USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 481 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 : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -135:sc= 0.0112 (180deg=-0.527) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 76:sc= 0.0606 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 73:sc= 0.172 USER MOD Single : A 15 ASN : amide:sc= -0.093 X(o=-0.093,f=-0.011) USER MOD Single : A 18 LYS NZ :NH3+ -156:sc= -0.0395 (180deg=-0.369) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -17:sc= 0.193 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -155:sc= -0.201 (180deg=-1.28!) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.0091) USER MOD Single : A 52 HIS : no HD1:sc= -2.16! C(o=-2.2!,f=-3.2!) USER MOD Single : A 53 HIS : no HD1:sc= -0.0416 X(o=-0.042,f=-0.008) USER MOD Single : A 54 HIS : no HD1:sc= -1.9! C(o=-1.9!,f=-7.4!) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.562 X(o=-0.56,f=-0.66) USER MOD Single : A 57 HIS : no HD1:sc= -0.14 K(o=-0.14,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 20.073 -37.301 4.583 1.00 0.00 N ATOM 2 CA MET A 1 19.802 -37.962 3.312 1.00 0.00 C ATOM 3 C MET A 1 19.479 -36.934 2.233 1.00 0.00 C ATOM 4 O MET A 1 19.929 -35.789 2.297 1.00 0.00 O ATOM 5 CB MET A 1 18.626 -38.930 3.467 1.00 0.00 C ATOM 6 CG MET A 1 18.987 -40.011 4.487 1.00 0.00 C ATOM 7 SD MET A 1 17.642 -41.217 4.590 1.00 0.00 S ATOM 8 CE MET A 1 18.191 -42.037 6.108 1.00 0.00 C ATOM 0 H1 MET A 1 20.919 -37.721 5.019 1.00 0.00 H new ATOM 0 H2 MET A 1 20.235 -36.287 4.419 1.00 0.00 H new ATOM 0 H3 MET A 1 19.259 -37.423 5.218 1.00 0.00 H new ATOM 0 HA MET A 1 20.692 -38.517 3.015 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.737 -38.390 3.793 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.388 -39.386 2.506 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.913 -40.507 4.195 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.161 -39.560 5.464 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.493 -42.834 6.364 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.184 -42.460 5.954 1.00 0.00 H new ATOM 0 HE3 MET A 1 18.228 -41.311 6.921 1.00 0.00 H new ATOM 18 N THR A 2 18.696 -37.348 1.243 1.00 0.00 N ATOM 19 CA THR A 2 18.319 -36.451 0.156 1.00 0.00 C ATOM 20 C THR A 2 16.886 -35.965 0.339 1.00 0.00 C ATOM 21 O THR A 2 16.426 -35.075 -0.377 1.00 0.00 O ATOM 22 CB THR A 2 18.450 -37.173 -1.187 1.00 0.00 C ATOM 23 OG1 THR A 2 18.698 -36.219 -2.210 1.00 0.00 O ATOM 24 CG2 THR A 2 17.157 -37.929 -1.493 1.00 0.00 C ATOM 0 H THR A 2 18.313 -38.290 1.170 1.00 0.00 H new ATOM 0 HA THR A 2 18.987 -35.590 0.170 1.00 0.00 H new ATOM 0 HB THR A 2 19.277 -37.882 -1.140 1.00 0.00 H new ATOM 0 HG1 THR A 2 18.784 -36.678 -3.072 1.00 0.00 H new ATOM 0 HG21 THR A 2 17.253 -38.442 -2.450 1.00 0.00 H new ATOM 0 HG22 THR A 2 16.968 -38.660 -0.707 1.00 0.00 H new ATOM 0 HG23 THR A 2 16.326 -37.225 -1.541 1.00 0.00 H new ATOM 32 N TYR A 3 16.183 -36.554 1.303 1.00 0.00 N ATOM 33 CA TYR A 3 14.803 -36.171 1.570 1.00 0.00 C ATOM 34 C TYR A 3 14.623 -34.666 1.407 1.00 0.00 C ATOM 35 O TYR A 3 13.595 -34.203 0.914 1.00 0.00 O ATOM 36 CB TYR A 3 14.409 -36.581 2.991 1.00 0.00 C ATOM 37 CG TYR A 3 12.930 -36.877 3.038 1.00 0.00 C ATOM 38 CD1 TYR A 3 12.007 -35.824 3.089 1.00 0.00 C ATOM 39 CD2 TYR A 3 12.480 -38.202 3.028 1.00 0.00 C ATOM 40 CE1 TYR A 3 10.635 -36.099 3.131 1.00 0.00 C ATOM 41 CE2 TYR A 3 11.108 -38.477 3.071 1.00 0.00 C ATOM 42 CZ TYR A 3 10.185 -37.425 3.122 1.00 0.00 C ATOM 43 OH TYR A 3 8.832 -37.695 3.163 1.00 0.00 O ATOM 0 H TYR A 3 16.544 -37.292 1.907 1.00 0.00 H new ATOM 0 HA TYR A 3 14.161 -36.683 0.853 1.00 0.00 H new ATOM 0 HB2 TYR A 3 14.976 -37.460 3.298 1.00 0.00 H new ATOM 0 HB3 TYR A 3 14.653 -35.783 3.692 1.00 0.00 H new ATOM 0 HD1 TYR A 3 12.354 -34.801 3.096 1.00 0.00 H new ATOM 0 HD2 TYR A 3 13.192 -39.013 2.987 1.00 0.00 H new ATOM 0 HE1 TYR A 3 9.923 -35.288 3.170 1.00 0.00 H new ATOM 0 HE2 TYR A 3 10.762 -39.500 3.065 1.00 0.00 H new ATOM 0 HH TYR A 3 8.691 -38.665 3.149 1.00 0.00 H new ATOM 53 N PHE A 4 15.631 -33.908 1.826 1.00 0.00 N ATOM 54 CA PHE A 4 15.573 -32.454 1.722 1.00 0.00 C ATOM 55 C PHE A 4 14.969 -32.038 0.385 1.00 0.00 C ATOM 56 O PHE A 4 14.398 -30.953 0.262 1.00 0.00 O ATOM 57 CB PHE A 4 16.980 -31.863 1.860 1.00 0.00 C ATOM 58 CG PHE A 4 17.077 -31.074 3.145 1.00 0.00 C ATOM 59 CD1 PHE A 4 17.314 -31.736 4.355 1.00 0.00 C ATOM 60 CD2 PHE A 4 16.928 -29.682 3.125 1.00 0.00 C ATOM 61 CE1 PHE A 4 17.404 -31.004 5.546 1.00 0.00 C ATOM 62 CE2 PHE A 4 17.017 -28.951 4.315 1.00 0.00 C ATOM 63 CZ PHE A 4 17.255 -29.613 5.527 1.00 0.00 C ATOM 0 H PHE A 4 16.491 -34.272 2.237 1.00 0.00 H new ATOM 0 HA PHE A 4 14.942 -32.074 2.525 1.00 0.00 H new ATOM 0 HB2 PHE A 4 17.722 -32.661 1.855 1.00 0.00 H new ATOM 0 HB3 PHE A 4 17.199 -31.219 1.009 1.00 0.00 H new ATOM 0 HD1 PHE A 4 17.427 -32.810 4.371 1.00 0.00 H new ATOM 0 HD2 PHE A 4 16.744 -29.172 2.191 1.00 0.00 H new ATOM 0 HE1 PHE A 4 17.589 -31.514 6.480 1.00 0.00 H new ATOM 0 HE2 PHE A 4 16.902 -27.877 4.299 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.323 -29.050 6.446 1.00 0.00 H new ATOM 73 N TYR A 5 15.097 -32.906 -0.614 1.00 0.00 N ATOM 74 CA TYR A 5 14.556 -32.615 -1.937 1.00 0.00 C ATOM 75 C TYR A 5 13.062 -32.915 -1.979 1.00 0.00 C ATOM 76 O TYR A 5 12.257 -32.058 -2.338 1.00 0.00 O ATOM 77 CB TYR A 5 15.278 -33.454 -2.996 1.00 0.00 C ATOM 78 CG TYR A 5 15.596 -32.589 -4.192 1.00 0.00 C ATOM 79 CD1 TYR A 5 14.611 -31.753 -4.731 1.00 0.00 C ATOM 80 CD2 TYR A 5 16.874 -32.623 -4.762 1.00 0.00 C ATOM 81 CE1 TYR A 5 14.903 -30.950 -5.839 1.00 0.00 C ATOM 82 CE2 TYR A 5 17.167 -31.819 -5.871 1.00 0.00 C ATOM 83 CZ TYR A 5 16.182 -30.983 -6.410 1.00 0.00 C ATOM 84 OH TYR A 5 16.470 -30.192 -7.503 1.00 0.00 O ATOM 0 H TYR A 5 15.566 -33.808 -0.534 1.00 0.00 H new ATOM 0 HA TYR A 5 14.711 -31.557 -2.148 1.00 0.00 H new ATOM 0 HB2 TYR A 5 16.196 -33.871 -2.581 1.00 0.00 H new ATOM 0 HB3 TYR A 5 14.653 -34.295 -3.298 1.00 0.00 H new ATOM 0 HD1 TYR A 5 13.625 -31.728 -4.291 1.00 0.00 H new ATOM 0 HD2 TYR A 5 17.634 -33.269 -4.347 1.00 0.00 H new ATOM 0 HE1 TYR A 5 14.143 -30.305 -6.254 1.00 0.00 H new ATOM 0 HE2 TYR A 5 18.153 -31.844 -6.310 1.00 0.00 H new ATOM 0 HH TYR A 5 17.401 -30.335 -7.774 1.00 0.00 H new ATOM 94 N VAL A 6 12.698 -34.138 -1.603 1.00 0.00 N ATOM 95 CA VAL A 6 11.296 -34.538 -1.598 1.00 0.00 C ATOM 96 C VAL A 6 10.467 -33.553 -0.781 1.00 0.00 C ATOM 97 O VAL A 6 9.266 -33.403 -1.002 1.00 0.00 O ATOM 98 CB VAL A 6 11.153 -35.942 -1.007 1.00 0.00 C ATOM 99 CG1 VAL A 6 9.673 -36.251 -0.772 1.00 0.00 C ATOM 100 CG2 VAL A 6 11.737 -36.966 -1.983 1.00 0.00 C ATOM 0 H VAL A 6 13.349 -34.863 -1.300 1.00 0.00 H new ATOM 0 HA VAL A 6 10.933 -34.541 -2.626 1.00 0.00 H new ATOM 0 HB VAL A 6 11.689 -35.993 -0.059 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.573 -37.251 -0.351 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.255 -35.522 -0.078 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.136 -36.200 -1.719 1.00 0.00 H new ATOM 0 HG21 VAL A 6 11.636 -37.967 -1.564 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.200 -36.913 -2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 6 12.792 -36.748 -2.151 1.00 0.00 H new ATOM 