042 -9.152 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.161 5.375 -9.619 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.534 5.680 -8.529 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.146 7.914 -7.053 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -16.947 6.647 -6.093 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.233 7.032 -5.805 1.00 0.00 H new ATOM 568 N ALA A 33 -17.157 2.463 -8.167 1.00 0.00 N ATOM 569 CA ALA A 33 -17.920 1.760 -9.181 1.00 0.00 C ATOM 570 C ALA A 33 -19.316 1.450 -8.647 1.00 0.00 C ATOM 571 O ALA A 33 -20.297 1.646 -9.361 1.00 0.00 O ATOM 572 CB ALA A 33 -17.180 0.477 -9.585 1.00 0.00 C ATOM 0 H ALA A 33 -16.217 2.084 -8.054 1.00 0.00 H new ATOM 0 HA ALA A 33 -18.025 2.385 -10.068 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -17.755 -0.050 -10.347 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -16.198 0.733 -9.983 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -17.061 -0.165 -8.712 1.00 0.00 H new ATOM 578 N MET A 34 -19.409 0.994 -7.393 1.00 0.00 N ATOM 579 CA MET A 34 -20.669 0.652 -6.772 1.00 0.00 C ATOM 580 C MET A 34 -21.423 1.882 -6.234 1.00 0.00 C ATOM 581 O MET A 34 -22.620 1.816 -5.960 1.00 0.00 O ATOM 582 CB MET A 34 -20.408 -0.413 -5.696 1.00 0.00 C ATOM 583 CG MET A 34 -20.372 -1.830 -6.293 1.00 0.00 C ATOM 584 SD MET A 34 -21.952 -2.725 -6.212 1.00 0.00 S ATOM 585 CE MET A 34 -22.957 -1.820 -7.415 1.00 0.00 C ATOM 0 H MET A 34 -18.601 0.855 -6.787 1.00 0.00 H new ATOM 0 HA MET A 34 -21.339 0.237 -7.525 1.00 0.00 H new ATOM 0 HB2 MET A 34 -19.461 -0.204 -5.199 1.00 0.00 H new ATOM 0 HB3 MET A 34 -21.186 -0.359 -4.934 1.00 0.00 H new ATOM 0 HG2 MET A 34 -20.060 -1.763 -7.335 1.00 0.00 H new ATOM 0 HG3 MET A 34 -19.613 -2.411 -5.770 1.00 0.00 H new ATOM 0 HE1 MET A 34 -23.841 -2.406 -7.665 1.00 0.00 H new ATOM 0 HE2 MET A 34 -23.263 -0.865 -6.988 1.00 0.00 H new ATOM 0 HE3 MET A 34 -22.372 -1.643 -8.318 1.00 0.00 H new ATOM 595 N GLY A 35 -20.756 3.021 -6.081 1.00 0.00 N ATOM 596 CA GLY A 35 -21.305 4.319 -5.736 1.00 0.00 C ATOM 597 C GLY A 35 -21.291 4.583 -4.243 1.00 0.00 C ATOM 598 O GLY A 35 -22.165 5.292 -3.755 1.00 0.00 O ATOM 0 H GLY A 35 -19.744 3.059 -6.205 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -20.734 5.097 -6.244 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -22.329 4.385 -6.103 1.00 0.00 H new ATOM 602 N GLN A 36 -20.316 4.022 -3.524 1.00 0.00 N ATOM 603 CA GLN A 36 -20.322 3.943 -2.067 1.00 0.00 C ATOM 604 C GLN A 36 -19.085 4.646 -1.497 1.00 0.00 C ATOM 605 O GLN A 36 -19.053 5.022 -0.329 1.00 0.00 O ATOM 606 CB GLN A 36 -20.365 2.470 -1.613 1.00 0.00 C ATOM 607 CG GLN A 36 -21.230 1.542 -2.484 1.00 0.00 C ATOM 608 CD GLN A 36 -22.735 1.672 -2.237 1.00 0.00 C ATOM 609 OE1 GLN A 36 -23.204 1.420 -1.133 1.00 0.00 O ATOM 610 NE2 GLN A 36 -23.539 1.940 -3.252 1.00 0.00 N ATOM 0 H GLN A 36 -19.488 3.604 -3.948 1.00 0.00 H new ATOM 0 HA GLN A 36 -21.212 4.446 -1.689 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -19.347 2.082 -1.596 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -20.737 2.433 -0.589 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -21.026 1.753 -3.534 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -20.931 0.510 -2.303 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -23.148 2.150 -4.171 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -24.550 1.937 -3.116 1.00 0.00 H new ATOM 619 N LEU A 37 -18.053 4.805 -2.331 1.00 0.00 N ATOM 620 CA LEU A 37 -16.829 5.545 -2.045 1.00 0.00 C ATOM 621 C LEU A 37 -17.138 7.017 -1.778 1.00 0.00 C ATOM 622 O LEU A 37 -17.718 7.688 -2.633 1.00 0.00 O ATOM 623 CB LEU A 37 -15.859 5.373 -3.210 1.00 0.00 C ATOM 624 CG LEU A 37 -14.437 5.884 -2.917 1.00 0.00 C ATOM 625 CD1 LEU A 37 -13.457 5.310 -3.936 1.00 0.00 C ATOM 626 CD2 LEU A 37 -14.269 7.408 -2.937 1.00 0.00 C ATOM 0 H LEU A 37 -18.052 4.400 -3.267 1.00 0.00 H new ATOM 0 HA LEU A 37 -16.363 5.150 -1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.808 4.317 -3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -16.253 5.901 -4.079 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.236 5.550 -1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -12.453 