USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 461 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: P 18 THR OG1 : rot -70:sc= 1.02 USER MOD Set 1.2: P 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : P 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 6 GLN : amide:sc= -0.165 X(o=-0.16,f=-0.23) USER MOD Single : P 7 TYR OH : rot 180:sc= 0 USER MOD Single : P 9 THR OG1 : rot 88:sc= 1.3 USER MOD Single : P 11 SER OG : rot -14:sc= -0.192 USER MOD Single : P 17 SER OG : rot 180:sc= 0 USER MOD Single : P 23 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : P 24 GLN : amide:sc=-0.00251 K(o=-0.0025,f=-0.93) USER MOD Single : P 27 GLN : amide:sc= 0 X(o=0,f=0.38) USER MOD Single : P 28 ASN :FLIP amide:sc= -2.01! C(o=-3.1!,f=-2!) USER MOD Single : P 30 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.59) USER MOD Single : P 31 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : P 35 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : P 51 MET CE :methyl -165:sc= 0 (180deg=-0.0518) USER MOD ----------------------------------------------------------------- ATOM 30 N GLU P 3 -15.901 30.989 15.144 1.00 1.00 N ATOM 31 CA GLU P 3 -14.899 31.250 16.176 1.00 1.00 C ATOM 32 C GLU P 3 -14.227 29.957 16.630 1.00 1.00 C ATOM 33 O GLU P 3 -13.037 29.942 16.945 1.00 1.00 O ATOM 34 CB GLU P 3 -15.558 31.936 17.373 1.00 1.00 C ATOM 35 CG GLU P 3 -16.627 31.021 17.973 1.00 1.00 C ATOM 36 CD GLU P 3 -17.353 31.744 19.101 1.00 1.00 C ATOM 37 OE1 GLU P 3 -17.580 32.936 18.964 1.00 1.00 O ATOM 38 OE2 GLU P 3 -17.672 31.097 20.085 1.00 1.00 O ATOM 0 HA GLU P 3 -14.135 31.902 15.753 1.00 1.00 H new ATOM 0 HB2 GLU P 3 -14.807 32.174 18.126 1.00 1.00 H new ATOM 0 HB3 GLU P 3 -16.007 32.879 17.061 1.00 1.00 H new ATOM 0 HG2 GLU P 3 -17.338 30.724 17.202 1.00 1.00 H new ATOM 0 HG3 GLU P 3 -16.167 30.108 18.351 1.00 1.00 H new ATOM 45 N LYS P 4 -14.996 28.877 16.666 1.00 1.00 N ATOM 46 CA LYS P 4 -14.466 27.585 17.088 1.00 1.00 C ATOM 47 C LYS P 4 -13.407 27.077 16.111 1.00 1.00 C ATOM 48 O LYS P 4 -12.695 26.116 16.403 1.00 1.00 O ATOM 49 CB LYS P 4 -15.599 26.563 17.188 1.00 1.00 C ATOM 50 CG LYS P 4 -16.539 26.950 18.332 1.00 1.00 C ATOM 51 CD LYS P 4 -17.680 25.935 18.419 1.00 1.00 C ATOM 52 CE LYS P 4 -18.623 26.316 19.563 1.00 1.00 C ATOM 53 NZ LYS P 4 -19.742 25.333 19.628 1.00 1.00 N ATOM 0 H LYS P 4 -15.983 28.868 16.410 1.00 1.00 H new ATOM 0 HA LYS P 4 -14.001 27.715 18.065 1.00 1.00 H new ATOM 0 HB2 LYS P 4 -16.150 26.523 16.249 1.00 1.00 H new ATOM 0 HB3 LYS P 4 -15.190 25.567 17.361 1.00 1.00 H new ATOM 0 HG2 LYS P 4 -15.991 26.979 19.274 1.00 1.00 H new ATOM 0 HG3 LYS P 4 -16.939 27.950 18.166 1.00 1.00 H new ATOM 0 HD2 LYS P 4 -18.228 25.908 17.477 1.00 1.00 H new ATOM 0 HD3 LYS P 4 -17.278 24.935 18.583 1.00 1.00 H new ATOM 0 HE2 LYS P 4 -18.080 26.329 20.508 1.00 1.00 H new ATOM 0 HE3 LYS P 4 -19.015 27.321 19.407 1.00 1.00 H new ATOM 0 HZ1 LYS P 4 -20.385 25.589 20.405 1.00 1.00 H new ATOM 0 HZ2 LYS P 4 -20.265 25.342 18.729 1.00 1.00 H new ATOM 0 HZ3 LYS P 4 -19.358 24.381 19.796 1.00 1.00 H new ATOM 67 N VAL P 5 -13.307 27.719 14.952 1.00 1.00 N ATOM 68 CA VAL P 5 -12.327 27.312 13.951 1.00 1.00 C ATOM 69 C VAL P 5 -10.908 27.519 14.468 1.00 1.00 C ATOM 70 O VAL P 5 -10.048 26.651 14.324 1.00 1.00 O ATOM 71 CB VAL P 5 -12.526 28.105 12.659 1.00 1.00 C ATOM 72 CG1 VAL P 5 -11.443 27.727 11.646 1.00 1.00 C ATOM 73 CG2 VAL P 5 -13.903 27.781 12.075 1.00 1.00 C ATOM 0 H VAL P 5 -13.886 28.515 14.684 1.00 1.00 H new ATOM 0 HA VAL P 5 -12.473 26.251 13.746 1.00 1.00 H new ATOM 0 HB VAL P 5 -12.458 29.171 12.876 1.00 1.00 H new ATOM 0 HG11 VAL P 5 -11.590 28.295 10.727 1.00 1.00 H new ATOM 0 HG12 VAL P 5 -10.461 27.955 12.061 1.00 1.00 H new ATOM 0 HG13 VAL P 5 -11.506 26.661 11.427 1.00 1.00 H new ATOM 0 HG21 VAL P 5 -14.049 28.344 11.153 1.00 1.00 H new ATOM 0 HG22 VAL P 5 -13.966 26.714 11.862 1.00 1.00 H new ATOM 0 HG23 VAL P 5 -14.676 28.054 12.793 1.00 1.00 H new ATOM 83 N GLN P 6 -10.676 28.678 15.066 1.00 1.00 N ATOM 84 CA GLN P 6 -9.356 29.005 15.604 1.00 1.00 C ATOM 85 C GLN P 6 -8.971 28.051 16.724 1.00 1.00 C ATOM 86 O GLN P 6 -7.857 27.528 16.751 1.00 1.00 O ATOM 87 CB GLN P 6 -9.342 30.444 16.133 1.00 1.00 C ATOM 88 CG GLN P 6 -9.625 31.422 14.990 1.00 1.00 C ATOM 89 CD GLN P 6 -8.501 31.364 13.961 1.00 1.00 C ATOM 90 OE1 GLN P 6 -7.331 31.526 14.307 1.00 1.00 O ATOM 91 NE2 GLN P 6 -8.788 31.140 12.708 1.00 1.00 N ATOM 0 H GLN P 6 -11.378 29.407 15.193 1.00 1.00 H new ATOM 0 HA GLN P 6 -8.631 28.906 14.796 1.00 1.00 H new ATOM 0 HB2 GLN P 6 -10.091 30.560 16.916 1.00 1.00 H new ATOM 0 HB3 GLN P 6 -8.374 30.666 16.582 1.00 1.00 H new ATOM 0 HG2 GLN P 6 -10.575 31.175 14.517 1.00 1.00 H new ATOM 0 HG3 GLN P 6 -9.718 32.435 15.382 1.00 1.00 H new ATOM 0 HE21 GLN P 6 -9.758 31.006 12.423 1.00 1.00 H new ATOM 0 HE22 GLN P 6 -8.042 31.099 12.013 1.00 1.00 H new ATOM 100 N TYR P 7 -9.893 27.831 17.642 1.00 1.00 N ATOM 101 CA TYR P 7 -9.639 26.936 18.762 1.00 1.00 C ATOM 102 C TYR P 7 -9.393 25.518 18.260 1.00 1.00 C ATOM 103 O TYR P 7 -8.400 24.883 18.617 1.00 1.00 O ATOM 104 CB TYR P 7 -10.838 26.949 19.715 1.00 1.00 C ATOM 105 CG TYR P 7 -10.657 25.913 20.803 1.00 1.00 C ATOM 106 CD1 TYR P 7 -9.849 26.191 21.911 1.00 1.00 C ATOM 107 CD2 TYR P 7 -11.304 24.674 20.703 1.00 1.00 C ATOM 108 CE1 TYR P 7 -9.686 25.231 22.918 1.00 1.00 C ATOM 109 CE2 TYR P 7 -11.142 23.714 21.709 1.00 1.00 C ATOM 110 CZ TYR P 7 -10.333 23.992 22.817 1.00 1.00 C ATOM 111 OH TYR P 7 -10.173 23.047 23.810 1.00 1.00 O ATOM 0 H TYR P 7 -10.820 28.256 17.638 1.00 1.00 H new ATOM 0 HA TYR P 7 -8.751 27.279 19.293 1.00 1.00 H new ATOM 0 HB2 TYR P 7 -10.946 27.938 20.160 1.00 1.00 H new ATOM 0 HB3 TYR P 7 -11.754 26.747 19.160 1.00 1.00 H new ATOM 0 HD1 TYR P 7 -9.351 27.146 21.990 1.00 1.00 H new ATOM 0 HD2 TYR P 7 -11.929 24.459 19.848 1.00 1.00 H new ATOM 0 HE1 TYR P 7 -9.061 25.446 23.773 1.00 1.00 H new ATOM 0 HE2 TYR P 7 -11.641 22.759 21.630 1.00 1.00 H new ATOM 0 HH TYR P 7 -10.690 22.246 23.585 1.00 1.00 H new ATOM 121 N LEU P 8 -10.307 25.028 17.431 1.00 1.00 N ATOM 122 CA LEU P 8 -10.181 23.684 16.889 1.00 1.00 C