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+ -174:sc= -0.155 (180deg=-0.211) USER MOD Single : P 2 MET CE :methyl -155:sc= -0.103 (180deg=-0.706) USER MOD Single : P 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 6 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : P 7 TYR OH : rot 180:sc= 0 USER MOD Single : P 9 THR OG1 : rot 93:sc= 1.24 USER MOD Single : P 11 SER OG : rot 69:sc=0.000325 USER MOD Single : P 17 SER OG : rot 180:sc= 0 USER MOD Single : P 18 THR OG1 : rot -55:sc= 1.13 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) USER MOD Single : P 24 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : P 27 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : P 28 ASN : amide:sc= -1.44 X(o=-1.4,f=-1) USER MOD Single : P 30 GLN : amide:sc= -0.0981 X(o=-0.098,f=-0.6) USER MOD Single : P 31 ASN : amide:sc= -0.0682 K(o=-0.068,f=-1.5) USER MOD Single : P 35 ASN : amide:sc= -1.92! C(o=-1.9!,f=-5!) USER MOD Single : P 51 MET CE :methyl -169:sc= -0.816 (180deg=-1.24) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA P 1 -15.779 34.955 14.443 1.00 1.00 N ATOM 2 CA ALA P 1 -16.206 33.877 13.505 1.00 1.00 C ATOM 3 C ALA P 1 -14.971 33.163 12.963 1.00 1.00 C ATOM 4 O ALA P 1 -15.083 32.138 12.292 1.00 1.00 O ATOM 5 CB ALA P 1 -17.006 34.486 12.348 1.00 1.00 C ATOM 0 H1 ALA P 1 -16.617 35.377 14.892 1.00 1.00 H new ATOM 0 H2 ALA P 1 -15.159 34.553 15.175 1.00 1.00 H new ATOM 0 H3 ALA P 1 -15.262 35.688 13.917 1.00 1.00 H new ATOM 0 HA ALA P 1 -16.836 33.161 14.033 1.00 1.00 H new ATOM 0 HB1 ALA P 1 -17.316 33.696 11.665 1.00 1.00 H new ATOM 0 HB2 ALA P 1 -17.887 34.992 12.742 1.00 1.00 H new ATOM 0 HB3 ALA P 1 -16.384 35.204 11.814 1.00 1.00 H new ATOM 13 N MET P 2 -13.789 33.710 13.261 1.00 1.00 N ATOM 14 CA MET P 2 -12.525 33.119 12.803 1.00 1.00 C ATOM 15 C MET P 2 -11.917 32.242 13.897 1.00 1.00 C ATOM 16 O MET P 2 -10.982 31.488 13.639 1.00 1.00 O ATOM 17 CB MET P 2 -11.528 34.225 12.436 1.00 1.00 C ATOM 18 CG MET P 2 -12.020 35.002 11.209 1.00 1.00 C ATOM 19 SD MET P 2 -12.037 33.923 9.748 1.00 1.00 S ATOM 20 CE MET P 2 -10.247 33.765 9.512 1.00 1.00 C ATOM 0 H MET P 2 -13.679 34.559 13.816 1.00 1.00 H new ATOM 0 HA MET P 2 -12.733 32.507 11.925 1.00 1.00 H new ATOM 0 HB2 MET P 2 -11.403 34.905 13.279 1.00 1.00 H new ATOM 0 HB3 MET P 2 -10.551 33.789 12.230 1.00 1.00 H new ATOM 0 HG2 MET P 2 -13.021 35.392 11.394 1.00 1.00 H new ATOM 0 HG3 MET P 2 -11.372 35.860 11.029 1.00 1.00 H new ATOM 0 HE1 MET P 2 -10.037 33.535 8.467 1.00 1.00 H new ATOM 0 HE2 MET P 2 -9.760 34.702 9.783 1.00 1.00 H new ATOM 0 HE3 MET P 2 -9.866 32.962 10.144 1.00 1.00 H new ATOM 30 N GLU P 3 -12.452 32.343 15.120 1.00 1.00 N ATOM 31 CA GLU P 3 -11.949 31.549 16.249 1.00 1.00 C ATOM 32 C GLU P 3 -12.792 30.292 16.427 1.00 1.00 C ATOM 33 O GLU P 3 -12.283 29.237 16.803 1.00 1.00 O ATOM 34 CB GLU P 3 -11.995 32.379 17.534 1.00 1.00 C ATOM 35 CG GLU P 3 -11.304 31.608 18.661 1.00 1.00 C ATOM 36 CD GLU P 3 -11.284 32.447 19.937 1.00 1.00 C ATOM 37 OE1 GLU P 3 -11.537 33.636 19.844 1.00 1.00 O ATOM 38 OE2 GLU P 3 -11.015 31.886 20.987 1.00 1.00 O ATOM 0 H GLU P 3 -13.228 32.962 15.353 1.00 1.00 H new ATOM 0 HA GLU P 3 -10.919 31.262 16.040 1.00 1.00 H new ATOM 0 HB2 GLU P 3 -11.501 33.338 17.379 1.00 1.00 H new ATOM 0 HB3 GLU P 3 -13.029 32.593 17.805 1.00 1.00 H new ATOM 0 HG2 GLU P 3 -11.826 30.669 18.843 1.00 1.00 H new ATOM 0 HG3 GLU P 3 -10.285 31.355 18.367 1.00 1.00 H new ATOM 45 N LYS P 4 -14.084 30.416 16.149 1.00 1.00 N ATOM 46 CA LYS P 4 -15.000 29.287 16.276 1.00 1.00 C ATOM 47 C LYS P 4 -14.625 28.186 15.294 1.00 1.00 C ATOM 48 O LYS P 4 -14.672 27.000 15.621 1.00 1.00 O ATOM 49 CB LYS P 4 -16.436 29.741 16.010 1.00 1.00 C ATOM 50 CG LYS P 4 -16.898 30.684 17.123 1.00 1.00 C ATOM 51 CD LYS P 4 -18.337 31.127 16.849 1.00 1.00 C ATOM 52 CE LYS P 4 -18.788 32.098 17.943 1.00 1.00 C ATOM 53 NZ LYS P 4 -20.192 32.526 17.678 1.00 1.00 N ATOM 0 H LYS P 4 -14.521 31.283 15.835 1.00 1.00 H new ATOM 0 HA LYS P 4 -14.927 28.898 17.292 1.00 1.00 H new ATOM 0 HB2 LYS P 4 -16.494 30.246 15.046 1.00 1.00 H new ATOM 0 HB3 LYS P 4 -17.096 28.876 15.957 1.00 1.00 H new ATOM 0 HG2 LYS P 4 -16.838 30.182 18.089 1.00 1.00 H new ATOM 0 HG3 LYS P 4 -16.242 31.553 17.174 1.00 1.00 H new ATOM 0 HD2 LYS P 4 -18.402 31.607 15.872 1.00 1.00 H new ATOM 0 HD3 LYS P 4 -18.997 30.260 16.822 1.00 1.00 H new ATOM 0 HE2 LYS P 4 -18.720 31.619 18.920 1.00 1.00 H new ATOM 0 HE3 LYS P 4 -18.130 32.967 17.967 1.00 1.00 H new ATOM 0 HZ1 LYS P 4 -20.500 33.186 18.421 1.00 1.00 H new ATOM 0 HZ2 LYS P 4 -20.242 32.998 16.753 1.00 1.00 H new ATOM 0 HZ3 LYS P 4 -20.814 31.693 17.676 1.00 1.00 H new ATOM 67 N VAL P 5 -14.256 28.599 14.091 1.00 1.00 N ATOM 68 CA VAL P 5 -13.871 27.653 13.054 1.00 1.00 C ATOM 69 C VAL P 5 -12.631 26.873 13.482 1.00 1.00 C ATOM 70 O VAL P 5 -12.537 25.665 13.260 1.00 1.00 O ATOM 71 CB VAL P 5 -13.605 28.394 11.736 1.00 1.00 C ATOM 72 CG1 VAL P 5 -12.432 29.360 11.906 1.00 1.00 C ATOM 73 CG2 VAL P 5 -13.277 27.383 10.632 1.00 1.00 C ATOM 0 H VAL P 5 -14.215 29.578 13.809 1.00 1.00 H new ATOM 0 HA VAL P 5 -14.689 26.948 12.902 1.00 1.00 H new ATOM 0 HB VAL P 5 -14.497 28.957 11.461 1.00 1.00 H new ATOM 0 HG11 VAL P 5 -12.251 29.881 10.966 1.00 1.00 H new ATOM 0 HG12 VAL P 5 -12.668 30.086 12.684 1.00 1.00 H new ATOM 0 HG13 VAL P 5 -11.540 28.802 12.190 1.00 1.00 H new ATOM 0 HG21 VAL P 5 -13.089 27.912 9.698 1.00 1.00 H new ATOM 0 HG22 VAL P 5 -12.390 26.814 10.912 1.00 1.00 H new ATOM 0 HG23 VAL P 5 -14.118 26.703 10.500 1.00 1.00 H new ATOM 83 N GLN P 6 -11.683 27.568 14.096 1.00 1.00 N ATOM 84 CA GLN P 6 -10.451 26.926 14.551 1.00 1.00 C ATOM 85 C GLN P 6 -10.728 25.930 15.669 1.00 1.00 C ATOM 86 O GLN P 6 -10.194 24.820 15.674 1.00 1.00 O ATOM 87 CB GLN P 6 -9.453 27.971 15.051 1.00 1.00 C ATOM 88 CG GLN P 6 -8.923 28.782 13.874 1.00 1.00 C ATOM 89 CD GLN P 6 -7.941 29.835 14.372 1.00 1.00 C ATOM 90 OE1 GLN P 6 -7.653 29.903 15.567 1.00 1.00 O ATOM 91 NE2 GLN P 6 -7.400 30.664 13.523 1.00 1.00 N ATOM 0 H GLN P 6 -11.739 28.568 14.291 1.00 1.00 H new ATOM 0 HA GLN P 6 -10.028 26.394 13.699 1.00 1.00 H new ATOM 0 HB2 GLN P 6 -9.934 28.631 15.772 1.00 1.00 H new ATOM 0 HB3 GLN P 6 -8.628 27.481 15.568 1.00 1.00 H new ATOM 0 HG2 GLN P 6 -8.431 28.123 13.159 1.00 1.00 H new ATOM 0 HG3 GLN P 6 -9.750 29.262 13.350 1.00 1.00 H new ATOM 0 HE21 