110 N THR A 7 11.119 -32.881 0.162 1.00 0.00 N ATOM 111 CA THR A 7 10.433 -31.909 1.006 1.00 0.00 C ATOM 112 C THR A 7 10.010 -30.698 0.185 1.00 0.00 C ATOM 113 O THR A 7 8.949 -30.118 0.416 1.00 0.00 O ATOM 114 CB THR A 7 11.358 -31.462 2.140 1.00 0.00 C ATOM 115 OG1 THR A 7 11.810 -32.602 2.859 1.00 0.00 O ATOM 116 CG2 THR A 7 10.595 -30.531 3.085 1.00 0.00 C ATOM 0 H THR A 7 12.114 -32.990 0.360 1.00 0.00 H new ATOM 0 HA THR A 7 9.544 -32.379 1.426 1.00 0.00 H new ATOM 0 HB THR A 7 12.214 -30.932 1.723 1.00 0.00 H new ATOM 0 HG1 THR A 7 12.505 -33.061 2.342 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.254 -30.213 3.893 1.00 0.00 H new ATOM 0 HG22 THR A 7 10.249 -29.657 2.533 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.738 -31.059 3.503 1.00 0.00 H new ATOM 124 N ASP A 8 10.846 -30.323 -0.778 1.00 0.00 N ATOM 125 CA ASP A 8 10.548 -29.181 -1.632 1.00 0.00 C ATOM 126 C ASP A 8 9.193 -29.358 -2.299 1.00 0.00 C ATOM 127 O ASP A 8 8.562 -28.392 -2.724 1.00 0.00 O ATOM 128 CB ASP A 8 11.633 -29.023 -2.698 1.00 0.00 C ATOM 129 CG ASP A 8 12.933 -28.556 -2.051 1.00 0.00 C ATOM 130 OD1 ASP A 8 13.051 -28.685 -0.844 1.00 0.00 O ATOM 131 OD2 ASP A 8 13.793 -28.079 -2.773 1.00 0.00 O ATOM 0 H ASP A 8 11.729 -30.790 -0.985 1.00 0.00 H new ATOM 0 HA ASP A 8 10.522 -28.284 -1.013 1.00 0.00 H new ATOM 0 HB2 ASP A 8 11.792 -29.972 -3.211 1.00 0.00 H new ATOM 0 HB3 ASP A 8 11.313 -28.303 -3.451 1.00 0.00 H new ATOM 136 N TYR A 9 8.757 -30.605 -2.378 1.00 0.00 N ATOM 137 CA TYR A 9 7.471 -30.921 -2.989 1.00 0.00 C ATOM 138 C TYR A 9 6.333 -30.499 -2.065 1.00 0.00 C ATOM 139 O TYR A 9 5.259 -30.108 -2.524 1.00 0.00 O ATOM 140 CB TYR A 9 7.377 -32.423 -3.265 1.00 0.00 C ATOM 141 CG TYR A 9 6.645 -32.652 -4.567 1.00 0.00 C ATOM 142 CD1 TYR A 9 7.260 -32.328 -5.782 1.00 0.00 C ATOM 143 CD2 TYR A 9 5.352 -33.188 -4.557 1.00 0.00 C ATOM 144 CE1 TYR A 9 6.582 -32.541 -6.988 1.00 0.00 C ATOM 145 CE2 TYR A 9 4.674 -33.401 -5.764 1.00 0.00 C ATOM 146 CZ TYR A 9 5.289 -33.078 -6.979 1.00 0.00 C ATOM 147 OH TYR A 9 4.621 -33.287 -8.168 1.00 0.00 O ATOM 0 H TYR A 9 9.271 -31.414 -2.029 1.00 0.00 H new ATOM 0 HA TYR A 9 7.388 -30.377 -3.930 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.375 -32.857 -3.316 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.854 -32.921 -2.449 1.00 0.00 H new ATOM 0 HD1 TYR A 9 8.257 -31.914 -5.789 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.877 -33.437 -3.619 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.056 -32.291 -7.926 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.676 -33.815 -5.757 1.00 0.00 H new ATOM 0 HH TYR A 9 3.736 -33.666 -7.984 1.00 0.00 H new ATOM 157 N LEU A 10 6.580 -30.574 -0.762 1.00 0.00 N ATOM 158 CA LEU A 10 5.573 -30.192 0.219 1.00 0.00 C ATOM 159 C LEU A 10 5.669 -28.700 0.521 1.00 0.00 C ATOM 160 O LEU A 10 5.479 -28.271 1.659 1.00 0.00 O ATOM 161 CB LEU A 10 5.766 -30.993 1.509 1.00 0.00 C ATOM 162 CG LEU A 10 5.318 -32.438 1.284 1.00 0.00 C ATOM 163 CD1 LEU A 10 6.371 -33.180 0.455 1.00 0.00 C ATOM 164 CD2 LEU A 10 5.150 -33.136 2.637 1.00 0.00 C ATOM 0 H LEU A 10 7.463 -30.894 -0.363 1.00 0.00 H new ATOM 0 HA LEU A 10 4.587 -30.408 -0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.813 -30.969 1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.190 -30.544 2.318 1.00 0.00 H new ATOM 0 HG LEU A 10 4.368 -32.443 0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.050 -34.209 0.296 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.491 -32.684 -0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.322 -33.175 0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.831 -34.166 2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 10 6.100 -33.129 3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.399 -32.610 3.227 1.00 0.00 H new ATOM 176 N ASP A 11 5.962 -27.915 -0.511 1.00 0.00 N ATOM 177 CA ASP A 11 6.077 -26.473 -0.356 1.00 0.00 C ATOM 178 C ASP A 11 5.319 -25.765 -1.472 1.00 0.00 C ATOM 179 O ASP A 11 5.533 -26.039 -2.654 1.00 0.00 O ATOM 180 CB ASP A 11 7.549 -26.059 -0.392 1.00 0.00 C ATOM 181 CG ASP A 11 8.242 -26.479 0.899 1.00 0.00 C ATOM 182 OD1 ASP A 11 7.646 -26.309 1.950 1.00 0.00 O ATOM 183 OD2 ASP A 11 9.359 -26.966 0.818 1.00 0.00 O ATOM 0 H ASP A 11 6.123 -28.254 -1.460 1.00 0.00 H new ATOM 0 HA ASP A 11 5.647 -26.188 0.604 1.00 0.00 H new ATOM 0 HB2 ASP A 11 8.044 -26.520 -1.247 1.00 0.00 H new ATOM 0 HB3 ASP A 11 7.628 -24.980 -0.522 1.00 0.00 H new ATOM 188 N VAL A 12 4.434 -24.859 -1.087 1.00 0.00 N ATOM 189 CA VAL A 12 3.640 -24.115 -2.058 1.00 0.00 C ATOM 190 C VAL A 12 4.545 -23.330 -3.004 1.00 0.00 C ATOM 191 O VAL A 12 5.624 -22.882 -2.618 1.00 0.00 O ATOM 192 CB VAL A 12 2.700 -23.152 -1.331 1.00 0.00 C ATOM 193 CG1 VAL A 12 1.554 -23.941 -0.695 1.00 0.00 C ATOM 194 CG2 VAL A 12 3.476 -22.412 -0.238 1.00 0.00 C ATOM 0 H VAL A 12 4.246 -24.620 -0.113 1.00 0.00 H new ATOM 0 HA VAL A 12 3.054 -24.825 -2.642 1.00 0.00 H new ATOM 0 HB VAL A 12 2.295 -22.432 -2.042 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.884 -23.255 -0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.002 -24.470 -1.471 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.959 -24.660 0.017 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.808 -21.725 0.281 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.880 -23.133 0.473 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.294 -21.851 -0.689 1.00 0.00 H new ATOM 204 N PRO A 13 4.123 -23.159 -4.229 1.00 0.00 N ATOM 205 CA PRO A 13 4.905 -22.411 -5.255 1.00 0.00 C ATOM 206 C PRO A 13 4.899 -20.907 -4.993 1.00 0.00 C ATOM 207 O PRO A 13 3.960 -20.375 -4.403 1.00 0.00 O ATOM 208 CB PRO A 13 4.191 -22.737 -6.567 1.00 0.00 C ATOM 209 CG PRO A 13 2.788 -23.072 -6.181 1.00 0.00 C ATOM 210 CD PRO A 13 2.850 -23.662 -4.771 1.00 0.00 C ATOM 0 HA PRO A 13 5.957 -22.697 -5.257 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.219 -21.889 -7.251 1.00 0.00 H new ATOM 0 HB3 PRO A 13 4.669 -23.573 -7.077 1.00 0.00 H new ATOM 0 HG2 PRO A 13 2.158 -22.183 -6.201 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.354 -23.786 -6.881 1.00 0.00 H new ATOM 0 HD2 PRO A 13 2.003 -23.339 -4.166 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.829 -24.752 -4.793 1.00 0.00 H new ATOM 218 N SER A 14 5.951 -20.229 -5.438 1.00 0.00 N ATOM 219 CA SER A 14 6.051 -18.787 -5.246 1.00 0.00 C ATOM 220 C SER A 14 4.822 -18.086 -5.810 1.00 0.00 C ATOM 221 O SER A 14 4.594 -16.903 -5.549 1.00 0.00 O ATOM 222 CB SER A 14 7.309 -18.252 -5.930 1.00 0.00 C ATOM 223 OG SER A 14 8.016 -19.332 -6.524 1.00 0.00 O ATOM 0 H SER A 14 6.740 -20.650 -5.930 1.00 0.00 H new ATOM 0 HA SER A 14 6.110 -18.586 -4.176 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.040 -17.517 -6.689 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.943 -17.743 -5.204 1.00 0.00 H new ATOM 0 HG SER A 14 7.534 -19.640 -7.320 1.00 0.00 H new ATOM 229 N ASN A 15 4.028 -18.822 -6.577 1.00 0.00 N ATOM 230 CA ASN A 15 2.823 -18.253 -7.160 1.00 0.00 C ATOM 231 C ASN A 15 1.940 -17.680 -6.060 1.00 0.00 C ATOM 232 O ASN A 15 1.207 -16.716 -6.276 1.00 0.00 O ATOM 233 CB ASN A 15 2.055 -19.325 -7.934 1.00 0.00 C ATOM 234 CG ASN A 15 2.623 -19.457 -9.342 1.00 0.00 C ATOM 235 OD1 ASN A 15 3.083 -20.531 -9.729 1.00 