USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=9 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+ -121:sc= 0.141 (180deg=0) USER MOD Single : P 2 MET CE :methyl -155:sc= -0.156 (180deg=-0.813) USER MOD Single : P 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 6 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.34) USER MOD Single : P 7 TYR OH : rot 180:sc= 0 USER MOD Single : P 9 THR OG1 : rot 72:sc= 0.519 USER MOD Single : P 11 SER OG : rot -33:sc= 0.133 USER MOD Single : P 17 SER OG : rot 180:sc= -0.519 USER MOD Single : P 18 THR OG1 : rot 12:sc= 0.763 USER MOD Single : P 21 MET CE :methyl 154:sc=-0.00932 (180deg=-0.846) USER MOD Single : P 23 GLN : amide:sc= -0.0504 K(o=-0.05,f=-2!) USER MOD Single : P 24 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : P 27 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.28) USER MOD Single : P 28 ASN : amide:sc= -0.0799 K(o=-0.08,f=-1.1!) USER MOD Single : P 30 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : P 31 ASN : amide:sc= -1.48 K(o=-1.5,f=-3.6!) USER MOD Single : P 35 ASN : amide:sc= -0.072 K(o=-0.072,f=-2.3!) USER MOD Single : P 51 MET CE :methyl -100:sc= -0.32 (180deg=-1.35!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA P 1 -22.306 -29.791 10.495 1.00 1.00 N ATOM 2 CA ALA P 1 -21.393 -28.763 11.072 1.00 1.00 C ATOM 3 C ALA P 1 -20.970 -29.192 12.472 1.00 1.00 C ATOM 4 O ALA P 1 -21.221 -30.324 12.892 1.00 1.00 O ATOM 5 CB ALA P 1 -22.117 -27.414 11.132 1.00 1.00 C ATOM 0 H1 ALA P 1 -21.897 -30.163 9.614 1.00 1.00 H new ATOM 0 H2 ALA P 1 -22.428 -30.568 11.175 1.00 1.00 H new ATOM 0 H3 ALA P 1 -23.231 -29.360 10.293 1.00 1.00 H new ATOM 0 HA ALA P 1 -20.507 -28.664 10.445 1.00 1.00 H new ATOM 0 HB1 ALA P 1 -21.450 -26.662 11.554 1.00 1.00 H new ATOM 0 HB2 ALA P 1 -22.412 -27.114 10.126 1.00 1.00 H new ATOM 0 HB3 ALA P 1 -23.004 -27.505 11.759 1.00 1.00 H new ATOM 13 N MET P 2 -20.320 -28.280 13.203 1.00 1.00 N ATOM 14 CA MET P 2 -19.853 -28.556 14.569 1.00 1.00 C ATOM 15 C MET P 2 -20.366 -27.485 15.527 1.00 1.00 C ATOM 16 O MET P 2 -20.713 -26.376 15.114 1.00 1.00 O ATOM 17 CB MET P 2 -18.318 -28.580 14.590 1.00 1.00 C ATOM 18 CG MET P 2 -17.814 -29.251 15.875 1.00 1.00 C ATOM 19 SD MET P 2 -16.000 -29.228 15.902 1.00 1.00 S ATOM 20 CE MET P 2 -15.711 -30.421 14.566 1.00 1.00 C ATOM 0 H MET P 2 -20.104 -27.340 12.871 1.00 1.00 H new ATOM 0 HA MET P 2 -20.236 -29.525 14.888 1.00 1.00 H new ATOM 0 HB2 MET P 2 -17.944 -29.119 13.719 1.00 1.00 H new ATOM 0 HB3 MET P 2 -17.931 -27.563 14.526 1.00 1.00 H new ATOM 0 HG2 MET P 2 -18.207 -28.730 16.748 1.00 1.00 H new ATOM 0 HG3 MET P 2 -18.176 -30.278 15.927 1.00 1.00 H new ATOM 0 HE1 MET P 2 -14.734 -30.886 14.698 1.00 1.00 H new ATOM 0 HE2 MET P 2 -16.484 -31.189 14.590 1.00 1.00 H new ATOM 0 HE3 MET P 2 -15.741 -29.906 13.606 1.00 1.00 H new ATOM 30 N GLU P 3 -20.412 -27.820 16.809 1.00 1.00 N ATOM 31 CA GLU P 3 -20.882 -26.879 17.820 1.00 1.00 C ATOM 32 C GLU P 3 -19.946 -25.676 17.904 1.00 1.00 C ATOM 33 O GLU P 3 -20.385 -24.557 18.166 1.00 1.00 O ATOM 34 CB GLU P 3 -20.952 -27.570 19.182 1.00 1.00 C ATOM 35 CG GLU P 3 -21.553 -26.618 20.213 1.00 1.00 C ATOM 36 CD GLU P 3 -21.686 -27.322 21.557 1.00 1.00 C ATOM 37 OE1 GLU P 3 -21.097 -28.379 21.709 1.00 1.00 O ATOM 38 OE2 GLU P 3 -22.375 -26.793 22.415 1.00 1.00 O ATOM 0 H GLU P 3 -20.132 -28.730 17.174 1.00 1.00 H new ATOM 0 HA GLU P 3 -21.876 -26.534 17.537 1.00 1.00 H new ATOM 0 HB2 GLU P 3 -21.557 -28.474 19.111 1.00 1.00 H new ATOM 0 HB3 GLU P 3 -19.955 -27.878 19.496 1.00 1.00 H new ATOM 0 HG2 GLU P 3 -20.922 -25.735 20.316 1.00 1.00 H new ATOM 0 HG3 GLU P 3 -22.530 -26.273 19.875 1.00 1.00 H new ATOM 45 N LYS P 4 -18.657 -25.913 17.684 1.00 1.00 N ATOM 46 CA LYS P 4 -17.670 -24.840 17.740 1.00 1.00 C ATOM 47 C LYS P 4 -17.970 -23.781 16.691 1.00 1.00 C ATOM 48 O LYS P 4 -17.826 -22.583 16.942 1.00 1.00 O ATOM 49 CB LYS P 4 -16.265 -25.407 17.519 1.00 1.00 C ATOM 50 CG LYS P 4 -15.869 -26.262 18.722 1.00 1.00 C ATOM 51 CD LYS P 4 -14.463 -26.829 18.513 1.00 1.00 C ATOM 52 CE LYS P 4 -14.069 -27.670 19.728 1.00 1.00 C ATOM 53 NZ LYS P 4 -12.696 -28.221 19.531 1.00 1.00 N ATOM 0 H LYS P 4 -18.273 -26.832 17.467 1.00 1.00 H new ATOM 0 HA LYS P 4 -17.720 -24.378 18.726 1.00 1.00 H new ATOM 0 HB2 LYS P 4 -16.242 -26.007 16.609 1.00 1.00 H new ATOM 0 HB3 LYS P 4 -15.550 -24.595 17.384 1.00 1.00 H new ATOM 0 HG2 LYS P 4 -15.898 -25.662 19.632 1.00 1.00 H new ATOM 0 HG3 LYS P 4 -16.583 -27.075 18.853 1.00 1.00 H new ATOM 0 HD2 LYS P 4 -14.435 -27.439 17.610 1.00 1.00 H new ATOM 0 HD3 LYS P 4 -13.749 -26.018 18.371 1.00 1.00 H new ATOM 0 HE2 LYS P 4 -14.101 -27.060 20.631 1.00 1.00 H new ATOM 0 HE3 LYS P 4 -14.782 -28.483 19.867 1.00 1.00 H new ATOM 0 HZ1 LYS P 4 -12.429 -28.793 20.358 1.00 1.00 H new ATOM 0 HZ2 LYS P 4 -12.680 -28.817 18.679 1.00 1.00 H new ATOM 0 HZ3 LYS P 4 -12.021 -27.438 19.419 1.00 1.00 H new ATOM 67 N VAL P 5 -18.385 -24.225 15.515 1.00 1.00 N ATOM 68 CA VAL P 5 -18.701 -23.306 14.430 1.00 1.00 C ATOM 69 C VAL P 5 -19.844 -22.380 14.830 1.00 1.00 C ATOM 70 O VAL P 5 -19.781 -21.168 14.610 1.00 1.00 O ATOM 71 CB VAL P 5 -19.082 -24.097 13.175 1.00 1.00 C ATOM 72 CG1 VAL P 5 -19.565 -23.143 12.078 1.00 1.00 C ATOM 73 CG2 VAL P 5 -17.861 -24.871 12.673 1.00 1.00 C ATOM 0 H VAL P 5 -18.511 -25.211 15.287 1.00 1.00 H new ATOM 0 HA VAL P 5 -17.821 -22.698 14.219 1.00 1.00 H new ATOM 0 HB VAL P 5 -19.885 -24.792 13.422 1.00 1.00 H new ATOM 0 HG11 VAL P 5 -19.833 -23.716 11.190 1.00 1.00 H new ATOM 0 HG12 VAL P 5 -20.437 -22.593 12.432 1.00 1.00 H new ATOM 0 HG13 VAL P 5 -18.769 -22.441 11.830 1.00 1.00 H new ATOM 0 HG21 VAL P 5 -18.130 -25.435 11.780 1.00 1.00 H new ATOM 0 HG22 VAL P 5 -17.060 -24.172 12.433 1.00 1.00 H new ATOM 0 HG23 VAL P 5 -17.522 -25.559 13.448 1.00 1.00 H new ATOM 83 N GLN P 6 -20.882 -22.961 15.417 1.00 1.00 N ATOM 84 CA GLN P 6 -22.042 -22.184 15.850 1.00 1.00 C ATOM 85 C GLN P 6 -21.663 -21.213 16.957 1.00 1.00 C ATOM 86 O GLN P 6 -22.068 -20.052 16.947 1.00 1.00 O ATOM 87 CB GLN P 6 -23.151 -23.120 16.333 1.00 1.00 C ATOM 88 CG GLN P 6 -23.735 -23.879 15.139 1.00 1.00 C ATOM 89 CD GLN P 6 -24.521 -22.921 14.246 1.00 1.00 C ATOM 90 OE1 GLN P 6 -25.435 -22.244 14.716 1.00 1.00 O ATOM 91 NE2 GLN P 6 -24.218 -22.822 12.984 1.00 1.00 N ATOM 0 H GLN P 6 -20.947 -23.961 15.605 1.00 1.00 H new ATOM 0 HA GLN P 6 -22.404 -21.609 14.998 1.00 1.00 H new ATOM 0 HB2 GLN P 6 -22.755 -23.823 17.066 1.00 1.00 H new ATOM 0 HB3 GLN P 6 -23.933 -22.547 16.831 1.00 1.00 H new ATOM 0 HG2 GLN P 6 -22.933 -24.347 14.568 1.00 1.00 H new ATOM 0 HG3 GLN P 6 -24.386 -24.680 15.490 1.00 1.00 H new ATOM 0 HE21 GLN P 6 -23.460 -23.384 12.596 1.00 1.00 H new ATOM 0 HE22 GLN P 6 -24.738 -22.183 12.383 1.00 1.00 H new ATOM 100 N TYR P 7 -20.887 -21.700 17.907 1.00 1.00 N ATOM 101 CA TYR P 7 -20.454 -20.872 19.023 1.00 1.00 C ATOM 102 C TYR P 7 -19.626 -19.699 18.518 1.00 1.00 C ATOM 103 O TYR P 7 -19.865 -18.548 18.882 1.00 1.00 O ATOM 104 CB TYR P 7 -19.622 -21.713 19.993 1.00 1.00 C ATOM 105 CG TYR P 7 -19.095 -20.839 21.107 1.00 1.00 C ATOM 106 CD1 TYR P 7 -19.943 -20.447 22.152 1.00 1.00 C ATOM 107 CD2 TYR P 7 -17.757 -20.422 21.101 1.00 1.00 C ATOM 108 CE1 TYR P 7 -19.451 -19.642 23.188 1.00 1.00 C ATOM 109 CE2 TYR P 7 -17.267 -19.616 22.137 1.00 1.00 C ATOM 110 CZ TYR P 7 -18.115 -19.226 23.181 1.00 1.00 C ATOM 111 OH TYR P 7 -17.636 -18.432 24.203 1.00 1.00 O ATOM 0 H TYR P 7 -20.543 -22.660 17.931 1.00 1.00 H new ATOM 0 HA TYR P 7 -21.333 -20.485 19.539 1.00 1.00 H new ATOM 0 HB2 TYR P 7 -20.231 -22.517 20.406 1.00 1.00 H new ATOM 0 HB3 TYR P 7 -18.793 -22.182 19.463 1.00 1.00 H new ATOM 0 HD1 TYR P 7 -20.975 -20.765 22.159 1.00 1.00 H new ATOM 0 HD2 TYR P 7 -17.102 -20.723 20.296 1.00 1.00 H new ATOM 0 HE1 TYR P 7 -20.104 -19.342 23.994 1.00 1.00 H new ATOM 0 HE2 TYR P 7 -16.236 -19.296 22.130 1.00 1.00 H new ATOM 0 HH TYR P 7 -16.689 -18.234 24.047 1.00 1.00 H new ATOM 121 N LEU P 8 -18.645 -20.004 17.676 1.00 1.00 N ATOM 122 CA LEU P 8 -17.777 -18.976 17.118 1.00 1.00 C ATOM 123 C LEU P 8 -18.627 -17.882 16.474 1.00 1.00 C ATOM 124 O LEU P 8 -18.327 -16.694 16.605 1.00 1.00 O ATOM 125 CB LEU P 8 -16.852 -19.596 16.058 1.00 1.00 C ATOM 126 CG LEU P 8 -15.713 -20.387 16.730 1.00 1.00 C ATOM 127 CD1 LEU P 8 -15.104 -21.360 15.714 1.00 1.00 C ATOM 128 CD2 LEU P 8 -14.605 -19.435 17.237 1.00 1.00 C ATOM 0 H LEU P 8 -18.432 -20.952 17.366 1.00 1.00 H new ATOM 0 HA LEU P 8 -17.173 -18.545 17.916 1.00 1.00 H new ATOM 0 HB2 LEU P 8 -17.426 -20.256 15.407 1.00 1.00 H new ATOM 0 HB3 LEU P 8 -16.434 -18.811 15.428 1.00 1.00 H new ATOM 0 HG LEU P 8 -16.126 -20.931 17.579 1.00 1.00 H new ATOM 0 HD11 LEU P 8 -14.298 -21.921 16.186 1.00 1.00 H new ATOM 0 HD12 LEU P 8 -15.872 -22.051 15.366 1.00 1.00 H new ATOM 0 HD13 LEU P 8 -14.709 -20.801 14.866 1.00 1.00 H new ATOM 0 HD21 LEU P 8 -13.812 -20.017 17.707 1.00 1.00 H new ATOM 0 HD22 LEU P 8 -14.194 -18.875 16.397 1.00 1.00 H new ATOM 0 HD23 LEU P 8 -15.026 -18.741 17.965 1.00 1.00 H new ATOM 140 N THR P 9 -19.689 -18.282 15.780 1.00 1.00 N ATOM 141 CA THR P 9 -20.561 -17.310 15.133 1.00 1.00 C ATOM 142 C THR P 9 -21.161 -16.385 16.183 1.00 1.00 C ATOM 143 O THR P 9 -21.187 -15.166 16.012 1.00 1.00 O ATOM 144 CB THR P 9 -21.681 -18.028 14.378 1.00 1.00 C ATOM 145 OG1 THR P 9 -21.118 -18.822 13.340 1.00 1.00 O ATOM 146 CG2 THR P 9 -22.635 -16.996 13.785 1.00 1.00 C ATOM 0 H THR P 9 -19.963 -19.256 15.653 1.00 1.00 H new ATOM 0 HA THR P 9 -19.976 -16.724 14.424 1.00 1.00 H new ATOM 0 HB THR P 9 -22.232 -18.673 15.063 1.00 1.00 H new ATOM 0 HG1 THR P 9 -20.670 -19.601 13.731 1.00 1.00 H new ATOM 0 HG21 THR P 9 -23.434 -17.506 13.247 1.00 1.00 H new ATOM 0 HG22 THR P 9 -23.064 -16.394 14.586 1.00 1.00 H new ATOM 0 HG23 THR P 9 -22.090 -16.349 13.098 1.00 1.00 H new ATOM 154 N ARG P 10 -21.635 -16.971 17.274 1.00 1.00 N ATOM 155 CA ARG P 10 -22.222 -16.175 18.339 1.00 1.00 C ATOM 156 C ARG P 10 -21.171 -15.222 18.883 1.00 1.00 C ATOM 157 O ARG P 10 -21.444 -14.053 19.143 1.00 1.00 O ATOM 158 CB ARG P 10 -22.742 -17.084 19.462 1.00 1.00 C ATOM 159 CG ARG P 10 -24.002 -17.854 19.013 1.00 1.00 C ATOM 160 CD ARG P 10 -25.267 -16.993 19.185 1.00 1.00 C ATOM 161 NE ARG P 10 -26.432 -17.713 18.672 1.00 1.00 N ATOM 162 CZ ARG P 10 -27.497 -17.072 18.187 1.00 1.00 C ATOM 163 NH1 ARG P 10 -27.527 -15.765 18.164 1.00 1.00 N ATOM 164 NH2 ARG P 10 -28.512 -17.753 17.734 1.00 1.00 N ATOM 0 H ARG P 10 -21.625 -17.977 17.442 1.00 1.00 H new ATOM 0 HA ARG P 10 -23.063 -15.606 17.943 1.00 1.00 H new ATOM 0 HB2 ARG P 10 -21.964 -17.790 19.752 1.00 1.00 H new ATOM 0 HB3 ARG P 10 -22.973 -16.484 20.342 1.00 1.00 H new ATOM 0 HG2 ARG P 10 -23.899 -18.150 17.969 1.00 1.00 H new ATOM 0 HG3 ARG P 10 -24.099 -18.770 19.596 1.00 1.00 H new ATOM 0 HD2 ARG P 10 -25.413 -16.751 20.238 1.00 1.00 H new ATOM 0 HD3 ARG P 10 -25.150 -16.048 18.654 1.00 1.00 H new ATOM 0 HE ARG P 10 -26.430 -18.733 18.685 1.00 1.00 H new ATOM 0 HH11 ARG P 10 -26.734 -15.230 18.518 1.00 1.00 H new ATOM 0 HH12 ARG P 10 -28.344 -15.280 17.792 1.00 1.00 H new ATOM 0 HH21 ARG P 10 -28.490 -18.773 17.751 1.00 1.00 H new ATOM 0 HH22 ARG P 10 -29.328 -17.266 17.363 1.00 1.00 H new ATOM 178 N SER P 11 -19.969 -15.725 19.049 1.00 1.00 N ATOM 179 CA SER P 11 -18.884 -14.905 19.558 1.00 1.00 C ATOM 180 C SER P 11 -18.554 -13.812 18.545 1.00 1.00 C ATOM 181 O SER P 11 -17.910 -12.819 18.877 1.00 1.00 O ATOM 182 CB SER P 11 -17.647 -15.762 19.806 1.00 1.00 C ATOM 183 OG SER P 11 -16.642 -14.963 20.421 1.00 1.00 O ATOM 0 H SER P 11 -19.715 -16.691 18.842 1.00 1.00 H new ATOM 0 HA SER P 11 -19.194 -14.451 20.499 1.00 1.00 H new ATOM 0 HB2 SER P 11 -17.898 -16.608 20.445 1.00 1.00 H new ATOM 0 HB3 SER P 11 -17.279 -16.171 18.865 1.00 1.00 H new ATOM 0 HG SER P 11 -16.712 -14.041 20.096 1.00 1.00 H new ATOM 189 N ALA P 12 -19.002 -14.017 17.307 1.00 1.00 N ATOM 190 CA ALA P 12 -18.754 -13.055 16.246 1.00 1.00 C ATOM 191 C ALA P 12 -19.659 -11.842 16.396 1.00 1.00 C ATOM 192 O ALA P 12 -19.232 -10.715 16.190 1.00 1.00 O ATOM 193 CB ALA P 12 -18.964 -13.706 14.871 1.00 1.00 C ATOM 0 H ALA P 12 -19.535 -14.838 17.020 1.00 1.00 H new ATOM 0 HA ALA P 12 -17.718 -12.724 16.323 1.00 1.00 H new ATOM 0 HB1 ALA P 12 -18.774 -12.972 14.088 1.00 1.00 H new ATOM 0 HB2 ALA P 12 -18.277 -14.544 14.757 1.00 1.00 H new ATOM 0 HB3 ALA P 12 -19.990 -14.065 14.791 1.00 1.00 H new ATOM 199 N ILE P 13 -20.916 -12.079 16.752 1.00 1.00 N ATOM 200 CA ILE P 13 -21.867 -10.978 16.918 1.00 1.00 C ATOM 201 C ILE P 13 -21.587 -10.195 18.205 1.00 1.00 C ATOM 202 O ILE P 13 -21.930 -9.016 18.308 1.00 1.00 O ATOM 203 CB ILE P 13 -23.338 -11.494 16.881 1.00 1.00 C ATOM 204 CG1 ILE P 13 -24.271 -10.400 16.320 1.00 1.00 C ATOM 205 CG2 ILE P 13 -23.829 -11.896 18.285 1.00 1.00 C ATOM 206 CD1 ILE P 13 -25.713 -10.915 16.267 1.00 1.00 C ATOM 0 H ILE P 13 -21.300 -13.007 