USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 427 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 CYS SG : rot 155:sc= -1.48 USER MOD Set 1.2: A 18 HIS : no HE2:sc= -6.19! C(o=-13!,f=-16!) USER MOD Set 1.3: A 34 CYS SG : rot 80:sc= -0.381 USER MOD Set 1.4: A 37 CYS SG : rot -37:sc= -5.04! USER MOD Set 2.1: A 4 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 5 SER OG : rot 180:sc= 0.0328 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -171:sc= 0 (180deg=-0.0403) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.248 K(o=-0.25,f=-0.82) USER MOD Single : A 59 LYS NZ :NH3+ 158:sc=-0.00735 (180deg=-0.253) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -26.681 1.018 -11.625 1.00 0.00 N ATOM 2 CA ALA A 2 -27.010 2.468 -11.614 1.00 0.00 C ATOM 3 C ALA A 2 -26.954 3.053 -13.021 1.00 0.00 C ATOM 4 O ALA A 2 -26.521 2.389 -13.963 1.00 0.00 O ATOM 5 CB ALA A 2 -26.058 3.217 -10.693 1.00 0.00 C ATOM 0 HA ALA A 2 -28.027 2.582 -11.240 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -26.310 4.278 -10.694 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -26.147 2.824 -9.680 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -25.034 3.087 -11.044 1.00 0.00 H new ATOM 10 N SER A 3 -27.393 4.300 -13.154 1.00 0.00 N ATOM 11 CA SER A 3 -27.391 4.974 -14.447 1.00 0.00 C ATOM 12 C SER A 3 -26.194 5.911 -14.570 1.00 0.00 C ATOM 13 O SER A 3 -26.266 6.943 -15.237 1.00 0.00 O ATOM 14 CB SER A 3 -28.691 5.760 -14.637 1.00 0.00 C ATOM 15 OG SER A 3 -29.668 4.976 -15.301 1.00 0.00 O ATOM 0 H SER A 3 -27.754 4.863 -12.384 1.00 0.00 H new ATOM 0 HA SER A 3 -27.316 4.215 -15.225 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.073 6.078 -13.667 1.00 0.00 H new ATOM 0 HB3 SER A 3 -28.492 6.664 -15.213 1.00 0.00 H new ATOM 0 HG SER A 3 -30.489 5.499 -15.409 1.00 0.00 H new ATOM 21 N THR A 4 -25.094 5.544 -13.921 1.00 0.00 N ATOM 22 CA THR A 4 -23.879 6.350 -13.957 1.00 0.00 C ATOM 23 C THR A 4 -22.648 5.471 -14.150 1.00 0.00 C ATOM 24 O THR A 4 -21.794 5.758 -14.988 1.00 0.00 O ATOM 25 CB THR A 4 -23.744 7.162 -12.668 1.00 0.00 C ATOM 26 OG1 THR A 4 -23.961 6.341 -11.533 1.00 0.00 O ATOM 27 CG2 THR A 4 -24.711 8.322 -12.586 1.00 0.00 C ATOM 0 H THR A 4 -25.019 4.693 -13.363 1.00 0.00 H new ATOM 0 HA THR A 4 -23.950 7.033 -14.803 1.00 0.00 H new ATOM 0 HB THR A 4 -22.728 7.558 -12.682 1.00 0.00 H new ATOM 0 HG1 THR A 4 -23.869 6.878 -10.718 1.00 0.00 H new ATOM 0 HG21 THR A 4 -24.561 8.855 -11.647 1.00 0.00 H new ATOM 0 HG22 THR A 4 -24.536 9.001 -13.421 1.00 0.00 H new ATOM 0 HG23 THR A 4 -25.734 7.947 -12.631 1.00 0.00 H new ATOM 35 N SER A 5 -22.565 4.397 -13.370 1.00 0.00 N ATOM 36 CA SER A 5 -21.438 3.476 -13.455 1.00 0.00 C ATOM 37 C SER A 5 -21.613 2.511 -14.624 1.00 0.00 C ATOM 38 O SER A 5 -22.487 2.699 -15.470 1.00 0.00 O ATOM 39 CB SER A 5 -21.294 2.691 -12.150 1.00 0.00 C ATOM 40 OG SER A 5 -21.903 3.379 -11.070 1.00 0.00 O ATOM 0 H SER A 5 -23.265 4.144 -12.672 1.00 0.00 H new ATOM 0 HA SER A 5 -20.534 4.062 -13.621 1.00 0.00 H new ATOM 0 HB2 SER A 5 -21.750 1.707 -12.262 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.238 2.530 -11.933 1.00 0.00 H new ATOM 0 HG SER A 5 -21.798 2.856 -10.248 1.00 0.00 H new ATOM 46 N ARG A 6 -20.777 1.478 -14.664 1.00 0.00 N ATOM 47 CA ARG A 6 -20.841 0.486 -15.731 1.00 0.00 C ATOM 48 C ARG A 6 -20.514 -0.906 -15.200 1.00 0.00 C ATOM 49 O ARG A 6 -21.302 -1.840 -15.353 1.00 0.00 O ATOM 50 CB ARG A 6 -19.875 0.855 -16.858 1.00 0.00 C ATOM 51 CG ARG A 6 -20.509 1.700 -17.951 1.00 0.00 C ATOM 52 CD ARG A 6 -19.821 1.492 -19.292 1.00 0.00 C ATOM 53 NE ARG A 6 -20.663 0.757 -20.231 1.00 0.00 N ATOM 54 CZ ARG A 6 -21.653 1.309 -20.928 1.00 0.00 C ATOM 55 NH1 ARG A 6 -21.929 2.601 -20.795 1.00 0.00 N ATOM 56 NH2 ARG A 6 -22.370 0.568 -21.763 1.00 0.00 N ATOM 0 H ARG A 6 -20.049 1.306 -13.971 1.00 0.00 H new ATOM 0 HA ARG A 6 -21.858 0.476 -16.123 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -19.028 1.397 -16.437 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -19.480 -0.059 -17.300 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -21.565 1.447 -18.041 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -20.456 2.753 -17.674 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -19.561 2.460 -19.720 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -18.888 0.949 -19.140 1.00 0.00 H new ATOM 0 HE ARG A 6 -20.482 -0.238 -20.360 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -21.381 3.176 -20.156 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -22.689 3.018 -21.332 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -22.162 -0.425 -21.871 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -23.129 0.991 -22.297 1.00 0.00 H new ATOM 70 N LEU A 7 -19.347 -1.040 -14.576 1.00 0.00 N ATOM 71 CA LEU A 7 -18.919 -2.320 -14.025 1.00 0.00 C ATOM 72 C LEU A 7 -18.952 -2.297 -12.500 1.00 0.00 C ATOM 73 O LEU A 7 -19.494 -3.206 -11.870 1.00 0.00 O ATOM 74 CB LEU A 7 -17.507 -2.660 -14.510 1.00 0.00 C ATOM 75 CG LEU A 7 -17.361 -2.805 -16.026 1.00 0.00 C ATOM 76 CD1 LEU A 7 -15.984 -2.345 -16.477 1.00 0.00 C ATOM 77 CD2 LEU A 7 -17.608 -4.245 -16.449 1.00 0.00 C ATOM 0 H LEU A 7 -18.682 -0.278 -14.440 1.00 0.00 H new ATOM 0 HA LEU A 7 -19.612 -3.086 -14.373 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -16.824 -1.882 -14.167 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -17.192 -3.591 -14.039 1.00 0.00 H new ATOM 0 HG LEU A 7 -18.108 -2.172 -16.506 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -15.899 -2.456 -17.558 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -15.844 -1.298 -16.207 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -15.220 -2.951 -15.989 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -17.500 -4.330 -17.530 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -16.885 -4.897 -15.960 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -18.617 -4.541 -16.161 1.00 0.00 H new ATOM 89 N ASP A 8 -18.369 -1.256 -11.915 1.00 0.00 N ATOM 90 CA ASP A 8 -18.330 -1.113 -10.462 1.00 0.00 C ATOM 91 C ASP A 8 -17.539 -2.249 -9.822 1.00 0.00 C ATOM 92 O ASP A 8 -16.368 -2.086 -9.477 1.00 0.00 O ATOM 93 CB ASP A 8 -19.749 -1.070 -9.889 1.00 0.00 C ATOM 94 CG ASP A 8 -20.475 0.214 -10.239 1.00 0.00 C ATOM 95 OD1 ASP A 8 -19.863 1.295 -10.112 1.00 0.00 O ATOM 96 OD2 ASP A 8 -21.655 0.139 -10.641 1.00 0.00 O ATOM 0 H ASP A 8 -17.916 -0.497 -12.425 1.00 0.00 H new ATOM 0 HA ASP A 8 -17.828 -0.173 -10.230 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -20.317 -1.920 -10.268 