0.00 O ATOM 236 ND2 ASN A 15 2.621 -18.421 -10.136 1.00 0.00 N ATOM 0 H ASN A 15 4.194 -19.802 -6.807 1.00 0.00 H new ATOM 0 HA ASN A 15 3.106 -17.456 -7.847 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.124 -20.280 -7.414 1.00 0.00 H new ATOM 0 HB3 ASN A 15 0.998 -19.064 -7.982 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.001 -18.501 -11.079 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.239 -17.532 -9.813 1.00 0.00 H new ATOM 243 N ILE A 16 2.028 -18.273 -4.872 1.00 0.00 N ATOM 244 CA ILE A 16 1.242 -17.800 -3.741 1.00 0.00 C ATOM 245 C ILE A 16 1.869 -16.549 -3.162 1.00 0.00 C ATOM 246 O ILE A 16 1.220 -15.767 -2.473 1.00 0.00 O ATOM 247 CB ILE A 16 1.143 -18.885 -2.667 1.00 0.00 C ATOM 248 CG1 ILE A 16 0.768 -20.217 -3.321 1.00 0.00 C ATOM 249 CG2 ILE A 16 0.069 -18.499 -1.650 1.00 0.00 C ATOM 250 CD1 ILE A 16 -0.477 -20.024 -4.191 1.00 0.00 C ATOM 0 H ILE A 16 2.629 -19.072 -4.671 1.00 0.00 H new ATOM 0 HA ILE A 16 0.236 -17.565 -4.089 1.00 0.00 H new ATOM 0 HB ILE A 16 2.104 -18.985 -2.162 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.596 -20.583 -3.928 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.577 -20.969 -2.556 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.002 -19.272 -0.885 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.334 -17.550 -1.184 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.892 -18.400 -2.155 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.745 -20.972 -4.658 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.304 -19.678 -3.571 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.269 -19.285 -4.965 1.00 0.00 H new ATOM 262 N ALA A 17 3.137 -16.379 -3.468 1.00 0.00 N ATOM 263 CA ALA A 17 3.894 -15.221 -3.007 1.00 0.00 C ATOM 264 C ALA A 17 3.532 -13.994 -3.834 1.00 0.00 C ATOM 265 O ALA A 17 3.667 -12.858 -3.380 1.00 0.00 O ATOM 266 CB ALA A 17 5.389 -15.499 -3.138 1.00 0.00 C ATOM 0 H ALA A 17 3.675 -17.031 -4.039 1.00 0.00 H new ATOM 0 HA ALA A 17 3.648 -15.032 -1.962 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.952 -14.632 -2.793 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.652 -16.367 -2.533 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.632 -15.697 -4.182 1.00 0.00 H new ATOM 272 N LYS A 18 3.069 -14.244 -5.052 1.00 0.00 N ATOM 273 CA LYS A 18 2.678 -13.170 -5.957 1.00 0.00 C ATOM 274 C LYS A 18 1.217 -12.840 -5.738 1.00 0.00 C ATOM 275 O LYS A 18 0.781 -11.703 -5.922 1.00 0.00 O ATOM 276 CB LYS A 18 2.903 -13.597 -7.410 1.00 0.00 C ATOM 277 CG LYS A 18 3.757 -12.549 -8.129 1.00 0.00 C ATOM 278 CD LYS A 18 5.232 -12.780 -7.798 1.00 0.00 C ATOM 279 CE LYS A 18 6.105 -12.019 -8.799 1.00 0.00 C ATOM 280 NZ LYS A 18 6.057 -12.706 -10.120 1.00 0.00 N ATOM 0 H LYS A 18 2.955 -15.182 -5.437 1.00 0.00 H new ATOM 0 HA LYS A 18 3.286 -12.288 -5.754 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.398 -14.568 -7.442 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.945 -13.711 -7.918 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.600 -12.613 -9.206 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.457 -11.547 -7.822 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.445 -12.443 -6.784 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.462 -13.845 -7.835 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.753 -10.992 -8.898 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.133 -11.971 -8.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.911 -12.471 -10.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.011 -13.735 -9.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 5.215 -12.392 -10.644 1.00 0.00 H new ATOM 294 N ILE A 19 0.474 -13.849 -5.319 1.00 0.00 N ATOM 295 CA ILE A 19 -0.941 -13.683 -5.042 1.00 0.00 C ATOM 296 C ILE A 19 -1.105 -13.206 -3.609 1.00 0.00 C ATOM 297 O ILE A 19 -2.152 -12.682 -3.226 1.00 0.00 O ATOM 298 CB ILE A 19 -1.679 -15.007 -5.238 1.00 0.00 C ATOM 299 CG1 ILE A 19 -1.562 -15.443 -6.700 1.00 0.00 C ATOM 300 CG2 ILE A 19 -3.155 -14.830 -4.875 1.00 0.00 C ATOM 301 CD1 ILE A 19 -2.176 -16.833 -6.870 1.00 0.00 C ATOM 0 H ILE A 19 0.828 -14.793 -5.163 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.364 -12.950 -5.729 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.237 -15.767 -4.594 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.072 -14.728 -7.345 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.515 -15.457 -7.003 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.680 -15.775 -5.015 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.239 -14.519 -3.834 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.599 -14.069 -5.517 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.092 -17.143 -7.912 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.647 -17.545 -6.236 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.227 -16.804 -6.584 1.00 0.00 H new ATOM 313 N ILE A 20 -0.049 -13.392 -2.823 1.00 0.00 N ATOM 314 CA ILE A 20 -0.064 -12.977 -1.424 1.00 0.00 C ATOM 315 C ILE A 20 0.455 -11.550 -1.284 1.00 0.00 C ATOM 316 O ILE A 20 -0.125 -10.735 -0.566 1.00 0.00 O ATOM 317 CB ILE A 20 0.802 -13.917 -0.585 1.00 0.00 C ATOM 318 CG1 ILE A 20 0.045 -15.227 -0.344 1.00 0.00 C ATOM 319 CG2 ILE A 20 1.127 -13.254 0.755 1.00 0.00 C ATOM 320 CD1 ILE A 20 -0.781 -15.121 0.940 1.00 0.00 C ATOM 0 H ILE A 20 0.823 -13.825 -3.128 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.093 -13.018 -1.067 1.00 0.00 H new ATOM 0 HB ILE A 20 1.731 -14.128 -1.115 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.608 -15.441 -1.190 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.749 -16.055 -0.267 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.744 -13.925 1.353 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.667 -12.324 0.579 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.201 -13.040 1.289 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.317 -16.055 1.106 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -0.119 -14.928 1.784 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.497 -14.304 0.846 1.00 0.00 H new ATOM 332 N ILE A 21 1.554 -11.257 -1.971 1.00 0.00 N ATOM 333 CA ILE A 21 2.146 -9.926 -1.913 1.00 0.00 C ATOM 334 C ILE A 21 1.442 -8.976 -2.878 1.00 0.00 C ATOM 335 O ILE A 21 1.211 -7.811 -2.557 1.00 0.00 O ATOM 336 CB ILE A 21 3.633 -10.000 -2.261 1.00 0.00 C ATOM 337 CG1 ILE A 21 4.334 -10.955 -1.293 1.00 0.00 C ATOM 338 CG2 ILE A 21 4.256 -8.608 -2.144 1.00 0.00 C ATOM 339 CD1 ILE A 21 5.667 -11.405 -1.893 1.00 0.00 C ATOM 0 H ILE A 21 2.049 -11.918 -2.570 1.00 0.00 H new ATOM 0 HA ILE A 21 2.027 -9.544 -0.899 1.00 0.00 H new ATOM 0 HB ILE A 21 3.750 -10.364 -3.282 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.503 -10.461 -0.336 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.701 -11.820 -1.097 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.316 -8.662 -2.392 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.756 -7.927 -2.832 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.140 -8.242 -1.124 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.166 -12.085 -1.203 1.00 0.00 H new ATOM 0 HD12 ILE A 21 5.486 -11.916 -2.839 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.300 -10.535 -2.066 1.00 0.00 H new ATOM 351 N GLY A 22 1.104 -9.480 -4.060 1.00 