USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 394 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 10 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 13 SER OG : rot 84:sc= 1.2 USER MOD Single : A 1 ARG N :NH3+ -170:sc= -0.363 (180deg=-0.655) USER MOD Single : A 20 SER OG : rot -8:sc= 1.16 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 62:sc= 1.05 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -2.94! C(o=-2.9!,f=-4.2!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -33:sc= 0.0461 USER MOD Single : A 28 ASN : amide:sc= -0.219 X(o=-0.22,f=-0.096) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.075 USER MOD Single : A 31 HIS : no HD1:sc= -0.114 X(o=-0.11,f=-0.013) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 33:sc= 0.013 USER MOD Single : A 35 TYR OH : rot -72:sc= 1.25 USER MOD Single : A 36 SER OG : rot -123:sc= -0.0185 USER MOD Single : A 41 ASN : amide:sc= -0.331 X(o=-0.33,f=0) USER MOD Single : A 43 ASN : amide:sc= -1.1! C(o=-1.1!,f=-5.5!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.384 X(o=-0.38,f=-0.58) USER MOD Single : A 54 THR OG1 : rot -37:sc= 0.106 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 12.508 -5.718 2.658 1.00 0.00 N ATOM 2 CA ARG A 1 11.081 -5.417 2.418 1.00 0.00 C ATOM 3 C ARG A 1 10.221 -6.437 3.194 1.00 0.00 C ATOM 4 O ARG A 1 10.397 -7.642 3.015 1.00 0.00 O ATOM 5 CB ARG A 1 10.733 -5.440 0.912 1.00 0.00 C ATOM 6 CG ARG A 1 11.896 -5.130 -0.052 1.00 0.00 C ATOM 7 CD ARG A 1 11.635 -5.606 -1.478 1.00 0.00 C ATOM 8 NE ARG A 1 12.621 -5.006 -2.376 1.00 0.00 N ATOM 9 CZ ARG A 1 12.717 -5.186 -3.694 1.00 0.00 C ATOM 10 NH1 ARG A 1 11.965 -6.089 -4.323 1.00 0.00 N ATOM 11 NH2 ARG A 1 13.580 -4.430 -4.360 1.00 0.00 N ATOM 0 H1 ARG A 1 13.094 -4.944 2.284 1.00 0.00 H new ATOM 0 H2 ARG A 1 12.675 -5.816 3.680 1.00 0.00 H new ATOM 0 H3 ARG A 1 12.761 -6.606 2.180 1.00 0.00 H new ATOM 0 HA ARG A 1 10.871 -4.408 2.773 1.00 0.00 H new ATOM 0 HB2 ARG A 1 10.335 -6.424 0.666 1.00 0.00 H new ATOM 0 HB3 ARG A 1 9.935 -4.719 0.732 1.00 0.00 H new ATOM 0 HG2 ARG A 1 12.075 -4.055 -0.061 1.00 0.00 H new ATOM 0 HG3 ARG A 1 12.805 -5.602 0.321 1.00 0.00 H new ATOM 0 HD2 ARG A 1 11.695 -6.693 -1.527 1.00 0.00 H new ATOM 0 HD3 ARG A 1 10.628 -5.328 -1.788 1.00 0.00 H new ATOM 0 HE ARG A 1 13.308 -4.384 -1.949 1.00 0.00 H new ATOM 0 HH11 ARG A 1 11.302 -6.657 -3.796 1.00 0.00 H new ATOM 0 HH12 ARG A 1 12.053 -6.212 -5.332 1.00 0.00 H new ATOM 0 HH21 ARG A 1 14.143 -3.739 -3.863 1.00 0.00 H new ATOM 0 HH22 ARG A 1 13.681 -4.539 -5.369 1.00 0.00 H new ATOM 25 N PRO A 2 9.314 -6.021 4.092 1.00 0.00 N ATOM 26 CA PRO A 2 8.495 -6.942 4.868 1.00 0.00 C ATOM 27 C PRO A 2 7.397 -7.559 4.002 1.00 0.00 C ATOM 28 O PRO A 2 6.709 -6.870 3.243 1.00 0.00 O ATOM 29 CB PRO A 2 7.920 -6.108 6.005 1.00 0.00 C ATOM 30 CG PRO A 2 7.804 -4.718 5.396 1.00 0.00 C ATOM 31 CD PRO A 2 8.985 -4.654 4.423 1.00 0.00 C ATOM 0 HA PRO A 2 9.073 -7.783 5.250 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.951 -6.486 6.331 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.574 -6.112 6.877 1.00 0.00 H new ATOM 0 HG2 PRO A 2 6.852 -4.583 4.882 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.868 -3.940 6.157 1.00 0.00 H new ATOM 0 HD2 PRO A 2 8.721 -4.090 3.528 1.00 0.00 H new ATOM 0 HD3 PRO A 2 9.837 -4.149 4.878 1.00 0.00 H new ATOM 39 N ARG A 3 7.158 -8.857 4.179 1.00 0.00 N ATOM 40 CA ARG A 3 6.164 -9.618 3.417 1.00 0.00 C ATOM 41 C ARG A 3 4.704 -9.175 3.571 1.00 0.00 C ATOM 42 O ARG A 3 3.818 -9.747 2.940 1.00 0.00 O ATOM 43 CB ARG A 3 6.383 -11.125 3.598 1.00 0.00 C ATOM 44 CG ARG A 3 5.700 -11.767 4.809 1.00 0.00 C ATOM 45 CD ARG A 3 5.982 -11.079 6.145 1.00 0.00 C ATOM 46 NE ARG A 3 5.230 -11.733 7.226 1.00 0.00 N ATOM 47 CZ ARG A 3 5.422 -11.570 8.541 1.00 0.00 C ATOM 48 NH1 ARG A 3 6.342 -10.738 9.016 1.00 0.00 N ATOM 49 NH2 ARG A 3 4.664 -12.248 9.390 1.00 0.00 N ATOM 0 H ARG A 3 7.657 -9.421 4.867 1.00 0.00 H new ATOM 0 HA ARG A 3 6.349 -9.371 2.372 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.034 -11.632 2.699 1.00 0.00 H new ATOM 0 HB3 ARG A 3 7.455 -11.309 3.672 1.00 0.00 H new ATOM 0 HG2 ARG A 3 4.623 -11.773 4.640 1.00 0.00 H new ATOM 0 HG3 ARG A 3 6.018 -12.807 4.878 1.00 0.00 H new ATOM 0 HD2 ARG A 3 7.050 -11.115 6.362 1.00 0.00 H new ATOM 0 HD3 ARG A 3 5.705 -10.027 6.085 1.00 0.00 H new ATOM 0 HE ARG A 3 4.488 -12.375 6.946 1.00 0.00 H new ATOM 0 HH11 ARG A 3 6.925 -10.202 8.373 1.00 0.00 H new ATOM 0 HH12 ARG A 3 6.465 -10.635 10.023 1.00 0.00 H new ATOM 0 HH21 ARG A 3 3.947 -12.883 9.039 1.00 0.00 H new ATOM 0 HH22 ARG A 3 4.797 -12.135 10.395 1.00 0.00 H new ATOM 63 N PHE A 4 4.400 -8.227 4.456 1.00 0.00 N ATOM 64 CA PHE A 4 3.033 -7.743 4.614 1.00 0.00 C ATOM 65 C PHE A 4 2.767 -6.582 3.648 1.00 0.00 C ATOM 66 O PHE A 4 1.618 -6.256 3.358 1.00 0.00 O ATOM 67 CB PHE A 4 2.775 -7.352 6.072 1.00 0.00 C