USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 375 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 ASN : amide:sc= -0.566 K(o=-0.57,f=-0.0092) USER MOD Single : A 1 ASN N :NH3+ -167:sc= 0.108 (180deg=-0.235) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -31:sc= 0.111 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot -169:sc= 0.166 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -4.19! C(o=-4.2!,f=-3.9!) USER MOD Single : A 21 MET CE :methyl -153:sc= 0 (180deg=-0.000307) USER MOD Single : A 22 HIS : no HD1:sc= -6.35! K(o=-6.4!,f=-3) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -119:sc= 0.16 USER MOD Single : A 32 ASN : amide:sc= -3.28 K(o=-3.3,f=-14!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 27:sc= 0.628 USER MOD Single : A 43 GLN : amide:sc= -0.0156 K(o=-0.016,f=-8.7!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -8.794 13.617 -3.095 1.00 0.00 N ATOM 2 CA ASN A 1 -9.534 12.494 -2.544 1.00 0.00 C ATOM 3 C ASN A 1 -8.931 11.187 -3.063 1.00 0.00 C ATOM 4 O ASN A 1 -8.769 11.010 -4.270 1.00 0.00 O ATOM 5 CB ASN A 1 -11.003 12.539 -2.971 1.00 0.00 C ATOM 6 CG ASN A 1 -11.688 13.801 -2.445 1.00 0.00 C ATOM 7 OD1 ASN A 1 -12.387 13.788 -1.445 1.00 0.00 O ATOM 8 ND2 ASN A 1 -11.449 14.890 -3.171 1.00 0.00 N ATOM 0 H1 ASN A 1 -9.050 14.486 -2.583 1.00 0.00 H new ATOM 0 H2 ASN A 1 -7.774 13.443 -2.994 1.00 0.00 H new ATOM 0 H3 ASN A 1 -9.029 13.727 -4.102 1.00 0.00 H new ATOM 0 HA ASN A 1 -9.472 12.551 -1.457 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -11.070 12.511 -4.059 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -11.522 11.656 -2.596 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -11.861 15.783 -2.901 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -10.854 14.832 -3.997 1.00 0.00 H new ATOM 16 N SER A 2 -8.614 10.306 -2.127 1.00 0.00 N ATOM 17 CA SER A 2 -8.036 9.019 -2.475 1.00 0.00 C ATOM 18 C SER A 2 -8.954 8.280 -3.451 1.00 0.00 C ATOM 19 O SER A 2 -10.175 8.313 -3.306 1.00 0.00 O ATOM 20 CB SER A 2 -7.794 8.168 -1.226 1.00 0.00 C ATOM 21 OG SER A 2 -6.912 8.807 -0.307 1.00 0.00 O ATOM 0 H SER A 2 -8.746 10.458 -1.127 1.00 0.00 H new ATOM 0 HA SER A 2 -7.073 9.195 -2.954 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.746 7.967 -0.735 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.377 7.205 -1.519 1.00 0.00 H new ATOM 0 HG SER A 2 -6.784 8.233 0.477 1.00 0.00 H new ATOM 27 N TYR A 3 -8.330 7.631 -4.423 1.00 0.00 N ATOM 28 CA TYR A 3 -9.077 6.952 -5.468 1.00 0.00 C ATOM 29 C TYR A 3 -8.413 5.626 -5.844 1.00 0.00 C ATOM 30 O TYR A 3 -7.189 5.549 -5.948 1.00 0.00 O ATOM 31 CB TYR A 3 -9.048 7.884 -6.681 1.00 0.00 C ATOM 32 CG TYR A 3 -9.564 7.245 -7.971 1.00 0.00 C ATOM 33 CD1 TYR A 3 -10.921 7.175 -8.212 1.00 0.00 C ATOM 34 CD2 TYR A 3 -8.672 6.736 -8.894 1.00 0.00 C ATOM 35 CE1 TYR A 3 -11.406 6.572 -9.427 1.00 0.00 C ATOM 36 CE2 TYR A 3 -9.158 6.134 -10.108 1.00 0.00 C ATOM 37 CZ TYR A 3 -10.501 6.082 -10.314 1.00 0.00 C ATOM 38 OH TYR A 3 -10.959 5.512 -11.461 1.00 0.00 O ATOM 0 H TYR A 3 -7.316 7.561 -4.509 1.00 0.00 H new ATOM 0 HA TYR A 3 -10.091 6.732 -5.133 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -9.647 8.768 -6.461 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -8.025 8.224 -6.840 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -11.619 7.572 -7.490 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -7.610 6.790 -8.705 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -12.465 6.511 -9.628 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -8.471 5.733 -10.839 1.00 0.00 H new ATOM 0 HH TYR A 3 -10.200 5.207 -12.001 1.00 0.00 H new ATOM 48 N PRO A 4 -9.202 4.564 -6.053 1.00 0.00 N ATOM 49 CA PRO A 4 -8.646 3.290 -6.518 1.00 0.00 C ATOM 50 C PRO A 4 -8.140 3.372 -7.950 1.00 0.00 C ATOM 51 O PRO A 4 -8.929 3.366 -8.892 1.00 0.00 O ATOM 52 CB PRO A 4 -9.816 2.315 -6.386 1.00 0.00 C ATOM 53 CG PRO A 4 -11.029 3.189 -6.530 1.00 0.00 C ATOM 54 CD PRO A 4 -10.663 4.486 -5.867 1.00 0.00 C ATOM 0 HA PRO A 4 -7.774 2.984 -5.940 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -9.784 1.545 -7.157 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -9.804 1.803 -5.424 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -11.282 3.341 -7.579 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -11.899 2.736 -6.055 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -11.173 5.331 -6.329 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -10.934 4.488 -4.811 1.00 0.00 H new ATOM 62 N GLY A 5 -6.823 3.445 -8.074 1.00 0.00 N ATOM 63 CA GLY A 5 -6.202 3.595 -9.379 1.00 0.00 C ATOM 64 C GLY A 5 -4.787 3.011 -9.383 1.00 0.00 C ATOM 65 O GLY A 5 -4.128 2.964 -8.345 1.00 0.00 O ATOM 0 H GLY A 5 -6.169 3.403 -7.292 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -6.808 3.094 -10.134 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.165 4.650 -9.649 1.00 0.00 H new ATOM 69 N CYS A 6 -4.362 2.581 -10.562 1.00 0.00 N ATOM 70 CA CYS A 6 -3.032 2.017 -10.718 1.00 0.00 C ATOM 71 C CYS A 6 -2.808 1.720 -12.202 1.00 0.00 C ATOM 72 O CYS A 6 -3.164 0.646 -12.684 1.00 0.00 O ATOM 73 CB CYS A 6 -2.840 0.772 -9.851 1.00 0.00 C ATOM 74 SG CYS A 6 -1.172 0.594 -9.121 1.00 0.00 S ATOM 0 H CYS A 6 -4.915 2.612 -11.418 1.00 0.00 H new ATOM 0 HA CYS A 6 -2.287 2.735 -10.376 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -3.574 0.791 -9.045 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -3.053 -0.110 -10.455 1.00 0.00 H new ATOM 79 N PRO A 7 -2.216 2.661 -12.950 1.00 0.00 N ATOM 80 CA PRO A 7 -1.989 2.455 -14.382 1.00 0.00 C ATOM 81 C PRO A 7 -0.945 1.386 -14.653 1.00 0.00 C ATOM 82 O PRO A 7 -0.406 0.788 -13.722 1.00 0.00 O ATOM 83 CB PRO A 7 -1.536 3.829 -14.879 1.00 0.00 C ATOM 84 CG PRO A 7 -0.903 4.455 -13.668 1.00 0.00 C ATOM 85 CD PRO A 7 -1.720 3.977 -12.503 1.00 0.00 C ATOM 0 HA PRO A 7 -2.882 2.094 -14.893 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -0.827 