ATOM 123 C LEU P 8 -8.807 23.516 16.245 1.00 1.00 C ATOM 124 O LEU P 8 -8.178 22.467 16.376 1.00 1.00 O ATOM 125 CB LEU P 8 -11.281 23.427 15.848 1.00 1.00 C ATOM 126 CG LEU P 8 -12.631 23.162 16.543 1.00 1.00 C ATOM 127 CD1 LEU P 8 -13.755 23.279 15.508 1.00 1.00 C ATOM 128 CD2 LEU P 8 -12.665 21.746 17.176 1.00 1.00 C ATOM 0 H LEU P 8 -11.135 25.537 17.123 1.00 1.00 H new ATOM 0 HA LEU P 8 -10.289 22.963 17.699 1.00 1.00 H new ATOM 0 HB2 LEU P 8 -11.370 24.287 15.184 1.00 1.00 H new ATOM 0 HB3 LEU P 8 -11.011 22.572 15.228 1.00 1.00 H new ATOM 0 HG LEU P 8 -12.764 23.897 17.337 1.00 1.00 H new ATOM 0 HD11 LEU P 8 -14.715 23.093 15.990 1.00 1.00 H new ATOM 0 HD12 LEU P 8 -13.752 24.281 15.080 1.00 1.00 H new ATOM 0 HD13 LEU P 8 -13.599 22.546 14.717 1.00 1.00 H new ATOM 0 HD21 LEU P 8 -13.629 21.587 17.659 1.00 1.00 H new ATOM 0 HD22 LEU P 8 -12.521 20.996 16.398 1.00 1.00 H new ATOM 0 HD23 LEU P 8 -11.869 21.659 17.916 1.00 1.00 H new ATOM 140 N THR P 9 -8.341 24.553 15.557 1.00 1.00 N ATOM 141 CA THR P 9 -7.036 24.493 14.911 1.00 1.00 C ATOM 142 C THR P 9 -5.949 24.281 15.967 1.00 1.00 C ATOM 143 O THR P 9 -5.061 23.431 15.818 1.00 1.00 O ATOM 144 CB THR P 9 -6.763 25.795 14.157 1.00 1.00 C ATOM 145 OG1 THR P 9 -7.742 25.964 13.142 1.00 1.00 O ATOM 146 CG2 THR P 9 -5.371 25.739 13.528 1.00 1.00 C ATOM 0 H THR P 9 -8.840 25.434 15.433 1.00 1.00 H new ATOM 0 HA THR P 9 -7.029 23.662 14.206 1.00 1.00 H new ATOM 0 HB THR P 9 -6.810 26.636 14.849 1.00 1.00 H new ATOM 0 HG1 THR P 9 -8.523 26.424 13.514 1.00 1.00 H new ATOM 0 HG21 THR P 9 -5.177 26.667 12.991 1.00 1.00 H new ATOM 0 HG22 THR P 9 -4.623 25.609 14.310 1.00 1.00 H new ATOM 0 HG23 THR P 9 -5.319 24.900 12.834 1.00 1.00 H new ATOM 154 N ARG P 10 -6.030 25.056 17.043 1.00 1.00 N ATOM 155 CA ARG P 10 -5.059 24.943 18.116 1.00 1.00 C ATOM 156 C ARG P 10 -5.097 23.530 18.670 1.00 1.00 C ATOM 157 O ARG P 10 -4.069 22.917 18.920 1.00 1.00 O ATOM 158 CB ARG P 10 -5.365 25.960 19.221 1.00 1.00 C ATOM 159 CG ARG P 10 -4.280 25.887 20.297 1.00 1.00 C ATOM 160 CD ARG P 10 -4.485 27.010 21.315 1.00 1.00 C ATOM 161 NE ARG P 10 -5.750 26.830 22.019 1.00 1.00 N ATOM 162 CZ ARG P 10 -6.235 27.780 22.811 1.00 1.00 C ATOM 163 NH1 ARG P 10 -5.579 28.899 22.966 1.00 1.00 N ATOM 164 NH2 ARG P 10 -7.365 27.595 23.433 1.00 1.00 N ATOM 0 H ARG P 10 -6.752 25.761 17.192 1.00 1.00 H new ATOM 0 HA ARG P 10 -4.062 25.154 17.729 1.00 1.00 H new ATOM 0 HB2 ARG P 10 -5.410 26.965 18.802 1.00 1.00 H new ATOM 0 HB3 ARG P 10 -6.341 25.754 19.660 1.00 1.00 H new ATOM 0 HG2 ARG P 10 -4.315 24.919 20.797 1.00 1.00 H new ATOM 0 HG3 ARG P 10 -3.294 25.974 19.839 1.00 1.00 H new ATOM 0 HD2 ARG P 10 -3.661 27.018 22.029 1.00 1.00 H new ATOM 0 HD3 ARG P 10 -4.477 27.975 20.809 1.00 1.00 H new ATOM 0 HE ARG P 10 -6.270 25.961 21.901 1.00 1.00 H new ATOM 0 HH11 ARG P 10 -4.694 29.043 22.479 1.00 1.00 H new ATOM 0 HH12 ARG P 10 -5.951 29.628 23.574 1.00 1.00 H new ATOM 0 HH21 ARG P 10 -7.877 26.721 23.312 1.00 1.00 H new ATOM 0 HH22 ARG P 10 -7.738 28.324 24.041 1.00 1.00 H new ATOM 178 N SER P 11 -6.294 23.012 18.854 1.00 1.00 N ATOM 179 CA SER P 11 -6.437 21.661 19.372 1.00 1.00 C ATOM 180 C SER P 11 -5.907 20.669 18.344 1.00 1.00 C ATOM 181 O SER P 11 -5.421 19.603 18.685 1.00 1.00 O ATOM 182 CB SER P 11 -7.903 21.353 19.672 1.00 1.00 C ATOM 183 OG SER P 11 -8.660 21.503 18.483 1.00 1.00 O ATOM 0 H SER P 11 -7.171 23.494 18.657 1.00 1.00 H new ATOM 0 HA SER P 11 -5.868 21.576 20.298 1.00 1.00 H new ATOM 0 HB2 SER P 11 -8.003 20.338 20.056 1.00 1.00 H new ATOM 0 HB3 SER P 11 -8.278 22.025 20.444 1.00 1.00 H new ATOM 0 HG SER P 11 -8.125 21.976 17.812 1.00 1.00 H new ATOM 189 N ALA P 12 -6.003 21.044 17.082 1.00 1.00 N ATOM 190 CA ALA P 12 -5.529 20.180 16.013 1.00 1.00 C ATOM 191 C ALA P 12 -4.089 19.816 16.280 1.00 1.00 C ATOM 192 O ALA P 12 -3.652 18.700 16.001 1.00 1.00 O ATOM 193 CB ALA P 12 -5.665 20.864 14.644 1.00 1.00 C ATOM 0 H ALA P 12 -6.400 21.931 16.772 1.00 1.00 H new ATOM 0 HA ALA P 12 -6.139 19.277 15.989 1.00 1.00 H new ATOM 0 HB1 ALA P 12 -5.303 20.194 13.865 1.00 1.00 H new ATOM 0 HB2 ALA P 12 -6.712 21.103 14.459 1.00 1.00 H new ATOM 0 HB3 ALA P 12 -5.077 21.782 14.636 1.00 1.00 H new ATOM 199 N ILE P 13 -3.349 20.772 16.829 1.00 1.00 N ATOM 200 CA ILE P 13 -1.933 20.533 17.137 1.00 1.00 C ATOM 201 C ILE P 13 -1.797 19.672 18.404 1.00 1.00 C ATOM 202 O ILE P 13 -0.916 18.817 18.491 1.00 1.00 O ATOM 203 CB ILE P 13 -1.145 21.885 17.245 1.00 1.00 C ATOM 204 CG1 ILE P 13 0.279 21.724 16.668 1.00 1.00 C ATOM 205 CG2 ILE P 13 -1.016 22.372 18.709 1.00 1.00 C ATOM 206 CD1 ILE P 13 0.997 23.074 16.693 1.00 1.00 C ATOM 0 H ILE P 13 -3.691 21.703 17.068 1.00 1.00 H new ATOM 0 HA ILE P 13 -1.484 19.974 16.316 1.00 1.00 H new ATOM 0 HB ILE P 13 -1.713 22.621 16.676 1.00 1.00 H new ATOM 0 HG12 ILE P 13 0.838 20.992 17.251 1.00 1.00 H new ATOM 0 HG13 ILE P 13 0.228 21.346 15.647 1.00 1.00 H new ATOM 0 HG21 ILE P 13 -0.463 23.311 18.733 1.00 1.00 H new ATOM 0 HG22 ILE P 13 -2.010 22.525 19.130 1.00 1.00 H new ATOM 0 HG23 ILE P 13 -0.484 21.623 19.296 1.00 1.00 H new ATOM 0 HD11 ILE P 13 2.002 22.959 16.286 1.00 1.00 H new ATOM 0 HD12 ILE P 13 0.441 23.793 16.091 1.00 1.00 H new ATOM 0 HD13 ILE P 13 1.061 23.433 17.720 1.00 1.00 H new ATOM 218 N ARG P 14 -2.677 19.911 19.380 1.00 1.00 N ATOM 219 CA ARG P 14 -2.636 19.149 20.631 1.00 1.00 C ATOM 220 C ARG P 14 -3.031 17.705 20.365 1.00 1.00 C ATOM 221 O ARG P 14 -2.406 16.769 20.850 1.00 1.00 O ATOM 222 CB ARG P 14 -3.583 19.771 21.661 1.00 1.00 C ATOM 223 CG ARG P 14 -3.458 19.025 22.992 1.00 1.00 C ATOM 224 CD ARG P 14 -4.349 19.698 24.037 1.00 1.00 C ATOM 225 NE ARG P 14 -5.754 19.583 23.651 1.00 1.00 N ATOM 226 CZ ARG P 14 -6.658 20.493 24.015 1.00 1.00 C ATOM 227 NH1 ARG P 14 -6.301 21.518 24.743 1.00 1.00 N ATOM 228 NH2 ARG P 14 -7.901 20.358 23.644 1.00 1.00 N ATOM 0 H ARG P 14 -3.415 20.614 19.331 1.00 1.00 H new ATOM 0 HA ARG P 14 -1.622 19.175 21.029 1.00 1.00 H new ATOM 0 HB2 ARG P 14 -3.343 20.825 21.800 1.00 1.00 H new ATOM 0 HB3 ARG P 14 -4.611 19.722 21.301 1.00 1.00 H new ATOM 0 HG2 ARG P 14 -3.750 17.982 22.866 1.00 1.00 H new ATOM 0 HG3 