5.676 -3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.466 4.222 -3.877 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.751 5.621 -4.939 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.232 7.663 -2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.537 7.791 -3.922 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.918 7.856 -2.185 1.00 0.00 H new ATOM 638 N LYS A 38 -16.722 7.536 -0.621 1.00 0.00 N ATOM 639 CA LYS A 38 -17.012 8.899 -0.178 1.00 0.00 C ATOM 640 C LYS A 38 -15.806 9.821 -0.396 1.00 0.00 C ATOM 641 O LYS A 38 -15.011 10.000 0.526 1.00 0.00 O ATOM 642 CB LYS A 38 -17.497 8.816 1.281 1.00 0.00 C ATOM 643 CG LYS A 38 -18.133 10.118 1.781 1.00 0.00 C ATOM 644 CD LYS A 38 -18.921 9.861 3.071 1.00 0.00 C ATOM 645 CE LYS A 38 -19.832 11.022 3.493 1.00 0.00 C ATOM 646 NZ LYS A 38 -20.924 11.287 2.524 1.00 0.00 N ATOM 0 H LYS A 38 -16.162 7.008 0.048 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.804 9.354 -0.772 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -18.222 8.007 1.371 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.654 8.561 1.923 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -17.359 10.864 1.962 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -18.795 10.525 1.017 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -19.529 8.966 2.940 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -18.218 9.654 3.878 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -20.266 10.800 4.468 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -19.231 11.924 3.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -21.591 11.973 2.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -20.523 11.674 1.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -21.425 10.400 2.314 1.00 0.00 H new ATOM 660 N ASN A 39 -15.654 10.387 -1.603 1.00 0.00 N ATOM 661 CA ASN A 39 -14.666 11.401 -2.039 1.00 0.00 C ATOM 662 C ASN A 39 -13.405 10.738 -2.601 1.00 0.00 C ATOM 663 O ASN A 39 -12.655 10.096 -1.858 1.00 0.00 O ATOM 664 CB ASN A 39 -14.277 12.408 -0.935 1.00 0.00 C ATOM 665 CG ASN A 39 -13.623 13.673 -1.481 1.00 0.00 C ATOM 666 OD1 ASN A 39 -12.823 13.646 -2.417 1.00 0.00 O ATOM 667 ND2 ASN A 39 -13.947 14.810 -0.896 1.00 0.00 N ATOM 0 H ASN A 39 -16.272 10.127 -2.372 1.00 0.00 H new ATOM 0 HA ASN A 39 -15.165 11.969 -2.824 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -15.169 12.682 -0.371 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -13.594 11.926 -0.236 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.533 15.685 -1.218 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -14.611 14.814 -0.122 1.00 0.00 H new ATOM 674 N THR A 40 -13.154 10.878 -3.909 1.00 0.00 N ATOM 675 CA THR A 40 -12.002 10.249 -4.565 1.00 0.00 C ATOM 676 C THR A 40 -10.650 10.891 -4.195 1.00 0.00 C ATOM 677 O THR A 40 -9.604 10.323 -4.522 1.00 0.00 O ATOM 678 CB THR A 40 -12.210 10.176 -6.090 1.00 0.00 C ATOM 679 OG1 THR A 40 -12.442 11.448 -6.669 1.00 0.00 O ATOM 680 CG2 THR A 40 -13.378 9.258 -6.464 1.00 0.00 C ATOM 0 H THR A 40 -13.740 11.427 -4.538 1.00 0.00 H new ATOM 0 HA THR A 40 -11.947 9.231 -4.179 1.00 0.00 H new ATOM 0 HB THR A 40 -11.280 9.769 -6.486 1.00 0.00 H new ATOM 0 HG1 THR A 40 -12.566 11.350 -7.636 1.00 0.00 H new ATOM 0 HG21 THR A 40 -13.490 9.235 -7.548 1.00 0.00 H new ATOM 0 HG22 THR A 40 -13.180 8.250 -6.098 1.00 0.00 H new ATOM 0 HG23 THR A 40 -14.296 9.635 -6.012 1.00 0.00 H new ATOM 688 N SER A 41 -10.628 12.021 -3.472 1.00 0.00 N ATOM 689 CA SER A 41 -9.386 12.620 -2.976 1.00 0.00 C ATOM 690 C SER A 41 -8.626 11.671 -2.045 1.00 0.00 C ATOM 691 O SER A 41 -7.405 11.763 -1.937 1.00 0.00 O ATOM 692 CB SER A 41 -9.661 13.957 -2.285 1.00 0.00 C ATOM 693 OG SER A 41 -10.312 14.834 -3.192 1.00 0.00 O ATOM 0 H SER A 41 -11.468 12.541 -3.217 1.00 0.00 H new ATOM 0 HA SER A 41 -8.749 12.805 -3.841 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.283 13.802 -1.403 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.726 14.400 -1.942 1.00 0.00 H new ATOM 0 HG SER A 41 -11.279 14.681 -3.158 1.00 0.00 H new ATOM 699 N LEU A 42 -9.329 10.725 -1.419 1.00 0.00 N ATOM 700 CA LEU A 42 -8.714 9.679 -0.635 1.00 0.00 C