16.930 1.00 1.00 H new ATOM 0 HA ILE P 13 -21.734 -10.295 16.079 1.00 1.00 H new ATOM 0 HB ILE P 13 -23.361 -12.373 16.236 1.00 1.00 H new ATOM 0 HG12 ILE P 13 -24.217 -9.509 16.946 1.00 1.00 H new ATOM 0 HG13 ILE P 13 -23.944 -10.108 15.322 1.00 1.00 H new ATOM 0 HG21 ILE P 13 -24.858 -12.251 18.223 1.00 1.00 H new ATOM 0 HG22 ILE P 13 -23.194 -12.690 18.679 1.00 1.00 H new ATOM 0 HG23 ILE P 13 -23.783 -11.032 18.948 1.00 1.00 H new ATOM 0 HD11 ILE P 13 -26.363 -10.136 15.870 1.00 1.00 H new ATOM 0 HD12 ILE P 13 -25.763 -11.792 15.622 1.00 1.00 H new ATOM 0 HD13 ILE P 13 -26.040 -11.184 17.271 1.00 1.00 H new ATOM 218 N ARG P 14 -20.969 -10.853 19.182 1.00 1.00 N ATOM 219 CA ARG P 14 -20.672 -10.177 20.441 1.00 1.00 C ATOM 220 C ARG P 14 -19.798 -8.963 20.191 1.00 1.00 C ATOM 221 O ARG P 14 -20.064 -7.879 20.688 1.00 1.00 O ATOM 222 CB ARG P 14 -19.960 -11.120 21.408 1.00 1.00 C ATOM 223 CG ARG P 14 -19.753 -10.410 22.752 1.00 1.00 C ATOM 224 CD ARG P 14 -19.130 -11.375 23.754 1.00 1.00 C ATOM 225 NE ARG P 14 -17.790 -11.755 23.323 1.00 1.00 N ATOM 226 CZ ARG P 14 -17.070 -12.622 24.021 1.00 1.00 C ATOM 227 NH1 ARG P 14 -17.562 -13.142 25.116 1.00 1.00 N ATOM 228 NH2 ARG P 14 -15.873 -12.955 23.617 1.00 1.00 N ATOM 0 H ARG P 14 -20.671 -11.827 19.131 1.00 1.00 H new ATOM 0 HA ARG P 14 -21.616 -9.862 20.885 1.00 1.00 H new ATOM 0 HB2 ARG P 14 -20.549 -12.026 21.550 1.00 1.00 H new ATOM 0 HB3 ARG P 14 -18.999 -11.426 20.994 1.00 1.00 H new ATOM 0 HG2 ARG P 14 -19.108 -9.542 22.620 1.00 1.00 H new ATOM 0 HG3 ARG P 14 -20.707 -10.043 23.131 1.00 1.00 H new ATOM 0 HD2 ARG P 14 -19.085 -10.909 24.738 1.00 1.00 H new ATOM 0 HD3 ARG P 14 -19.754 -12.263 23.850 1.00 1.00 H new ATOM 0 HE ARG P 14 -17.401 -11.348 22.472 1.00 1.00 H new ATOM 0 HH11 ARG P 14 -18.496 -12.880 25.430 1.00 1.00 H new ATOM 0 HH12 ARG P 14 -17.011 -13.809 25.656 1.00 1.00 H new ATOM 0 HH21 ARG P 14 -15.491 -12.548 22.763 1.00 1.00 H new ATOM 0 HH22 ARG P 14 -15.320 -13.622 24.155 1.00 1.00 H new ATOM 242 N ARG P 15 -18.744 -9.161 19.423 1.00 1.00 N ATOM 243 CA ARG P 15 -17.827 -8.073 19.116 1.00 1.00 C ATOM 244 C ARG P 15 -18.609 -6.827 18.677 1.00 1.00 C ATOM 245 O ARG P 15 -18.228 -5.702 18.962 1.00 1.00 O ATOM 246 CB ARG P 15 -16.833 -8.525 18.031 1.00 1.00 C ATOM 247 CG ARG P 15 -17.416 -8.324 16.622 1.00 1.00 C ATOM 248 CD ARG P 15 -16.671 -9.206 15.619 1.00 1.00 C ATOM 249 NE ARG P 15 -15.266 -8.819 15.568 1.00 1.00 N ATOM 250 CZ ARG P 15 -14.358 -9.594 14.987 1.00 1.00 C ATOM 251 NH1 ARG P 15 -14.718 -10.726 14.446 1.00 1.00 N ATOM 252 NH2 ARG P 15 -13.108 -9.222 14.960 1.00 1.00 N ATOM 0 H ARG P 15 -18.500 -10.057 19.001 1.00 1.00 H new ATOM 0 HA ARG P 15 -17.261 -7.810 20.010 1.00 1.00 H new ATOM 0 HB2 ARG P 15 -15.905 -7.961 18.127 1.00 1.00 H new ATOM 0 HB3 ARG P 15 -16.584 -9.576 18.178 1.00 1.00 H new ATOM 0 HG2 ARG P 15 -18.477 -8.572 16.619 1.00 1.00 H new ATOM 0 HG3 ARG P 15 -17.333 -7.277 16.331 1.00 1.00 H new ATOM 0 HD2 ARG P 15 -16.759 -10.254 15.907 1.00 1.00 H new ATOM 0 HD3 ARG P 15 -17.121 -9.108 14.631 1.00 1.00 H new ATOM 0 HE ARG P 15 -14.975 -7.936 15.987 1.00 1.00 H new ATOM 0 HH11 ARG P 15 -15.696 -11.014 14.470 1.00 1.00 H new ATOM 0 HH12 ARG P 15 -14.021 -11.322 13.999 1.00 1.00 H new ATOM 0 HH21 ARG P 15 -12.830 -8.337 15.385 1.00 1.00 H new ATOM 0 HH22 ARG P 15 -12.409 -9.816 14.514 1.00 1.00 H new ATOM 266 N ALA P 16 -19.713 -7.036 17.997 1.00 1.00 N ATOM 267 CA ALA P 16 -20.511 -5.904 17.559 1.00 1.00 C ATOM 268 C ALA P 16 -20.980 -5.157 18.793 1.00 1.00 C ATOM 269 O ALA P 16 -21.150 -3.939 18.787 1.00 1.00 O ATOM 270 CB ALA P 16 -21.713 -6.379 16.739 1.00 1.00 C ATOM 0 H ALA P 16 -20.076 -7.953 17.738 1.00 1.00 H new ATOM 0 HA ALA P 16 -19.914 -5.250 16.924 1.00 1.00 H new ATOM 0 HB1 ALA P 16 -22.299 -5.517 16.420 1.00 1.00 H new ATOM 0 HB2 ALA P 16 -21.363 -6.925 15.863 1.00 1.00 H new ATOM 0 HB3 ALA P 16 -22.334 -7.034 17.350 1.00 1.00 H new ATOM 276 N SER P 17 -21.181 -5.922 19.852 1.00 1.00 N ATOM 277 CA SER P 17 -21.629 -5.372 21.121 1.00 1.00 C ATOM 278 C SER P 17 -20.603 -4.383 21.684 1.00 1.00 C ATOM 279 O SER P 17 -20.902 -3.198 21.821 1.00 1.00 O ATOM 280 CB SER P 17 -21.877 -6.497 22.131 1.00 1.00 C ATOM 281 OG SER P 17 -22.463 -7.601 21.458 1.00 1.00 O ATOM 0 H SER P 17 -21.040 -6.932 19.858 1.00 1.00 H new ATOM 0 HA SER P 17 -22.563 -4.837 20.945 1.00 1.00 H new ATOM 0 HB2 SER P 17 -20.939 -6.796 22.599 1.00 1.00 H new ATOM 0 HB3 SER P 17 -22.535 -6.149 22.928 1.00 1.00 H new ATOM 0 HG SER P 17 -22.623 -8.326 22.097 1.00 1.00 H new ATOM 287 N THR P 18 -19.391 -4.865 22.028 1.00 1.00 N ATOM 288 CA THR P 18 -18.348 -3.986 22.592 1.00 1.00 C ATOM 289 C THR P 18 -16.951 -4.221 21.975 1.00 1.00 C ATOM 290 O THR P 18 -15.965 -3.780 22.554 1.00 1.00 O ATOM 291 CB THR P 18 -18.287 -4.210 24.110 1.00 1.00 C ATOM 292 OG1 THR P 18 -17.048 -3.741 24.626 1.00 1.00 O ATOM 293 CG2 THR P 18 -18.432 -5.703 24.410 1.00 1.00 C ATOM 0 H THR P 18 -19.114 -5.841 21.927 1.00 1.00 H new ATOM 0 HA THR P 18 -18.621 -2.958 22.354 1.00 1.00 H new ATOM 0 HB THR P 18 -19.099 -3.659 24.583 1.00 1.00 H new ATOM 0 HG1 THR P 18 -16.591 -3.205 23.944 1.00 1.00 H new ATOM 0 HG21 THR P 18 -18.389 -5.864 25.487 1.00 1.00 H new ATOM 0 HG22 THR P 18 -19.389 -6.060 24.028 1.00 1.00 H new ATOM 0 HG23 THR P 18 -17.622 -6.251 23.929 1.00 1.00 H new ATOM 301 N ILE P 19 -16.893 -4.916 20.813 1.00 1.00 N ATOM 302 CA ILE P 19 -15.614 -5.234 20.088 1.00 1.00 C ATOM 303 C ILE P 19 -14.385 -4.732 20.845 1.00 1.00 C ATOM 304 O ILE P 19 -14.214 -3.529 20.992 1.00 1.00 O ATOM 305 CB ILE P 19 -15.628 -4.615 18.660 1.00 1.00 C ATOM 306 CG1 ILE P 19 -14.200 -4.479 18.083 1.00 1.00 C ATOM 307 CG2 ILE P 19 -16.268 -3.234 18.714 1.00 1.00 C ATOM 308 CD1 ILE P 19 -14.278 -4.227 16.576 1.00 1.00 C ATOM 0 H ILE P 19 -17.724 -5.276 20.343 1.00 1.00 H new ATOM 0 HA ILE P 19 -15.550 -6.320 20.019 1.00 1.00 H new ATOM 0 HB ILE P 19 -16.199 -5.281 18.013 1.00 1.00 H new ATOM 0 HG12 ILE P 19 -13.676 -3.658 18.573 1.00 1.00 H new ATOM 0 HG13 ILE P 19 -13.629 -5.386 18.281 1.00 1.00 H new ATOM 0 HG21 ILE P 19 -16.279 -2.799 17.715 1.00 1.00 H new ATOM 0 HG22 ILE P 19 -17.290 -3.321 19.083 1.00 1.00 H new ATOM 0 HG23 ILE P 19 -15.694 -2.593 19.383 1.00 1.00 H new ATOM 0 HD11 ILE P 19 -13.271 -4.131 16.170 1.00 1.00 H new ATOM 0 HD12 ILE P 19 -14.786 -5.062 16.093 1.00 1.00 H new ATOM 0 HD13 ILE P 19 -14.833 -3.308 16.389 1.00 1.00 H new ATOM 320 N GLU P 20 -13.559 -5.679 21.302 1.00 1.00 N ATOM 321 CA GLU P 20 -12.321 -5.402 22.057 1.00 1.00 C ATOM 322 C GLU P 20 -12.034 -3.912 22.262 1.00 1.00 C ATOM 323 O GLU P 20 -11.395 -3.286 21.427 1.00 1.00 O ATOM 324 CB GLU P 20 -11.136 -6.048 21.326 1.00 1.00 C ATOM 325 CG GLU P 20 -9.816 -5.730 22.054 1.00 1.00 C ATOM 326 CD GLU P 20 -8.688 -6.576 21.474 1.00 1.00 C ATOM 327 OE1 GLU P 20 -8.886 -7.143 20.413 1.00 1.00 O ATOM 328 OE2 GLU P 20 -7.644 -6.645 22.099 1.00 1.00 O ATOM 0 H GLU P 20 -13.729 -6.674 21.159 1.00 1.00 H new ATOM 0 HA GLU P 20 -12.462 -5.826 23.051 1.00 1.00 H new ATOM 0 HB2 GLU P 20 -11.278 -7.127 21.273 1.00 1.00 H new ATOM 0 HB3 GLU P 20 -11.090 -5.682 20.300 1.00 1.00 H new ATOM 0 HG2 GLU P 20 -9.579 -4.671 21.950 1.00 1.00 H new ATOM 0 HG3 GLU P 20 -9.921 -5.930 23.120 1.00 1.00 H new ATOM 335 N MET P 21 -12.501 -3.354 23.386 1.00 1.00 N ATOM 336 CA MET P 21 -12.277 -1.931 23.711 1.00 1.00 C ATOM 337 C MET P 21 -11.690 -1.769 25.127 1.00 1.00 C ATOM 338 O MET P 21 -11.969 -0.778 25.799 1.00 1.00 O ATOM 339 CB MET P 21 -13.593 -1.134 23.610 1.00 1.00 C ATOM 340 CG MET P 21 -13.916 -0.778 22.131 1.00 1.00 C ATOM 341 SD MET P 21 -15.690 -0.987 21.820 1.00 1.00 S ATOM 342 CE MET P 21 -16.283 0.127 23.119 1.00 1.00 C ATOM 0 H MET P 21 -13.037 -3.863 24.089 1.00 1.00 H new ATOM 0 HA MET P 21 -11.563 -1.540 22.987 1.00 1.00 H new ATOM 0 HB2 MET P 21 -14.410 -1.718 24.034 1.00 1.00 H new ATOM 0 HB3 MET P 21 -13.515 -0.220 24.199 1.00 1.00 H new ATOM 0 HG2 MET P 21 -13.620 0.250 21.922 1.00 1.00 H new ATOM 0 HG3 MET P 21 -13.342 -1.418 21.460 1.00 1.00 H new ATOM 0 HE1 MET P 21 -17.264 0.515 22.845 1.00 1.00 H new ATOM 0 HE2 MET P 21 -16.358 -0.418 24.060 1.00 1.00 H new ATOM 0 HE3 MET P 21 -15.584 0.956 23.235 1.00 1.00 H new ATOM 352 N PRO P 22 -10.889 -2.688 25.615 1.00 1.00 N ATOM 353 CA PRO P 22 -10.318 -2.536 26.974 1.00 1.00 C ATOM 354 C PRO P 22 -9.803 -1.103 27.190 1.00 1.00 C ATOM 355 O PRO P 22 -10.400 -0.337 27.943 1.00 1.00 O ATOM 356 CB PRO P 22 -9.165 -3.575 27.055 1.00 1.00 C ATOM 357 CG PRO P 22 -9.320 -4.495 25.854 1.00 1.00 C ATOM 358 CD PRO P 22 -10.450 -3.931 24.965 1.00 1.00 C ATOM 0 HA PRO P 22 -11.061 -2.709 27.753 1.00 1.00 H new ATOM 0 HB2 PRO P 22 -8.195 -3.078 27.039 1.00 1.00 H new ATOM 0 HB3 PRO P 22 -9.219 -4.141 27.985 1.00 1.00 H new ATOM 0 HG2 PRO P 22 -8.387 -4.552 25.294 1.00 1.00 H new ATOM 0 HG3 PRO P 22 -9.559 -5.508 26.178 1.00 1.00 H new ATOM 0 HD2 PRO P 22 -10.092 -3.738 23.954 1.00 1.00 H new ATOM 0 HD3 PRO P 22 -11.273 -4.641 24.882 1.00 1.00 H new ATOM 366 N GLN P 23 -8.696 -0.772 26.512 1.00 1.00 N ATOM 367 CA GLN P 23 -8.077 0.561 26.616 1.00 1.00 C ATOM 368 C GLN P 23 -7.033 0.812 25.508 1.00 1.00 C ATOM 369 O GLN P 23 -6.766 1.962 25.170 1.00 1.00 O ATOM 370 CB GLN P 23 -7.322 0.724 27.957 1.00 1.00 C ATOM 371 CG GLN P 23 -8.275 0.709 29.154 1.00 1.00 C ATOM 372 CD GLN P 23 -7.566 1.235 30.396 1.00 1.00 C ATOM 373 OE1 GLN P 23 -6.435 1.720 30.313 1.00 1.00 O ATOM 374 NE2 GLN P 23 -8.169 1.164 31.554 1.00 1.00 N ATOM 0 H GLN P 23 -8.208 -1.410 25.883 1.00 1.00 H new ATOM 0 HA GLN P 23 -8.903 1.267 26.530 1.00 1.00 H new ATOM 0 HB2 GLN P 23 -6.593 -0.079 28.063 1.00 1.00 H new ATOM 0 HB3 GLN P 23 -6.765 1.661 27.948 1.00 1.00 H new ATOM 0 HG2 GLN P 23 -9.151 1.322 28.939 1.00 1.00 H new ATOM 0 HG3 GLN P 23 -8.632 -0.306 29.332 1.00 1.00 H new ATOM 0 HE21 GLN P 23 -9.104 0.762 31.618 1.00 1.00 H new ATOM 0 HE22 GLN P 23 -7.704 1.510 32.393 1.00 1.00 H new ATOM 383 N GLN P 24 -6.427 -0.250 24.952 1.00 1.00 N ATOM 384 CA GLN P 24 -5.407 -0.087 23.904 1.00 1.00 C ATOM 385 C GLN P 24 -6.002 -0.327 22.535 1.00 1.00 C ATOM 386 O GLN P 24 -5.324 -0.197 21.514 1.00 1.00 O ATOM 387 CB GLN P 24 -4.270 -1.079 24.149 1.00 1.00 C ATOM 388 CG GLN P 24 -3.567 -0.728 25.460 1.00 1.00 C ATOM 389 CD GLN P 24 -2.472 -1.742 25.764 1.00 1.00 C ATOM 390 OE1 GLN P 24 -2.216 -2.641 24.964 1.00 1.00 O ATOM 391 NE2 GLN P 24 -1.807 -1.648 26.880 1.00 1.00 N ATOM 0 H GLN P 24 -6.622 -1.218 25.207 1.00 1.00 H new ATOM 0 HA GLN P 24 -5.026 0.934 23.941 1.00 1.00 H new ATOM 0 HB2 GLN P 24 -4.662 -2.095 24.194 1.00 1.00 H new ATOM 0 HB3 GLN P 24 -3.560 -1.047 23.323 1.00 1.00 H new ATOM 0 HG2 GLN P 24 -3.137 0.272 25.393 1.00 1.00 H new ATOM 0 HG3 GLN P 24 -4.291 -0.710 26.275 1.00 1.00 H new ATOM 0 HE21 GLN P 24 -2.022 -0.901 27.541 1.00 1.00 H new ATOM 0 HE22 GLN P 24 -1.071 -2.321 27.093 1.00 1.00 H new ATOM 400 N ALA P 25 -7.265 -0.674 22.522 1.00 1.00 N ATOM 401 CA ALA P 25 -7.949 -0.933 21.276 1.00 1.00 C ATOM 402 C ALA P 25 -7.889 0.285 20.366 1.00 1.00 C ATOM 403 O ALA P 25 -7.815 0.158 19.144 1.00 1.00 O ATOM 404 CB ALA P 25 -9.392 -1.293 21.563 1.00 1.00 C ATOM 0 H ALA P 25 -7.841 -0.784 23.357 1.00 1.00 H new ATOM 0 HA ALA P 25 -7.457 -1.763 20.769 1.00 1.00 H new ATOM 0 HB1 ALA P 25 -9.912 -1.489 20.625 1.00 1.00 H new ATOM 0 HB2 ALA P 25 -9.427 -2.184 22.190 1.00 1.00 H new ATOM 0 HB3 ALA P 25 -9.877 -0.466 22.080 1.00 1.00 H new ATOM 410 N ARG P 26 -7.922 1.460 20.966 1.00 1.00 N ATOM 411 CA ARG P 26 -7.874 2.691 20.187 1.00 1.00 C ATOM 412 C ARG P 26 -6.621 2.734 19.315 1.00 1.00 C ATOM 413 O ARG P 26 -6.703 2.987 18.107 1.00 1.00 O ATOM 414 CB ARG P 26 -7.877 3.901 21.120 1.00 1.00 C ATOM 415 CG ARG P 26 -9.253 4.051 21.759 1.00 1.00 C ATOM 416 CD ARG P 26 -9.215 5.191 22.774 1.00 1.00 C ATOM 417 NE ARG P 26 -8.959 6.455 22.096 1.00 1.00 N ATOM 418 CZ ARG P 26 -8.812 7.578 22.781 1.00 1.00 C ATOM 419 NH1 ARG P 26 -8.901 7.562 24.084 1.00 1.00 N ATOM 420 NH2 ARG P 26 -8.584 8.697 22.154 1.00 1.00 N ATOM 0 H ARG P 26 -7.981 1.592 21.976 1.00 1.00 H new ATOM 0 HA ARG P 26 -8.754 2.718 19.544 1.00 1.00 H new ATOM 0 HB2 ARG P 26 -7.118 3.779 21.892 1.00 1.00 H new ATOM 0 HB3 ARG P 26 -7.623 4.803 20.563 1.00 1.00 H new ATOM 0 HG2 ARG P 26 -10.002 4.255 20.994 1.00 1.00 H new ATOM 0 HG3 ARG P 26 -9.543 3.121 22.249 1.00 1.00 H new ATOM 0 HD2 ARG P 26 -10.162 5.242 23.311 1.00 1.00 H new ATOM 0 HD3 ARG P 26 -8.438 5.003 23.515 1.00 1.00 H new ATOM 0 HE ARG P 26 -8.892 6.475 21.078 1.00 1.00 H new ATOM 0 HH11 ARG P 26 -9.083 6.685 24.572 1.00 1.00 H new ATOM 0 HH12 ARG P 26 -8.788 8.426 24.614 1.00 1.00 H new ATOM 0 HH21 ARG P 26 -8.519 8.707 21.136 1.00 1.00 H new ATOM 0 HH22 ARG P 26 -8.471 9.563 22.681 1.00 1.00 H new ATOM 434 N GLN P 27 -5.457 2.491 19.915 1.00 1.00 N ATOM 435 CA GLN P 27 -4.208 2.513 19.168 1.00 1.00 C ATOM 436 C GLN P 27 -3.963 1.181 18.474 1.00 1.00 C