GLN P 6 -7.638 30.608 12.533 1.00 1.00 H new ATOM 0 HE22 GLN P 6 -6.738 31.369 13.849 1.00 1.00 H new ATOM 100 N TYR P 7 -11.560 26.336 16.614 1.00 1.00 N ATOM 101 CA TYR P 7 -11.898 25.469 17.738 1.00 1.00 C ATOM 102 C TYR P 7 -12.562 24.185 17.252 1.00 1.00 C ATOM 103 O TYR P 7 -12.147 23.087 17.620 1.00 1.00 O ATOM 104 CB TYR P 7 -12.832 26.210 18.697 1.00 1.00 C ATOM 105 CG TYR P 7 -13.269 25.282 19.808 1.00 1.00 C ATOM 106 CD1 TYR P 7 -12.451 25.084 20.925 1.00 1.00 C ATOM 107 CD2 TYR P 7 -14.499 24.617 19.716 1.00 1.00 C ATOM 108 CE1 TYR P 7 -12.862 24.222 21.951 1.00 1.00 C ATOM 109 CE2 TYR P 7 -14.909 23.756 20.739 1.00 1.00 C ATOM 110 CZ TYR P 7 -14.092 23.557 21.857 1.00 1.00 C ATOM 111 OH TYR P 7 -14.498 22.705 22.867 1.00 1.00 O ATOM 0 H TYR P 7 -12.011 27.251 16.629 1.00 1.00 H new ATOM 0 HA TYR P 7 -10.979 25.202 18.260 1.00 1.00 H new ATOM 0 HB2 TYR P 7 -12.323 27.079 19.116 1.00 1.00 H new ATOM 0 HB3 TYR P 7 -13.703 26.580 18.157 1.00 1.00 H new ATOM 0 HD1 TYR P 7 -11.502 25.595 20.997 1.00 1.00 H new ATOM 0 HD2 TYR P 7 -15.131 24.770 18.854 1.00 1.00 H new ATOM 0 HE1 TYR P 7 -12.231 24.070 22.814 1.00 1.00 H new ATOM 0 HE2 TYR P 7 -15.857 23.244 20.666 1.00 1.00 H new ATOM 0 HH TYR P 7 -15.374 22.327 22.644 1.00 1.00 H new ATOM 121 N LEU P 8 -13.597 24.334 16.431 1.00 1.00 N ATOM 122 CA LEU P 8 -14.314 23.174 15.908 1.00 1.00 C ATOM 123 C LEU P 8 -13.339 22.226 15.219 1.00 1.00 C ATOM 124 O LEU P 8 -13.446 21.009 15.355 1.00 1.00 O ATOM 125 CB LEU P 8 -15.386 23.616 14.906 1.00 1.00 C ATOM 126 CG LEU P 8 -16.505 24.390 15.623 1.00 1.00 C ATOM 127 CD1 LEU P 8 -17.404 25.051 14.577 1.00 1.00 C ATOM 128 CD2 LEU P 8 -17.353 23.443 16.509 1.00 1.00 C ATOM 0 H LEU P 8 -13.956 25.235 16.116 1.00 1.00 H new ATOM 0 HA LEU P 8 -14.794 22.661 16.741 1.00 1.00 H new ATOM 0 HB2 LEU P 8 -14.937 24.244 14.137 1.00 1.00 H new ATOM 0 HB3 LEU P 8 -15.803 22.744 14.402 1.00 1.00 H new ATOM 0 HG LEU P 8 -16.053 25.147 16.264 1.00 1.00 H new ATOM 0 HD11 LEU P 8 -18.200 25.602 15.078 1.00 1.00 H new ATOM 0 HD12 LEU P 8 -16.813 25.738 13.971 1.00 1.00 H new ATOM 0 HD13 LEU P 8 -17.840 24.285 13.936 1.00 1.00 H new ATOM 0 HD21 LEU P 8 -18.137 24.014 17.005 1.00 1.00 H new ATOM 0 HD22 LEU P 8 -17.805 22.670 15.887 1.00 1.00 H new ATOM 0 HD23 LEU P 8 -16.714 22.977 17.259 1.00 1.00 H new ATOM 140 N THR P 9 -12.383 22.785 14.485 1.00 1.00 N ATOM 141 CA THR P 9 -11.399 21.963 13.792 1.00 1.00 C ATOM 142 C THR P 9 -10.587 21.168 14.811 1.00 1.00 C ATOM 143 O THR P 9 -10.342 19.976 14.632 1.00 1.00 O ATOM 144 CB THR P 9 -10.463 22.845 12.962 1.00 1.00 C ATOM 145 OG1 THR P 9 -11.236 23.743 12.177 1.00 1.00 O ATOM 146 CG2 THR P 9 -9.605 21.968 12.049 1.00 1.00 C ATOM 0 H THR P 9 -12.269 23.790 14.356 1.00 1.00 H new ATOM 0 HA THR P 9 -11.919 21.275 13.125 1.00 1.00 H new ATOM 0 HB THR P 9 -9.812 23.412 13.627 1.00 1.00 H new ATOM 0 HG1 THR P 9 -11.353 24.585 12.664 1.00 1.00 H new ATOM 0 HG21 THR P 9 -8.940 22.598 11.459 1.00 1.00 H new ATOM 0 HG22 THR P 9 -9.013 21.282 12.655 1.00 1.00 H new ATOM 0 HG23 THR P 9 -10.250 21.397 11.381 1.00 1.00 H new ATOM 154 N ARG P 10 -10.175 21.847 15.882 1.00 1.00 N ATOM 155 CA ARG P 10 -9.393 21.206 16.932 1.00 1.00 C ATOM 156 C ARG P 10 -10.151 20.012 17.502 1.00 1.00 C ATOM 157 O ARG P 10 -9.577 18.948 17.733 1.00 1.00 O ATOM 158 CB ARG P 10 -9.090 22.213 18.048 1.00 1.00 C ATOM 159 CG ARG P 10 -8.210 21.555 19.116 1.00 1.00 C ATOM 160 CD ARG P 10 -7.875 22.571 20.208 1.00 1.00 C ATOM 161 NE ARG P 10 -6.939 21.983 21.168 1.00 1.00 N ATOM 162 CZ ARG P 10 -7.370 21.244 22.186 1.00 1.00 C ATOM 163 NH1 ARG P 10 -8.647 21.038 22.338 1.00 1.00 N ATOM 164 NH2 ARG P 10 -6.515 20.722 23.029 1.00 1.00 N ATOM 0 H ARG P 10 -10.370 22.835 16.042 1.00 1.00 H new ATOM 0 HA ARG P 10 -8.454 20.854 16.504 1.00 1.00 H new ATOM 0 HB2 ARG P 10 -8.585 23.086 17.635 1.00 1.00 H new ATOM 0 HB3 ARG P 10 -10.020 22.564 18.496 1.00 1.00 H new ATOM 0 HG2 ARG P 10 -8.727 20.699 19.549 1.00 1.00 H new ATOM 0 HG3 ARG P 10 -7.293 21.178 18.663 1.00 1.00 H new ATOM 0 HD2 ARG P 10 -7.439 23.465 19.763 1.00 1.00 H new ATOM 0 HD3 ARG P 10 -8.786 22.882 20.719 1.00 1.00 H new ATOM 0 HE ARG P 10 -5.938 22.143 21.054 1.00 1.00 H new ATOM 0 HH11 ARG P 10 -9.311 21.443 21.678 1.00 1.00 H new ATOM 0 HH12 ARG P 10 -8.983 20.472 23.117 1.00 1.00 H new ATOM 0 HH21 ARG P 10 -5.515 20.882 22.906 1.00 1.00 H new ATOM 0 HH22 ARG P 10 -6.849 20.156 23.809 1.00 1.00 H new ATOM 178 N SER P 11 -11.440 20.203 17.718 1.00 1.00 N ATOM 179 CA SER P 11 -12.287 19.142 18.255 1.00 1.00 C ATOM 180 C SER P 11 -12.383 18.003 17.246 1.00 1.00 C ATOM 181 O SER P 11 -12.350 16.833 17.606 1.00 1.00 O ATOM 182 CB SER P 11 -13.682 19.685 18.560 1.00 1.00 C ATOM 183 OG SER P 11 -13.574 20.732 19.520 1.00 1.00 O ATOM 0 H SER P 11 -11.927 21.080 17.532 1.00 1.00 H new ATOM 0 HA SER P 11 -11.846 18.769 19.179 1.00 1.00 H new ATOM 0 HB2 SER P 11 -14.148 20.057 17.648 1.00 1.00 H new ATOM 0 HB3 SER P 11 -14.320 18.889 18.942 1.00 1.00 H new ATOM 0 HG SER P 11 -13.131 21.505 19.112 1.00 1.00 H new ATOM 189 N ALA P 12 -12.495 18.379 15.977 1.00 1.00 N ATOM 190 CA ALA P 12 -12.588 17.404 14.904 1.00 1.00 C ATOM 191 C ALA P 12 -11.320 16.579 14.933 1.00 1.00 C ATOM 192 O ALA P 12 -11.303 15.382 14.646 1.00 1.00 O ATOM 193 CB ALA P 12 -12.715 18.118 13.557 1.00 1.00 C ATOM 0 H ALA P 12 -12.523 19.351 15.669 1.00 1.00 H new ATOM 0 HA ALA P 12 -13.465 16.770 15.035 1.00 1.00 H new ATOM 0 HB1 ALA P 12 -12.784 17.379 12.759 1.00 1.00 H new ATOM 0 HB2 ALA P 12 -13.612 18.738 13.557 1.00 1.00 H new ATOM 0 HB3 ALA P 12 -11.840 18.747 13.395 1.00 1.00 H new ATOM 199 N ILE P 13 -10.262 17.272 15.296 1.00 1.00 N ATOM 200 CA ILE P 13 -8.931 16.696 15.403 1.00 1.00 C ATOM 201 C ILE P 13 -8.809 15.915 16.722 1.00 1.00 C ATOM 202 O ILE P 13 -8.076 14.928 16.803 1.00 1.00 O ATOM 203 CB ILE P 13 -7.885 17.862 15.287 1.00 1.00 C ATOM 204 CG1 ILE P 13 -7.255 17.909 13.881 1.00 1.00 C ATOM 205 CG2 ILE P 13 -6.768 17.769 16.333 1.00 1.00 C ATOM 206 CD1 ILE P 13 -6.541 19.248 13.687 1.00 1.00 C ATOM 0 H ILE P 13 -10.299 18.264 15.529 1.00 1.00 H new ATOM 0 HA ILE P 13 -8.739 15.984 14.601 1.00 1.00 H new ATOM 0 HB ILE P 13 -8.444 18.779 15.472 1.00 1.00 H new ATOM 0 HG12 ILE P 13 -6.549 17.087 13.759 1.00 1.00 H new ATOM 0 HG13 ILE P 13 -8.026 17.782 13.121 1.00 1.00 H new ATOM 0 HG21 ILE P 13 -6.077 18.602 