USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 477 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 Single : P 1 ALA N :NH3+ -177:sc= -0.202 (180deg=-0.213) USER MOD Single : P 2 MET CE :methyl 155:sc= -0.128 (180deg=-0.993) USER MOD Single : P 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 6 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.33) USER MOD Single : P 7 TYR OH : rot 180:sc= 0 USER MOD Single : P 9 THR OG1 : rot 83:sc= 1.1 USER MOD Single : P 11 SER OG : rot -9:sc= -0.193 USER MOD Single : P 17 SER OG : rot 180:sc= 0 USER MOD Single : P 18 THR OG1 : rot -71:sc= 0.526 USER MOD Single : P 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : P 23 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : P 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : P 27 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : P 28 ASN : amide:sc= -2.01 X(o=-2,f=-2.5) USER MOD Single : P 30 GLN : amide:sc= -0.164 X(o=-0.16,f=-0.45) USER MOD Single : P 31 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : P 35 ASN : amide:sc= -0.0476 K(o=-0.048,f=-1.3!) USER MOD Single : P 51 MET CE :methyl -167:sc= 0 (180deg=-0.0274) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA P 1 -13.071 32.203 9.984 1.00 1.00 N ATOM 2 CA ALA P 1 -13.972 33.368 10.219 1.00 1.00 C ATOM 3 C ALA P 1 -14.919 33.051 11.371 1.00 1.00 C ATOM 4 O ALA P 1 -15.714 33.894 11.787 1.00 1.00 O ATOM 5 CB ALA P 1 -14.771 33.656 8.947 1.00 1.00 C ATOM 0 H1 ALA P 1 -12.391 32.436 9.233 1.00 1.00 H new ATOM 0 H2 ALA P 1 -12.556 31.980 10.860 1.00 1.00 H new ATOM 0 H3 ALA P 1 -13.637 31.379 9.695 1.00 1.00 H new ATOM 0 HA ALA P 1 -13.380 34.247 10.475 1.00 1.00 H new ATOM 0 HB1 ALA P 1 -15.430 34.507 9.116 1.00 1.00 H new ATOM 0 HB2 ALA P 1 -14.086 33.885 8.131 1.00 1.00 H new ATOM 0 HB3 ALA P 1 -15.367 32.782 8.686 1.00 1.00 H new ATOM 13 N MET P 2 -14.826 31.823 11.883 1.00 1.00 N ATOM 14 CA MET P 2 -15.672 31.368 12.997 1.00 1.00 C ATOM 15 C MET P 2 -14.805 30.940 14.175 1.00 1.00 C ATOM 16 O MET P 2 -13.706 30.419 13.990 1.00 1.00 O ATOM 17 CB MET P 2 -16.525 30.185 12.542 1.00 1.00 C ATOM 18 CG MET P 2 -17.541 30.654 11.501 1.00 1.00 C ATOM 19 SD MET P 2 -18.459 29.224 10.876 1.00 1.00 S ATOM 20 CE MET P 2 -19.357 28.821 12.397 1.00 1.00 C ATOM 0 H MET P 2 -14.170 31.119 11.544 1.00 1.00 H new ATOM 0 HA MET P 2 -16.317 32.190 13.308 1.00 1.00 H new ATOM 0 HB2 MET P 2 -15.889 29.407 12.119 1.00 1.00 H new ATOM 0 HB3 MET P 2 -17.041 29.746 13.396 1.00 1.00 H new ATOM 0 HG2 MET P 2 -18.227 31.376 11.945 1.00 1.00 H new ATOM 0 HG3 MET P 2 -17.032 31.161 10.681 1.00 1.00 H new ATOM 0 HE1 MET P 2 -20.274 28.288 12.147 1.00 1.00 H new ATOM 0 HE2 MET P 2 -18.733 28.192 13.032 1.00 1.00 H new ATOM 0 HE3 MET P 2 -19.605 29.740 12.928 1.00 1.00 H new ATOM 30 N GLU P 3 -15.305 31.166 15.386 1.00 1.00 N ATOM 31 CA GLU P 3 -14.562 30.800 16.589 1.00 1.00 C ATOM 32 C GLU P 3 -14.405 29.286 16.689 1.00 1.00 C ATOM 33 O GLU P 3 -13.359 28.786 17.104 1.00 1.00 O ATOM 34 CB GLU P 3 -15.275 31.334 17.837 1.00 1.00 C ATOM 35 CG GLU P 3 -16.651 30.677 17.984 1.00 1.00 C ATOM 36 CD GLU P 3 -17.412 31.321 19.141 1.00 1.00 C ATOM 37 OE1 GLU P 3 -16.770 31.714 20.102 1.00 1.00 O ATOM 38 OE2 GLU P 3 -18.626 31.411 19.049 1.00 1.00 O ATOM 0 H GLU P 3 -16.213 31.597 15.561 1.00 1.00 H new ATOM 0 HA GLU P 3 -13.570 31.248 16.525 1.00 1.00 H new ATOM 0 HB2 GLU P 3 -14.672 31.133 18.723 1.00 1.00 H new ATOM 0 HB3 GLU P 3 -15.387 32.416 17.766 1.00 1.00 H new ATOM 0 HG2 GLU P 3 -17.217 30.787 17.059 1.00 1.00 H new ATOM 0 HG3 GLU P 3 -16.536 29.608 18.163 1.00 1.00 H new ATOM 45 N LYS P 4 -15.449 28.562 16.309 1.00 1.00 N ATOM 46 CA LYS P 4 -15.416 27.106 16.361 1.00 1.00 C ATOM 47 C LYS P 4 -14.353 26.561 15.413 1.00 1.00 C ATOM 48 O LYS P 4 -13.620 25.632 15.745 1.00 1.00 O ATOM 49 CB LYS P 4 -16.782 26.536 15.977 1.00 1.00 C ATOM 50 CG LYS P 4 -17.813 26.889 17.053 1.00 1.00 C ATOM 51 CD LYS P 4 -19.183 26.340 16.647 1.00 1.00 C ATOM 52 CE LYS P 4 -20.215 26.690 17.720 1.00 1.00 C ATOM 53 NZ LYS P 4 -21.549 26.164 17.316 1.00 1.00 N ATOM 0 H LYS P 4 -16.324 28.955 15.963 1.00 1.00 H new ATOM 0 HA LYS P 4 -15.171 26.804 17.379 1.00 1.00 H new ATOM 0 HB2 LYS P 4 -17.096 26.938 15.014 1.00 1.00 H new ATOM 0 HB3 LYS P 4 -16.716 25.454 15.865 1.00 1.00 H new ATOM 0 HG2 LYS P 4 -17.511 26.469 18.013 1.00 1.00 H new ATOM 0 HG3 LYS P 4 -17.866 27.970 17.180 1.00 1.00 H new ATOM 0 HD2 LYS P 4 -19.484 26.760 15.687 1.00 1.00 H new ATOM 0 HD3 LYS P 4 -19.129 25.259 16.519 1.00 1.00 H new ATOM 0 HE2 LYS P 4 -19.919 26.263 18.678 1.00 1.00 H new ATOM 0 HE3 LYS P 4 -20.264 27.771 17.854 1.00 1.00 H new ATOM 0 HZ1 LYS P 4 -22.251 26.402 18.045 1.00 1.00 H new ATOM 0 HZ2 LYS P 4 -21.831 26.592 16.411 1.00 1.00 H new ATOM 0 HZ3 LYS P 4 -21.497 25.131 17.209 1.00 1.00 H new ATOM 67 N VAL P 5 -14.284 27.153 14.233 1.00 1.00 N ATOM 68 CA VAL P 5 -13.315 26.731 13.228 1.00 1.00 C ATOM 69 C VAL P 5 -11.894 26.970 13.720 1.00 1.00 C ATOM 70 O VAL P 5 -11.022 26.112 13.578 1.00 1.00 O ATOM 71 CB VAL P 5 -13.554 27.489 11.919 1.00 1.00 C ATOM 72 CG1 VAL P 5 -12.453 27.147 10.910 1.00 1.00 C ATOM 73 CG2 VAL P 5 -14.914 27.082 11.344 1.00 1.00 C ATOM 0 H VAL P 5 -14.884 27.926 13.945 1.00 1.00 H new ATOM 0 HA VAL P 5 -13.443 25.663 13.049 1.00 1.00 H new ATOM 0 HB VAL P 5 -13.540 28.561 12.114 1.00 1.00 H new ATOM 0 HG11 VAL P 5 -12.629 27.690 9.981 1.00 1.00 H new ATOM 0 HG12 VAL P 5 -11.484 27.432 11.319 1.00 1.00 H new ATOM 0 HG13 VAL P 5 -12.462 26.075 10.711 1.00 1.00 H new ATOM 0 HG21 VAL P 5 -15.090 27.618 10.412 1.00 1.00 H new ATOM 0 HG22 VAL P 5 -14.922 26.009 11.152 1.00 1.00 H new ATOM 0 HG23 VAL P 5 -15.700 27.328 12.058 1.00 1.00 H new ATOM 83 N GLN P 6 -11.671 28.140 14.297 1.00 1.00 N ATOM 84 CA GLN P 6 -10.352 28.488 14.809 1.00 1.00 C ATOM 85 C GLN P 6 -9.945 27.561 15.949 1.00 1.00 C ATOM 86 O GLN P 6 -8.818 27.067 15.985 1.00 1.00 O ATOM 87 CB GLN P 6 -10.340 29.941 15.291 1.00 1.00 C ATOM 88 CG GLN P 6 -10.527 30.883 14.101 1.00 1.00 C ATOM 89 CD GLN P 6 -9.299 30.833 13.197 1.00 1.00 C ATOM 90 OE1 GLN P 6 -8.175 31.013 13.666 1.00 1.00 O ATOM 91 NE2 GLN P 6 -9.447 30.597 11.923 1.00 1.00 N ATOM 0 H GLN P 6 -12.380 28.862 14.423 1.00 1.00 H new ATOM 0 HA GLN P 6 -9.633 28.371 13.998 1.00 1.00 H new ATOM 0 HB2 GLN P 6 -11.135 30.099 16.020 1.00 1.00 H new ATOM 0 HB3 GLN P 6 -9.398 30.159 15.795 1.00 1.00 H new ATOM 0 HG2 GLN P 6 -11.415 30.598 13.537 1.00 1.00 H new ATOM 0 HG3 GLN P 6 -10.687 31.902 14.455 1.00 1.00 H new ATOM 0 HE21 GLN P 6 -10.379 30.448 11.537 1.00 1.00 H new ATOM 0 HE22 GLN P 6 -8.630 30.561 11.313 1.00 1.00 H new ATOM 100 N TYR P 7 -10.863 27.324 16.876 1.00 1.00 N ATOM 101 CA TYR P 7 -10.574 26.448 18.009 1.00 1.00 C ATOM 102 C TYR P 7 -10.229 25.048 17.512 1.00 1.00 C ATOM 103 O TYR P 7 -9.193 24.487 17.871 1.00 1.00 O ATOM 104 CB TYR P 7 -11.789 26.378 18.938 1.00 1.00 C ATOM 105 CG TYR P 7 -11.524 25.393 20.056 1.00 1.00 C ATOM 106 CD1 TYR P 7 -10.781 25.786 21.176 1.00 1.00 C ATOM 107 CD2 TYR P 7 -12.021 24.086 19.970 1.00 1.00 C ATOM 108 CE1 TYR P 7 -10.536 24.872 22.210 1.00 1.00 C ATOM 109 CE2 TYR P 7 -11.776 23.172 21.002 1.00 1.00 C ATOM 110 CZ TYR P 7 -11.033 23.565 22.123 1.00 1.00 C ATOM 111 OH TYR P 7 -10.790 22.666 23.141 1.00 1.00 O ATOM 0 H TYR P 7 -11.803 27.719 16.870 1.00 1.00 H new ATOM 0 HA TYR P 7 -9.724 26.852 18.558 1.00 1.00 H new ATOM 0 HB2 TYR P 7 -11.999 27.364 19.352 1.00 1.00 H new ATOM 0 HB3 TYR P 7 -12.672 26.074 18.375 1.00 1.00 H new ATOM 0 HD1 TYR P 7 -10.397 26.793 21.243 1.00 1.00 H new ATOM 0 HD2 TYR P 7 -12.594 23.783 19.106 1.00 1.00 H new ATOM 0 HE1 TYR P 7 -9.964 25.175 23.074 1.00 1.00 H new ATOM 0 HE2 TYR P 7 -12.160 22.165 20.934 1.00 1.00 H new ATOM 0 HH TYR P 7 -11.205 21.805 22.924 1.00 1.00 H new ATOM 121 N LEU P 8 -11.105 24.492 16.683 1.00 1.00 N ATOM 122 CA LEU P 8 -10.876 23.159 16.146 1.00 1.00 C ATOM 123 C LEU P 8 -9.487 23.097 15.515 1.00 1.00 C ATOM 124 O LEU P 8 -8.786 22.093 15.642 1.00 1.00 O ATOM 125 CB LEU P 8 -11.940 22.818 15.094 1.00 1.00 C ATOM 126 CG LEU P 8 -13.314 22.598 15.760 1.00 1.00 C ATOM 127 CD1 LEU P 8 -14.405 22.620 14.684 1.00 1.00 C ATOM 128 CD2 LEU P 8 -13.361 21.237 16.496 1.00 1.00 C ATOM 0 H LEU P 8 -11.968 24.937 16.372 1.00 1.00 H new ATOM 0 HA LEU P 8 -10.942 22.433 16.957 1.00 1.00 H new ATOM 0 HB2 LEU P 8 -12.009 23.625 14.364 1.00 1.00 H new ATOM 0 HB3 LEU P 8 -11.646 21.920 14.550 1.00 1.00 H new ATOM 0 HG LEU P 8 -13.478 23.394 16.486 1.00 1.00 H new ATOM 0 HD11 LEU P 8 -15.378 22.465 15.150 1.00 1.00 H new ATOM 0 HD12 LEU P 8 -14.395 23.584 14.176 1.00 1.00 H new ATOM 0 HD13 LEU P 8 -14.218 21.827 13.960 1.00 1.00 H new ATOM 0 HD21 LEU P 8 -14.340 21.106 16.957 1.00 1.00 H new ATOM 0 HD22 LEU P 8 -13.185 20.432 15.783 1.00 1.00 H new ATOM 0 HD23 LEU P 8 -12.591 21.214 17.267 1.00 1.00 H new ATOM 140 N THR P 9 -9.090 24.174 14.839 1.00 1.00 N ATOM 141 CA THR P 9 -7.779 24.221 14.201 1.00 1.00 C ATOM 142 C THR P 9 -6.676 24.093 15.253 1.00 1.00 C ATOM 143 O THR P 9 -5.733 23.309 15.103 1.00 1.00 O ATOM 144 CB THR P 9 -7.618 25.542 13.444 1.00 1.00 C ATOM 145 OG1 THR P 9 -8.764 25.754 12.632 1.00 1.00 O ATOM 146 CG2 THR P 9 -6.372 25.484 12.563 1.00 1.00 C ATOM 0 H THR P 9 -9.652 25.017 14.720 1.00 1.00 H new ATOM 0 HA THR P 9 -7.698 23.390 13.500 1.00 1.00 H new ATOM 0 HB THR P 9 -7.513 26.360 14.156 1.00 1.00 H new ATOM 0 HG1 THR P 9 -9.479 26.150 13.173 1.00 1.00 H new ATOM 0 HG21 THR P 9 -6.262 26.426 12.026 1.00 1.00 H new ATOM 0 HG22 THR P 9 -5.493 25.316 13.186 1.00 1.00 H new ATOM 0 HG23 THR P 9 -6.470 24.668 11.847 1.00 1.00 H new ATOM 154 N ARG P 10 -6.800 24.866 16.327 1.00 1.00 N ATOM 155 CA ARG P 10 -5.811 24.822 17.392 1.00 1.00 C ATOM 156 C ARG P 10 -5.750 23.415 17.961 1.00 1.00 C ATOM 157 O ARG P 10 -4.683 22.875 18.208 1.00 1.00 O ATOM 158 CB ARG P 10 -6.174 25.822 18.490 1.00 1.00 C ATOM 159 CG ARG P 10 -5.074 25.839 19.552 1.00 1.00 C ATOM 160 CD ARG P 10 -5.364 26.942 20.570 1.00 1.00 C ATOM 161 NE ARG P 10 -6.597 26.649 21.286 1.00 1.00 N ATOM 162 CZ ARG P 10 -7.145 27.545 22.098 1.00 1.00 C ATOM 163 NH1 ARG P 10 -6.577 28.708 22.266 1.00 1.00 N ATOM 164 NH2 ARG P 10 -8.252 27.258 22.725 1.00 1.00 N ATOM 0 H ARG P 10 -7.566 25.522 16.480 1.00 1.00 H new ATOM 0 HA ARG P 10 -4.834 25.091 16.991 1.00 1.00 H new ATOM 0 HB2 ARG P 10 -6.297 26.817 18.063 1.00 1.00 H new ATOM 0 HB3 ARG P 10 -7.127 25.550 18.943 1.00 1.00 H new ATOM 0 HG2 ARG P 10 -5.022 24.872 20.053 1.00 1.00 H new ATOM 0 HG3 ARG P 10 -4.104 26.008 19.084 1.00 1.00 H new ATOM 0 HD2 ARG P 10 -4.536 27.025 21.274 1.00 1.00 H new ATOM 0 HD3 ARG P 10 -5.448 27.903 20.063 1.00 1.00 H new ATOM 0 HE ARG P 10 -7.047 25.742 21.162 1.00 1.00 H new ATOM 0 HH11 ARG P 10 -5.712 28.929 21.773 1.00 1.00 H new ATOM 0 HH12 ARG P 10 -6.998 29.396 22.890 1.00 1.00 H new ATOM 0 HH21 ARG P 10 -8.693 26.348 22.591 1.00 1.00 H new ATOM 0 HH22 ARG P 10 -8.677 27.943 23.350 1.00 1.00 H new ATOM 178 N SER P 11 -6.908 22.822 18.162 1.00 1.00 N ATOM 179 CA SER P 11 -6.965 21.471 18.696 1.00 1.00 C ATOM 180 C SER P 11 -6.436 20.495 17.655 1.00 1.00 C ATOM 181 O SER P 11 -5.860 19.470 17.982 1.00 1.00 O ATOM 182 CB SER P 11 -8.397 21.096 19.048 1.00 1.00 C ATOM 183 OG SER P 11 -9.197 21.181 17.878 1.00 1.00 O ATOM 0 H SER P 11 -7.815 23.246 17.967 1.00 1.00 H new ATOM 0 HA SER P 11 -6.355 21.425 19.598 1.00 1.00 H new ATOM 0 HB2 SER P 11 -8.432 20.086 19.456 1.00 1.00 H new ATOM 0 HB3 SER P 11 -8.783 21.764 19.818 1.00 1.00 H new ATOM 0 HG SER P 11 -8.677 21.590 17.155 1.00 1.00 H new ATOM 189 N ALA P 12 -6.642 20.835 16.390 1.00 1.00 N ATOM 190 CA ALA P 12 -6.185 19.982 15.309 1.00 1.00 C ATOM 191 C ALA P 12 -4.718 19.675 15.506 1.00 1.00 C ATOM 192 O ALA P 12 -4.256 18.571 15.215 1.00 1.00 O ATOM 193 CB ALA P 12 -6.406 20.653 13.948 1.00 1.00 C ATOM 0 H ALA P 12 -7.118 21.687 16.092 1.00 1.00 H new ATOM 0 HA ALA P 12 -6.760 19.056 15.323 1.00 1.00 H new ATOM 0 HB1 ALA P 12 -6.055 19.992 13.155 1.00 1.00 H new ATOM 0 HB2 ALA P 12 -7.468 20.853 13.809 1.00 1.00 H new ATOM 0 HB3 ALA P 12 -5.852 21.591 13.911 1.00 1.00 H new ATOM 199 N ILE P 13 -3.983 20.666 16.008 1.00 1.00 N ATOM 200 CA ILE P 13 -2.545 20.485 16.246 1.00 1.00 C ATOM 201 C ILE P 13 -2.322 19.695 17.543 1.00 1.00 C ATOM 202 O ILE P 13 -1.403 18.883 17.633 1.00 1.00 O ATOM 203 CB ILE P 13 -1.787 21.859 16.250 1.00 1.00 C ATOM 204 CG1 ILE P 13 -0.386 21.695 15.619 1.00 1.00 C ATOM 205 CG2 ILE P 13 -1.607 22.423 17.679 1.00 1.00 C ATOM 206 CD1 ILE P 13 0.312 23.054 15.557 1.00 1.00 C ATOM 0 H ILE P 13 -4.347 21.586 16.255 1.00 1.00 H new ATOM 0 HA ILE P 13 -2.125 19.905 15.425 1.00 1.00 H new ATOM 0 HB ILE P 13 -2.396 22.554 15.672 1.00 1.00 H new ATOM 0 HG12 ILE P 13 0.209 20.996 