3.743 -15.702 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -2.376 4.420 -15.242 1.00 0.00 H new ATOM 0 HG2 PRO A 7 0.139 4.152 -13.568 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -0.914 5.543 -13.736 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -1.119 3.893 -11.598 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -2.539 4.660 -12.279 1.00 0.00 H new ATOM 93 N SER A 8 -0.684 1.169 -15.934 1.00 0.00 N ATOM 94 CA SER A 8 0.259 0.141 -16.342 1.00 0.00 C ATOM 95 C SER A 8 1.693 0.629 -16.122 1.00 0.00 C ATOM 96 O SER A 8 2.638 -0.154 -16.201 1.00 0.00 O ATOM 97 CB SER A 8 0.050 -0.247 -17.807 1.00 0.00 C ATOM 98 OG SER A 8 0.849 -1.366 -18.182 1.00 0.00 O ATOM 0 H SER A 8 -1.109 1.687 -16.703 1.00 0.00 H new ATOM 0 HA SER A 8 0.085 -0.745 -15.731 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.002 -0.480 -17.974 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.293 0.602 -18.445 1.00 0.00 H new ATOM 0 HG SER A 8 1.681 -1.362 -17.665 1.00 0.00 H new ATOM 104 N SER A 9 1.808 1.921 -15.849 1.00 0.00 N ATOM 105 CA SER A 9 3.109 2.518 -15.600 1.00 0.00 C ATOM 106 C SER A 9 3.869 1.701 -14.553 1.00 0.00 C ATOM 107 O SER A 9 5.044 1.388 -14.739 1.00 0.00 O ATOM 108 CB SER A 9 2.968 3.971 -15.140 1.00 0.00 C ATOM 109 OG SER A 9 4.233 4.571 -14.872 1.00 0.00 O ATOM 0 H SER A 9 1.023 2.570 -15.795 1.00 0.00 H new ATOM 0 HA SER A 9 3.672 2.513 -16.533 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.449 4.546 -15.907 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.351 4.009 -14.242 1.00 0.00 H new ATOM 0 HG SER A 9 4.101 5.498 -14.583 1.00 0.00 H new ATOM 115 N TYR A 10 3.168 1.379 -13.477 1.00 0.00 N ATOM 116 CA TYR A 10 3.754 0.583 -12.412 1.00 0.00 C ATOM 117 C TYR A 10 3.434 -0.901 -12.597 1.00 0.00 C ATOM 118 O TYR A 10 4.330 -1.743 -12.560 1.00 0.00 O ATOM 119 CB TYR A 10 3.108 1.074 -11.115 1.00 0.00 C ATOM 120 CG TYR A 10 3.092 2.597 -10.966 1.00 0.00 C ATOM 121 CD1 TYR A 10 4.231 3.264 -10.566 1.00 0.00 C ATOM 122 CD2 TYR A 10 1.936 3.302 -11.231 1.00 0.00 C ATOM 123 CE1 TYR A 10 4.215 4.696 -10.426 1.00 0.00 C ATOM 124 CE2 TYR A 10 1.920 4.735 -11.090 1.00 0.00 C ATOM 125 CZ TYR A 10 3.060 5.362 -10.695 1.00 0.00 C ATOM 126 OH TYR A 10 3.045 6.716 -10.562 1.00 0.00 O ATOM 0 H TYR A 10 2.199 1.655 -13.319 1.00 0.00 H new ATOM 0 HA TYR A 10 4.839 0.689 -12.406 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.084 0.704 -11.068 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.642 0.642 -10.269 1.00 0.00 H new ATOM 0 HD1 TYR A 10 5.135 2.711 -10.358 1.00 0.00 H new ATOM 0 HD2 TYR A 10 1.044 2.780 -11.544 1.00 0.00 H new ATOM 0 HE1 TYR A 10 5.100 5.230 -10.114 1.00 0.00 H new ATOM 0 HE2 TYR A 10 1.022 5.299 -11.294 1.00 0.00 H new ATOM 0 HH TYR A 10 2.121 7.040 -10.614 1.00 0.00 H new ATOM 136 N ASP A 11 2.152 -1.178 -12.792 1.00 0.00 N ATOM 137 CA ASP A 11 1.708 -2.543 -13.013 1.00 0.00 C ATOM 138 C ASP A 11 2.303 -3.451 -11.936 1.00 0.00 C ATOM 139 O ASP A 11 3.244 -4.198 -12.198 1.00 0.00 O ATOM 140 CB ASP A 11 2.172 -3.060 -14.376 1.00 0.00 C ATOM 141 CG ASP A 11 1.715 -4.479 -14.720 1.00 0.00 C ATOM 142 OD1 ASP A 11 0.616 -4.905 -14.339 1.00 0.00 O ATOM 143 OD2 ASP A 11 2.553 -5.167 -15.419 1.00 0.00 O ATOM 0 H ASP A 11 1.408 -0.480 -12.801 1.00 0.00 H new ATOM 0 HA ASP A 11 0.619 -2.552 -12.975 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.810 -2.381 -15.148 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.261 -3.027 -14.408 1.00 0.00 H new ATOM 149 N GLY A 12 1.730 -3.357 -10.745 1.00 0.00 N ATOM 150 CA GLY A 12 2.176 -4.177 -9.632 1.00 0.00 C ATOM 151 C GLY A 12 3.007 -3.356 -8.644 1.00 0.00 C ATOM 152 O GLY A 12 4.040 -3.818 -8.162 1.00 0.00 O ATOM 0 H GLY A 12 0.960 -2.725 -10.527 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.313 -4.603 -9.121 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.769 -5.012 -10.006 1.00 0.00 H new ATOM 156 N TYR A 13 2.524 -2.152 -8.372 1.00 0.00 N ATOM 157 CA TYR A 13 3.178 -1.285 -7.407 1.00 0.00 C ATOM 158 C TYR A 13 3.367 -1.999 -6.067 1.00 0.00 C ATOM 159 O TYR A 13 4.440 -1.932 -5.470 1.00 0.00 O ATOM 160 CB TYR A 13 2.239 -0.094 -7.208 1.00 0.00 C ATOM 161 CG TYR A 13 2.948 1.191 -6.775 1.00 0.00 C ATOM 162 CD1 TYR A 13 3.690 1.213 -5.612 1.00 0.00 C ATOM 163 CD2 TYR A 13 2.844 2.330 -7.549 1.00 0.00 C ATOM 164 CE1 TYR A 13 4.357 2.422 -5.206 1.00 0.00 C ATOM 165 CE2 TYR A 13 3.511 3.539 -7.143 1.00 0.00 C ATOM 166 CZ TYR A 13 4.235 3.526 -5.991 1.00 0.00 C ATOM 167 OH TYR A 13 4.865 4.668 -5.608 1.00 0.00 O ATOM 0 H TYR A 13 1.688 -1.757 -8.803 1.00 0.00 H new ATOM 0 HA TYR A 13 4.163 -0.987 -7.765 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.705 0.094 -8.139 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.492 -0.355 -6.459 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.770 0.323 -5.006 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.262 2.314 -8.459 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.941 2.452 -4.298 1.00 0.00 H new ATOM 0 HE2 TYR A 13 3.438 4.436 -7.739 1.00 0.00 H new ATOM 0 HH TYR A 13 4.690 5.374 -6.265 1.00 0.00 H new ATOM 177 N CYS A 14 2.309 -2.669 -5.635 1.00 0.00 N ATOM 178 CA CYS A 14 2.354 -3.421 -4.392 1.00 0.00 C ATOM 179 C CYS A 14 2.653 -4.884 -4.727 1.00 0.00 C ATOM 180 O CYS A 14 2.520 -5.301 -5.876 1.00 0.00 O ATOM 181 CB CYS A 14 1.060 -3.271 -3.592 1.00 0.00 C ATOM 182 SG CYS A 14 0.164 -1.699 -3.870 1.00 0.00 S ATOM 0 H CYS A 14 1.415 -2.707 -6.124 1.00 0.00 H new ATOM 0 HA CYS A 14 3.144 -3.026 -3.754 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.397 -4.100 -3.841 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.293 -3.357 -2.531 1.00 0.00 H new ATOM 187 N LEU A 15 3.051 -5.623 -3.701 1.00 0.00 N ATOM 188 CA LEU A 15 3.423 -7.015 -3.883 1.00 0.00 C ATOM 189 C LEU A 15 3.009 -7.814 -2.645 1.00 0.00 C ATOM 190 O LEU A 15 2.881 -7.257 -1.556 1.00 0.00 O