ARG P 14 -2.421 19.027 23.327 1.00 1.00 H new ATOM 0 HD2 ARG P 14 -4.193 19.235 25.011 1.00 1.00 H new ATOM 0 HD3 ARG P 14 -4.076 20.749 24.136 1.00 1.00 H new ATOM 0 HE ARG P 14 -6.051 18.786 23.088 1.00 1.00 H new ATOM 0 HH11 ARG P 14 -5.329 21.623 25.034 1.00 1.00 H new ATOM 0 HH12 ARG P 14 -6.994 22.213 25.020 1.00 1.00 H new ATOM 0 HH21 ARG P 14 -8.180 19.558 23.077 1.00 1.00 H new ATOM 0 HH22 ARG P 14 -8.594 21.053 23.921 1.00 1.00 H new ATOM 242 N ARG P 15 -4.077 17.553 19.585 1.00 1.00 N ATOM 243 CA ARG P 15 -4.585 16.252 19.228 1.00 1.00 C ATOM 244 C ARG P 15 -3.459 15.423 18.640 1.00 1.00 C ATOM 245 O ARG P 15 -3.361 14.234 18.884 1.00 1.00 O ATOM 246 CB ARG P 15 -5.727 16.428 18.231 1.00 1.00 C ATOM 247 CG ARG P 15 -6.948 16.987 18.965 1.00 1.00 C ATOM 248 CD ARG P 15 -8.025 17.377 17.957 1.00 1.00 C ATOM 249 NE ARG P 15 -9.240 17.795 18.650 1.00 1.00 N ATOM 250 CZ ARG P 15 -10.237 18.381 17.997 1.00 1.00 C ATOM 251 NH1 ARG P 15 -10.140 18.588 16.711 1.00 1.00 N ATOM 252 NH2 ARG P 15 -11.313 18.749 18.641 1.00 1.00 N ATOM 0 H ARG P 15 -4.599 18.330 19.181 1.00 1.00 H new ATOM 0 HA ARG P 15 -4.968 15.731 20.105 1.00 1.00 H new ATOM 0 HB2 ARG P 15 -5.427 17.104 17.430 1.00 1.00 H new ATOM 0 HB3 ARG P 15 -5.972 15.473 17.766 1.00 1.00 H new ATOM 0 HG2 ARG P 15 -7.339 16.242 19.658 1.00 1.00 H new ATOM 0 HG3 ARG P 15 -6.661 17.855 19.558 1.00 1.00 H new ATOM 0 HD2 ARG P 15 -7.663 18.186 17.323 1.00 1.00 H new ATOM 0 HD3 ARG P 15 -8.243 16.533 17.303 1.00 1.00 H new ATOM 0 HE ARG P 15 -9.325 17.634 19.654 1.00 1.00 H new ATOM 0 HH11 ARG P 15 -9.300 18.300 16.210 1.00 1.00 H new ATOM 0 HH12 ARG P 15 -10.905 19.038 16.208 1.00 1.00 H new ATOM 0 HH21 ARG P 15 -11.387 18.586 19.645 1.00 1.00 H new ATOM 0 HH22 ARG P 15 -12.079 19.199 18.139 1.00 1.00 H new ATOM 266 N ALA P 16 -2.584 16.049 17.873 1.00 1.00 N ATOM 267 CA ALA P 16 -1.479 15.299 17.304 1.00 1.00 C ATOM 268 C ALA P 16 -0.729 14.657 18.460 1.00 1.00 C ATOM 269 O ALA P 16 -0.054 13.639 18.314 1.00 1.00 O ATOM 270 CB ALA P 16 -0.550 16.216 16.505 1.00 1.00 C ATOM 0 H ALA P 16 -2.613 17.041 17.636 1.00 1.00 H new ATOM 0 HA ALA P 16 -1.850 14.541 16.615 1.00 1.00 H new ATOM 0 HB1 ALA P 16 0.270 15.630 16.089 1.00 1.00 H new ATOM 0 HB2 ALA P 16 -1.109 16.684 15.695 1.00 1.00 H new ATOM 0 HB3 ALA P 16 -0.148 16.988 17.161 1.00 1.00 H new ATOM 276 N SER P 17 -0.885 15.288 19.621 1.00 1.00 N ATOM 277 CA SER P 17 -0.252 14.811 20.843 1.00 1.00 C ATOM 278 C SER P 17 -1.109 13.709 21.471 1.00 1.00 C ATOM 279 O SER P 17 -0.661 12.570 21.598 1.00 1.00 O ATOM 280 CB SER P 17 -0.045 15.968 21.840 1.00 1.00 C ATOM 281 OG SER P 17 1.128 15.702 22.603 1.00 1.00 O ATOM 0 H SER P 17 -1.446 16.132 19.739 1.00 1.00 H new ATOM 0 HA SER P 17 0.728 14.403 20.595 1.00 1.00 H new ATOM 0 HB2 SER P 17 0.056 16.914 21.307 1.00 1.00 H new ATOM 0 HB3 SER P 17 -0.910 16.062 22.496 1.00 1.00 H new ATOM 0 HG SER P 17 1.275 16.431 23.242 1.00 1.00 H new ATOM 287 N THR P 18 -2.346 14.053 21.883 1.00 1.00 N ATOM 288 CA THR P 18 -3.257 13.081 22.519 1.00 1.00 C ATOM 289 C THR P 18 -4.636 12.986 21.843 1.00 1.00 C ATOM 290 O THR P 18 -5.649 12.846 22.530 1.00 1.00 O ATOM 291 CB THR P 18 -3.441 13.468 23.988 1.00 1.00 C ATOM 292 OG1 THR P 18 -4.417 12.623 24.584 1.00 1.00 O ATOM 293 CG2 THR P 18 -3.900 14.922 24.080 1.00 1.00 C ATOM 0 H THR P 18 -2.735 14.991 21.787 1.00 1.00 H new ATOM 0 HA THR P 18 -2.795 12.099 22.415 1.00 1.00 H new ATOM 0 HB THR P 18 -2.493 13.353 24.514 1.00 1.00 H new ATOM 0 HG1 THR P 18 -5.301 12.834 24.217 1.00 1.00 H new ATOM 0 HG21 THR P 18 -4.031 15.197 25.127 1.00 1.00 H new ATOM 0 HG22 THR P 18 -3.150 15.570 23.626 1.00 1.00 H new ATOM 0 HG23 THR P 18 -4.847 15.039 23.553 1.00 1.00 H new ATOM 301 N ILE P 19 -4.668 13.052 20.510 1.00 1.00 N ATOM 302 CA ILE P 19 -5.933 12.959 19.743 1.00 1.00 C ATOM 303 C ILE P 19 -6.866 11.944 20.409 1.00 1.00 C ATOM 304 O ILE P 19 -8.091 12.055 20.345 1.00 1.00 O ATOM 305 CB ILE P 19 -5.622 12.500 18.299 1.00 1.00 C ATOM 306 CG1 ILE P 19 -6.891 12.023 17.534 1.00 1.00 C ATOM 307 CG2 ILE P 19 -4.630 11.343 18.355 1.00 1.00 C ATOM 308 CD1 ILE P 19 -7.949 13.130 17.449 1.00 1.00 C ATOM 0 H ILE P 19 -3.837 13.169 19.930 1.00 1.00 H new ATOM 0 HA ILE P 19 -6.417 13.935 19.722 1.00 1.00 H new ATOM 0 HB ILE P 19 -5.214 13.358 17.764 1.00 1.00 H new ATOM 0 HG12 ILE P 19 -6.613 11.707 16.529 1.00 1.00 H new ATOM 0 HG13 ILE P 19 -7.314 11.153 18.036 1.00 1.00 H new ATOM 0 HG21 ILE P 19 -4.402 11.010 17.343 1.00 1.00 H new ATOM 0 HG22 ILE P 19 -3.713 11.673 18.843 1.00 1.00 H new ATOM 0 HG23 ILE P 19 -5.065 10.518 18.919 1.00 1.00 H new ATOM 0 HD11 ILE P 19 -8.820 12.760 16.908 1.00 1.00 H new ATOM 0 HD12 ILE P 19 -8.246 13.428 18.455 1.00 1.00 H new ATOM 0 HD13 ILE P 19 -7.534 13.990 16.924 1.00 1.00 H new ATOM 320 N GLU P 20 -6.254 10.952 21.045 1.00 1.00 N ATOM 321 CA GLU P 20 -6.983 9.889 21.732 1.00 1.00 C ATOM 322 C GLU P 20 -6.276 9.508 23.022 1.00 1.00 C ATOM 323 O GLU P 20 -5.339 8.708 23.014 1.00 1.00 O ATOM 324 CB GLU P 20 -7.078 8.668 20.813 1.00 1.00 C ATOM 325 CG GLU P 20 -7.725 7.490 21.547 1.00 1.00 C ATOM 326 CD GLU P 20 -7.991 6.359 20.565 1.00 1.00 C ATOM 327 OE1 GLU P 20 -7.928 6.611 19.374 1.00 1.00 O ATOM 328 OE2 GLU P 20 -8.256 5.259 21.018 1.00 1.00 O ATOM 0 H GLU P 20 -5.240 10.861 21.100 1.00 1.00 H new ATOM 0 HA GLU P 20 -7.984 10.244 21.978 1.00 1.00 H new ATOM 0 HB2 GLU P 20 -7.663 8.917 19.928 1.00 1.00 H new ATOM 0 HB3 GLU P 20 -6.083 8.387 20.469 1.00 1.00 H new ATOM 0 HG2 GLU P 20 -7.071 7.144 22.347 1.00 1.00 H new ATOM 0 HG3 GLU P 20 -8.658 7.807 22.013 1.00 1.00 H new ATOM 335 N MET P 21 -6.734 10.088 24.131 1.00 1.00 N ATOM 336 CA MET P 21 -6.148 9.812 25.453 1.00 1.00 C ATOM 337 C MET P 21 -5.724 8.335 25.559 1.00 1.00 C ATOM 338 O MET P 21 -4.549 8.057 25.792 1.00 1.00 O ATOM 339 CB MET P 21 -7.161 10.185 26.579 1.00 1.00 C ATOM 340 CG MET P 21 -6.785 11.518 27.258 1.00 1.00 C ATOM 341 SD MET P 21 -5.187 11.345 28.094 1.00 1.00 S ATOM 342 CE MET P 21 -4.789 13.106 28.228 1.00 1.00 C ATOM 0 H MET P 21 -7.508 10.752 24.146 1.00 1.00 H new ATOM 0 HA MET P 21 -5.256 10.427 25.577 1.00 1.00 H new ATOM 0 HB2 MET