USER MOD reduce.3.24.130724 H: found=0, std=0, add=327, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 327 hydrogens (2 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 : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.0271 X(o=-0.027,f=-0.027) USER MOD Single : A 10 SER OG : rot 180:sc= -0.0182 USER MOD Single : A 16 ASN : amide:sc= -0.203 K(o=-0.2,f=-2.7!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= -0.28 K(o=-0.28,f=-1.6!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 4.574 1.188 -28.198 1.00 0.00 N ATOM 2 CA PRO A 1 5.671 0.232 -28.458 1.00 0.00 C ATOM 3 C PRO A 1 5.905 -0.694 -27.265 1.00 0.00 C ATOM 4 O PRO A 1 7.043 -1.028 -26.938 1.00 0.00 O ATOM 5 CB PRO A 1 6.920 1.054 -28.754 1.00 0.00 C ATOM 6 CG PRO A 1 6.550 2.452 -28.371 1.00 0.00 C ATOM 7 CD PRO A 1 5.044 2.554 -28.486 1.00 0.00 C ATOM 0 H2 PRO A 1 4.270 1.118 -27.227 1.00 0.00 H new ATOM 0 H3 PRO A 1 3.767 0.964 -28.780 1.00 0.00 H new ATOM 0 HA PRO A 1 5.416 -0.410 -29.301 1.00 0.00 H new ATOM 0 HB2 PRO A 1 7.775 0.698 -28.179 1.00 0.00 H new ATOM 0 HB3 PRO A 1 7.196 0.991 -29.807 1.00 0.00 H new ATOM 0 HG2 PRO A 1 6.876 2.673 -27.355 1.00 0.00 H new ATOM 0 HG3 PRO A 1 7.037 3.174 -29.026 1.00 0.00 H new ATOM 0 HD2 PRO A 1 4.637 3.275 -27.777 1.00 0.00 H new ATOM 0 HD3 PRO A 1 4.740 2.880 -29.481 1.00 0.00 H new ATOM 15 N ASP A 2 4.816 -1.104 -26.620 1.00 0.00 N ATOM 16 CA ASP A 2 4.899 -1.994 -25.465 1.00 0.00 C ATOM 17 C ASP A 2 5.649 -1.328 -24.316 1.00 0.00 C ATOM 18 O ASP A 2 6.630 -0.614 -24.532 1.00 0.00 O ATOM 19 CB ASP A 2 5.587 -3.304 -25.850 1.00 0.00 C ATOM 20 CG ASP A 2 4.595 -4.406 -26.164 1.00 0.00 C ATOM 21 OD1 ASP A 2 3.819 -4.249 -27.130 1.00 0.00 O ATOM 22 OD2 ASP A 2 4.593 -5.427 -25.444 1.00 0.00 O ATOM 0 H ASP A 2 3.866 -0.835 -26.877 1.00 0.00 H new ATOM 0 HA ASP A 2 3.884 -2.211 -25.133 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.225 -3.135 -26.717 1.00 0.00 H new ATOM 0 HB3 ASP A 2 6.236 -3.624 -25.035 1.00 0.00 H new ATOM 27 N LYS A 3 5.181 -1.565 -23.096 1.00 0.00 N ATOM 28 CA LYS A 3 5.802 -0.994 -21.914 1.00 0.00 C ATOM 29 C LYS A 3 6.792 -1.971 -21.284 1.00 0.00 C ATOM 30 O LYS A 3 7.738 -1.563 -20.613 1.00 0.00 O ATOM 31 CB LYS A 3 4.735 -0.599 -20.891 1.00 0.00 C ATOM 32 CG LYS A 3 3.814 0.512 -21.371 1.00 0.00 C ATOM 33 CD LYS A 3 2.607 -0.044 -22.110 1.00 0.00 C ATOM 34 CE LYS A 3 1.944 1.019 -22.971 1.00 0.00 C ATOM 35 NZ LYS A 3 1.341 0.440 -24.202 1.00 0.00 N ATOM 0 H LYS A 3 4.370 -2.152 -22.903 1.00 0.00 H new ATOM 0 HA LYS A 3 6.350 -0.103 -22.221 1.00 0.00 H new ATOM 0 HB2 LYS A 3 4.136 -1.476 -20.646 1.00 0.00 H new ATOM 0 HB3 LYS A 3 5.226 -0.281 -19.971 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.479 1.102 -20.518 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.366 1.185 -22.028 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.916 -0.881 -22.736 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.886 -0.433 -21.391 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.172 1.525 -22.392 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.681 1.773 -23.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.899 1.197 -24.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.082 -0.021 -24.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.620 -0.261 -23.938 1.00 0.00 H new ATOM 49 N ASP A 4 6.558 -3.265 -21.502 1.00 0.00 N ATOM 50 CA ASP A 4 7.420 -4.313 -20.956 1.00 0.00 C ATOM 51 C ASP A 4 7.725 -4.063 -19.483 1.00 0.00 C ATOM 52 O ASP A 4 8.795 -4.420 -18.990 1.00 0.00 O ATOM 53 CB ASP A 4 8.722 -4.411 -21.761 1.00 0.00 C ATOM 54 CG ASP A 4 9.619 -3.202 -21.578 1.00 0.00 C ATOM 55 OD1 ASP A 4 10.285 -3.111 -20.524 1.00 0.00 O ATOM 56 OD2 ASP A 4 9.657 -2.348 -22.488 1.00 0.00 O ATOM 0 H ASP A 4 5.775 -3.614 -22.055 1.00 0.00 H new ATOM 0 HA ASP A 4 6.887 -5.260 -21.035 1.00 0.00 H new ATOM 0 HB2 ASP A 4 9.263 -5.308 -21.460 1.00 0.00 H new ATOM 0 HB3 ASP A 4 8.482 -4.523 -22.818 1.00 0.00 H new ATOM 61 N PHE A 5 6.776 -3.444 -18.789 1.00 0.00 N ATOM 62 CA PHE A 5 6.938 -3.143 -17.371 1.00 0.00 C ATOM 63 C PHE A 5 5.775 -3.706 -16.560 1.00 0.00 C ATOM 64 O PHE A 5 4.946 -2.959 -16.041 1.00 0.00 O ATOM 65 CB PHE A 5 7.042 -1.631 -17.160 1.00 0.00 C ATOM 66 CG PHE A 5 7.995 -1.242 -16.066 1.00 0.00 C ATOM 67 CD1 PHE A 5 7.973 -1.895 -14.844 1.00 0.00 C ATOM 68 CD2 PHE A 5 8.912 -0.223 -16.259 1.00 0.00 C ATOM 69 CE1 PHE A 5 8.849 -1.540 -13.835 1.00 0.00 C ATOM 70 CE2 PHE A 5 9.790 0.139 -15.255 1.00 0.00 C ATOM 71 CZ PHE A 5 9.759 -0.521 -14.041 1.00 0.00 C ATOM 0 H PHE A 5 5.886 -3.141 -19.185 1.00 0.00 H new ATOM 0 HA PHE A 5 7.858 -3.614 -17.025 1.00 0.00 H new ATOM 0 HB2 PHE A 5 7.361 -1.163 -18.092 1.00 0.00 H new ATOM 0 HB3 PHE A 5 6.053 -1.236 -16.927 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.263 -2.691 -14.678 1.00 0.00 H new ATOM 0 HD2 PHE A 5 8.942 0.296 -17.206 