ATOM 68 CG PHE A 4 3.527 -6.138 6.572 1.00 0.00 C ATOM 69 CD1 PHE A 4 3.196 -4.855 6.095 1.00 0.00 C ATOM 70 CD2 PHE A 4 4.575 -6.298 7.496 1.00 0.00 C ATOM 71 CE1 PHE A 4 3.996 -3.755 6.453 1.00 0.00 C ATOM 72 CE2 PHE A 4 5.332 -5.184 7.898 1.00 0.00 C ATOM 73 CZ PHE A 4 5.066 -3.918 7.349 1.00 0.00 C ATOM 0 H PHE A 4 5.080 -7.781 5.072 1.00 0.00 H new ATOM 0 HA PHE A 4 2.335 -8.541 4.363 1.00 0.00 H new ATOM 0 HB2 PHE A 4 1.707 -7.171 6.196 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.030 -8.201 6.707 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.334 -4.717 5.459 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.798 -7.276 7.896 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.787 -2.780 6.037 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.118 -5.301 8.629 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.683 -3.072 7.615 1.00 0.00 H new ATOM 83 N CYS A 5 3.827 -5.937 3.164 1.00 0.00 N ATOM 84 CA CYS A 5 3.772 -4.807 2.257 1.00 0.00 C ATOM 85 C CYS A 5 3.546 -5.260 0.822 1.00 0.00 C ATOM 86 O CYS A 5 3.033 -4.507 0.008 1.00 0.00 O ATOM 87 CB CYS A 5 5.129 -4.118 2.411 1.00 0.00 C ATOM 88 SG CYS A 5 5.247 -2.386 1.960 1.00 0.00 S ATOM 0 H CYS A 5 4.782 -6.203 3.406 1.00 0.00 H new ATOM 0 HA CYS A 5 2.943 -4.138 2.488 1.00 0.00 H new ATOM 0 HB2 CYS A 5 5.437 -4.214 3.452 1.00 0.00 H new ATOM 0 HB3 CYS A 5 5.854 -4.670 1.812 1.00 0.00 H new ATOM 93 N GLU A 6 3.892 -6.508 0.513 1.00 0.00 N ATOM 94 CA GLU A 6 3.763 -7.067 -0.832 1.00 0.00 C ATOM 95 C GLU A 6 2.423 -7.772 -1.066 1.00 0.00 C ATOM 96 O GLU A 6 2.267 -8.496 -2.054 1.00 0.00 O ATOM 97 CB GLU A 6 4.999 -7.931 -1.135 1.00 0.00 C ATOM 98 CG GLU A 6 5.151 -9.136 -0.199 1.00 0.00 C ATOM 99 CD GLU A 6 6.531 -9.789 -0.303 1.00 0.00 C ATOM 100 OE1 GLU A 6 7.504 -9.217 0.249 1.00 0.00 O ATOM 101 OE2 GLU A 6 6.620 -10.883 -0.905 1.00 0.00 O ATOM 0 H GLU A 6 4.273 -7.165 1.194 1.00 0.00 H new ATOM 0 HA GLU A 6 3.741 -6.254 -1.557 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.940 -8.286 -2.164 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.892 -7.310 -1.063 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.980 -8.817 0.829 1.00 0.00 H new ATOM 0 HG3 GLU A 6 4.385 -9.874 -0.435 1.00 0.00 H new ATOM 108 N LEU A 7 1.458 -7.606 -0.156 1.00 0.00 N ATOM 109 CA LEU A 7 0.140 -8.222 -0.266 1.00 0.00 C ATOM 110 C LEU A 7 -0.724 -7.467 -1.279 1.00 0.00 C ATOM 111 O LEU A 7 -0.362 -6.389 -1.758 1.00 0.00 O ATOM 112 CB LEU A 7 -0.558 -8.272 1.104 1.00 0.00 C ATOM 113 CG LEU A 7 0.222 -9.022 2.197 1.00 0.00 C ATOM 114 CD1 LEU A 7 -0.632 -9.103 3.459 1.00 0.00 C ATOM 115 CD2 LEU A 7 0.659 -10.436 1.829 1.00 0.00 C ATOM 0 H LEU A 7 1.574 -7.036 0.682 1.00 0.00 H new ATOM 0 HA LEU A 7 0.273 -9.245 -0.618 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.739 -7.252 1.442 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.532 -8.745 0.983 1.00 0.00 H new ATOM 0 HG LEU A 7 1.135 -8.445 2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.083 -9.634 4.237 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.868 -8.096 3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.557 -9.637 3.239 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.201 -10.879 2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.219 -11.041 1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.308 -10.400 0.954 1.00 0.00 H new ATOM 127 N ALA A 8 -1.857 -8.059 -1.642 1.00 0.00 N ATOM 128 CA ALA A 8 -2.805 -7.482 -2.580 1.00 0.00 C ATOM 129 C ALA A 8 -3.932 -6.844 -1.758 1.00 0.00 C ATOM 130 O ALA A 8 -4.586 -7.555 -0.988 1.00 0.00 O ATOM 131 CB ALA A 8 -3.322 -8.553 -3.534 1.00 0.00 C ATOM 0 H ALA A 8 -2.145 -8.970 -1.284 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.335 -6.719 -3.200 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.031 -8.107 -4.231 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -2.487 -8.980 -4.089 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.818 -9.339 -2.964 1.00 0.00 H new ATOM 137 N PRO A 9 -4.147 -5.523 -1.825 1.00 0.00 N ATOM 138 CA PRO A 9 -5.199 -4.865 -1.079 1.00 0.00 C ATOM 139 C PRO A 9 -6.539 -5.158 -1.763 1.00 0.00 C ATOM 140 O PRO A 9 -6.851 -4.569 -2.794 1.00 0.00 O ATOM 141 CB PRO A 9 -4.823 -3.383 -1.074 1.00 0.00 C ATOM 142 CG PRO A 9 -4.049 -3.201 -2.379 1.00 0.00 C ATOM 143 CD PRO A 9 -3.453 -4.577 -2.678 1.00 0.00 C ATOM 0 HA PRO A 9 -5.304 -5.212 -0.051 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -5.707 -2.746 -1.040 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.213 -3.128 -0.208 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.705 -2.871 -3.185 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.269 -2.447 -2.274 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.583 -4.835 -3.729 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.382 -4.587 -2.477 1.00 0.00 H new ATOM 151 N SER A 10 -7.324 -6.061 -1.174 1.00 