16.207 1.00 1.00 H new ATOM 0 HG13 ILE P 13 -0.474 21.274 14.617 1.00 1.00 H new ATOM 0 HG21 ILE P 13 -1.077 23.374 17.631 1.00 1.00 H new ATOM 0 HG22 ILE P 13 -2.585 22.575 18.136 1.00 1.00 H new ATOM 0 HG23 ILE P 13 -1.032 21.718 18.279 1.00 1.00 H new ATOM 0 HD11 ILE P 13 1.300 22.936 15.112 1.00 1.00 H new ATOM 0 HD12 ILE P 13 -0.280 23.740 14.950 1.00 1.00 H new ATOM 0 HD13 ILE P 13 0.414 23.457 16.565 1.00 1.00 H new ATOM 218 N ARG P 14 -3.172 19.940 18.542 1.00 1.00 N ATOM 219 CA ARG P 14 -3.043 19.235 19.817 1.00 1.00 C ATOM 220 C ARG P 14 -3.337 17.761 19.604 1.00 1.00 C ATOM 221 O ARG P 14 -2.623 16.886 20.079 1.00 1.00 O ATOM 222 CB ARG P 14 -4.011 19.824 20.844 1.00 1.00 C ATOM 223 CG ARG P 14 -3.802 19.146 22.200 1.00 1.00 C ATOM 224 CD ARG P 14 -4.697 19.811 23.246 1.00 1.00 C ATOM 225 NE ARG P 14 -6.105 19.608 22.909 1.00 1.00 N ATOM 226 CZ ARG P 14 -6.748 18.502 23.266 1.00 1.00 C ATOM 227 NH1 ARG P 14 -6.120 17.570 23.927 1.00 1.00 N ATOM 228 NH2 ARG P 14 -8.004 18.351 22.954 1.00 1.00 N ATOM 0 H ARG P 14 -3.942 20.607 18.495 1.00 1.00 H new ATOM 0 HA ARG P 14 -2.027 19.350 20.195 1.00 1.00 H new ATOM 0 HB2 ARG P 14 -3.850 20.898 20.935 1.00 1.00 H new ATOM 0 HB3 ARG P 14 -5.039 19.683 20.511 1.00 1.00 H new ATOM 0 HG2 ARG P 14 -4.037 18.084 22.128 1.00 1.00 H new ATOM 0 HG3 ARG P 14 -2.757 19.222 22.499 1.00 1.00 H new ATOM 0 HD2 ARG P 14 -4.488 19.395 24.231 1.00 1.00 H new ATOM 0 HD3 ARG P 14 -4.478 20.878 23.297 1.00 1.00 H new ATOM 0 HE ARG P 14 -6.604 20.330 22.389 1.00 1.00 H new ATOM 0 HH11 ARG P 14 -5.137 17.691 24.169 1.00 1.00 H new ATOM 0 HH12 ARG P 14 -6.612 16.720 24.202 1.00 1.00 H new ATOM 0 HH21 ARG P 14 -8.492 19.082 22.436 1.00 1.00 H new ATOM 0 HH22 ARG P 14 -8.499 17.502 23.228 1.00 1.00 H new ATOM 242 N ARG P 15 -4.403 17.511 18.878 1.00 1.00 N ATOM 243 CA ARG P 15 -4.827 16.171 18.574 1.00 1.00 C ATOM 244 C ARG P 15 -3.662 15.417 17.958 1.00 1.00 C ATOM 245 O ARG P 15 -3.477 14.238 18.202 1.00 1.00 O ATOM 246 CB ARG P 15 -6.023 16.250 17.626 1.00 1.00 C ATOM 247 CG ARG P 15 -7.236 16.758 18.407 1.00 1.00 C ATOM 248 CD ARG P 15 -8.384 17.029 17.441 1.00 1.00 C ATOM 249 NE ARG P 15 -9.577 17.447 18.173 1.00 1.00 N ATOM 250 CZ ARG P 15 -10.451 16.558 18.644 1.00 1.00 C ATOM 251 NH1 ARG P 15 -10.261 15.280 18.448 1.00 1.00 N ATOM 252 NH2 ARG P 15 -11.500 16.967 19.300 1.00 1.00 N ATOM 0 H ARG P 15 -5.000 18.237 18.482 1.00 1.00 H new ATOM 0 HA ARG P 15 -5.135 15.635 19.471 1.00 1.00 H new ATOM 0 HB2 ARG P 15 -5.802 16.919 16.794 1.00 1.00 H new ATOM 0 HB3 ARG P 15 -6.232 15.269 17.199 1.00 1.00 H new ATOM 0 HG2 ARG P 15 -7.538 16.020 19.150 1.00 1.00 H new ATOM 0 HG3 ARG P 15 -6.979 17.669 18.948 1.00 1.00 H new ATOM 0 HD2 ARG P 15 -8.095 17.804 16.731 1.00 1.00 H new ATOM 0 HD3 ARG P 15 -8.601 16.131 16.862 1.00 1.00 H new ATOM 0 HE ARG P 15 -9.745 18.441 18.327 1.00 1.00 H new ATOM 0 HH11 ARG P 15 -9.441 14.959 17.933 1.00 1.00 H new ATOM 0 HH12 ARG P 15 -10.933 14.603 18.810 1.00 1.00 H new ATOM 0 HH21 ARG P 15 -11.650 17.964 19.451 1.00 1.00 H new ATOM 0 HH22 ARG P 15 -12.171 16.290 19.662 1.00 1.00 H new ATOM 266 N ALA P 16 -2.844 16.092 17.166 1.00 1.00 N ATOM 267 CA ALA P 16 -1.706 15.400 16.575 1.00 1.00 C ATOM 268 C ALA P 16 -0.906 14.784 17.714 1.00 1.00 C ATOM 269 O ALA P 16 -0.199 13.790 17.550 1.00 1.00 O ATOM 270 CB ALA P 16 -0.830 16.363 15.764 1.00 1.00 C ATOM 0 H ALA P 16 -2.937 17.078 16.923 1.00 1.00 H new ATOM 0 HA ALA P 16 -2.054 14.631 15.886 1.00 1.00 H new ATOM 0 HB1 ALA P 16 0.011 15.817 15.336 1.00 1.00 H new ATOM 0 HB2 ALA P 16 -1.421 16.806 14.963 1.00 1.00 H new ATOM 0 HB3 ALA P 16 -0.456 17.152 16.417 1.00 1.00 H new ATOM 276 N SER P 17 -1.058 15.415 18.875 1.00 1.00 N ATOM 277 CA SER P 17 -0.385 14.974 20.087 1.00 1.00 C ATOM 278 C SER P 17 -1.173 13.831 20.739 1.00 1.00 C ATOM 279 O SER P 17 -0.673 12.711 20.857 1.00 1.00 O ATOM 280 CB SER P 17 -0.231 16.149 21.068 1.00 1.00 C ATOM 281 OG SER P 17 0.947 15.953 21.844 1.00 1.00 O ATOM 0 H SER P 17 -1.646 16.239 18.999 1.00 1.00 H new ATOM 0 HA SER P 17 0.609 14.609 19.827 1.00 1.00 H new ATOM 0 HB2 SER P 17 -0.170 17.090 20.522 1.00 1.00 H new ATOM 0 HB3 SER P 17 -1.104 16.214 21.718 1.00 1.00 H new ATOM 0 HG SER P 17 1.054 16.699 22.471 1.00 1.00 H new ATOM 287 N THR P 18 -2.412 14.124 21.180 1.00 1.00 N ATOM 288 CA THR P 18 -3.265 13.115 21.842 1.00 1.00 C ATOM 289 C THR P 18 -4.633 12.918 21.171 1.00 1.00 C ATOM 290 O THR P 18 -5.632 12.711 21.860 1.00 1.00 O ATOM 291 CB THR P 18 -3.485 13.525 23.298 1.00 1.00 C ATOM 292 OG1 THR P 18 -4.424 12.642 23.898 1.00 1.00 O ATOM 293 CG2 THR P 18 -4.014 14.959 23.351 1.00 1.00 C ATOM 0 H THR P 18 -2.843 15.044 21.091 1.00 1.00 H new ATOM 0 HA THR P 18 -2.737 12.165 21.764 1.00 1.00 H new ATOM 0 HB THR P 18 -2.541 13.472 23.841 1.00 1.00 H new ATOM 0 HG1 THR P 18 -5.316 12.814 23.530 1.00 1.00 H new ATOM 0 HG21 THR P 18 -4.171 15.251 24.389 1.00 1.00 H new ATOM 0 HG22 THR P 18 -3.290 15.631 22.890 1.00 1.00 H new ATOM 0 HG23 THR P 18 -4.959 15.018 22.811 1.00 1.00 H new ATOM 301 N ILE P 19 -4.672 12.974 19.840 1.00 1.00 N ATOM 302 CA ILE P 19 -5.937 12.788 19.095 1.00 1.00 C ATOM 303 C ILE P 19 -6.779 11.689 19.757 1.00 1.00 C ATOM 304 O ILE P 19 -8.004 11.676 19.655 1.00 1.00 O ATOM 305 CB ILE P 19 -5.654 12.384 17.632 1.00 1.00 C ATOM 306 CG1 ILE P 19 -6.965 11.965 16.936 1.00 1.00 C ATOM 307 CG2 ILE P 19 -4.666 11.221 17.605 1.00 1.00 C ATOM 308 CD1 ILE P 19 -6.773 11.980 15.419 1.00 1.00 C ATOM 0 H ILE P 19 -3.856 13.144 19.252 1.00 1.00 H new ATOM 0 HA ILE P 19 -6.480 13.733 19.109 1.00 1.00 H new ATOM 0 HB ILE P 19 -5.228 13.237 17.103 1.00 1.00 H new ATOM 0 HG12 ILE P 19 -7.260 10.968 17.265 1.00 1.00 H new ATOM 0 HG13 ILE P 19 -7.770 12.644 17.217 1.00 1.00 H new ATOM 0 HG21 ILE P 19 -4.467 10.937 16.572 1.00 1.00 H new ATOM 0 HG22 ILE P 19 -3.735 11.524 18.084 1.00 1.00 H new ATOM 0 HG23 ILE P 19 -5.090 10.371 18.140 1.00 1.00 H new ATOM 0 HD11 ILE P 19 -7.702 11.683 14.932 1.00 1.00 H new ATOM 0 HD12 ILE P 19 -6.499 12.985 15.097 1.00 1.00 H new ATOM 0 HD13 ILE P 19 -5.981 11.283 15.146 1.00 1.00 H new ATOM 320 N GLU P 20 -6.085 10.775 20.431 1.00 1.00 N ATOM 321 CA GLU P 20 -6.719 9.653 21.125 1.00 1.00 C ATOM 322 C GLU P 20 -6.073 9.482 22.493 1.00 1.00 C ATOM 323 O GLU P 20 -5.096 8.753 22.639 1.00 1.00 O ATOM 324 CB GLU P 20 -6.535 8.372 20.291 1.00 1.00 C