ATOM 191 CB LEU A 15 4.909 -7.133 -4.221 1.00 0.00 C ATOM 192 CG LEU A 15 5.753 -5.879 -3.987 1.00 0.00 C ATOM 193 CD1 LEU A 15 6.064 -5.696 -2.500 1.00 0.00 C ATOM 194 CD2 LEU A 15 7.023 -5.905 -4.840 1.00 0.00 C ATOM 0 H LEU A 15 3.124 -5.284 -2.742 1.00 0.00 H new ATOM 0 HA LEU A 15 2.892 -7.443 -4.733 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.332 -7.946 -3.631 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.001 -7.418 -5.269 1.00 0.00 H new ATOM 0 HG LEU A 15 5.172 -5.013 -4.303 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.665 -4.797 -2.362 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.132 -5.599 -1.943 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.616 -6.562 -2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.605 -5.002 -4.654 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.618 -6.780 -4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.752 -5.951 -5.895 1.00 0.00 H new ATOM 206 N ASN A 16 2.811 -9.107 -2.853 1.00 0.00 N ATOM 207 CA ASN A 16 2.544 -10.011 -1.748 1.00 0.00 C ATOM 208 C ASN A 16 1.750 -9.270 -0.670 1.00 0.00 C ATOM 209 O ASN A 16 2.281 -8.966 0.398 1.00 0.00 O ATOM 210 CB ASN A 16 3.844 -10.511 -1.117 1.00 0.00 C ATOM 211 CG ASN A 16 4.891 -9.397 -1.062 1.00 0.00 C ATOM 212 OD1 ASN A 16 4.737 -8.399 -0.377 1.00 0.00 O ATOM 213 ND2 ASN A 16 5.960 -9.621 -1.820 1.00 0.00 N ATOM 0 H ASN A 16 2.830 -9.550 -3.771 1.00 0.00 H new ATOM 0 HA ASN A 16 1.983 -10.861 -2.136 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.646 -10.879 -0.110 1.00 0.00 H new ATOM 0 HB3 ASN A 16 4.232 -11.351 -1.693 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.715 -8.936 -1.852 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.025 -10.478 -2.369 1.00 0.00 H new ATOM 220 N GLY A 17 0.492 -9.001 -0.985 1.00 0.00 N ATOM 221 CA GLY A 17 -0.466 -8.603 0.032 1.00 0.00 C ATOM 222 C GLY A 17 -0.964 -7.177 -0.213 1.00 0.00 C ATOM 223 O GLY A 17 -2.166 -6.920 -0.176 1.00 0.00 O ATOM 0 H GLY A 17 0.114 -9.051 -1.931 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.310 -9.292 0.031 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -0.004 -8.667 1.017 1.00 0.00 H new ATOM 227 N GLY A 18 -0.014 -6.286 -0.457 1.00 0.00 N ATOM 228 CA GLY A 18 -0.330 -4.874 -0.592 1.00 0.00 C ATOM 229 C GLY A 18 -1.291 -4.636 -1.757 1.00 0.00 C ATOM 230 O GLY A 18 -1.283 -5.381 -2.736 1.00 0.00 O ATOM 0 H GLY A 18 0.974 -6.514 -0.565 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.776 -4.508 0.333 1.00 0.00 H new ATOM 0 HA3 GLY A 18 0.587 -4.306 -0.750 1.00 0.00 H new ATOM 234 N VAL A 19 -2.097 -3.594 -1.614 1.00 0.00 N ATOM 235 CA VAL A 19 -3.028 -3.218 -2.664 1.00 0.00 C ATOM 236 C VAL A 19 -2.760 -1.771 -3.084 1.00 0.00 C ATOM 237 O VAL A 19 -2.417 -0.933 -2.252 1.00 0.00 O ATOM 238 CB VAL A 19 -4.467 -3.446 -2.194 1.00 0.00 C ATOM 239 CG1 VAL A 19 -5.453 -3.292 -3.353 1.00 0.00 C ATOM 240 CG2 VAL A 19 -4.614 -4.815 -1.526 1.00 0.00 C ATOM 0 H VAL A 19 -2.124 -2.998 -0.786 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.883 -3.845 -3.544 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.703 -2.684 -1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -6.468 -3.459 -2.992 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.376 -2.286 -3.765 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.219 -4.021 -4.129 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -5.645 -4.952 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.350 -5.597 -2.238 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.951 -4.872 -0.663 1.00 0.00 H new ATOM 250 N CYS A 20 -2.925 -1.524 -4.375 1.00 0.00 N ATOM 251 CA CYS A 20 -2.556 -0.239 -4.945 1.00 0.00 C ATOM 252 C CYS A 20 -3.712 0.737 -4.722 1.00 0.00 C ATOM 253 O CYS A 20 -4.878 0.356 -4.822 1.00 0.00 O ATOM 254 CB CYS A 20 -2.189 -0.361 -6.425 1.00 0.00 C ATOM 255 SG CYS A 20 -1.458 1.145 -7.162 1.00 0.00 S ATOM 0 H CYS A 20 -3.309 -2.192 -5.043 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.663 0.139 -4.447 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -1.485 -1.185 -6.543 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -3.085 -0.625 -6.986 1.00 0.00 H new ATOM 260 N MET A 21 -3.351 1.976 -4.423 1.00 0.00 N ATOM 261 CA MET A 21 -4.340 3.027 -4.263 1.00 0.00 C ATOM 262 C MET A 21 -3.807 4.365 -4.779 1.00 0.00 C ATOM 263 O MET A 21 -2.617 4.495 -5.063 1.00 0.00 O ATOM 264 CB MET A 21 -4.711 3.160 -2.785 1.00 0.00 C ATOM 265 CG MET A 21 -5.698 2.068 -2.367 1.00 0.00 C ATOM 266 SD MET A 21 -6.547 2.552 -0.874 1.00 0.00 S ATOM 267 CE MET A 21 -7.850 3.555 -1.569 1.00 0.00 C ATOM 0 H MET A 21 -2.385 2.276 -4.287 1.00 0.00 H new ATOM 0 HA MET A 21 -5.222 2.760 -4.845 1.00 0.00 H new ATOM 0 HB2 MET A 21 -3.811 3.095 -2.173 1.00 0.00 H new ATOM 0 HB3 MET A 21 -5.150 4.141 -2.603 1.00 0.00 H new ATOM 0 HG2 MET A 21 -6.419 1.893 -3.165 1.00 0.00 H new ATOM 0 HG3 MET A 21 -5.168 1.129 -2.206 1.00 0.00 H new ATOM 0 HE1 MET A 21 -8.167 4.298 -0.837 1.00 0.00 H new ATOM 0 HE2 MET A 21 -7.483 4.060 -2.463 1.00 0.00 H new ATOM 0 HE3 MET A 21 -8.696 2.921 -1.832 1.00 0.00 H new ATOM 277 N HIS A 22 -4.713 5.326 -4.883 1.00 0.00 N ATOM 278 CA HIS A 22 -4.344 6.656 -5.339 1.00 0.00 C ATOM 279 C HIS A 22 -4.618 7.673 -4.229 1.00 0.00 C ATOM 280 O HIS A 22 -5.542 7.497 -3.435 1.00 0.00 O ATOM 281 CB HIS A 22 -5.058 6.999 -6.648 1.00 0.00 C ATOM 282 CG HIS A 22 -4.299 7.963 -7.528 1.00 0.00 C ATOM 283 ND1 HIS A 22 -4.911 9.007 -8.198 1.00 0.00 N ATOM 284 CD2 HIS A 22 -2.973 8.031 -7.838 1.00 0.00 C ATOM 285 CE1 HIS A 22 -3.985 9.666 -8.880 1.00 0.00 C ATOM 286 NE2 HIS A 22 -2.784 9.059 -8.656 1.00 0.00 N ATOM 0 H HIS A 22 -5.701 5.211 -4.659 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.276 6.687 -5.557 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.236 6.079 -7.204 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -6.034 7.426 -6.416 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.206 