0.00 N ATOM 152 CA SER A 10 -8.640 -6.491 -1.642 1.00 0.00 C ATOM 153 C SER A 10 -9.674 -5.364 -1.486 1.00 0.00 C ATOM 154 O SER A 10 -10.588 -5.405 -0.653 1.00 0.00 O ATOM 155 CB SER A 10 -9.060 -7.792 -0.934 1.00 0.00 C ATOM 156 OG SER A 10 -10.231 -8.371 -1.489 1.00 0.00 O ATOM 0 H SER A 10 -7.044 -6.535 -0.315 1.00 0.00 H new ATOM 0 HA SER A 10 -8.586 -6.711 -2.708 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.243 -8.511 -0.992 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.229 -7.586 0.123 1.00 0.00 H new ATOM 0 HG SER A 10 -10.451 -9.193 -1.004 1.00 0.00 H new ATOM 162 N ALA A 11 -9.539 -4.335 -2.316 1.00 0.00 N ATOM 163 CA ALA A 11 -10.389 -3.158 -2.382 1.00 0.00 C ATOM 164 C ALA A 11 -11.809 -3.496 -2.880 1.00 0.00 C ATOM 165 O ALA A 11 -12.625 -2.595 -3.090 1.00 0.00 O ATOM 166 CB ALA A 11 -9.718 -2.098 -3.257 1.00 0.00 C ATOM 0 H ALA A 11 -8.785 -4.302 -3.002 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.511 -2.760 -1.375 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.353 -1.214 -3.309 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.754 -1.828 -2.826 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.568 -2.496 -4.261 1.00 0.00 H new ATOM 172 N GLY A 12 -12.074 -4.762 -3.201 1.00 0.00 N ATOM 173 CA GLY A 12 -13.360 -5.232 -3.696 1.00 0.00 C ATOM 174 C GLY A 12 -14.306 -5.643 -2.570 1.00 0.00 C ATOM 175 O GLY A 12 -15.501 -5.810 -2.818 1.00 0.00 O ATOM 0 H GLY A 12 -11.380 -5.505 -3.121 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.827 -4.446 -4.289 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.201 -6.081 -4.361 1.00 0.00 H new ATOM 179 N SER A 13 -13.793 -5.744 -1.340 1.00 0.00 N ATOM 180 CA SER A 13 -14.524 -6.138 -0.143 1.00 0.00 C ATOM 181 C SER A 13 -15.866 -5.409 0.013 1.00 0.00 C ATOM 182 O SER A 13 -16.888 -6.049 0.271 1.00 0.00 O ATOM 183 CB SER A 13 -13.621 -5.918 1.071 1.00 0.00 C ATOM 184 OG SER A 13 -12.426 -6.670 0.964 1.00 0.00 O ATOM 0 H SER A 13 -12.812 -5.543 -1.148 1.00 0.00 H new ATOM 0 HA SER A 13 -14.783 -7.193 -0.231 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.380 -4.859 1.161 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.153 -6.202 1.979 1.00 0.00 H new ATOM 0 HG SER A 13 -11.776 -6.176 0.422 1.00 0.00 H new ATOM 190 N CYS A 14 -15.885 -4.080 -0.089 1.00 0.00 N ATOM 191 CA CYS A 14 -17.083 -3.255 0.022 1.00 0.00 C ATOM 192 C CYS A 14 -16.908 -2.085 -0.931 1.00 0.00 C ATOM 193 O CYS A 14 -15.775 -1.755 -1.300 1.00 0.00 O ATOM 194 CB CYS A 14 -17.290 -2.699 1.441 1.00 0.00 C ATOM 195 SG CYS A 14 -17.010 -3.852 2.803 1.00 0.00 S ATOM 0 H CYS A 14 -15.040 -3.533 -0.256 1.00 0.00 H new ATOM 0 HA CYS A 14 -17.952 -3.869 -0.216 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -16.626 -1.845 1.574 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -18.311 -2.323 1.515 1.00 0.00 H new ATOM 200 N PHE A 15 -18.013 -1.448 -1.310 1.00 0.00 N ATOM 201 CA PHE A 15 -17.938 -0.309 -2.196 1.00 0.00 C ATOM 202 C PHE A 15 -17.769 0.885 -1.278 1.00 0.00 C ATOM 203 O PHE A 15 -18.695 1.262 -0.553 1.00 0.00 O ATOM 204 CB PHE A 15 -19.212 -0.211 -3.048 1.00 0.00 C ATOM 205 CG PHE A 15 -19.337 0.993 -3.978 1.00 0.00 C ATOM 206 CD1 PHE A 15 -19.405 2.320 -3.497 1.00 0.00 C ATOM 207 CD2 PHE A 15 -19.474 0.774 -5.360 1.00 0.00 C ATOM 208 CE1 PHE A 15 -19.552 3.397 -4.386 1.00 0.00 C ATOM 209 CE2 PHE A 15 -19.712 1.840 -6.236 1.00 0.00 C ATOM 210 CZ PHE A 15 -19.734 3.155 -5.754 1.00 0.00 C ATOM 0 H PHE A 15 -18.956 -1.703 -1.017 1.00 0.00 H new ATOM 0 HA PHE A 15 -17.114 -0.377 -2.907 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -19.284 -1.115 -3.653 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -20.069 -0.209 -2.375 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -19.343 2.508 -2.435 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -19.395 -0.230 -5.751 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -19.525 4.411 -4.016 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -19.879 1.648 -7.286 1.00 0.00 H new ATOM 0 HZ PHE A 15 -19.891 3.979 -6.434 1.00 0.00 H new ATOM 220 N ALA A 16 -16.548 1.404 -1.264 1.00 0.00 N ATOM 221 CA ALA A 16 -16.105 2.564 -0.533 1.00 0.00 C ATOM 222 C ALA A 16 -14.979 3.167 -1.373 1.00 0.00 C ATOM 223 O ALA A 16 -14.293 2.437 -2.103 1.00 0.00 O ATOM 224 CB ALA A 16 -15.676 2.184 0.879 1.00 0.00 C ATOM 0 H ALA A 16 -15.792 0.987 -1.807 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.897 3.299 -0.388 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -15.346 3.076 1.411 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.518 1.737 1.407 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.857 1.467 0.830 1.00 0.00 H new ATOM 230 N PHE A 17 -14.775 4.477 -1.274 1.00 0.00 N ATOM 231 CA PHE A 17 -13.741 5.166 -2.027 1.00 0.00 C ATOM 232 C PHE A 17 -12.934 6.095 -1.135 1.00 0.00 C ATOM 233 O PHE A 17 -13.405 7.171 -0.759 1.00 0.00 O