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.822 -2.058 -12.888 1.00 0.00 H new ATOM 0 HE2 PHE A 5 10.499 0.937 -15.419 1.00 0.00 H new ATOM 0 HZ PHE A 5 10.445 -0.241 -13.255 1.00 0.00 H new ATOM 81 N ILE A 6 5.721 -5.034 -16.452 1.00 0.00 N ATOM 82 CA ILE A 6 4.665 -5.706 -15.703 1.00 0.00 C ATOM 83 C ILE A 6 3.292 -5.116 -16.029 1.00 0.00 C ATOM 84 O ILE A 6 2.630 -4.539 -15.166 1.00 0.00 O ATOM 85 CB ILE A 6 4.924 -5.612 -14.187 1.00 0.00 C ATOM 86 CG1 ILE A 6 6.265 -6.258 -13.838 1.00 0.00 C ATOM 87 CG2 ILE A 6 3.795 -6.270 -13.403 1.00 0.00 C ATOM 88 CD1 ILE A 6 6.975 -5.590 -12.680 1.00 0.00 C ATOM 0 H ILE A 6 6.400 -5.665 -16.877 1.00 0.00 H new ATOM 0 HA ILE A 6 4.671 -6.755 -16.000 1.00 0.00 H new ATOM 0 HB ILE A 6 4.961 -4.559 -13.909 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.101 -7.308 -13.596 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.912 -6.230 -14.715 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.000 -6.191 -12.335 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.854 -5.769 -13.630 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.723 -7.321 -13.682 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.919 -6.101 -12.488 1.00 0.00 H new ATOM 0 HD12 ILE A 6 7.171 -4.546 -12.926 1.00 0.00 H new ATOM 0 HD13 ILE A 6 6.348 -5.641 -11.790 1.00 0.00 H new ATOM 100 N VAL A 7 2.875 -5.264 -17.281 1.00 0.00 N ATOM 101 CA VAL A 7 1.594 -4.748 -17.728 1.00 0.00 C ATOM 102 C VAL A 7 0.502 -5.809 -17.620 1.00 0.00 C ATOM 103 O VAL A 7 -0.173 -6.125 -18.599 1.00 0.00 O ATOM 104 CB VAL A 7 1.668 -4.245 -19.183 1.00 0.00 C ATOM 105 CG1 VAL A 7 0.372 -3.550 -19.576 1.00 0.00 C ATOM 106 CG2 VAL A 7 2.857 -3.313 -19.365 1.00 0.00 C ATOM 0 H VAL A 7 3.412 -5.741 -18.006 1.00 0.00 H new ATOM 0 HA VAL A 7 1.346 -3.911 -17.075 1.00 0.00 H new ATOM 0 HB VAL A 7 1.805 -5.105 -19.839 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.444 -3.202 -20.606 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.458 -4.251 -19.487 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.201 -2.699 -18.917 1.00 0.00 H new ATOM 0 HG21 VAL A 7 2.894 -2.968 -20.398 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.753 -2.456 -18.699 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.777 -3.847 -19.128 1.00 0.00 H new ATOM 116 N ASN A 8 0.331 -6.355 -16.420 1.00 0.00 N ATOM 117 CA ASN A 8 -0.680 -7.379 -16.186 1.00 0.00 C ATOM 118 C ASN A 8 -1.438 -7.117 -14.885 1.00 0.00 C ATOM 119 O ASN A 8 -1.317 -7.874 -13.922 1.00 0.00 O ATOM 120 CB ASN A 8 -0.032 -8.764 -16.142 1.00 0.00 C ATOM 121 CG ASN A 8 0.582 -9.158 -17.472 1.00 0.00 C ATOM 122 OD1 ASN A 8 -0.104 -9.665 -18.359 1.00 0.00 O ATOM 123 ND2 ASN A 8 1.881 -8.926 -17.615 1.00 0.00 N ATOM 0 H ASN A 8 0.879 -6.106 -15.596 1.00 0.00 H new ATOM 0 HA ASN A 8 -1.392 -7.343 -17.011 1.00 0.00 H new ATOM 0 HB2 ASN A 8 0.739 -8.777 -15.371 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.781 -9.503 -15.857 1.00 0.00 H new ATOM 0 HD21 ASN A 8 2.350 -9.170 -18.487 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.411 -8.504 -16.852 1.00 0.00 H new ATOM 130 N PRO A 9 -2.236 -6.034 -14.840 1.00 0.00 N ATOM 131 CA PRO A 9 -3.016 -5.668 -13.666 1.00 0.00 C ATOM 132 C PRO A 9 -4.377 -6.359 -13.640 1.00 0.00 C ATOM 133 O PRO A 9 -5.406 -5.717 -13.434 1.00 0.00 O ATOM 134 CB PRO A 9 -3.184 -4.146 -13.809 1.00 0.00 C ATOM 135 CG PRO A 9 -2.693 -3.788 -15.184 1.00 0.00 C ATOM 136 CD PRO A 9 -2.449 -5.077 -15.924 1.00 0.00 C ATOM 0 HA PRO A 9 -2.527 -5.968 -12.739 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.228 -3.858 -13.683 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.613 -3.619 -13.044 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.429 -3.178 -15.708 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.777 -3.201 -15.124 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.300 -5.354 -16.547 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.582 -5.009 -16.581 1.00 0.00 H new ATOM 144 N SER A 10 -4.373 -7.671 -13.851 1.00 0.00 N ATOM 145 CA SER A 10 -5.601 -8.448 -13.853 1.00 0.00 C ATOM 146 C SER A 10 -5.480 -9.662 -12.939 1.00 0.00 C ATOM 147 O SER A 10 -5.973 -10.744 -13.258 1.00 0.00 O ATOM 148 CB SER A 10 -5.950 -8.892 -15.274 1.00 0.00 C ATOM 149 OG SER A 10 -5.093 -9.934 -15.708 1.00 0.00 O ATOM 0 H SER A 10 -3.529 -8.217 -14.023 1.00 0.00 H new ATOM 0 HA SER A 10 -6.402 -7.813 -13.475 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.986 -9.231 -15.309 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.869 -8.044 -15.954 1.00 0.00 H new ATOM 0 HG SER A 10 -5.338 -10.201 -16.619 1.00 0.00 H new ATOM 155 N ASP A 11 -4.822 -9.474 -11.799 1.00 0.00 N ATOM 156 CA ASP A 11 -4.639 -10.553 -10.835 1.00 0.00 C ATOM 157 C ASP A 11 -4.259 -10.000 -9.466 1.00 0.00 C ATOM 158 O ASP A 11 -3.435 -10.578 -8.758 1.00 0.00 O ATOM 159 CB ASP A 11 -3.564 -11.527 -11.325 1.00 0.00 C ATOM 160 CG ASP A 11 -2.214 -10.860 -11.495 1.00 0.00 C ATOM 161 OD1 ASP A 11 -2.182 -9.638 -11.745 1.00 0.00 O ATOM 162 OD2 ASP A 11 -1.186 -11.562 -11.379 1.00 0.00 O ATOM 0 H ASP A 11 -4.407 -8.585 -11.521 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.584 -11.087 -10.740 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.473 -12.350 -10.616 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.875 -11.959 -12.276 1.00 0.00 H new ATOM 167 N LEU A 12 -4.867 -8.877 -9.102 1.00 0.00 N ATOM 168 CA LEU A 12 -4.598 -8.242 -7.820 1.00 0.00 C ATOM 169 C LEU A 12 -5.654 -7.184 -7.509 1.00 0.00 C ATOM 170 O LEU A 12 -5.345 -5.997 -7.396 1.00 0.00 O ATOM 171 CB LEU A 12 -3.205 -7.611 -7.822 1.00 0.00 C ATOM 172 CG LEU A 12 -2.561 -7.475 -6.443 1.00 0.00 C ATOM 173 CD1 LEU A 12 -3.476 -6.704 -5.506 1.00 0.00 C ATOM 174 CD2 LEU A 12 -2.241 -8.849 -5.871 1.00 0.00 C ATOM 0 H LEU A 12 -5.551 -8.387 -9.679 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.637 -9.007 -7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.551 -8.210 -8.455 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.270 -6.622 -8.276 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.629 -6.920 -6.546 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.004 -6.615 -4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.658 -5.709 -5.912 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.423 -7.234 -5.405 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.783 -8.736 -4.888 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.160 -9.428 -5.779 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.551 -9.368 -6.536 1.00 0.00 H new ATOM 186 N VAL A 13 -6.900 -7.623 -7.371 1.00 0.00 N ATOM 187 CA VAL A 13 -8.001 -6.715 -7.073 1.00 0.00 C ATOM 188 C VAL A 13 -9.146 -7.449 -6.381 1.00 0.00 C ATOM 189 O VAL A 13 -10.144 -7.803 -7.010 1.00 0.00 O ATOM 190 CB VAL A 13 -8.525 -6.037 -8.355 1.00 0.00 C ATOM 191 CG1 VAL A 13 -9.019 -7.077 -9.350 1.00 0.00 C ATOM 192 CG2 VAL A 13 -9.624 -5.037 -8.024 1.00 0.00 C ATOM 0 H VAL A 13 -7.173 -8.602 -7.461 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.615 -5.949 -6.401 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.700 -5.493 -8.816 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.384 -6.577 -10.247 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.200 -7.745 -9.615 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.827 -7.654 -8.902 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.980 -4.570 -8.942 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.451 -5.553 -7.536 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.230 -4.271 -7.357 1.00 0.00 H new ATOM 202 N LEU A 14 -8.997 -7.673 -5.080 1.00 0.00 N ATOM 203 CA LEU A 14 -10.019 -8.362 -4.301 1.00 0.00 C ATOM 204 C LEU A 14 -9.742 -8.238 -2.807 1.00 0.00 C ATOM 205 O LEU A 14 -9.323 -9.198 -2.160 1.00 0.00 O ATOM 206 CB LEU A 14 -10.088 -9.836 -4.703 1.00 0.00 C ATOM 207 CG LEU A 14 -8.757 -10.588 -4.639 1.00 0.00 C ATOM 208 CD1 LEU A 14 -8.996 -12.078 -4.452 1.00 0.00 C ATOM 209 CD2 LEU A 14 -7.940 -10.329 -5.896 1.00 0.00 C ATOM 0 H LEU A 14 -8.178 -7.387 -4.543 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.980 -7.892 -4.511 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.804 -10.340 -4.055 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.477 -9.902 -5.719 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.193 -10.222 -3.781 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.039 -12.597 -4.409 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.542 -12.245 -3.524 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.579 -12.461 -5.290 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.996 -10.871 -5.835 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.498 -10.669 -6.769 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.740 -9.261 -5.986 1.00 0.00 H new ATOM 221 N ASP A 15 -9.982 -7.049 -2.263 1.00 0.00 N ATOM 222 CA ASP A 15 -9.762 -6.797 -0.845 1.00 0.00 C ATOM 223 C ASP A 15 -10.182 -5.378 -0.474 1.00 0.00 C ATOM 224 O ASP A 15 -9.537 -4.722 0.345 1.00 0.00 O ATOM 225 CB ASP A 15 -8.289 -7.013 -0.488 1.00 0.00 C ATOM 226 CG ASP A 15 -8.102 -7.462 0.947 1.00 0.00 C ATOM 227 OD1 ASP A 15 -8.120 -6.597 1.847 1.00 0.00 O ATOM 228 OD2 ASP A 15 -7.938 -8.681 1.171 1.00 0.00 O ATOM 0 H ASP A 15 -10.329 -6.244 -2.785 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.373 -7.500 -0.278 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.861 -7.759 -1.158 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.739 -6.086 -0.650 1.00 0.00 H new ATOM 233 N ASN A 16 -11.267 -4.908 -1.083 1.00 0.00 N ATOM 234 CA ASN A 16 -11.773 -3.567 -0.816 1.00 0.00 C ATOM 235 C ASN A 16 -10.710 -2.515 -1.123 1.00 0.00 C ATOM 236 O ASN A 16 -10.564 -1.533 -0.395 1.00 0.00 O ATOM 237 CB ASN A 16 -12.223 -3.447 0.642 1.00 0.00 C ATOM 238 CG ASN A 16 -13.528 -2.690 0.783 1.00 0.00 C ATOM 239 OD1 ASN A 16 -14.270 -2.519 -0.186 1.00 0.00 O ATOM 240 ND2 ASN A 16 -13.818 -2.233 1.996 1.00 0.00 N ATOM 0 H ASN A 16 -11.812 -5.436 -1.764 1.00 0.00 H new ATOM 0 HA ASN A 16 -12.630 -3.393 -1.466 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -12.337 -4.444 1.068 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.448 -2.941 1.218 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -14.684 -1.718 2.153 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -13.175 -2.397 2.770 1.00 0.00 H new ATOM 247 N LYS A 17 -9.969 -2.731 -2.204 1.00 0.00 N ATOM 248 CA LYS A 17 -8.917 -1.805 -2.610 1.00 0.00 C ATOM 249 C LYS A 17 -7.886 -1.633 -1.499 1.00 0.00 C ATOM 250 O LYS A 17 -7.358 -0.541 -1.289 1.00 0.00 O ATOM 251 CB LYS A 17 -9.514 -0.449 -2.985 1.00 0.00 C ATOM 252 CG LYS A 17 -10.209 -0.444 -4.337 1.00 0.00 C ATOM 253 CD LYS A 17 -10.612 0.961 -4.752 1.00 0.00 C ATOM 254 CE LYS A 17 -12.027 1.290 -4.305 1.00 0.00 C ATOM 255 NZ LYS A 17 -12.318 2.746 -4.410 1.00 0.00 N ATOM 0 H LYS A 17 -10.077 -3.540 -2.816 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.417 -2.224 -3.483 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.228 -0.151 -2.217 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.721 0.299 -2.990 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.546 -0.870 -5.090 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.093 -1.080 -4.295 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.917 1.682 -4.322 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.540 1.056 -5.835 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.739 0.733 -4.914 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.167 0.965 -3.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.292 2.929 -4.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -11.655 3.277 -3.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.210 3.051 -5.398 1.00 0.00 H new ATOM 269 N ALA A 18 -7.610 -2.721 -0.792 1.00 0.00 N ATOM 270 CA ALA A 18 -6.649 -2.702 0.299 1.00 0.00 C ATOM 271 C ALA A 18 -5.229 -2.910 -0.217 1.00 0.00 C ATOM 272 O ALA A 18 -4.374 -2.034 -0.081 1.00 0.00 O ATOM 273 CB ALA A 18 -7.000 -3.764 1.330 1.00 0.00 C ATOM 0 H ALA A 18 -8.041 -3.631 -0.957 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.695 -1.722 0.774 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -6.272 -3.738 2.141 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.995 -3.569 1.729 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.984 -4.747 0.859 1.00 0.00 H new ATOM 279 N ALA A 19 -4.986 -4.074 -0.809 1.00 0.00 N ATOM 280 CA ALA A 19 -3.670 -4.400 -1.345 1.00 0.00 C ATOM 281 C ALA A 19 -3.269 -3.440 -2.460 1.00 0.00 C ATOM 282 O ALA A 19 -2.090 -3.325 -2.795 1.00 0.00 O ATOM 283 CB ALA A 19 -3.649 -5.835 -1.849 1.00 0.00 C ATOM 0 H ALA A 19 -5.684 -4.808 -0.930 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.944 -4.295 -0.539 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.661 -6.066 -2.247 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.877 -6.513 -1.026 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.394 -5.955 -2.635 1.00 0.00 H new ATOM 289 N LEU A 20 -4.250 -2.750 -3.035 1.00 0.00 N ATOM 290 CA LEU A 20 -3.987 -1.802 -4.111 1.00 0.00 C ATOM 291 C LEU A 20 -2.980 -0.745 -3.668 1.00 0.00 C ATOM 292 O LEU A 20 -2.207 -0.233 -4.476 1.00 0.00 O ATOM 293 CB LEU A 20 -5.289 -1.134 -4.562 1.00 0.00 C ATOM 294 CG LEU A 20 -5.572 -1.214 -6.063 1.00 0.00 C ATOM 295 CD1 LEU A 20 -4.469 -0.524 -6.852 1.00 0.00 C ATOM 296 CD2 LEU A 20 -5.716 -2.664 -6.502 1.00 0.00 C ATOM 0 H LEU A 20 -5.233 -2.830 -2.774 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.562 -2.351 -4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.120 -1.593 -4.026 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.262 -0.085 -4.268 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.511 -0.699 -6.264 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.687 -0.591 -7.918 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.413 0.524 -6.558 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.515 -1.010 -6.646 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.917 -2.702 -7.573 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.793 -3.203 -6.287 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.541 -3.128 -5.961 1.00 0.00 H new ATOM 308 N ARG A 21 -2.995 -0.425 -2.378 1.00 0.00 N ATOM 309 CA ARG A 21 -2.086 0.564 -1.828 1.00 0.00 C ATOM 310 C ARG A 21 -0.900 -0.102 -1.152 1.00 0.00 C ATOM 311 O ARG A 21 0.205 0.440 -1.136 1.00 0.00 O ATOM 312 CB ARG A 21 -2.820 1.472 -0.839 1.00 0.00 C ATOM 313 CG ARG A 21 -1.939 2.553 -0.233 1.00 0.00 C ATOM 314 CD ARG A 21 -2.541 3.106 1.047 1.00 0.00 C ATOM 315 NE ARG A 21 -1.698 4.136 1.650 1.00 0.00 N ATOM 316 CZ ARG A 21 -1.638 5.393 1.215 1.00 0.00 C ATOM 317 NH1 ARG A 21 -2.366 5.777 0.173 1.00 0.00 N ATOM 318 NH2 ARG A 21 -0.847 6.267 1.821 1.00 0.00 N ATOM 0 H ARG A 21 -3.630 -0.840 -1.696 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.710 1.172 -2.651 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.661 1.944 -1.347 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.234 0.861 -0.037 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -0.950 2.144 -0.025 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.805 3.361 -0.952 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.525 3.523 0.834 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -2.686 2.294 1.759 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.122 3.877 2.451 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.975 5.108 -0.298 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.316 6.741 -0.156 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.284 5.977 2.621 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.801 7.230 1.488 1.00 0.00 H new ATOM 332 N ASP A 22 -1.131 -1.285 -0.600 1.00 0.00 N ATOM 333 CA ASP A 22 -0.075 -2.029 0.068 1.00 0.00 C ATOM 334 C ASP A 22 0.897 -2.588 -0.951 1.00 0.00 C ATOM 335 O ASP A 22 2.102 -2.659 -0.706 1.00 0.00 O ATOM 336 CB ASP A 22 -0.663 -3.156 0.920 1.00 0.00 C ATOM 337 CG ASP A 22 0.390 -3.855 1.759 1.00 0.00 C ATOM 338 OD1 ASP A 22 1.006 -3.188 2.617 1.00 0.00 O ATOM 339 OD2 ASP A 22 0.597 -5.070 1.558 1.00 0.00 O ATOM 0 H ASP A 22 -2.039 -1.749 -0.602 1.00 0.00 H new ATOM 0 HA ASP A 22 0.463 -1.348 0.728 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.434 -2.749 1.574 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.148 -3.884 0.270 1.00 0.00 H new ATOM 344 N TYR A 23 0.371 -2.959 -2.106 1.00 0.00 N ATOM 345 CA TYR A 23 1.198 -3.484 -3.181 1.00 0.00 C ATOM 346 C TYR A 23 2.214 -2.432 -3.590 1.00 0.00 C ATOM 347 O TYR A 23 3.337 -2.749 -3.982 1.00 0.00 O ATOM 348 CB TYR A 23 0.337 -3.890 -4.378 1.00 0.00 C ATOM 349 CG TYR A 23 1.123 -4.528 -5.502 1.00 0.00 C ATOM 350 CD1 TYR A 23 2.019 -5.560 -5.250 1.00 0.00 C ATOM 351 CD2 TYR A 23 0.968 -4.099 -6.813 1.00 0.00 C ATOM 352 CE1 TYR A 23 2.740 -6.144 -6.274 1.00 0.00 C ATOM 353 CE2 TYR A 23 1.685 -4.678 -7.843 1.00 0.00 C ATOM 354 CZ TYR A 23 2.569 -5.700 -7.568 1.00 0.00 C ATOM 355 OH TYR A 23 3.283 -6.280 -8.592 1.00 0.00 O ATOM 0 H TYR A 23 -0.624 -2.907 -2.324 1.00 0.00 H new ATOM 0 HA TYR A 23 1.720 -4.373 -2.828 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.431 -4.587 -4.042 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.177 -3.008 -4.761 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.154 -5.911 -4.238 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.276 -3.300 -7.032 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.434 -6.944 -6.062 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.554 -4.332 -8.858 1.00 0.00 H new ATOM 0 HH TYR A 23 3.044 -5.852 -9.441 1.00 0.00 H new ATOM 365 N LEU A 24 1.810 -1.176 -3.467 1.00 0.00 N ATOM 366 CA LEU A 24 2.674 -0.058 -3.791 1.00 0.00 C ATOM 367 C LEU A 24 3.630 0.216 -2.637 1.00 0.00 C ATOM 368 O LEU A 24 4.737 0.716 -2.837 1.00 0.00 O ATOM 369 CB LEU A 24 1.846 1.190 -4.100 1.00 0.00 C ATOM 370 CG LEU A 24 2.643 2.377 -4.644 1.00 0.00 C ATOM 371 CD1 LEU A 24 3.217 2.052 -6.014 1.00 0.00 C ATOM 372 CD2 LEU A 24 1.766 3.618 -4.713 1.00 0.00 C ATOM 0 H LEU A 24 0.881 -0.908 -3.142 1.00 0.00 H new ATOM 0 HA LEU A 24 3.254 -0.314 -4.678 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.076 0.926 -4.825 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.334 1.502 -3.190 1.00 0.00 H new ATOM 0 HG LEU A 24 3.471 2.577 -3.964 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.781 2.908 -6.385 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.878 1.189 -5.936 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.405 1.826 -6.705 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.348 4.454 -5.102 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.918 3.428 -5.372 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.402 3.863 -3.715 1.00 0.00 H new ATOM 384 N ARG A 25 3.192 -0.121 -1.426 1.00 0.00 N ATOM 385 CA ARG A 25 4.005 0.079 -0.239 1.00 0.00 C ATOM 386 C ARG A 25 5.039 -1.031 -0.095 1.00 0.00 C ATOM 387 O ARG A 25 6.094 -0.839 0.509 1.00 0.00 O ATOM 388 CB ARG A 25 3.121 0.137 1.008 1.00 0.00 C ATOM 389 CG ARG A 25 3.757 0.888 2.169 1.00 0.00 C ATOM 390 CD ARG A 25 2.892 2.054 2.621 1.00 0.00 C ATOM 391 NE ARG A 25 3.696 3.168 3.123 1.00 0.00 N ATOM 392 CZ ARG A 25 3.229 4.404 3.286 1.00 0.00 C ATOM 393 NH1 ARG A 25 1.967 4.689 2.987 1.00 0.00 N ATOM 394 NH2 ARG A 25 4.025 5.357 3.749 1.00 0.00 N ATOM 0 H ARG A 25 2.277 -0.534 -1.246 1.00 0.00 H new ATOM 0 HA ARG A 25 4.531 1.028 -0.345 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.175 0.614 0.751 