0.00 N ATOM 352 CA GLY A 22 0.425 -8.661 -5.058 1.00 0.00 C ATOM 353 C GLY A 22 -0.527 -7.676 -4.389 1.00 0.00 C ATOM 354 O GLY A 22 -0.429 -6.462 -4.588 1.00 0.00 O ATOM 0 H GLY A 22 1.286 -10.441 -4.349 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.160 -8.118 -5.651 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.129 -9.301 -5.745 1.00 0.00 H new ATOM 358 N PRO A 23 -1.437 -8.178 -3.600 1.00 0.00 N ATOM 359 CA PRO A 23 -2.429 -7.333 -2.878 1.00 0.00 C ATOM 360 C PRO A 23 -1.745 -6.235 -2.073 1.00 0.00 C ATOM 361 O PRO A 23 -2.307 -5.159 -1.865 1.00 0.00 O ATOM 362 CB PRO A 23 -3.158 -8.317 -1.959 1.00 0.00 C ATOM 363 CG PRO A 23 -2.946 -9.666 -2.563 1.00 0.00 C ATOM 364 CD PRO A 23 -1.616 -9.608 -3.312 1.00 0.00 C ATOM 0 HA PRO A 23 -3.105 -6.816 -3.559 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.760 -8.275 -0.945 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.220 -8.079 -1.894 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.922 -10.436 -1.792 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -3.761 -9.919 -3.241 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.799 -9.999 -2.706 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.646 -10.200 -4.227 1.00 0.00 H new ATOM 372 N LEU A 24 -0.521 -6.511 -1.631 1.00 0.00 N ATOM 373 CA LEU A 24 0.237 -5.534 -0.860 1.00 0.00 C ATOM 374 C LEU A 24 0.882 -4.525 -1.796 1.00 0.00 C ATOM 375 O LEU A 24 0.915 -3.328 -1.511 1.00 0.00 O ATOM 376 CB LEU A 24 1.315 -6.233 -0.027 1.00 0.00 C ATOM 377 CG LEU A 24 1.180 -5.820 1.441 1.00 0.00 C ATOM 378 CD1 LEU A 24 0.006 -6.562 2.088 1.00 0.00 C ATOM 379 CD2 LEU A 24 2.472 -6.165 2.185 1.00 0.00 C ATOM 0 H LEU A 24 -0.038 -7.395 -1.792 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.445 -5.015 -0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.217 -7.314 -0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.305 -5.969 -0.400 1.00 0.00 H new ATOM 0 HG LEU A 24 0.998 -4.747 1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.083 -6.262 3.132 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.915 -6.316 1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.180 -7.637 2.033 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.379 -5.872 3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.652 -7.238 2.123 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.307 -5.631 1.731 1.00 0.00 H new ATOM 391 N ILE A 25 1.373 -5.014 -2.925 1.00 0.00 N ATOM 392 CA ILE A 25 1.989 -4.141 -3.908 1.00 0.00 C ATOM 393 C ILE A 25 1.055 -2.976 -4.191 1.00 0.00 C ATOM 394 O ILE A 25 1.495 -1.859 -4.465 1.00 0.00 O ATOM 395 CB ILE A 25 2.267 -4.910 -5.201 1.00 0.00 C ATOM 396 CG1 ILE A 25 3.522 -5.770 -5.023 1.00 0.00 C ATOM 397 CG2 ILE A 25 2.483 -3.921 -6.346 1.00 0.00 C ATOM 398 CD1 ILE A 25 4.765 -4.929 -5.327 1.00 0.00 C ATOM 0 H ILE A 25 1.357 -6.001 -3.180 1.00 0.00 H new ATOM 0 HA ILE A 25 2.936 -3.768 -3.517 1.00 0.00 H new ATOM 0 HB ILE A 25 1.417 -5.552 -5.433 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.571 -6.155 -4.004 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.482 -6.633 -5.688 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.681 -4.469 -7.267 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.589 -3.310 -6.472 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.333 -3.278 -6.116 1.00 0.00 H new ATOM 0 HD11 ILE A 25 5.658 -5.541 -5.200 1.00 0.00 H new ATOM 0 HD12 ILE A 25 4.716 -4.566 -6.354 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.806 -4.081 -4.644 1.00 0.00 H new ATOM 410 N PHE A 26 -0.245 -3.252 -4.119 1.00 0.00 N ATOM 411 CA PHE A 26 -1.249 -2.223 -4.368 1.00 0.00 C ATOM 412 C PHE A 26 -1.220 -1.165 -3.269 1.00 0.00 C ATOM 413 O PHE A 26 -1.226 0.033 -3.550 1.00 0.00 O ATOM 414 CB PHE A 26 -2.640 -2.854 -4.435 1.00 0.00 C ATOM 415 CG PHE A 26 -3.052 -3.013 -5.879 1.00 0.00 C ATOM 416 CD1 PHE A 26 -3.207 -1.883 -6.692 1.00 0.00 C ATOM 417 CD2 PHE A 26 -3.277 -4.291 -6.407 1.00 0.00 C ATOM 418 CE1 PHE A 26 -3.587 -2.031 -8.031 1.00 0.00 C ATOM 419 CE2 PHE A 26 -3.657 -4.438 -7.746 1.00 0.00 C ATOM 420 CZ PHE A 26 -3.812 -3.308 -8.559 1.00 0.00 C ATOM 0 H PHE A 26 -0.625 -4.171 -3.892 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.021 -1.745 -5.321 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.635 -3.824 -3.938 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.360 -2.229 -3.907 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.033 -0.898 -6.286 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.157 -5.163 -5.781 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.707 -1.159 -8.657 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.831 -5.423 -8.153 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.105 -3.422 -9.592 1.00 0.00 H new ATOM 430 N VAL A 27 -1.190 -1.615 -2.019 1.00 0.00 N ATOM 431 CA VAL A 27 -1.161 -0.693 -0.889 1.00 0.00 C ATOM 432 C VAL A 27 0.058 0.221 -0.983 1.00 0.00 C ATOM 433 O VAL A 27 -0.027 1.417 -0.705 1.00 0.00 O ATOM 434 CB VAL A 27 -1.119 -1.477 0.425 1.00 0.00 C ATOM 435 CG1 VAL A 27 -0.694 -0.548 1.563 1.00 0.00 C ATOM 436 CG2 VAL A 27 -2.511 -2.045 0.723 1.00 0.00 C ATOM 0 H VAL A 27 -1.185 -2.603 -1.764 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.063 -0.082 -0.914 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.402 -2.293 0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.665 -1.108 2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.295 -0.143 1.351 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.410 0.269 1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.483 -2.604 1.658 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.227 -1.227 0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.814 -2.708 -0.087 1.00 0.00 H new ATOM 446 N PHE A 28 1.188 -0.351 -1.386 1.00 0.00 N ATOM 447 CA PHE A 28 2.417 0.419 -1.525 1.00 0.00 C ATOM 448 C PHE A 28 2.319 1.355 -2.722 1.00 0.00 C ATOM 449 O PHE A 28 2.864 2.459 -2.708 1.00 0.00 O ATOM 450 CB PHE A 28 3.609 -0.522 -1.705 1.00 0.00 C ATOM 451 CG PHE A 28 4.809 0.041 -0.984 1.00 0.00 C ATOM 452 CD1 PHE A 28 5.525 1.107 -1.543 1.00 0.00 C ATOM 453 CD2 PHE A 28 5.207 -0.502 0.244 1.00 0.00 C ATOM 454 CE1 PHE A 28 6.637 1.630 -0.874 1.00 0.00 C ATOM 455 CE2 PHE A 28 6.320 0.022 0.912 1.00 0.00 C ATOM 456 CZ PHE A 28 7.035 1.087 0.353 1.00 0.00 C ATOM 0 H PHE A 28 1.277 -1.340 -1.621 1.00 0.00 H new ATOM 0 HA PHE A 28 2.561 1.011 -0.621 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.368 -1.511 -1.314 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.833 -0.644 -2.765 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.219 1.525 -2.490 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.656 -1.324 0.675 1.00 0.00 H new ATOM 0 HE1 PHE A 28 7.188 2.453 -1.305 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.627 -0.396 1.859 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.894 1.490 0.868 1.00 0.00 H new ATOM 466 N LEU A 29 1.607 0.909 -3.750 1.00 0.00 N ATOM 467 CA LEU A 29 1.428 1.716 -4.948 1.00 0.00 C ATOM 468 C LEU A 29 0.636 2.969 -4.605 1.00 0.00 C ATOM 469 O LEU A 29 0.833 4.027 -5.202 1.00 0.00 O ATOM 470 CB LEU A 29 0.687 0.910 -6.019 1.00 0.00 C ATOM 471 CG LEU A 29 1.682 0.428 -7.081 1.00 0.00 C ATOM 472 CD1 LEU A 29 1.054 -0.699 -7.906 1.00 0.00 C ATOM 473 