ATOM 234 CB PHE A 17 -14.378 5.888 -3.211 1.00 0.00 C ATOM 235 CG PHE A 17 -13.439 6.600 -4.175 1.00 0.00 C ATOM 236 CD1 PHE A 17 -12.042 6.391 -4.162 1.00 0.00 C ATOM 237 CD2 PHE A 17 -13.988 7.506 -5.102 1.00 0.00 C ATOM 238 CE1 PHE A 17 -11.210 7.131 -5.014 1.00 0.00 C ATOM 239 CE2 PHE A 17 -13.153 8.204 -5.992 1.00 0.00 C ATOM 240 CZ PHE A 17 -11.763 8.025 -5.937 1.00 0.00 C ATOM 0 H PHE A 17 -15.324 5.088 -0.669 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.029 4.440 -2.419 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -14.958 5.160 -3.779 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -15.083 6.622 -2.820 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -11.613 5.659 -3.494 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -15.056 7.666 -5.130 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.138 7.010 -4.958 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.582 8.878 -6.718 1.00 0.00 H new ATOM 0 HZ PHE A 17 -11.120 8.577 -6.607 1.00 0.00 H new ATOM 250 N VAL A 18 -11.743 5.650 -0.753 1.00 0.00 N ATOM 251 CA VAL A 18 -10.806 6.391 0.072 1.00 0.00 C ATOM 252 C VAL A 18 -9.419 6.175 -0.540 1.00 0.00 C ATOM 253 O VAL A 18 -8.958 5.033 -0.580 1.00 0.00 O ATOM 254 CB VAL A 18 -10.930 5.980 1.552 1.00 0.00 C ATOM 255 CG1 VAL A 18 -12.230 6.548 2.136 1.00 0.00 C ATOM 256 CG2 VAL A 18 -10.945 4.463 1.772 1.00 0.00 C ATOM 0 H VAL A 18 -11.394 4.730 -1.021 1.00 0.00 H new ATOM 0 HA VAL A 18 -11.016 7.461 0.081 1.00 0.00 H new ATOM 0 HB VAL A 18 -10.046 6.381 2.048 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -12.316 6.257 3.183 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.218 7.635 2.062 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.081 6.156 1.579 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.034 4.251 2.837 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -11.792 4.027 1.243 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.019 4.031 1.393 1.00 0.00 H new ATOM 266 N PRO A 19 -8.737 7.192 -1.087 1.00 0.00 N ATOM 267 CA PRO A 19 -7.421 6.981 -1.663 1.00 0.00 C ATOM 268 C PRO A 19 -6.436 6.593 -0.560 1.00 0.00 C ATOM 269 O PRO A 19 -6.340 7.287 0.456 1.00 0.00 O ATOM 270 CB PRO A 19 -7.051 8.294 -2.356 1.00 0.00 C ATOM 271 CG PRO A 19 -7.849 9.344 -1.588 1.00 0.00 C ATOM 272 CD PRO A 19 -9.108 8.596 -1.151 1.00 0.00 C ATOM 0 HA PRO A 19 -7.399 6.166 -2.386 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.980 8.487 -2.303 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.320 8.279 -3.412 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.291 9.723 -0.732 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.091 10.201 -2.216 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.457 8.952 -0.182 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.921 8.753 -1.860 1.00 0.00 H new ATOM 280 N SER A 20 -5.728 5.479 -0.742 1.00 0.00 N ATOM 281 CA SER A 20 -4.716 4.962 0.177 1.00 0.00 C ATOM 282 C SER A 20 -3.385 4.819 -0.591 1.00 0.00 C ATOM 283 O SER A 20 -3.264 5.338 -1.701 1.00 0.00 O ATOM 284 CB SER A 20 -5.268 3.708 0.821 1.00 0.00 C ATOM 285 OG SER A 20 -4.654 3.284 2.022 1.00 0.00 O ATOM 0 H SER A 20 -5.849 4.889 -1.566 1.00 0.00 H new ATOM 0 HA SER A 20 -4.486 5.632 1.005 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.328 3.866 1.019 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.197 2.895 0.098 1.00 0.00 H new ATOM 0 HG SER A 20 -3.857 3.829 2.192 1.00 0.00 H new ATOM 291 N TYR A 21 -2.336 4.252 0.005 1.00 0.00 N ATOM 292 CA TYR A 21 -1.023 4.071 -0.622 1.00 0.00 C ATOM 293 C TYR A 21 -0.710 2.578 -0.802 1.00 0.00 C ATOM 294 O TYR A 21 -1.002 1.791 0.102 1.00 0.00 O ATOM 295 CB TYR A 21 0.018 4.798 0.222 1.00 0.00 C ATOM 296 CG TYR A 21 0.341 6.222 -0.225 1.00 0.00 C ATOM 297 CD1 TYR A 21 1.340 6.535 -1.188 1.00 0.00 C ATOM 298 CD2 TYR A 21 -0.394 7.267 0.359 1.00 0.00 C ATOM 299 CE1 TYR A 21 1.593 7.870 -1.543 1.00 0.00 C ATOM 300 CE2 TYR A 21 -0.116 8.603 0.038 1.00 0.00 C ATOM 301 CZ TYR A 21 0.895 8.911 -0.902 1.00 0.00 C ATOM 302 OH TYR A 21 1.247 10.194 -1.175 1.00 0.00 O ATOM 0 H TYR A 21 -2.375 3.897 0.960 1.00 0.00 H new ATOM 0 HA TYR A 21 -1.013 4.502 -1.623 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.332 4.829 1.254 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.939 4.215 0.215 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.908 5.741 -1.649 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.181 7.039 1.062 1.00 0.00 H new ATOM 0 HE1 TYR A 21 2.322 8.098 -2.307 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.675 9.398 0.509 1.00 0.00 H new ATOM 0 HH TYR A 21 0.679 10.805 -0.661 1.00 0.00 H new ATOM 312 N TYR A 22 -0.166 2.222 -1.977 1.00 0.00 N ATOM 313 CA TYR A 22 0.223 0.897 -2.465 1.00 0.00 C ATOM 314 C TYR A 22 1.738 0.788 -2.655 1.00 0.00 C ATOM 315 O TYR A 22 2.358 1.681 -3.238 1.00 0.00 O ATOM 316 CB TYR A 22 -0.401 0.702 -3.857 