ATOM 325 CG GLU P 20 -7.261 7.186 20.937 1.00 1.00 C ATOM 326 CD GLU P 20 -8.771 7.378 20.826 1.00 1.00 C ATOM 327 OE1 GLU P 20 -9.183 8.310 20.155 1.00 1.00 O ATOM 328 OE2 GLU P 20 -9.496 6.590 21.410 1.00 1.00 O ATOM 0 H GLU P 20 -5.068 10.790 20.512 1.00 1.00 H new ATOM 0 HA GLU P 20 -7.784 9.847 21.253 1.00 1.00 H new ATOM 0 HB2 GLU P 20 -6.918 8.532 19.283 1.00 1.00 H new ATOM 0 HB3 GLU P 20 -5.473 8.145 20.196 1.00 1.00 H new ATOM 0 HG2 GLU P 20 -6.967 6.258 20.447 1.00 1.00 H new ATOM 0 HG3 GLU P 20 -6.973 7.099 21.985 1.00 1.00 H new ATOM 335 N MET P 21 -6.619 10.164 23.499 1.00 1.00 N ATOM 336 CA MET P 21 -6.066 10.067 24.848 1.00 1.00 C ATOM 337 C MET P 21 -5.776 8.602 25.200 1.00 1.00 C ATOM 338 O MET P 21 -4.660 8.290 25.607 1.00 1.00 O ATOM 339 CB MET P 21 -6.994 10.730 25.917 1.00 1.00 C ATOM 340 CG MET P 21 -8.138 11.496 25.241 1.00 1.00 C ATOM 341 SD MET P 21 -9.213 12.203 26.517 1.00 1.00 S ATOM 342 CE MET P 21 -10.768 12.092 25.599 1.00 1.00 C ATOM 0 H MET P 21 -7.428 10.778 23.409 1.00 1.00 H new ATOM 0 HA MET P 21 -5.128 10.623 24.860 1.00 1.00 H new ATOM 0 HB2 MET P 21 -7.402 9.964 26.577 1.00 1.00 H new ATOM 0 HB3 MET P 21 -6.412 11.410 26.539 1.00 1.00 H new ATOM 0 HG2 MET P 21 -7.738 12.286 24.606 1.00 1.00 H new ATOM 0 HG3 MET P 21 -8.709 10.828 24.596 1.00 1.00 H new ATOM 0 HE1 MET P 21 -11.581 12.482 26.212 1.00 1.00 H new ATOM 0 HE2 MET P 21 -10.692 12.677 24.682 1.00 1.00 H new ATOM 0 HE3 MET P 21 -10.970 11.050 25.349 1.00 1.00 H new ATOM 352 N PRO P 22 -6.735 7.703 25.056 1.00 1.00 N ATOM 353 CA PRO P 22 -6.507 6.264 25.378 1.00 1.00 C ATOM 354 C PRO P 22 -5.111 5.814 24.951 1.00 1.00 C ATOM 355 O PRO P 22 -4.731 5.927 23.792 1.00 1.00 O ATOM 356 CB PRO P 22 -7.598 5.561 24.582 1.00 1.00 C ATOM 357 CG PRO P 22 -8.747 6.515 24.605 1.00 1.00 C ATOM 358 CD PRO P 22 -8.127 7.926 24.583 1.00 1.00 C ATOM 0 HA PRO P 22 -6.554 6.046 26.445 1.00 1.00 H new ATOM 0 HB2 PRO P 22 -7.274 5.353 23.562 1.00 1.00 H new ATOM 0 HB3 PRO P 22 -7.866 4.605 25.033 1.00 1.00 H new ATOM 0 HG2 PRO P 22 -9.399 6.362 23.745 1.00 1.00 H new ATOM 0 HG3 PRO P 22 -9.357 6.370 25.497 1.00 1.00 H new ATOM 0 HD2 PRO P 22 -8.146 8.357 23.582 1.00 1.00 H new ATOM 0 HD3 PRO P 22 -8.667 8.612 25.236 1.00 1.00 H new ATOM 366 N GLN P 23 -4.369 5.315 25.910 1.00 1.00 N ATOM 367 CA GLN P 23 -3.005 4.849 25.663 1.00 1.00 C ATOM 368 C GLN P 23 -2.988 3.547 24.865 1.00 1.00 C ATOM 369 O GLN P 23 -1.962 3.168 24.300 1.00 1.00 O ATOM 370 CB GLN P 23 -2.277 4.645 26.995 1.00 1.00 C ATOM 371 CG GLN P 23 -2.093 5.997 27.685 1.00 1.00 C ATOM 372 CD GLN P 23 -1.376 5.808 29.016 1.00 1.00 C ATOM 373 OE1 GLN P 23 -0.957 4.698 29.342 1.00 1.00 O ATOM 374 NE2 GLN P 23 -1.208 6.830 29.808 1.00 1.00 N ATOM 0 H GLN P 23 -4.679 5.216 26.877 1.00 1.00 H new ATOM 0 HA GLN P 23 -2.495 5.611 25.074 1.00 1.00 H new ATOM 0 HB2 GLN P 23 -2.848 3.972 27.635 1.00 1.00 H new ATOM 0 HB3 GLN P 23 -1.308 4.176 26.824 1.00 1.00 H new ATOM 0 HG2 GLN P 23 -1.519 6.666 27.045 1.00 1.00 H new ATOM 0 HG3 GLN P 23 -3.063 6.467 27.848 1.00 1.00 H new ATOM 0 HE21 GLN P 23 -1.556 7.749 29.535 1.00 1.00 H new ATOM 0 HE22 GLN P 23 -0.728 6.710 30.700 1.00 1.00 H new ATOM 383 N GLN P 24 -4.128 2.862 24.820 1.00 1.00 N ATOM 384 CA GLN P 24 -4.239 1.597 24.088 1.00 1.00 C ATOM 385 C GLN P 24 -4.905 1.824 22.739 1.00 1.00 C ATOM 386 O GLN P 24 -4.443 1.326 21.713 1.00 1.00 O ATOM 387 CB GLN P 24 -5.070 0.612 24.911 1.00 1.00 C ATOM 388 CG GLN P 24 -4.310 0.251 26.186 1.00 1.00 C ATOM 389 CD GLN P 24 -5.151 -0.685 27.046 1.00 1.00 C ATOM 390 OE1 GLN P 24 -6.257 -0.331 27.453 1.00 1.00 O ATOM 391 NE2 GLN P 24 -4.689 -1.866 27.350 1.00 1.00 N ATOM 0 H GLN P 24 -4.989 3.159 25.280 1.00 1.00 H new ATOM 0 HA GLN P 24 -3.241 1.191 23.922 1.00 1.00 H new ATOM 0 HB2 GLN P 24 -6.035 1.053 25.162 1.00 1.00 H new ATOM 0 HB3 GLN P 24 -5.272 -0.286 24.328 1.00 1.00 H new ATOM 0 HG2 GLN P 24 -3.364 -0.227 25.932 1.00 1.00 H new ATOM 0 HG3 GLN P 24 -4.071 1.156 26.745 1.00 1.00 H new ATOM 0 HE21 GLN P 24 -3.772 -2.158 27.012 1.00 1.00 H new ATOM 0 HE22 GLN P 24 -5.245 -2.498 27.926 1.00 1.00 H new ATOM 400 N ALA P 25 -5.999 2.577 22.755 1.00 1.00 N ATOM 401 CA ALA P 25 -6.728 2.860 21.519 1.00 1.00 C ATOM 402 C ALA P 25 -5.880 3.712 20.572 1.00 1.00 C ATOM 403 O ALA P 25 -6.022 3.637 19.356 1.00 1.00 O ATOM 404 CB ALA P 25 -8.094 3.526 21.835 1.00 1.00 C ATOM 0 H ALA P 25 -6.398 2.998 23.594 1.00 1.00 H new ATOM 0 HA ALA P 25 -6.933 1.919 21.009 1.00 1.00 H new ATOM 0 HB1 ALA P 25 -8.623 3.730 20.904 1.00 1.00 H new ATOM 0 HB2 ALA P 25 -8.691 2.856 22.453 1.00 1.00 H new ATOM 0 HB3 ALA P 25 -7.928 4.461 22.370 1.00 1.00 H new ATOM 410 N ARG P 26 -5.000 4.524 21.119 1.00 1.00 N ATOM 411 CA ARG P 26 -4.173 5.351 20.289 1.00 1.00 C ATOM 412 C ARG P 26 -3.266 4.506 19.403 1.00 1.00 C ATOM 413 O ARG P 26 -3.167 4.749 18.202 1.00 1.00 O ATOM 414 CB ARG P 26 -3.336 6.271 21.174 1.00 1.00 C ATOM 415 CG ARG P 26 -2.510 7.186 20.297 1.00 1.00 C ATOM 416 CD ARG P 26 -1.783 8.212 21.163 1.00 1.00 C ATOM 417 NE ARG P 26 -0.925 9.052 20.333 1.00 1.00 N ATOM 418 CZ ARG P 26 -0.167 10.004 20.868 1.00 1.00 C ATOM 419 NH1 ARG P 26 -0.184 10.210 22.156 1.00 1.00 N ATOM 420 NH2 ARG P 26 0.593 10.736 20.101 1.00 1.00 N ATOM 0 H ARG P 26 -4.845 4.624 22.122 1.00 1.00 H new ATOM 0 HA ARG P 26 -4.813 5.947 19.638 1.00 1.00 H new ATOM 0 HB2 ARG P 26 -3.984 6.858 21.825 1.00 1.00 H new ATOM 0 HB3 ARG P 26 -2.685 5.681 21.820 1.00 1.00 H new ATOM 0 HG2 ARG P 26 -1.789 6.603 19.724 1.00 1.00 H new ATOM 0 HG3 ARG P 26 -3.153 7.693 19.577 1.00 1.00 H new ATOM 0 HD2 ARG P 26 -2.507 8.830 21.693 1.00 1.00 H new ATOM 0 HD3 ARG P 26 -1.185 7.703 21.919 1.00 1.00 H new ATOM 0 HE ARG P 26 -0.907 8.906 19.324 1.00 1.00 H new ATOM 0 HH11 ARG P 26 -0.780 9.640 22.756 1.00 1.00 H new ATOM 0 HH12 ARG P 26 0.399 10.941 22.563 1.00 1.00 H new ATOM 0 HH21 ARG P 26 0.605 10.577 19.094 1.00 1.00 H new ATOM 0 HH22 ARG P 26 1.176 11.467 20.509 1.00 1.00 H new ATOM 434 N GLN P 27 -2.602 3.511 19.988 1.00 1.00 N ATOM 435 CA GLN P 27 -1.702 2.646 19.221 1.00 1.00 C ATOM 436 C GLN P 27 -2.393 1.407 18.663 1.00 1.00 C ATOM 437 O GLN P 27 -2.037 0.942 17.589 1.00 1.00 O ATOM 438 CB GLN P 27 -0.537 2.214 20.110 1.00 1.00 C ATOM 439 CG GLN P 27 0.343 3.428 20.420 1.00 1.00 C ATOM 440 CD GLN P 27 1.473 3.027 21.358 1.00 1.00 C ATOM 441 OE1 GLN P 27 1.630 1.848 