7.361 -7.479 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -4.152 10.532 -9.504 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -1.889 9.347 -9.052 1.00 0.00 H new ATOM 294 N ILE A 23 -3.800 8.714 -4.209 1.00 0.00 N ATOM 295 CA ILE A 23 -3.960 9.774 -3.229 1.00 0.00 C ATOM 296 C ILE A 23 -4.620 10.984 -3.894 1.00 0.00 C ATOM 297 O ILE A 23 -5.493 11.621 -3.307 1.00 0.00 O ATOM 298 CB ILE A 23 -2.621 10.093 -2.561 1.00 0.00 C ATOM 299 CG1 ILE A 23 -1.596 8.992 -2.834 1.00 0.00 C ATOM 300 CG2 ILE A 23 -2.803 10.351 -1.064 1.00 0.00 C ATOM 301 CD1 ILE A 23 -0.398 9.112 -1.889 1.00 0.00 C ATOM 0 H ILE A 23 -3.023 8.846 -4.857 1.00 0.00 H new ATOM 0 HA ILE A 23 -4.622 9.452 -2.425 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.230 11.011 -3.000 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.064 8.015 -2.711 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.256 9.055 -3.868 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.836 10.575 -0.613 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.476 11.196 -0.920 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.227 9.465 -0.591 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.316 8.317 -2.104 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.082 10.080 -2.032 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.738 9.025 -0.857 1.00 0.00 H new ATOM 313 N GLU A 24 -4.177 11.264 -5.111 1.00 0.00 N ATOM 314 CA GLU A 24 -4.830 12.270 -5.932 1.00 0.00 C ATOM 315 C GLU A 24 -4.310 13.664 -5.577 1.00 0.00 C ATOM 316 O GLU A 24 -3.949 14.439 -6.461 1.00 0.00 O ATOM 317 CB GLU A 24 -6.350 12.197 -5.783 1.00 0.00 C ATOM 318 CG GLU A 24 -7.050 12.671 -7.058 1.00 0.00 C ATOM 319 CD GLU A 24 -8.569 12.702 -6.871 1.00 0.00 C ATOM 320 OE1 GLU A 24 -9.093 13.611 -6.210 1.00 0.00 O ATOM 321 OE2 GLU A 24 -9.208 11.739 -7.443 1.00 0.00 O ATOM 0 H GLU A 24 -3.374 10.812 -5.548 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.591 12.070 -6.976 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -6.648 11.173 -5.560 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.666 12.812 -4.940 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.693 13.665 -7.325 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.795 12.008 -7.885 1.00 0.00 H new ATOM 329 N SER A 25 -4.287 13.939 -4.281 1.00 0.00 N ATOM 330 CA SER A 25 -3.819 15.228 -3.799 1.00 0.00 C ATOM 331 C SER A 25 -2.359 15.439 -4.201 1.00 0.00 C ATOM 332 O SER A 25 -1.935 16.567 -4.446 1.00 0.00 O ATOM 333 CB SER A 25 -3.972 15.335 -2.280 1.00 0.00 C ATOM 334 OG SER A 25 -3.469 16.570 -1.779 1.00 0.00 O ATOM 0 H SER A 25 -4.584 13.292 -3.551 1.00 0.00 H new ATOM 0 HA SER A 25 -4.430 16.007 -4.255 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.024 15.237 -2.014 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.445 14.509 -1.803 1.00 0.00 H new ATOM 0 HG SER A 25 -3.586 16.601 -0.807 1.00 0.00 H new ATOM 340 N LEU A 26 -1.628 14.334 -4.258 1.00 0.00 N ATOM 341 CA LEU A 26 -0.222 14.385 -4.619 1.00 0.00 C ATOM 342 C LEU A 26 -0.036 13.782 -6.012 1.00 0.00 C ATOM 343 O LEU A 26 1.085 13.702 -6.513 1.00 0.00 O ATOM 344 CB LEU A 26 0.633 13.717 -3.540 1.00 0.00 C ATOM 345 CG LEU A 26 1.096 14.620 -2.395 1.00 0.00 C ATOM 346 CD1 LEU A 26 2.301 15.465 -2.817 1.00 0.00 C ATOM 347 CD2 LEU A 26 -0.056 15.484 -1.878 1.00 0.00 C ATOM 0 H LEU A 26 -1.984 13.399 -4.060 1.00 0.00 H new ATOM 0 HA LEU A 26 0.121 15.418 -4.670 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.065 12.889 -3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.514 13.288 -4.017 1.00 0.00 H new ATOM 0 HG LEU A 26 1.419 13.986 -1.569 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.611 16.098 -1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.124 14.809 -3.100 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.027 16.090 -3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.300 16.116 -1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.432 16.111 -2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.858 14.842 -1.514 1.00 0.00 H new ATOM 359 N ASP A 27 -1.151 13.374 -6.599 1.00 0.00 N ATOM 360 CA ASP A 27 -1.117 12.708 -7.890 1.00 0.00 C ATOM 361 C ASP A 27 -0.210 11.479 -7.801 1.00 0.00 C ATOM 362 O ASP A 27 0.386 11.069 -8.796 1.00 0.00 O ATOM 363 CB ASP A 27 -0.555 13.632 -8.972 1.00 0.00 C ATOM 364 CG ASP A 27 -1.109 13.394 -10.378 1.00 0.00 C ATOM 365 OD1 ASP A 27 -0.367 13.037 -11.305 1.00 0.00 O ATOM 366 OD2 ASP A 27 -2.377 13.591 -10.505 1.00 0.00 O ATOM 0 H ASP A 27 -2.084 13.492 -6.204 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.137 12.426 -8.151 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.758 14.665 -8.688 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.528 13.516 -9.000 1.00 0.00 H new ATOM 372 N SER A 28 -0.134 10.925 -6.600 1.00 0.00 N ATOM 373 CA SER A 28 0.726 9.779 -6.357 1.00 0.00 C ATOM 374 C SER A 28 -0.118 8.511 -6.219 1.00 0.00 C ATOM 375 O SER A 28 -1.311 8.583 -5.925 1.00 0.00 O ATOM 376 CB SER A 28 1.579 9.987 -5.104 1.00 0.00 C ATOM 377 OG SER A 28 2.948 9.660 -5.330 1.00 0.00 O ATOM 0 H SER A 28 -0.654 11.248 -5.784 1.00 0.00 H new ATOM 0 HA SER A 28 1.398 9.670 -7.208 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.503 11.025 -4.782 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.188 9.372 -4.293 1.00 0.00 H new ATOM 0 HG SER A 28 3.460 9.808 -4.507 1.00 0.00 H new ATOM 383 N TYR A 29 0.533 7.378 -6.440 1.00 0.00 N ATOM 384 CA TYR A 29 -0.121 6.092 -6.265 1.00 0.00 C ATOM 385 C TYR A 29 0.514 5.305 -5.117 1.00 0.00 C ATOM 386 O TYR A 29 1.655 4.859 -5.222 1.00 0.00 O ATOM 387 CB TYR A 29 0.095 5.329 -7.572 1.00 0.00 C ATOM 388 CG TYR A 29 -0.681 5.898 -8.762 1.00 0.00 C ATOM 389 CD1 TYR A 29 -0.135 6.916 -9.519 1.00 0.00 C ATOM 390 CD2 TYR A 29 -1.925 5.394 -9.079 1.00 0.00 C ATOM 391 CE1 TYR A 29 -0.864 7.452 -10.638 1.00 0.00 C ATOM 392 CE2 TYR A 29 -2.656 