16.202 1.00 1.00 H new ATOM 0 HG22 ILE P 13 -7.201 17.811 17.332 1.00 1.00 H new ATOM 0 HG23 ILE P 13 -6.231 16.829 16.209 1.00 1.00 H new ATOM 0 HD11 ILE P 13 -6.095 19.282 12.693 1.00 1.00 H new ATOM 0 HD12 ILE P 13 -7.259 20.062 13.791 1.00 1.00 H new ATOM 0 HD13 ILE P 13 -5.759 19.356 14.439 1.00 1.00 H new ATOM 218 N ARG P 14 -9.533 16.370 17.743 1.00 1.00 N ATOM 219 CA ARG P 14 -9.490 15.705 19.039 1.00 1.00 C ATOM 220 C ARG P 14 -9.984 14.279 18.876 1.00 1.00 C ATOM 221 O ARG P 14 -9.379 13.326 19.361 1.00 1.00 O ATOM 222 CB ARG P 14 -10.359 16.464 20.041 1.00 1.00 C ATOM 223 CG ARG P 14 -10.236 15.815 21.419 1.00 1.00 C ATOM 224 CD ARG P 14 -10.985 16.660 22.446 1.00 1.00 C ATOM 225 NE ARG P 14 -12.411 16.682 22.137 1.00 1.00 N ATOM 226 CZ ARG P 14 -13.243 17.487 22.790 1.00 1.00 C ATOM 227 NH1 ARG P 14 -12.789 18.276 23.725 1.00 1.00 N ATOM 228 NH2 ARG P 14 -14.513 17.491 22.494 1.00 1.00 N ATOM 0 H ARG P 14 -10.147 17.184 17.698 1.00 1.00 H new ATOM 0 HA ARG P 14 -8.468 15.690 19.416 1.00 1.00 H new ATOM 0 HB2 ARG P 14 -10.048 17.508 20.090 1.00 1.00 H new ATOM 0 HB3 ARG P 14 -11.399 16.456 19.715 1.00 1.00 H new ATOM 0 HG2 ARG P 14 -10.645 14.805 21.395 1.00 1.00 H new ATOM 0 HG3 ARG P 14 -9.186 15.728 21.700 1.00 1.00 H new ATOM 0 HD2 ARG P 14 -10.828 16.254 23.445 1.00 1.00 H new ATOM 0 HD3 ARG P 14 -10.590 17.676 22.449 1.00 1.00 H new ATOM 0 HE ARG P 14 -12.775 16.069 21.408 1.00 1.00 H new ATOM 0 HH11 ARG P 14 -11.795 18.275 23.955 1.00 1.00 H new ATOM 0 HH12 ARG P 14 -13.428 18.894 24.226 1.00 1.00 H new ATOM 0 HH21 ARG P 14 -14.868 16.876 21.761 1.00 1.00 H new ATOM 0 HH22 ARG P 14 -15.152 18.109 22.995 1.00 1.00 H new ATOM 242 N ARG P 15 -11.093 14.157 18.180 1.00 1.00 N ATOM 243 CA ARG P 15 -11.703 12.873 17.922 1.00 1.00 C ATOM 244 C ARG P 15 -10.659 11.957 17.318 1.00 1.00 C ATOM 245 O ARG P 15 -10.600 10.776 17.616 1.00 1.00 O ATOM 246 CB ARG P 15 -12.853 13.050 16.936 1.00 1.00 C ATOM 247 CG ARG P 15 -13.937 13.919 17.565 1.00 1.00 C ATOM 248 CD ARG P 15 -14.986 14.258 16.508 1.00 1.00 C ATOM 249 NE ARG P 15 -15.676 13.045 16.073 1.00 1.00 N ATOM 250 CZ ARG P 15 -16.522 13.059 15.045 1.00 1.00 C ATOM 251 NH1 ARG P 15 -16.739 14.169 14.388 1.00 1.00 N ATOM 252 NH2 ARG P 15 -17.130 11.958 14.690 1.00 1.00 N ATOM 0 H ARG P 15 -11.597 14.947 17.777 1.00 1.00 H new ATOM 0 HA ARG P 15 -12.085 12.445 18.849 1.00 1.00 H new ATOM 0 HB2 ARG P 15 -12.490 13.512 16.018 1.00 1.00 H new ATOM 0 HB3 ARG P 15 -13.264 12.078 16.663 1.00 1.00 H new ATOM 0 HG2 ARG P 15 -14.401 13.394 18.400 1.00 1.00 H new ATOM 0 HG3 ARG P 15 -13.500 14.833 17.967 1.00 1.00 H new ATOM 0 HD2 ARG P 15 -15.706 14.968 16.915 1.00 1.00 H new ATOM 0 HD3 ARG P 15 -14.510 14.740 15.654 1.00 1.00 H new ATOM 0 HE ARG P 15 -15.506 12.169 16.567 1.00 1.00 H new ATOM 0 HH11 ARG P 15 -16.260 15.026 14.663 1.00 1.00 H new ATOM 0 HH12 ARG P 15 -17.388 14.177 13.601 1.00 1.00 H new ATOM 0 HH21 ARG P 15 -16.956 11.092 15.200 1.00 1.00 H new ATOM 0 HH22 ARG P 15 -17.779 11.965 13.903 1.00 1.00 H new ATOM 266 N ALA P 16 -9.805 12.510 16.473 1.00 1.00 N ATOM 267 CA ALA P 16 -8.767 11.694 15.867 1.00 1.00 C ATOM 268 C ALA P 16 -8.008 11.006 16.986 1.00 1.00 C ATOM 269 O ALA P 16 -7.415 9.942 16.817 1.00 1.00 O ATOM 270 CB ALA P 16 -7.828 12.546 15.006 1.00 1.00 C ATOM 0 H ALA P 16 -9.807 13.492 16.197 1.00 1.00 H new ATOM 0 HA ALA P 16 -9.212 10.952 15.204 1.00 1.00 H new ATOM 0 HB1 ALA P 16 -7.061 11.909 14.565 1.00 1.00 H new ATOM 0 HB2 ALA P 16 -8.399 13.029 14.213 1.00 1.00 H new ATOM 0 HB3 ALA P 16 -7.355 13.307 15.627 1.00 1.00 H new ATOM 276 N SER P 17 -8.068 11.659 18.136 1.00 1.00 N ATOM 277 CA SER P 17 -7.420 11.166 19.336 1.00 1.00 C ATOM 278 C SER P 17 -8.374 10.247 20.103 1.00 1.00 C ATOM 279 O SER P 17 -8.123 9.052 20.226 1.00 1.00 O ATOM 280 CB SER P 17 -6.980 12.342 20.224 1.00 1.00 C ATOM 281 OG SER P 17 -5.819 11.961 20.952 1.00 1.00 O ATOM 0 H SER P 17 -8.565 12.541 18.261 1.00 1.00 H new ATOM 0 HA SER P 17 -6.535 10.597 19.053 1.00 1.00 H new ATOM 0 HB2 SER P 17 -6.770 13.219 19.611 1.00 1.00 H new ATOM 0 HB3 SER P 17 -7.781 12.617 20.910 1.00 1.00 H new ATOM 0 HG SER P 17 -5.530 12.706 21.520 1.00 1.00 H new ATOM 287 N THR P 18 -9.461 10.814 20.648 1.00 1.00 N ATOM 288 CA THR P 18 -10.436 10.040 21.437 1.00 1.00 C ATOM 289 C THR P 18 -11.751 9.701 20.727 1.00 1.00 C ATOM 290 O THR P 18 -12.759 9.487 21.404 1.00 1.00 O ATOM 291 CB THR P 18 -10.754 10.814 22.715 1.00 1.00 C ATOM 292 OG1 THR P 18 -11.487 9.974 23.597 1.00 1.00 O ATOM 293 CG2 THR P 18 -11.583 12.053 22.374 1.00 1.00 C ATOM 0 H THR P 18 -9.688 11.804 20.558 1.00 1.00 H new ATOM 0 HA THR P 18 -9.957 9.080 21.629 1.00 1.00 H new ATOM 0 HB THR P 18 -9.827 11.128 23.194 1.00 1.00 H new ATOM 0 HG1 THR P 18 -12.280 9.628 23.136 1.00 1.00 H new ATOM 0 HG21 THR P 18 -11.808 12.603 23.288 1.00 1.00 H new ATOM 0 HG22 THR P 18 -11.019 12.693 21.695 1.00 1.00 H new ATOM 0 HG23 THR P 18 -12.514 11.748 21.896 1.00 1.00 H new ATOM 301 N ILE P 19 -11.760 9.637 19.389 1.00 1.00 N ATOM 302 CA ILE P 19 -13.009 9.298 18.658 1.00 1.00 C ATOM 303 C ILE P 19 -13.685 8.137 19.389 1.00 1.00 C ATOM 304 O ILE P 19 -14.908 8.001 19.422 1.00 1.00 O ATOM 305 CB ILE P 19 -12.701 8.860 17.219 1.00 1.00 C ATOM 306 CG1 ILE P 19 -13.957 8.295 16.525 1.00 1.00 C ATOM 307 CG2 ILE P 19 -11.632 7.768 17.249 1.00 1.00 C ATOM 308 CD1 ILE P 19 -15.107 9.302 16.593 1.00 1.00 C ATOM 0 H ILE P 19 -10.948 9.808 18.796 1.00 1.00 H new ATOM 0 HA ILE P 19 -13.653 10.176 18.623 1.00 1.00 H new ATOM 0 HB ILE P 19 -12.355 9.732 16.664 1.00 1.00 H new ATOM 0 HG12 ILE P 19 -13.731 8.062 15.484 1.00 1.00 H new ATOM 0 HG13 ILE P 19 -14.255 7.362 17.003 1.00 1.00 H new ATOM 0 HG21 ILE P 19 -11.407 7.451 16.231 1.00 1.00 H new ATOM 0 HG22 ILE P 19 -10.727 8.157 17.716 1.00 1.00 H new ATOM 0 HG23 ILE P 19 -11.998 6.916 17.822 1.00 1.00 H new ATOM 0 HD11 ILE P 19 -15.985 8.886 16.098 1.00 1.00 H new ATOM 0 HD12 ILE P 19 -15.344 9.513 17.636 1.00 1.00 H new ATOM 0 HD13 ILE P 19 -14.812 10.225 16.094 1.00 1.00 H new ATOM 320 N GLU P 20 -12.836 7.306 19.987 1.00 1.00 N ATOM 321 CA GLU P 20 -13.271 6.139 20.749 1.00 1.00 C ATOM 322 C GLU P 20 -12.641 6.194 22.135 1.00 1.00 C ATOM 323 O GLU P 20 -11.435 6.023 22.293 1.00 1.00 O ATOM 324 CB GLU P 20 -12.883 4.846 20.006 1.00 1.00 C ATOM 325 CG GLU P 20 -11.376 4.542 20.137 1.00 1.00 C ATOM 326 CD