1.00 0.00 C ATOM 317 CG TYR A 22 -0.561 -0.724 -4.322 1.00 0.00 C ATOM 318 CD1 TYR A 22 0.558 -1.481 -4.709 1.00 0.00 C ATOM 319 CD2 TYR A 22 -1.840 -1.283 -4.427 1.00 0.00 C ATOM 320 CE1 TYR A 22 0.417 -2.814 -5.128 1.00 0.00 C ATOM 321 CE2 TYR A 22 -2.003 -2.581 -4.925 1.00 0.00 C ATOM 322 CZ TYR A 22 -0.879 -3.364 -5.267 1.00 0.00 C ATOM 323 OH TYR A 22 -1.074 -4.605 -5.781 1.00 0.00 O ATOM 0 H TYR A 22 0.031 2.934 -2.680 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.110 0.158 -1.737 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.383 1.176 -3.862 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.213 1.233 -4.585 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.540 -1.032 -4.684 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.704 -0.711 -4.123 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.290 -3.413 -5.342 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.996 -2.987 -5.049 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.033 -4.806 -5.795 1.00 0.00 H new ATOM 333 N TYR A 23 2.333 -0.305 -2.205 1.00 0.00 N ATOM 334 CA TYR A 23 3.772 -0.546 -2.337 1.00 0.00 C ATOM 335 C TYR A 23 4.099 -1.242 -3.664 1.00 0.00 C ATOM 336 O TYR A 23 3.507 -2.276 -3.969 1.00 0.00 O ATOM 337 CB TYR A 23 4.238 -1.421 -1.183 1.00 0.00 C ATOM 338 CG TYR A 23 5.680 -1.874 -1.299 1.00 0.00 C ATOM 339 CD1 TYR A 23 6.713 -0.925 -1.386 1.00 0.00 C ATOM 340 CD2 TYR A 23 5.990 -3.246 -1.298 1.00 0.00 C ATOM 341 CE1 TYR A 23 8.048 -1.339 -1.444 1.00 0.00 C ATOM 342 CE2 TYR A 23 7.328 -3.668 -1.345 1.00 0.00 C ATOM 343 CZ TYR A 23 8.360 -2.712 -1.459 1.00 0.00 C ATOM 344 OH TYR A 23 9.651 -3.107 -1.580 1.00 0.00 O ATOM 0 H TYR A 23 1.833 -1.059 -1.734 1.00 0.00 H new ATOM 0 HA TYR A 23 4.286 0.415 -2.319 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.114 -0.871 -0.250 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.595 -2.299 -1.123 1.00 0.00 H new ATOM 0 HD1 TYR A 23 6.475 0.128 -1.408 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.196 -3.977 -1.261 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.840 -0.605 -1.477 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.567 -4.720 -1.294 1.00 0.00 H new ATOM 0 HH TYR A 23 10.166 -2.781 -0.813 1.00 0.00 H new ATOM 354 N ASN A 24 5.040 -0.708 -4.451 1.00 0.00 N ATOM 355 CA ASN A 24 5.440 -1.271 -5.738 1.00 0.00 C ATOM 356 C ASN A 24 6.886 -1.743 -5.670 1.00 0.00 C ATOM 357 O ASN A 24 7.803 -1.004 -6.033 1.00 0.00 O ATOM 358 CB ASN A 24 5.299 -0.261 -6.888 1.00 0.00 C ATOM 359 CG ASN A 24 3.853 0.057 -7.245 1.00 0.00 C ATOM 360 OD1 ASN A 24 3.220 0.920 -6.634 1.00 0.00 O ATOM 361 ND2 ASN A 24 3.304 -0.603 -8.250 1.00 0.00 N ATOM 0 H ASN A 24 5.550 0.140 -4.205 1.00 0.00 H new ATOM 0 HA ASN A 24 4.772 -2.108 -5.941 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.809 0.663 -6.614 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.804 -0.654 -7.770 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.344 -0.401 -8.529 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.840 -1.315 -8.746 1.00 0.00 H new ATOM 368 N GLN A 25 7.113 -2.977 -5.223 1.00 0.00 N ATOM 369 CA GLN A 25 8.451 -3.566 -5.138 1.00 0.00 C ATOM 370 C GLN A 25 9.114 -3.576 -6.528 1.00 0.00 C ATOM 371 O GLN A 25 10.309 -3.293 -6.614 1.00 0.00 O ATOM 372 CB GLN A 25 8.419 -4.965 -4.487 1.00 0.00 C ATOM 373 CG GLN A 25 7.765 -6.091 -5.303 1.00 0.00 C ATOM 374 CD GLN A 25 6.371 -5.707 -5.775 1.00 0.00 C ATOM 375 OE1 GLN A 25 6.141 -5.499 -6.949 1.00 0.00 O ATOM 376 NE2 GLN A 25 5.442 -5.433 -4.882 1.00 0.00 N ATOM 0 H GLN A 25 6.370 -3.601 -4.907 1.00 0.00 H new ATOM 0 HA GLN A 25 9.063 -2.946 -4.483 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.444 -5.259 -4.262 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.894 -4.885 -3.535 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.389 -6.326 -6.165 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.708 -6.994 -4.696 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.620 -5.602 -3.892 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.544 -5.052 -5.181 1.00 0.00 H new ATOM 385 N TYR A 26 8.351 -3.797 -7.614 1.00 0.00 N ATOM 386 CA TYR A 26 8.876 -3.810 -8.979 1.00 0.00 C ATOM 387 C TYR A 26 9.470 -2.459 -9.370 1.00 0.00 C ATOM 388 O TYR A 26 10.302 -2.410 -10.273 1.00 0.00 O ATOM 389 CB TYR A 26 7.795 -4.165 -10.015 1.00 0.00 C ATOM 390 CG TYR A 26 7.139 -5.526 -9.880 1.00 0.00 C ATOM 391 CD1 TYR A 26 7.917 -6.698 -9.789 1.00 0.00 C ATOM 392 CD2 TYR A 26 5.735 -5.619 -9.833 1.00 0.00 C ATOM 393 CE1 TYR A 26 7.298 -7.943 -9.569 1.00 0.00 C ATOM 394 CE2 TYR A 26 5.115 -6.854 -9.583 1.00 0.00 C ATOM 395 CZ TYR A 26 5.895 -8.017 -9.413 1.00 0.00 C ATOM 396 OH TYR A 26 5.302 -9.198 -9.095 1.00 0.00 O ATOM 0 H TYR A 26 7.347 -3.972 -7.562 1.00 0.00 H new ATOM 0 HA TYR A 26 9.652 -4.575 -8.984 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.015 -3.405 -9.966 