P 21 -8.164 10.260 26.158 1.00 1.00 H new ATOM 0 HB3 MET P 21 -7.187 9.390 27.324 1.00 1.00 H new ATOM 0 HG2 MET P 21 -6.734 12.314 26.515 1.00 1.00 H new ATOM 0 HG3 MET P 21 -7.554 11.801 27.977 1.00 1.00 H new ATOM 0 HE1 MET P 21 -3.825 13.225 28.723 1.00 1.00 H new ATOM 0 HE2 MET P 21 -4.742 13.545 27.232 1.00 1.00 H new ATOM 0 HE3 MET P 21 -5.560 13.610 28.810 1.00 1.00 H new ATOM 352 N PRO P 22 -6.640 7.396 25.393 1.00 1.00 N ATOM 353 CA PRO P 22 -6.307 5.948 25.474 1.00 1.00 C ATOM 354 C PRO P 22 -4.944 5.668 24.854 1.00 1.00 C ATOM 355 O PRO P 22 -4.681 6.006 23.705 1.00 1.00 O ATOM 356 CB PRO P 22 -7.433 5.279 24.682 1.00 1.00 C ATOM 357 CG PRO P 22 -8.627 6.168 24.878 1.00 1.00 C ATOM 358 CD PRO P 22 -8.076 7.597 25.117 1.00 1.00 C ATOM 0 HA PRO P 22 -6.239 5.580 26.498 1.00 1.00 H new ATOM 0 HB2 PRO P 22 -7.175 5.191 23.627 1.00 1.00 H new ATOM 0 HB3 PRO P 22 -7.627 4.271 25.047 1.00 1.00 H new ATOM 0 HG2 PRO P 22 -9.277 6.144 24.003 1.00 1.00 H new ATOM 0 HG3 PRO P 22 -9.224 5.835 25.727 1.00 1.00 H new ATOM 0 HD2 PRO P 22 -8.228 8.232 24.244 1.00 1.00 H new ATOM 0 HD3 PRO P 22 -8.578 8.081 25.955 1.00 1.00 H new ATOM 366 N GLN P 23 -4.094 5.057 25.635 1.00 1.00 N ATOM 367 CA GLN P 23 -2.739 4.722 25.190 1.00 1.00 C ATOM 368 C GLN P 23 -2.711 3.346 24.547 1.00 1.00 C ATOM 369 O GLN P 23 -1.690 2.919 24.009 1.00 1.00 O ATOM 370 CB GLN P 23 -1.785 4.752 26.384 1.00 1.00 C ATOM 371 CG GLN P 23 -1.636 6.194 26.874 1.00 1.00 C ATOM 372 CD GLN P 23 -0.727 6.237 28.096 1.00 1.00 C ATOM 373 OE1 GLN P 23 -0.212 5.204 28.522 1.00 1.00 O ATOM 374 NE2 GLN P 23 -0.499 7.377 28.687 1.00 1.00 N ATOM 0 H GLN P 23 -4.304 4.773 26.592 1.00 1.00 H new ATOM 0 HA GLN P 23 -2.423 5.457 24.450 1.00 1.00 H new ATOM 0 HB2 GLN P 23 -2.167 4.121 27.186 1.00 1.00 H new ATOM 0 HB3 GLN P 23 -0.813 4.350 26.098 1.00 1.00 H new ATOM 0 HG2 GLN P 23 -1.222 6.816 26.080 1.00 1.00 H new ATOM 0 HG3 GLN P 23 -2.614 6.605 27.123 1.00 1.00 H new ATOM 0 HE21 GLN P 23 -0.928 8.231 28.331 1.00 1.00 H new ATOM 0 HE22 GLN P 23 0.108 7.415 29.506 1.00 1.00 H new ATOM 383 N GLN P 24 -3.846 2.655 24.609 1.00 1.00 N ATOM 384 CA GLN P 24 -3.969 1.312 24.030 1.00 1.00 C ATOM 385 C GLN P 24 -4.728 1.371 22.719 1.00 1.00 C ATOM 386 O GLN P 24 -4.250 0.919 21.679 1.00 1.00 O ATOM 387 CB GLN P 24 -4.720 0.399 25.001 1.00 1.00 C ATOM 388 CG GLN P 24 -3.855 0.144 26.235 1.00 1.00 C ATOM 389 CD GLN P 24 -4.631 -0.681 27.255 1.00 1.00 C ATOM 390 OE1 GLN P 24 -5.846 -0.524 27.389 1.00 1.00 O ATOM 391 NE2 GLN P 24 -3.998 -1.555 27.985 1.00 1.00 N ATOM 0 H GLN P 24 -4.697 3.000 25.054 1.00 1.00 H new ATOM 0 HA GLN P 24 -2.969 0.918 23.849 1.00 1.00 H new ATOM 0 HB2 GLN P 24 -5.663 0.860 25.294 1.00 1.00 H new ATOM 0 HB3 GLN P 24 -4.964 -0.545 24.514 1.00 1.00 H new ATOM 0 HG2 GLN P 24 -2.944 -0.381 25.948 1.00 1.00 H new ATOM 0 HG3 GLN P 24 -3.551 1.092 26.678 1.00 1.00 H new ATOM 0 HE21 GLN P 24 -2.992 -1.682 27.871 1.00 1.00 H new ATOM 0 HE22 GLN P 24 -4.508 -2.112 28.670 1.00 1.00 H new ATOM 400 N ALA P 25 -5.924 1.931 22.795 1.00 1.00 N ATOM 401 CA ALA P 25 -6.780 2.052 21.618 1.00 1.00 C ATOM 402 C ALA P 25 -6.168 2.975 20.564 1.00 1.00 C ATOM 403 O ALA P 25 -6.301 2.742 19.371 1.00 1.00 O ATOM 404 CB ALA P 25 -8.174 2.542 22.031 1.00 1.00 C ATOM 0 H ALA P 25 -6.326 2.308 23.653 1.00 1.00 H new ATOM 0 HA ALA P 25 -6.871 1.065 21.165 1.00 1.00 H new ATOM 0 HB1 ALA P 25 -8.806 2.629 21.147 1.00 1.00 H new ATOM 0 HB2 ALA P 25 -8.619 1.830 22.726 1.00 1.00 H new ATOM 0 HB3 ALA P 25 -8.089 3.515 22.514 1.00 1.00 H new ATOM 410 N ARG P 26 -5.498 4.018 20.992 1.00 1.00 N ATOM 411 CA ARG P 26 -4.893 4.931 20.062 1.00 1.00 C ATOM 412 C ARG P 26 -3.876 4.219 19.175 1.00 1.00 C ATOM 413 O ARG P 26 -3.823 4.459 17.973 1.00 1.00 O ATOM 414 CB ARG P 26 -4.216 6.057 20.844 1.00 1.00 C ATOM 415 CG ARG P 26 -3.605 7.057 19.878 1.00 1.00 C ATOM 416 CD ARG P 26 -2.980 8.213 20.652 1.00 1.00 C ATOM 417 NE ARG P 26 -2.533 9.246 19.728 1.00 1.00 N ATOM 418 CZ ARG P 26 -1.664 10.176 20.104 1.00 1.00 C ATOM 419 NH1 ARG P 26 -1.185 10.169 21.318 1.00 1.00 N ATOM 420 NH2 ARG P 26 -1.289 11.094 19.255 1.00 1.00 N ATOM 0 H ARG P 26 -5.360 4.252 21.975 1.00 1.00 H new ATOM 0 HA ARG P 26 -5.666 5.342 19.413 1.00 1.00 H new ATOM 0 HB2 ARG P 26 -4.943 6.555 21.486 1.00 1.00 H new ATOM 0 HB3 ARG P 26 -3.444 5.647 21.495 1.00 1.00 H new ATOM 0 HG2 ARG P 26 -2.848 6.567 19.265 1.00 1.00 H new ATOM 0 HG3 ARG P 26 -4.370 7.434 19.199 1.00 1.00 H new ATOM 0 HD2 ARG P 26 -3.706 8.628 21.351 1.00 1.00 H new ATOM 0 HD3 ARG P 26 -2.138 7.853 21.243 1.00 1.00 H new ATOM 0 HE ARG P 26 -2.894 9.255 18.774 1.00 1.00 H new ATOM 0 HH11 ARG P 26 -1.478 9.449 21.978 1.00 1.00 H new ATOM 0 HH12 ARG P 26 -0.517 10.884 21.607 1.00 1.00 H new ATOM 0 HH21 ARG P 26 -1.664 11.095 18.306 1.00 1.00 H new ATOM 0 HH22 ARG P 26 -0.621 11.810 19.540 1.00 1.00 H new ATOM 434 N GLN P 27 -3.065 3.343 19.762 1.00 1.00 N ATOM 435 CA GLN P 27 -2.053 2.616 18.990 1.00 1.00 C ATOM 436 C GLN P 27 -2.576 1.302 18.421 1.00 1.00 C ATOM 437 O GLN P 27 -2.159 0.893 17.347 1.00 1.00 O ATOM 438 CB GLN P 27 -0.841 2.338 19.882 1.00 1.00 C ATOM 439 CG GLN P 27 -0.163 3.662 20.242 1.00 1.00 C ATOM 440 CD GLN P 27 0.997 3.421 21.204 1.00 1.00 C ATOM 441 OE1 GLN P 27 0.787 2.974 22.331 1.00 1.00 O ATOM 442 NE2 GLN P 27 2.216 3.694 20.823 1.00 1.00 N ATOM 0 H GLN P 27 -3.085 3.119 20.757 1.00 1.00 H new ATOM 0 HA GLN P 27 -1.776 3.245 18.144 1.00 1.00 H new ATOM 0 HB2 GLN P 27 -1.153 1.818 20.788 1.00 1.00 H new ATOM 0 HB3 GLN P 27 -0.138 1.685 19.366 1.00 1.00 H new ATOM 0 HG2 GLN P 27 0.201 4.149 19.338 1.00 1.00 H new ATOM 0 HG3 GLN P 27 -0.888 4.337 20.698 1.00 1.00 H new ATOM 0 HE21 GLN P 27 2.387 4.064 19.888 1.00 1.00 H new ATOM 0 HE22 GLN P 27 2.997 3.537 21.460 1.00 1.00 H new ATOM 451 N ASN P 28 -3.481 0.638 19.123 1.00 1.00 N ATOM 452 CA ASN P 28 -4.009 -0.628 18.619 1.00 2.16 C ATOM 453 C ASN P 28 -4.734 -0.433 17.292 1.00 1.00 C ATOM 454 O ASN P 28 -4.455 -1.121 16.305 1.00 1.00 O ATOM 455 CB ASN P 28 -4.970 -1.231 19.645 1.00 1.00 C ATOM 456 CG ASN P 28 -4.216 -1.644 20.908 1.00 1.00 C ATOM 457 OD1 ASN P 28 -2.927 -1.861 20.859 1.00 