ATOM 437 O GLN P 27 -3.324 1.139 17.427 1.00 1.00 O ATOM 438 CB GLN P 27 -3.042 2.817 20.111 1.00 1.00 C ATOM 439 CG GLN P 27 -3.180 4.240 20.659 1.00 1.00 C ATOM 440 CD GLN P 27 -2.947 5.262 19.549 1.00 1.00 C ATOM 441 OE1 GLN P 27 -1.926 5.216 18.867 1.00 1.00 O ATOM 442 NE2 GLN P 27 -3.840 6.187 19.325 1.00 1.00 N ATOM 0 H GLN P 27 -5.356 2.279 20.908 1.00 1.00 H new ATOM 0 HA GLN P 27 -4.281 3.292 18.409 1.00 1.00 H new ATOM 0 HB2 GLN P 27 -3.029 2.100 20.932 1.00 1.00 H new ATOM 0 HB3 GLN P 27 -2.096 2.711 19.581 1.00 1.00 H new ATOM 0 HG2 GLN P 27 -4.173 4.377 21.086 1.00 1.00 H new ATOM 0 HG3 GLN P 27 -2.462 4.398 21.464 1.00 1.00 H new ATOM 0 HE21 GLN P 27 -4.688 6.225 19.891 1.00 1.00 H new ATOM 0 HE22 GLN P 27 -3.690 6.872 18.584 1.00 1.00 H new ATOM 451 N ASN P 28 -4.468 0.088 19.050 1.00 1.00 N ATOM 452 CA ASN P 28 -4.265 -1.212 18.425 1.00 2.22 C ATOM 453 C ASN P 28 -4.963 -1.262 17.068 1.00 1.00 C ATOM 454 O ASN P 28 -4.398 -1.741 16.084 1.00 1.00 O ATOM 455 CB ASN P 28 -4.798 -2.321 19.332 1.00 1.00 C ATOM 456 CG ASN P 28 -4.191 -3.667 18.942 1.00 1.00 C ATOM 457 OD1 ASN P 28 -3.011 -3.747 18.600 1.00 1.00 O ATOM 458 ND2 ASN P 28 -4.939 -4.732 18.972 1.00 1.00 N ATOM 0 H ASN P 28 -5.002 0.078 19.919 1.00 1.00 H new ATOM 0 HA ASN P 28 -3.196 -1.364 18.274 1.00 2.22 H new ATOM 0 HB2 ASN P 28 -4.560 -2.095 20.371 1.00 1.00 H new ATOM 0 HB3 ASN P 28 -5.884 -2.370 19.257 1.00 1.00 H new ATOM 0 HD21 ASN P 28 -4.548 -5.637 18.712 1.00 1.00 H new ATOM 0 HD22 ASN P 28 -5.916 -4.661 19.256 1.00 1.00 H new ATOM 465 N LEU P 29 -6.192 -0.760 17.028 1.00 1.00 N ATOM 466 CA LEU P 29 -6.957 -0.749 15.789 1.00 2.26 C ATOM 467 C LEU P 29 -6.340 0.216 14.793 1.00 1.00 C ATOM 468 O LEU P 29 -6.274 -0.086 13.599 1.00 1.00 O ATOM 469 CB LEU P 29 -8.446 -0.373 16.045 1.00 1.00 C ATOM 470 CG LEU P 29 -9.297 -1.616 16.336 1.00 1.00 C ATOM 471 CD1 LEU P 29 -8.959 -2.171 17.713 1.00 1.00 C ATOM 472 CD2 LEU P 29 -10.776 -1.223 16.298 1.00 1.00 C ATOM 0 H LEU P 29 -6.676 -0.359 17.832 1.00 1.00 H new ATOM 0 HA LEU P 29 -6.929 -1.756 15.373 1.00 2.26 H new ATOM 0 HB2 LEU P 29 -8.509 0.317 16.886 1.00 1.00 H new ATOM 0 HB3 LEU P 29 -8.846 0.148 15.175 1.00 1.00 H new ATOM 0 HG LEU P 29 -9.091 -2.380 15.586 1.00 1.00 H new ATOM 0 HD11 LEU P 29 -9.569 -3.053 17.909 1.00 1.00 H new ATOM 0 HD12 LEU P 29 -7.904 -2.444 17.746 1.00 1.00 H new ATOM 0 HD13 LEU P 29 -9.162 -1.414 18.470 1.00 1.00 H new ATOM 0 HD21 LEU P 29 -11.391 -2.099 16.504 1.00 1.00 H new ATOM 0 HD22 LEU P 29 -10.969 -0.459 17.052 1.00 1.00 H new ATOM 0 HD23 LEU P 29 -11.023 -0.830 15.312 1.00 1.00 H new ATOM 484 N GLN P 30 -5.888 1.374 15.262 1.00 1.00 N ATOM 485 CA GLN P 30 -5.291 2.335 14.361 1.00 2.62 C ATOM 486 C GLN P 30 -3.928 1.856 13.878 1.00 1.00 C ATOM 487 O GLN P 30 -3.520 2.152 12.754 1.00 1.00 O ATOM 488 CB GLN P 30 -5.150 3.694 15.049 1.00 1.00 C ATOM 489 CG GLN P 30 -6.537 4.307 15.250 1.00 1.00 C ATOM 490 CD GLN P 30 -6.418 5.667 15.932 1.00 1.00 C ATOM 491 OE1 GLN P 30 -5.309 6.162 16.146 1.00 1.00 O ATOM 492 NE2 GLN P 30 -7.503 6.304 16.288 1.00 1.00 N ATOM 0 H GLN P 30 -5.925 1.660 16.240 1.00 1.00 H new ATOM 0 HA GLN P 30 -5.947 2.438 13.497 1.00 2.62 H new ATOM 0 HB2 GLN P 30 -4.649 3.577 16.010 1.00 1.00 H new ATOM 0 HB3 GLN P 30 -4.531 4.357 14.445 1.00 1.00 H new ATOM 0 HG2 GLN P 30 -7.037 4.417 14.288 1.00 1.00 H new ATOM 0 HG3 GLN P 30 -7.153 3.641 15.855 1.00 1.00 H new ATOM 0 HE21 GLN P 30 -8.419 5.891 16.109 1.00 1.00 H new ATOM 0 HE22 GLN P 30 -7.434 7.214 16.744 1.00 1.00 H new ATOM 501 N ASN P 31 -3.226 1.114 14.728 1.00 1.00 N ATOM 502 CA ASN P 31 -1.910 0.602 14.365 1.00 2.26 C ATOM 503 C ASN P 31 -2.038 -0.319 13.162 1.00 1.00 C ATOM 504 O ASN P 31 -1.221 -0.279 12.248 1.00 1.00 O ATOM 505 CB ASN P 31 -1.286 -0.157 15.547 1.00 1.00 C ATOM 506 CG ASN P 31 -0.735 0.822 16.580 1.00 1.00 C ATOM 507 OD1 ASN P 31 -0.569 2.005 16.290 1.00 1.00 O ATOM 508 ND2 ASN P 31 -0.436 0.391 17.775 1.00 1.00 N ATOM 0 H ASN P 31 -3.542 0.856 15.663 1.00 1.00 H new ATOM 0 HA ASN P 31 -1.260 1.439 14.111 1.00 2.26 H new ATOM 0 HB2 ASN P 31 -2.035 -0.800 16.010 1.00 1.00 H new ATOM 0 HB3 ASN P 31 -0.486 -0.805 15.189 1.00 1.00 H new ATOM 0 HD21 ASN P 31 -0.063 1.036 18.471 1.00 1.00 H new ATOM 0 HD22 ASN P 31 -0.575 -0.591 18.012 1.00 1.00 H new ATOM 515 N LEU P 32 -3.071 -1.143 13.174 1.00 1.00 N ATOM 516 CA LEU P 32 -3.309 -2.070 12.085 1.00 2.20 C ATOM 517 C LEU P 32 -3.602 -1.305 10.810 1.00 1.00 C ATOM 518 O LEU P 32 -3.100 -1.645 9.753 1.00 1.00 O ATOM 519 CB LEU P 32 -4.480 -2.996 12.411 1.00 1.00 C ATOM 520 CG LEU P 32 -4.104 -3.956 13.550 1.00 1.00 C ATOM 521 CD1 LEU P 32 -5.365 -4.709 13.983 1.00 1.00 C ATOM 522 CD2 LEU P 32 -3.018 -4.962 13.085 1.00 1.00 C ATOM 0 H LEU P 32 -3.758 -1.188 13.927 1.00 1.00 H new ATOM 0 HA LEU P 32 -2.414 -2.676 11.946 1.00 2.20 H new ATOM 0 HB2 LEU P 32 -5.350 -2.405 12.697 1.00 1.00 H new ATOM 0 HB3 LEU P 32 -4.759 -3.565 11.524 1.00 1.00 H new ATOM 0 HG LEU P 32 -3.698 -3.388 14.387 1.00 1.00 H new ATOM 0 HD11 LEU P 32 -5.118 -5.397 14.792 1.00 1.00 H new ATOM 0 HD12 LEU P 32 -6.114 -3.996 14.328 1.00 1.00 H new ATOM 0 HD13 LEU P 32 -5.762 -5.271 13.137 1.00 1.00 H new ATOM 0 HD21 LEU P 32 -2.767 -5.632 13.907 1.00 1.00 H new ATOM 0 HD22 LEU P 32 -3.397 -5.544 12.245 1.00 1.00 H new ATOM 0 HD23 LEU P 32 -2.126 -4.417 12.776 1.00 1.00 H new ATOM 534 N PHE P 33 -4.418 -0.267 10.917 1.00 1.00 N ATOM 535 CA PHE P 33 -4.760 0.539 9.753 1.00 2.51 C ATOM 536 C PHE P 33 -3.498 1.193 9.208 1.00 1.00 C ATOM 537 O PHE P 33 -3.225 1.160 8.007 1.00 1.00 O ATOM 538 CB PHE P 33 -5.780 1.620 10.134 1.00 1.00 C ATOM 539 CG PHE P 33 -6.120 2.446 8.913 1.00 1.00 C ATOM 540 CD1 PHE P 33 -6.936 1.903 7.913 1.00 1.00 C ATOM 541 CD2 PHE P 33 -5.624 3.751 8.777 1.00 1.00 C ATOM 542 CE1 PHE P 33 -7.255 2.657 6.780 1.00 1.00 C ATOM 543 CE2 PHE P 33 -5.944 4.507 7.642 1.00 1.00 C ATOM 544 CZ PHE P 33 -6.760 3.959 6.642 1.00 1.00 C ATOM 0 H PHE P 33 -4.852 0.036 11.789 1.00 1.00 H new ATOM 0 HA PHE P 33 -5.201 -0.103 8.991 1.00 2.51 H new ATOM 0 HB2 PHE P 33 -6.682 1.158 10.536 1.00 1.00 H new ATOM 0 HB3 PHE P 33 -5.373 2.260 10.917 1.00 1.00 H new ATOM 0 HD1 PHE P 33 -7.320 0.899 8.017 1.00 1.00 H new ATOM 0 HD2 PHE P 33 -4.995 4.173 9.547 1.00 1.00 H new ATOM 0 HE1 PHE P 33 -7.884 2.235 6.010 1.00 1.00 H new ATOM 0 HE2 PHE P 33 -5.562 5.512 7.537 1.00 1.00 H new ATOM 0 HZ PHE P 33 -7.006 4.541 5.766 1.00 1.00 H new ATOM 554 N ILE