21.672 1.00 1.00 O ATOM 442 NE2 GLN P 27 2.275 3.945 21.828 1.00 1.00 N ATOM 0 H GLN P 27 -2.667 3.283 20.980 1.00 1.00 H new ATOM 0 HA GLN P 27 -1.351 3.228 18.369 1.00 1.00 H new ATOM 0 HB2 GLN P 27 -0.913 1.778 21.035 1.00 1.00 H new ATOM 0 HB3 GLN P 27 0.050 1.443 19.610 1.00 1.00 H new ATOM 0 HG2 GLN P 27 0.754 3.835 19.496 1.00 1.00 H new ATOM 0 HG3 GLN P 27 -0.257 4.215 20.876 1.00 1.00 H new ATOM 0 HE21 GLN P 27 2.142 4.922 21.565 1.00 1.00 H new ATOM 0 HE22 GLN P 27 3.034 3.685 22.457 1.00 1.00 H new ATOM 451 N ASN P 28 -3.374 0.865 19.370 1.00 1.00 N ATOM 452 CA ASN P 28 -4.055 -0.326 18.864 1.00 2.16 C ATOM 453 C ASN P 28 -4.767 -0.032 17.550 1.00 1.00 C ATOM 454 O ASN P 28 -4.632 -0.774 16.571 1.00 1.00 O ATOM 455 CB ASN P 28 -5.066 -0.837 19.891 1.00 1.00 C ATOM 456 CG ASN P 28 -4.338 -1.452 21.081 1.00 1.00 C ATOM 457 OD1 ASN P 28 -4.747 -1.259 22.226 1.00 1.00 O ATOM 458 ND2 ASN P 28 -3.277 -2.188 20.878 1.00 1.00 N ATOM 0 H ASN P 28 -3.711 1.214 20.267 1.00 1.00 H new ATOM 0 HA ASN P 28 -3.300 -1.092 18.688 1.00 2.16 H new ATOM 0 HB2 ASN P 28 -5.701 -0.017 20.227 1.00 1.00 H new ATOM 0 HB3 ASN P 28 -5.720 -1.579 19.432 1.00 1.00 H new ATOM 0 HD21 ASN P 28 -2.786 -2.604 21.669 1.00 1.00 H new ATOM 0 HD22 ASN P 28 -2.940 -2.346 19.928 1.00 1.00 H new ATOM 465 N LEU P 29 -5.520 1.051 17.538 1.00 1.00 N ATOM 466 CA LEU P 29 -6.255 1.446 16.348 1.00 2.84 C ATOM 467 C LEU P 29 -5.299 1.925 15.296 1.00 1.00 C ATOM 468 O LEU P 29 -5.442 1.599 14.118 1.00 1.00 O ATOM 469 CB LEU P 29 -7.240 2.566 16.667 1.00 1.00 C ATOM 470 CG LEU P 29 -8.074 2.172 17.878 1.00 1.00 C ATOM 471 CD1 LEU P 29 -8.957 3.354 18.293 1.00 1.00 C ATOM 472 CD2 LEU P 29 -8.959 0.955 17.544 1.00 1.00 C ATOM 0 H LEU P 29 -5.640 1.674 18.337 1.00 1.00 H new ATOM 0 HA LEU P 29 -6.807 0.579 15.986 1.00 2.84 H new ATOM 0 HB2 LEU P 29 -6.702 3.493 16.867 1.00 1.00 H new ATOM 0 HB3 LEU P 29 -7.887 2.752 15.810 1.00 1.00 H new ATOM 0 HG LEU P 29 -7.407 1.906 18.698 1.00 1.00 H new ATOM 0 HD11 LEU P 29 -9.555 3.074 19.160 1.00 1.00 H new ATOM 0 HD12 LEU P 29 -8.328 4.207 18.546 1.00 1.00 H new ATOM 0 HD13 LEU P 29 -9.617 3.622 17.468 1.00 1.00 H new ATOM 0 HD21 LEU P 29 -9.550 0.684 18.419 1.00 1.00 H new ATOM 0 HD22 LEU P 29 -9.626 1.206 16.719 1.00 1.00 H new ATOM 0 HD23 LEU P 29 -8.328 0.114 17.258 1.00 1.00 H new ATOM 484 N GLN P 30 -4.311 2.706 15.719 1.00 1.00 N ATOM 485 CA GLN P 30 -3.333 3.219 14.764 1.00 3.54 C ATOM 486 C GLN P 30 -2.383 2.124 14.290 1.00 1.00 C ATOM 487 O GLN P 30 -1.881 2.184 13.174 1.00 1.00 O ATOM 488 CB GLN P 30 -2.525 4.363 15.367 1.00 1.00 C ATOM 489 CG GLN P 30 -3.451 5.546 15.650 1.00 1.00 C ATOM 490 CD GLN P 30 -3.910 6.167 14.339 1.00 1.00 C ATOM 491 OE1 GLN P 30 -3.092 6.452 13.464 1.00 1.00 O ATOM 492 NE2 GLN P 30 -5.179 6.396 14.149 1.00 1.00 N ATOM 0 H GLN P 30 -4.166 2.992 16.687 1.00 1.00 H new ATOM 0 HA GLN P 30 -3.894 3.590 13.906 1.00 3.54 H new ATOM 0 HB2 GLN P 30 -2.043 4.036 16.288 1.00 1.00 H new ATOM 0 HB3 GLN P 30 -1.732 4.663 14.682 1.00 1.00 H new ATOM 0 HG2 GLN P 30 -4.314 5.214 16.227 1.00 1.00 H new ATOM 0 HG3 GLN P 30 -2.931 6.290 16.253 1.00 1.00 H new ATOM 0 HE21 GLN P 30 -5.854 6.159 14.876 1.00 1.00 H new ATOM 0 HE22 GLN P 30 -5.497 6.812 13.274 1.00 1.00 H new ATOM 501 N ASN P 31 -2.134 1.125 15.130 1.00 1.00 N ATOM 502 CA ASN P 31 -1.232 0.042 14.736 1.00 2.62 C ATOM 503 C ASN P 31 -1.816 -0.724 13.564 1.00 1.00 C ATOM 504 O ASN P 31 -1.110 -1.064 12.618 1.00 1.00 O ATOM 505 CB ASN P 31 -0.970 -0.922 15.905 1.00 1.00 C ATOM 506 CG ASN P 31 -0.173 -2.137 15.430 1.00 1.00 C ATOM 507 OD1 ASN P 31 0.865 -1.984 14.785 1.00 1.00 O ATOM 508 ND2 ASN P 31 -0.600 -3.339 15.712 1.00 1.00 N ATOM 0 H ASN P 31 -2.531 1.040 16.066 1.00 1.00 H new ATOM 0 HA ASN P 31 -0.283 0.490 14.442 1.00 2.62 H new ATOM 0 HB2 ASN P 31 -0.422 -0.406 16.693 1.00 1.00 H new ATOM 0 HB3 ASN P 31 -1.917 -1.247 16.335 1.00 1.00 H new ATOM 0 HD21 ASN P 31 -0.073 -4.154 15.398 1.00 1.00 H new ATOM 0 HD22 ASN P 31 -1.460 -3.462 16.246 1.00 1.00 H new ATOM 515 N LEU P 32 -3.106 -0.993 13.631 1.00 1.00 N ATOM 516 CA LEU P 32 -3.765 -1.719 12.565 1.00 2.27 C ATOM 517 C LEU P 32 -3.742 -0.892 11.294 1.00 1.00 C ATOM 518 O LEU P 32 -3.412 -1.391 10.229 1.00 1.00 O ATOM 519 CB LEU P 32 -5.213 -2.034 12.947 1.00 1.00 C ATOM 520 CG LEU P 32 -5.254 -3.040 14.108 1.00 1.00 C ATOM 521 CD1 LEU P 32 -6.686 -3.121 14.642 1.00 1.00 C ATOM 522 CD2 LEU P 32 -4.793 -4.443 13.638 1.00 1.00 C ATOM 0 H LEU P 32 -3.713 -0.722 14.405 1.00 1.00 H new ATOM 0 HA LEU P 32 -3.234 -2.657 12.400 1.00 2.27 H new ATOM 0 HB2 LEU P 32 -5.728 -1.117 13.234 1.00 1.00 H new ATOM 0 HB3 LEU P 32 -5.743 -2.441 12.086 1.00 1.00 H new ATOM 0 HG LEU P 32 -4.577 -2.704 14.894 1.00 1.00 H new ATOM 0 HD11 LEU P 32 -6.727 -3.832 15.467 1.00 1.00 H new ATOM 0 HD12 LEU P 32 -6.999 -2.138 14.995 1.00 1.00 H new ATOM 0 HD13 LEU P 32 -7.353 -3.450 13.845 1.00 1.00 H new ATOM 0 HD21 LEU P 32 -4.830 -5.138 14.477 1.00 1.00 H new ATOM 0 HD22 LEU P 32 -5.452 -4.796 12.845 1.00 1.00 H new ATOM 0 HD23 LEU P 32 -3.772 -4.383 13.262 1.00 1.00 H new ATOM 534 N PHE P 33 -4.091 0.378 11.419 1.00 1.00 N ATOM 535 CA PHE P 33 -4.102 1.263 10.265 1.00 2.64 C ATOM 536 C PHE P 33 -2.688 1.445 9.729 1.00 1.00 C ATOM 537 O PHE P 33 -2.438 1.273 8.540 1.00 1.00 O ATOM 538 CB PHE P 33 -4.683 2.623 10.650 1.00 1.00 C ATOM 539 CG PHE P 33 -4.642 3.551 9.454 1.00 1.00 C ATOM 540 CD1 PHE P 33 -5.588 3.422 8.428 1.00 1.00 C ATOM 541 CD2 PHE P 33 -3.655 4.542 9.373 1.00 1.00 C ATOM 542 CE1 PHE P 33 -5.547 4.285 7.324 1.00 1.00 C ATOM 543 CE2 PHE P 33 -3.614 5.402 8.270 1.00 1.00 C ATOM 544 CZ PHE P 33 -4.559 5.274 7.246 1.00 1.00 C ATOM 0 H PHE P 33 -4.368 0.816 12.298 1.00 1.00 H new ATOM 0 HA PHE P 33 -4.723 0.815 9.490 1.00 2.64 H new ATOM 0 HB2 PHE P 33 -5.710 2.506 10.997 1.00 1.00 H new ATOM 0 HB3 PHE P 33 -4.115 3.052 11.475 1.00 1.00 H new ATOM 0 HD1 PHE P 33 -6.349 2.658 8.488 1.00 1.00 H new ATOM 0 HD2 PHE P 33 -2.925 4.642 10.163 1.00 1.00 H new ATOM 0 HE1 PHE P 33 -6.277 4.187 6.534 1.00 1.00 H new ATOM 0 HE2 PHE P 33 -2.852 6.165 8.209 1.00 1.00 H new ATOM 0 HZ PHE P 33 -4.526 5.938 6.395 1.00 1.00 H new ATOM 554 N ILE P 34 -1.771 1.794 10.625 1.00 1.00 N ATOM 555 CA ILE P 34 -0.381 2.002 10.238 1.00 2.60 C ATOM 556 C ILE P 34 0.230 0.707 9.704 1.00 1.00 C ATOM 557 O ILE P 34 0.878 0.709 8.661 1.00 1.00 O