GLU P 20 -10.929 3.632 18.995 1.00 1.00 C ATOM 327 OE1 GLU P 20 -10.586 4.153 17.946 1.00 1.00 O ATOM 328 OE2 GLU P 20 -10.936 2.429 19.189 1.00 1.00 O ATOM 0 H GLU P 20 -11.823 7.423 19.957 1.00 1.00 H new ATOM 0 HA GLU P 20 -14.356 6.143 20.855 1.00 1.00 H new ATOM 0 HB2 GLU P 20 -13.459 4.011 20.405 1.00 1.00 H new ATOM 0 HB3 GLU P 20 -13.145 4.939 18.952 1.00 1.00 H new ATOM 0 HG2 GLU P 20 -10.806 5.471 20.118 1.00 1.00 H new ATOM 0 HG3 GLU P 20 -11.174 4.063 21.095 1.00 1.00 H new ATOM 335 N MET P 21 -13.486 6.451 23.133 1.00 1.00 N ATOM 336 CA MET P 21 -13.045 6.549 24.542 1.00 1.00 C ATOM 337 C MET P 21 -11.871 5.597 24.821 1.00 1.00 C ATOM 338 O MET P 21 -10.799 6.056 25.215 1.00 1.00 O ATOM 339 CB MET P 21 -14.233 6.261 25.513 1.00 1.00 C ATOM 340 CG MET P 21 -14.777 7.555 26.146 1.00 1.00 C ATOM 341 SD MET P 21 -15.460 8.616 24.841 1.00 1.00 S ATOM 342 CE MET P 21 -17.047 9.009 25.624 1.00 1.00 C ATOM 0 H MET P 21 -14.487 6.597 23.000 1.00 1.00 H new ATOM 0 HA MET P 21 -12.699 7.568 24.716 1.00 1.00 H new ATOM 0 HB2 MET P 21 -15.033 5.757 24.970 1.00 1.00 H new ATOM 0 HB3 MET P 21 -13.904 5.582 26.299 1.00 1.00 H new ATOM 0 HG2 MET P 21 -15.548 7.319 26.880 1.00 1.00 H new ATOM 0 HG3 MET P 21 -13.981 8.077 26.676 1.00 1.00 H new ATOM 0 HE1 MET P 21 -17.624 9.662 24.969 1.00 1.00 H new ATOM 0 HE2 MET P 21 -17.604 8.089 25.800 1.00 1.00 H new ATOM 0 HE3 MET P 21 -16.869 9.513 26.574 1.00 1.00 H new ATOM 352 N PRO P 22 -12.044 4.304 24.630 1.00 1.00 N ATOM 353 CA PRO P 22 -10.952 3.321 24.875 1.00 1.00 C ATOM 354 C PRO P 22 -9.593 3.886 24.465 1.00 1.00 C ATOM 355 O PRO P 22 -9.399 4.308 23.330 1.00 1.00 O ATOM 356 CB PRO P 22 -11.359 2.131 24.003 1.00 1.00 C ATOM 357 CG PRO P 22 -12.862 2.152 23.990 1.00 1.00 C ATOM 358 CD PRO P 22 -13.279 3.631 24.167 1.00 1.00 C ATOM 0 HA PRO P 22 -10.837 3.057 25.926 1.00 1.00 H new ATOM 0 HB2 PRO P 22 -10.955 2.224 22.995 1.00 1.00 H new ATOM 0 HB3 PRO P 22 -10.981 1.194 24.413 1.00 1.00 H new ATOM 0 HG2 PRO P 22 -13.248 1.749 23.054 1.00 1.00 H new ATOM 0 HG3 PRO P 22 -13.266 1.536 24.793 1.00 1.00 H new ATOM 0 HD2 PRO P 22 -13.638 4.058 23.231 1.00 1.00 H new ATOM 0 HD3 PRO P 22 -14.085 3.733 24.894 1.00 1.00 H new ATOM 366 N GLN P 23 -8.676 3.888 25.409 1.00 1.00 N ATOM 367 CA GLN P 23 -7.324 4.403 25.173 1.00 1.00 C ATOM 368 C GLN P 23 -6.434 3.350 24.523 1.00 1.00 C ATOM 369 O GLN P 23 -5.326 3.655 24.078 1.00 1.00 O ATOM 370 CB GLN P 23 -6.701 4.840 26.494 1.00 1.00 C ATOM 371 CG GLN P 23 -7.443 6.072 27.014 1.00 1.00 C ATOM 372 CD GLN P 23 -6.919 6.451 28.393 1.00 1.00 C ATOM 373 OE1 GLN P 23 -6.580 5.576 29.188 1.00 1.00 O ATOM 374 NE2 GLN P 23 -6.831 7.710 28.726 1.00 1.00 N ATOM 0 H GLN P 23 -8.833 3.539 26.355 1.00 1.00 H new ATOM 0 HA GLN P 23 -7.403 5.254 24.496 1.00 1.00 H new ATOM 0 HB2 GLN P 23 -6.758 4.031 27.223 1.00 1.00 H new ATOM 0 HB3 GLN P 23 -5.644 5.069 26.354 1.00 1.00 H new ATOM 0 HG2 GLN P 23 -7.310 6.905 26.324 1.00 1.00 H new ATOM 0 HG3 GLN P 23 -8.512 5.868 27.066 1.00 1.00 H new ATOM 0 HE21 GLN P 23 -7.113 8.433 28.064 1.00 1.00 H new ATOM 0 HE22 GLN P 23 -6.480 7.970 29.648 1.00 1.00 H new ATOM 383 N GLN P 24 -6.925 2.115 24.469 1.00 1.00 N ATOM 384 CA GLN P 24 -6.183 1.004 23.869 1.00 1.00 C ATOM 385 C GLN P 24 -6.751 0.732 22.492 1.00 1.00 C ATOM 386 O GLN P 24 -6.035 0.690 21.492 1.00 1.00 O ATOM 387 CB GLN P 24 -6.325 -0.243 24.745 1.00 1.00 C ATOM 388 CG GLN P 24 -5.593 -0.014 26.066 1.00 1.00 C ATOM 389 CD GLN P 24 -5.756 -1.224 26.977 1.00 1.00 C ATOM 390 OE1 GLN P 24 -6.348 -2.226 26.579 1.00 1.00 O ATOM 391 NE2 GLN P 24 -5.260 -1.193 28.185 1.00 1.00 N ATOM 0 H GLN P 24 -7.840 1.855 24.836 1.00 1.00 H new ATOM 0 HA GLN P 24 -5.126 1.260 23.790 1.00 1.00 H new ATOM 0 HB2 GLN P 24 -7.378 -0.454 24.931 1.00 1.00 H new ATOM 0 HB3 GLN P 24 -5.912 -1.111 24.232 1.00 1.00 H new ATOM 0 HG2 GLN P 24 -4.535 0.167 25.877 1.00 1.00 H new ATOM 0 HG3 GLN P 24 -5.986 0.876 26.558 1.00 1.00 H new ATOM 0 HE21 GLN P 24 -4.769 -0.361 28.514 1.00 1.00 H new ATOM 0 HE22 GLN P 24 -5.363 -2.000 28.800 1.00 1.00 H new ATOM 400 N ALA P 25 -8.061 0.548 22.469 1.00 1.00 N ATOM 401 CA ALA P 25 -8.751 0.276 21.216 1.00 1.00 C ATOM 402 C ALA P 25 -8.418 1.404 20.253 1.00 1.00 C ATOM 403 O ALA P 25 -8.584 1.281 19.045 1.00 1.00 O ATOM 404 CB ALA P 25 -10.281 0.132 21.436 1.00 1.00 C ATOM 0 H ALA P 25 -8.663 0.581 23.292 1.00 1.00 H new ATOM 0 HA ALA P 25 -8.419 -0.674 20.797 1.00 1.00 H new ATOM 0 HB1 ALA P 25 -10.768 -0.071 20.482 1.00 1.00 H new ATOM 0 HB2 ALA P 25 -10.474 -0.691 22.124 1.00 1.00 H new ATOM 0 HB3 ALA P 25 -10.677 1.057 21.856 1.00 1.00 H new ATOM 410 N ARG P 26 -7.937 2.506 20.821 1.00 1.00 N ATOM 411 CA ARG P 26 -7.565 3.655 20.054 1.00 1.00 C ATOM 412 C ARG P 26 -6.382 3.308 19.169 1.00 1.00 C ATOM 413 O ARG P 26 -6.531 3.101 17.967 1.00 1.00 O ATOM 414 CB ARG P 26 -7.194 4.780 21.024 1.00 1.00 C ATOM 415 CG ARG P 26 -6.634 5.971 20.264 1.00 1.00 C ATOM 416 CD ARG P 26 -6.385 7.132 21.226 1.00 1.00 C ATOM 417 NE ARG P 26 -5.847 8.283 20.496 1.00 1.00 N ATOM 418 CZ ARG P 26 -4.543 8.410 20.268 1.00 1.00 C ATOM 419 NH1 ARG P 26 -3.713 7.502 20.698 1.00 1.00 N ATOM 420 NH2 ARG P 26 -4.094 9.447 19.613 1.00 1.00 N ATOM 0 H ARG P 26 -7.800 2.612 21.826 1.00 1.00 H new ATOM 0 HA ARG P 26 -8.390 3.977 19.419 1.00 1.00 H new ATOM 0 HB2 ARG P 26 -8.073 5.084 21.592 1.00 1.00 H new ATOM 0 HB3 ARG P 26 -6.458 4.421 21.743 1.00 1.00 H new ATOM 0 HG2 ARG P 26 -5.704 5.692 19.768 1.00 1.00 H new ATOM 0 HG3 ARG P 26 -7.332 6.277 19.484 1.00 1.00 H new ATOM 0 HD2 ARG P 26 -7.315 7.409 21.723 1.00 1.00 H new ATOM 0 HD3 ARG P 26 -5.686 6.826 22.005 1.00 1.00 H new ATOM 0 HE ARG P 26 -6.486 9.002 20.156 1.00 1.00 H new ATOM 0 HH11 ARG P 26 -4.063 6.692 21.210 1.00 1.00 H new ATOM 0 HH12 ARG P 26 -2.713 7.601 20.522 1.00 1.00 H new ATOM 0 HH21 ARG P 26 -4.743 10.158 19.277 1.00 1.00 H new ATOM 0 HH22 ARG P 26 -3.094 9.546 19.438 1.00 1.00 H new ATOM 434 N GLN P 27 -5.198 3.251 19.774 1.00 1.00 N ATOM 435 CA GLN P 27 -3.978 2.935 19.039 1.00 1.00 C ATOM 436 C GLN P 27 -3.972 1.505 18.506 1.00 1.00 C ATOM 437 O GLN P 27 -3.430 1.249 17.432 1.00 1.00 O ATOM 438 CB GLN P 27 -2.764 3.141 19.944 1.00 1.00 C ATOM 439 CG GLN P 27 -2.606 4.631 20.261 1.00 1.00 C ATOM 440 CD GLN P 27 -1.428 4.840 21.209 1.00 1.00 C ATOM 441 OE1 GLN P 27 -0.331 4.336 20.961 1.00 1.00 O ATOM 442 NE2 GLN P 