5.930 -10.199 1.00 0.00 C ATOM 393 CZ TYR A 29 -2.089 6.932 -10.923 1.00 0.00 C ATOM 394 OH TYR A 29 -2.778 7.439 -11.980 1.00 0.00 O ATOM 0 H TYR A 29 1.507 7.324 -6.739 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.177 6.227 -6.029 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.159 5.332 -7.811 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -0.196 4.289 -7.426 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.840 7.310 -9.271 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -2.351 4.597 -8.488 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.449 8.248 -11.238 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -3.631 5.545 -10.458 1.00 0.00 H new ATOM 0 HH TYR A 29 -3.635 6.972 -12.066 1.00 0.00 H new ATOM 404 N THR A 30 -0.253 5.160 -4.047 1.00 0.00 N ATOM 405 CA THR A 30 0.279 4.601 -2.816 1.00 0.00 C ATOM 406 C THR A 30 -0.011 3.101 -2.742 1.00 0.00 C ATOM 407 O THR A 30 -0.477 2.506 -3.712 1.00 0.00 O ATOM 408 CB THR A 30 -0.309 5.392 -1.645 1.00 0.00 C ATOM 409 OG1 THR A 30 0.424 4.932 -0.513 1.00 0.00 O ATOM 410 CG2 THR A 30 -1.755 4.995 -1.339 1.00 0.00 C ATOM 0 H THR A 30 -1.239 5.420 -4.007 1.00 0.00 H new ATOM 0 HA THR A 30 1.364 4.692 -2.777 1.00 0.00 H new ATOM 0 HB THR A 30 -0.264 6.458 -1.867 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.191 4.521 0.130 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.125 5.585 -0.501 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.376 5.180 -2.215 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.795 3.936 -1.083 1.00 0.00 H new ATOM 418 N CYS A 31 0.278 2.531 -1.581 1.00 0.00 N ATOM 419 CA CYS A 31 0.089 1.105 -1.380 1.00 0.00 C ATOM 420 C CYS A 31 -0.203 0.863 0.102 1.00 0.00 C ATOM 421 O CYS A 31 0.597 1.227 0.963 1.00 0.00 O ATOM 422 CB CYS A 31 1.298 0.300 -1.862 1.00 0.00 C ATOM 423 SG CYS A 31 1.271 -0.136 -3.638 1.00 0.00 S ATOM 0 H CYS A 31 0.642 3.031 -0.770 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.755 0.760 -1.977 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.203 0.872 -1.657 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.362 -0.618 -1.278 1.00 0.00 H new ATOM 428 N ASN A 32 -1.351 0.251 0.355 1.00 0.00 N ATOM 429 CA ASN A 32 -1.698 -0.163 1.703 1.00 0.00 C ATOM 430 C ASN A 32 -1.218 -1.599 1.930 1.00 0.00 C ATOM 431 O ASN A 32 -1.565 -2.500 1.169 1.00 0.00 O ATOM 432 CB ASN A 32 -3.212 -0.131 1.917 1.00 0.00 C ATOM 433 CG ASN A 32 -3.946 -0.777 0.740 1.00 0.00 C ATOM 434 OD1 ASN A 32 -3.377 -1.511 -0.051 1.00 0.00 O ATOM 435 ND2 ASN A 32 -5.236 -0.463 0.669 1.00 0.00 N ATOM 0 H ASN A 32 -2.053 0.032 -0.352 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.221 0.526 2.401 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -3.464 -0.655 2.839 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -3.544 0.900 2.036 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -5.813 -0.843 -0.081 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -5.649 0.158 1.365 1.00 0.00 H new ATOM 442 N CYS A 33 -0.428 -1.765 2.981 1.00 0.00 N ATOM 443 CA CYS A 33 0.288 -3.013 3.189 1.00 0.00 C ATOM 444 C CYS A 33 -0.561 -3.909 4.092 1.00 0.00 C ATOM 445 O CYS A 33 -1.706 -3.581 4.399 1.00 0.00 O ATOM 446 CB CYS A 33 1.684 -2.774 3.769 1.00 0.00 C ATOM 447 SG CYS A 33 3.064 -3.158 2.632 1.00 0.00 S ATOM 0 H CYS A 33 -0.268 -1.057 3.697 1.00 0.00 H new ATOM 0 HA CYS A 33 0.445 -3.510 2.232 1.00 0.00 H new ATOM 0 HB2 CYS A 33 1.762 -1.730 4.073 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.796 -3.377 4.670 1.00 0.00 H new ATOM 452 N VAL A 34 0.034 -5.023 4.492 1.00 0.00 N ATOM 453 CA VAL A 34 -0.719 -6.079 5.149 1.00 0.00 C ATOM 454 C VAL A 34 0.112 -6.653 6.298 1.00 0.00 C ATOM 455 O VAL A 34 1.167 -6.116 6.633 1.00 0.00 O ATOM 456 CB VAL A 34 -1.137 -7.138 4.127 1.00 0.00 C ATOM 457 CG1 VAL A 34 -0.002 -8.131 3.872 1.00 0.00 C ATOM 458 CG2 VAL A 34 -2.409 -7.861 4.576 1.00 0.00 C ATOM 0 H VAL A 34 1.028 -5.218 4.374 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.638 -5.681 5.579 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.355 -6.630 3.187 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.325 -8.873 3.142 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.868 -7.598 3.488 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.261 -8.630 4.805 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.685 -8.608 3.832 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.231 -8.351 5.533 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.219 -7.140 4.683 1.00 0.00 H new ATOM 468 N ILE A 35 -0.395 -7.735 6.870 1.00 0.00 N ATOM 469 CA ILE A 35 0.216 -8.311 8.056 1.00 0.00 C ATOM 470 C ILE A 35 1.633 -8.778 7.718 1.00 0.00 C ATOM 471 O ILE A 35 1.861 -9.362 6.659 1.00 0.00 O ATOM 472 CB ILE A 35 -0.673 -9.411 8.637 1.00 0.00 C ATOM 473 CG1 ILE A 35 -2.121 -8.935 8.766 1.00 0.00 C ATOM 474 CG2 ILE A 35 -0.117 -9.922 9.967 1.00 0.00 C ATOM 475 CD1 ILE A 35 -2.901 -9.811 9.748 1.00 0.00 C ATOM 0 H ILE A 35 -1.222 -8.228 6.534 1.00 0.00 H new ATOM 0 HA ILE A 35 0.306 -7.560 8.841 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.671 -10.252 7.944 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.138 -7.899 9.105 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.604 -8.959 7.789 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.769 -10.703 10.358 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.883 -10.327 9.812 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.068 -9.100 10.681 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.927 -9.451 9.821 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.903 -10.842 9.394 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.430 -9.765 10.730 1.00 0.00 H new ATOM 487 N GLY A 36 2.547 -8.505 8.637 1.00 0.00 N ATOM 488 CA GLY A 36 3.935 -8.895 8.450 1.00 0.00 C ATOM 489 C GLY A 36 4.479 -8.366 7.122 1.00 0.00 C ATOM 490 O GLY A 36 5.349 -8.987 6.513 1.00 