ATOM 701 C LEU A 42 -8.133 8.628 -1.589 1.00 0.00 C ATOM 702 O LEU A 42 -6.950 8.346 -1.499 1.00 0.00 O ATOM 703 CB LEU A 42 -9.779 9.167 0.349 1.00 0.00 C ATOM 704 CG LEU A 42 -9.308 8.404 1.596 1.00 0.00 C ATOM 705 CD1 LEU A 42 -8.848 6.979 1.301 1.00 0.00 C ATOM 706 CD2 LEU A 42 -8.225 9.180 2.351 1.00 0.00 C ATOM 0 H LEU A 42 -10.347 10.672 -1.449 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.868 10.015 -0.035 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.362 10.025 0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.457 8.516 -0.203 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.186 8.317 2.236 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.530 6.500 2.227 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.672 6.414 0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.014 7.004 0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.914 8.612 3.228 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.367 9.336 1.697 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.622 10.145 2.666 1.00 0.00 H new ATOM 718 N ILE A 43 -8.870 8.131 -2.586 1.00 0.00 N ATOM 719 CA ILE A 43 -8.447 7.028 -3.456 1.00 0.00 C ATOM 720 C ILE A 43 -7.119 7.347 -4.125 1.00 0.00 C ATOM 721 O ILE A 43 -6.229 6.503 -4.245 1.00 0.00 O ATOM 722 CB ILE A 43 -9.551 6.660 -4.481 1.00 0.00 C ATOM 723 CG1 ILE A 43 -9.899 5.156 -4.416 1.00 0.00 C ATOM 724 CG2 ILE A 43 -9.308 7.069 -5.940 1.00 0.00 C ATOM 725 CD1 ILE A 43 -8.835 4.124 -4.833 1.00 0.00 C ATOM 0 H ILE A 43 -9.796 8.491 -2.816 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.292 6.145 -2.837 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.393 7.273 -4.158 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -10.192 4.930 -3.391 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.777 4.994 -5.041 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.153 6.754 -6.552 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.200 8.152 -6.001 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.398 6.592 -6.305 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.242 3.119 -4.728 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.551 4.293 -5.872 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -7.957 4.228 -4.195 1.00 0.00 H new ATOM 737 N LYS A 44 -6.987 8.581 -4.605 1.00 0.00 N ATOM 738 CA LYS A 44 -5.856 9.037 -5.399 1.00 0.00 C ATOM 739 C LYS A 44 -4.566 9.055 -4.611 1.00 0.00 C ATOM 740 O LYS A 44 -3.491 8.820 -5.146 1.00 0.00 O ATOM 741 CB LYS A 44 -6.227 10.413 -5.923 1.00 0.00 C ATOM 742 CG LYS A 44 -6.318 11.571 -4.929 1.00 0.00 C ATOM 743 CD LYS A 44 -5.259 12.667 -5.062 1.00 0.00 C ATOM 744 CE LYS A 44 -3.905 12.343 -4.429 1.00 0.00 C ATOM 745 NZ LYS A 44 -3.010 13.522 -4.420 1.00 0.00 N ATOM 0 H LYS A 44 -7.684 9.309 -4.447 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.664 8.348 -6.221 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.496 10.686 -6.684 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.192 10.328 -6.423 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.301 12.032 -5.030 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -6.260 11.161 -3.921 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.107 12.876 -6.121 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.645 13.580 -4.609 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.055 11.992 -3.408 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.431 11.530 -4.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.102 13.265 -3.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.847 13.842 -5.