27 -1.591 5.555 22.288 1.00 1.00 N ATOM 0 H GLN P 27 -5.058 3.419 20.770 1.00 1.00 H new ATOM 0 HA GLN P 27 -3.935 3.607 18.182 1.00 1.00 H new ATOM 0 HB2 GLN P 27 -2.885 2.574 20.867 1.00 1.00 H new ATOM 0 HB3 GLN P 27 -1.865 2.766 19.455 1.00 1.00 H new ATOM 0 HG2 GLN P 27 -2.447 5.192 19.340 1.00 1.00 H new ATOM 0 HG3 GLN P 27 -3.520 5.014 20.714 1.00 1.00 H new ATOM 0 HE21 GLN P 27 -2.500 5.971 22.491 1.00 1.00 H new ATOM 0 HE22 GLN P 27 -0.810 5.698 22.928 1.00 1.00 H new ATOM 451 N ASN P 28 -4.561 0.571 19.249 1.00 1.00 N ATOM 452 CA ASN P 28 -4.577 -0.818 18.793 1.00 2.20 C ATOM 453 C ASN P 28 -5.287 -0.960 17.449 1.00 1.00 C ATOM 454 O ASN P 28 -4.734 -1.527 16.501 1.00 1.00 O ATOM 455 CB ASN P 28 -5.267 -1.705 19.830 1.00 1.00 C ATOM 456 CG ASN P 28 -4.410 -1.816 21.092 1.00 1.00 C ATOM 457 OD1 ASN P 28 -4.945 -1.937 22.194 1.00 1.00 O ATOM 458 ND2 ASN P 28 -3.105 -1.784 21.002 1.00 1.00 N ATOM 0 H ASN P 28 -5.021 0.741 20.143 1.00 1.00 H new ATOM 0 HA ASN P 28 -3.542 -1.135 18.668 1.00 2.20 H new ATOM 0 HB2 ASN P 28 -6.243 -1.290 20.081 1.00 1.00 H new ATOM 0 HB3 ASN P 28 -5.440 -2.697 19.412 1.00 1.00 H new ATOM 0 HD21 ASN P 28 -2.534 -1.859 21.844 1.00 1.00 H new ATOM 0 HD22 ASN P 28 -2.659 -1.684 20.090 1.00 1.00 H new ATOM 465 N LEU P 29 -6.504 -0.449 17.370 1.00 1.00 N ATOM 466 CA LEU P 29 -7.268 -0.531 16.138 1.00 2.25 C ATOM 467 C LEU P 29 -6.636 0.346 15.075 1.00 1.00 C ATOM 468 O LEU P 29 -6.602 -0.019 13.898 1.00 1.00 O ATOM 469 CB LEU P 29 -8.724 -0.100 16.351 1.00 1.00 C ATOM 470 CG LEU P 29 -9.427 -1.062 17.324 1.00 1.00 C ATOM 471 CD1 LEU P 29 -10.834 -0.534 17.621 1.00 1.00 C ATOM 472 CD2 LEU P 29 -9.526 -2.484 16.715 1.00 1.00 C ATOM 0 H LEU P 29 -6.981 0.023 18.138 1.00 1.00 H new ATOM 0 HA LEU P 29 -7.261 -1.571 15.813 1.00 2.25 H new ATOM 0 HB2 LEU P 29 -8.756 0.915 16.746 1.00 1.00 H new ATOM 0 HB3 LEU P 29 -9.250 -0.088 15.397 1.00 1.00 H new ATOM 0 HG LEU P 29 -8.846 -1.120 18.244 1.00 1.00 H new ATOM 0 HD11 LEU P 29 -11.339 -1.211 18.310 1.00 1.00 H new ATOM 0 HD12 LEU P 29 -10.764 0.456 18.071 1.00 1.00 H new ATOM 0 HD13 LEU P 29 -11.402 -0.471 16.693 1.00 1.00 H new ATOM 0 HD21 LEU P 29 -10.026 -3.148 17.420 1.00 1.00 H new ATOM 0 HD22 LEU P 29 -10.097 -2.444 15.787 1.00 1.00 H new ATOM 0 HD23 LEU P 29 -8.525 -2.862 16.509 1.00 1.00 H new ATOM 484 N GLN P 30 -6.129 1.505 15.485 1.00 1.00 N ATOM 485 CA GLN P 30 -5.503 2.408 14.542 1.00 2.78 C ATOM 486 C GLN P 30 -4.149 1.876 14.098 1.00 1.00 C ATOM 487 O GLN P 30 -3.721 2.140 12.982 1.00 1.00 O ATOM 488 CB GLN P 30 -5.338 3.800 15.153 1.00 1.00 C ATOM 489 CG GLN P 30 -6.709 4.466 15.295 1.00 1.00 C ATOM 490 CD GLN P 30 -6.560 5.824 15.980 1.00 1.00 C ATOM 491 OE1 GLN P 30 -7.156 6.057 17.032 1.00 1.00 O ATOM 492 NE2 GLN P 30 -5.797 6.739 15.446 1.00 1.00 N ATOM 0 H GLN P 30 -6.141 1.832 16.451 1.00 1.00 H new ATOM 0 HA GLN P 30 -6.153 2.480 13.670 1.00 2.78 H new ATOM 0 HB2 GLN P 30 -4.856 3.725 16.128 1.00 1.00 H new ATOM 0 HB3 GLN P 30 -4.690 4.410 14.523 1.00 1.00 H new ATOM 0 HG2 GLN P 30 -7.165 4.593 14.313 1.00 1.00 H new ATOM 0 HG3 GLN P 30 -7.375 3.827 15.876 1.00 1.00 H new ATOM 0 HE21 GLN P 30 -5.303 6.546 14.575 1.00 1.00 H new ATOM 0 HE22 GLN P 30 -5.695 7.647 15.900 1.00 1.00 H new ATOM 501 N ASN P 31 -3.473 1.123 14.965 1.00 1.00 N ATOM 502 CA ASN P 31 -2.164 0.575 14.606 1.00 2.31 C ATOM 503 C ASN P 31 -2.308 -0.383 13.444 1.00 1.00 C ATOM 504 O ASN P 31 -1.506 -0.379 12.519 1.00 1.00 O ATOM 505 CB ASN P 31 -1.526 -0.149 15.794 1.00 1.00 C ATOM 506 CG ASN P 31 -0.202 -0.774 15.367 1.00 1.00 C ATOM 507 OD1 ASN P 31 0.453 -0.276 14.453 1.00 1.00 O ATOM 508 ND2 ASN P 31 0.234 -1.841 15.976 1.00 1.00 N ATOM 0 H ASN P 31 -3.800 0.882 15.901 1.00 1.00 H new ATOM 0 HA ASN P 31 -1.516 1.403 14.319 1.00 2.31 H new ATOM 0 HB2 ASN P 31 -1.361 0.552 16.613 1.00 1.00 H new ATOM 0 HB3 ASN P 31 -2.200 -0.921 16.166 1.00 1.00 H new ATOM 0 HD21 ASN P 31 1.119 -2.263 15.695 1.00 1.00 H new ATOM 0 HD22 ASN P 31 -0.310 -2.254 16.734 1.00 1.00 H new ATOM 515 N LEU P 32 -3.338 -1.204 13.502 1.00 1.00 N ATOM 516 CA LEU P 32 -3.581 -2.162 12.450 1.00 2.30 C ATOM 517 C LEU P 32 -3.853 -1.400 11.171 1.00 1.00 C ATOM 518 O LEU P 32 -3.348 -1.745 10.115 1.00 1.00 O ATOM 519 CB LEU P 32 -4.776 -3.056 12.801 1.00 1.00 C ATOM 520 CG LEU P 32 -4.447 -3.945 14.008 1.00 1.00 C ATOM 521 CD1 LEU P 32 -5.711 -4.697 14.442 1.00 1.00 C ATOM 522 CD2 LEU P 32 -3.331 -4.960 13.654 1.00 1.00 C ATOM 0 H LEU P 32 -4.015 -1.225 14.264 1.00 1.00 H new ATOM 0 HA LEU P 32 -2.710 -2.805 12.326 1.00 2.30 H new ATOM 0 HB2 LEU P 32 -5.646 -2.439 13.023 1.00 1.00 H new ATOM 0 HB3 LEU P 32 -5.036 -3.678 11.944 1.00 1.00 H new ATOM 0 HG LEU P 32 -4.092 -3.314 14.823 1.00 1.00 H new ATOM 0 HD11 LEU P 32 -5.482 -5.330 15.299 1.00 1.00 H new ATOM 0 HD12 LEU P 32 -6.485 -3.980 14.717 1.00 1.00 H new ATOM 0 HD13 LEU P 32 -6.067 -5.316 13.619 1.00 1.00 H new ATOM 0 HD21 LEU P 32 -3.114 -5.580 14.524 1.00 1.00 H new ATOM 0 HD22 LEU P 32 -3.663 -5.593 12.831 1.00 1.00 H new ATOM 0 HD23 LEU P 32 -2.430 -4.422 13.358 1.00 1.00 H new ATOM 534 N PHE P 33 -4.655 -0.353 11.287 1.00 1.00 N ATOM 535 CA PHE P 33 -4.990 0.470 10.133 1.00 2.56 C ATOM 536 C PHE P 33 -3.728 1.133 9.588 1.00 1.00 C ATOM 537 O PHE P 33 -3.457 1.090 8.388 1.00 1.00 O ATOM 538 CB PHE P 33 -6.013 1.533 10.539 1.00 1.00 C ATOM 539 CG PHE P 33 -6.446 2.319 9.321 1.00 1.00 C ATOM 540 CD1 PHE P 33 -7.361 1.762 8.421 1.00 1.00 C ATOM 541 CD2 PHE P 33 -5.932 3.603 9.092 1.00 1.00 C ATOM 542 CE1 PHE P 33 -7.764 2.488 7.294 1.00 1.00 C ATOM 543 CE2 PHE P 33 -6.336 4.328 7.965 1.00 1.00 C ATOM 544 CZ PHE P 33 -7.251 3.772 7.066 1.00 1.00 C ATOM 0 H PHE P 33 -5.084 -0.053 12.162 1.00 1.00 H new ATOM 0 HA PHE P 33 -5.422 -0.158 9.354 1.00 2.56 H new ATOM 0 HB2 PHE P 33 -6.878 1.060 11.004 1.00 1.00 H new ATOM 0 HB3 PHE P 33 -5.579 2.204 11.281 1.00 1.00 H new ATOM 0 HD1 PHE P 33 -7.756 0.772 8.596 1.00 1.00 H new ATOM 0 HD2 PHE P 33 -5.224 4.033 9.785 1.00 1.00 H new ATOM 0 HE1 PHE P 33 -8.471 2.058 6.600 1.00 1.00 H new ATOM 0 HE2 PHE P 33 -5.941 5.318 7.790 1.00 1.00 H new ATOM 0 HZ PHE P 33 -7.562 4.332 6.196 1.00 1.00 H new ATOM 554 N ILE P 34 -2.961 1.744 10.488 1.00 1.00 N ATOM 555 CA ILE P 34 -1.725 2.414 10.091 1.00 2.55 C ATOM 556 C ILE P 34 -0.724 1.399 9.544 1.00 1.00 C ATOM 557 O ILE P 34 -0.119 1.617 8.495 1.00 1.00 O ATOM 558 CB