CD2 LEU A 29 2.040 1.593 -8.008 1.00 0.00 C ATOM 0 H LEU A 29 1.147 -0.001 -3.777 1.00 0.00 H new ATOM 0 HA LEU A 29 2.406 2.001 -5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.184 0.057 -5.563 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.085 1.525 -6.482 1.00 0.00 H new ATOM 0 HG LEU A 29 2.582 0.058 -6.589 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.765 -1.038 -8.659 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.797 -1.530 -7.250 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.153 -0.332 -8.397 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.748 1.252 -8.764 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.137 1.961 -8.496 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.491 2.396 -7.425 1.00 0.00 H new ATOM 485 N PHE A 30 -0.254 2.839 -3.627 1.00 0.00 N ATOM 486 CA PHE A 30 -1.068 3.964 -3.194 1.00 0.00 C ATOM 487 C PHE A 30 -0.216 4.956 -2.411 1.00 0.00 C ATOM 488 O PHE A 30 -0.370 6.169 -2.553 1.00 0.00 O ATOM 489 CB PHE A 30 -2.216 3.470 -2.312 1.00 0.00 C ATOM 490 CG PHE A 30 -3.471 3.344 -3.140 1.00 0.00 C ATOM 491 CD1 PHE A 30 -3.758 2.141 -3.796 1.00 0.00 C ATOM 492 CD2 PHE A 30 -4.349 4.429 -3.252 1.00 0.00 C ATOM 493 CE1 PHE A 30 -4.922 2.023 -4.564 1.00 0.00 C ATOM 494 CE2 PHE A 30 -5.513 4.311 -4.021 1.00 0.00 C ATOM 495 CZ PHE A 30 -5.800 3.107 -4.676 1.00 0.00 C ATOM 0 H PHE A 30 -0.428 1.970 -3.123 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.477 4.459 -4.075 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.961 2.506 -1.871 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.380 4.164 -1.488 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.081 1.304 -3.709 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.128 5.357 -2.745 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.143 1.095 -5.070 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.189 5.148 -4.109 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.699 3.015 -5.268 1.00 0.00 H new ATOM 505 N SER A 31 0.685 4.430 -1.588 1.00 0.00 N ATOM 506 CA SER A 31 1.560 5.281 -0.789 1.00 0.00 C ATOM 507 C SER A 31 2.543 6.025 -1.683 1.00 0.00 C ATOM 508 O SER A 31 2.864 7.189 -1.444 1.00 0.00 O ATOM 509 CB SER A 31 2.327 4.439 0.231 1.00 0.00 C ATOM 510 OG SER A 31 3.635 4.971 0.390 1.00 0.00 O ATOM 0 H SER A 31 0.828 3.429 -1.457 1.00 0.00 H new ATOM 0 HA SER A 31 0.943 6.009 -0.262 1.00 0.00 H new ATOM 0 HB2 SER A 31 1.803 4.439 1.187 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.381 3.403 -0.103 1.00 0.00 H new ATOM 0 HG SER A 31 4.129 4.434 1.045 1.00 0.00 H new ATOM 516 N VAL A 32 3.015 5.340 -2.713 1.00 0.00 N ATOM 517 CA VAL A 32 3.964 5.937 -3.646 1.00 0.00 C ATOM 518 C VAL A 32 3.295 7.034 -4.470 1.00 0.00 C ATOM 519 O VAL A 32 3.841 8.125 -4.627 1.00 0.00 O ATOM 520 CB VAL A 32 4.523 4.866 -4.584 1.00 0.00 C ATOM 521 CG1 VAL A 32 5.115 5.534 -5.826 1.00 0.00 C ATOM 522 CG2 VAL A 32 5.619 4.078 -3.862 1.00 0.00 C ATOM 0 H VAL A 32 2.760 4.376 -2.925 1.00 0.00 H new ATOM 0 HA VAL A 32 4.777 6.376 -3.069 1.00 0.00 H new ATOM 0 HB VAL A 32 3.721 4.190 -4.881 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.513 4.771 -6.495 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.337 6.098 -6.341 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.917 6.210 -5.528 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.018 3.314 -4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.420 4.756 -3.566 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.201 3.602 -2.975 1.00 0.00 H new ATOM 532 N VAL A 33 2.111 6.735 -4.996 1.00 0.00 N ATOM 533 CA VAL A 33 1.381 7.705 -5.804 1.00 0.00 C ATOM 534 C VAL A 33 1.038 8.940 -4.979 1.00 0.00 C ATOM 535 O VAL A 33 1.406 10.059 -5.337 1.00 0.00 O ATOM 536 CB VAL A 33 0.094 7.075 -6.340 1.00 0.00 C ATOM 537 CG1 VAL A 33 -0.847 8.177 -6.830 1.00 0.00 C ATOM 538 CG2 VAL A 33 0.431 6.140 -7.505 1.00 0.00 C ATOM 0 H VAL A 33 1.641 5.838 -4.879 1.00 0.00 H new ATOM 0 HA VAL A 33 2.015 8.004 -6.639 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.391 6.508 -5.546 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.764 7.729 -7.212 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.087 8.845 -6.003 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.361 8.743 -7.625 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.485 5.691 -7.888 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.916 6.708 -8.299 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.103 5.355 -7.159 1.00 0.00 H new ATOM 548 N ILE A 34 0.332 8.730 -3.871 1.00 0.00 N ATOM 549 CA ILE A 34 -0.055 9.835 -3.001 1.00 0.00 C ATOM 550 C ILE A 34 1.174 10.547 -2.457 1.00 0.00 C ATOM 551 O ILE A 34 1.099 11.694 -2.016 1.00 0.00 O ATOM 552 CB ILE A 34 -0.905 9.316 -1.840 1.00 0.00 C ATOM 553 CG1 ILE A 34 -2.166 8.647 -2.391 1.00 0.00 C ATOM 554 CG2 ILE A 34 -1.302 10.485 -0.936 1.00 0.00 C ATOM 555 CD1 ILE A 34 -2.934 9.643 -3.262 1.00 0.00 C ATOM 0 H ILE A 34 0.019 7.812 -3.557 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.639 10.544 -3.588 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.330 8.591 -1.265 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.898 7.768 -2.976 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.796 8.304 -1.571 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.908 10.116 -0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.404 10.963 -0.544 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.877 11.211 -1.511 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.832 9.166 -3.654 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.215 10.509 -2.663 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.303 9.964 -4.090 1.00 0.00 H new ATOM 567 N GLY A 35 2.302 9.857 -2.492 1.00 0.00 N ATOM 568 CA GLY A 35 3.549 10.425 -2.001 1.00 0.00 C ATOM 569 C GLY A 35 4.021 11.557 -2.896 1.00 0.00 C ATOM 570 O GLY A 35 4.214 12.686 -2.443 1.00 0.00 O ATOM 0 H GLY A 35 2.381 8.907 -2.853 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.409 10.794 -0.985 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.313 9.649 -1.956 1.00 0.00 H new ATOM 574 N SER A 36 4.182 11.251 -4.173 1.00 0.00 N ATOM 575 CA SER A 36 4.606 12.253 -5.132 1.00 0.00 C ATOM 576 C SER A 36 3.497 13.273 -5.287 1.00 0.00 C ATOM 577 O SER A 36 3.733 14.428 -5.640 1.00 0.00 O ATOM 578 CB SER A 36 4.909 11.602 -6.481 1.00 0.00 C ATOM 579 OG SER A 36 3.755 10.911 -6.938 1.00 0.00 O ATOM 0 H SER A 36 4.026 10.323 -4.566 1.00 0.00 H new ATOM 0 HA SER A 36 5.514 12.740 -4.776 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.204 12.361 -7.206 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.746 10.911 -6.385 1.00 0.00 H new ATOM 0 HG SER A 36 3.137 10.775 -6.190 1.00 0.00 H new ATOM 585 N ILE A 37 2.278 12.824 -5.011 1.00 0.00 N ATOM 586 CA ILE A 37 1.114 13.696 -5.113 1.00 0.00 C ATOM 587 C ILE A 37 1.085 14.675 -3.942 1.00 0.00 C ATOM 588 O ILE A 37 0.717 15.838 -4.100 1.00 0.00 O ATOM 589 CB ILE A 37 -0.175 12.855 -5.150 1.00 0.00 C ATOM 590 CG1 ILE A 37 -0.988 13.225 -6.394 1.00 0.00 C ATOM 591 CG2 ILE A 37 -1.023 13.110 -3.900 1.00 0.00 C ATOM 592 CD1 ILE A 37 -0.394 12.524 -7.618 1.00 0.00 C ATOM 0 H ILE A 37 2.071 11.869 -4.717 1.00 0.00 H new ATOM 0 HA ILE A 37 1.180 14.269 -6.038 1.00 0.00 H new ATOM 0 HB ILE