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.452 14.289 -3.874 1.00 0.00 H new ATOM 759 N LEU A 45 -4.674 9.338 -3.327 1.00 0.00 N ATOM 760 CA LEU A 45 -3.693 9.239 -2.306 1.00 0.00 C ATOM 761 C LEU A 45 -3.472 7.752 -2.037 1.00 0.00 C ATOM 762 O LEU A 45 -2.319 7.346 -1.940 1.00 0.00 O ATOM 763 CB LEU A 45 -4.300 10.087 -1.185 1.00 0.00 C ATOM 764 CG LEU A 45 -3.634 10.044 0.148 1.00 0.00 C ATOM 765 CD1 LEU A 45 -2.135 9.951 -0.033 1.00 0.00 C ATOM 766 CD2 LEU A 45 -4.023 11.291 0.881 1.00 0.00 C ATOM 0 H LEU A 45 -5.558 9.680 -2.950 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.689 9.612 -2.507 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.317 11.124 -1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.337 9.778 -1.053 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.945 9.170 0.721 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.652 9.920 0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.891 9.045 -0.588 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.781 10.821 -0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.554 11.296 1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.693 12.163 0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.106 11.323 0.996 1.00 0.00 H new ATOM 778 N THR A 46 -4.519 6.925 -1.976 1.00 0.00 N ATOM 779 CA THR A 46 -4.378 5.502 -1.757 1.00 0.00 C ATOM 780 C THR A 46 -3.433 4.921 -2.810 1.00 0.00 C ATOM 781 O THR A 46 -2.392 4.415 -2.440 1.00 0.00 O ATOM 782 CB THR A 46 -5.757 4.816 -1.662 1.00 0.00 C ATOM 783 OG1 THR A 46 -6.667 5.660 -1.010 1.00 0.00 O ATOM 784 CG2 THR A 46 -5.734 3.537 -0.825 1.00 0.00 C ATOM 0 H THR A 46 -5.486 7.234 -2.078 1.00 0.00 H new ATOM 0 HA THR A 46 -3.914 5.304 -0.790 1.00 0.00 H new ATOM 0 HB THR A 46 -6.038 4.589 -2.690 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.419 5.131 -0.671 1.00 0.00 H new ATOM 0 HG21 THR A 46 -6.733 3.103 -0.797 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.040 2.823 -1.270 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.412 3.772 0.189 1.00 0.00 H new ATOM 792 N LYS A 47 -3.653 5.091 -4.120 1.00 0.00 N ATOM 793 CA LYS A 47 -2.693 4.612 -5.157 1.00 0.00 C ATOM 794 C LYS A 47 -1.241 5.055 -4.973 1.00 0.00 C ATOM 795 O LYS A 47 -0.365 4.220 -5.189 1.00 0.00 O ATOM 796 CB LYS A 47 -3.125 4.729 -6.630 1.00 0.00 C ATOM 797 CG LYS A 47 -4.053 5.890 -6.836 1.00 0.00 C ATOM 798 CD LYS A 47 -5.527 5.492 -6.888 1.00 0.00 C ATOM 799 CE LYS A 47 -5.903 4.954 -8.280 1.00 0.00 C ATOM 800 NZ LYS A 47 -7.338 5.126 -8.597 1.00 0.00 N ATOM 0 H LYS A 47 -4.480 5.553 -4.499 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.733 3.545 -4.937 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.244 4.848 -7.261 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.617 3.808 -6.941 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.907 6.609 -6.029 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.789 6.396 -7.765 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.729 4.732 -6.133 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.149 6.354 -6.647 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.306 5.466 -9.035 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.648 3.896 -8.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.525 4.777 -9.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.911 4.588 -7.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.588 6.134 -8.540 1.00 0.00 H new ATOM 814 N ARG A 48 -0.956 6.307 -4.604 1.00 0.00 N ATOM 815 CA ARG A 48 0.442 6.753 -4.438 1.00 0.00 C ATOM 816 C ARG A 48 1.085 5.938 -3.344 1.00 0.00 C ATOM 817 O ARG A 48 2.210 5.456 -3.498 1.00 0.00 O ATOM 818 CB ARG A 48 0.596 8.259 -4.114 1.00 0.00 C ATOM 819 CG ARG A 48 -0.644 9.034 -4.493 1.00 0.00 C ATOM 820 CD ARG A 48 -0.460 10.549 -4.397 1.00 0.00 C ATOM 821 NE ARG A 48 -0.775 11.208 -5.679 1.00 0.00 N ATOM 822 CZ ARG A 48 0.104 11.664 -6.571 1.00 0.00 C ATOM 823 NH1 ARG A 48 1.409 11.682 -6.329 1.00 0.00 N ATOM 824 NH2 ARG A 48 -0.362 12.089 -7.726 1.00 0.00 N ATOM 0 H ARG A 48 -1.657 7.024 -4.416 1.00 0.00 H new ATOM 0 HA ARG A 48 0.934 6.601 -5.399 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.795 8.385 -3.050 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.456 8.662 -4.649 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.930 8.773 -5.512 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -1.466 8.732 -3.844 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -1.104 10.947 -3.613 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.567 10.776 -4.112 1.00 0.00 H new ATOM 0 HE ARG A 48 -1.763 11.326 -5.905 1.00 0.00 H new ATOM 0 HH11 ARG A 48 1.767 11.340 -5.437 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.054 12.038 -7.035 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.364 12.062 -7.913 