ILE P 34 -1.118 3.163 11.284 1.00 1.00 C ATOM 559 CG1 ILE P 34 -2.034 4.333 11.661 1.00 1.00 C ATOM 560 CG2 ILE P 34 0.263 3.718 10.908 1.00 1.00 C ATOM 561 CD1 ILE P 34 -1.621 4.892 13.023 1.00 1.00 C ATOM 0 H ILE P 34 -3.170 1.789 11.485 1.00 1.00 H new ATOM 0 HA ILE P 34 -1.958 3.134 9.307 1.00 2.55 H new ATOM 0 HB ILE P 34 -1.017 2.475 12.124 1.00 1.00 H new ATOM 0 HG12 ILE P 34 -1.973 5.114 10.903 1.00 1.00 H new ATOM 0 HG13 ILE P 34 -3.071 4.000 11.693 1.00 1.00 H new ATOM 0 HG21 ILE P 34 0.687 4.248 11.761 1.00 1.00 H new ATOM 0 HG22 ILE P 34 0.922 2.896 10.628 1.00 1.00 H new ATOM 0 HG23 ILE P 34 0.163 4.405 10.067 1.00 1.00 H new ATOM 0 HD11 ILE P 34 -2.274 5.724 13.288 1.00 1.00 H new ATOM 0 HD12 ILE P 34 -1.705 4.110 13.778 1.00 1.00 H new ATOM 0 HD13 ILE P 34 -0.590 5.241 12.975 1.00 1.00 H new ATOM 573 N ASN P 35 -0.553 0.288 10.255 1.00 1.00 N ATOM 574 CA ASN P 35 0.375 -0.737 9.815 1.00 2.46 C ATOM 575 C ASN P 35 -0.141 -1.320 8.521 1.00 1.00 C ATOM 576 O ASN P 35 0.609 -1.550 7.575 1.00 1.00 O ATOM 577 CB ASN P 35 0.506 -1.834 10.875 1.00 1.00 C ATOM 578 CG ASN P 35 1.496 -2.896 10.405 1.00 1.00 C ATOM 579 OD1 ASN P 35 1.649 -3.114 9.202 1.00 1.00 O ATOM 580 ND2 ASN P 35 2.182 -3.572 11.282 1.00 1.00 N ATOM 0 H ASN P 35 -1.040 0.080 11.127 1.00 1.00 H new ATOM 0 HA ASN P 35 1.362 -0.300 9.662 1.00 2.46 H new ATOM 0 HB2 ASN P 35 0.843 -1.402 11.818 1.00 1.00 H new ATOM 0 HB3 ASN P 35 -0.467 -2.289 11.062 1.00 1.00 H new ATOM 0 HD21 ASN P 35 2.846 -4.282 10.973 1.00 1.00 H new ATOM 0 HD22 ASN P 35 2.055 -3.391 12.278 1.00 1.00 H new ATOM 587 N PHE P 36 -1.441 -1.556 8.497 1.00 1.00 N ATOM 588 CA PHE P 36 -2.073 -2.118 7.313 1.00 2.38 C ATOM 589 C PHE P 36 -1.951 -1.171 6.121 1.00 1.00 C ATOM 590 O PHE P 36 -1.922 -1.612 4.970 1.00 1.00 O ATOM 591 CB PHE P 36 -3.552 -2.440 7.567 1.00 1.00 C ATOM 592 CG PHE P 36 -4.196 -2.942 6.288 1.00 1.00 C ATOM 593 CD1 PHE P 36 -3.956 -4.251 5.852 1.00 1.00 C ATOM 594 CD2 PHE P 36 -5.031 -2.098 5.541 1.00 1.00 C ATOM 595 CE1 PHE P 36 -4.552 -4.716 4.671 1.00 1.00 C ATOM 596 CE2 PHE P 36 -5.623 -2.563 4.361 1.00 1.00 C ATOM 597 CZ PHE P 36 -5.387 -3.872 3.925 1.00 1.00 C ATOM 0 H PHE P 36 -2.075 -1.370 9.274 1.00 1.00 H new ATOM 0 HA PHE P 36 -1.550 -3.046 7.082 1.00 2.38 H new ATOM 0 HB2 PHE P 36 -3.640 -3.194 8.350 1.00 1.00 H new ATOM 0 HB3 PHE P 36 -4.072 -1.550 7.922 1.00 1.00 H new ATOM 0 HD1 PHE P 36 -3.312 -4.902 6.425 1.00 1.00 H new ATOM 0 HD2 PHE P 36 -5.217 -1.089 5.877 1.00 1.00 H new ATOM 0 HE1 PHE P 36 -4.368 -5.726 4.335 1.00 1.00 H new ATOM 0 HE2 PHE P 36 -6.263 -1.911 3.786 1.00 1.00 H new ATOM 0 HZ PHE P 36 -5.847 -4.231 3.016 1.00 1.00 H new ATOM 607 N ALA P 37 -1.867 0.129 6.387 1.00 1.00 N ATOM 608 CA ALA P 37 -1.734 1.110 5.314 1.00 1.94 C ATOM 609 C ALA P 37 -0.306 1.119 4.773 1.00 1.00 C ATOM 610 O ALA P 37 -0.084 1.226 3.572 1.00 1.00 O ATOM 611 CB ALA P 37 -2.093 2.503 5.828 1.00 1.00 C ATOM 0 H ALA P 37 -1.888 0.525 7.327 1.00 1.00 H new ATOM 0 HA ALA P 37 -2.417 0.834 4.510 1.00 1.94 H new ATOM 0 HB1 ALA P 37 -1.990 3.227 5.019 1.00 1.00 H new ATOM 0 HB2 ALA P 37 -3.122 2.504 6.188 1.00 1.00 H new ATOM 0 HB3 ALA P 37 -1.423 2.773 6.644 1.00 1.00 H new ATOM 617 N LEU P 38 0.659 1.005 5.681 1.00 1.00 N ATOM 618 CA LEU P 38 2.069 1.003 5.307 1.00 2.16 C ATOM 619 C LEU P 38 2.364 -0.186 4.391 1.00 1.00 C ATOM 620 O LEU P 38 3.092 -0.050 3.412 1.00 1.00 O ATOM 621 CB LEU P 38 2.930 0.950 6.582 1.00 1.00 C ATOM 622 CG LEU P 38 3.233 2.369 7.160 1.00 1.00 C ATOM 623 CD1 LEU P 38 4.524 2.930 6.551 1.00 1.00 C ATOM 624 CD2 LEU P 38 2.084 3.385 6.914 1.00 1.00 C ATOM 0 H LEU P 38 0.489 0.913 6.683 1.00 1.00 H new ATOM 0 HA LEU P 38 2.310 1.915 4.760 1.00 2.16 H new ATOM 0 HB2 LEU P 38 2.417 0.355 7.338 1.00 1.00 H new ATOM 0 HB3 LEU P 38 3.869 0.443 6.361 1.00 1.00 H new ATOM 0 HG LEU P 38 3.340 2.239 8.237 1.00 1.00 H new ATOM 0 HD11 LEU P 38 4.721 3.919 6.964 1.00 1.00 H new ATOM 0 HD12 LEU P 38 5.356 2.266 6.786 1.00 1.00 H new ATOM 0 HD13 LEU P 38 4.414 3.004 5.469 1.00 1.00 H new ATOM 0 HD21 LEU P 38 2.356 4.351 7.339 1.00 1.00 H new ATOM 0 HD22 LEU P 38 1.918 3.494 5.842 1.00 1.00 H new ATOM 0 HD23 LEU P 38 1.171 3.024 7.388 1.00 1.00 H new ATOM 636 N ILE P 39 1.798 -1.342 4.701 1.00 1.00 N ATOM 637 CA ILE P 39 2.026 -2.512 3.868 1.00 2.79 C ATOM 638 C ILE P 39 1.442 -2.222 2.490 1.00 1.00 C ATOM 639 O ILE P 39 2.047 -2.504 1.464 1.00 1.00 O ATOM 640 CB ILE P 39 1.352 -3.739 4.491 1.00 1.00 C ATOM 641 CG1 ILE P 39 2.066 -4.096 5.799 1.00 1.00 C ATOM 642 CG2 ILE P 39 1.443 -4.930 3.533 1.00 1.00 C ATOM 643 CD1 ILE P 39 1.233 -5.121 6.570 1.00 1.00 C ATOM 0 H ILE P 39 1.190 -1.494 5.506 1.00 1.00 H new ATOM 0 HA ILE P 39 3.092 -2.723 3.786 1.00 2.79 H new ATOM 0 HB ILE P 39 0.304 -3.511 4.685 1.00 1.00 H new ATOM 0 HG12 ILE P 39 3.056 -4.501 5.587 1.00 1.00 H new ATOM 0 HG13 ILE P 39 2.211 -3.200 6.403 1.00 1.00 H new ATOM 0 HG21 ILE P 39 0.961 -5.798 3.984 1.00 1.00 H new ATOM 0 HG22 ILE P 39 0.942 -4.683 2.597 1.00 1.00 H new ATOM 0 HG23 ILE P 39 2.490 -5.159 3.335 1.00 1.00 H new ATOM 0 HD11 ILE P 39 1.740 -5.376 7.501 1.00 1.00 H new ATOM 0 HD12 ILE P 39 0.253 -4.699 6.794 1.00 1.00 H new ATOM 0 HD13 ILE P 39 1.111 -6.020 5.965 1.00 1.00 H new ATOM 655 N LEU P 40 0.250 -1.643 2.492 1.00 1.00 N ATOM 656 CA LEU P 40 -0.421 -1.305 1.242 1.00 2.47 C ATOM 657 C LEU P 40 0.430 -0.297 0.467 1.00 1.00 C ATOM 658 O LEU P 40 0.730 -0.489 -0.707 1.00 1.00 O ATOM 659 CB LEU P 40 -1.796 -0.699 1.545 1.00 1.00 C ATOM 660 CG LEU P 40 -2.577 -0.416 0.246 1.00 1.00 C ATOM 661 CD1 LEU P 40 -3.016 -1.732 -0.426 1.00 1.00 C ATOM 662 CD2 LEU P 40 -3.813 0.419 0.597 1.00 1.00 C ATOM 0 H LEU P 40 -0.269 -1.399 3.335 1.00 1.00 H new ATOM 0 HA LEU P 40 -0.552 -2.205 0.642 1.00 2.47 H new ATOM 0 HB2 LEU P 40 -2.367 -1.382 2.175 1.00 1.00 H new ATOM 0 HB3 LEU P 40 -1.673 0.226 2.108 1.00 1.00 H new ATOM 0 HG LEU P 40 -1.936 0.124 -0.451 1.00 1.00 H new ATOM 0 HD11 LEU P 40 -3.565 -1.508 -1.340 1.00 1.00 H new ATOM 0 HD12 LEU P 40 -2.136 -2.328 -0.668 1.00 1.00 H new ATOM 0 HD13 LEU P 40 -3.658 -2.292 0.255 1.00 1.00 H new ATOM 0 HD21 LEU P 40 -4.379 0.630 -0.310 1.00 1.00 H new ATOM 0 HD22 LEU P 40 -4.440 -0.135 1.296 1.00 1.00 H new ATOM 0 HD23 LEU P 40 -3.500 1.357 1.056 1.00 1.00 H new ATOM 674 N ILE P 41 0.798 0.780 1.142 1.00 1.00 N ATOM 675 CA ILE P 41 1.598 1.825 0.527 1.00 1.93 