0.00 O ATOM 0 H GLY A 36 2.354 -8.019 9.513 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.538 -8.511 9.273 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.018 -9.982 8.474 1.00 0.00 H new ATOM 494 N TYR A 37 3.946 -7.224 6.713 1.00 0.00 N ATOM 495 CA TYR A 37 4.359 -6.611 5.462 1.00 0.00 C ATOM 496 C TYR A 37 4.221 -5.089 5.527 1.00 0.00 C ATOM 497 O TYR A 37 3.145 -4.572 5.826 1.00 0.00 O ATOM 498 CB TYR A 37 3.409 -7.153 4.393 1.00 0.00 C ATOM 499 CG TYR A 37 3.920 -8.411 3.687 1.00 0.00 C ATOM 500 CD1 TYR A 37 5.055 -8.351 2.905 1.00 0.00 C ATOM 501 CD2 TYR A 37 3.246 -9.606 3.835 1.00 0.00 C ATOM 502 CE1 TYR A 37 5.536 -9.535 2.241 1.00 0.00 C ATOM 503 CE2 TYR A 37 3.726 -10.790 3.171 1.00 0.00 C ATOM 504 CZ TYR A 37 4.849 -10.696 2.406 1.00 0.00 C ATOM 505 OH TYR A 37 5.302 -11.815 1.780 1.00 0.00 O ATOM 0 H TYR A 37 3.232 -6.707 7.226 1.00 0.00 H new ATOM 0 HA TYR A 37 5.403 -6.840 5.248 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.447 -7.373 4.855 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.235 -6.376 3.648 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.583 -7.416 2.791 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.359 -9.653 4.449 1.00 0.00 H new ATOM 0 HE1 TYR A 37 6.423 -9.501 1.626 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.207 -11.731 3.277 1.00 0.00 H new ATOM 0 HH TYR A 37 4.712 -12.569 1.990 1.00 0.00 H new ATOM 515 N SER A 38 5.323 -4.413 5.239 1.00 0.00 N ATOM 516 CA SER A 38 5.326 -2.961 5.217 1.00 0.00 C ATOM 517 C SER A 38 6.457 -2.453 4.319 1.00 0.00 C ATOM 518 O SER A 38 7.231 -3.245 3.783 1.00 0.00 O ATOM 519 CB SER A 38 5.473 -2.388 6.628 1.00 0.00 C ATOM 520 OG SER A 38 4.232 -2.369 7.327 1.00 0.00 O ATOM 0 H SER A 38 6.221 -4.845 5.019 1.00 0.00 H new ATOM 0 HA SER A 38 4.371 -2.624 4.815 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.195 -2.982 7.187 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.871 -1.375 6.569 1.00 0.00 H new ATOM 0 HG SER A 38 3.648 -3.073 6.975 1.00 0.00 H new ATOM 526 N GLY A 39 6.517 -1.137 4.183 1.00 0.00 N ATOM 527 CA GLY A 39 7.529 -0.517 3.345 1.00 0.00 C ATOM 528 C GLY A 39 6.894 0.150 2.123 1.00 0.00 C ATOM 529 O GLY A 39 7.463 0.126 1.033 1.00 0.00 O ATOM 0 H GLY A 39 5.881 -0.483 4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 39 8.081 0.224 3.923 1.00 0.00 H new ATOM 0 HA3 GLY A 39 8.249 -1.269 3.021 1.00 0.00 H new ATOM 533 N ASP A 40 5.724 0.731 2.345 1.00 0.00 N ATOM 534 CA ASP A 40 4.985 1.362 1.266 1.00 0.00 C ATOM 535 C ASP A 40 4.325 0.283 0.406 1.00 0.00 C ATOM 536 O ASP A 40 3.101 0.187 0.356 1.00 0.00 O ATOM 537 CB ASP A 40 5.913 2.181 0.368 1.00 0.00 C ATOM 538 CG ASP A 40 5.233 3.315 -0.403 1.00 0.00 C ATOM 539 OD1 ASP A 40 4.570 3.083 -1.425 1.00 0.00 O ATOM 540 OD2 ASP A 40 5.408 4.493 0.091 1.00 0.00 O ATOM 0 H ASP A 40 5.270 0.778 3.257 1.00 0.00 H new ATOM 0 HA ASP A 40 4.239 2.021 1.709 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.707 2.605 0.982 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.388 1.509 -0.347 1.00 0.00 H new ATOM 546 N ARG A 41 5.167 -0.501 -0.250 1.00 0.00 N ATOM 547 CA ARG A 41 4.682 -1.554 -1.126 1.00 0.00 C ATOM 548 C ARG A 41 4.344 -2.806 -0.314 1.00 0.00 C ATOM 549 O ARG A 41 3.175 -3.165 -0.177 1.00 0.00 O ATOM 550 CB ARG A 41 5.722 -1.909 -2.190 1.00 0.00 C ATOM 551 CG ARG A 41 6.119 -0.675 -3.003 1.00 0.00 C ATOM 552 CD ARG A 41 7.602 -0.350 -2.817 1.00 0.00 C ATOM 553 NE ARG A 41 8.432 -1.458 -3.340 1.00 0.00 N ATOM 554 CZ ARG A 41 9.773 -1.531 -3.201 1.00 0.00 C ATOM 555 NH1 ARG A 41 10.411 -0.530 -2.623 1.00 0.00 N ATOM 556 NH2 ARG A 41 10.451 -2.610 -3.645 1.00 0.00 N ATOM 0 H ARG A 41 6.183 -0.428 -0.193 1.00 0.00 H new ATOM 0 HA ARG A 41 3.784 -1.185 -1.622 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.605 -2.334 -1.713 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.320 -2.673 -2.855 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.911 -0.848 -4.059 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.515 0.178 -2.695 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.848 0.576 -3.337 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.818 -0.190 -1.761 1.00 0.00 H new ATOM 0 HE ARG A 41 7.961 -2.214 -3.837 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.891 0.282 -2.290 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.424 -0.568 -2.510 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.950 -3.379 -4.090 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.464 -2.656 -3.536 1.00 0.00 H new ATOM 569 N CYS A 42 5.388 -3.437 0.201 1.00 0.00 N ATOM 570 CA CYS A 42 5.215 -4.614 1.036 1.00 0.00 C ATOM 571 C CYS A 42 6.444 -5.508 0.866 1.00 0.00 C ATOM 572 O CYS A 42 6.314 -6.711 0.639 1.00 0.00 O ATOM 573 CB CYS A 42 3.918 -5.356 0.704 1.00 0.00 C ATOM 574 SG CYS A 42 2.477 -4.875 1.723 1.00 0.00 S ATOM 0 H CYS A 42 6.358 -3.156 0.056 1.00 0.00 H new ATOM 0 HA CYS A 42 5.128 -4.314 2.080 1.00 0.00 H new ATOM 0 HB2 CYS A 42 3.677 -5.185 -0.345 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.088 -6.426 0.822 1.00 0.00 H new ATOM 579 N GLN A 43 7.609 -4.889 0.982 1.00 0.00 N ATOM 580 CA GLN A 43 8.857 -5.586 0.728 1.00 0.00 C ATOM 581 C GLN A 43 9.490 -6.038 2.045 1.00 0.00 C ATOM 582 O GLN A 43 10.238 -7.014 2.076 1.00 0.00 O ATOM 583 CB GLN A 43 9.822 -4.710 -0.072 1.00 0.00 C ATOM 584 CG GLN A 43 10.240 -3.477 0.732 1.00 0.00 C ATOM 585 CD GLN A 43 9.431 -2.248 0.310 1.00 0.00 C ATOM 586 OE1 GLN A 43 8.242 -2.316 0.048 1.00 0.00 O ATOM 587 NE2 GLN A 43 10.142 -1.125 0.260 1.00 0.00 N ATOM 0 H GLN A 43 7.715 -3.910 1.249 1.00 0.00 H new ATOM 0 HA GLN A 43 8.641 -6.471 0.129 1.00 0.00 H new ATOM 0 HB2 GLN A 43 10.705 -5.289 -0.342 1.00 0.00 H new ATOM 0 HB3 GLN A 43 9.349 -4.398 -1.003 1.00 0.00 H new ATOM 0 HG2 GLN A 43 10.094 -3.665 1.796 1.00 0.00 H new ATOM 0 HG3 GLN A 43 11.303 -3.285 0.585 1.00 0.00 H new ATOM 0 HE21 GLN A 