A 37 0.098 11.800 -5.181 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.029 12.930 -6.262 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.979 14.305 -6.540 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.929 12.506 -3.946 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.452 12.840 -3.012 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.292 14.165 -3.852 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.972 12.787 -8.504 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.640 12.841 -7.752 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.427 11.445 -7.471 1.00 0.00 H new ATOM 604 N TYR A 38 1.478 14.190 -2.768 1.00 0.00 N ATOM 605 CA TYR A 38 1.493 15.030 -1.577 1.00 0.00 C ATOM 606 C TYR A 38 2.142 16.376 -1.883 1.00 0.00 C ATOM 607 O TYR A 38 1.673 17.420 -1.432 1.00 0.00 O ATOM 608 CB TYR A 38 2.264 14.333 -0.453 1.00 0.00 C ATOM 609 CG TYR A 38 1.543 14.548 0.856 1.00 0.00 C ATOM 610 CD1 TYR A 38 0.267 14.007 1.049 1.00 0.00 C ATOM 611 CD2 TYR A 38 2.150 15.290 1.876 1.00 0.00 C ATOM 612 CE1 TYR A 38 -0.403 14.207 2.261 1.00 0.00 C ATOM 613 CE2 TYR A 38 1.480 15.491 3.089 1.00 0.00 C ATOM 614 CZ TYR A 38 0.204 14.949 3.281 1.00 0.00 C ATOM 615 OH TYR A 38 -0.457 15.148 4.476 1.00 0.00 O ATOM 0 H TYR A 38 1.787 13.230 -2.617 1.00 0.00 H new ATOM 0 HA TYR A 38 0.464 15.197 -1.259 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.350 13.267 -0.663 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.278 14.729 -0.392 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.201 13.435 0.262 1.00 0.00 H new ATOM 0 HD2 TYR A 38 3.135 15.707 1.727 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.388 13.789 2.409 1.00 0.00 H new ATOM 0 HE2 TYR A 38 1.948 16.064 3.876 1.00 0.00 H new ATOM 0 HH TYR A 38 0.104 15.683 5.075 1.00 0.00 H new ATOM 625 N LEU A 39 3.221 16.342 -2.659 1.00 0.00 N ATOM 626 CA LEU A 39 3.923 17.567 -3.025 1.00 0.00 C ATOM 627 C LEU A 39 2.927 18.644 -3.443 1.00 0.00 C ATOM 628 O LEU A 39 3.070 19.812 -3.079 1.00 0.00 O ATOM 629 CB LEU A 39 4.887 17.290 -4.180 1.00 0.00 C ATOM 630 CG LEU A 39 6.169 16.654 -3.639 1.00 0.00 C ATOM 631 CD1 LEU A 39 6.917 15.966 -4.782 1.00 0.00 C ATOM 632 CD2 LEU A 39 7.059 17.739 -3.026 1.00 0.00 C ATOM 0 H LEU A 39 3.625 15.488 -3.043 1.00 0.00 H new ATOM 0 HA LEU A 39 4.484 17.918 -2.159 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.418 16.626 -4.906 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.122 18.218 -4.701 1.00 0.00 H new ATOM 0 HG LEU A 39 5.916 15.919 -2.875 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.831 15.512 -4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.284 15.193 -5.218 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.170 16.701 -5.546 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.972 17.286 -2.641 1.00 0.00 H new ATOM 0 HD22 LEU A 39 7.313 18.475 -3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.526 18.230 -2.212 1.00 0.00 H new ATOM 644 N PHE A 40 1.919 18.241 -4.210 1.00 0.00 N ATOM 645 CA PHE A 40 0.902 19.175 -4.679 1.00 0.00 C ATOM 646 C PHE A 40 0.067 19.696 -3.511 1.00 0.00 C ATOM 647 O PHE A 40 -0.504 20.783 -3.581 1.00 0.00 O ATOM 648 CB PHE A 40 -0.012 18.483 -5.693 1.00 0.00 C ATOM 649 CG PHE A 40 0.335 18.944 -7.089 1.00 0.00 C ATOM 650 CD1 PHE A 40 0.187 20.291 -7.438 1.00 0.00 C ATOM 651 CD2 PHE A 40 0.806 18.023 -8.034 1.00 0.00 C ATOM 652 CE1 PHE A 40 0.509 20.719 -8.731 1.00 0.00 C ATOM 653 CE2 PHE A 40 1.129 18.451 -9.327 1.00 0.00 C ATOM 654 CZ PHE A 40 0.980 19.799 -9.676 1.00 0.00 C ATOM 0 H PHE A 40 1.785 17.278 -4.519 1.00 0.00 H new ATOM 0 HA PHE A 40 1.403 20.018 -5.155 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.100 17.401 -5.619 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.055 18.712 -5.473 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.176 21.001 -6.709 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.920 16.983 -7.765 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.394 21.759 -9.000 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.493 17.742 -10.055 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.228 20.129 -10.674 1.00 0.00 H new ATOM 664 N LEU A 41 -0.002 18.910 -2.441 1.00 0.00 N ATOM 665 CA LEU A 41 -0.774 19.304 -1.267 1.00 0.00 C ATOM 666 C LEU A 41 -0.078 20.431 -0.519 1.00 0.00 C ATOM 667 O LEU A 41 -0.661 21.065 0.360 1.00 0.00 O ATOM 668 CB LEU A 41 -0.967 18.103 -0.337 1.00 0.00 C ATOM 669 CG LEU A 41 -2.461 17.880 -0.090 1.00 0.00 C ATOM 670 CD1 LEU A 41 -3.067 19.135 0.539 1.00 0.00 C ATOM 671 CD2 LEU A 41 -3.158 17.590 -1.421 1.00 0.00 C ATOM 0 H LEU A 41 0.462 18.005 -2.362 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.749 19.659 -1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.524 17.211 -0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.454 18.276 0.609 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.596 17.035 0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.131 18.976 0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.570 19.344 1.486 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.933 19.981 -0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.222 17.431 -1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.023 18.436 -2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.726 16.696 -1.871 1.00 0.00 H new ATOM 683 N ARG A 42 1.172 20.670 -0.878 1.00 0.00 N ATOM 684 CA ARG A 42 1.956 21.723 -0.243 1.00 0.00 C ATOM 685 C ARG A 42 1.313 23.085 -0.487 1.00 0.00 C ATOM 686 O ARG A 42 1.777 24.103 0.026 1.00 0.00 O ATOM 687 CB ARG A 42 3.383 21.721 -0.799 1.00 0.00 C ATOM 688 CG ARG A 42 4.301 22.518 0.131 1.00 0.00 C ATOM 689 CD ARG A 42 5.735 22.008 -0.009 1.00 0.00 C ATOM 690 NE ARG A 42 6.199 22.173 -1.381 1.00 0.00 N ATOM 691 CZ ARG A 42 7.491 22.093 -1.685 1.00 0.00 C ATOM 692 NH1 ARG A 42 8.370 21.866 -0.747 1.00 0.00 N ATOM 693 NH2 ARG A 42 7.880 22.245 -2.921 1.00 0.00 N ATOM 0 H ARG A 42 1.667 20.152 -1.604 1.00 0.00 H new ATOM 0 HA ARG A 42 1.987 21.533 0.830 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.745 20.697 -0.893 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.395 22.157 -1.798 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.255 23.579 -0.116 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.967 22.417 1.164 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.390 22.552 0.671 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.784 20.957 0.275 1.00 0.00 H new ATOM 0 HE ARG A 42 5.520 22.353 -2.121 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.066 21.750 0.220 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.361 21.805 -0.981 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.193 22.425 -3.653 1.00 0.00 H new ATOM 0 HH22 ARG A 42 8.871 22.184 -3.155 1.00 0.00 H new ATOM 707 N LYS A 43 0.241 23.091 -1.272 1.00 0.00 N ATOM 708 CA LYS A 43 -0.466 24.329 -1.584 1.00 0.00 C ATOM 709 C LYS A 43 -1.000 24.987 -0.312 1.00 0.00 C ATOM 710 O LYS A 43 -1.784 25.933 -0.378 1.00 0.00 O ATOM 711 CB LYS A 43 -1.630 24.036 -2.533 1.00 0.00 C ATOM 712 CG LYS A 43 -2.468 22.884 -1.975 1.00 0.00 C ATOM 713 CD LYS A 43 -3.128 22.126 -3.128 1.00 0.00 C ATOM 714 CE LYS A 43 -4.238 22.985 -3.734 1.00 0.00 C ATOM 715 NZ LYS A 43 -5.195 23.388 -2.664 1.00 0.00 N ATOM 0 H LYS A 43 -0.157 22.256 -1.703 1.00 0.00 H new ATOM 0 HA LYS A 43 0.236 25.013 -2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.249 24.925 -2.651 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.251 23.778 -3.522 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.837 22.209 -1.396 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.229 23.270 -1.297 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.386 21.882 -3.889 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.539 21.182 -2.769 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.811 23.869 -4.207 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.760 22.428 -4.