C ATOM 676 C ILE P 41 2.972 1.300 0.078 1.00 1.00 C ATOM 677 O ILE P 41 3.409 1.600 -1.032 1.00 1.00 O ATOM 678 CB ILE P 41 1.747 2.997 1.514 1.00 1.00 C ATOM 679 CG1 ILE P 41 0.390 3.720 1.711 1.00 1.00 C ATOM 680 CG2 ILE P 41 2.793 3.990 1.019 1.00 1.00 C ATOM 681 CD1 ILE P 41 -0.157 4.313 0.395 1.00 1.00 C ATOM 0 H ILE P 41 0.555 0.953 2.117 1.00 1.00 H new ATOM 0 HA ILE P 41 1.087 2.173 -0.371 1.00 1.93 H new ATOM 0 HB ILE P 41 2.074 2.590 2.471 1.00 1.00 H new ATOM 0 HG12 ILE P 41 -0.337 3.018 2.120 1.00 1.00 H new ATOM 0 HG13 ILE P 41 0.509 4.518 2.444 1.00 1.00 H new ATOM 0 HG21 ILE P 41 2.882 4.810 1.732 1.00 1.00 H new ATOM 0 HG22 ILE P 41 3.755 3.487 0.922 1.00 1.00 H new ATOM 0 HG23 ILE P 41 2.490 4.384 0.049 1.00 1.00 H new ATOM 0 HD11 ILE P 41 -1.109 4.808 0.587 1.00 1.00 H new ATOM 0 HD12 ILE P 41 0.555 5.037 -0.002 1.00 1.00 H new ATOM 0 HD13 ILE P 41 -0.304 3.513 -0.331 1.00 1.00 H new ATOM 693 N PHE P 42 3.657 0.532 0.921 1.00 1.00 N ATOM 694 CA PHE P 42 4.975 0.014 0.547 1.00 2.47 C ATOM 695 C PHE P 42 4.917 -0.798 -0.753 1.00 1.00 C ATOM 696 O PHE P 42 5.677 -0.540 -1.681 1.00 1.00 O ATOM 697 CB PHE P 42 5.528 -0.862 1.673 1.00 1.00 C ATOM 698 CG PHE P 42 6.952 -1.249 1.357 1.00 1.00 C ATOM 699 CD1 PHE P 42 7.972 -0.300 1.486 1.00 1.00 C ATOM 700 CD2 PHE P 42 7.256 -2.549 0.936 1.00 1.00 C ATOM 701 CE1 PHE P 42 9.294 -0.649 1.196 1.00 1.00 C ATOM 702 CE2 PHE P 42 8.578 -2.900 0.646 1.00 1.00 C ATOM 703 CZ PHE P 42 9.598 -1.950 0.776 1.00 1.00 C ATOM 0 H PHE P 42 3.333 0.258 1.848 1.00 1.00 H new ATOM 0 HA PHE P 42 5.632 0.868 0.383 1.00 2.47 H new ATOM 0 HB2 PHE P 42 5.488 -0.324 2.620 1.00 1.00 H new ATOM 0 HB3 PHE P 42 4.914 -1.755 1.788 1.00 1.00 H new ATOM 0 HD1 PHE P 42 7.738 0.703 1.810 1.00 1.00 H new ATOM 0 HD2 PHE P 42 6.469 -3.281 0.835 1.00 1.00 H new ATOM 0 HE1 PHE P 42 10.081 0.084 1.296 1.00 1.00 H new ATOM 0 HE2 PHE P 42 8.812 -3.903 0.322 1.00 1.00 H new ATOM 0 HZ PHE P 42 10.619 -2.220 0.552 1.00 1.00 H new ATOM 713 N LEU P 43 4.021 -1.776 -0.818 1.00 1.00 N ATOM 714 CA LEU P 43 3.892 -2.611 -2.013 1.00 2.64 C ATOM 715 C LEU P 43 3.461 -1.766 -3.214 1.00 1.00 C ATOM 716 O LEU P 43 3.941 -1.969 -4.329 1.00 1.00 O ATOM 717 CB LEU P 43 2.872 -3.752 -1.762 1.00 1.00 C ATOM 718 CG LEU P 43 3.516 -4.933 -0.993 1.00 1.00 C ATOM 719 CD1 LEU P 43 3.547 -4.644 0.510 1.00 1.00 C ATOM 720 CD2 LEU P 43 2.693 -6.212 -1.228 1.00 1.00 C ATOM 0 H LEU P 43 3.376 -2.012 -0.064 1.00 1.00 H new ATOM 0 HA LEU P 43 4.864 -3.053 -2.234 1.00 2.64 H new ATOM 0 HB2 LEU P 43 2.025 -3.366 -1.194 1.00 1.00 H new ATOM 0 HB3 LEU P 43 2.481 -4.108 -2.715 1.00 1.00 H new ATOM 0 HG LEU P 43 4.535 -5.064 -1.358 1.00 1.00 H new ATOM 0 HD11 LEU P 43 4.003 -5.485 1.033 1.00 1.00 H new ATOM 0 HD12 LEU P 43 4.131 -3.742 0.695 1.00 1.00 H new ATOM 0 HD13 LEU P 43 2.530 -4.499 0.874 1.00 1.00 H new ATOM 0 HD21 LEU P 43 3.147 -7.042 -0.686 1.00 1.00 H new ATOM 0 HD22 LEU P 43 1.674 -6.060 -0.871 1.00 1.00 H new ATOM 0 HD23 LEU P 43 2.673 -6.441 -2.293 1.00 1.00 H new ATOM 732 N LEU P 44 2.565 -0.825 -2.979 1.00 1.00 N ATOM 733 CA LEU P 44 2.085 0.041 -4.037 1.00 2.13 C ATOM 734 C LEU P 44 3.239 0.900 -4.557 1.00 1.00 C ATOM 735 O LEU P 44 3.334 1.160 -5.755 1.00 1.00 O ATOM 736 CB LEU P 44 0.937 0.918 -3.498 1.00 1.00 C ATOM 737 CG LEU P 44 -0.461 0.212 -3.575 1.00 1.00 C ATOM 738 CD1 LEU P 44 -1.153 0.545 -4.900 1.00 1.00 C ATOM 739 CD2 LEU P 44 -0.378 -1.332 -3.448 1.00 1.00 C ATOM 0 H LEU P 44 2.155 -0.642 -2.063 1.00 1.00 H new ATOM 0 HA LEU P 44 1.703 -0.556 -4.865 1.00 2.13 H new ATOM 0 HB2 LEU P 44 1.147 1.185 -2.462 1.00 1.00 H new ATOM 0 HB3 LEU P 44 0.900 1.848 -4.066 1.00 1.00 H new ATOM 0 HG LEU P 44 -1.031 0.591 -2.726 1.00 1.00 H new ATOM 0 HD11 LEU P 44 -2.122 0.048 -4.939 1.00 1.00 H new ATOM 0 HD12 LEU P 44 -1.295 1.623 -4.976 1.00 1.00 H new ATOM 0 HD13 LEU P 44 -0.535 0.201 -5.730 1.00 1.00 H new ATOM 0 HD21 LEU P 44 -1.380 -1.757 -3.509 1.00 1.00 H new ATOM 0 HD22 LEU P 44 0.235 -1.731 -4.256 1.00 1.00 H new ATOM 0 HD23 LEU P 44 0.069 -1.595 -2.489 1.00 1.00 H new ATOM 751 N LEU P 45 4.113 1.338 -3.651 1.00 1.00 N ATOM 752 CA LEU P 45 5.248 2.163 -4.047 1.00 2.33 C ATOM 753 C LEU P 45 6.164 1.388 -4.988 1.00 1.00 C ATOM 754 O LEU P 45 6.673 1.935 -5.963 1.00 1.00 O ATOM 755 CB LEU P 45 6.035 2.632 -2.807 1.00 1.00 C ATOM 756 CG LEU P 45 5.311 3.799 -2.107 1.00 1.00 C ATOM 757 CD1 LEU P 45 5.914 3.993 -0.710 1.00 1.00 C ATOM 758 CD2 LEU P 45 5.469 5.110 -2.919 1.00 1.00 C ATOM 0 H LEU P 45 4.057 1.138 -2.652 1.00 1.00 H new ATOM 0 HA LEU P 45 4.869 3.041 -4.570 1.00 2.33 H new ATOM 0 HB2 LEU P 45 6.153 1.802 -2.111 1.00 1.00 H new ATOM 0 HB3 LEU P 45 7.036 2.945 -3.103 1.00 1.00 H new ATOM 0 HG LEU P 45 4.250 3.562 -2.033 1.00 1.00 H new ATOM 0 HD11 LEU P 45 5.408 4.817 -0.207 1.00 1.00 H new ATOM 0 HD12 LEU P 45 5.787 3.080 -0.129 1.00 1.00 H new ATOM 0 HD13 LEU P 45 6.976 4.221 -0.801 1.00 1.00 H new ATOM 0 HD21 LEU P 45 4.950 5.920 -2.407 1.00 1.00 H new ATOM 0 HD22 LEU P 45 6.527 5.357 -3.010 1.00 1.00 H new ATOM 0 HD23 LEU P 45 5.041 4.976 -3.913 1.00 1.00 H new ATOM 770 N ILE P 46 6.359 0.115 -4.692 1.00 1.00 N ATOM 771 CA ILE P 46 7.203 -0.725 -5.515 1.00 2.07 C ATOM 772 C ILE P 46 6.583 -0.849 -6.905 1.00 1.00 C ATOM 773 O ILE P 46 7.272 -0.763 -7.919 1.00 1.00 O ATOM 774 CB ILE P 46 7.347 -2.089 -4.845 1.00 1.00 C ATOM 775 CG1 ILE P 46 8.177 -1.928 -3.568 1.00 1.00 C ATOM 776 CG2 ILE P 46 8.045 -3.060 -5.790 1.00 1.00 C ATOM 777 CD1 ILE P 46 8.133 -3.218 -2.740 1.00 1.00 C ATOM 0 H ILE P 46 5.944 -0.357 -3.889 1.00 1.00 H new ATOM 0 HA ILE P 46 8.195 -0.287 -5.623 1.00 2.07 H new ATOM 0 HB ILE P 46 6.361 -2.483 -4.600 1.00 1.00 H new ATOM 0 HG12 ILE P 46 9.209 -1.687 -3.824 1.00 1.00 H new ATOM 0 HG13 ILE P 46 7.792 -1.096 -2.978 1.00 1.00 H new ATOM 0 HG21 ILE P 46 8.144 -4.031 -5.305 1.00 1.00 H new ATOM 0 HG22 ILE P 46 7.456 -3.168 -6.701 1.00 1.00 H new ATOM 0 HG23 ILE P 46 9.034 -2.676 -6.040 1.00 1.00 H new ATOM 0 HD11 ILE P 46 8.727 -3.090 -1.835 1.00 1.00 H new ATOM 0 HD12 ILE P 46 7.101 -3.441 -2.468 1.00 1.00 H new ATOM 0 HD13 ILE P 46 8.539 -4.041 -3.327 1.00 1.00 H new ATOM 789 N ALA P 47 5.272 -1.046 -6.932 1.00 1.00 N ATOM 790 CA ALA P 47 4.560 -1.175 -8.197 1.00 2.11 C ATOM 791 C ALA P 47 4.832 0.054 -9.061 1.00 1.00 C ATOM 792 O ALA P 47 5.129 -0.054 -10.250 1.00 1.00 O ATOM 793 CB ALA P 47 3.059 -1.305 -7.948 1.00 1.00 C ATOM 0 H ALA P 47 4.684 -1.119 -6.102 1.00 1.00 H new ATOM 0 HA ALA P 47 4.910 -2.070 -8.712 1.00 2.11 H new ATOM 0 HB1 ALA P 47 2.539 -1.401 -8.901 1.00 1.00 H new ATOM 0 HB2 ALA P 47 2.866 -2.188 -7.339 1.00 1.00 H new ATOM 0 HB3 ALA P 47 2.699 -0.419 -7.426 1.00 1.00 H new ATOM 799 N ILE P 48 4.724 1.226 -8.445 1.00 1.00 N ATOM 800 CA ILE P 48 4.955 2.481 -9.154 1.00 3.09 C ATOM 801 C ILE P 48 6.400 2.558 -9.650 1.00 1.00 C ATOM 802 O ILE P 48 6.659 2.960 -10.788 1.00 1.00 O ATOM 803 CB ILE P 48 4.659 3.664 -8.224 1.00 1.00 C ATOM 804 CG1 ILE P 48 3.164 3.686 -7.905 1.00 1.00 C ATOM 805 CG2 ILE P 48 5.046 4.976 -8.914 1.00 1.00 C ATOM 806 CD1 ILE P 48 2.891 4.681 -6.776 1.00 1.00 C ATOM 0 H ILE P 48 4.479 1.334 -7.461 1.00 1.00 H new ATOM 0 HA ILE P 48 4.289 2.524 -10.016 1.00 3.09 H new ATOM 0 HB ILE P 48 5.236 3.556 -7.305 1.00 1.00 H new ATOM 0 HG12 ILE P 48 2.597 3.965 -8.793 1.00 1.00 H new ATOM 0 HG13 ILE P 48 2.830 2.690 -7.613 1.00 1.00 H new ATOM 0 HG21 ILE P 48 4.834 5.813 -8.249 1.00 1.00 H new ATOM 0 HG22 ILE P 48 6.110 4.962 -9.152 1.00 1.00 H new ATOM 0 HG23 ILE P 48 4.470 5.087 -9.833 1.00 1.00 H new ATOM 0 HD11 ILE P 48 1.824 4.693 -6.552 1.00 1.00 H new ATOM 0 HD12 ILE P 48 3.445 4.383 -5.886 1.00 1.00 H new ATOM 0 HD13 ILE P 48 3.209 5.677 -7.084 1.00 1.00 H new ATOM 818 N ILE P 49 7.336 2.168 -8.790 1.00 1.00 N ATOM 819 CA ILE P 49 8.748 2.194 -9.149 1.00 1.00 C ATOM 820 C ILE P 49 9.013 1.226 -10.289 1.00 1.00 C ATOM 821 O ILE P 49 9.712 1.551 -11.248 1.00 1.00 O ATOM 822 CB ILE P 49 9.593 1.816 -7.932 1.00 1.00 C ATOM 823 CG1 ILE P 49 9.499 2.927 -6.880 1.00 1.00 C ATOM 824 CG2 ILE P 49 11.066 1.631 -8.333 1.00 1.00 C ATOM 825 CD1 ILE P 49 10.065 2.420 -5.549 1.00 1.00 C ATOM 0 H ILE P 49 7.143 1.833 -7.846 1.00 1.00 H new ATOM 0 HA ILE P 49 9.017 3.199 -9.474 1.00 1.00 H new ATOM 0 HB ILE P 49 9.214 0.879 -7.524 1.00 1.00 H new ATOM 0 HG12 ILE P 49 10.053 3.805 -7.212 1.00 1.00 H new ATOM 0 HG13 ILE P 49 8.461 3.235 -6.752 1.00 1.00 H new ATOM 0 HG21 ILE P 49 11.651 1.362 -7.454 1.00 1.00 H new ATOM 0 HG22 ILE P 49 11.144 0.838 -9.077 1.00 1.00 H new ATOM 0 HG23 ILE P 49 11.448 2.561 -8.753 1.00 1.00 H new ATOM 0 HD11 ILE P 49 9.998 3.210 -4.801 1.00 1.00 H new ATOM 0 HD12 ILE P 49 9.492 1.555 -5.216 1.00 1.00 H new ATOM 0 HD13 ILE P 49 11.108 2.134 -5.683 1.00 1.00 H new ATOM 837 N VAL P 50 8.442 0.038 -10.175 1.00 1.00 N ATOM 838 CA VAL P 50 8.614 -0.978 -11.200 1.00 1.00 C ATOM 839 C VAL P 50 8.007 -0.478 -12.497 1.00 1.00 C ATOM 840 O VAL P 50 8.619 -0.579 -13.559 1.00 1.00 O ATOM 841 CB VAL P 50 7.939 -2.282 -10.762 1.00 1.00 C ATOM 842 CG1 VAL P 50 7.939 -3.290 -11.918 1.00 1.00 C ATOM 843 CG2 VAL P 50 8.707 -2.877 -9.576 1.00 1.00 C ATOM 0 H VAL P 50 7.859 -0.245 -9.388 1.00 1.00 H new ATOM 0 HA VAL P 50 9.675 -1.175 -11.351 1.00 1.00 H new ATOM 0 HB VAL P 50 6.910 -2.070 -10.471 1.00 1.00 H new ATOM 0 HG11 VAL P 50 7.457 -4.213 -11.596 1.00 1.00 H new ATOM 0 HG12 VAL P 50 7.394 -2.873 -12.765 1.00 1.00 H new ATOM 0 HG13 VAL P 50 8.966 -3.502 -12.216 1.00 1.00 H new ATOM 0 HG21 VAL P 50 8.229 -3.805 -9.262 1.00 1.00 H new ATOM 0 HG22 VAL P 50 9.735 -3.081 -9.874 1.00 1.00 H new ATOM 0 HG23 VAL P 50 8.703 -2.168 -8.748 1.00 1.00 H new ATOM 853 N MET P 51 6.798 0.063 -12.400 1.00 1.00 N ATOM 854 CA MET P 51 6.109 0.579 -13.569 1.00 1.00 C ATOM 855 C MET P 51 6.826 1.818 -14.099 1.00 1.00 C ATOM 856 O MET P 51 6.762 2.108 -15.292 1.00 1.00 O ATOM 857 CB MET P 51 4.649 0.922 -13.233 1.00 1.00 C ATOM 858 CG MET P 51 3.814 -0.363 -13.142 1.00 1.00 C ATOM 859 SD MET P 51 2.061 0.063 -12.951 1.00 1.00 S ATOM 860 CE MET P 51 2.132 0.702 -11.261 1.00 1.00 C ATOM 0 H MET P 51 6.279 0.154 -11.526 1.00 1.00 H new ATOM 0 HA MET P 51 6.115 -0.193 -14.338 1.00 1.00 H new ATOM 0 HB2 MET P 51 4.602 1.463 -12.288 1.00 1.00 H new ATOM 0 HB3 MET P 51 4.236 1.580 -13.998 1.00 1.00 H new ATOM 0 HG2 MET P 51 3.957 -0.966 -14.039 1.00 1.00 H new ATOM 0 HG3 MET P 51 4.146 -0.966 -12.297 1.00 1.00 H new ATOM 0 HE1 MET P 51 1.120 0.838 -10.881 1.00 1.00 H new ATOM 0 HE2 MET P 51 2.666 -0.006 -10.627 1.00 1.00 H new ATOM 0 HE3 MET P 51 2.654 1.659 -11.256 1.00 1.00 H new ATOM 870 N LEU P 52 7.504 2.557 -13.215 1.00 1.00 N ATOM 871 CA LEU P 52 8.211 3.763 -13.648 1.00 1.00 C ATOM 872 C LEU P 52 9.276 3.433 -14.689 1.00 1.00 C ATOM 873 O LEU P 52 9.452 4.166 -15.662 1.00 1.00 O ATOM 874 CB LEU P 52 8.853 4.460 -12.439 1.00 1.00 C ATOM 875 CG LEU P 52 9.609 5.730 -12.875 1.00 1.00 C ATOM 876 CD1 LEU P 52 8.660 6.703 -13.605 1.00 1.00 C ATOM 877 CD2 LEU P 52 10.187 6.405 -11.626 1.00 1.00 C ATOM 0 H LEU P 52 7.577 2.348 -12.219 1.00 1.00 H new ATOM 0 HA LEU P 52 7.486 4.435 -14.107 1.00 1.00 H new ATOM 0 HB2 LEU P 52 8.083 4.721 -11.713 1.00 1.00 H new ATOM 0 HB3 LEU P 52 9.540 3.775 -11.942 1.00 1.00 H new ATOM 0 HG LEU P 52 10.410 5.458 -13.562 1.00 1.00 H new ATOM 0 HD11 LEU P 52 9.212 7.594 -13.905 1.00 1.00 H new ATOM 0 HD12 LEU P 52 8.249 6.216 -14.489 1.00 1.00 H new ATOM 0 HD13 LEU P 52 7.847 6.988 -12.937 1.00 1.00 H new ATOM 0 HD21 LEU P 52 10.726 7.307 -11.916 1.00 1.00 H new ATOM 0 HD22 LEU P 52 9.376 6.670 -10.947 1.00 1.00 H new ATOM 0 HD23 LEU P 52 10.870 5.719 -11.125 1.00 1.00 H new ATOM 889 N LEU P 53 9.985 2.336 -14.486 1.00 1.00 N ATOM 890 CA LEU P 53 11.028 1.938 -15.424 1.00 1.00 C ATOM 891 C LEU P 53 10.408 1.521 -16.753 1.00 1.00 C ATOM 892 O LEU P 53 10.110 2.400 -17.546 1.00 1.00 O ATOM 893 CB LEU P 53 11.839 0.772 -14.852 1.00 1.00 C ATOM 894 CG LEU P 53 12.408 1.139 -13.473 1.00 1.00 C ATOM 895 CD1 LEU P 53 13.125 -0.084 -12.883 1.00 1.00 C ATOM 896 CD2 LEU P 53 13.408 2.306 -13.604 1.00 1.00 C ATOM 897 OXT LEU P 53 10.240 0.331 -16.956 1.00 1.00 O ATOM 0 H LEU P 53 9.862 1.709 -13.691 1.00 1.00 H new ATOM 0 HA LEU P 53 11.689 2.789 -15.586 1.00 1.00 H new ATOM 0 HB2 LEU P 53 11.207 -0.112 -14.768 1.00 1.00 H new ATOM 0 HB3 LEU P 53 12.652 0.519 -15.532 1.00 1.00 H new ATOM 0 HG LEU P 53 11.592 1.444 -12.818 1.00 1.00 H new ATOM 0 HD11 LEU P 53 13.531 0.170 -11.904 1.00 1.00 H new ATOM 0 HD12 LEU P 53 12.417 -0.906 -12.780 1.00 1.00 H new ATOM 0 HD13 LEU P 53 13.936 -0.385 -13.546 1.00 1.00 H new ATOM 0 HD21 LEU P 53 13.805 2.557 -12.620 1.00 1.00 H new ATOM 0 HD22 LEU P 53 14.226 2.012 -14.261 1.00 1.00 H new ATOM 0 HD23 LEU P 53 12.900 3.175 -14.023 1.00 1.00 H new TER 909 LEU P 53