P 34 -2.733 1.791 10.117 1.00 1.00 N ATOM 555 CA ILE P 34 -1.497 2.459 9.739 1.00 2.53 C ATOM 556 C ILE P 34 -0.499 1.443 9.182 1.00 1.00 C ATOM 557 O ILE P 34 0.105 1.669 8.137 1.00 1.00 O ATOM 558 CB ILE P 34 -0.904 3.173 10.959 1.00 1.00 C ATOM 559 CG1 ILE P 34 -1.827 4.324 11.359 1.00 1.00 C ATOM 560 CG2 ILE P 34 0.480 3.730 10.613 1.00 1.00 C ATOM 561 CD1 ILE P 34 -1.416 4.871 12.728 1.00 1.00 C ATOM 0 H ILE P 34 -2.947 1.825 11.114 1.00 1.00 H new ATOM 0 HA ILE P 34 -1.710 3.196 8.964 1.00 2.53 H new ATOM 0 HB ILE P 34 -0.810 2.467 11.784 1.00 1.00 H new ATOM 0 HG12 ILE P 34 -1.779 5.116 10.612 1.00 1.00 H new ATOM 0 HG13 ILE P 34 -2.860 3.978 11.391 1.00 1.00 H new ATOM 0 HG21 ILE P 34 0.897 4.236 11.484 1.00 1.00 H new ATOM 0 HG22 ILE P 34 1.138 2.912 10.319 1.00 1.00 H new ATOM 0 HG23 ILE P 34 0.392 4.438 9.789 1.00 1.00 H new ATOM 0 HD11 ILE P 34 -2.078 5.691 13.006 1.00 1.00 H new ATOM 0 HD12 ILE P 34 -1.487 4.078 13.473 1.00 1.00 H new ATOM 0 HD13 ILE P 34 -0.389 5.234 12.681 1.00 1.00 H new ATOM 573 N ASN P 35 -0.329 0.321 9.885 1.00 1.00 N ATOM 574 CA ASN P 35 0.594 -0.709 9.441 1.00 2.50 C ATOM 575 C ASN P 35 0.074 -1.320 8.159 1.00 1.00 C ATOM 576 O ASN P 35 0.821 -1.550 7.213 1.00 1.00 O ATOM 577 CB ASN P 35 0.748 -1.791 10.514 1.00 1.00 C ATOM 578 CG ASN P 35 1.632 -1.284 11.649 1.00 1.00 C ATOM 579 OD1 ASN P 35 2.333 -0.288 11.491 1.00 1.00 O ATOM 580 ND2 ASN P 35 1.638 -1.919 12.788 1.00 1.00 N ATOM 0 H ASN P 35 -0.817 0.110 10.756 1.00 1.00 H new ATOM 0 HA ASN P 35 1.572 -0.262 9.264 1.00 2.50 H new ATOM 0 HB2 ASN P 35 -0.231 -2.070 10.903 1.00 1.00 H new ATOM 0 HB3 ASN P 35 1.185 -2.688 10.076 1.00 1.00 H new ATOM 0 HD21 ASN P 35 2.227 -1.589 13.553 1.00 1.00 H new ATOM 0 HD22 ASN P 35 1.054 -2.746 12.914 1.00 1.00 H new ATOM 587 N PHE P 36 -1.220 -1.584 8.153 1.00 1.00 N ATOM 588 CA PHE P 36 -1.863 -2.181 6.987 1.00 2.41 C ATOM 589 C PHE P 36 -1.801 -1.254 5.780 1.00 1.00 C ATOM 590 O PHE P 36 -1.747 -1.714 4.638 1.00 1.00 O ATOM 591 CB PHE P 36 -3.326 -2.537 7.278 1.00 1.00 C ATOM 592 CG PHE P 36 -3.946 -3.147 6.042 1.00 1.00 C ATOM 593 CD1 PHE P 36 -3.647 -4.474 5.699 1.00 1.00 C ATOM 594 CD2 PHE P 36 -4.814 -2.397 5.242 1.00 1.00 C ATOM 595 CE1 PHE P 36 -4.216 -5.045 4.557 1.00 1.00 C ATOM 596 CE2 PHE P 36 -5.384 -2.972 4.098 1.00 1.00 C ATOM 597 CZ PHE P 36 -5.085 -4.295 3.756 1.00 1.00 C ATOM 0 H PHE P 36 -1.847 -1.397 8.936 1.00 1.00 H new ATOM 0 HA PHE P 36 -1.314 -3.094 6.759 1.00 2.41 H new ATOM 0 HB2 PHE P 36 -3.383 -3.237 8.111 1.00 1.00 H new ATOM 0 HB3 PHE P 36 -3.878 -1.645 7.573 1.00 1.00 H new ATOM 0 HD1 PHE P 36 -2.978 -5.054 6.317 1.00 1.00 H new ATOM 0 HD2 PHE P 36 -5.045 -1.375 5.506 1.00 1.00 H new ATOM 0 HE1 PHE P 36 -3.985 -6.066 4.292 1.00 1.00 H new ATOM 0 HE2 PHE P 36 -6.055 -2.393 3.480 1.00 1.00 H new ATOM 0 HZ PHE P 36 -5.524 -4.738 2.874 1.00 1.00 H new ATOM 607 N ALA P 37 -1.797 0.045 6.030 1.00 1.00 N ATOM 608 CA ALA P 37 -1.729 1.015 4.954 1.00 1.90 C ATOM 609 C ALA P 37 -0.306 1.076 4.415 1.00 1.00 C ATOM 610 O ALA P 37 -0.084 1.216 3.219 1.00 1.00 O ATOM 611 CB ALA P 37 -2.154 2.397 5.455 1.00 1.00 C ATOM 0 H ALA P 37 -1.840 0.449 6.965 1.00 1.00 H new ATOM 0 HA ALA P 37 -2.408 0.710 4.158 1.00 1.90 H new ATOM 0 HB1 ALA P 37 -2.098 3.114 4.636 1.00 1.00 H new ATOM 0 HB2 ALA P 37 -3.178 2.350 5.827 1.00 1.00 H new ATOM 0 HB3 ALA P 37 -1.490 2.712 6.260 1.00 1.00 H new ATOM 617 N LEU P 38 0.660 0.962 5.318 1.00 1.00 N ATOM 618 CA LEU P 38 2.065 1.005 4.930 1.00 2.10 C ATOM 619 C LEU P 38 2.368 -0.132 3.959 1.00 1.00 C ATOM 620 O LEU P 38 3.109 0.058 2.994 1.00 1.00 O ATOM 621 CB LEU P 38 2.967 0.900 6.169 1.00 1.00 C ATOM 622 CG LEU P 38 3.030 2.245 6.920 1.00 1.00 C ATOM 623 CD1 LEU P 38 3.695 2.021 8.281 1.00 1.00 C ATOM 624 CD2 LEU P 38 3.842 3.295 6.115 1.00 1.00 C ATOM 0 H LEU P 38 0.499 0.840 6.318 1.00 1.00 H new ATOM 0 HA LEU P 38 2.266 1.957 4.438 1.00 2.10 H new ATOM 0 HB2 LEU P 38 2.588 0.125 6.835 1.00 1.00 H new ATOM 0 HB3 LEU P 38 3.971 0.599 5.869 1.00 1.00 H new ATOM 0 HG LEU P 38 2.016 2.624 7.049 1.00 1.00 H new ATOM 0 HD11 LEU P 38 3.745 2.966 8.821 1.00 1.00 H new ATOM 0 HD12 LEU P 38 3.111 1.304 8.858 1.00 1.00 H new ATOM 0 HD13 LEU P 38 4.703 1.633 8.134 1.00 1.00 H new ATOM 0 HD21 LEU P 38 3.871 4.234 6.667 1.00 1.00 H new ATOM 0 HD22 LEU P 38 4.858 2.931 5.964 1.00 1.00 H new ATOM 0 HD23 LEU P 38 3.368 3.458 5.147 1.00 1.00 H new ATOM 636 N ILE P 39 1.789 -1.301 4.200 1.00 1.00 N ATOM 637 CA ILE P 39 2.019 -2.429 3.308 1.00 2.72 C ATOM 638 C ILE P 39 1.403 -2.098 1.952 1.00 1.00 C ATOM 639 O ILE P 39 1.999 -2.336 0.906 1.00 1.00 O ATOM 640 CB ILE P 39 1.388 -3.714 3.879 1.00 1.00 C ATOM 641 CG1 ILE P 39 2.142 -4.159 5.157 1.00 1.00 C ATOM 642 CG2 ILE P 39 1.426 -4.836 2.831 1.00 1.00 C ATOM 643 CD1 ILE P 39 3.638 -4.425 4.882 1.00 1.00 C ATOM 0 H ILE P 39 1.170 -1.491 4.988 1.00 1.00 H new ATOM 0 HA ILE P 39 3.090 -2.603 3.204 1.00 2.72 H new ATOM 0 HB ILE P 39 0.349 -3.506 4.136 1.00 1.00 H new ATOM 0 HG12 ILE P 39 2.045 -3.389 5.922 1.00 1.00 H new ATOM 0 HG13 ILE P 39 1.680 -5.063 5.555 1.00 1.00 H new ATOM 0 HG21 ILE P 39 0.977 -5.738 3.247 1.00 1.00 H new ATOM 0 HG22 ILE P 39 0.868 -4.527 1.947 1.00 1.00 H new ATOM 0 HG23 ILE P 39 2.460 -5.040 2.554 1.00 1.00 H new ATOM 0 HD11 ILE P 39 4.128 -4.735 5.805 1.00 1.00 H new ATOM 0 HD12 ILE P 39 3.736 -5.214 4.137 1.00 1.00 H new ATOM 0 HD13 ILE P 39 4.107 -3.514 4.510 1.00 1.00 H new ATOM 655 N LEU P 40 0.199 -1.539 1.988 1.00 1.00 N ATOM 656 CA LEU P 40 -0.493 -1.170 0.756 1.00 2.50 C ATOM 657 C LEU P 40 0.334 -0.115 0.006 1.00 1.00 C ATOM 658 O LEU P 40 0.615 -0.262 -1.184 1.00 1.00 O ATOM 659 CB LEU P 40 -1.883 -0.619 1.104 1.00 1.00 C ATOM 660 CG LEU P 40 -2.653 -0.240 -0.168 1.00 1.00 C ATOM 661 CD1 LEU P 40 -2.882 -1.481 -1.054 1.00 1.00 C ATOM 662 CD2 LEU P 40 -3.999 0.369 0.239 1.00 1.00 C ATOM 0 H LEU P 40 -0.314 -1.333 2.845 1.00 1.00 H new ATOM 0 HA LEU P 40 -0.611 -2.044 0.115 1.00 2.50 H new ATOM 0 HB2 LEU P 40 -2.445 -1.365 1.666 1.00 1.00 H new ATOM 0 HB3 LEU P 40 -1.782 0.255 1.747 1.00 1.00 H new ATOM 0 HG LEU P 40 -2.073 0.483 -0.742 1.00 1.00 H new ATOM 0 HD11 LEU P 40 -3.430 -1.192 -1.951 1.00 1.00 H new ATOM 0 HD12 LEU P 40 -1.920 -1.908 -1.338 1.00 1.00 H new ATOM 0 HD13 LEU P 40 -3.459 -2.222 -0.500 1.00 1.00 H new ATOM 0 HD21 LEU P 40 -4.559 0.644 -0.655 1.00 1.00 H new ATOM 0 HD22 LEU P 40 -4.569 -0.360 0.814 1.00 1.00 H new ATOM 0 HD23 LEU P 40 -3.827 1.257 0.847 1.00 1.00 H new ATOM 674 N ILE P 41 0.713 0.941 0.724 1.00 1.00 N ATOM 675 CA ILE P 41 1.500 2.012 0.133 1.00 2.07 C ATOM 676 C ILE P 41 2.853 1.459 -0.344 1.00 1.00 C ATOM 677 O ILE P 41 3.280 1.751 -1.461 1.00 1.00 O ATOM 678 CB ILE P 41 1.652 3.177 1.158 1.00 1.00 C ATOM 679 CG1 ILE P 41 0.422 4.131 1.110 1.00 1.00 C ATOM 680 CG2 ILE P 41 2.920 3.987 0.881 1.00 1.00 C ATOM 681 CD1 ILE P 41 -0.773 3.507 1.829 1.00 1.00 C ATOM 0 H ILE P 41 0.487 1.074 1.710 1.00 1.00 H new ATOM 0 HA ILE P 41 0.993 2.417 -0.743 1.00 2.07 H new ATOM 0 HB ILE P 41 1.719 2.727 2.149 1.00 1.00 H new ATOM 0 HG12 ILE P 41 0.676 5.084 1.575 1.00 1.00 H new ATOM 0 HG13 ILE P 41 0.159 4.342 0.073 1.00 1.00 H new ATOM 0 HG21 ILE P 41 3.003 4.794 1.610 1.00 1.00 H new ATOM 0 HG22 ILE P 41 3.791 3.337 0.959 1.00 1.00 H new ATOM 0 HG23 ILE P 41 2.870 4.409 -0.123 1.00 1.00 H new ATOM 0 HD11 ILE P 41 -1.622 4.189 1.784 1.00 1.00 H new ATOM 0 HD12 ILE P 41 -1.038 2.566 1.346 1.00 1.00 H new ATOM 0 HD13 ILE P 41 -0.513 3.319 2.871 1.00 1.00 H new ATOM 693 N PHE P 42 3.520 0.672 0.490 1.00 1.00 N ATOM 694 CA PHE P 42 4.810 0.105 0.112 1.00 2.39 C ATOM 695 C PHE P 42 4.671 -0.731 -1.158 1.00 1.00 C ATOM 696 O PHE P 42 5.450 -0.587 -2.097 1.00 1.00 O ATOM 697 CB PHE P 42 5.338 -0.769 1.249 1.00 1.00 C ATOM 698 CG PHE P 42 6.665 -1.386 0.858 1.00 1.00 C ATOM 699 CD1 PHE P 42 7.809 -0.584 0.766 1.00 1.00 C ATOM 700 CD2 PHE P 42 6.750 -2.761 0.589 1.00 1.00 C ATOM 701 CE1 PHE P 42 9.039 -1.154 0.404 1.00 1.00 C ATOM 702 CE2 PHE P 42 7.979 -3.329 0.228 1.00 1.00 C ATOM 703 CZ PHE P 42 9.123 -2.527 0.136 1.00 1.00 C ATOM 0 H PHE P 42 3.195 0.413 1.422 1.00 1.00 H new ATOM 0 HA PHE P 42 5.511 0.918 -0.079 1.00 2.39 H new ATOM 0 HB2 PHE P 42 5.458 -0.171 2.152 1.00 1.00 H new ATOM 0 HB3 PHE P 42 4.617 -1.553 1.480 1.00 1.00 H new ATOM 0 HD1 PHE P 42 7.745 0.474 0.974 1.00 1.00 H new ATOM 0 HD2 PHE P 42 5.869 -3.381 0.660 1.00 1.00 H new ATOM 0 HE1 PHE P 42 9.921 -0.535 0.332 1.00 1.00 H new ATOM 0 HE2 PHE P 42 8.044 -4.387 0.020 1.00 1.00 H new ATOM 0 HZ PHE P 42 10.070 -2.966 -0.141 1.00 1.00 H new ATOM 713 N LEU P 43 3.671 -1.603 -1.176 1.00 1.00 N ATOM 714 CA LEU P 43 3.435 -2.459 -2.335 1.00 2.50 C ATOM 715 C LEU P 43 3.095 -1.619 -3.563 1.00 1.00 C ATOM 716 O LEU P 43 3.563 -1.906 -4.664 1.00 1.00 O ATOM 717 CB LEU P 43 2.301 -3.452 -2.049 1.00 1.00 C ATOM 718 CG LEU P 43 2.752 -4.522 -1.033 1.00 1.00 C ATOM 719 CD1 LEU P 43 1.530 -5.327 -0.566 1.00 1.00 C ATOM 720 CD2 LEU P 43 3.795 -5.478 -1.670 1.00 1.00 C ATOM 0 H LEU P 43 3.014 -1.737 -0.408 1.00 1.00 H new ATOM 0 HA LEU P 43 4.349 -3.018 -2.536 1.00 2.50 H new ATOM 0 HB2 LEU P 43 1.434 -2.918 -1.661 1.00 1.00 H new ATOM 0 HB3 LEU P 43 1.990 -3.933 -2.977 1.00 1.00 H new ATOM 0 HG LEU P 43 3.215 -4.024 -0.181 1.00 1.00 H new ATOM 0 HD11 LEU P 43 1.846 -6.084 0.152 1.00 1.00 H new ATOM 0 HD12 LEU P 43 0.811 -4.657 -0.094 1.00 1.00 H new ATOM 0 HD13 LEU P 43 1.065 -5.812 -1.424 1.00 1.00 H new ATOM 0 HD21 LEU P 43 4.100 -6.225 -0.937 1.00 1.00 H new ATOM 0 HD22 LEU P 43 3.353 -5.976 -2.533 1.00 1.00 H new ATOM 0 HD23 LEU P 43 4.666 -4.906 -1.989 1.00 1.00 H new ATOM 732 N LEU P 44 2.287 -0.583 -3.366 1.00 1.00 N ATOM 733 CA LEU P 44 1.904 0.288 -4.469 1.00 2.17 C ATOM 734 C LEU P 44 3.129 1.028 -4.997 1.00 1.00 C ATOM 735 O LEU P 44 3.254 1.260 -6.202 1.00 1.00 O ATOM 736 CB LEU P 44 0.837 1.294 -4.018 1.00 1.00 C ATOM 737 CG LEU P 44 -0.538 0.612 -3.922 1.00 1.00 C ATOM 738 CD1 LEU P 44 -1.517 1.577 -3.239 1.00 1.00 C ATOM 739 CD2 LEU P 44 -1.072 0.233 -5.335 1.00 1.00 C ATOM 0 H LEU P 44 1.888 -0.328 -2.462 1.00 1.00 H new ATOM 0 HA LEU P 44 1.485 -0.326 -5.266 1.00 2.17 H new ATOM 0 HB2 LEU P 44 1.110 1.713 -3.050 1.00 1.00 H new ATOM 0 HB3 LEU P 44 0.790 2.124 -4.723 1.00 1.00 H new ATOM 0 HG LEU P 44 -0.442 -0.305 -3.341 1.00 1.00 H new ATOM 0 HD11 LEU P 44 -2.498 1.107 -3.163 1.00 1.00 H new ATOM 0 HD12 LEU P 44 -1.153 1.819 -2.241 1.00 1.00 H new ATOM 0 HD13 LEU P 44 -1.597 2.491 -3.827 1.00 1.00 H new ATOM 0 HD21 LEU P 44 -2.046 -0.248 -5.239 1.00 1.00 H new ATOM 0 HD22 LEU P 44 -1.170 1.134 -5.941 1.00 1.00 H new ATOM 0 HD23 LEU P 44 -0.374 -0.453 -5.816 1.00 1.00 H new ATOM 751 N LEU P 45 4.029 1.400 -4.093 1.00 1.00 N ATOM 752 CA LEU P 45 5.235 2.115 -4.491 1.00 2.28 C ATOM 753 C LEU P 45 6.081 1.244 -5.407 1.00 1.00 C ATOM 754 O LEU P 45 6.645 1.726 -6.387 1.00 1.00 O ATOM 755 CB LEU P 45 6.042 2.535 -3.250 1.00 1.00 C ATOM 756 CG LEU P 45 5.433 3.804 -2.614 1.00 1.00 C ATOM 757 CD1 LEU P 45 5.939 3.950 -1.177 1.00 1.00 C ATOM 758 CD2 LEU P 45 5.826 5.069 -3.417 1.00 1.00 C ATOM 0 H LEU P 45 3.948 1.221 -3.092 1.00 1.00 H new ATOM 0 HA LEU P 45 4.947 3.015 -5.034 1.00 2.28 H new ATOM 0 HB2 LEU P 45 6.050 1.724 -2.522 1.00 1.00 H new ATOM 0 HB3 LEU P 45 7.079 2.722 -3.529 1.00 1.00 H new ATOM 0 HG LEU P 45 4.348 3.704 -2.624 1.00 1.00 H new ATOM 0 HD11 LEU P 45 5.509 4.846 -0.729 1.00 1.00 H new ATOM 0 HD12 LEU P 45 5.643 3.076 -0.597 1.00 1.00 H new ATOM 0 HD13 LEU P 45 7.026 4.032 -1.181 1.00 1.00 H new ATOM 0 HD21 LEU P 45 5.385 5.949 -2.949 1.00 1.00 H new ATOM 0 HD22 LEU P 45 6.911 5.170 -3.429 1.00 1.00 H new ATOM 0 HD23 LEU P 45 5.459 4.980 -4.439 1.00 1.00 H new ATOM 770 N ILE P 46 6.159 -0.037 -5.087 1.00 1.00 N ATOM 771 CA ILE P 46 6.933 -0.961 -5.890 1.00 2.15 C ATOM 772 C ILE P 46 6.316 -1.040 -7.283 1.00 1.00 C ATOM 773 O ILE P 46 7.017 -1.027 -8.297 1.00 1.00 O ATOM 774 CB ILE P 46 6.926 -2.337 -5.215 1.00 1.00 C ATOM 775 CG1 ILE P 46 7.741 -2.265 -3.914 1.00 1.00 C ATOM 776 CG2 ILE P 46 7.547 -3.366 -6.144 1.00 1.00 C ATOM 777 CD1 ILE P 46 7.533 -3.541 -3.090 1.00 1.00 C ATOM 0 H ILE P 46 5.697 -0.457 -4.280 1.00 1.00 H new ATOM 0 HA ILE P 46 7.965 -0.620 -5.979 1.00 2.15 H new ATOM 0 HB ILE P 46 5.900 -2.628 -4.992 1.00 1.00 H new ATOM 0 HG12 ILE P 46 8.799 -2.141 -4.145 1.00 1.00 H new ATOM 0 HG13 ILE P 46 7.437 -1.394 -3.333 1.00 1.00 H new ATOM 0 HG21 ILE P 46 7.540 -4.343 -5.661 1.00 1.00 H new ATOM 0 HG22 ILE P 46 6.973 -3.415 -7.069 1.00 1.00 H new ATOM 0 HG23 ILE P 46 8.574 -3.080 -6.369 1.00 1.00 H new ATOM 0 HD11 ILE P 46 8.115 -3.479 -2.170 1.00 1.00 H new ATOM 0 HD12 ILE P 46 6.476 -3.647 -2.844 1.00 1.00 H new ATOM 0 HD13 ILE P 46 7.860 -4.405 -3.669 1.00 1.00 H new ATOM 789 N ALA P 47 4.994 -1.117 -7.308 1.00 1.00 N ATOM 790 CA ALA P 47 4.273 -1.195 -8.567 1.00 2.11 C ATOM 791 C ALA P 47 4.615 0.013 -9.434 1.00 1.00 C ATOM 792 O ALA