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -19.703 -1.175 -8.805 1.00 0.00 H new ATOM 101 N ALA A 9 -18.182 -3.404 -9.667 1.00 0.00 N ATOM 102 CA ALA A 9 -17.533 -4.564 -9.069 1.00 0.00 C ATOM 103 C ALA A 9 -16.366 -5.037 -9.928 1.00 0.00 C ATOM 104 O ALA A 9 -16.539 -5.370 -11.100 1.00 0.00 O ATOM 105 CB ALA A 9 -18.537 -5.689 -8.871 1.00 0.00 C ATOM 0 H ALA A 9 -19.150 -3.560 -9.947 1.00 0.00 H new ATOM 0 HA ALA A 9 -17.141 -4.271 -8.095 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -18.037 -6.548 -8.424 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -19.337 -5.351 -8.212 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -18.957 -5.975 -9.835 1.00 0.00 H new ATOM 111 N LEU A 10 -15.174 -5.063 -9.338 1.00 0.00 N ATOM 112 CA LEU A 10 -13.977 -5.492 -10.050 1.00 0.00 C ATOM 113 C LEU A 10 -12.755 -5.471 -9.131 1.00 0.00 C ATOM 114 O LEU A 10 -12.138 -6.509 -8.885 1.00 0.00 O ATOM 115 CB LEU A 10 -13.733 -4.595 -11.268 1.00 0.00 C ATOM 116 CG LEU A 10 -13.817 -5.304 -12.620 1.00 0.00 C ATOM 117 CD1 LEU A 10 -13.600 -4.315 -13.755 1.00 0.00 C ATOM 118 CD2 LEU A 10 -12.799 -6.433 -12.693 1.00 0.00 C ATOM 0 H LEU A 10 -15.013 -4.792 -8.368 1.00 0.00 H new ATOM 0 HA LEU A 10 -14.134 -6.516 -10.388 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -14.461 -3.784 -11.254 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -12.747 -4.140 -11.174 1.00 0.00 H new ATOM 0 HG LEU A 10 -14.814 -5.732 -12.724 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -13.663 -4.837 -14.710 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -14.366 -3.540 -13.714 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -12.615 -3.858 -13.656 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -12.872 -6.927 -13.662 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -11.795 -6.027 -12.568 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -12.999 -7.155 -11.901 1.00 0.00 H new ATOM 130 N PRO A 11 -12.385 -4.286 -8.610 1.00 0.00 N ATOM 131 CA PRO A 11 -11.227 -4.142 -7.718 1.00 0.00 C ATOM 132 C PRO A 11 -11.339 -5.012 -6.471 1.00 0.00 C ATOM 133 O PRO A 11 -12.348 -4.982 -5.767 1.00 0.00 O ATOM 134 CB PRO A 11 -11.240 -2.654 -7.335 1.00 0.00 C ATOM 135 CG PRO A 11 -12.606 -2.171 -7.679 1.00 0.00 C ATOM 136 CD PRO A 11 -13.054 -2.998 -8.849 1.00 0.00 C ATOM 0 HA PRO A 11 -10.305 -4.460 -8.205 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.031 -2.519 -6.274 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.478 -2.100 -7.883 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -13.286 -2.289 -6.835 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.593 -1.111 -7.932 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -14.138 -3.104 -8.878 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -12.752 -2.555 -9.798 1.00 0.00 H new ATOM 144 N ARG A 12 -10.291 -5.785 -6.204 1.00 0.00 N ATOM 145 CA ARG A 12 -10.261 -6.663 -5.039 1.00 0.00 C ATOM 146 C ARG A 12 -8.956 -6.492 -4.270 1.00 0.00 C ATOM 147 O ARG A 12 -7.890 -6.340 -4.866 1.00 0.00 O ATOM 148 CB ARG A 12 -10.426 -8.123 -5.466 1.00 0.00 C ATOM 149 CG ARG A 12 -9.367 -8.593 -6.449 1.00 0.00 C ATOM 150 CD ARG A 12 -9.870 -8.531 -7.883 1.00 0.00 C ATOM 151 NE ARG A 12 -8.874 -9.015 -8.835 1.00 0.00 N ATOM 152 CZ ARG A 12 -7.833 -8.296 -9.248 1.00 0.00 C ATOM 153 NH1 ARG A 12 -7.650 -7.061 -8.796 1.00 0.00 N ATOM 154 NH2 ARG A 12 -6.972 -8.813 -10.115 1.00 0.00 N ATOM 0 H ARG A 12 -9.450 -5.821 -6.780 1.00 0.00 H new ATOM 0 HA ARG A 12 -11.090 -6.389 -4.386 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -10.395 -8.758 -4.580 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -11.410 -8.252 -5.916 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.475 -7.974 -6.348 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.074 -9.615 -6.209 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.778 -9.127 -7.974 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.137 -7.503 -8.129 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.983 -9.959 -9.205 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.309 -6.659 -8.129 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.851 -6.514 -9.116 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.108 -9.761 -10.465 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.174 -8.262 -10.432 1.00 0.00 H new ATOM 168 N VAL A 13 -9.048 -6.514 -2.946 1.00 0.00 N ATOM 169 CA VAL A 13 -7.873 -6.358 -2.097 1.00 0.00 C ATOM 170 C VAL A 13 -7.371 -7.710 -1.597 1.00 0.00 C ATOM 171 O VAL A 13 -6.875 -7.823 -0.476 1.00 0.00 O ATOM 172 CB VAL A 13 -8.169 -5.443 -0.891 1.00 0.00 C ATOM 173 CG1 VAL A 13 -9.210 -6.072 0.023 1.00 0.00 C ATOM 174 CG2 VAL A 13 -6.891 -5.137 -0.124 1.00 0.00 C ATOM 0 H VAL A 13 -9.923 -6.638 -2.437 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.098 -5.895 -2.708 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.574 -4.504 -1.268 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.402 -5.409 0.866 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.134 -6.230 -0.533 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.840 -7.029 0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.121 -4.490 0.723 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.452 -6.067 0.238 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.183 -4.634 -0.783 1.00 0.00 H new ATOM 184 N THR A 14 -7.502 -8.734 -2.435 1.00 0.00 N ATOM 185 CA THR A 14 -7.060 -10.076 -2.073 1.00 0.00 C ATOM 186 C THR A 14 -6.513 -10.820 -3.285 1.00 0.00 C ATOM 187 O THR A 14 -6.847 -10.505 -4.427 1.00 0.00 O ATOM 188 CB THR A 14 -8.213 -10.870 -1.461 1.00 0.00 C ATOM 189 OG1 THR A 14 -9.419 -10.624 -2.160 1.00 0.00 O ATOM 190 CG2 THR A 14 -8.453 -10.549 -0.001 1.00 0.00 C ATOM 0 H THR A 14 -7.910 -8.660 -3.367 1.00 0.00 H new ATOM 0 HA THR A 14 -6.261 -9.976 -1.338 1.00 0.00 H new ATOM 0 HB THR A 14 -7.917 -11.916 -1.542 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.144 -11.143 -1.754 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.285 -11.147 0.371 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.556 -10.778 0.574 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.691 -9.491 0.104 1.00 0.00 H new ATOM 198 N CYS A 15 -5.669 -11.811 -3.020 1.00 0.00 N ATOM 199 CA CYS A 15 -5.064 -12.613 -4.074 1.00 0.00 C ATOM 200 C CYS A 15 -6.121 -13.437 -4.811 1.00 0.00 C ATOM 201 O CYS A 15 -6.994 -14.039 -4.187 1.00 0.00 O ATOM 202 CB CYS A 15 -4.008 -13.537 -3.471 1.00 0.00 C ATOM 203 SG CYS A 15 -3.106 -14.527 -4.684 1.00 0.00 S ATOM 0 H CYS A 15 -5.388 -12.079 -2.077 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.595 -11.943 -4.794 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.295 -12.935 -2.908 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.492 -14.207 -2.760 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.939 -14.842 -4.206 1.00 0.00 H new ATOM 209 N PRO A 16 -6.058 -13.479 -6.156 1.00 0.00 N ATOM 210 CA PRO A 16 -7.016 -14.241 -6.964 1.00 0.00 C ATOM 211 C PRO A 16 -6.886 -15.739 -6.730 1.00 0.00 C ATOM 212 O PRO A 16 -7.854 -16.488 -6.862 1.00 0.00 O ATOM 213 CB PRO A 16 -6.636 -13.885 -8.405 1.00 0.00 C ATOM 214 CG PRO A 16 -5.208 -13.469 -8.327 1.00 0.00 C ATOM 215 CD PRO A 16 -5.051 -12.798 -6.991 1.00 0.00 C ATOM 0 HA PRO A 16 -8.049 -13.997 -6.717 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -6.764 -14.738 -9.071 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.262 -13.081 -8.793 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -4.544 -14.329 -8.413 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.954 -12.788 -9.139 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -4.044 -12.924 -6.592 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.237 -11.726 -7.054 1.00 0.00 H new ATOM 223 N ASN A 17 -5.679 -16.167 -6.375 1.00 0.00 N ATOM 224 CA ASN A 17 -5.413 -17.572 -6.113 1.00 0.00 C ATOM 225 C ASN A 17 -5.511 -17.865 -4.621 1.00 0.00 C ATOM 226 O ASN A 17 -5.655 -19.017 -4.211 1.00 0.00 O ATOM 227 CB ASN A 17 -4.029 -17.960 -6.641 1.00 0.00 C ATOM 228 CG ASN A 17 -4.106 -18.857 -7.862 1.00 0.00 C ATOM 229 OD1 ASN A 17 -4.744 -19.909 -7.836 1.00 0.00 O ATOM 230 ND2 ASN A 17 -3.454 -18.443 -8.943 1.00 0.00 N ATOM 0 H ASN A 17 -4.869 -15.557 -6.263 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.164 -18.168 -6.632 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -3.473 -17.057 -6.892 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.473 -18.469 -5.854 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.470 -19.004 -9.795 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -2.937 -17.564 -8.921 1.00 0.00 H new ATOM 237 N HIS A 18 -5.435 -16.814 -3.813 1.00 0.00 N ATOM 238 CA HIS A 18 -5.516 -16.956 -2.370 1.00 0.00 C ATOM 239 C HIS A 18 -6.509 -15.971 -1.772 1.00 0.00 C ATOM 240 O HIS A 18 -6.129 -14.883 -1.337 1.00 0.00 O ATOM 241 CB HIS A 18 -4.148 -16.735 -1.740 1.00 0.00 C ATOM 242 CG HIS A 18 -3.141 -17.761 -2.120 1.00 0.00 C ATOM 243 ND1 HIS A 18 -1.968 -17.462 -2.774 1.00 0.00 N ATOM 244 CD2 HIS A 18 -3.121 -19.091 -1.900 1.00 0.00 C ATOM 245 CE1 HIS A 18 -1.266 -18.567 -2.942 1.00 0.00 C ATOM 246 NE2 HIS A 18 -1.945 -19.574 -2.423 1.00 0.00 N ATOM 0 H HIS A 18 -5.317 -15.854 -4.136 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.859 -17.969 -2.158 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -3.779 -15.751 -2.031 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -4.254 -16.728 -0.655 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -1.685 -16.531 -3.081 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.887 -19.670 -1.405 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -0.301 -18.636 -3.422 1.00 0.00 H new ATOM 255 N PRO A 19 -7.796 -16.337 -1.727 1.00 0.00 N ATOM 256 CA PRO A 19 -8.827 -15.473 -1.157 1.00 0.00 C ATOM 257 C PRO A 19 -8.560 -15.190 0.316 1.00 0.00 C ATOM 258 O PRO A 19 -8.671 -14.051 0.772 1.00 0.00 O ATOM 259 CB PRO A 19 -10.121 -16.279 -1.328 1.00 0.00 C ATOM 260 CG PRO A 19 -9.679 -17.690 -1.522 1.00 0.00 C ATOM 261 CD PRO A 19 -8.343 -17.618 -2.204 1.00 0.00 C ATOM 0 HA PRO A 19 -8.866 -14.499 -1.644 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -10.763 -16.184 -0.452 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.695 -15.925 -2.184 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -9.601 -18.209 -0.567 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.397 -18.243 -2.128 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.704 -18.457 -1.929 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.442 -17.635 -3.289 1.00 0.00 H new ATOM 269 N ASP A 20 -8.219 -16.241 1.059 1.00 0.00 N ATOM 270 CA ASP A 20 -7.949 -16.122 2.487 1.00 0.00 C ATOM 271 C ASP A 20 -6.621 -15.419 2.773 1.00 0.00 C ATOM 272 O ASP A 20 -6.378 -15.000 3.904 1.00 0.00 O ATOM 273 CB ASP A 20 -7.948 -17.509 3.136 1.00 0.00 C ATOM 274 CG ASP A 20 -9.320 -17.911 3.641 1.00 0.00 C ATOM 275 OD1 ASP A 20 -10.323 -17.353 3.146 1.00 0.00 O ATOM 276 OD2 ASP A 20 -9.393 -18.785 4.531 1.00 0.00 O ATOM 0 H ASP A 20 -8.123 -17.188 0.692 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.743 -15.509 2.915 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.600 -18.246 2.412 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.241 -17.519 3.966 1.00 0.00 H new ATOM 281 N ALA A 21 -5.763 -15.277 1.761 1.00 0.00 N ATOM 282 CA ALA A 21 -4.481 -14.604 1.966 1.00 0.00 C ATOM 283 C ALA A 21 -4.516 -13.169 1.464 1.00 0.00 C ATOM 284 O ALA A 21 -4.474 -12.915 0.261 1.00 0.00 O ATOM 285 CB ALA A 21 -3.345 -15.359 1.297 1.00 0.00 C ATOM 0 H ALA A 21 -5.927 -15.611 0.811 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.302 -14.588 3.041 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.407 -14.832 1.469 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.279 -16.363 1.716 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.533 -15.425 0.225 1.00 0.00 H new ATOM 291 N ILE A 22 -4.568 -12.234 2.402 1.00 0.00 N ATOM 292 CA ILE A 22 -4.580 -10.816 2.070 1.00 0.00 C ATOM 293 C ILE A 22 -3.157 -10.341 1.811 1.00 0.00 C ATOM 294 O ILE A 22 -2.270 -10.566 2.635 1.00 0.00 O ATOM 295 CB ILE A 22 -5.199 -9.964 3.198 1.00 0.00 C ATOM 296 CG1 ILE A 22 -6.328 -10.723 3.901 1.00 0.00 C ATOM 297 CG2 ILE A 22 -5.714 -8.647 2.639 1.00 0.00 C ATOM 298 CD1 ILE A 22 -7.393 -11.238 2.957 1.00 0.00 C ATOM 0 H ILE A 22 -4.603 -12.432 3.402 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.193 -10.692 1.177 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.422 -9.755 3.934 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.903 -11.564 4.449 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.793 -10.066 4.636 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.148 -8.055 3.444 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -4.889 -8.096 2.188 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.474 -8.845 1.884 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.159 -11.765 3.526 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.846 -10.400 2.427 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.942 -11.921 2.237 1.00 0.00 H new ATOM 310 N LEU A 23 -2.927 -9.688 0.675 1.00 0.00 N ATOM 311 CA LEU A 23 -1.599 -9.201 0.345 1.00 0.00 C ATOM 312 C LEU A 23 -1.189 -8.088 1.297 1.00 0.00 C ATOM 313 O LEU A 23 -1.982 -7.214 1.628 1.00 0.00 O ATOM 314 CB LEU A 23 -1.562 -8.694 -1.097 1.00 0.00 C ATOM 315 CG LEU A 23 -1.244 -9.753 -2.155 1.00 0.00 C ATOM 316 CD1 LEU A 23 -2.518 -10.437 -2.626 1.00 0.00 C ATOM 317 CD2 LEU A 23 -0.506 -9.120 -3.316 1.00 0.00 C ATOM 0 H LEU A 23 -3.640 -9.487 -0.026 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.895 -10.027 0.447 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.528 -8.248 -1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.818 -7.900 -1.167 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.601 -10.513 -1.712 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.272 -11.187 -3.378 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.006 -10.919 -1.779 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.190 -9.696 -3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.284 -9.881 -4.064 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.127 -8.343 -3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.425 -8.680 -2.959 1.00 0.00 H new ATOM 329 N VAL A 24 0.049 -8.122 1.742 1.00 0.00 N ATOM 330 CA VAL A 24 0.534 -7.115 2.662 1.00 0.00 C ATOM 331 C VAL A 24 1.095 -5.909 1.923 1.00 0.00 C ATOM 332 O VAL A 24 1.721 -6.037 0.877 1.00 0.00 O ATOM 333 CB VAL A 24 1.568 -7.713 3.618 1.00 0.00 C ATOM 334 CG1 VAL A 24 2.010 -6.687 4.651 1.00 0.00 C ATOM 335 CG2 VAL A 24 0.964 -8.944 4.282 1.00 0.00 C ATOM 0 H VAL A 24 0.735 -8.832 1.484 1.00 0.00 H new ATOM 0 HA VAL A 24 -0.312 -6.765 3.254 1.00 0.00 H new ATOM 0 HB VAL A 24 2.458 -8.006 3.060 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.745 -7.136 5.319 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.455 -5.830 4.145 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.147 -6.358 5.230 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.690 -9.381 4.967 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.070 -8.657 4.836 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.699 -9.676 3.519 1.00 0.00 H new ATOM 345 N GLU A 25 0.840 -4.740 2.490 1.00 0.00 N ATOM 346 CA GLU A 25 1.273 -3.489 1.916 1.00 0.00 C ATOM 347 C GLU A 25 2.737 -3.267 2.202 1.00 0.00 C ATOM 348 O GLU A 25 3.172 -3.227 3.353 1.00 0.00 O ATOM 349 CB GLU A 25 0.436 -2.326 2.454 1.00 0.00 C ATOM 350 CG GLU A 25 -0.242 -1.514 1.365 1.00 0.00 C ATOM 351 CD GLU A 25 -0.343 -0.043 1.713 1.00 0.00 C ATOM 352 OE1 GLU A 25 -0.811 0.273 2.829 1.00 0.00 O ATOM 353 OE2 GLU A 25 0.045 0.796 0.873 1.00 0.00 O ATOM 0 H GLU A 25 0.325 -4.639 3.364 1.00 0.00 H new ATOM 0 HA GLU A 25 1.131 -3.535 0.836 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.324 -2.718 3.130 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.077 -1.668 3.041 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.314 -1.626 0.434 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.242 -1.912 1.189 1.00 0.00 H new ATOM 360 N ASP A 26 3.483 -3.148 1.133 1.00 0.00 N ATOM 361 CA ASP A 26 4.907 -2.955 1.206 1.00 0.00 C ATOM 362 C ASP A 26 5.574 -4.070 2.003 1.00 0.00 C ATOM 363 O ASP A 26 5.535 -4.082 3.233 1.00 0.00 O ATOM 364 CB ASP A 26 5.238 -1.587 1.798 1.00 0.00 C ATOM 365 CG ASP A 26 6.483 -0.976 1.182 1.00 0.00 C ATOM 366 OD1 ASP A 26 7.574 -1.565 1.338 1.00 0.00 O ATOM 367 OD2 ASP A 26 6.366 0.093 0.545 1.00 0.00 O ATOM 0 H ASP A 26 3.116 -3.183 0.182 1.00 0.00 H new ATOM 0 HA ASP A 26 5.303 -2.991 0.191 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.394 -0.915 1.647 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.379 -1.684 2.874 1.00 0.00 H new ATOM 372 N TYR A 27 6.187 -5.008 1.286 1.00 0.00 N ATOM 373 CA TYR A 27 6.866 -6.131 1.916 1.00 0.00 C ATOM 374 C TYR A 27 7.826 -6.803 0.942 1.00 0.00 C ATOM 375 O TYR A 27 7.735 -6.614 -0.269 1.00 0.00 O ATOM 376 CB TYR A 27 5.851 -7.146 2.434 1.00 0.00 C ATOM 377 CG TYR A 27 6.137 -7.617 3.843 1.00 0.00 C ATOM 378 CD1 TYR A 27 5.640 -6.927 4.941 1.00 0.00 C ATOM 379 CD2 TYR A 27 6.907 -8.752 4.076 1.00 0.00 C ATOM 380 CE1 TYR A 27 5.901 -7.351 6.230 1.00 0.00 C ATOM 381 CE2 TYR A 27 7.174 -9.181 5.362 1.00 0.00 C ATOM 382 CZ TYR A 27 6.668 -8.478 6.435 1.00 0.00 C ATOM 383 OH TYR A 27 6.932 -8.902 7.717 1.00 0.00 O ATOM 0 H TYR A 27 6.226 -5.010 0.267 1.00 0.00 H new ATOM 0 HA TYR A 27 7.442 -5.746 2.758 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.856 -6.702 2.402 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.837 -8.008 1.767 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.039 -6.043 4.785 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.303 -9.307 3.238 1.00 0.00 H new ATOM 0 HE1 TYR A 27 5.506 -6.802 7.072 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.776 -10.063 5.526 1.00 0.00 H new ATOM 0 HH TYR A 27 7.485 -9.711 7.687 1.00 0.00 H new ATOM 393 N ARG A 28 8.759 -7.581 1.494 1.00 0.00 N ATOM 394 CA ARG A 28 9.752 -8.264 0.681 1.00 0.00 C ATOM 395 C ARG A 28 10.425 -7.251 -0.230 1.00 0.00 C ATOM 396 O ARG A 28 10.666 -7.513 -1.408 1.00 0.00 O ATOM 397 CB ARG A 28 9.095 -9.373 -0.148 1.00 0.00 C ATOM 398 CG ARG A 28 10.086 -10.236 -0.912 1.00 0.00 C ATOM 399 CD ARG A 28 10.488 -11.468 -0.115 1.00 0.00 C ATOM 400 NE ARG A 28 11.939 -11.634 -0.059 1.00 0.00 N ATOM 401 CZ ARG A 28 12.547 -12.785 0.225 1.00 0.00 C ATOM 402 NH1 ARG A 28 11.836 -13.876 0.480 1.00 0.00 N ATOM 403 NH2 ARG A 28 13.871 -12.842 0.254 1.00 0.00 N ATOM 0 H ARG A 28 8.843 -7.750 2.496 1.00 0.00 H new ATOM 0 HA ARG A 28 10.498 -8.724 1.329 1.00 0.00 H new ATOM 0 HB2 ARG A 28 8.508 -10.009 0.514 1.00 0.00 H new ATOM 0 HB3 ARG A 28 8.399 -8.922 -0.855 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.646 -10.543 -1.860 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.974 -9.649 -1.148 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.093 -11.390 0.898 1.00 0.00 H new ATOM 0 HD3 ARG A 28 10.039 -12.353 -0.565 1.00 0.00 H new ATOM 0 HE ARG A 28 12.522 -10.819 -0.249 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.817 -13.837 0.459 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.309 -14.754 0.697 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.422 -12.006 0.059 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.339 -13.722 0.471 1.00 0.00 H new ATOM 417 N ALA A 29 10.690 -6.069 0.324 1.00 0.00 N ATOM 418 CA ALA A 29 11.296 -4.995 -0.440 1.00 0.00 C ATOM 419 C ALA A 29 10.445 -4.710 -1.668 1.00 0.00 C ATOM 420 O ALA A 29 10.955 -4.345 -2.726 1.00 0.00 O ATOM 421 CB ALA A 29 12.718 -5.362 -0.840 1.00 0.00 C ATOM 0 H ALA A 29 10.493 -5.837 1.298 1.00 0.00 