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.279 12.445 -8.435 1.00 0.00 H new ATOM 838 N ASP A 49 0.387 5.846 -2.222 1.00 0.00 N ATOM 839 CA ASP A 49 0.912 5.211 -1.030 1.00 0.00 C ATOM 840 C ASP A 49 0.905 3.717 -1.259 1.00 0.00 C ATOM 841 O ASP A 49 1.929 3.110 -1.008 1.00 0.00 O ATOM 842 CB ASP A 49 0.141 5.631 0.218 1.00 0.00 C ATOM 843 CG ASP A 49 0.932 6.489 1.199 1.00 0.00 C ATOM 844 OD1 ASP A 49 2.188 6.421 1.211 1.00 0.00 O ATOM 845 OD2 ASP A 49 0.280 7.288 1.895 1.00 0.00 O ATOM 0 H ASP A 49 -0.560 6.211 -2.116 1.00 0.00 H new ATOM 0 HA ASP A 49 1.937 5.534 -0.846 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.748 6.181 -0.089 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.202 4.735 0.735 1.00 0.00 H new ATOM 850 N ILE A 50 -0.138 3.125 -1.857 1.00 0.00 N ATOM 851 CA ILE A 50 -0.129 1.740 -2.334 1.00 0.00 C ATOM 852 C ILE A 50 1.135 1.502 -3.092 1.00 0.00 C ATOM 853 O ILE A 50 1.784 0.519 -2.815 1.00 0.00 O ATOM 854 CB ILE A 50 -1.323 1.355 -3.241 1.00 0.00 C ATOM 855 CG1 ILE A 50 -2.383 0.689 -2.379 1.00 0.00 C ATOM 856 CG2 ILE A 50 -1.009 0.309 -4.342 1.00 0.00 C ATOM 857 CD1 ILE A 50 -3.247 1.691 -1.633 1.00 0.00 C ATOM 0 H ILE A 50 -1.023 3.604 -2.024 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.209 1.117 -1.443 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.621 2.288 -3.719 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.018 0.066 -3.008 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.898 0.028 -1.661 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.910 0.109 -4.921 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.233 0.697 -5.001 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.663 -0.615 -3.878 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.986 1.159 -1.034 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -2.619 2.298 -0.980 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -3.756 2.336 -2.349 1.00 0.00 H new ATOM 869 N ALA A 51 1.475 2.351 -4.047 1.00 0.00 N ATOM 870 CA ALA A 51 2.607 2.073 -4.880 1.00 0.00 C ATOM 871 C ALA A 51 3.875 2.128 -4.020 1.00 0.00 C ATOM 872 O ALA A 51 4.669 1.200 -4.071 1.00 0.00 O ATOM 873 CB ALA A 51 2.536 3.051 -6.048 1.00 0.00 C ATOM 0 H ALA A 51 0.986 3.222 -4.254 1.00 0.00 H new ATOM 0 HA ALA A 51 2.618 1.072 -5.312 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.380 2.881 -6.717 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.605 2.899 -6.594 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.573 4.073 -5.670 1.00 0.00 H new ATOM 879 N ARG A 52 4.025 3.118 -3.138 1.00 0.00 N ATOM 880 CA ARG A 52 5.127 3.198 -2.175 1.00 0.00 C ATOM 881 C ARG A 52 5.187 1.969 -1.262 1.00 0.00 C ATOM 882 O ARG A 52 6.213 1.285 -1.241 1.00 0.00 O ATOM 883 CB ARG A 52 4.996 4.550 -1.439 1.00 0.00 C ATOM 884 CG ARG A 52 6.140 4.985 -0.515 1.00 0.00 C ATOM 885 CD ARG A 52 6.102 4.275 0.842 1.00 0.00 C ATOM 886 NE ARG A 52 6.602 5.139 1.922 1.00 0.00 N ATOM 887 CZ ARG A 52 5.893 5.614 2.964 1.00 0.00 C ATOM 888 NH1 ARG A 52 4.568 5.484 3.053 1.00 0.00 N ATOM 889 NH2 ARG A 52 6.533 6.208 3.958 1.00 0.00 N ATOM 0 H ARG A 52 3.374 3.900 -3.071 1.00 0.00 H new ATOM 0 HA ARG A 52 6.094 3.176 -2.678 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.862 5.327 -2.191 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.082 4.519 -0.846 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.093 4.780 -1.002 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.087 6.062 -0.359 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.080 3.969 1.064 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.703 3.367 0.795 1.00 0.00 H new ATOM 0 HE ARG A 52 7.586 5.406 1.877 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.051 5.009 2.313 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.072 5.860 3.861 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.548 6.301 3.928 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.011 6.573 4.755 1.00 0.00 H new ATOM 903 N ILE A 53 4.128 1.697 -0.501 1.00 0.00 N ATOM 904 CA ILE A 53 3.907 0.512 0.312 1.00 0.00 C ATOM 905 C ILE A 53 4.178 -0.769 -0.465 1.00 0.00 C ATOM 906 O ILE A 53 5.079 -1.511 -0.112 1.00 0.00 O ATOM 907 CB