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.125 23.586 -3.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.286 22.618 -1.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.843 24.242 -2.187 1.00 0.00 H new ATOM 729 N ARG A 44 -0.569 24.480 0.840 1.00 0.00 N ATOM 730 CA ARG A 44 -1.009 25.025 2.120 1.00 0.00 C ATOM 731 C ARG A 44 -1.406 26.491 1.974 1.00 0.00 C ATOM 732 O ARG A 44 -0.660 27.293 1.414 1.00 0.00 O ATOM 733 CB ARG A 44 0.114 24.900 3.153 1.00 0.00 C ATOM 734 CG ARG A 44 -0.451 25.147 4.554 1.00 0.00 C ATOM 735 CD ARG A 44 0.619 24.828 5.599 1.00 0.00 C ATOM 736 NE ARG A 44 1.946 24.880 4.996 1.00 0.00 N ATOM 737 CZ ARG A 44 3.003 24.367 5.618 1.00 0.00 C ATOM 738 NH1 ARG A 44 2.862 23.808 6.788 1.00 0.00 N ATOM 739 NH2 ARG A 44 4.181 24.426 5.058 1.00 0.00 N ATOM 0 H ARG A 44 0.081 23.697 0.913 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.878 24.458 2.454 1.00 0.00 H new ATOM 0 HB2 ARG A 44 0.563 23.908 3.100 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.904 25.619 2.936 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.771 26.184 4.651 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.331 24.525 4.718 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.558 25.540 6.422 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.442 23.838 6.020 1.00 0.00 H new ATOM 0 HE ARG A 44 2.065 25.317 4.082 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.941 23.765 7.225 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.672 23.414 7.266 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.290 24.865 4.144 1.00 0.00 H new ATOM 0 HH22 ARG A 44 4.993 24.033 5.535 1.00 0.00 H new ATOM 753 N GLN A 45 -2.587 26.831 2.481 1.00 0.00 N ATOM 754 CA GLN A 45 -3.073 28.204 2.401 1.00 0.00 C ATOM 755 C GLN A 45 -4.219 28.425 3.386 1.00 0.00 C ATOM 756 O GLN A 45 -4.993 27.510 3.668 1.00 0.00 O ATOM 757 CB GLN A 45 -3.558 28.502 0.981 1.00 0.00 C ATOM 758 CG GLN A 45 -4.555 27.425 0.547 1.00 0.00 C ATOM 759 CD GLN A 45 -5.338 27.901 -0.673 1.00 0.00 C ATOM 760 OE1 GLN A 45 -6.233 28.737 -0.549 1.00 0.00 O ATOM 761 NE2 GLN A 45 -5.053 27.415 -1.849 1.00 0.00 N ATOM 0 H GLN A 45 -3.220 26.181 2.947 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.253 28.876 2.656 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.029 29.485 0.944 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -2.712 28.528 0.294 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -4.026 26.501 0.312 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -5.240 27.201 1.365 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.311 26.722 -1.948 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.572 27.727 -2.669 1.00 0.00 H new ATOM 770 N PRO A 46 -4.339 29.618 3.906 1.00 0.00 N ATOM 771 CA PRO A 46 -5.413 29.969 4.875 1.00 0.00 C ATOM 772 C PRO A 46 -6.756 29.352 4.495 1.00 0.00 C ATOM 773 O PRO A 46 -7.035 29.128 3.317 1.00 0.00 O ATOM 774 CB PRO A 46 -5.472 31.494 4.801 1.00 0.00 C ATOM 775 CG PRO A 46 -4.103 31.930 4.391 1.00 0.00 C ATOM 776 CD PRO A 46 -3.463 30.765 3.626 1.00 0.00 C ATOM 0 HA PRO A 46 -5.205 29.591 5.876 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.220 31.823 4.080 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.748 31.923 5.764 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.155 32.819 3.763 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -3.505 32.191 5.264 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.410 30.973 2.557 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -2.444 30.579 3.965 1.00 0.00 H new ATOM 784 N ASP A 47 -7.581 29.075 5.499 1.00 0.00 N ATOM 785 CA ASP A 47 -8.886 28.483 5.263 1.00 0.00 C ATOM 786 C ASP A 47 -9.803 29.463 4.550 1.00 0.00 C ATOM 787 O ASP A 47 -10.997 29.546 4.839 1.00 0.00 O ATOM 788 CB ASP A 47 -9.517 28.042 6.584 1.00 0.00 C ATOM 789 CG ASP A 47 -8.714 26.895 7.189 1.00 0.00 C ATOM 790 OD1 ASP A 47 -8.908 25.770 6.759 1.00 0.00 O ATOM 791 OD2 ASP A 47 -7.915 27.160 8.074 1.00 0.00 O ATOM 0 H ASP A 47 -7.367 29.252 6.481 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.752 27.609 4.626 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.549 28.881 7.279 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.547 27.727 6.417 1.00 0.00 H new ATOM 796 N GLY A 48 -9.226 30.202 3.620 1.00 0.00 N ATOM 797 CA GLY A 48 -9.981 31.187 2.854 1.00 0.00 C ATOM 798 C GLY A 48 -10.556 30.570 1.584 1.00 0.00 C ATOM 799 O GLY A 48 -10.450 29.363 1.365 1.00 0.00 O ATOM 0 H GLY A 48 -8.238 30.142 3.374 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -10.789 31.587 3.466 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.334 32.025 2.594 1.00 0.00 H new ATOM 803 N PRO A 49 -11.159 31.376 0.752 1.00 0.00 N ATOM 804 CA PRO A 49 -11.767 30.911 -0.526 1.00 0.00 C ATOM 805 C PRO A 49 -10.711 30.604 -1.586 1.00 0.00 C ATOM 806 O PRO A 49 -10.047 31.507 -2.093 1.00 0.00 O ATOM 807 CB PRO A 49 -12.648 32.085 -0.955 1.00 0.00 C ATOM 808 CG PRO A 49 -12.031 33.294 -0.332 1.00 0.00 C ATOM 809 CD PRO A 49 -11.325 32.826 0.943 1.00 0.00 C ATOM 0 HA PRO A 49 -12.321 29.981 -0.403 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -12.680 32.176 -2.041 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -13.675 31.950 -0.616 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -11.323 33.762 -1.016 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -12.791 34.040 -0.101 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.364 33.323 1.071 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.919 33.045 1.830 1.00 0.00 H new ATOM 817 N LEU A 50 -10.562 29.324 -1.911 1.00 0.00 N ATOM 818 CA LEU A 50 -9.582 28.910 -2.910 1.00 0.00 C ATOM 819 C LEU A 50 -9.557 29.889 -4.078 1.00 0.00 C ATOM 820 O LEU A 50 -8.587 29.945 -4.832 1.00 0.00 O ATOM 821 CB LEU A 50 -9.919 27.509 -3.424 1.00 0.00 C ATOM 822 CG LEU A 50 -9.179 26.463 -2.589 1.00 0.00 C ATOM 823 CD1 LEU A 50 -9.797 26.394 -1.192 1.00 0.00 C ATOM 824 CD2 LEU A 50 -9.298 25.097 -3.268 1.00 0.00 C ATOM 0 H LEU A 50 -11.102 28.561 -1.502 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.598 28.899 -2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.994 27.339 -3.368 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.636 27.418 -4.473 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.128 26.739 -2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.269 25.648 -0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.715 27.368 -0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.848 26.117 -1.272 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.771 24.349 -2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.349 