H new ATOM 0 HA ALA A 29 11.345 -4.096 0.175 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.157 -4.545 -1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.314 -5.539 0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.703 -6.265 -1.450 1.00 0.00 H new ATOM 427 N GLY A 30 9.135 -4.911 -1.519 1.00 0.00 N ATOM 428 CA GLY A 30 8.230 -4.702 -2.626 1.00 0.00 C ATOM 429 C GLY A 30 6.941 -3.992 -2.252 1.00 0.00 C ATOM 430 O GLY A 30 6.858 -3.317 -1.227 1.00 0.00 O ATOM 0 H GLY A 30 8.691 -5.214 -0.652 1.00 0.00 H new ATOM 0 HA2 GLY A 30 8.741 -4.122 -3.394 1.00 0.00 H new ATOM 0 HA3 GLY A 30 7.984 -5.668 -3.067 1.00 0.00 H new ATOM 434 N ASP A 31 5.946 -4.146 -3.118 1.00 0.00 N ATOM 435 CA ASP A 31 4.632 -3.532 -2.949 1.00 0.00 C ATOM 436 C ASP A 31 3.703 -4.378 -2.099 1.00 0.00 C ATOM 437 O ASP A 31 3.776 -4.338 -0.878 1.00 0.00 O ATOM 438 CB ASP A 31 4.049 -3.250 -4.315 1.00 0.00 C ATOM 439 CG ASP A 31 4.467 -1.900 -4.853 1.00 0.00 C ATOM 440 OD1 ASP A 31 5.527 -1.826 -5.510 1.00 0.00 O ATOM 441 OD2 ASP A 31 3.737 -0.916 -4.622 1.00 0.00 O ATOM 0 H ASP A 31 6.029 -4.706 -3.966 1.00 0.00 H new ATOM 0 HA ASP A 31 4.748 -2.594 -2.405 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.365 -4.028 -5.010 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.961 -3.295 -4.259 1.00 0.00 H new ATOM 446 N MET A 32 2.823 -5.130 -2.726 1.00 0.00 N ATOM 447 CA MET A 32 1.881 -5.945 -1.992 1.00 0.00 C ATOM 448 C MET A 32 2.214 -7.423 -2.111 1.00 0.00 C ATOM 449 O MET A 32 2.171 -7.995 -3.192 1.00 0.00 O ATOM 450 CB MET A 32 0.504 -5.651 -2.523 1.00 0.00 C ATOM 451 CG MET A 32 -0.049 -4.318 -2.044 1.00 0.00 C ATOM 452 SD MET A 32 -1.672 -4.473 -1.273 1.00 0.00 S ATOM 453 CE MET A 32 -2.655 -5.038 -2.660 1.00 0.00 C ATOM 0 H MET A 32 2.741 -5.193 -3.741 1.00 0.00 H new ATOM 0 HA MET A 32 1.931 -5.704 -0.930 1.00 0.00 H new ATOM 0 HB2 MET A 32 0.533 -5.655 -3.613 1.00 0.00 H new ATOM 0 HB3 MET A 32 -0.174 -6.449 -2.219 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.647 -3.876 -1.331 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.117 -3.633 -2.889 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.710 -5.027 -2.387 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.494 -4.378 -3.513 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.360 -6.053 -2.926 1.00 0.00 H new ATOM 463 N ILE A 33 2.602 -8.023 -1.011 1.00 0.00 N ATOM 464 CA ILE A 33 3.020 -9.411 -1.002 1.00 0.00 C ATOM 465 C ILE A 33 1.945 -10.350 -0.447 1.00 0.00 C ATOM 466 O ILE A 33 1.471 -10.174 0.673 1.00 0.00 O ATOM 467 CB ILE A 33 4.294 -9.470 -0.135 1.00 0.00 C ATOM 468 CG1 ILE A 33 5.233 -10.592 -0.555 1.00 0.00 C ATOM 469 CG2 ILE A 33 3.923 -9.588 1.326 1.00 0.00 C ATOM 470 CD1 ILE A 33 4.661 -11.959 -0.326 1.00 0.00 C ATOM 0 H ILE A 33 2.638 -7.568 -0.099 1.00 0.00 H new ATOM 0 HA ILE A 33 3.202 -9.751 -2.022 1.00 0.00 H new ATOM 0 HB ILE A 33 4.839 -8.539 -0.289 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.474 -10.479 -1.612 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.168 -10.500 -0.003 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.830 -9.629 1.929 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.329 -8.723 1.622 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.342 -10.497 1.482 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.380 -12.713 -0.646 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.446 -12.090 0.734 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.741 -12.069 -0.899 1.00 0.00 H new ATOM 482 N CYS A 34 1.592 -11.381 -1.213 1.00 0.00 N ATOM 483 CA CYS A 34 0.619 -12.356 -0.744 1.00 0.00 C ATOM 484 C CYS A 34 1.375 -13.464 -0.024 1.00 0.00 C ATOM 485 O CYS A 34 1.921 -14.343 -0.671 1.00 0.00 O ATOM 486 CB CYS A 34 -0.175 -12.953 -1.906 1.00 0.00 C ATOM 487 SG CYS A 34 -1.363 -14.224 -1.413 1.00 0.00 S ATOM 0 H CYS A 34 1.961 -11.559 -2.147 1.00 0.00 H new ATOM 0 HA CYS A 34 -0.089 -11.865 -0.076 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.708 -12.151 -2.417 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.522 -13.382 -2.626 1.00 0.00 H new ATOM 0 HG CYS A 34 -2.436 -13.657 -0.946 1.00 0.00 H new ATOM 493 N PRO A 35 1.417 -13.445 1.320 1.00 0.00 N ATOM 494 CA PRO A 35 2.139 -14.442 2.122 1.00 0.00 C ATOM 495 C PRO A 35 2.011 -15.869 1.603 1.00 0.00 C ATOM 496 O PRO A 35 2.813 -16.736 1.950 1.00 0.00 O ATOM 497 CB PRO A 35 1.505 -14.316 3.517 1.00 0.00 C ATOM 498 CG PRO A 35 0.428 -13.284 3.394 1.00 0.00 C ATOM 499 CD PRO A 35 0.756 -12.465 2.178 1.00 0.00 C ATOM 0 HA PRO A 35 3.212 -14.251 2.099 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.094 -15.271 3.845 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.248 -14.017 4.257 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.550 -13.755 3.292 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.389 -12.657 4.285 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.138 -12.052 1.711 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.409 -11.625 2.416 1.00 0.00 H new ATOM 507 N GLU A 36 0.986 -16.121 0.818 1.00 0.00 N ATOM 508 CA GLU A 36 0.732 -17.451 0.299 1.00 0.00 C ATOM 509 C GLU A 36 1.540 -17.713 -0.964 1.00 0.00 C ATOM 510 O GLU A 36 2.455 -18.534 -0.964 1.00 0.00 O ATOM 511 CB GLU A 36 -0.761 -17.606 0.036 1.00 0.00 C ATOM 512 CG GLU A 36 -1.545 -18.075 1.251 1.00 0.00 C ATOM 513 CD GLU A 36 -1.011 -19.371 1.826 1.00 0.00 C ATOM 514 OE1 GLU A 36 -1.116 -20.412 1.142 1.00 0.00 O ATOM 515 OE2 GLU A 36 -0.488 -19.348 2.959 1.00 0.00 O ATOM 0 H GLU A 36 0.309 -15.417 0.522 1.00 0.00 H new ATOM 0 HA GLU A 36 1.046 -18.188 1.038 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.164 -16.650 -0.300 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.907 -18.317 -0.777 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.515 -17.302 2.019 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -2.591 -18.209 0.974 1.00 0.00 H new ATOM 522 N CYS A 37 1.243 -16.976 -2.020 1.00 0.00 N ATOM 523 CA CYS A 37 1.993 -17.115 -3.263 1.00 0.00 C ATOM 524 C CYS A 37 3.158 -16.152 -3.210 1.00 0.00 C ATOM 525 O CYS A 37 4.134 -16.271 -3.946 1.00 0.00 O ATOM 526 CB CYS A 37 1.121 -16.822 -4.490 1.00 0.00 C ATOM 527 SG CYS A 37 0.116 -15.327 -4.354 1.00 0.00 S ATOM 0 H CYS A 37 0.497 -16.281 -2.046 1.00 0.00 H new ATOM 0 HA CYS A 37 2.341 -18.143 -3.360 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.765 -16.734 -5.365 1.00 0.00 H new ATOM 0 HB3 CYS A 37 0.462 -17.673 -4.664 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.311 -15.201 -3.133 1.00 0.00 H new ATOM 533 N GLY A 38 3.012 -15.191 -2.311 1.00 0.00 N ATOM 534 CA GLY A 38 3.999 -14.174 -2.100 1.00 0.00 C ATOM 535 C GLY A 38 4.120 -13.248 -3.283 1.00 0.00 C ATOM 536 O GLY A 38 5.178 -12.676 -3.548 1.00 0.00 O ATOM 0 H GLY A 38 2.194 -15.105 -1.708 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.740 -13.596 -1.213 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.964 -14.641 -1.905 1.00 0.00 H new ATOM 540 N LEU A 39 3.014 -13.114 -3.992 1.00 0.00 N ATOM 541 CA LEU A 39 2.935 -12.270 -5.166 1.00 0.00 C ATOM 542 C LEU A 39 3.078 -10.811 -4.783 1.00 0.00 C ATOM 543 O LEU A 39 2.542 -10.378 -3.764 1.00 0.00 O ATOM 544 CB LEU A 39 1.587 -12.467 -5.852 1.00 0.00 C ATOM 545 CG LEU A 39 0.461 -11.647 -5.226 1.00 0.00 C ATOM 546 CD1 LEU A 39 0.319 -10.316 -5.940 1.00 0.00 C ATOM 547 CD2 LEU A 39 -0.847 -12.409 -5.227 1.00 0.00 C ATOM 0 H LEU A 39 2.141 -13.591 -3.767 1.00 0.00 H new ATOM 0 HA LEU A 39 3.744 -12.546 -5.842 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.681 -12.198 -6.904 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.320 -13.523 -5.816 1.00 0.00 H new ATOM 0 HG LEU A 39 0.721 -11.454 -4.185 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.487 -9.742 -5.483 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.252 -9.758 -5.859 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.090 -10.490 -6.991 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.626 -11.795 -4.774 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.126 -12.651 -6.252 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.732 -13.330 -4.655 1.00 0.00 H new ATOM 559 N VAL A 40 3.791 -10.061 -5.602 1.00 0.00 N ATOM 560 CA VAL A 40 3.990 -8.652 -5.352 1.00 0.00 C ATOM 561 C VAL A 40 3.236 -7.820 -6.371 1.00 0.00 C ATOM 562 O VAL A 40 3.533 -7.871 -7.563 1.00 0.00 O ATOM 563 CB VAL A 40 5.481 -8.273 -5.400 1.00 0.00 C ATOM 564 CG1 VAL A 40 5.679 -6.820 -4.983 1.00 0.00 C ATOM 565 CG2 VAL A 40 6.294 -9.210 -4.521 1.00 0.00 C ATOM 0 H VAL A 40 4.242 -10.409 -6.448 1.00 0.00 H new ATOM 0 HA VAL A 40 3.609 -8.446 -4.352 1.00 0.00 H new ATOM 0 HB VAL A 40 5.834 -8.378 -6.426 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.739 -6.571 -5.023 1.00 0.00 H new ATOM 0 HG12 VAL A 40 5.127 -6.169 -5.661 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.312 -6.680 -3.966 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.346 -8.929 -4.566 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.943 -9.139 -3.492 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.177 -10.234 -4.875 1.00 0.00 H new ATOM 575 N VAL A 41 2.297 -7.010 -5.902 1.00 0.00 N ATOM 576 CA VAL A 41 1.562 -6.124 -6.786 1.00 0.00 C ATOM 577 C VAL A 41 2.062 -4.717 -6.514 1.00 0.00 C ATOM 578 O VAL A 41 3.076 -4.574 -5.876 1.00 0.00 O ATOM 579 CB VAL A 41 0.031 -6.172 -6.579 1.00 0.00 C ATOM 580 CG1 VAL A 41 -0.699 -5.819 -7.866 1.00 0.00 C ATOM 581 CG2 VAL A 41 -0.415 -7.523 -6.078 1.00 0.00 C ATOM 0 H VAL A 41 2.029 -6.950 -4.920 1.00 0.00 H new ATOM 0 HA VAL A 41 1.734 -6.442 -7.814 1.00 0.00 H new ATOM 0 HB VAL A 41 -0.221 -5.431 -5.820 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.775 -5.859 -7.697 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.418 -4.813 -8.179 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.427 -6.531 -8.645 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.497 -7.522 -5.943 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.140 -8.289 -6.803 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.069 -7.736 -5.125 1.00 0.00 H new ATOM 591 N GLY A 42 1.352 -3.696 -6.982 1.00 0.00 N ATOM 592 CA GLY A 42 1.780 -2.345 -6.742 1.00 0.00 C ATOM 593 C GLY A 42 1.285 -1.855 -5.414 1.00 0.00 C ATOM 594 O GLY A 42 0.927 -2.652 -4.547 1.00 0.00 O ATOM 0 H GLY A 42 0.491 -3.787 -7.521 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.868 -2.294 -6.770 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.409 -1.695 -7.535 1.00 0.00 H new ATOM 598 N ASP A 43 1.253 -0.553 -5.246 1.00 0.00 N ATOM 599 CA ASP A 43 0.785 0.015 -4.004 1.00 0.00 C ATOM 600 C ASP A 43 0.572 1.521 -4.135 1.00 0.00 C ATOM 601 O ASP A 43 -0.388 2.071 -3.593 1.00 0.00 O ATOM 602 CB ASP A 43 1.784 -0.271 -2.880 1.00 0.00 C ATOM 603 CG ASP A 43 1.151 -0.175 -1.506 1.00 0.00 C ATOM 604 OD1 ASP A 43 -0.095 -0.150 -1.425 1.00 0.00 O ATOM 605 OD2 ASP A 43 1.902 -0.126 -0.509 1.00 0.00 O ATOM 0 H ASP A 43 1.543 0.128 -5.948 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.171 -0.449 -3.762 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.203 -1.268 -3.015 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.612 0.434 -2.946 1.00 0.00 H new ATOM 610 N ARG A 44 1.478 2.183 -4.851 1.00 0.00 N ATOM 611 CA ARG A 44 1.401 3.627 -5.050 1.00 0.00 C ATOM 612 C ARG A 44 1.775 4.364 -3.764 1.00 0.00 C ATOM 613 O ARG A 44 2.921 4.781 -3.598 1.00 0.00 O ATOM 614 CB ARG A 44 0.000 4.037 -5.523 1.00 0.00 C ATOM 615 CG ARG A 44 -0.005 4.778 -6.852 1.00 0.00 C ATOM 616 CD ARG A 44 0.783 4.028 -7.915 1.00 0.00 C ATOM 617 NE ARG A 44 2.123 4.583 -8.093 1.00 0.00 N ATOM 618 CZ ARG A 44 3.092 3.978 -8.774 1.00 0.00 C ATOM 619 NH1 ARG A 44 2.879 2.800 -9.346 1.00 0.00 N ATOM 620 NH2 ARG A 44 4.281 4.556 -8.885 1.00 0.00 N ATOM 0 H ARG A 44 2.277 1.740 -5.304 1.00 0.00 H new ATOM 0 HA ARG A 44 2.114 3.905 -5.826 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.619 3.144 -5.613 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.460 4.669 -4.763 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.033 4.915 -7.189 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.421 5.772 -6.716 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.859 2.977 -7.636 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.245 4.068 -8.862 1.00 0.00 H new ATOM 0 HE ARG A 44 2.327 5.488 -7.670 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.966 2.351 -9.265 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.628 2.343 -9.866 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.450 5.462 -8.449 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.026 4.094 -9.407 1.00 0.00 H new ATOM 634 N VAL A 45 0.806 4.505 -2.856 1.00 0.00 N ATOM 635 CA VAL A 45 1.027 5.178 -1.575 1.00 0.00 C ATOM 636 C VAL A 45 1.951 6.398 -1.722 1.00 0.00 C ATOM 637 O VAL A 45 2.127 6.919 -2.822 1.00 0.00 O ATOM 638 CB VAL A 45 1.591 4.182 -0.528 1.00 0.00 C ATOM 639 CG1 VAL A 45 3.115 4.129 -0.554 1.00 0.00 C ATOM 640 CG2 VAL A 45 1.079 4.521 0.865 1.00 0.00 C ATOM 0 H VAL A 45 -0.145 4.159 -2.986 1.00 0.00 H new ATOM 0 HA VAL A 45 0.062 5.544 -1.224 1.00 0.00 H new ATOM 0 HB VAL A 45 1.232 3.188 -0.795 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.467 3.419 0.195 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.451 3.812 -1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.517 5.118 -0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.486 3.811 1.585 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.393 5.530 1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.010 4.465 0.876 1.00 0.00 H new ATOM 650 N ILE A 46 2.535 6.847 -0.613 1.00 0.00 N ATOM 651 CA ILE A 46 3.432 7.996 -0.635 1.00 0.00 C ATOM 652 C ILE A 46 4.508 7.863 0.441 1.00 0.00 C ATOM 653 O ILE A 46 4.328 7.145 1.424 1.00 0.00 O ATOM 654 CB ILE A 46 2.661 9.317 -0.435 1.00 0.00 C ATOM 655 CG1 ILE A 46 3.577 10.515 -0.698 1.00 0.00 C ATOM 656 CG2 ILE A 46 2.070 9.390 0.968 1.00 0.00 C ATOM 657 CD1 ILE A 46 4.181 10.520 -2.087 1.00 0.00 C ATOM 0 H ILE A 46 2.402 6.432 0.309 1.00 0.00 H new ATOM 0 HA ILE A 46 3.906 8.018 -1.616 1.00 0.00 H new ATOM 0 HB ILE A 46 1.840 9.347 -1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.010 11.435 -0.554 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.380 10.517 0.039 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.531 10.330 1.087 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.384 8.556 1.118 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.872 9.336 1.704 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.818 11.397 -2.203 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.776 9.618 -2.228 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.384 10.550 -2.830 1.00 0.00 H new ATOM 669 N ASP A 47 5.627 8.557 0.248 1.00 0.00 N ATOM 670 CA ASP A 47 6.734 8.512 1.203 1.00 0.00 C ATOM 671 C ASP A 47 6.237 8.708 2.633 1.00 0.00 C ATOM 672 O ASP A 47 6.066 9.836 3.093 1.00 0.00 O ATOM 673 CB ASP A 47 7.772 9.582 0.862 1.00 0.00 C ATOM 674 CG ASP A 47 9.154 9.229 1.379 1.00 0.00 C ATOM 675 OD1 ASP A 47 9.823 8.381 0.752 1.00 0.00 O ATOM 676 OD2 ASP A 47 9.567 9.801 2.410 1.00 0.00 O ATOM 0 H ASP A 47 5.792 9.157 -0.560 1.00 0.00 H new ATOM 0 HA ASP A 47 7.197 7.528 1.133 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.814 9.713 -0.219 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.460 10.536 1.287 1.00 0.00 H new ATOM 681 N VAL A 48 6.008 7.599 3.330 1.00 0.00 N ATOM 682 CA VAL A 48 5.530 7.647 4.705 1.00 0.00 C ATOM 683 C VAL A 48 6.686 7.821 5.686 1.00 0.00 C ATOM 684 O VAL A 48 7.841 7.563 5.350 1.00 0.00 O ATOM 685 CB VAL A 48 4.748 6.373 5.074 1.00 0.00 C ATOM 686 CG1 VAL A 48 3.476 6.269 4.247 1.00 0.00 C ATOM 687 CG2 VAL A 48 5.616 5.139 4.887 1.00 0.00 C ATOM 0 H VAL A 48 6.146 6.657 2.964 1.00 0.00 H new ATOM 0 HA VAL A 48 4.864 8.507 4.776 1.00 0.00 H new ATOM 0 HB VAL A 48 4.467 6.434 6.125 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.937 5.363 4.522 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.846 7.138 4.438 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.732 6.232 3.188 1.00 0.00 H new ATOM 0 HG21 VAL A 48 5.045 4.249 5.153 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.931 5.070 3.846 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.495 5.212 5.528 1.00 0.00 H new ATOM 697 N GLY A 49 6.364 8.260 6.897 1.00 0.00 N ATOM 698 CA GLY A 49 7.385 8.462 7.909 1.00 0.00 C ATOM 699 C GLY A 49 8.234 9.688 7.639 1.00 0.00 C ATOM 700 O GLY A 49 9.452 9.588 7.498 1.00 0.00 O ATOM 0 H GLY A 49 5.414 8.480 7.197 1.00 0.00 H new ATOM 0 HA2 GLY A 49 6.910 8.560 8.885 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.027 7.582 7.954 1.00 0.00 H new ATOM 704 N SER A 50 7.589 10.848 7.568 1.00 0.00 N ATOM 705 CA SER A 50 8.293 12.099 7.315 1.00 0.00 C ATOM 706 C SER A 50 7.662 13.244 8.101 1.00 0.00 C ATOM 707 O SER A 50 6.684 13.848 7.660 1.00 0.00 O ATOM 708 CB SER A 50 8.278 12.422 5.818 1.00 0.00 C ATOM 709 OG SER A 50 9.534 12.922 5.392 1.00 0.00 O ATOM 0 H SER A 50 6.580 10.947 7.682 1.00 0.00 H new ATOM 0 HA SER A 50 9.326 11.981 7.644 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.029 11.525 5.252 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.501 13.157 5.609 1.00 0.00 H new ATOM 0 HG SER A 50 9.499 13.119 4.433 1.00 0.00 H new ATOM 715 N GLU A 51 8.229 13.536 9.267 1.00 0.00 N ATOM 716 CA GLU A 51 7.722 14.608 10.114 1.00 0.00 C ATOM 717 C GLU A 51 8.868 15.376 10.766 1.00 0.00 C ATOM 718 O GLU A 51 8.793 15.744 11.939 1.00 0.00 O ATOM 719 CB GLU A 51 6.798 14.038 11.192 1.00 0.00 C ATOM 720 CG GLU A 51 5.457 13.562 10.655 1.00 0.00 C ATOM 721 CD GLU A 51 4.643 12.816 11.695 1.00 0.00 C ATOM 722 OE1 GLU A 51 5.227 11.986 12.422 1.00 0.00 O ATOM 723 OE2 GLU A 51 3.422 13.064 11.782 1.00 0.00 O ATOM 0 H GLU A 51 9.039 13.045 9.646 1.00 0.00 H new ATOM 0 HA GLU A 51 7.158 15.298 9.486 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.299 13.205 11.685 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.626 14.801 11.952 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.887 14.420 10.300 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.624 12.913 9.796 1.00 0.00 H new ATOM 730 N TRP A 52 9.927 15.616 9.997 1.00 0.00 N ATOM 731 CA TRP A 52 11.097 16.343 10.490 1.00 0.00 C ATOM 732 C TRP A 52 11.871 15.517 11.516 1.00 0.00 C ATOM 733 O TRP A 52 13.046 15.210 11.315 1.00 0.00 O ATOM 734 CB TRP A 52 10.682 17.684 11.103 1.00 0.00 C ATOM 735 CG TRP A 52 9.899 18.549 10.162 1.00 0.00 C ATOM 736 CD1 TRP A 52 10.295 18.989 8.933 1.00 0.00 C ATOM 737 CD2 TRP A 52 8.585 19.078 10.374 1.00 0.00 C ATOM 738 NE1 TRP A 52 9.310 19.761 8.367 1.00 0.00 N ATOM 739 CE2 TRP A 52 8.249 19.830 9.232 1.00 0.00 C ATOM 740 CE3 TRP A 52 7.659 18.989 11.418 1.00 0.00 C ATOM 741 CZ2 TRP A 52 7.028 20.488 9.106 1.00 0.00 C ATOM 742 CZ3 TRP A 52 6.448 19.643 11.291 1.00 0.00 C ATOM 743 CH2 TRP A 52 6.142 20.384 10.144 1.00 0.00 C ATOM 0 H TRP A 52 10.000 15.316 9.025 1.00 0.00 H new ATOM 0 HA TRP A 52 11.751 16.531 9.638 1.00 0.00 H new ATOM 0 HB2 TRP A 52 10.086 17.498 11.996 1.00 0.00 H new ATOM 0 HB3 TRP A 52 11.575 18.222 11.422 1.00 0.00 H new ATOM 0 HD1 TRP A 52 11.245 18.763 8.472 1.00 0.00 H new ATOM 0 HE1 TRP A 52 9.360 20.210 7.452 1.00 0.00 H new ATOM 0 HE3 TRP A 52 7.886 18.420 12.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 6.789 21.060 8.