ILE A 53 2.483 0.582 0.936 1.00 0.00 C ATOM 908 CG1 ILE A 53 2.456 1.495 2.175 1.00 0.00 C ATOM 909 CG2 ILE A 53 2.029 -0.799 1.374 1.00 0.00 C ATOM 910 CD1 ILE A 53 1.985 2.923 1.954 1.00 0.00 C ATOM 0 H ILE A 53 3.347 2.350 -0.435 1.00 0.00 H new ATOM 0 HA ILE A 53 4.625 0.489 1.132 1.00 0.00 H new ATOM 0 HB ILE A 53 1.820 0.982 0.169 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.811 1.035 2.924 1.00 0.00 H new ATOM 0 HG13 ILE A 53 3.461 1.528 2.596 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.031 -0.733 1.808 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.006 -1.465 0.511 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.723 -1.192 2.117 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.011 3.465 2.899 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.641 3.415 1.236 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.966 2.914 1.568 1.00 0.00 H new ATOM 922 N LYS A 54 3.424 -1.070 -1.507 1.00 0.00 N ATOM 923 CA LYS A 54 3.475 -2.348 -2.178 1.00 0.00 C ATOM 924 C LYS A 54 4.865 -2.547 -2.798 1.00 0.00 C ATOM 925 O LYS A 54 5.349 -3.681 -2.852 1.00 0.00 O ATOM 926 CB LYS A 54 2.280 -2.507 -3.149 1.00 0.00 C ATOM 927 CG LYS A 54 2.509 -1.808 -4.502 1.00 0.00 C ATOM 928 CD LYS A 54 3.282 -2.648 -5.535 1.00 0.00 C ATOM 929 CE LYS A 54 2.759 -2.293 -6.929 1.00 0.00 C ATOM 930 NZ LYS A 54 3.525 -2.919 -8.020 1.00 0.00 N ATOM 0 H LYS A 54 2.750 -0.421 -1.914 1.00 0.00 H new ATOM 0 HA LYS A 54 3.352 -3.166 -1.468 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.097 -3.568 -3.320 1.00 0.00 H new ATOM 0 HB3 LYS A 54 1.383 -2.100 -2.683 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.541 -1.537 -4.924 1.00 0.00 H new ATOM 0 HG3 LYS A 54 3.052 -0.879 -4.329 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.351 -2.445 -5.467 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.147 -3.711 -5.338 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.716 -2.599 -7.006 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.784 -1.210 -7.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.119 -2.638 -8.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.516 -2.608 -7.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.482 -3.954 -7.925 1.00 0.00 H new ATOM 944 N THR A 55 5.547 -1.463 -3.189 1.00 0.00 N ATOM 945 CA THR A 55 6.941 -1.515 -3.590 1.00 0.00 C ATOM 946 C THR A 55 7.821 -1.932 -2.413 1.00 0.00 C ATOM 947 O THR A 55 8.701 -2.733 -2.657 1.00 0.00 O ATOM 948 CB THR A 55 7.380 -0.178 -4.203 1.00 0.00 C ATOM 949 OG1 THR A 55 6.841 -0.055 -5.509 1.00 0.00 O ATOM 950 CG2 THR A 55 8.895 0.020 -4.295 1.00 0.00 C ATOM 0 H THR A 55 5.139 -0.529 -3.233 1.00 0.00 H new ATOM 0 HA THR A 55 7.059 -2.273 -4.364 1.00 0.00 H new ATOM 0 HB THR A 55 7.002 0.586 -3.524 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.968 0.387 -5.462 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.109 0.992 -4.740 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.329 -0.025 -3.296 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.328 -0.766 -4.914 1.00 0.00 H new ATOM 958 N ILE A 56 7.619 -1.493 -1.160 1.00 0.00 N ATOM 959 CA ILE A 56 8.453 -1.944 -0.023 1.00 0.00 C ATOM 960 C ILE A 56 8.503 -3.467 0.010 1.00 0.00 C ATOM 961 O ILE A 56 9.587 -4.036 0.121 1.00 0.00 O ATOM 962 CB ILE A 56 7.984 -1.383 1.338 1.00 0.00 C ATOM 963 CG1 ILE A 56 8.238 0.133 1.397 1.00 0.00 C ATOM 964 CG2 ILE A 56 8.466 -2.157 2.597 1.00 0.00 C ATOM 965 CD1 ILE A 56 9.546 0.577 2.051 1.00 0.00 C ATOM 0 H ILE A 56 6.889 -0.828 -0.904 1.00 0.00 H new ATOM 0 HA ILE A 56 9.455 -1.546 -0.185 1.00 0.00 H new ATOM 0 HB ILE A 56 6.909 -1.555 1.383 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.215 0.523 0.380 1.00 0.00 H new ATOM 0 HG13 ILE A 56 7.412 0.597 1.935 1.00 0.00 H new ATOM 0 HG21 ILE A 56 8.076 -1.673 3.493 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.105 -3.184 2.553 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.556 -2.157 2.629 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.611 1.665 2.033 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.573 0.229 3.084 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.388 0.154 1.504 1.00 0.00 H new ATOM 