24.821 -3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.858 25.146 -4.264 1.00 0.00 H new ATOM 836 N GLU A 51 -10.629 30.663 -4.222 1.00 0.00 N ATOM 837 CA GLU A 51 -10.715 31.635 -5.304 1.00 0.00 C ATOM 838 C GLU A 51 -10.633 33.057 -4.758 1.00 0.00 C ATOM 839 O GLU A 51 -10.768 33.279 -3.555 1.00 0.00 O ATOM 840 CB GLU A 51 -12.028 31.453 -6.070 1.00 0.00 C ATOM 841 CG GLU A 51 -13.161 31.172 -5.082 1.00 0.00 C ATOM 842 CD GLU A 51 -14.506 31.475 -5.732 1.00 0.00 C ATOM 843 OE1 GLU A 51 -14.525 32.248 -6.676 1.00 0.00 O ATOM 844 OE2 GLU A 51 -15.498 30.930 -5.278 1.00 0.00 O ATOM 0 H GLU A 51 -11.443 30.636 -3.608 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.876 31.470 -5.980 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.250 32.349 -6.649 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.937 30.630 -6.779 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.128 30.130 -4.765 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -13.034 31.782 -4.188 1.00 0.00 H new ATOM 851 N HIS A 52 -10.410 34.014 -5.652 1.00 0.00 N ATOM 852 CA HIS A 52 -10.308 35.413 -5.252 1.00 0.00 C ATOM 853 C HIS A 52 -10.077 36.300 -6.472 1.00 0.00 C ATOM 854 O HIS A 52 -9.385 37.316 -6.391 1.00 0.00 O ATOM 855 CB HIS A 52 -9.156 35.590 -4.261 1.00 0.00 C ATOM 856 CG HIS A 52 -9.034 37.041 -3.882 1.00 0.00 C ATOM 857 ND1 HIS A 52 -8.022 37.850 -4.372 1.00 0.00 N ATOM 858 CD2 HIS A 52 -9.791 37.841 -3.061 1.00 0.00 C ATOM 859 CE1 HIS A 52 -8.194 39.077 -3.847 1.00 0.00 C ATOM 860 NE2 HIS A 52 -9.258 39.126 -3.041 1.00 0.00 N ATOM 0 H HIS A 52 -10.297 33.849 -6.652 1.00 0.00 H new ATOM 0 HA HIS A 52 -11.243 35.707 -4.775 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -9.332 34.985 -3.372 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -8.224 35.240 -4.705 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -10.666 37.521 -2.515 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.550 39.919 -4.052 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -9.605 39.933 -2.522 1.00 0.00 H new ATOM 869 N HIS A 53 -10.659 35.906 -7.600 1.00 0.00 N ATOM 870 CA HIS A 53 -10.509 36.667 -8.836 1.00 0.00 C ATOM 871 C HIS A 53 -11.636 37.686 -8.982 1.00 0.00 C ATOM 872 O HIS A 53 -11.958 38.115 -10.089 1.00 0.00 O ATOM 873 CB HIS A 53 -10.519 35.718 -10.035 1.00 0.00 C ATOM 874 CG HIS A 53 -9.249 34.912 -10.048 1.00 0.00 C ATOM 875 ND1 HIS A 53 -9.089 33.798 -10.858 1.00 0.00 N ATOM 876 CD2 HIS A 53 -8.070 35.047 -9.358 1.00 0.00 C ATOM 877 CE1 HIS A 53 -7.855 33.310 -10.636 1.00 0.00 C ATOM 878 NE2 HIS A 53 -7.191 34.034 -9.731 1.00 0.00 N ATOM 0 H HIS A 53 -11.236 35.069 -7.684 1.00 0.00 H new ATOM 0 HA HIS A 53 -9.558 37.199 -8.799 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -11.382 35.055 -9.980 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -10.611 36.286 -10.961 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.857 35.821 -8.636 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -7.450 32.439 -11.130 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -6.243 33.878 -9.387 1.00 0.00 H new ATOM 887 N HIS A 54 -12.233 38.069 -7.857 1.00 0.00 N ATOM 888 CA HIS A 54 -13.323 39.037 -7.874 1.00 0.00 C ATOM 889 C HIS A 54 -13.613 39.541 -6.464 1.00 0.00 C ATOM 890 O HIS A 54 -13.367 38.842 -5.481 1.00 0.00 O ATOM 891 CB HIS A 54 -14.583 38.397 -8.459 1.00 0.00 C ATOM 892 CG HIS A 54 -15.726 39.372 -8.378 1.00 0.00 C ATOM 893 ND1 HIS A 54 -15.542 40.739 -8.525 1.00 0.00 N ATOM 894 CD2 HIS A 54 -17.071 39.194 -8.170 1.00 0.00 C ATOM 895 CE1 HIS A 54 -16.747 41.324 -8.403 1.00 0.00 C ATOM 896 NE2 HIS A 54 -17.713 40.428 -8.186 1.00 0.00 N ATOM 0 H HIS A 54 -11.982 37.727 -6.929 1.00 0.00 H new ATOM 0 HA HIS A 54 -13.024 39.881 -8.495 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -14.410 38.109 -9.496 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -14.828 37.487 -7.912 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -17.557 38.242 -8.017 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -16.913 42.389 -8.472 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -18.709 40.610 -8.059 1.00 0.00 H new ATOM 905 N HIS A 55 -14.138 40.758 -6.373 1.00 0.00 N ATOM 906 CA HIS A 55 -14.459 41.347 -5.077 1.00 0.00 C ATOM 907 C HIS A 55 -15.947 41.200 -4.777 1.00 0.00 C ATOM 908 O HIS A 55 -16.707 40.685 -5.596 1.00 0.00 O ATOM 909 CB HIS A 55 -14.079 42.828 -5.068 1.00 0.00 C ATOM 910 CG HIS A 55 -12.617 42.969 -4.746 1.00 0.00 C ATOM 911 ND1 HIS A 55 -11.683 43.348 -5.698 1.00 0.00 N ATOM 912 CD2 HIS A 55 -11.913 42.785 -3.582 1.00 0.00 C ATOM 913 CE1 HIS A 55 -10.480 43.380 -5.095 1.00 0.00 C ATOM 914 NE2 HIS A 55 -10.563 43.045 -3.804 1.00 0.00 N ATOM 0 H HIS A 55 -14.349 41.353 -7.174 1.00 0.00 H new ATOM 0 HA HIS A 55 -13.891 40.822 -4.309 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -14.293 43.275 -6.039 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -14.678 43.364 -4.331 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -12.341 42.484 -2.637 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.559 43.644 -5.594 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -9.802 42.991 -3.127 1.00 0.00 H new ATOM 923 N HIS A 56 -16.356 41.654 -3.597 1.00 0.00 N ATOM 924 CA HIS A 56 -17.756 41.568 -3.200 1.00 0.00 C ATOM 925 C HIS A 56 -18.273 42.932 -2.756 1.00 0.00 C ATOM 926 O HIS A 56 -19.248 43.024 -2.011 1.00 0.00 O ATOM 927 CB HIS A 56 -17.913 40.564 -2.055 1.00 0.00 C ATOM 928 CG HIS A 56 -19.371 40.254 -1.859 1.00 0.00 C ATOM 929 ND1 HIS A 56 -20.191 39.868 -2.907 1.00 0.00 N ATOM 930 CD2 HIS A 56 -20.170 40.267 -0.743 1.00 0.00 C ATOM 931 CE1 HIS A 56 -21.423 39.668 -2.405 1.00 0.00 C ATOM 932 NE2 HIS A 56 -21.466 39.897 -1.091 1.00 0.00 N ATOM 0 H HIS A 56 -15.743 42.082 -2.904 1.00 0.00 H new ATOM 0 HA HIS A 56 -18.337 41.234 -4.059 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -17.363 39.650 -2.280 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -17.490 40.973 -1.137 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -19.843 40.525 0.253 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -22.274 39.360 -2.994 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -22.275 39.818 -0.474 1.00 0.00 H new ATOM 941 N HIS A 57 -17.614 43.989 -3.220 1.00 0.00 N ATOM 942 CA HIS A 57 -18.017 45.344 -2.863 1.00 0.00 C ATOM 943 C HIS A 57 -17.727 45.617 -1.391 1.00 0.00 C ATOM 944 O HIS A 57 -18.132 44.853 -0.516 1.00 0.00 O ATOM 945 CB HIS A 57 -19.511 45.531 -3.134 1.00 0.00 C ATOM 946 CG HIS A 57 -19.832 46.999 -3.185 1.00 0.00 C ATOM 947 ND1 HIS A 57 -19.875 47.787 -2.045 1.00 0.00 N ATOM 948 CD2 HIS A 57 -20.129 47.837 -4.231 1.00 0.00 C ATOM 949 CE1 HIS A 57 -20.187 49.039 -2.428 1.00 0.00 C ATOM 950 NE2 HIS A 57 -20.353 49.125 -3.751 1.00 0.00 N ATOM 0 H HIS A 57 -16.805 43.935 -3.839 1.00 0.00 H new ATOM 0 HA HIS A 57 -17.447 46.046 -3.471 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -19.783 45.056 -4.077 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -20.097 45.047 -2.352 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -20.181 47.542 -5.269 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -20.291 49.872 -1.749 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -20.592 49.955 -4.293 1.00 0.00 H new TER 959 HIS A 57