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.889 -0.879 1.327 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.913 0.205 3.004 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.739 1.256 1.871 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.279 2.396 1.787 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.209 1.718 3.402 1.00 0.00 H new ATOM 0 HE ARG A 25 4.671 2.987 3.362 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.350 3.959 2.630 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.615 5.638 3.114 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.995 5.143 3.980 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.667 6.304 3.874 1.00 0.00 H new ATOM 408 N GLN A 26 4.728 -2.194 -0.656 1.00 0.00 N ATOM 409 CA GLN A 26 5.621 -3.338 -0.594 1.00 0.00 C ATOM 410 C GLN A 26 6.333 -3.562 -1.928 1.00 0.00 C ATOM 411 O GLN A 26 7.242 -4.388 -2.021 1.00 0.00 O ATOM 412 CB GLN A 26 4.849 -4.596 -0.196 1.00 0.00 C ATOM 413 CG GLN A 26 4.550 -4.679 1.293 1.00 0.00 C ATOM 414 CD GLN A 26 4.835 -6.052 1.870 1.00 0.00 C ATOM 415 OE1 GLN A 26 5.985 -6.402 2.134 1.00 0.00 O ATOM 416 NE2 GLN A 26 3.784 -6.840 2.065 1.00 0.00 N ATOM 0 H GLN A 26 3.859 -2.367 -1.161 1.00 0.00 H new ATOM 0 HA GLN A 26 6.377 -3.128 0.163 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.910 -4.627 -0.749 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.423 -5.474 -0.493 1.00 0.00 H new ATOM 0 HG2 GLN A 26 5.147 -3.936 1.822 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.503 -4.427 1.464 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.848 -6.509 1.832 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.913 -7.777 2.448 1.00 0.00 H new ATOM 425 N ILE A 27 5.921 -2.826 -2.958 1.00 0.00 N ATOM 426 CA ILE A 27 6.529 -2.954 -4.278 1.00 0.00 C ATOM 427 C ILE A 27 8.046 -2.820 -4.193 1.00 0.00 C ATOM 428 O ILE A 27 8.788 -3.584 -4.810 1.00 0.00 O ATOM 429 CB ILE A 27 5.953 -1.905 -5.264 1.00 0.00 C ATOM 430 CG1 ILE A 27 5.728 -2.536 -6.638 1.00 0.00 C ATOM 431 CG2 ILE A 27 6.855 -0.679 -5.380 1.00 0.00 C ATOM 432 CD1 ILE A 27 4.653 -3.601 -6.647 1.00 0.00 C ATOM 0 H ILE A 27 5.171 -2.137 -2.903 1.00 0.00 H new ATOM 0 HA ILE A 27 6.288 -3.947 -4.656 1.00 0.00 H new ATOM 0 HB ILE A 27 4.996 -1.569 -4.866 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.459 -1.754 -7.348 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.664 -2.973 -6.985 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.415 0.031 -6.080 1.00 0.00 H new ATOM 0 HG22 ILE A 27 6.957 -0.209 -4.402 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.838 -0.983 -5.741 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.548 -4.004 -7.654 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.929 -4.403 -5.962 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.706 -3.164 -6.331 1.00 0.00 H new ATOM 444 N ASN A 28 8.496 -1.837 -3.419 1.00 0.00 N ATOM 445 CA ASN A 28 9.917 -1.592 -3.244 1.00 0.00 C ATOM 446 C ASN A 28 10.509 -2.531 -2.202 1.00 0.00 C ATOM 447 O ASN A 28 11.696 -2.853 -2.248 1.00 0.00 O ATOM 448 CB ASN A 28 10.164 -0.136 -2.844 1.00 0.00 C ATOM 449 CG ASN A 28 11.346 0.473 -3.573 1.00 0.00 C ATOM 450 OD1 ASN A 28 11.660 0.089 -4.700 1.00 0.00 O ATOM 451 ND2 ASN A 28 12.010 1.426 -2.930 1.00 0.00 N ATOM 0 H ASN A 28 7.892 -1.197 -2.903 1.00 0.00 H new ATOM 0 HA ASN A 28 10.411 -1.784 -4.197 1.00 0.00 H new ATOM 0 HB2 ASN A 28 9.270 0.452 -3.053 1.00 0.00 H new ATOM 0 HB3 ASN A 28 10.337 -0.082 -1.769 1.00 0.00 H new ATOM 0 HD21 ASN A 28 12.816 1.871 -3.369 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.714 1.713 -1.997 1.00 0.00 H new ATOM 458 N GLU A 29 9.677 -2.984 -1.268 1.00 0.00 N ATOM 459 CA GLU A 29 10.133 -3.899 -0.236 1.00 0.00 C ATOM 460 C GLU A 29 9.951 -5.341 -0.684 1.00 0.00 C ATOM 461 O GLU A 29 9.809 -6.254 0.132 1.00 0.00 O ATOM 462 CB GLU A 29 9.396 -3.649 1.079 1.00 0.00 C ATOM 463 CG GLU A 29 10.057 -4.306 2.280 1.00 0.00 C ATOM 464 CD GLU A 29 9.754 -3.585 3.580 1.00 0.00 C ATOM 465 OE1 GLU A 29 8.642 -3.032 3.707 1.00 0.00 O ATOM 466 OE2 GLU A 29 10.631 -3.571 4.469 1.00 0.00 O ATOM 0 H GLU A 29 8.690 -2.732 -1.208 1.00 0.00 H new ATOM 0 HA GLU A 29 11.195 -3.720 -0.069 1.00 0.00 H new ATOM 0 HB2 GLU A 29 9.333 -2.575 1.252 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.374 -4.018 0.989 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.720 -5.340 2.355 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.136 -4.333 2.127 1.00 0.00 H new ATOM 473 N TYR A 30 9.983 -5.531 -1.992 1.00 0.00 N ATOM 474 CA TYR A 30 9.848 -6.840 -2.595 1.00 0.00 C ATOM 475 C TYR A 30 11.030 -7.104 -3.516 1.00 0.00 C ATOM 476 O TYR A 30 11.502 -8.233 -3.635 1.00 0.00 O ATOM 477 CB TYR A 30 8.535 -6.947 -3.371 1.00 0.00 C ATOM 478 CG TYR A 30 8.145 -8.369 -3.704 1.00 0.00 C ATOM 479 CD1 TYR A 30 8.885 -9.117 -4.612 1.00 0.00 C ATOM 480 CD2 TYR A 30 7.040 -8.964 -3.109 1.00 0.00 C ATOM 481 CE1 TYR A 30 8.532 -10.418 -4.919 1.00 0.00 C ATOM 482 CE2 TYR A 30 6.683 -10.265 -3.410 1.00 0.00 C ATOM 483 CZ TYR A 30 7.432 -10.988 -4.315 1.00 0.00 C ATOM 484 OH TYR A 30 7.078 -12.282 -4.617 1.00 0.00 O ATOM 0 H TYR A 30 10.104 -4.776 -2.667 1.00 0.00 H new ATOM 0 HA TYR A 30 9.835 -7.590 -1.804 1.00 0.00 H new ATOM 0 HB2 TYR A 30 7.738 -6.488 -2.786 1.00 0.00 H new ATOM 0 HB3 TYR A 30 8.621 -6.376 -4.296 1.00 0.00 H new ATOM 0 HD1 TYR A 30 9.749 -8.675 -5.085 1.00 0.00 H new ATOM 0 HD2 TYR A 30 6.451 -8.401 -2.400 1.00 0.00 H new ATOM 0 HE1 TYR A 30 9.116 -10.985 -5.629 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.821 -10.714 -2.939 1.00 0.00 H new ATOM 0 HH TYR A 30 6.281 -12.531 -4.104 1.00 0.00 H new ATOM 494 N PHE A 31 11.510 -6.041 -4.152 1.00 0.00 N ATOM 495 CA PHE A 31 12.645 -6.133 -5.049 1.00 0.00 C ATOM 496 C PHE A 31 13.951 -5.889 -4.298 1.00 0.00 C ATOM 497 O PHE A 31 15.029 -6.227 -4.787 1.00 0.00 O ATOM 498 CB PHE A 31 12.503 -5.128 -6.194 1.00 0.00 C ATOM 499 CG PHE A 31 11.638 -5.617 -7.321 1.00 0.00 C ATOM 500 CD1 PHE A 31 12.107 -6.570 -8.209 1.00 0.00 C ATOM 501 CD2 PHE A 31 10.355 -5.121 -7.491 1.00 0.00 C ATOM 502 CE1 PHE A 31 11.312 -7.023 -9.245 1.00 0.00 C ATOM 503 CE2 PHE A 31 9.555 -5.570 -8.524 1.00 0.00 C ATOM 504 CZ PHE A 31 10.035 -6.521 -9.404 1.00 0.00 C ATOM 0 H PHE A 31 11.124 -5.101 -4.059 1.00 0.00 H new ATOM 0 HA PHE A 31 12.668 -7.141 -5.464 1.00 0.00 H new ATOM 0 HB2 PHE A 31 12.085 -4.201 -5.802 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.493 -4.892 -6.584 1.00 0.00 H new ATOM 0 HD1 PHE A 31 13.106 -6.964 -8.091 1.00 0.00 H new ATOM 0 HD2 PHE A 31 9.976 -4.375 -6.808 1.00 0.00 H new ATOM 0 HE1 PHE A 31 11.689 -7.769 -9.929 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.556 -5.178 -8.644 1.00 0.00 H new ATOM 0 HZ PHE A 31 9.413 -6.871 -10.215 1.00 0.00 H new ATOM 514 N ALA A 32 13.853 -5.301 -3.105 1.00 0.00 N ATOM 515 CA ALA A 32 15.033 -5.020 -2.298 1.00 0.00 C ATOM 516 C ALA A 32 15.797 -6.301 -1.979 1.00 0.00 C ATOM 517 O ALA A 32 17.006 -6.384 -2.196 1.00 0.00 O ATOM 518 CB ALA A 32 14.637 -4.306 -1.015 1.00 0.00 C ATOM 0 H ALA A 32 12.971 -5.013 -2.681 1.00 0.00 H new ATOM 0 HA ALA A 32 15.691 -4.369 -2.874 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.529 -4.102 -0.422 1.00 0.00 H new ATOM 0 HB2 ALA A 32 14.141 -3.366 -1.260 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.957 -4.937 -0.443 1.00 0.00 H new ATOM 524 N ILE A 33 15.084 -7.295 -1.460 1.00 0.00 N ATOM 525 CA ILE A 33 15.693 -8.569 -1.109 1.00 0.00 C ATOM 526 C ILE A 33 16.009 -9.396 -2.351 1.00 0.00 C ATOM 527 O ILE A 33 17.171 -9.688 -2.634 1.00 0.00 O ATOM 528 CB ILE A 33 14.778 -9.390 -0.177 1.00 0.00 C ATOM 529 CG1 ILE A 33 14.310 -8.533 1.000 1.00 0.00 C ATOM 530 CG2 ILE A 33 15.506 -10.630 0.320 1.00 0.00 C ATOM 531 CD1 ILE A 33 13.098 -9.095 1.710 1.00 0.00 C ATOM 0 H ILE A 33 14.083 -7.241 -1.274 1.00 0.00 H new ATOM 0 HA ILE A 33 16.622 -8.339 -0.588 1.00 0.00 H new ATOM 0 HB ILE A 33 13.901 -9.708 -0.741 1.00 0.00 H new ATOM 0 HG12 ILE A 33 15.127 -8.434 1.715 1.00 0.00 H new ATOM 0 HG13 ILE A 33 14.078 -7.531 0.640 1.00 0.00 H new ATOM 0 HG21 ILE A 33 14.848 -11.199 0.977 1.00 0.00 H new ATOM 0 HG22 ILE A 33 15.794 -11.248 -0.530 1.00 0.00 H new ATOM 0 HG23 ILE A 33 16.398 -10.332 0.870 1.00 0.00 H new ATOM 0 HD11 ILE A 33 12.821 -8.437 2.534 1.00 0.00 H new ATOM 0 HD12 ILE A 33 12.267 -9.168 1.009 1.00 0.00 H new ATOM 0 HD13 ILE A 33 13.332 -10.086 2.100 1.00 0.00 H new ATOM 543 N ILE A 34 14.968 -9.772 -3.087 1.00 0.00 N ATOM 544 CA ILE A 34 15.134 -10.570 -4.297 1.00 0.00 C ATOM 545 C ILE A 34 16.011 -9.854 -5.323 1.00 0.00 C ATOM 546 O ILE A 34 16.557 -10.482 -6.231 1.00 0.00 O ATOM 547 CB ILE A 34 13.773 -10.906 -4.941 1.00 0.00 C ATOM 548 CG1 ILE A 34 13.963 -11.853 -6.128 1.00 0.00 C ATOM 549 CG2 ILE A 34 13.062 -9.635 -5.379 1.00 0.00 C ATOM 550 CD1 ILE A 34 12.729 -12.668 -6.453 1.00 0.00 C ATOM 0 H ILE A 34 14.000 -9.537 -2.867 1.00 0.00 H new ATOM 0 HA ILE A 34 15.624 -11.496 -3.996 1.00 0.00 H new ATOM 0 HB ILE A 34 13.153 -11.406 -4.197 1.00 0.00 H new ATOM 0 HG12 ILE A 34 14.246 -11.271 -7.005 1.00 0.00 H new ATOM 0 HG13 ILE A 34 14.790 -12.530 -5.914 1.00 0.00 H new ATOM 0 HG21 ILE A 34 12.104 -9.891 -5.831 1.00 0.00 H new ATOM 0 HG22 ILE A 34 12.895 -8.995 -4.513 1.00 0.00 H new ATOM 0 HG23 ILE A 34 13.677 -9.107 -6.108 1.00 0.00 H new ATOM 0 HD11 ILE A 34 12.935 -13.317 -7.304 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.457 -13.276 -5.590 1.00 0.00 H new ATOM 0 HD13 ILE A 34 11.905 -11.998 -6.699 1.00 0.00 H new ATOM 562 N GLY A 35 16.143 -8.540 -5.175 1.00 0.00 N ATOM 563 CA GLY A 35 16.957 -7.770 -6.097 1.00 0.00 C ATOM 564 C GLY A 35 18.393 -8.257 -6.150 1.00 0.00 C ATOM 565 O GLY A 35 19.076 -8.088 -7.159 1.00 0.00 O ATOM 0 H GLY A 