1.00 O flip ATOM 458 ND2 ASN P 28 -4.819 -1.772 21.976 1.00 1.00 N flip ATOM 0 H ASN P 28 -3.860 0.941 20.020 1.00 1.00 H new ATOM 0 HA ASN P 28 -3.171 -1.305 18.455 1.00 2.16 H new ATOM 0 HB2 ASN P 28 -5.744 -0.506 19.897 1.00 1.00 H new ATOM 0 HB3 ASN P 28 -5.473 -2.097 19.215 1.00 1.00 H new ATOM 0 HD21 ASN P 28 -5.824 -1.603 22.018 1.00 1.00 H new ATOM 0 HD22 ASN P 28 -4.313 -2.046 22.818 1.00 1.00 H new ATOM 465 N LEU P 29 -5.659 0.506 17.277 1.00 1.00 N ATOM 466 CA LEU P 29 -6.427 0.794 16.077 1.00 2.41 C ATOM 467 C LEU P 29 -5.536 1.410 15.033 1.00 1.00 C ATOM 468 O LEU P 29 -5.624 1.070 13.852 1.00 1.00 O ATOM 469 CB LEU P 29 -7.563 1.767 16.387 1.00 1.00 C ATOM 470 CG LEU P 29 -8.338 1.269 17.598 1.00 1.00 C ATOM 471 CD1 LEU P 29 -9.395 2.304 17.997 1.00 1.00 C ATOM 472 CD2 LEU P 29 -9.017 -0.076 17.277 1.00 1.00 C ATOM 0 H LEU P 29 -5.899 1.084 18.082 1.00 1.00 H new ATOM 0 HA LEU P 29 -6.843 -0.143 15.707 1.00 2.41 H new ATOM 0 HB2 LEU P 29 -7.162 2.762 16.582 1.00 1.00 H new ATOM 0 HB3 LEU P 29 -8.227 1.854 15.527 1.00 1.00 H new ATOM 0 HG LEU P 29 -7.645 1.124 18.427 1.00 1.00 H new ATOM 0 HD11 LEU P 29 -9.948 1.944 18.865 1.00 1.00 H new ATOM 0 HD12 LEU P 29 -8.906 3.246 18.244 1.00 1.00 H new ATOM 0 HD13 LEU P 29 -10.084 2.459 17.167 1.00 1.00 H new ATOM 0 HD21 LEU P 29 -9.569 -0.423 18.151 1.00 1.00 H new ATOM 0 HD22 LEU P 29 -9.705 0.054 16.442 1.00 1.00 H new ATOM 0 HD23 LEU P 29 -8.258 -0.812 17.011 1.00 1.00 H new ATOM 484 N GLN P 30 -4.671 2.323 15.463 1.00 1.00 N ATOM 485 CA GLN P 30 -3.770 2.968 14.512 1.00 3.22 C ATOM 486 C GLN P 30 -2.703 1.998 14.014 1.00 1.00 C ATOM 487 O GLN P 30 -2.213 2.128 12.895 1.00 1.00 O ATOM 488 CB GLN P 30 -3.105 4.195 15.137 1.00 1.00 C ATOM 489 CG GLN P 30 -4.167 5.262 15.429 1.00 1.00 C ATOM 490 CD GLN P 30 -4.709 5.834 14.125 1.00 1.00 C ATOM 491 OE1 GLN P 30 -3.940 6.181 13.230 1.00 1.00 O ATOM 492 NE2 GLN P 30 -6.000 5.956 13.964 1.00 1.00 N ATOM 0 H GLN P 30 -4.574 2.627 16.432 1.00 1.00 H new ATOM 0 HA GLN P 30 -4.371 3.287 13.660 1.00 3.22 H new ATOM 0 HB2 GLN P 30 -2.594 3.915 16.058 1.00 1.00 H new ATOM 0 HB3 GLN P 30 -2.349 4.595 14.462 1.00 1.00 H new ATOM 0 HG2 GLN P 30 -4.980 4.827 16.010 1.00 1.00 H new ATOM 0 HG3 GLN P 30 -3.735 6.060 16.033 1.00 1.00 H new ATOM 0 HE21 GLN P 30 -6.636 5.668 14.707 1.00 1.00 H new ATOM 0 HE22 GLN P 30 -6.372 6.340 13.095 1.00 1.00 H new ATOM 501 N ASN P 31 -2.343 1.023 14.838 1.00 1.00 N ATOM 502 CA ASN P 31 -1.329 0.056 14.430 1.00 2.56 C ATOM 503 C ASN P 31 -1.828 -0.735 13.234 1.00 1.00 C ATOM 504 O ASN P 31 -1.084 -0.990 12.290 1.00 1.00 O ATOM 505 CB ASN P 31 -0.982 -0.899 15.583 1.00 1.00 C ATOM 506 CG ASN P 31 -0.068 -2.018 15.093 1.00 1.00 C ATOM 507 OD1 ASN P 31 0.932 -1.753 14.426 1.00 1.00 O ATOM 508 ND2 ASN P 31 -0.351 -3.257 15.384 1.00 1.00 N ATOM 0 H ASN P 31 -2.727 0.880 15.772 1.00 1.00 H new ATOM 0 HA ASN P 31 -0.425 0.600 14.156 1.00 2.56 H new ATOM 0 HB2 ASN P 31 -0.493 -0.347 16.386 1.00 1.00 H new ATOM 0 HB3 ASN P 31 -1.896 -1.324 15.999 1.00 1.00 H new ATOM 0 HD21 ASN P 31 0.257 -4.009 15.059 1.00 1.00 H new ATOM 0 HD22 ASN P 31 -1.180 -3.474 15.937 1.00 1.00 H new ATOM 515 N LEU P 32 -3.093 -1.118 13.286 1.00 1.00 N ATOM 516 CA LEU P 32 -3.689 -1.877 12.207 1.00 2.24 C ATOM 517 C LEU P 32 -3.760 -1.028 10.956 1.00 1.00 C ATOM 518 O LEU P 32 -3.388 -1.477 9.889 1.00 1.00 O ATOM 519 CB LEU P 32 -5.097 -2.334 12.591 1.00 1.00 C ATOM 520 CG LEU P 32 -5.040 -3.359 13.733 1.00 1.00 C ATOM 521 CD1 LEU P 32 -6.465 -3.601 14.245 1.00 1.00 C ATOM 522 CD2 LEU P 32 -4.425 -4.694 13.240 1.00 1.00 C ATOM 0 H LEU P 32 -3.723 -0.915 14.062 1.00 1.00 H new ATOM 0 HA LEU P 32 -3.069 -2.754 12.018 1.00 2.24 H new ATOM 0 HB2 LEU P 32 -5.694 -1.474 12.896 1.00 1.00 H new ATOM 0 HB3 LEU P 32 -5.591 -2.774 11.725 1.00 1.00 H new ATOM 0 HG LEU P 32 -4.412 -2.972 14.535 1.00 1.00 H new ATOM 0 HD11 LEU P 32 -6.441 -4.328 15.057 1.00 1.00 H new ATOM 0 HD12 LEU P 32 -6.885 -2.663 14.609 1.00 1.00 H new ATOM 0 HD13 LEU P 32 -7.083 -3.984 13.433 1.00 1.00 H new ATOM 0 HD21 LEU P 32 -4.394 -5.406 14.064 1.00 1.00 H new ATOM 0 HD22 LEU P 32 -5.035 -5.099 12.433 1.00 1.00 H new ATOM 0 HD23 LEU P 32 -3.413 -4.516 12.876 1.00 1.00 H new ATOM 534 N PHE P 33 -4.236 0.201 11.099 1.00 1.00 N ATOM 535 CA PHE P 33 -4.345 1.105 9.955 1.00 2.61 C ATOM 536 C PHE P 33 -2.960 1.427 9.408 1.00 1.00 C ATOM 537 O PHE P 33 -2.712 1.333 8.206 1.00 1.00 O ATOM 538 CB PHE P 33 -5.050 2.402 10.371 1.00 1.00 C ATOM 539 CG PHE P 33 -5.123 3.350 9.191 1.00 1.00 C ATOM 540 CD1 PHE P 33 -6.051 3.122 8.166 1.00 1.00 C ATOM 541 CD2 PHE P 33 -4.262 4.454 9.121 1.00 1.00 C ATOM 542 CE1 PHE P 33 -6.118 3.998 7.074 1.00 1.00 C ATOM 543 CE2 PHE P 33 -4.331 5.328 8.030 1.00 1.00 C ATOM 544 CZ PHE P 33 -5.259 5.101 7.006 1.00 1.00 C ATOM 0 H PHE P 33 -4.551 0.595 11.985 1.00 1.00 H new ATOM 0 HA PHE P 33 -4.931 0.614 9.178 1.00 2.61 H new ATOM 0 HB2 PHE P 33 -6.054 2.181 10.733 1.00 1.00 H new ATOM 0 HB3 PHE P 33 -4.511 2.872 11.193 1.00 1.00 H new ATOM 0 HD1 PHE P 33 -6.714 2.271 8.218 1.00 1.00 H new ATOM 0 HD2 PHE P 33 -3.545 4.630 9.909 1.00 1.00 H new ATOM 0 HE1 PHE P 33 -6.833 3.822 6.284 1.00 1.00 H new ATOM 0 HE2 PHE P 33 -3.668 6.179 7.978 1.00 1.00 H new ATOM 0 HZ PHE P 33 -5.312 5.776 6.165 1.00 1.00 H new ATOM 554 N ILE P 34 -2.065 1.808 10.313 1.00 1.00 N ATOM 555 CA ILE P 34 -0.702 2.144 9.926 1.00 2.57 C ATOM 556 C ILE P 34 -0.006 0.916 9.345 1.00 1.00 C ATOM 557 O ILE P 34 0.636 0.997 8.302 1.00 1.00 O ATOM 558 CB ILE P 34 0.071 2.666 11.144 1.00 1.00 C ATOM 559 CG1 ILE P 34 -0.504 4.025 11.558 1.00 1.00 C ATOM 560 CG2 ILE P 34 1.554 2.829 10.797 1.00 1.00 C ATOM 561 CD1 ILE P 34 0.019 4.401 12.945 1.00 1.00 C ATOM 0 H ILE P 34 -2.257 1.891 11.311 1.00 1.00 H new ATOM 0 HA ILE P 34 -0.729 2.923 9.164 1.00 2.57 H new ATOM 0 HB ILE P 34 -0.026 1.953 11.963 1.00 1.00 H new ATOM 0 HG12 ILE P 34 -0.221 4.787 10.832 1.00 1.00 H new ATOM 0 HG13 ILE P 34 -1.593 3.983 11.568 1.00 1.00 H new ATOM 0 HG21 ILE P 34 2.093 3.200 11.669 1.00 1.00 H new ATOM 0 HG22 ILE P 34 1.966 1.865 10.499 1.00 1.00 H new ATOM 0 HG23 ILE P 34 1.660 3.538 9.976 1.00 1.00 H new