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 5.725 19.581 12.091 1.00 0.00 H new ATOM 0 HH2 TRP A 52 5.187 20.884 10.076 1.00 0.00 H new ATOM 754 N ARG A 53 11.209 15.165 12.618 1.00 0.00 N ATOM 755 CA ARG A 53 11.831 14.378 13.680 1.00 0.00 C ATOM 756 C ARG A 53 12.751 15.244 14.533 1.00 0.00 C ATOM 757 O ARG A 53 13.898 15.501 14.167 1.00 0.00 O ATOM 758 CB ARG A 53 12.617 13.199 13.097 1.00 0.00 C ATOM 759 CG ARG A 53 12.933 12.116 14.117 1.00 0.00 C ATOM 760 CD ARG A 53 14.302 12.326 14.744 1.00 0.00 C ATOM 761 NE ARG A 53 14.838 11.092 15.318 1.00 0.00 N ATOM 762 CZ ARG A 53 15.899 11.048 16.120 1.00 0.00 C ATOM 763 NH1 ARG A 53 16.540 12.163 16.446 1.00 0.00 N ATOM 764 NH2 ARG A 53 16.319 9.886 16.599 1.00 0.00 N ATOM 0 H ARG A 53 10.237 15.415 12.798 1.00 0.00 H new ATOM 0 HA ARG A 53 11.033 13.988 14.313 1.00 0.00 H new ATOM 0 HB2 ARG A 53 12.045 12.761 12.279 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.550 13.569 12.672 1.00 0.00 H new ATOM 0 HG2 ARG A 53 12.171 12.115 14.896 1.00 0.00 H new ATOM 0 HG3 ARG A 53 12.898 11.139 13.635 1.00 0.00 H new ATOM 0 HD2 ARG A 53 14.992 12.704 13.990 1.00 0.00 H new ATOM 0 HD3 ARG A 53 14.232 13.087 15.522 1.00 0.00 H new ATOM 0 HE ARG A 53 14.371 10.214 15.090 1.00 0.00 H new ATOM 0 HH11 ARG A 53 16.220 13.060 16.081 1.00 0.00 H new ATOM 0 HH12 ARG A 53 17.353 12.123 17.061 1.00 0.00 H new ATOM 0 HH21 ARG A 53 15.829 9.026 16.353 1.00 0.00 H new ATOM 0 HH22 ARG A 53 17.132 9.852 17.214 1.00 0.00 H new ATOM 778 N THR A 54 12.236 15.693 15.674 1.00 0.00 N ATOM 779 CA THR A 54 13.007 16.531 16.585 1.00 0.00 C ATOM 780 C THR A 54 12.441 16.454 18.000 1.00 0.00 C ATOM 781 O THR A 54 11.439 15.780 18.241 1.00 0.00 O ATOM 782 CB THR A 54 13.006 17.983 16.100 1.00 0.00 C ATOM 783 OG1 THR A 54 11.829 18.262 15.363 1.00 0.00 O ATOM 784 CG2 THR A 54 14.190 18.321 15.223 1.00 0.00 C ATOM 0 H THR A 54 11.287 15.490 15.989 1.00 0.00 H new ATOM 0 HA THR A 54 14.033 16.163 16.601 1.00 0.00 H new ATOM 0 HB THR A 54 13.060 18.591 17.003 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.845 19.195 15.062 1.00 0.00 H new ATOM 0 HG21 THR A 54 14.128 19.364 14.914 1.00 0.00 H new ATOM 0 HG22 THR A 54 15.113 18.162 15.781 1.00 0.00 H new ATOM 0 HG23 THR A 54 14.184 17.681 14.341 1.00 0.00 H new ATOM 792 N PHE A 55 13.087 17.146 18.930 1.00 0.00 N ATOM 793 CA PHE A 55 12.644 17.154 20.321 1.00 0.00 C ATOM 794 C PHE A 55 12.594 18.577 20.868 1.00 0.00 C ATOM 795 O PHE A 55 13.625 19.164 21.197 1.00 0.00 O ATOM 796 CB PHE A 55 13.576 16.297 21.180 1.00 0.00 C ATOM 797 CG PHE A 55 15.032 16.598 20.971 1.00 0.00 C ATOM 798 CD1 PHE A 55 15.712 16.078 19.881 1.00 0.00 C ATOM 799 CD2 PHE A 55 15.723 17.401 21.865 1.00 0.00 C ATOM 800 CE1 PHE A 55 17.052 16.353 19.686 1.00 0.00 C ATOM 801 CE2 PHE A 55 17.064 17.679 21.677 1.00 0.00 C ATOM 802 CZ PHE A 55 17.729 17.154 20.586 1.00 0.00 C ATOM 0 H PHE A 55 13.918 17.709 18.748 1.00 0.00 H new ATOM 0 HA PHE A 55 11.639 16.734 20.358 1.00 0.00 H new ATOM 0 HB2 PHE A 55 13.329 16.448 22.231 1.00 0.00 H new ATOM 0 HB3 PHE A 55 13.396 15.245 20.959 1.00 0.00 H new ATOM 0 HD1 PHE A 55 15.188 15.450 19.175 1.00 0.00 H new ATOM 0 HD2 PHE A 55 15.207 17.815 22.719 1.00 0.00 H new ATOM 0 HE1 PHE A 55 17.570 15.943 18.832 1.00 0.00 H new ATOM 0 HE2 PHE A 55 17.591 18.305 22.382 1.00 0.00 H new ATOM 0 HZ PHE A 55 18.777 17.369 20.437 1.00 0.00 H new ATOM 812 N SER A 56 11.386 19.125 20.967 1.00 0.00 N ATOM 813 CA SER A 56 11.201 20.478 21.475 1.00 0.00 C ATOM 814 C SER A 56 11.951 21.491 20.618 1.00 0.00 C ATOM 815 O SER A 56 12.691 21.121 19.706 1.00 0.00 O ATOM 816 CB SER A 56 11.677 20.569 22.927 1.00 0.00 C ATOM 817 OG SER A 56 11.317 19.409 23.656 1.00 0.00 O ATOM 0 H SER A 56 10.522 18.652 20.702 1.00 0.00 H new ATOM 0 HA SER A 56 10.137 20.712 21.432 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.759 20.696 22.951 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.243 21.449 23.401 1.00 0.00 H new ATOM 0 HG SER A 56 11.634 19.492 24.580 1.00 0.00 H new ATOM 823 N ASN A 57 11.755 22.772 20.916 1.00 0.00 N ATOM 824 CA ASN A 57 12.416 23.838 20.173 1.00 0.00 C ATOM 825 C ASN A 57 13.093 24.822 21.121 1.00 0.00 C ATOM 826 O ASN A 57 12.897 24.767 22.334 1.00 0.00 O ATOM 827 CB ASN A 57 11.404 24.575 19.293 1.00 0.00 C ATOM 828 CG ASN A 57 12.043 25.172 18.054 1.00 0.00 C ATOM 829 OD1 ASN A 57 12.875 24.539 17.403 1.00 0.00 O ATOM 830 ND2 ASN A 57 11.657 26.398 17.721 1.00 0.00 N ATOM 0 H ASN A 57 11.144 23.096 21.666 1.00 0.00 H new ATOM 0 HA ASN A 57 13.180 23.387 19.539 1.00 0.00 H new ATOM 0 HB2 ASN A 57 10.615 23.885 18.995 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.932 25.368 19.873 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.053 26.851 16.897 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.965 26.887 18.289 1.00 0.00 H new ATOM 837 N ASP A 58 13.893 25.723 20.558 1.00 0.00 N ATOM 838 CA ASP A 58 14.601 26.719 21.354 1.00 0.00 C ATOM 839 C ASP A 58 13.882 28.063 21.307 1.00 0.00 C ATOM 840 O ASP A 58 13.818 28.779 22.308 1.00 0.00 O ATOM 841 CB ASP A 58 16.038 26.876 20.853 1.00 0.00 C ATOM 842 CG ASP A 58 17.025 27.085 21.983 1.00 0.00 C ATOM 843 OD1 ASP A 58 17.222 28.248 22.394 1.00 0.00 O ATOM 844 OD2 ASP A 58 17.601 26.083 22.460 1.00 0.00 O ATOM 0 H ASP A 58 14.067 25.783 19.555 1.00 0.00 H new ATOM 0 HA ASP A 58 14.621 26.375 22.388 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.321 25.989 20.287 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.090 27.722 20.168 1.00 0.00 H new ATOM 849 N LYS A 59 13.344 28.401 20.141 1.00 0.00 N ATOM 850 CA LYS A 59 12.630 29.661 19.964 1.00 0.00 C ATOM 851 C LYS A 59 11.155 29.505 20.323 1.00 0.00 C ATOM 852 O LYS A 59 10.632 28.378 20.194 1.00 0.00 O ATOM 853 CB LYS A 59 12.766 30.152 18.522 1.00 0.00 C ATOM 854 CG LYS A 59 14.033 30.956 18.271 1.00 0.00 C ATOM 855 CD LYS A 59 14.894 30.324 17.188 1.00 0.00 C ATOM 856 CE LYS A 59 15.480 28.996 17.644 1.00 0.00 C ATOM 857 NZ LYS A 59 14.878 27.844 16.917 1.00 0.00 N ATOM 0 H LYS A 59 13.388 27.820 19.304 1.00 0.00 H new ATOM 0 HA LYS A 59 13.074 30.398 20.634 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.752 29.293 17.851 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.900 30.766 18.272 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.768 31.972 17.978 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.606 31.030 19.195 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.295 30.169 16.290 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.701 31.006 16.920 1.00 0.00 H new ATOM 0 HE2 LYS A 59 16.558 29.002 17.486 1.00 0.00 H new ATOM 0 HE3 LYS A 59 15.316 28.875 18.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.523 27.030 16.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.970 27.591 17.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 14.719 28.105 15.923 1.00 0.00 H new TER 871 LYS A 59