35 15.702 -7.995 -4.434 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.521 -7.825 -7.095 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.943 -6.721 -5.800 1.00 0.00 H new ATOM 569 N ARG A 36 18.847 -8.865 -5.059 1.00 0.00 N ATOM 570 CA ARG A 36 20.211 -9.379 -4.983 1.00 0.00 C ATOM 571 C ARG A 36 20.325 -10.455 -3.903 1.00 0.00 C ATOM 572 O ARG A 36 20.815 -10.194 -2.803 1.00 0.00 O ATOM 573 CB ARG A 36 21.194 -8.241 -4.701 1.00 0.00 C ATOM 574 CG ARG A 36 22.455 -8.302 -5.548 1.00 0.00 C ATOM 575 CD ARG A 36 22.297 -7.512 -6.838 1.00 0.00 C ATOM 576 NE ARG A 36 23.492 -7.587 -7.675 1.00 0.00 N ATOM 577 CZ ARG A 36 23.791 -8.628 -8.449 1.00 0.00 C ATOM 578 NH1 ARG A 36 22.987 -9.682 -8.496 1.00 0.00 N ATOM 579 NH2 ARG A 36 24.898 -8.613 -9.180 1.00 0.00 N ATOM 0 H ARG A 36 18.292 -9.014 -4.216 1.00 0.00 H new ATOM 0 HA ARG A 36 20.460 -9.828 -5.944 1.00 0.00 H new ATOM 0 HB2 ARG A 36 20.694 -7.288 -4.877 1.00 0.00 H new ATOM 0 HB3 ARG A 36 21.472 -8.265 -3.647 1.00 0.00 H new ATOM 0 HG2 ARG A 36 23.297 -7.907 -4.979 1.00 0.00 H new ATOM 0 HG3 ARG A 36 22.688 -9.341 -5.782 1.00 0.00 H new ATOM 0 HD2 ARG A 36 21.440 -7.893 -7.394 1.00 0.00 H new ATOM 0 HD3 ARG A 36 22.085 -6.469 -6.601 1.00 0.00 H new ATOM 0 HE ARG A 36 24.135 -6.795 -7.666 1.00 0.00 H new ATOM 0 HH11 ARG A 36 22.134 -9.698 -7.937 1.00 0.00 H new ATOM 0 HH12 ARG A 36 23.222 -10.476 -9.091 1.00 0.00 H new ATOM 0 HH21 ARG A 36 25.519 -7.804 -9.149 1.00 0.00 H new ATOM 0 HH22 ARG A 36 25.128 -9.410 -9.773 1.00 0.00 H new ATOM 593 N PRO A 37 19.870 -11.684 -4.204 1.00 0.00 N ATOM 594 CA PRO A 37 19.920 -12.802 -3.254 1.00 0.00 C ATOM 595 C PRO A 37 21.344 -13.134 -2.823 1.00 0.00 C ATOM 596 O PRO A 37 22.284 -13.019 -3.609 1.00 0.00 O ATOM 597 CB PRO A 37 19.313 -13.974 -4.037 1.00 0.00 C ATOM 598 CG PRO A 37 18.536 -13.342 -5.141 1.00 0.00 C ATOM 599 CD PRO A 37 19.269 -12.080 -5.487 1.00 0.00 C ATOM 0 HA PRO A 37 19.388 -12.570 -2.331 1.00 0.00 H new ATOM 0 HB2 PRO A 37 20.090 -14.632 -4.428 1.00 0.00 H new ATOM 0 HB3 PRO A 37 18.670 -14.583 -3.401 1.00 0.00 H new ATOM 0 HG2 PRO A 37 18.472 -14.006 -6.003 1.00 0.00 H new ATOM 0 HG3 PRO A 37 17.515 -13.127 -4.827 1.00 0.00 H new ATOM 0 HD2 PRO A 37 20.027 -12.250 -6.252 1.00 0.00 H new ATOM 0 HD3 PRO A 37 18.595 -11.314 -5.870 1.00 0.00 H new ATOM 607 N ARG A 38 21.496 -13.550 -1.570 1.00 0.00 N ATOM 608 CA ARG A 38 22.806 -13.902 -1.030 1.00 0.00 C ATOM 609 C ARG A 38 23.782 -12.736 -1.158 1.00 0.00 C ATOM 610 O ARG A 38 23.427 -11.666 -1.652 1.00 0.00 O ATOM 611 CB ARG A 38 23.363 -15.131 -1.751 1.00 0.00 C ATOM 612 CG ARG A 38 22.941 -16.448 -1.123 1.00 0.00 C ATOM 613 CD ARG A 38 23.602 -16.657 0.231 1.00 0.00 C ATOM 614 NE ARG A 38 22.823 -17.546 1.090 1.00 0.00 N ATOM 615 CZ ARG A 38 22.843 -18.874 0.994 1.00 0.00 C ATOM 616 NH1 ARG A 38 23.599 -19.470 0.080 1.00 0.00 N ATOM 617 NH2 ARG A 38 22.105 -19.609 1.816 1.00 0.00 N ATOM 0 H ARG A 38 20.727 -13.652 -0.908 1.00 0.00 H new ATOM 0 HA ARG A 38 22.684 -14.133 0.028 1.00 0.00 H new ATOM 0 HB2 ARG A 38 23.035 -15.112 -2.790 1.00 0.00 H new ATOM 0 HB3 ARG A 38 24.452 -15.075 -1.760 1.00 0.00 H new ATOM 0 HG2 ARG A 38 21.857 -16.466 -1.007 1.00 0.00 H new ATOM 0 HG3 ARG A 38 23.204 -17.270 -1.788 1.00 0.00 H new ATOM 0 HD2 ARG A 38 24.599 -17.074 0.087 1.00 0.00 H new ATOM 0 HD3 ARG A 38 23.728 -15.694 0.725 1.00 0.00 H new ATOM 0 HE ARG A 38 22.229 -17.125 1.805 1.00 0.00 H new ATOM 0 HH11 ARG A 38 24.169 -18.910 -0.554 1.00 0.00 H new ATOM 0 HH12 ARG A 38 23.610 -20.488 0.012 1.00 0.00 H new ATOM 0 HH21 ARG A 38 21.523 -19.157 2.521 1.00 0.00 H new ATOM 0 HH22 ARG A 38 22.120 -20.626 1.743 1.00 0.00 H new ATOM 631 N PHE A 39 25.013 -12.953 -0.707 1.00 0.00 N ATOM 632 CA PHE A 39 26.043 -11.922 -0.771 1.00 0.00 C ATOM 633 C PHE A 39 25.621 -10.683 0.015 1.00 0.00 C ATOM 634 O PHE A 39 25.982 -9.560 -0.337 1.00 0.00 O ATOM 635 CB PHE A 39 26.331 -11.549 -2.227 1.00 0.00 C ATOM 636 CG PHE A 39 27.736 -11.861 -2.659 1.00 0.00 C ATOM 637 CD1 PHE A 39 28.810 -11.172 -2.118 1.00 0.00 C ATOM 638 CD2 PHE A 39 27.983 -12.844 -3.603 1.00 0.00 C ATOM 639 CE1 PHE A 39 30.104 -11.456 -2.512 1.00 0.00 C ATOM 640 CE2 PHE A 39 29.274 -13.132 -4.002 1.00 0.00 C ATOM 641 CZ PHE A 39 30.336 -12.438 -3.456 1.00 0.00 C ATOM 0 H PHE A 39 25.322 -13.833 -0.293 1.00 0.00 H new ATOM 0 HA PHE A 39 26.952 -12.321 -0.321 1.00 0.00 H new ATOM 0 HB2 PHE A 39 25.634 -12.080 -2.875 1.00 0.00 H new ATOM 0 HB3 PHE A 39 26.145 -10.484 -2.364 1.00 0.00 H new ATOM 0 HD1 PHE A 39 28.634 -10.404 -1.380 1.00 0.00 H new ATOM 0 HD2 PHE A 39 27.157 -13.392 -4.032 1.00 0.00 H new ATOM 0 HE1 PHE A 39 30.932 -10.911 -2.083 1.00 0.00 H new ATOM 0 HE2 PHE A 39 29.453 -13.899 -4.741 1.00 0.00 H new ATOM 0 HZ PHE A 39 31.346 -12.662 -3.766 1.00 0.00 H new HETATM 651 N NH2 A 40 24.853 -10.889 1.079 1.00 0.00 N TER 654 NH2 A 40