ATOM 558 CB ILE P 34 0.428 2.515 11.442 1.00 1.00 C ATOM 559 CG1 ILE P 34 -0.033 3.934 11.798 1.00 1.00 C ATOM 560 CG2 ILE P 34 1.923 2.544 11.102 1.00 1.00 C ATOM 561 CD1 ILE P 34 0.538 4.331 13.160 1.00 1.00 C ATOM 0 H ILE P 34 -1.963 1.938 11.616 1.00 1.00 H new ATOM 0 HA ILE P 34 -0.349 2.748 9.444 1.00 2.60 H new ATOM 0 HB ILE P 34 0.265 1.846 12.287 1.00 1.00 H new ATOM 0 HG12 ILE P 34 0.298 4.637 11.034 1.00 1.00 H new ATOM 0 HG13 ILE P 34 -1.122 3.979 11.822 1.00 1.00 H new ATOM 0 HG21 ILE P 34 2.485 2.909 11.962 1.00 1.00 H new ATOM 0 HG22 ILE P 34 2.258 1.538 10.850 1.00 1.00 H new ATOM 0 HG23 ILE P 34 2.090 3.206 10.252 1.00 1.00 H new ATOM 0 HD11 ILE P 34 0.210 5.339 13.412 1.00 1.00 H new ATOM 0 HD12 ILE P 34 0.185 3.634 13.920 1.00 1.00 H new ATOM 0 HD13 ILE P 34 1.627 4.303 13.120 1.00 1.00 H new ATOM 573 N ASN P 35 0.022 -0.397 10.417 1.00 1.00 N ATOM 574 CA ASN P 35 0.565 -1.670 9.984 1.00 2.85 C ATOM 575 C ASN P 35 -0.126 -2.129 8.717 1.00 1.00 C ATOM 576 O ASN P 35 0.524 -2.528 7.750 1.00 1.00 O ATOM 577 CB ASN P 35 0.399 -2.720 11.082 1.00 1.00 C ATOM 578 CG ASN P 35 1.166 -3.980 10.703 1.00 1.00 C ATOM 579 OD1 ASN P 35 2.234 -3.897 10.096 1.00 1.00 O ATOM 580 ND2 ASN P 35 0.684 -5.147 11.026 1.00 1.00 N ATOM 0 H ASN P 35 -0.512 -0.431 11.285 1.00 1.00 H new ATOM 0 HA ASN P 35 1.628 -1.543 9.780 1.00 2.85 H new ATOM 0 HB2 ASN P 35 0.767 -2.330 12.031 1.00 1.00 H new ATOM 0 HB3 ASN P 35 -0.657 -2.952 11.220 1.00 1.00 H new ATOM 0 HD21 ASN P 35 1.192 -5.996 10.776 1.00 1.00 H new ATOM 0 HD22 ASN P 35 -0.201 -5.212 11.529 1.00 1.00 H new ATOM 587 N PHE P 36 -1.449 -2.078 8.726 1.00 1.00 N ATOM 588 CA PHE P 36 -2.213 -2.506 7.560 1.00 2.91 C ATOM 589 C PHE P 36 -2.030 -1.571 6.373 1.00 1.00 C ATOM 590 O PHE P 36 -2.057 -2.011 5.219 1.00 1.00 O ATOM 591 CB PHE P 36 -3.705 -2.620 7.889 1.00 1.00 C ATOM 592 CG PHE P 36 -4.426 -3.322 6.757 1.00 1.00 C ATOM 593 CD1 PHE P 36 -4.169 -4.675 6.502 1.00 1.00 C ATOM 594 CD2 PHE P 36 -5.352 -2.626 5.965 1.00 1.00 C ATOM 595 CE1 PHE P 36 -4.834 -5.330 5.458 1.00 1.00 C ATOM 596 CE2 PHE P 36 -6.014 -3.282 4.923 1.00 1.00 C ATOM 597 CZ PHE P 36 -5.757 -4.633 4.669 1.00 1.00 C ATOM 0 H PHE P 36 -2.010 -1.751 9.512 1.00 1.00 H new ATOM 0 HA PHE P 36 -1.825 -3.487 7.284 1.00 2.91 H new ATOM 0 HB2 PHE P 36 -3.841 -3.174 8.818 1.00 1.00 H new ATOM 0 HB3 PHE P 36 -4.130 -1.628 8.044 1.00 1.00 H new ATOM 0 HD1 PHE P 36 -3.458 -5.213 7.111 1.00 1.00 H new ATOM 0 HD2 PHE P 36 -5.553 -1.583 6.161 1.00 1.00 H new ATOM 0 HE1 PHE P 36 -4.635 -6.373 5.261 1.00 1.00 H new ATOM 0 HE2 PHE P 36 -6.725 -2.745 4.313 1.00 1.00 H new ATOM 0 HZ PHE P 36 -6.270 -5.139 3.864 1.00 1.00 H new ATOM 607 N ALA P 37 -1.839 -0.288 6.638 1.00 1.00 N ATOM 608 CA ALA P 37 -1.650 0.673 5.561 1.00 1.76 C ATOM 609 C ALA P 37 -0.250 0.555 4.984 1.00 1.00 C ATOM 610 O ALA P 37 -0.045 0.726 3.796 1.00 1.00 O ATOM 611 CB ALA P 37 -1.870 2.099 6.063 1.00 1.00 C ATOM 0 H ALA P 37 -1.811 0.109 7.577 1.00 1.00 H new ATOM 0 HA ALA P 37 -2.381 0.452 4.784 1.00 1.76 H new ATOM 0 HB1 ALA P 37 -1.724 2.801 5.242 1.00 1.00 H new ATOM 0 HB2 ALA P 37 -2.885 2.197 6.447 1.00 1.00 H new ATOM 0 HB3 ALA P 37 -1.158 2.318 6.859 1.00 1.00 H new ATOM 617 N LEU P 38 0.713 0.260 5.840 1.00 1.00 N ATOM 618 CA LEU P 38 2.090 0.126 5.389 1.00 1.91 C ATOM 619 C LEU P 38 2.228 -1.048 4.423 1.00 1.00 C ATOM 620 O LEU P 38 2.979 -0.971 3.452 1.00 1.00 O ATOM 621 CB LEU P 38 3.044 -0.051 6.587 1.00 1.00 C ATOM 622 CG LEU P 38 3.344 1.309 7.258 1.00 1.00 C ATOM 623 CD1 LEU P 38 3.907 1.065 8.664 1.00 1.00 C ATOM 624 CD2 LEU P 38 4.383 2.113 6.438 1.00 1.00 C ATOM 0 H LEU P 38 0.572 0.110 6.839 1.00 1.00 H new ATOM 0 HA LEU P 38 2.364 1.041 4.864 1.00 1.91 H new ATOM 0 HB2 LEU P 38 2.599 -0.730 7.314 1.00 1.00 H new ATOM 0 HB3 LEU P 38 3.975 -0.509 6.252 1.00 1.00 H new ATOM 0 HG LEU P 38 2.417 1.880 7.310 1.00 1.00 H new ATOM 0 HD11 LEU P 38 4.120 2.021 9.142 1.00 1.00 H new ATOM 0 HD12 LEU P 38 3.176 0.517 9.259 1.00 1.00 H new ATOM 0 HD13 LEU P 38 4.826 0.483 8.592 1.00 1.00 H new ATOM 0 HD21 LEU P 38 4.577 3.066 6.931 1.00 1.00 H new ATOM 0 HD22 LEU P 38 5.311 1.545 6.369 1.00 1.00 H new ATOM 0 HD23 LEU P 38 3.994 2.295 5.436 1.00 1.00 H new ATOM 636 N ILE P 39 1.497 -2.124 4.679 1.00 1.00 N ATOM 637 CA ILE P 39 1.565 -3.280 3.795 1.00 3.37 C ATOM 638 C ILE P 39 0.991 -2.899 2.431 1.00 1.00 C ATOM 639 O ILE P 39 1.556 -3.232 1.390 1.00 1.00 O ATOM 640 CB ILE P 39 0.773 -4.458 4.386 1.00 1.00 C ATOM 641 CG1 ILE P 39 1.461 -4.981 5.669 1.00 1.00 C ATOM 642 CG2 ILE P 39 0.646 -5.591 3.359 1.00 1.00 C ATOM 643 CD1 ILE P 39 2.902 -5.454 5.401 1.00 1.00 C ATOM 0 H ILE P 39 0.864 -2.222 5.473 1.00 1.00 H new ATOM 0 HA ILE P 39 2.605 -3.587 3.686 1.00 3.37 H new ATOM 0 HB ILE P 39 -0.226 -4.105 4.641 1.00 1.00 H new ATOM 0 HG12 ILE P 39 1.473 -4.192 6.421 1.00 1.00 H new ATOM 0 HG13 ILE P 39 0.880 -5.806 6.081 1.00 1.00 H new ATOM 0 HG21 ILE P 39 0.083 -6.416 3.795 1.00 1.00 H new ATOM 0 HG22 ILE P 39 0.126 -5.224 2.474 1.00 1.00 H new ATOM 0 HG23 ILE P 39 1.640 -5.939 3.077 1.00 1.00 H new ATOM 0 HD11 ILE P 39 3.346 -5.813 6.330 1.00 1.00 H new ATOM 0 HD12 ILE P 39 2.890 -6.262 4.669 1.00 1.00 H new ATOM 0 HD13 ILE P 39 3.492 -4.623 5.014 1.00 1.00 H new ATOM 655 N LEU P 40 -0.141 -2.198 2.454 1.00 1.00 N ATOM 656 CA LEU P 40 -0.789 -1.776 1.214 1.00 2.95 C ATOM 657 C LEU P 40 -0.013 -0.644 0.532 1.00 1.00 C ATOM 658 O LEU P 40 0.251 -0.697 -0.668 1.00 1.00 O ATOM 659 CB LEU P 40 -2.218 -1.310 1.498 1.00 1.00 C ATOM 660 CG LEU P 40 -3.086 -2.487 1.968 1.00 1.00 C ATOM 661 CD1 LEU P 40 -4.438 -1.945 2.446 1.00 1.00 C ATOM 662 CD2 LEU P 40 -3.308 -3.503 0.817 1.00 1.00 C ATOM 0 H LEU P 40 -0.624 -1.913 3.306 1.00 1.00 H new ATOM 0 HA LEU P 40 -0.807 -2.635 0.543 1.00 2.95 H new ATOM 0 HB2 LEU P 40 -2.208 -0.531 2.261 1.00 1.00 H new ATOM 0 HB3 LEU P 40 -2.648 -0.870 0.599 1.00 1.00 H new ATOM 0 HG LEU P 40 -2.577 -3.002 2.783 1.00 1.00 H new ATOM 0 HD11 LEU P 40 -5.063 -2.772 2.782 1.00 1.00 H new ATOM 0 HD12 LEU P 40 -4.280 -1.250 3.271 1.00 1.00 H new ATOM 0 HD13 LEU P 40 -4.933 -1.427 1.625 1.00 1.00 H new ATOM 0 HD21 LEU P 40 -3.925 -4.328 1.174 1.00 1.00 H new ATOM 0 HD22 LEU P 40 -3.809 -3.007 -0.014 1.00 1.00 H new ATOM 0 HD23 LEU P 40 -2.345 -3.889 0.482 1.00 1.00 H new ATOM 674 N ILE P 41 0.342 0.379 1.304 1.00 1.00 N ATOM 675 CA ILE P 41 1.075 