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.241 -4.100 -11.007 1.00 0.00 H new ATOM 0 HD1 TYR A 26 8.991 -6.641 -9.888 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.132 -4.737 -9.990 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.895 -8.842 -9.519 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.038 -6.914 -9.521 1.00 0.00 H new ATOM 0 HH TYR A 26 4.333 -9.069 -9.025 1.00 0.00 H new ATOM 406 N SER A 27 9.061 -1.388 -8.688 1.00 0.00 N ATOM 407 CA SER A 27 9.528 -0.024 -8.936 1.00 0.00 C ATOM 408 C SER A 27 10.314 0.511 -7.723 1.00 0.00 C ATOM 409 O SER A 27 10.747 1.661 -7.735 1.00 0.00 O ATOM 410 CB SER A 27 8.282 0.801 -9.306 1.00 0.00 C ATOM 411 OG SER A 27 8.518 2.125 -9.755 1.00 0.00 O ATOM 0 H SER A 27 8.380 -1.447 -7.931 1.00 0.00 H new ATOM 0 HA SER A 27 10.240 0.033 -9.760 1.00 0.00 H new ATOM 0 HB2 SER A 27 7.737 0.267 -10.084 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.630 0.846 -8.434 1.00 0.00 H new ATOM 0 HG SER A 27 9.303 2.491 -9.297 1.00 0.00 H new ATOM 417 N ASN A 28 10.541 -0.314 -6.687 1.00 0.00 N ATOM 418 CA ASN A 28 11.234 0.001 -5.439 1.00 0.00 C ATOM 419 C ASN A 28 10.815 1.376 -4.918 1.00 0.00 C ATOM 420 O ASN A 28 11.633 2.210 -4.546 1.00 0.00 O ATOM 421 CB ASN A 28 12.748 -0.193 -5.579 1.00 0.00 C ATOM 422 CG ASN A 28 13.494 -0.094 -4.254 1.00 0.00 C ATOM 423 OD1 ASN A 28 14.462 0.644 -4.123 1.00 0.00 O ATOM 424 ND2 ASN A 28 13.124 -0.882 -3.251 1.00 0.00 N ATOM 0 H ASN A 28 10.221 -1.282 -6.707 1.00 0.00 H new ATOM 0 HA ASN A 28 10.929 -0.708 -4.670 1.00 0.00 H new ATOM 0 HB2 ASN A 28 12.942 -1.168 -6.025 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.141 0.556 -6.266 1.00 0.00 H new ATOM 0 HD21 ASN A 28 13.646 -0.871 -2.375 1.00 0.00 H new ATOM 0 HD22 ASN A 28 12.318 -1.498 -3.357 1.00 0.00 H new ATOM 431 N THR A 29 9.512 1.635 -4.954 1.00 0.00 N ATOM 432 CA THR A 29 8.906 2.864 -4.492 1.00 0.00 C ATOM 433 C THR A 29 7.460 2.527 -4.131 1.00 0.00 C ATOM 434 O THR A 29 7.096 1.348 -4.012 1.00 0.00 O ATOM 435 CB THR A 29 9.114 4.018 -5.494 1.00 0.00 C ATOM 436 OG1 THR A 29 8.870 5.232 -4.815 1.00 0.00 O ATOM 437 CG2 THR A 29 8.241 3.955 -6.746 1.00 0.00 C ATOM 0 H THR A 29 8.832 0.968 -5.319 1.00 0.00 H new ATOM 0 HA THR A 29 9.386 3.258 -3.596 1.00 0.00 H new ATOM 0 HB THR A 29 10.139 3.936 -5.856 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.998 5.983 -5.432 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.461 4.809 -7.387 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.448 3.032 -7.288 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.190 3.979 -6.458 1.00 0.00 H new ATOM 445 N CYS A 30 6.635 3.539 -3.895 1.00 0.00 N ATOM 446 CA CYS A 30 5.259 3.358 -3.537 1.00 0.00 C ATOM 447 C CYS A 30 4.433 4.402 -4.277 1.00 0.00 C ATOM 448 O CYS A 30 4.964 5.442 -4.663 1.00 0.00 O ATOM 449 CB CYS A 30 5.164 3.483 -2.023 1.00 0.00 C ATOM 450 SG CYS A 30 6.530 2.941 -0.979 1.00 0.00 S ATOM 0 H CYS A 30 6.920 4.517 -3.951 1.00 0.00 H new ATOM 0 HA CYS A 30 4.870 2.380 -3.820 1.00 0.00 H new ATOM 0 HB2 CYS A 30 4.982 4.534 -1.797 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.278 2.931 -1.708 1.00 0.00 H new ATOM 455 N HIS A 31 3.143 4.144 -4.483 1.00 0.00 N ATOM 456 CA HIS A 31 2.272 5.060 -5.193 1.00 0.00 C ATOM 457 C HIS A 31 0.872 5.041 -4.601 1.00 0.00 C ATOM 458 O HIS A 31 0.421 4.010 -4.098 1.00 0.00 O ATOM 459 CB HIS A 31 2.247 4.633 -6.667 1.00 0.00 C ATOM 460 CG HIS A 31 1.808 5.735 -7.583 1.00 0.00 C ATOM 461 ND1 HIS A 31 0.815 5.681 -8.532 1.00 0.00 N ATOM 462 CD2 HIS A 31 2.342 6.989 -7.598 1.00 0.00 C ATOM 463 CE1 HIS A 31 0.750 6.886 -9.121 1.00 0.00 C ATOM 464 NE2 HIS A 31 1.646 7.727 -8.567 1.00 0.00 N ATOM 0 H HIS A 31 2.679 3.295 -4.161 1.00 0.00 H new ATOM 0 HA HIS A 31 2.644 6.081 -5.103 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.242 4.297 -6.960 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.576 3.782 -6.783 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.151 7.348 -6.979 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.076 7.145 -9.924 1.00 0.00 H new ATOM 0 HE2 HIS A 31 1.790 8.708 -8.806 1.00 0.00 H new ATOM 472 N SER A 32 0.171 6.173 -4.646 1.00 0.00 N ATOM 473 CA SER A 32 -1.179 6.233 -4.116 1.00 0.00 C ATOM 474 C SER A 32 -2.109 5.419 -5.024 1.00 0.00 C ATOM 475 O SER A 32 -1.907 5.344 -6.242 1.00 0.00 O ATOM 476 CB SER A 32 -1.615 7.688 -3.947 1.00 0.00 C ATOM 477 OG SER A 32 -1.504 8.388 -5.167 1.00 0.00 O ATOM 0 H SER A 32 0.515 7.048 -5.040 1.00 0.00 H new ATOM 0 HA SER A 32 -1.224 5.787 -3.122 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.645 7.725 -3.593 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.000 8.171 -3.188 1.00 0.00 H new ATOM 0 HG SER A 32 -1.789 9.317 -5.038 1.00 0.00 H new ATOM 483 N PHE A 33 -3.119 4.783 -4.443 1.00 0.00 N ATOM 484 CA PHE A 33 -4.118 3.974 -5.137 1.00 0.00 C ATOM 485 C PHE A 33 -5.480 4.144 -4.451 1.00 0.00 C ATOM 486 O PHE A 33 -5.615 4.920 -3.507 1.00 0.00 O ATOM 487 CB PHE A 33 -3.674 2.509 -5.249 1.00 0.00 C ATOM 488 CG PHE A 33 -4.015 1.659 -4.046 1.00 0.00 C ATOM 489 CD1 PHE A 33 -3.392 1.899 -2.812 1.00 0.00 C ATOM 490 CD2 PHE A 33 -4.964 0.627 -4.158 1.00 0.00 C ATOM 491 CE1 PHE A 33 -3.735 1.136 -1.697 1.00 0.00 C ATOM 492 CE2 PHE A 33 -5.330 -0.123 -3.030 1.00 0.00 C ATOM 493 CZ PHE A 33 -4.727 0.153 -1.796 1.00 0.00 C ATOM 0 H PHE A 33 -3.272 4.817 -3.435 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.221 4.325 -6.164 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.136 2.069 -6.132 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.596 2.480 -5.405 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.646 2.675 -2.726 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.413 0.411 -5.116 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.234 1.303 -0.755 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -6.070 -0.906 -3.112 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.029 -0.396 -0.916 1.00 0.00 H new ATOM 503 N THR A 34 -6.515 3.475 -4.947 1.00 0.00 N ATOM 504 CA THR A 34 -7.865 3.563 -4.391 1.00 0.00 C ATOM 505 C THR A 34 -8.112 2.426 -3.395 1.00 0.00 C ATOM 506 O THR A 34 -7.828 1.273 -3.711 1.00 0.00 O ATOM 507 CB THR A 34 -8.877 3.566 -5.550 1.00 0.00 C ATOM 508 OG1 THR A 34 -8.644 2.497 -6.451 1.00 0.00 O ATOM 509 CG2 THR A 34 -8.770 4.867 -6.346 1.00 0.00 C ATOM 0 H THR A 34 -6.443 2.852 -5.751 1.00 0.00 H new ATOM 0 HA THR A 34 -7.985 4.491 -3.831 1.00 0.00 H new ATOM 0 HB THR A 34 -9.866 3.461 -5.103 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.291 1.726 -5.960 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.492 4.854 -7.163 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.978 5.713 -5.691 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.763 4.963 -6.753 1.00 0.00 H new ATOM 517 N TYR A 35 -8.615 2.716 -2.192 1.00 0.00 N ATOM 518 CA TYR A 35 -8.898 1.705 -1.173 1.00 0.00 C ATOM 519 C TYR A 35 -10.361 1.809 -0.699 1.00 0.00 C ATOM 520 O TYR A 35 -11.038 2.789 -1.021 1.00 0.00 O ATOM 521 CB TYR A 35 -7.865 1.813 -0.057 1.00 0.00 C ATOM 522 CG TYR A 35 -7.951 0.828 1.099 1.00 0.00 C ATOM 523 CD1 TYR A 35 -7.466 -0.501 0.997 1.00 0.00 C ATOM 524 CD2 TYR A 35 -8.419 1.301 2.341 1.00 0.00 C ATOM 525 CE1 TYR A 35 -7.438 -1.321 2.135 1.00 0.00 C ATOM 526 CE2 TYR A 35 -8.402 0.472 3.472 1.00 0.00 C ATOM 527 CZ TYR A 35 -7.916 -0.844 3.374 1.00 0.00 C ATOM 528 OH TYR A 35 -7.832 -1.612 4.485 1.00 0.00 O ATOM 0 H TYR A 35 -8.838 3.666 -1.897 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.803 0.702 -1.588 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.877 1.713 -0.507 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.926 2.819 0.358 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.120 -0.880 0.047 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.794 2.311 2.423 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.048 -2.325 2.062 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.763 0.845 4.419 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.485 -2.341 4.429 1.00 0.00 H new ATOM 538 N SER A 36 -10.835 0.832 0.088 1.00 0.00 N ATOM 539 CA SER A 36 -12.205 0.776 0.607 1.00 0.00 C ATOM 540 C SER A 36 -12.299 1.199 2.078 1.00 0.00 C ATOM 541 O SER A 36 -12.906 2.221 2.376 1.00 0.00 O ATOM 542 CB SER A 36 -12.825 -0.623 0.427 1.00 0.00 C ATOM 543 OG SER A 36 -12.268 -1.309 -0.667 1.00 0.00 O ATOM 0 H SER A 36 -10.262 0.043 0.387 1.00 0.00 H new ATOM 0 HA SER A 36 -12.774 1.494 0.017 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.674 -1.206 1.336 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.901 -0.527 0.285 1.00 0.00 H new ATOM 0 HG SER A 36 -12.981 -1.568 -1.288 1.00 0.00 H new ATOM 549 N GLY A 37 -11.721 0.428 3.007 1.00 0.00 N ATOM 550 CA GLY A 37 -11.760 0.713 4.439 1.00 0.00 C ATOM 551 C GLY A 37 -12.134 -0.531 5.242 1.00 0.00 C ATOM 552 O GLY A 37 -11.384 -0.919 6.140 1.00 0.00 O ATOM 0 H GLY A 37 -11.207 -0.423 2.778 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.787 1.080 4.766 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.482 1.506 4.635 1.00 0.00 H new ATOM 556 N CYS A 38 -13.245 -1.183 4.891 1.00 0.00 N ATOM 557 CA CYS A 38 -13.763 -2.378 5.556 1.00 0.00 C ATOM 558 C CYS A 38 -12.925 -3.642 5.353 1.00 0.00 C ATOM 559 O CYS A 38 -12.957 -4.543 6.190 1.00 0.00 O ATOM 560 CB CYS A 38 -15.151 -2.698 4.974 1.00 0.00 C ATOM 561 SG CYS A 38 -15.104 -3.436 3.306 1.00 0.00 S ATOM 0 H CYS A 38 -13.827 -0.882 4.109 1.00 0.00 H new ATOM 0 HA CYS A 38 -13.763 -2.139 6.620 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -15.668 -3.381 5.648 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -15.739 -1.781 4.938 1.00 0.00 H new ATOM 566 N GLY A 39 -12.219 -3.727 4.225 1.00 0.00 N ATOM 567 CA GLY A 39 -11.419 -4.871 3.848 1.00 