ATOM 0 HD11 ILE P 34 -0.390 5.368 13.239 1.00 1.00 H new ATOM 0 HD12 ILE P 34 -0.286 3.643 13.667 1.00 1.00 H new ATOM 0 HD13 ILE P 34 1.107 4.460 12.920 1.00 1.00 H new ATOM 573 N ASN P 35 -0.138 -0.221 10.024 1.00 1.00 N ATOM 574 CA ASN P 35 0.484 -1.445 9.554 1.00 2.66 C ATOM 575 C ASN P 35 -0.183 -1.899 8.274 1.00 1.00 C ATOM 576 O ASN P 35 0.477 -2.295 7.313 1.00 1.00 O ATOM 577 CB ASN P 35 0.356 -2.546 10.609 1.00 1.00 C ATOM 578 CG ASN P 35 1.039 -3.822 10.126 1.00 1.00 C ATOM 579 OD1 ASN P 35 2.186 -3.781 9.680 1.00 1.00 O ATOM 580 ND2 ASN P 35 0.402 -4.960 10.191 1.00 1.00 N ATOM 0 H ASN P 35 -0.665 -0.315 10.892 1.00 1.00 H new ATOM 0 HA ASN P 35 1.540 -1.250 9.369 1.00 2.66 H new ATOM 0 HB2 ASN P 35 0.806 -2.216 11.545 1.00 1.00 H new ATOM 0 HB3 ASN P 35 -0.696 -2.743 10.813 1.00 1.00 H new ATOM 0 HD21 ASN P 35 0.855 -5.817 9.872 1.00 1.00 H new ATOM 0 HD22 ASN P 35 -0.548 -4.992 10.561 1.00 1.00 H new ATOM 587 N PHE P 36 -1.504 -1.843 8.275 1.00 1.00 N ATOM 588 CA PHE P 36 -2.269 -2.260 7.106 1.00 2.68 C ATOM 589 C PHE P 36 -2.083 -1.319 5.929 1.00 1.00 C ATOM 590 O PHE P 36 -2.090 -1.751 4.771 1.00 1.00 O ATOM 591 CB PHE P 36 -3.764 -2.365 7.429 1.00 1.00 C ATOM 592 CG PHE P 36 -4.515 -2.862 6.212 1.00 1.00 C ATOM 593 CD1 PHE P 36 -4.315 -4.171 5.761 1.00 1.00 C ATOM 594 CD2 PHE P 36 -5.411 -2.019 5.535 1.00 1.00 C ATOM 595 CE1 PHE P 36 -5.005 -4.638 4.638 1.00 1.00 C ATOM 596 CE2 PHE P 36 -6.101 -2.488 4.413 1.00 1.00 C ATOM 597 CZ PHE P 36 -5.898 -3.798 3.964 1.00 1.00 C ATOM 0 H PHE P 36 -2.066 -1.517 9.061 1.00 1.00 H new ATOM 0 HA PHE P 36 -1.885 -3.241 6.828 1.00 2.68 H new ATOM 0 HB2 PHE P 36 -3.918 -3.046 8.266 1.00 1.00 H new ATOM 0 HB3 PHE P 36 -4.149 -1.392 7.734 1.00 1.00 H new ATOM 0 HD1 PHE P 36 -3.627 -4.821 6.281 1.00 1.00 H new ATOM 0 HD2 PHE P 36 -5.567 -1.008 5.881 1.00 1.00 H new ATOM 0 HE1 PHE P 36 -4.848 -5.648 4.290 1.00 1.00 H new ATOM 0 HE2 PHE P 36 -6.790 -1.840 3.893 1.00 1.00 H new ATOM 0 HZ PHE P 36 -6.431 -4.160 3.097 1.00 1.00 H new ATOM 607 N ALA P 37 -1.907 -0.036 6.209 1.00 1.00 N ATOM 608 CA ALA P 37 -1.714 0.936 5.148 1.00 1.89 C ATOM 609 C ALA P 37 -0.308 0.812 4.579 1.00 1.00 C ATOM 610 O ALA P 37 -0.091 0.980 3.385 1.00 1.00 O ATOM 611 CB ALA P 37 -1.928 2.352 5.688 1.00 1.00 C ATOM 0 H ALA P 37 -1.894 0.351 7.152 1.00 1.00 H new ATOM 0 HA ALA P 37 -2.439 0.742 4.358 1.00 1.89 H new ATOM 0 HB1 ALA P 37 -1.781 3.074 4.885 1.00 1.00 H new ATOM 0 HB2 ALA P 37 -2.942 2.444 6.077 1.00 1.00 H new ATOM 0 HB3 ALA P 37 -1.214 2.548 6.487 1.00 1.00 H new ATOM 617 N LEU P 38 0.646 0.516 5.453 1.00 1.00 N ATOM 618 CA LEU P 38 2.035 0.371 5.037 1.00 1.92 C ATOM 619 C LEU P 38 2.173 -0.772 4.036 1.00 1.00 C ATOM 620 O LEU P 38 2.943 -0.677 3.080 1.00 1.00 O ATOM 621 CB LEU P 38 2.932 0.126 6.266 1.00 1.00 C ATOM 622 CG LEU P 38 3.226 1.452 7.007 1.00 1.00 C ATOM 623 CD1 LEU P 38 3.702 1.143 8.432 1.00 1.00 C ATOM 624 CD2 LEU P 38 4.333 2.255 6.287 1.00 1.00 C ATOM 0 H LEU P 38 0.484 0.372 6.450 1.00 1.00 H new ATOM 0 HA LEU P 38 2.355 1.293 4.551 1.00 1.92 H new ATOM 0 HB2 LEU P 38 2.444 -0.574 6.944 1.00 1.00 H new ATOM 0 HB3 LEU P 38 3.868 -0.335 5.952 1.00 1.00 H new ATOM 0 HG LEU P 38 2.310 2.042 7.024 1.00 1.00 H new ATOM 0 HD11 LEU P 38 3.910 2.076 8.956 1.00 1.00 H new ATOM 0 HD12 LEU P 38 2.926 0.593 8.964 1.00 1.00 H new ATOM 0 HD13 LEU P 38 4.609 0.540 8.390 1.00 1.00 H new ATOM 0 HD21 LEU P 38 4.520 3.182 6.828 1.00 1.00 H new ATOM 0 HD22 LEU P 38 5.248 1.664 6.253 1.00 1.00 H new ATOM 0 HD23 LEU P 38 4.013 2.486 5.271 1.00 1.00 H new ATOM 636 N ILE P 39 1.424 -1.846 4.244 1.00 1.00 N ATOM 637 CA ILE P 39 1.490 -2.973 3.325 1.00 3.04 C ATOM 638 C ILE P 39 0.941 -2.536 1.966 1.00 1.00 C ATOM 639 O ILE P 39 1.514 -2.844 0.923 1.00 1.00 O ATOM 640 CB ILE P 39 0.670 -4.155 3.868 1.00 1.00 C ATOM 641 CG1 ILE P 39 1.327 -4.729 5.144 1.00 1.00 C ATOM 642 CG2 ILE P 39 0.546 -5.256 2.809 1.00 1.00 C ATOM 643 CD1 ILE P 39 2.771 -5.208 4.886 1.00 1.00 C ATOM 0 H ILE P 39 0.777 -1.961 5.024 1.00 1.00 H new ATOM 0 HA ILE P 39 2.526 -3.295 3.219 1.00 3.04 H new ATOM 0 HB ILE P 39 -0.327 -3.790 4.116 1.00 1.00 H new ATOM 0 HG12 ILE P 39 1.332 -3.967 5.923 1.00 1.00 H new ATOM 0 HG13 ILE P 39 0.730 -5.562 5.516 1.00 1.00 H new ATOM 0 HG21 ILE P 39 -0.037 -6.084 3.212 1.00 1.00 H new ATOM 0 HG22 ILE P 39 0.048 -4.857 1.926 1.00 1.00 H new ATOM 0 HG23 ILE P 39 1.539 -5.611 2.536 1.00 1.00 H new ATOM 0 HD11 ILE P 39 3.194 -5.603 5.810 1.00 1.00 H new ATOM 0 HD12 ILE P 39 2.765 -5.989 4.126 1.00 1.00 H new ATOM 0 HD13 ILE P 39 3.376 -4.370 4.540 1.00 1.00 H new ATOM 655 N LEU P 40 -0.180 -1.811 1.998 1.00 1.00 N ATOM 656 CA LEU P 40 -0.801 -1.331 0.763 1.00 2.73 C ATOM 657 C LEU P 40 0.087 -0.294 0.071 1.00 1.00 C ATOM 658 O LEU P 40 0.338 -0.378 -1.128 1.00 1.00 O ATOM 659 CB LEU P 40 -2.168 -0.703 1.058 1.00 1.00 C ATOM 660 CG LEU P 40 -3.174 -1.778 1.509 1.00 1.00 C ATOM 661 CD1 LEU P 40 -4.462 -1.095 1.996 1.00 1.00 C ATOM 662 CD2 LEU P 40 -3.501 -2.744 0.337 1.00 1.00 C ATOM 0 H LEU P 40 -0.670 -1.547 2.853 1.00 1.00 H new ATOM 0 HA LEU P 40 -0.928 -2.189 0.103 1.00 2.73 H new ATOM 0 HB2 LEU P 40 -2.066 0.055 1.834 1.00 1.00 H new ATOM 0 HB3 LEU P 40 -2.542 -0.198 0.167 1.00 1.00 H new ATOM 0 HG LEU P 40 -2.735 -2.357 2.321 1.00 1.00 H new ATOM 0 HD11 LEU P 40 -5.177 -1.853 2.316 1.00 1.00 H new ATOM 0 HD12 LEU P 40 -4.231 -0.437 2.834 1.00 1.00 H new ATOM 0 HD13 LEU P 40 -4.893 -0.510 1.184 1.00 1.00 H new ATOM 0 HD21 LEU P 40 -4.213 -3.497 0.674 1.00 1.00 H new ATOM 0 HD22 LEU P 40 -3.933 -2.180 -0.490 1.00 1.00 H new ATOM 0 HD23 LEU P 40 -2.586 -3.234 0.003 1.00 1.00 H new ATOM 674 N ILE P 41 0.554 0.685 0.838 1.00 1.00 N ATOM 675 CA ILE P 41 1.400 1.728 0.291 1.00 1.82 C ATOM 676 C ILE P 41 2.704 1.142 -0.252 1.00 1.00 C ATOM 677 O ILE P 41 3.115 1.468 -1.362 1.00 1.00 O ATOM 678 CB ILE P 41 1.672 2.768 1.386 1.00 1.00 C ATOM 679 CG1 ILE P 41 0.379 3.559 1.715 1.00 1.00 C ATOM 680 CG2 ILE P 41 2.781 3.725 0.961 1.00 1.00 C ATOM 681 CD1 ILE P 41 -0.160 4.340 0.498 1.00 1.00 C ATOM 0 H ILE P 41 0.360 0.774 1.835 1.00 1.00 H new ATOM 0 HA ILE P 41 0.893 2.210 -0.545 1.00 1.82 H new ATOM 