1.514 0.770 1.00 1.72 C ATOM 676 C ILE P 41 2.452 1.086 0.260 1.00 1.00 C ATOM 677 O ILE P 41 2.842 1.443 -0.850 1.00 1.00 O ATOM 678 CB ILE P 41 1.194 2.586 1.863 1.00 1.00 C ATOM 679 CG1 ILE P 41 -0.194 3.216 2.149 1.00 1.00 C ATOM 680 CG2 ILE P 41 2.188 3.668 1.455 1.00 1.00 C ATOM 681 CD1 ILE P 41 -0.781 3.934 0.914 1.00 1.00 C ATOM 0 H ILE P 41 0.132 0.442 2.300 1.00 1.00 H new ATOM 0 HA ILE P 41 0.535 1.928 -0.081 1.00 1.72 H new ATOM 0 HB ILE P 41 1.561 2.109 2.772 1.00 1.00 H new ATOM 0 HG12 ILE P 41 -0.883 2.437 2.475 1.00 1.00 H new ATOM 0 HG13 ILE P 41 -0.105 3.927 2.971 1.00 1.00 H new ATOM 0 HG21 ILE P 41 2.256 4.416 2.245 1.00 1.00 H new ATOM 0 HG22 ILE P 41 3.169 3.220 1.295 1.00 1.00 H new ATOM 0 HG23 ILE P 41 1.851 4.143 0.533 1.00 1.00 H new ATOM 0 HD11 ILE P 41 -1.753 4.358 1.167 1.00 1.00 H new ATOM 0 HD12 ILE P 41 -0.107 4.732 0.603 1.00 1.00 H new ATOM 0 HD13 ILE P 41 -0.898 3.220 0.099 1.00 1.00 H new ATOM 693 N PHE P 42 3.192 0.330 1.061 1.00 1.00 N ATOM 694 CA PHE P 42 4.517 -0.109 0.639 1.00 2.36 C ATOM 695 C PHE P 42 4.431 -0.895 -0.664 1.00 1.00 C ATOM 696 O PHE P 42 5.191 -0.650 -1.599 1.00 1.00 O ATOM 697 CB PHE P 42 5.147 -0.981 1.726 1.00 1.00 C ATOM 698 CG PHE P 42 6.537 -1.394 1.303 1.00 1.00 C ATOM 699 CD1 PHE P 42 7.592 -0.481 1.403 1.00 1.00 C ATOM 700 CD2 PHE P 42 6.774 -2.687 0.813 1.00 1.00 C ATOM 701 CE1 PHE P 42 8.883 -0.856 1.014 1.00 1.00 C ATOM 702 CE2 PHE P 42 8.065 -3.061 0.424 1.00 1.00 C ATOM 703 CZ PHE P 42 9.120 -2.145 0.525 1.00 1.00 C ATOM 0 H PHE P 42 2.906 0.013 1.987 1.00 1.00 H new ATOM 0 HA PHE P 42 5.138 0.772 0.476 1.00 2.36 H new ATOM 0 HB2 PHE P 42 5.190 -0.432 2.667 1.00 1.00 H new ATOM 0 HB3 PHE P 42 4.532 -1.864 1.900 1.00 1.00 H new ATOM 0 HD1 PHE P 42 7.410 0.514 1.781 1.00 1.00 H new ATOM 0 HD2 PHE P 42 5.961 -3.393 0.736 1.00 1.00 H new ATOM 0 HE1 PHE P 42 9.697 -0.150 1.091 1.00 1.00 H new ATOM 0 HE2 PHE P 42 8.248 -4.056 0.046 1.00 1.00 H new ATOM 0 HZ PHE P 42 10.117 -2.434 0.225 1.00 1.00 H new ATOM 713 N LEU P 43 3.499 -1.837 -0.718 1.00 1.00 N ATOM 714 CA LEU P 43 3.319 -2.653 -1.912 1.00 2.67 C ATOM 715 C LEU P 43 2.848 -1.796 -3.085 1.00 1.00 C ATOM 716 O LEU P 43 3.309 -1.958 -4.217 1.00 1.00 O ATOM 717 CB LEU P 43 2.298 -3.764 -1.643 1.00 1.00 C ATOM 718 CG LEU P 43 2.881 -4.809 -0.675 1.00 1.00 C ATOM 719 CD1 LEU P 43 1.756 -5.747 -0.217 1.00 1.00 C ATOM 720 CD2 LEU P 43 4.001 -5.634 -1.363 1.00 1.00 C ATOM 0 H LEU P 43 2.859 -2.055 0.046 1.00 1.00 H new ATOM 0 HA LEU P 43 4.280 -3.100 -2.168 1.00 2.67 H new ATOM 0 HB2 LEU P 43 1.389 -3.336 -1.221 1.00 1.00 H new ATOM 0 HB3 LEU P 43 2.019 -4.244 -2.581 1.00 1.00 H new ATOM 0 HG LEU P 43 3.314 -4.295 0.183 1.00 1.00 H new ATOM 0 HD11 LEU P 43 2.160 -6.491 0.469 1.00 1.00 H new ATOM 0 HD12 LEU P 43 0.983 -5.168 0.289 1.00 1.00 H new ATOM 0 HD13 LEU P 43 1.325 -6.249 -1.084 1.00 1.00 H new ATOM 0 HD21 LEU P 43 4.398 -6.366 -0.660 1.00 1.00 H new ATOM 0 HD22 LEU P 43 3.592 -6.150 -2.231 1.00 1.00 H new ATOM 0 HD23 LEU P 43 4.801 -4.966 -1.682 1.00 1.00 H new ATOM 732 N LEU P 44 1.929 -0.881 -2.808 1.00 1.00 N ATOM 733 CA LEU P 44 1.404 0.000 -3.840 1.00 2.24 C ATOM 734 C LEU P 44 2.485 0.965 -4.339 1.00 1.00 C ATOM 735 O LEU P 44 2.561 1.253 -5.532 1.00 1.00 O ATOM 736 CB LEU P 44 0.208 0.789 -3.287 1.00 1.00 C ATOM 737 CG LEU P 44 -1.049 -0.101 -3.212 1.00 1.00 C ATOM 738 CD1 LEU P 44 -2.097 0.596 -2.341 1.00 1.00 C ATOM 739 CD2 LEU P 44 -1.640 -0.350 -4.625 1.00 1.00 C ATOM 0 H LEU P 44 1.533 -0.730 -1.880 1.00 1.00 H new ATOM 0 HA LEU P 44 1.078 -0.610 -4.683 1.00 2.24 H new ATOM 0 HB2 LEU P 44 0.447 1.172 -2.295 1.00 1.00 H new ATOM 0 HB3 LEU P 44 0.011 1.652 -3.923 1.00 1.00 H new ATOM 0 HG LEU P 44 -0.773 -1.063 -2.781 1.00 1.00 H new ATOM 0 HD11 LEU P 44 -2.991 -0.025 -2.281 1.00 1.00 H new ATOM 0 HD12 LEU P 44 -1.694 0.750 -1.340 1.00 1.00 H new ATOM 0 HD13 LEU P 44 -2.353 1.560 -2.781 1.00 1.00 H new ATOM 0 HD21 LEU P 44 -2.525 -0.980 -4.543 1.00 1.00 H new ATOM 0 HD22 LEU P 44 -1.914 0.603 -5.078 1.00 1.00 H new ATOM 0 HD23 LEU P 44 -0.897 -0.848 -5.248 1.00 1.00 H new ATOM 751 N LEU P 45 3.311 1.473 -3.422 1.00 1.00 N ATOM 752 CA LEU P 45 4.369 2.416 -3.799 1.00 2.55 C ATOM 753 C LEU P 45 5.382 1.802 -4.763 1.00 1.00 C ATOM 754 O LEU P 45 5.791 2.446 -5.721 1.00 1.00 O ATOM 755 CB LEU P 45 5.097 2.929 -2.541 1.00 1.00 C ATOM 756 CG LEU P 45 4.255 3.994 -1.811 1.00 1.00 C ATOM 757 CD1 LEU P 45 4.893 4.271 -0.443 1.00 1.00 C ATOM 758 CD2 LEU P 45 4.193 5.312 -2.634 1.00 1.00 C ATOM 0 H LEU P 45 3.271 1.252 -2.427 1.00 1.00 H new ATOM 0 HA LEU P 45 3.886 3.246 -4.314 1.00 2.55 H new ATOM 0 HB2 LEU P 45 5.299 2.096 -1.868 1.00 1.00 H new ATOM 0 HB3 LEU P 45 6.061 3.352 -2.822 1.00 1.00 H new ATOM 0 HG LEU P 45 3.238 3.622 -1.688 1.00 1.00 H new ATOM 0 HD11 LEU P 45 4.308 5.023 0.086 1.00 1.00 H new ATOM 0 HD12 LEU P 45 4.914 3.351 0.141 1.00 1.00 H new ATOM 0 HD13 LEU P 45 5.911 4.636 -0.583 1.00 1.00 H new ATOM 0 HD21 LEU P 45 3.593 6.048 -2.098 1.00 1.00 H new ATOM 0 HD22 LEU P 45 5.202 5.700 -2.776 1.00 1.00 H new ATOM 0 HD23 LEU P 45 3.740 5.113 -3.606 1.00 1.00 H new ATOM 770 N ILE P 46 5.785 0.571 -4.527 1.00 1.00 N ATOM 771 CA ILE P 46 6.747 -0.051 -5.425 1.00 2.29 C ATOM 772 C ILE P 46 6.112 -0.233 -6.796 1.00 1.00 C ATOM 773 O ILE P 46 6.765 -0.063 -7.823 1.00 1.00 O ATOM 774 CB ILE P 46 7.251 -1.387 -4.860 1.00 1.00 C ATOM 775 CG1 ILE P 46 8.129 -2.088 -5.903 1.00 1.00 C ATOM 776 CG2 ILE P 46 6.077 -2.283 -4.481 1.00 1.00 C ATOM 777 CD1 ILE P 46 8.856 -3.266 -5.251 1.00 1.00 C ATOM 0 H ILE P 46 5.475 -0.008 -3.746 1.00 1.00 H new ATOM 0 HA ILE P 46 7.616 0.600 -5.522 1.00 2.29 H new ATOM 0 HB ILE P 46 7.840 -1.191 -3.964 1.00 1.00 H new ATOM 0 HG12 ILE P 46 7.516 -2.440 -6.733 1.00 1.00 H new ATOM 0 HG13 ILE P 46 8.852 -1.385 -6.317 1.00 1.00 H new ATOM 0 HG21 ILE P 46 6.452 -3.225 -4.082 1.00 1.00 H new ATOM 0 HG22 ILE P 46 5.469 -1.786 -3.725 1.00 1.00 H new ATOM 0 HG23 ILE P 46 5.469 -2.479 -5.364 1.00 1.00 H new ATOM 0 HD11 ILE P 46 9.480 -3.764 -5.993 1.00 1.00 H new ATOM 0 HD12 ILE P 46 9.482 -2.902 -4.436 1.00 1.00 H new ATOM 0 HD13 ILE P 46 8.125 -3.973 -4.859 1.00 1.00 H new ATOM 789 N ALA P 47 4.832 -0.575 -6.803 1.00 1.00 N ATOM 790 CA ALA P 47 4.119 -0.772 -8.055 1.00 1.71 C ATOM 791 C ALA P 47 4.017 0.539 -8.842 1.00 1.00 C ATOM 792 O ALA P 47 4.316 0.576 -10.034 1.00 1.00 O ATOM 