43 11.135 -1.139 0.492 1.00 0.00 H new ATOM 0 HE22 GLN A 43 9.694 -0.249 -0.011 1.00 0.00 H new ATOM 596 N THR A 44 9.168 -5.306 3.102 1.00 0.00 N ATOM 597 CA THR A 44 9.682 -5.629 4.421 1.00 0.00 C ATOM 598 C THR A 44 8.776 -6.650 5.113 1.00 0.00 C ATOM 599 O THR A 44 7.750 -6.286 5.686 1.00 0.00 O ATOM 600 CB THR A 44 9.832 -4.322 5.203 1.00 0.00 C ATOM 601 OG1 THR A 44 10.597 -3.487 4.339 1.00 0.00 O ATOM 602 CG2 THR A 44 10.714 -4.481 6.444 1.00 0.00 C ATOM 0 H THR A 44 8.557 -4.490 3.071 1.00 0.00 H new ATOM 0 HA THR A 44 10.662 -6.102 4.358 1.00 0.00 H new ATOM 0 HB THR A 44 8.847 -3.962 5.501 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.740 -2.617 4.767 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.788 -3.525 6.963 1.00 0.00 H new ATOM 0 HG22 THR A 44 10.274 -5.223 7.111 1.00 0.00 H new ATOM 0 HG23 THR A 44 11.709 -4.809 6.144 1.00 0.00 H new ATOM 610 N ARG A 45 9.186 -7.907 5.035 1.00 0.00 N ATOM 611 CA ARG A 45 8.411 -8.985 5.623 1.00 0.00 C ATOM 612 C ARG A 45 8.654 -9.051 7.132 1.00 0.00 C ATOM 613 O ARG A 45 9.648 -9.620 7.580 1.00 0.00 O ATOM 614 CB ARG A 45 8.775 -10.332 4.996 1.00 0.00 C ATOM 615 CG ARG A 45 7.522 -11.085 4.548 1.00 0.00 C ATOM 616 CD ARG A 45 7.877 -12.478 4.022 1.00 0.00 C ATOM 617 NE ARG A 45 8.422 -12.378 2.649 1.00 0.00 N ATOM 618 CZ ARG A 45 8.427 -13.394 1.761 1.00 0.00 C ATOM 619 NH1 ARG A 45 7.930 -14.562 2.123 1.00 0.00 N ATOM 620 NH2 ARG A 45 8.930 -13.218 0.522 1.00 0.00 N ATOM 0 H ARG A 45 10.046 -8.203 4.573 1.00 0.00 H new ATOM 0 HA ARG A 45 7.358 -8.780 5.429 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.433 -10.173 4.142 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.328 -10.935 5.716 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.829 -11.174 5.384 1.00 0.00 H new ATOM 0 HG3 ARG A 45 7.011 -10.518 3.770 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.609 -12.948 4.679 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.991 -13.113 4.025 1.00 0.00 H new ATOM 0 HE ARG A 45 8.819 -11.485 2.356 1.00 0.00 H new ATOM 0 HH11 ARG A 45 7.550 -14.686 3.061 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.926 -15.341 1.464 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.311 -12.312 0.250 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.930 -13.991 -0.143 1.00 0.00 H new ATOM 633 N ASP A 46 7.729 -8.460 7.875 1.00 0.00 N ATOM 634 CA ASP A 46 7.800 -8.493 9.325 1.00 0.00 C ATOM 635 C ASP A 46 6.911 -9.622 9.850 1.00 0.00 C ATOM 636 O ASP A 46 6.297 -10.347 9.070 1.00 0.00 O ATOM 637 CB ASP A 46 7.304 -7.178 9.931 1.00 0.00 C ATOM 638 CG ASP A 46 7.894 -5.914 9.304 1.00 0.00 C ATOM 639 OD1 ASP A 46 8.967 -5.442 9.708 1.00 0.00 O ATOM 640 OD2 ASP A 46 7.195 -5.402 8.349 1.00 0.00 O ATOM 0 H ASP A 46 6.926 -7.955 7.499 1.00 0.00 H new ATOM 0 HA ASP A 46 8.841 -8.650 9.608 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.219 -7.139 9.838 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.533 -7.177 10.997 1.00 0.00 H new ATOM 646 N LEU A 47 6.868 -9.733 11.170 1.00 0.00 N ATOM 647 CA LEU A 47 6.055 -10.754 11.809 1.00 0.00 C ATOM 648 C LEU A 47 6.303 -12.100 11.123 1.00 0.00 C ATOM 649 O LEU A 47 7.230 -12.822 11.485 1.00 0.00 O ATOM 650 CB LEU A 47 4.584 -10.335 11.825 1.00 0.00 C ATOM 651 CG LEU A 47 4.221 -9.202 12.787 1.00 0.00 C ATOM 652 CD1 LEU A 47 4.955 -9.359 14.121 1.00 0.00 C ATOM 653 CD2 LEU A 47 4.478 -7.836 12.148 1.00 0.00 C ATOM 0 H LEU A 47 7.383 -9.133 11.814 1.00 0.00 H new ATOM 0 HA LEU A 47 6.341 -10.870 12.854 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.301 -10.033 10.816 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.981 -11.207 12.078 1.00 0.00 H new ATOM 0 HG LEU A 47 3.153 -9.262 12.998 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.679 -8.541 14.786 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.678 -10.308 14.579 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.031 -9.340 13.949 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.212 -7.049 12.853 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.533 -7.749 11.888 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.873 -7.736 11.247 1.00 0.00 H new ATOM 665 N ARG A 48 5.458 -12.395 10.146 1.00 0.00 N ATOM 666 CA ARG A 48 5.548 -13.659 9.436 1.00 0.00 C ATOM 667 C ARG A 48 5.124 -14.812 10.348 1.00 0.00 C ATOM 668 O ARG A 48 5.639 -15.923 10.230 1.00 0.00 O ATOM 669 CB ARG A 48 6.972 -13.910 8.936 1.00 0.00 C ATOM 670 CG ARG A 48 6.966 -14.775 7.675 1.00 0.00 C ATOM 671 CD ARG A 48 8.390 -15.152 7.261 1.00 0.00 C ATOM 672 NE ARG A 48 8.629 -16.589 7.521 1.00 0.00 N ATOM 673 CZ ARG A 48 9.146 -17.074 8.670 1.00 0.00 C ATOM 674 NH1 ARG A 48 9.499 -16.228 9.620 1.00 0.00 N ATOM 675 NH2 ARG A 48 9.299 -18.404 8.844 1.00 0.00 N ATOM 0 H ARG A 48 4.708 -11.780 9.830 1.00 0.00 H new ATOM 0 HA ARG A 48 4.878 -13.605 8.578 1.00 0.00 H new ATOM 0 HB2 ARG A 48 7.460 -12.958 8.726 1.00 0.00 H new ATOM 0 HB3 ARG A 48 7.554 -14.402 9.716 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.384 -15.679 7.853 1.00 0.00 H new ATOM 0 HG3 ARG A 48 6.478 -14.236 6.863 1.00 0.00 H new ATOM 0 HD2 ARG A 48 8.539 -14.936 6.203 1.00 0.00 H new ATOM 0 HD3 ARG A 48 9.110 -14.549 7.814 1.00 0.00 H new ATOM 0 HE ARG A 48 8.388 -17.254 6.786 1.00 0.00 H new ATOM 0 HH11 ARG A 48 9.379 -15.225 9.480 1.00 0.00 H new ATOM 0 HH12 ARG A 48 9.891 -16.578 10.494 1.00 0.00 H new ATOM 0 HH21 ARG A 48 9.023 -19.050 8.104 1.00 0.00 H new ATOM 0 HH22 ARG A 48 9.690 -18.763 9.715 1.00 0.00 H new ATOM 688 N TRP A 49 4.190 -14.508 11.237 1.00 0.00 N ATOM 689 CA TRP A 49 3.708 -15.499 12.184 1.00 0.00 C ATOM 690 C TRP A 49 2.410 -16.090 11.631 1.00 0.00 C ATOM 691 O TRP A 49 1.649 -16.720 12.363 1.00 0.00 O ATOM 692 CB TRP A 49 3.540 -14.889 13.577 1.00 0.00 C ATOM 693 CG TRP A 49 2.671 -13.630 13.605 1.00 0.00 C ATOM 694 CD1 TRP A 49 1.750 -13.244 12.712 1.00 0.00 C ATOM 695 CD2 TRP A 49 2.679 -12.602 14.617 1.00 0.00 C ATOM 696 NE1 TRP A 49 1.166 -12.047 13.073 1.00 0.00 N ATOM 697 CE2 TRP A 49 1.749 -11.644 14.268 1.00 0.00 C ATOM 698 CE3 TRP A 49 3.447 -12.485 15.789 1.00 0.00 C ATOM 699 CZ2 TRP A 49 1.501 -10.501 15.038 1.00 0.00 C ATOM 700 CZ3 TRP A 49 3.186 -11.337 16.547 1.00 0.00 C ATOM 701 CH2 TRP A 49 2.254 -10.363 16.209 1.00 0.00 C ATOM 0 H TRP A 49 3.754 -13.590 11.322 1.00 0.00 H new ATOM 0 HA TRP A 49 4.434 -16.303 12.303 1.00 0.00 H new ATOM 0 HB2 TRP A 49 3.101 -15.636 14.239 1.00 0.00 H new ATOM 0 HB3 TRP A 49 4.524 -14.647 13.978 1.00 0.00 H new ATOM 0 HD1 TRP A 49 1.496 -13.800 11.821 1.00 0.00 H new ATOM 0 HE1 TRP A 49 0.440 -11.550 12.557 1.00 0.00 H new ATOM 0 HE3 TRP A 49 4.180 -13.222 16.