0 HB ILE P 41 1.998 2.240 2.282 1.00 1.00 H new ATOM 0 HG12 ILE P 41 -0.387 2.868 2.067 1.00 1.00 H new ATOM 0 HG13 ILE P 41 0.580 4.255 2.530 1.00 1.00 H new ATOM 0 HG21 ILE P 41 2.956 4.453 1.753 1.00 1.00 H new ATOM 0 HG22 ILE P 41 3.696 3.162 0.776 1.00 1.00 H new ATOM 0 HG23 ILE P 41 2.484 4.244 0.050 1.00 1.00 H new ATOM 0 HD11 ILE P 41 -1.066 4.876 0.782 1.00 1.00 H new ATOM 0 HD12 ILE P 41 0.593 5.052 0.160 1.00 1.00 H new ATOM 0 HD13 ILE P 41 -0.388 3.644 -0.309 1.00 1.00 H new ATOM 693 N PHE P 42 3.351 0.285 0.522 1.00 1.00 N ATOM 694 CA PHE P 42 4.604 -0.314 0.074 1.00 2.37 C ATOM 695 C PHE P 42 4.405 -1.049 -1.251 1.00 1.00 C ATOM 696 O PHE P 42 5.203 -0.907 -2.180 1.00 1.00 O ATOM 697 CB PHE P 42 5.125 -1.290 1.132 1.00 1.00 C ATOM 698 CG PHE P 42 6.410 -1.923 0.643 1.00 1.00 C ATOM 699 CD1 PHE P 42 7.601 -1.188 0.661 1.00 1.00 C ATOM 700 CD2 PHE P 42 6.408 -3.242 0.171 1.00 1.00 C ATOM 701 CE1 PHE P 42 8.791 -1.772 0.208 1.00 1.00 C ATOM 702 CE2 PHE P 42 7.597 -3.825 -0.281 1.00 1.00 C ATOM 703 CZ PHE P 42 8.788 -3.091 -0.263 1.00 1.00 C ATOM 0 H PHE P 42 3.039 -0.009 1.447 1.00 1.00 H new ATOM 0 HA PHE P 42 5.333 0.482 -0.073 1.00 2.37 H new ATOM 0 HB2 PHE P 42 5.300 -0.766 2.072 1.00 1.00 H new ATOM 0 HB3 PHE P 42 4.380 -2.060 1.330 1.00 1.00 H new ATOM 0 HD1 PHE P 42 7.603 -0.171 1.024 1.00 1.00 H new ATOM 0 HD2 PHE P 42 5.489 -3.809 0.156 1.00 1.00 H new ATOM 0 HE1 PHE P 42 9.710 -1.205 0.222 1.00 1.00 H new ATOM 0 HE2 PHE P 42 7.595 -4.842 -0.644 1.00 1.00 H new ATOM 0 HZ PHE P 42 9.705 -3.542 -0.612 1.00 1.00 H new ATOM 713 N LEU P 43 3.335 -1.833 -1.326 1.00 1.00 N ATOM 714 CA LEU P 43 3.022 -2.594 -2.533 1.00 2.60 C ATOM 715 C LEU P 43 2.678 -1.663 -3.695 1.00 1.00 C ATOM 716 O LEU P 43 3.096 -1.887 -4.826 1.00 1.00 O ATOM 717 CB LEU P 43 1.842 -3.538 -2.265 1.00 1.00 C ATOM 718 CG LEU P 43 2.262 -4.682 -1.323 1.00 1.00 C ATOM 719 CD1 LEU P 43 1.003 -5.405 -0.834 1.00 1.00 C ATOM 720 CD2 LEU P 43 3.185 -5.690 -2.054 1.00 1.00 C ATOM 0 H LEU P 43 2.668 -1.959 -0.565 1.00 1.00 H new ATOM 0 HA LEU P 43 3.903 -3.176 -2.805 1.00 2.60 H new ATOM 0 HB2 LEU P 43 1.017 -2.980 -1.822 1.00 1.00 H new ATOM 0 HB3 LEU P 43 1.479 -3.950 -3.206 1.00 1.00 H new ATOM 0 HG LEU P 43 2.812 -4.263 -0.480 1.00 1.00 H new ATOM 0 HD11 LEU P 43 1.287 -6.218 -0.166 1.00 1.00 H new ATOM 0 HD12 LEU P 43 0.364 -4.702 -0.299 1.00 1.00 H new ATOM 0 HD13 LEU P 43 0.461 -5.810 -1.689 1.00 1.00 H new ATOM 0 HD21 LEU P 43 3.468 -6.488 -1.368 1.00 1.00 H new ATOM 0 HD22 LEU P 43 2.656 -6.115 -2.907 1.00 1.00 H new ATOM 0 HD23 LEU P 43 4.081 -5.176 -2.402 1.00 1.00 H new ATOM 732 N LEU P 44 1.916 -0.615 -3.418 1.00 1.00 N ATOM 733 CA LEU P 44 1.539 0.329 -4.461 1.00 2.27 C ATOM 734 C LEU P 44 2.757 1.098 -4.969 1.00 1.00 C ATOM 735 O LEU P 44 2.871 1.367 -6.164 1.00 1.00 O ATOM 736 CB LEU P 44 0.485 1.313 -3.937 1.00 1.00 C ATOM 737 CG LEU P 44 -0.871 0.607 -3.736 1.00 1.00 C ATOM 738 CD1 LEU P 44 -1.779 1.495 -2.879 1.00 1.00 C ATOM 739 CD2 LEU P 44 -1.563 0.339 -5.096 1.00 1.00 C ATOM 0 H LEU P 44 1.550 -0.398 -2.491 1.00 1.00 H new ATOM 0 HA LEU P 44 1.117 -0.239 -5.290 1.00 2.27 H new ATOM 0 HB2 LEU P 44 0.820 1.743 -2.993 1.00 1.00 H new ATOM 0 HB3 LEU P 44 0.370 2.138 -4.640 1.00 1.00 H new ATOM 0 HG LEU P 44 -0.694 -0.348 -3.240 1.00 1.00 H new ATOM 0 HD11 LEU P 44 -2.739 1.000 -2.734 1.00 1.00 H new ATOM 0 HD12 LEU P 44 -1.310 1.668 -1.911 1.00 1.00 H new ATOM 0 HD13 LEU P 44 -1.935 2.449 -3.382 1.00 1.00 H new ATOM 0 HD21 LEU P 44 -2.517 -0.160 -4.927 1.00 1.00 H new ATOM 0 HD22 LEU P 44 -1.734 1.285 -5.610 1.00 1.00 H new ATOM 0 HD23 LEU P 44 -0.925 -0.297 -5.710 1.00 1.00 H new ATOM 751 N LEU P 45 3.663 1.459 -4.059 1.00 1.00 N ATOM 752 CA LEU P 45 4.861 2.209 -4.441 1.00 2.44 C ATOM 753 C LEU P 45 5.764 1.433 -5.392 1.00 1.00 C ATOM 754 O LEU P 45 6.283 2.001 -6.351 1.00 1.00 O ATOM 755 CB LEU P 45 5.654 2.619 -3.192 1.00 1.00 C ATOM 756 CG LEU P 45 4.920 3.736 -2.425 1.00 1.00 C ATOM 757 CD1 LEU P 45 5.535 3.866 -1.027 1.00 1.00 C ATOM 758 CD2 LEU P 45 5.045 5.092 -3.170 1.00 1.00 C ATOM 0 H LEU P 45 3.592 1.247 -3.064 1.00 1.00 H new ATOM 0 HA LEU P 45 4.518 3.097 -4.971 1.00 2.44 H new ATOM 0 HB2 LEU P 45 5.792 1.755 -2.542 1.00 1.00 H new ATOM 0 HB3 LEU P 45 6.647 2.962 -3.482 1.00 1.00 H new ATOM 0 HG LEU P 45 3.863 3.478 -2.353 1.00 1.00 H new ATOM 0 HD11 LEU P 45 5.022 4.654 -0.476 1.00 1.00 H new ATOM 0 HD12 LEU P 45 5.428 2.922 -0.493 1.00 1.00 H new ATOM 0 HD13 LEU P 45 6.592 4.115 -1.116 1.00 1.00 H new ATOM 0 HD21 LEU P 45 4.519 5.865 -2.610 1.00 1.00 H new ATOM 0 HD22 LEU P 45 6.097 5.362 -3.260 1.00 1.00 H new ATOM 0 HD23 LEU P 45 4.607 5.003 -4.164 1.00 1.00 H new ATOM 770 N ILE P 46 5.963 0.149 -5.146 1.00 1.00 N ATOM 771 CA ILE P 46 6.824 -0.624 -6.037 1.00 2.27 C ATOM 772 C ILE P 46 6.174 -0.690 -7.420 1.00 1.00 C ATOM 773 O ILE P 46 6.850 -0.593 -8.443 1.00 1.00 O ATOM 774 CB ILE P 46 7.115 -2.042 -5.458 1.00 1.00 C ATOM 775 CG1 ILE P 46 8.477 -2.547 -5.966 1.00 1.00 C ATOM 776 CG2 ILE P 46 6.035 -3.060 -5.867 1.00 1.00 C ATOM 777 CD1 ILE P 46 8.803 -3.890 -5.312 1.00 1.00 C ATOM 0 H ILE P 46 5.558 -0.370 -4.366 1.00 1.00 H new ATOM 0 HA ILE P 46 7.791 -0.129 -6.127 1.00 2.27 H new ATOM 0 HB ILE P 46 7.119 -1.952 -4.372 1.00 1.00 H new ATOM 0 HG12 ILE P 46 8.455 -2.655 -7.050 1.00 1.00 H new ATOM 0 HG13 ILE P 46 9.255 -1.820 -5.734 1.00 1.00 H new ATOM 0 HG21 ILE P 46 6.275 -4.035 -5.443 1.00 1.00 H new ATOM 0 HG22 ILE P 46 5.065 -2.731 -5.494 1.00 1.00 H new ATOM 0 HG23 ILE P 46 5.999 -3.136 -6.954 1.00 1.00 H new ATOM 0 HD11 ILE P 46 9.768 -4.246 -5.673 1.00 1.00 H new ATOM 0 HD12 ILE P 46 8.843 -3.767 -4.230 1.00 1.00 H new ATOM 0 HD13 ILE P 46 8.030 -4.616 -5.566 1.00 1.00 H new ATOM 789 N ALA P 47 4.854 -0.848 -7.430 1.00 1.00 N ATOM 790 CA ALA P 47 4.109 -0.921 -8.683 1.00 1.87 C ATOM 791 C ALA P 47 4.334 0.349 -9.507 1.00 1.00 C ATOM 792 O ALA P 47 4.636 0.280 -10.699 1.00 1.00 O ATOM 793 CB ALA P 47 2.615 -1.084 -8.395 1.00 1.00 C ATOM 0 H ALA P 47 4.281 -0.928 -6.590 1.00 1.00 H new ATOM 0 HA ALA P 47 4.464 -1.782 -9.249 1.00 1.87 H new ATOM 0 HB1 ALA P 47 2.067 -1.138 -9.336 1.00 1.00 H new ATOM 