793 CB ALA P 47 2.718 -1.310 -7.776 1.00 1.00 C ATOM 0 H ALA P 47 4.271 -0.721 -5.964 1.00 1.00 H new ATOM 0 HA ALA P 47 4.677 -1.493 -8.653 1.00 1.71 H new ATOM 0 HB1 ALA P 47 2.190 -1.455 -8.718 1.00 1.00 H new ATOM 0 HB2 ALA P 47 2.792 -2.262 -7.251 1.00 1.00 H new ATOM 0 HB3 ALA P 47 2.171 -0.597 -7.159 1.00 1.00 H new ATOM 799 N ILE P 48 3.588 1.610 -8.169 1.00 1.00 N ATOM 800 CA ILE P 48 3.444 2.916 -8.822 1.00 3.76 C ATOM 801 C ILE P 48 4.793 3.472 -9.298 1.00 1.00 C ATOM 802 O ILE P 48 4.894 3.974 -10.414 1.00 1.00 O ATOM 803 CB ILE P 48 2.778 3.916 -7.857 1.00 1.00 C ATOM 804 CG1 ILE P 48 1.322 3.488 -7.554 1.00 1.00 C ATOM 805 CG2 ILE P 48 2.792 5.333 -8.450 1.00 1.00 C ATOM 806 CD1 ILE P 48 0.460 3.414 -8.830 1.00 1.00 C ATOM 0 H ILE P 48 3.336 1.601 -7.181 1.00 1.00 H new ATOM 0 HA ILE P 48 2.815 2.776 -9.701 1.00 3.76 H new ATOM 0 HB ILE P 48 3.347 3.919 -6.927 1.00 1.00 H new ATOM 0 HG12 ILE P 48 1.326 2.515 -7.063 1.00 1.00 H new ATOM 0 HG13 ILE P 48 0.875 4.196 -6.856 1.00 1.00 H new ATOM 0 HG21 ILE P 48 2.317 6.024 -7.753 1.00 1.00 H new ATOM 0 HG22 ILE P 48 3.822 5.644 -8.624 1.00 1.00 H new ATOM 0 HG23 ILE P 48 2.247 5.338 -9.394 1.00 1.00 H new ATOM 0 HD11 ILE P 48 -0.553 3.110 -8.567 1.00 1.00 H new ATOM 0 HD12 ILE P 48 0.433 4.393 -9.308 1.00 1.00 H new ATOM 0 HD13 ILE P 48 0.890 2.687 -9.518 1.00 1.00 H new ATOM 818 N ILE P 49 5.822 3.387 -8.463 1.00 1.00 N ATOM 819 CA ILE P 49 7.136 3.899 -8.852 1.00 1.00 C ATOM 820 C ILE P 49 7.674 3.121 -10.044 1.00 1.00 C ATOM 821 O ILE P 49 8.197 3.704 -10.996 1.00 1.00 O ATOM 822 CB ILE P 49 8.111 3.795 -7.678 1.00 1.00 C ATOM 823 CG1 ILE P 49 7.706 4.770 -6.545 1.00 1.00 C ATOM 824 CG2 ILE P 49 9.547 4.092 -8.131 1.00 1.00 C ATOM 825 CD1 ILE P 49 7.711 6.238 -7.012 1.00 1.00 C ATOM 0 H ILE P 49 5.778 2.978 -7.530 1.00 1.00 H new ATOM 0 HA ILE P 49 7.031 4.947 -9.134 1.00 1.00 H new ATOM 0 HB ILE P 49 8.069 2.774 -7.299 1.00 1.00 H new ATOM 0 HG12 ILE P 49 6.712 4.509 -6.182 1.00 1.00 H new ATOM 0 HG13 ILE P 49 8.392 4.655 -5.706 1.00 1.00 H new ATOM 0 HG21 ILE P 49 10.221 4.012 -7.278 1.00 1.00 H new ATOM 0 HG22 ILE P 49 9.843 3.375 -8.896 1.00 1.00 H new ATOM 0 HG23 ILE P 49 9.598 5.101 -8.540 1.00 1.00 H new ATOM 0 HD11 ILE P 49 7.421 6.884 -6.184 1.00 1.00 H new ATOM 0 HD12 ILE P 49 8.711 6.509 -7.350 1.00 1.00 H new ATOM 0 HD13 ILE P 49 7.005 6.361 -7.833 1.00 1.00 H new ATOM 837 N VAL P 50 7.541 1.810 -9.990 1.00 1.00 N ATOM 838 CA VAL P 50 8.017 0.976 -11.077 1.00 1.00 C ATOM 839 C VAL P 50 7.254 1.339 -12.342 1.00 1.00 C ATOM 840 O VAL P 50 7.840 1.477 -13.416 1.00 1.00 O ATOM 841 CB VAL P 50 7.824 -0.511 -10.733 1.00 1.00 C ATOM 842 CG1 VAL P 50 8.069 -1.374 -11.976 1.00 1.00 C ATOM 843 CG2 VAL P 50 8.824 -0.913 -9.641 1.00 1.00 C ATOM 0 H VAL P 50 7.113 1.304 -9.215 1.00 1.00 H new ATOM 0 HA VAL P 50 9.082 1.147 -11.235 1.00 1.00 H new ATOM 0 HB VAL P 50 6.804 -0.665 -10.382 1.00 1.00 H new ATOM 0 HG11 VAL P 50 7.930 -2.425 -11.722 1.00 1.00 H new ATOM 0 HG12 VAL P 50 7.364 -1.093 -12.759 1.00 1.00 H new ATOM 0 HG13 VAL P 50 9.087 -1.218 -12.332 1.00 1.00 H new ATOM 0 HG21 VAL P 50 8.690 -1.966 -9.395 1.00 1.00 H new ATOM 0 HG22 VAL P 50 9.840 -0.751 -10.001 1.00 1.00 H new ATOM 0 HG23 VAL P 50 8.653 -0.308 -8.751 1.00 1.00 H new ATOM 853 N MET P 51 5.942 1.499 -12.206 1.00 1.00 N ATOM 854 CA MET P 51 5.099 1.851 -13.335 1.00 1.00 C ATOM 855 C MET P 51 5.458 3.244 -13.857 1.00 1.00 C ATOM 856 O MET P 51 5.331 3.504 -15.053 1.00 1.00 O ATOM 857 CB MET P 51 3.619 1.822 -12.917 1.00 1.00 C ATOM 858 CG MET P 51 3.118 0.375 -12.826 1.00 1.00 C ATOM 859 SD MET P 51 3.055 -0.360 -14.487 1.00 1.00 S ATOM 860 CE MET P 51 4.325 -1.633 -14.270 1.00 1.00 C ATOM 0 H MET P 51 5.442 1.390 -11.324 1.00 1.00 H new ATOM 0 HA MET P 51 5.264 1.123 -14.129 1.00 1.00 H new ATOM 0 HB2 MET P 51 3.497 2.317 -11.954 1.00 1.00 H new ATOM 0 HB3 MET P 51 3.020 2.377 -13.639 1.00 1.00 H new ATOM 0 HG2 MET P 51 3.779 -0.209 -12.185 1.00 1.00 H new ATOM 0 HG3 MET P 51 2.128 0.351 -12.370 1.00 1.00 H new ATOM 0 HE1 MET P 51 4.600 -2.042 -15.242 1.00 1.00 H new ATOM 0 HE2 MET P 51 5.204 -1.193 -13.800 1.00 1.00 H new ATOM 0 HE3 MET P 51 3.936 -2.431 -13.637 1.00 1.00 H new ATOM 870 N LEU P 52 5.899 4.147 -12.971 1.00 1.00 N ATOM 871 CA LEU P 52 6.249 5.496 -13.422 1.00 1.00 C ATOM 872 C LEU P 52 7.385 5.446 -14.440 1.00 1.00 C ATOM 873 O LEU P 52 7.373 6.194 -15.418 1.00 1.00 O ATOM 874 CB LEU P 52 6.628 6.403 -12.230 1.00 1.00 C ATOM 875 CG LEU P 52 5.361 6.963 -11.543 1.00 1.00 C ATOM 876 CD1 LEU P 52 5.768 7.680 -10.244 1.00 1.00 C ATOM 877 CD2 LEU P 52 4.617 7.959 -12.484 1.00 1.00 C ATOM 0 H LEU P 52 6.018 3.976 -11.973 1.00 1.00 H new ATOM 0 HA LEU P 52 5.371 5.925 -13.904 1.00 1.00 H new ATOM 0 HB2 LEU P 52 7.218 5.837 -11.509 1.00 1.00 H new ATOM 0 HB3 LEU P 52 7.253 7.226 -12.577 1.00 1.00 H new ATOM 0 HG LEU P 52 4.686 6.137 -11.317 1.00 1.00 H new ATOM 0 HD11 LEU P 52 4.879 8.078 -9.754 1.00 1.00 H new ATOM 0 HD12 LEU P 52 6.264 6.973 -9.578 1.00 1.00 H new ATOM 0 HD13 LEU P 52 6.450 8.498 -10.478 1.00 1.00 H new ATOM 0 HD21 LEU P 52 3.729 8.341 -11.981 1.00 1.00 H new ATOM 0 HD22 LEU P 52 5.279 8.789 -12.732 1.00 1.00 H new ATOM 0 HD23 LEU P 52 4.323 7.444 -13.399 1.00 1.00 H new ATOM 889 N LEU P 53 8.360 4.575 -14.219 1.00 1.00 N ATOM 890 CA LEU P 53 9.489 4.458 -15.140 1.00 1.00 C ATOM 891 C LEU P 53 9.141 3.513 -16.287 1.00 1.00 C ATOM 892 O LEU P 53 8.506 3.962 -17.227 1.00 1.00 O ATOM 893 CB LEU P 53 10.715 3.922 -14.398 1.00 1.00 C ATOM 894 CG LEU P 53 10.987 4.770 -13.152 1.00 1.00 C ATOM 895 CD1 LEU P 53 12.201 4.203 -12.414 1.00 1.00 C ATOM 896 CD2 LEU P 53 11.257 6.236 -13.555 1.00 1.00 C ATOM 897 OXT LEU P 53 9.516 2.354 -16.208 1.00 1.00 O ATOM 0 H LEU P 53 8.395 3.943 -13.419 1.00 1.00 H new ATOM 0 HA LEU P 53 9.710 5.446 -15.544 1.00 1.00 H new ATOM 0 HB2 LEU P 53 10.551 2.883 -14.112 1.00 1.00 H new ATOM 0 HB3 LEU P 53 11.584 3.938 -15.056 1.00 1.00 H new ATOM 0 HG LEU P 53 10.115 4.742 -12.499 1.00 1.00 H new ATOM 0 HD11 LEU P 53 12.400 4.803 -11.526 1.00 1.00 H new ATOM 0 HD12 LEU P 53 11.999 3.173 -12.119 1.00 1.00 H new ATOM 0 HD13 LEU P 53 13.071 4.228 -13.071 1.00 1.00 H new ATOM 0 HD21 LEU P 53 11.449 6.830 -12.661 1.00 1.00 H new ATOM 0 HD22 LEU P 53 12.125 6.279 -14.212 1.00 1.00 H new ATOM 0 HD23 LEU P 53 10.387 6.636 -14.076 1.00 1.00 H new TER 909 LEU P 53