P 47 4.946 -0.128 -10.608 1.00 1.00 O ATOM 793 CB ALA P 47 2.766 -1.238 -8.316 1.00 1.00 C ATOM 0 H ALA P 47 4.403 -1.127 -6.477 1.00 1.00 H new ATOM 0 HA ALA P 47 4.570 -2.108 -9.084 1.00 2.11 H new ATOM 0 HB1 ALA P 47 2.240 -1.296 -9.269 1.00 1.00 H new ATOM 0 HB2 ALA P 47 2.522 -2.113 -7.713 1.00 1.00 H new ATOM 0 HB3 ALA P 47 2.459 -0.336 -7.787 1.00 1.00 H new ATOM 799 N ILE P 48 4.529 1.199 -8.843 1.00 1.00 N ATOM 800 CA ILE P 48 4.829 2.423 -9.572 1.00 2.90 C ATOM 801 C ILE P 48 6.283 2.429 -10.040 1.00 1.00 C ATOM 802 O ILE P 48 6.570 2.790 -11.180 1.00 1.00 O ATOM 803 CB ILE P 48 4.558 3.637 -8.675 1.00 1.00 C ATOM 804 CG1 ILE P 48 3.051 3.733 -8.414 1.00 1.00 C ATOM 805 CG2 ILE P 48 5.042 4.919 -9.362 1.00 1.00 C ATOM 806 CD1 ILE P 48 2.772 4.765 -7.320 1.00 1.00 C ATOM 0 H ILE P 48 4.256 1.338 -7.870 1.00 1.00 H new ATOM 0 HA ILE P 48 4.187 2.474 -10.451 1.00 2.90 H new ATOM 0 HB ILE P 48 5.094 3.520 -7.733 1.00 1.00 H new ATOM 0 HG12 ILE P 48 2.532 4.014 -9.331 1.00 1.00 H new ATOM 0 HG13 ILE P 48 2.663 2.760 -8.114 1.00 1.00 H new ATOM 0 HG21 ILE P 48 4.845 5.775 -8.716 1.00 1.00 H new ATOM 0 HG22 ILE P 48 6.113 4.848 -9.553 1.00 1.00 H new ATOM 0 HG23 ILE P 48 4.513 5.048 -10.306 1.00 1.00 H new ATOM 0 HD11 ILE P 48 1.698 4.826 -7.142 1.00 1.00 H new ATOM 0 HD12 ILE P 48 3.276 4.466 -6.401 1.00 1.00 H new ATOM 0 HD13 ILE P 48 3.143 5.740 -7.636 1.00 1.00 H new ATOM 818 N ILE P 49 7.191 2.027 -9.160 1.00 1.00 N ATOM 819 CA ILE P 49 8.611 1.992 -9.505 1.00 1.00 C ATOM 820 C ILE P 49 8.858 0.985 -10.618 1.00 1.00 C ATOM 821 O ILE P 49 9.576 1.266 -11.578 1.00 1.00 O ATOM 822 CB ILE P 49 9.428 1.613 -8.268 1.00 1.00 C ATOM 823 CG1 ILE P 49 9.384 2.769 -7.262 1.00 1.00 C ATOM 824 CG2 ILE P 49 10.886 1.318 -8.652 1.00 1.00 C ATOM 825 CD1 ILE P 49 9.895 2.284 -5.903 1.00 1.00 C ATOM 0 H ILE P 49 6.975 1.723 -8.211 1.00 1.00 H new ATOM 0 HA ILE P 49 8.917 2.978 -9.853 1.00 1.00 H new ATOM 0 HB ILE P 49 9.000 0.715 -7.822 1.00 1.00 H new ATOM 0 HG12 ILE P 49 9.996 3.598 -7.618 1.00 1.00 H new ATOM 0 HG13 ILE P 49 8.365 3.143 -7.167 1.00 1.00 H new ATOM 0 HG21 ILE P 49 11.451 1.050 -7.759 1.00 1.00 H new ATOM 0 HG22 ILE P 49 10.915 0.491 -9.361 1.00 1.00 H new ATOM 0 HG23 ILE P 49 11.328 2.203 -9.109 1.00 1.00 H new ATOM 0 HD11 ILE P 49 9.864 3.106 -5.188 1.00 1.00 H new ATOM 0 HD12 ILE P 49 9.265 1.469 -5.547 1.00 1.00 H new ATOM 0 HD13 ILE P 49 10.921 1.931 -6.005 1.00 1.00 H new ATOM 837 N VAL P 50 8.257 -0.186 -10.485 1.00 1.00 N ATOM 838 CA VAL P 50 8.424 -1.217 -11.497 1.00 1.00 C ATOM 839 C VAL P 50 7.834 -0.703 -12.800 1.00 1.00 C ATOM 840 O VAL P 50 8.457 -0.784 -13.859 1.00 1.00 O ATOM 841 CB VAL P 50 7.726 -2.514 -11.057 1.00 1.00 C ATOM 842 CG1 VAL P 50 7.687 -3.509 -12.220 1.00 1.00 C ATOM 843 CG2 VAL P 50 8.501 -3.132 -9.885 1.00 1.00 C ATOM 0 H VAL P 50 7.659 -0.444 -9.700 1.00 1.00 H new ATOM 0 HA VAL P 50 9.482 -1.442 -11.635 1.00 1.00 H new ATOM 0 HB VAL P 50 6.706 -2.286 -10.748 1.00 1.00 H new ATOM 0 HG11 VAL P 50 7.191 -4.425 -11.899 1.00 1.00 H new ATOM 0 HG12 VAL P 50 7.138 -3.072 -13.054 1.00 1.00 H new ATOM 0 HG13 VAL P 50 8.704 -3.739 -12.536 1.00 1.00 H new ATOM 0 HG21 VAL P 50 8.010 -4.052 -9.569 1.00 1.00 H new ATOM 0 HG22 VAL P 50 9.521 -3.354 -10.200 1.00 1.00 H new ATOM 0 HG23 VAL P 50 8.524 -2.429 -9.053 1.00 1.00 H new ATOM 853 N MET P 51 6.621 -0.166 -12.706 1.00 1.00 N ATOM 854 CA MET P 51 5.932 0.373 -13.861 1.00 1.00 C ATOM 855 C MET P 51 6.682 1.582 -14.410 1.00 1.00 C ATOM 856 O MET P 51 6.626 1.856 -15.607 1.00 1.00 O ATOM 857 CB MET P 51 4.506 0.804 -13.478 1.00 1.00 C ATOM 858 CG MET P 51 3.604 -0.398 -13.012 1.00 1.00 C ATOM 859 SD MET P 51 4.547 -1.936 -12.749 1.00 1.00 S ATOM 860 CE MET P 51 4.410 -2.635 -14.412 1.00 1.00 C ATOM 0 H MET P 51 6.097 -0.095 -11.834 1.00 1.00 H new ATOM 0 HA MET P 51 5.887 -0.405 -14.623 1.00 1.00 H new ATOM 0 HB2 MET P 51 4.558 1.543 -12.678 1.00 1.00 H new ATOM 0 HB3 MET P 51 4.038 1.292 -14.333 1.00 1.00 H new ATOM 0 HG2 MET P 51 3.097 -0.127 -12.086 1.00 1.00 H new ATOM 0 HG3 MET P 51 2.831 -0.576 -13.759 1.00 1.00 H new ATOM 0 HE1 MET P 51 3.627 -3.393 -14.425 1.00 1.00 H new ATOM 0 HE2 MET P 51 4.161 -1.844 -15.120 1.00 1.00 H new ATOM 0 HE3 MET P 51 5.359 -3.090 -14.695 1.00 1.00 H new ATOM 870 N LEU P 52 7.377 2.310 -13.533 1.00 1.00 N ATOM 871 CA LEU P 52 8.120 3.490 -13.972 1.00 1.00 C ATOM 872 C LEU P 52 9.170 3.109 -15.004 1.00 1.00 C ATOM 873 O LEU P 52 9.382 3.830 -15.977 1.00 1.00 O ATOM 874 CB LEU P 52 8.785 4.193 -12.774 1.00 1.00 C ATOM 875 CG LEU P 52 9.604 5.418 -13.237 1.00 1.00 C ATOM 876 CD1 LEU P 52 8.717 6.394 -14.034 1.00 1.00 C ATOM 877 CD2 LEU P 52 10.172 6.121 -11.995 1.00 1.00 C ATOM 0 H LEU P 52 7.440 2.108 -12.535 1.00 1.00 H new ATOM 0 HA LEU P 52 7.414 4.181 -14.432 1.00 1.00 H new ATOM 0 HB2 LEU P 52 8.021 4.509 -12.063 1.00 1.00 H new ATOM 0 HB3 LEU P 52 9.436 3.492 -12.252 1.00 1.00 H new ATOM 0 HG LEU P 52 10.414 5.090 -13.888 1.00 1.00 H new ATOM 0 HD11 LEU P 52 9.312 7.250 -14.351 1.00 1.00 H new ATOM 0 HD12 LEU P 52 8.315 5.887 -14.911 1.00 1.00 H new ATOM 0 HD13 LEU P 52 7.896 6.736 -13.404 1.00 1.00 H new ATOM 0 HD21 LEU P 52 10.754 6.990 -12.303 1.00 1.00 H new ATOM 0 HD22 LEU P 52 9.353 6.443 -11.352 1.00 1.00 H new ATOM 0 HD23 LEU P 52 10.813 5.430 -11.447 1.00 1.00 H new ATOM 889 N LEU P 53 9.826 1.978 -14.793 1.00 1.00 N ATOM 890 CA LEU P 53 10.852 1.523 -15.720 1.00 1.00 C ATOM 891 C LEU P 53 10.206 0.864 -16.937 1.00 1.00 C ATOM 892 O LEU P 53 10.903 0.659 -17.915 1.00 1.00 O ATOM 893 CB LEU P 53 11.777 0.523 -15.025 1.00 1.00 C ATOM 894 CG LEU P 53 12.292 1.110 -13.704 1.00 1.00 C ATOM 895 CD1 LEU P 53 13.133 0.057 -12.984 1.00 1.00 C ATOM 896 CD2 LEU P 53 13.154 2.356 -13.979 1.00 1.00 C ATOM 897 OXT LEU P 53 9.023 0.577 -16.869 1.00 1.00 O ATOM 0 H LEU P 53 9.669 1.362 -13.995 1.00 1.00 H new ATOM 0 HA LEU P 53 11.435 2.384 -16.048 1.00 1.00 H new ATOM 0 HB2 LEU P 53 11.242 -0.407 -14.834 1.00 1.00 H new ATOM 0 HB3 LEU P 53 12.617 0.280 -15.676 1.00 1.00 H new ATOM 0 HG LEU P 53 11.444 1.397 -13.082 1.00 1.00 H new ATOM 0 HD11 LEU P 53 13.503 0.467 -12.044 1.00 1.00 H new ATOM 0 HD12 LEU P 53 12.520 -0.821 -12.781 1.00 1.00 H new ATOM 0 HD13 LEU P 53 13.977 -0.227 -13.613 1.00 1.00 H new ATOM 0 HD21 LEU P 53 13.514 2.765 -13.035 1.00 1.00 H new ATOM 0 HD22 LEU P 53 14.004 2.080 -14.603 1.00 1.00 H new ATOM 0 HD23 LEU P 53 12.555 3.107 -14.494 1.00 1.00 H new TER 909 LEU P 53