0 HB2 ALA P 47 2.452 -2.000 -7.827 1.00 1.00 H new ATOM 0 HB3 ALA P 47 2.261 -0.231 -7.817 1.00 1.00 H new ATOM 799 N ILE P 48 4.178 1.507 -8.863 1.00 1.00 N ATOM 800 CA ILE P 48 4.362 2.789 -9.545 1.00 3.31 C ATOM 801 C ILE P 48 5.806 2.945 -10.025 1.00 1.00 C ATOM 802 O ILE P 48 6.043 3.378 -11.150 1.00 1.00 O ATOM 803 CB ILE P 48 4.004 3.949 -8.595 1.00 1.00 C ATOM 804 CG1 ILE P 48 2.495 3.925 -8.255 1.00 1.00 C ATOM 805 CG2 ILE P 48 4.370 5.296 -9.231 1.00 1.00 C ATOM 806 CD1 ILE P 48 1.616 4.035 -9.515 1.00 1.00 C ATOM 0 H ILE P 48 3.927 1.584 -7.877 1.00 1.00 H new ATOM 0 HA ILE P 48 3.701 2.813 -10.411 1.00 3.31 H new ATOM 0 HB ILE P 48 4.576 3.824 -7.676 1.00 1.00 H new ATOM 0 HG12 ILE P 48 2.257 3.001 -7.727 1.00 1.00 H new ATOM 0 HG13 ILE P 48 2.263 4.748 -7.579 1.00 1.00 H new ATOM 0 HG21 ILE P 48 4.111 6.104 -8.547 1.00 1.00 H new ATOM 0 HG22 ILE P 48 5.440 5.323 -9.435 1.00 1.00 H new ATOM 0 HG23 ILE P 48 3.820 5.420 -10.164 1.00 1.00 H new ATOM 0 HD11 ILE P 48 0.565 4.014 -9.228 1.00 1.00 H new ATOM 0 HD12 ILE P 48 1.833 4.971 -10.030 1.00 1.00 H new ATOM 0 HD13 ILE P 48 1.827 3.198 -10.180 1.00 1.00 H new ATOM 818 N ILE P 49 6.763 2.590 -9.175 1.00 1.00 N ATOM 819 CA ILE P 49 8.171 2.703 -9.542 1.00 1.00 C ATOM 820 C ILE P 49 8.477 1.793 -10.718 1.00 1.00 C ATOM 821 O ILE P 49 9.156 2.188 -11.667 1.00 1.00 O ATOM 822 CB ILE P 49 9.046 2.325 -8.352 1.00 1.00 C ATOM 823 CG1 ILE P 49 8.891 3.374 -7.248 1.00 1.00 C ATOM 824 CG2 ILE P 49 10.520 2.258 -8.773 1.00 1.00 C ATOM 825 CD1 ILE P 49 9.496 2.841 -5.950 1.00 1.00 C ATOM 0 H ILE P 49 6.594 2.226 -8.238 1.00 1.00 H new ATOM 0 HA ILE P 49 8.382 3.733 -9.829 1.00 1.00 H new ATOM 0 HB ILE P 49 8.732 1.348 -7.985 1.00 1.00 H new ATOM 0 HG12 ILE P 49 9.387 4.300 -7.539 1.00 1.00 H new ATOM 0 HG13 ILE P 49 7.837 3.609 -7.101 1.00 1.00 H new ATOM 0 HG21 ILE P 49 11.132 1.987 -7.913 1.00 1.00 H new ATOM 0 HG22 ILE P 49 10.641 1.509 -9.555 1.00 1.00 H new ATOM 0 HG23 ILE P 49 10.835 3.231 -9.151 1.00 1.00 H new ATOM 0 HD11 ILE P 49 9.386 3.588 -5.164 1.00 1.00 H new ATOM 0 HD12 ILE P 49 8.980 1.927 -5.657 1.00 1.00 H new ATOM 0 HD13 ILE P 49 10.554 2.628 -6.102 1.00 1.00 H new ATOM 837 N VAL P 50 7.968 0.576 -10.651 1.00 1.00 N ATOM 838 CA VAL P 50 8.193 -0.374 -11.722 1.00 1.00 C ATOM 839 C VAL P 50 7.576 0.186 -12.992 1.00 1.00 C ATOM 840 O VAL P 50 8.179 0.139 -14.063 1.00 1.00 O ATOM 841 CB VAL P 50 7.572 -1.737 -11.372 1.00 1.00 C ATOM 842 CG1 VAL P 50 7.579 -2.649 -12.607 1.00 1.00 C ATOM 843 CG2 VAL P 50 8.391 -2.401 -10.250 1.00 1.00 C ATOM 0 H VAL P 50 7.403 0.227 -9.877 1.00 1.00 H new ATOM 0 HA VAL P 50 9.262 -0.527 -11.867 1.00 1.00 H new ATOM 0 HB VAL P 50 6.545 -1.585 -11.041 1.00 1.00 H new ATOM 0 HG11 VAL P 50 7.138 -3.612 -12.351 1.00 1.00 H new ATOM 0 HG12 VAL P 50 6.999 -2.185 -13.405 1.00 1.00 H new ATOM 0 HG13 VAL P 50 8.605 -2.798 -12.943 1.00 1.00 H new ATOM 0 HG21 VAL P 50 7.951 -3.367 -10.001 1.00 1.00 H new ATOM 0 HG22 VAL P 50 9.418 -2.545 -10.586 1.00 1.00 H new ATOM 0 HG23 VAL P 50 8.384 -1.761 -9.367 1.00 1.00 H new ATOM 853 N MET P 51 6.366 0.722 -12.861 1.00 1.00 N ATOM 854 CA MET P 51 5.665 1.295 -13.997 1.00 1.00 C ATOM 855 C MET P 51 6.416 2.516 -14.527 1.00 1.00 C ATOM 856 O MET P 51 6.369 2.797 -15.725 1.00 1.00 O ATOM 857 CB MET P 51 4.238 1.700 -13.590 1.00 1.00 C ATOM 858 CG MET P 51 3.341 0.461 -13.493 1.00 1.00 C ATOM 859 SD MET P 51 3.070 -0.229 -15.154 1.00 1.00 S ATOM 860 CE MET P 51 3.929 -1.811 -14.932 1.00 1.00 C ATOM 0 H MET P 51 5.854 0.770 -11.980 1.00 1.00 H new ATOM 0 HA MET P 51 5.613 0.543 -14.785 1.00 1.00 H new ATOM 0 HB2 MET P 51 4.259 2.218 -12.631 1.00 1.00 H new ATOM 0 HB3 MET P 51 3.828 2.398 -14.320 1.00 1.00 H new ATOM 0 HG2 MET P 51 3.805 -0.286 -12.849 1.00 1.00 H new ATOM 0 HG3 MET P 51 2.386 0.726 -13.038 1.00 1.00 H new ATOM 0 HE1 MET P 51 4.108 -2.268 -15.905 1.00 1.00 H new ATOM 0 HE2 MET P 51 4.882 -1.641 -14.431 1.00 1.00 H new ATOM 0 HE3 MET P 51 3.314 -2.477 -14.326 1.00 1.00 H new ATOM 870 N LEU P 52 7.108 3.251 -13.646 1.00 1.00 N ATOM 871 CA LEU P 52 7.840 4.434 -14.102 1.00 1.00 C ATOM 872 C LEU P 52 8.907 4.044 -15.117 1.00 1.00 C ATOM 873 O LEU P 52 9.127 4.759 -16.095 1.00 1.00 O ATOM 874 CB LEU P 52 8.471 5.200 -12.915 1.00 1.00 C ATOM 875 CG LEU P 52 7.427 6.113 -12.228 1.00 1.00 C ATOM 876 CD1 LEU P 52 8.038 6.712 -10.949 1.00 1.00 C ATOM 877 CD2 LEU P 52 6.987 7.262 -13.186 1.00 1.00 C ATOM 0 H LEU P 52 7.175 3.055 -12.647 1.00 1.00 H new ATOM 0 HA LEU P 52 7.127 5.101 -14.586 1.00 1.00 H new ATOM 0 HB2 LEU P 52 8.872 4.490 -12.191 1.00 1.00 H new ATOM 0 HB3 LEU P 52 9.308 5.801 -13.269 1.00 1.00 H new ATOM 0 HG LEU P 52 6.550 5.517 -11.976 1.00 1.00 H new ATOM 0 HD11 LEU P 52 7.305 7.356 -10.463 1.00 1.00 H new ATOM 0 HD12 LEU P 52 8.322 5.908 -10.270 1.00 1.00 H new ATOM 0 HD13 LEU P 52 8.921 7.297 -11.207 1.00 1.00 H new ATOM 0 HD21 LEU P 52 6.253 7.893 -12.685 1.00 1.00 H new ATOM 0 HD22 LEU P 52 7.856 7.862 -13.458 1.00 1.00 H new ATOM 0 HD23 LEU P 52 6.544 6.836 -14.086 1.00 1.00 H new ATOM 889 N LEU P 53 9.568 2.922 -14.891 1.00 1.00 N ATOM 890 CA LEU P 53 10.606 2.469 -15.807 1.00 1.00 C ATOM 891 C LEU P 53 9.989 1.986 -17.114 1.00 1.00 C ATOM 892 O LEU P 53 10.378 2.495 -18.153 1.00 1.00 O ATOM 893 CB LEU P 53 11.408 1.335 -15.165 1.00 1.00 C ATOM 894 CG LEU P 53 11.942 1.772 -13.794 1.00 1.00 C ATOM 895 CD1 LEU P 53 12.685 0.600 -13.145 1.00 1.00 C ATOM 896 CD2 LEU P 53 12.902 2.969 -13.955 1.00 1.00 C ATOM 897 OXT LEU P 53 9.138 1.114 -17.058 1.00 1.00 O ATOM 0 H LEU P 53 9.408 2.311 -14.090 1.00 1.00 H new ATOM 0 HA LEU P 53 11.271 3.306 -16.021 1.00 1.00 H new ATOM 0 HB2 LEU P 53 10.778 0.453 -15.053 1.00 1.00 H new ATOM 0 HB3 LEU P 53 12.238 1.054 -15.814 1.00 1.00 H new ATOM 0 HG LEU P 53 11.106 2.073 -13.162 1.00 1.00 H new ATOM 0 HD11 LEU P 53 13.066 0.906 -12.171 1.00 1.00 H new ATOM 0 HD12 LEU P 53 12.001 -0.240 -13.020 1.00 1.00 H new ATOM 0 HD13 LEU P 53 13.517 0.299 -13.782 1.00 1.00 H new ATOM 0 HD21 LEU P 53 13.275 3.271 -12.976 1.00 1.00 H new ATOM 0 HD22 LEU P 53 13.740 2.680 -14.589 1.00 1.00 H new ATOM 0 HD23 LEU P 53 12.370 3.803 -14.413 1.00 1.00 H new