977 N LEU A 57 7.332 -4.100 -0.093 1.00 0.00 N ATOM 978 CA LEU A 57 7.216 -5.551 -0.135 1.00 0.00 C ATOM 979 C LEU A 57 8.076 -6.041 -1.284 1.00 0.00 C ATOM 980 O LEU A 57 9.017 -6.780 -1.043 1.00 0.00 O ATOM 981 CB LEU A 57 5.747 -5.996 -0.194 1.00 0.00 C ATOM 982 CG LEU A 57 5.516 -7.420 -0.712 1.00 0.00 C ATOM 983 CD1 LEU A 57 6.369 -8.478 -0.025 1.00 0.00 C ATOM 984 CD2 LEU A 57 4.039 -7.773 -0.523 1.00 0.00 C ATOM 0 H LEU A 57 6.437 -3.614 -0.150 1.00 0.00 H new ATOM 0 HA LEU A 57 7.586 -6.010 0.782 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.320 -5.917 0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.199 -5.302 -0.831 1.00 0.00 H new ATOM 0 HG LEU A 57 5.809 -7.424 -1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.145 -9.457 -0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 57 7.424 -8.249 -0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.149 -8.486 1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.857 -8.784 -0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.784 -7.717 0.535 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.422 -7.070 -1.083 1.00 0.00 H new ATOM 996 N ARG A 58 7.819 -5.564 -2.502 1.00 0.00 N ATOM 997 CA ARG A 58 8.606 -5.905 -3.686 1.00 0.00 C ATOM 998 C ARG A 58 10.089 -5.823 -3.381 1.00 0.00 C ATOM 999 O ARG A 58 10.770 -6.812 -3.554 1.00 0.00 O ATOM 1000 CB ARG A 58 8.268 -5.023 -4.891 1.00 0.00 C ATOM 1001 CG ARG A 58 8.394 -5.781 -6.227 1.00 0.00 C ATOM 1002 CD ARG A 58 9.739 -6.519 -6.428 1.00 0.00 C ATOM 1003 NE ARG A 58 10.156 -6.633 -7.835 1.00 0.00 N ATOM 1004 CZ ARG A 58 9.655 -7.462 -8.755 1.00 0.00 C ATOM 1005 NH1 ARG A 58 8.560 -8.170 -8.514 1.00 0.00 N ATOM 1006 NH2 ARG A 58 10.261 -7.571 -9.929 1.00 0.00 N ATOM 0 H ARG A 58 7.050 -4.923 -2.696 1.00 0.00 H new ATOM 0 HA ARG A 58 8.346 -6.930 -3.952 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.252 -4.643 -4.786 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.932 -4.158 -4.903 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.583 -6.507 -6.295 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.258 -5.073 -7.045 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.516 -5.995 -5.871 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.660 -7.519 -6.001 1.00 0.00 H new ATOM 0 HE ARG A 58 10.907 -6.014 -8.140 1.00 0.00 H new ATOM 0 HH11 ARG A 58 8.086 -8.086 -7.615 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.191 -8.798 -9.228 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.101 -7.025 -10.122 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.888 -8.201 -10.639 1.00 0.00 H new ATOM 1020 N GLU A 59 10.585 -4.679 -2.935 1.00 0.00 N ATOM 1021 CA GLU A 59 11.984 -4.426 -2.610 1.00 0.00 C ATOM 1022 C GLU A 59 12.512 -5.543 -1.677 1.00 0.00 C ATOM 1023 O GLU A 59 13.624 -6.032 -1.870 1.00 0.00 O ATOM 1024 CB GLU A 59 12.137 -3.008 -2.004 1.00 0.00 C ATOM 1025 CG GLU A 59 11.544 -1.852 -2.834 1.00 0.00 C ATOM 1026 CD GLU A 59 12.500 -0.780 -3.368 1.00 0.00 C ATOM 1027 OE1 GLU A 59 12.859 0.146 -2.588 1.00 0.00 O ATOM 1028 OE2 GLU A 59 12.731 -0.767 -4.602 1.00 0.00 O ATOM 0 H GLU A 59 9.996 -3.861 -2.782 1.00 0.00 H new ATOM 0 HA GLU A 59 12.593 -4.450 -3.514 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.667 -3.002 -1.021 1.00 0.00 H new ATOM 0 HB3 GLU A 59 13.198 -2.812 -1.851 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.022 -2.287 -3.686 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.793 -1.353 -2.221 1.00 0.00 H new ATOM 1035 N ARG A 60 11.704 -6.013 -0.715 1.00 0.00 N ATOM 1036 CA ARG A 60 12.035 -7.112 0.200 1.00 0.00 C ATOM 1037 C ARG A 60 11.858 -8.508 -0.395 1.00 0.00 C ATOM 1038 O ARG A 60 12.300 -9.472 0.235 1.00 0.00 O ATOM 1039 CB ARG A 60 11.181 -7.045 1.483 1.00 0.00 C ATOM 1040 CG ARG A 60 11.542 -5.874 2.395 1.00 0.00 C ATOM 1041 CD ARG A 60 10.945 -6.071 3.804 1.00 0.00 C ATOM 1042 NE ARG A 60 11.861 -5.572 4.840 1.00 0.00 N ATOM 1043 CZ ARG A 60 13.108 -6.017 5.049 1.00 0.00 C ATOM 1044 NH1 ARG A 60 13.458 -7.231 4.644 1.00 0.00 N ATOM 1045 NH2 ARG A 60 13.985 -5.213 5.641 1.00 0.00 N ATOM 0 H ARG A 60 10.775 -5.626 -0.549 1.00 0.00 H new ATOM 0 HA ARG A 60 13.094 -6.968 0.414 1.00 