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 0.767 -9.765 14.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 3.749 -11.199 17.458 1.00 0.00 H new ATOM 0 HH2 TRP A 49 2.112 -9.504 16.847 1.00 0.00 H new ATOM 712 N TRP A 50 2.199 -15.869 10.341 1.00 0.00 N ATOM 713 CA TRP A 50 0.977 -16.318 9.696 1.00 0.00 C ATOM 714 C TRP A 50 1.359 -16.990 8.376 1.00 0.00 C ATOM 715 O TRP A 50 0.528 -17.121 7.479 1.00 0.00 O ATOM 716 CB TRP A 50 -0.004 -15.158 9.513 1.00 0.00 C ATOM 717 CG TRP A 50 0.495 -14.063 8.568 1.00 0.00 C ATOM 718 CD1 TRP A 50 1.548 -13.251 8.729 1.00 0.00 C ATOM 719 CD2 TRP A 50 -0.086 -13.692 7.300 1.00 0.00 C ATOM 720 NE1 TRP A 50 1.689 -12.387 7.663 1.00 0.00 N ATOM 721 CE2 TRP A 50 0.664 -12.663 6.766 1.00 0.00 C ATOM 722 CE3 TRP A 50 -1.206 -14.208 6.627 1.00 0.00 C ATOM 723 CZ2 TRP A 50 0.374 -12.063 5.535 1.00 0.00 C ATOM 724 CZ3 TRP A 50 -1.482 -13.597 5.398 1.00 0.00 C ATOM 725 CH2 TRP A 50 -0.738 -12.561 4.847 1.00 0.00 C ATOM 0 H TRP A 50 2.853 -15.385 9.726 1.00 0.00 H new ATOM 0 HA TRP A 50 0.456 -17.045 10.320 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -0.947 -15.550 9.132 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -0.213 -14.715 10.487 1.00 0.00 H new ATOM 0 HD1 TRP A 50 2.205 -13.270 9.586 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.412 -11.676 7.553 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -1.806 -15.012 7.026 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 0.976 -11.259 5.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.333 -13.956 4.839 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.017 -12.142 3.892 1.00 0.00 H new ATOM 736 N GLU A 51 2.617 -17.399 8.300 1.00 0.00 N ATOM 737 CA GLU A 51 3.117 -18.060 7.107 1.00 0.00 C ATOM 738 C GLU A 51 4.527 -18.602 7.353 1.00 0.00 C ATOM 739 O GLU A 51 5.262 -18.075 8.186 1.00 0.00 O ATOM 740 CB GLU A 51 3.096 -17.114 5.905 1.00 0.00 C ATOM 741 CG GLU A 51 4.008 -15.908 6.141 1.00 0.00 C ATOM 742 CD GLU A 51 3.765 -14.824 5.089 1.00 0.00 C ATOM 743 OE1 GLU A 51 3.490 -13.668 5.443 1.00 0.00 O ATOM 744 OE2 GLU A 51 3.872 -15.216 3.865 1.00 0.00 O ATOM 0 H GLU A 51 3.304 -17.285 9.045 1.00 0.00 H new ATOM 0 HA GLU A 51 2.460 -18.899 6.878 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.418 -17.649 5.011 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.077 -16.774 5.723 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.829 -15.501 7.136 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.051 -16.224 6.109 1.00 0.00 H new ATOM 752 N LEU A 52 4.862 -19.649 6.611 1.00 0.00 N ATOM 753 CA LEU A 52 6.170 -20.268 6.739 1.00 0.00 C ATOM 754 C LEU A 52 7.150 -19.579 5.787 1.00 0.00 C ATOM 755 O LEU A 52 8.271 -19.253 6.174 1.00 0.00 O ATOM 756 CB LEU A 52 6.068 -21.780 6.529 1.00 0.00 C ATOM 757 CG LEU A 52 5.613 -22.596 7.740 1.00 0.00 C ATOM 758 CD1 LEU A 52 6.697 -22.626 8.820 1.00 0.00 C ATOM 759 CD2 LEU A 52 4.280 -22.077 8.281 1.00 0.00 C ATOM 0 H LEU A 52 4.250 -20.083 5.920 1.00 0.00 H new ATOM 0 HA LEU A 52 6.559 -20.135 7.748 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.375 -21.967 5.709 1.00 0.00 H new ATOM 0 HB3 LEU A 52 7.043 -22.149 6.213 1.00 0.00 H new ATOM 0 HG LEU A 52 5.451 -23.625 7.417 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.348 -23.213 9.670 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.602 -23.078 8.414 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.914 -21.609 9.146 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.979 -22.675 9.142 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.391 -21.036 8.583 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.519 -22.150 7.504 1.00 0.00 H new ATOM 771 N ARG A 53 6.692 -19.378 4.560 1.00 0.00 N ATOM 772 CA ARG A 53 7.515 -18.734 3.551 1.00 0.00 C ATOM 773 C ARG A 53 7.939 -17.341 4.022 1.00 0.00 C ATOM 774 O ARG A 53 7.204 -16.678 4.751 1.00 0.00 O ATOM 775 CB ARG A 53 6.762 -18.609 2.225 1.00 0.00 C ATOM 776 CG ARG A 53 5.597 -17.625 2.345 1.00 0.00 C ATOM 777 CD ARG A 53 4.687 -17.700 1.118 1.00 0.00 C ATOM 778 NE ARG A 53 3.988 -19.003 1.085 1.00 0.00 N ATOM 779 CZ ARG A 53 2.883 -19.288 1.808 1.00 0.00 C ATOM 780 NH1 ARG A 53 2.369 -18.355 2.587 1.00 0.00 N ATOM 781 NH2 ARG A 53 2.314 -20.510 1.736 1.00 0.00 N ATOM 782 OXT ARG A 53 9.092 -16.950 3.596 1.00 0.00 O ATOM 0 H ARG A 53 5.762 -19.650 4.242 1.00 0.00 H new ATOM 0 HA ARG A 53 8.398 -19.354 3.398 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.446 -18.275 1.445 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.387 -19.587 1.922 1.00 0.00 H new ATOM 0 HG2 ARG A 53 5.021 -17.846 3.243 1.00 0.00 H new ATOM 0 HG3 ARG A 53 5.982 -16.611 2.455 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.960 -16.889 1.144 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.276 -17.571 0.210 1.00 0.00 H new ATOM 0 HE ARG A 53 4.364 -19.732 0.478 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.806 -17.435 2.637 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.535 -18.554 3.139 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.718 -21.226 1.133 1.00 0.00 H new ATOM 0 HH22 ARG A 53 1.480 -20.717 2.285 1.00 0.00 H new TER 796 ARG A 53