0.00 H new ATOM 0 HB2 ARG A 60 10.129 -6.969 1.206 1.00 0.00 H new ATOM 0 HB3 ARG A 60 11.298 -7.976 2.037 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.626 -5.782 2.464 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.170 -4.944 1.965 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.991 -5.548 3.875 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.742 -7.129 3.972 1.00 0.00 H new ATOM 0 HE ARG A 60 11.520 -4.828 5.448 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.778 -7.827 4.173 1.00 0.00 H new ATOM 0 HH12 ARG A 60 14.407 -7.568 4.804 1.00 0.00 H new ATOM 0 HH21 ARG A 60 13.704 -4.275 5.928 1.00 0.00 H new ATOM 0 HH22 ARG A 60 14.939 -5.534 5.809 1.00 0.00 H new ATOM 1059 N GLU A 61 11.215 -8.661 -1.550 1.00 0.00 N ATOM 1060 CA GLU A 61 11.093 -9.939 -2.226 1.00 0.00 C ATOM 1061 C GLU A 61 12.510 -10.342 -2.634 1.00 0.00 C ATOM 1062 O GLU A 61 12.914 -11.461 -2.325 1.00 0.00 O ATOM 1063 CB GLU A 61 10.103 -9.909 -3.415 1.00 0.00 C ATOM 1064 CG GLU A 61 8.662 -9.550 -3.001 1.00 0.00 C ATOM 1065 CD GLU A 61 7.641 -9.431 -4.140 1.00 0.00 C ATOM 1066 OE1 GLU A 61 8.030 -9.271 -5.325 1.00 0.00 O ATOM 1067 OE2 GLU A 61 6.418 -9.357 -3.859 1.00 0.00 O ATOM 0 H GLU A 61 10.762 -7.891 -2.043 1.00 0.00 H new ATOM 0 HA GLU A 61 10.658 -10.684 -1.560 1.00 0.00 H new ATOM 0 HB2 GLU A 61 10.453 -9.186 -4.152 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.101 -10.884 -3.902 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.308 -10.307 -2.301 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.686 -8.603 -2.462 1.00 0.00 H new ATOM 1074 N LEU A 62 13.275 -9.436 -3.266 1.00 0.00 N ATOM 1075 CA LEU A 62 14.618 -9.729 -3.736 1.00 0.00 C ATOM 1076 C LEU A 62 15.691 -9.400 -2.693 1.00 0.00 C ATOM 1077 O LEU A 62 16.693 -10.108 -2.639 1.00 0.00 O ATOM 1078 CB LEU A 62 14.946 -8.975 -5.038 1.00 0.00 C ATOM 1079 CG LEU A 62 13.821 -8.579 -6.014 1.00 0.00 C ATOM 1080 CD1 LEU A 62 12.782 -9.659 -6.342 1.00 0.00 C ATOM 1081 CD2 LEU A 62 13.160 -7.271 -5.614 1.00 0.00 C ATOM 0 H LEU A 62 12.969 -8.482 -3.460 1.00 0.00 H new ATOM 0 HA LEU A 62 14.631 -10.803 -3.924 1.00 0.00 H new ATOM 0 HB2 LEU A 62 15.467 -8.059 -4.758 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.655 -9.587 -5.595 1.00 0.00 H new ATOM 0 HG LEU A 62 14.349 -8.441 -6.957 1.00 0.00 H new ATOM 0 HD11 LEU A 62 12.046 -9.256 -7.038 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.279 -10.516 -6.796 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.282 -9.973 -5.426 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.373 -7.028 -6.328 1.00 0.00 H new ATOM 0 HD22 LEU A 62 12.729 -7.371 -4.618 1.00 0.00 H new ATOM 0 HD23 LEU A 62 13.904 -6.474 -5.609 1.00 0.00 H new ATOM 1093 N GLY A 63 15.529 -8.326 -1.906 1.00 0.00 N ATOM 1094 CA GLY A 63 16.537 -7.905 -0.928 1.00 0.00 C ATOM 1095 C GLY A 63 17.137 -6.532 -1.174 1.00 0.00 C ATOM 1096 O GLY A 63 18.230 -6.232 -0.687 1.00 0.00 O ATOM 0 H GLY A 63 14.701 -7.730 -1.931 1.00 0.00 H new ATOM 0 HA2 GLY A 63 16.085 -7.915 0.064 1.00 0.00 H new ATOM 0 HA3 GLY A 63 17.342 -8.640 -0.919 1.00 0.00 H new ATOM 1100 N ILE A 64 16.402 -5.661 -1.857 1.00 0.00 N ATOM 1101 CA ILE A 64 16.729 -4.263 -2.033 1.00 0.00 C ATOM 1102 C ILE A 64 16.721 -3.517 -0.691 1.00 0.00 C ATOM 1103 O ILE A 64 17.291 -2.435 -0.558 1.00 0.00 O ATOM 1104 CB ILE A 64 15.694 -3.672 -3.009 1.00 0.00 C ATOM 1105 CG1 ILE A 64 15.716 -4.346 -4.392 1.00 0.00 C ATOM 1106 CG2 ILE A 64 15.787 -2.148 -3.125 1.00 0.00 C ATOM 1107 CD1 ILE A 64 16.893 -3.911 -5.257 1.00 0.00 C ATOM 0 H ILE A 64 15.531 -5.926 -2.318 1.00 0.00 H new ATOM 0 HA ILE A 64 17.736 -4.155 -2.437 1.00 0.00 H new ATOM 0 HB ILE A 64 14.724 -3.897 -2.566 1.00 0.00 H new ATOM 0 HG12 ILE A 64 15.751 -5.427 -4.261 1.00 0.00 H new ATOM 0 HG13 ILE A 64 14.787 -4.118 -4.914 1.00 0.00 H new ATOM 0 HG21 ILE A 64 15.033 -1.790 -3.826 1.00 0.00 H new ATOM 0 HG22 ILE A 64 15.616 -1.698 -2.147 1.00 0.00 H new ATOM 0 HG23 ILE A 64 16.778 -1.870 -3.484 1.00 0.00 H new ATOM 0 HD11 ILE A 64 16.848 -4.424 -6.218 1.00 0.00 H new ATOM 0 HD12 ILE A 64 16.848 -2.834 -5.418 1.00 0.00 H new ATOM 0 HD13 ILE A 64 17.827 -4.164 -4.755 1.00 0.00 H new