0.00 C ATOM 568 C GLY A 39 -10.057 -4.480 3.342 1.00 0.00 C ATOM 569 O GLY A 39 -9.564 -3.391 3.628 1.00 0.00 O ATOM 0 H GLY A 39 -12.194 -2.976 3.536 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.308 -5.532 4.708 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -11.941 -5.437 3.076 1.00 0.00 H new ATOM 573 N GLY A 40 -9.472 -5.363 2.550 1.00 0.00 N ATOM 574 CA GLY A 40 -8.153 -5.209 1.998 1.00 0.00 C ATOM 575 C GLY A 40 -7.168 -6.010 2.845 1.00 0.00 C ATOM 576 O GLY A 40 -7.555 -6.789 3.719 1.00 0.00 O ATOM 0 H GLY A 40 -9.924 -6.233 2.269 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.133 -5.558 0.965 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.870 -4.156 1.985 1.00 0.00 H new ATOM 580 N ASN A 41 -5.882 -5.905 2.521 1.00 0.00 N ATOM 581 CA ASN A 41 -4.806 -6.600 3.234 1.00 0.00 C ATOM 582 C ASN A 41 -3.808 -5.566 3.754 1.00 0.00 C ATOM 583 O ASN A 41 -3.893 -4.387 3.395 1.00 0.00 O ATOM 584 CB ASN A 41 -4.130 -7.652 2.335 1.00 0.00 C ATOM 585 CG ASN A 41 -4.931 -8.926 2.070 1.00 0.00 C ATOM 586 OD1 ASN A 41 -4.405 -9.863 1.481 1.00 0.00 O ATOM 587 ND2 ASN A 41 -6.185 -9.039 2.487 1.00 0.00 N ATOM 0 H ASN A 41 -5.551 -5.329 1.747 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.222 -7.143 4.082 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.899 -7.187 1.377 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.180 -7.933 2.790 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.703 -9.901 2.317 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.631 -8.264 2.978 1.00 0.00 H new ATOM 594 N ALA A 42 -2.784 -6.031 4.477 1.00 0.00 N ATOM 595 CA ALA A 42 -1.746 -5.220 5.094 1.00 0.00 C ATOM 596 C ALA A 42 -0.973 -4.292 4.151 1.00 0.00 C ATOM 597 O ALA A 42 -0.282 -3.412 4.665 1.00 0.00 O ATOM 598 CB ALA A 42 -0.800 -6.124 5.875 1.00 0.00 C ATOM 0 H ALA A 42 -2.656 -7.028 4.652 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.266 -4.531 5.760 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.020 -5.520 6.339 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.358 -6.653 6.648 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.345 -6.846 5.197 1.00 0.00 H new ATOM 604 N ASN A 43 -1.082 -4.438 2.816 1.00 0.00 N ATOM 605 CA ASN A 43 -0.408 -3.518 1.890 1.00 0.00 C ATOM 606 C ASN A 43 -0.983 -2.093 2.070 1.00 0.00 C ATOM 607 O ASN A 43 -0.365 -1.117 1.647 1.00 0.00 O ATOM 608 CB ASN A 43 -0.526 -3.979 0.421 1.00 0.00 C ATOM 609 CG ASN A 43 0.165 -3.064 -0.613 1.00 0.00 C ATOM 610 OD1 ASN A 43 1.104 -2.329 -0.333 1.00 0.00 O ATOM 611 ND2 ASN A 43 -0.265 -3.085 -1.861 1.00 0.00 N ATOM 0 H ASN A 43 -1.623 -5.175 2.363 1.00 0.00 H new ATOM 0 HA ASN A 43 0.655 -3.514 2.130 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -0.103 -4.980 0.336 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.583 -4.056 0.165 1.00 0.00 H new ATOM 0 HD21 ASN A 43 0.183 -2.498 -2.565 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -1.045 -3.688 -2.121 1.00 0.00 H new ATOM 618 N ARG A 44 -2.074 -1.915 2.826 1.00 0.00 N ATOM 619 CA ARG A 44 -2.676 -0.620 3.029 1.00 0.00 C ATOM 620 C ARG A 44 -1.814 0.283 3.904 1.00 0.00 C ATOM 621 O ARG A 44 -1.542 -0.050 5.058 1.00 0.00 O ATOM 622 CB ARG A 44 -4.020 -0.824 3.750 1.00 0.00 C ATOM 623 CG ARG A 44 -4.741 0.518 3.800 1.00 0.00 C ATOM 624 CD ARG A 44 -5.135 1.153 5.100 1.00 0.00 C ATOM 625 NE ARG A 44 -5.906 2.340 4.709 1.00 0.00 N ATOM 626 CZ ARG A 44 -6.940 2.850 5.384 1.00 0.00 C ATOM 627 NH1 ARG A 44 -7.427 2.214 6.444 1.00 0.00 N ATOM 628 NH2 ARG A 44 -7.490 3.987 4.976 1.00 0.00 N ATOM 0 H ARG A 44 -2.554 -2.675 3.308 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.794 -0.147 2.054 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.626 -1.562 3.224 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.857 -1.206 4.758 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.109 1.236 3.277 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.653 0.409 3.213 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.732 0.474 5.709 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.260 1.425 5.691 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.629 2.815 3.850 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.011 1.333 6.745 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.217 2.607 6.956 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.123 4.465 4.153 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.280 4.383 5.486 1.00 0.00 H new ATOM 642 N PHE A 45 -1.430 1.438 3.351 1.00 0.00 N ATOM 643 CA PHE A 45 -0.628 2.456 4.021 1.00 0.00 C ATOM 644 C PHE A 45 -1.288 3.821 3.830 1.00 0.00 C ATOM 645 O PHE A 45 -2.283 3.958 3.112 1.00 0.00 O ATOM 646 CB PHE A 45 0.855 2.393 3.614 1.00 0.00 C ATOM 647 CG PHE A 45 1.671 1.572 4.595 1.00 0.00 C ATOM 648 CD1 PHE A 45 1.493 0.179 4.655 1.00 0.00 C ATOM 649 CD2 PHE A 45 2.542 2.199 5.508 1.00 0.00 C ATOM 650 CE1 PHE A 45 2.143 -0.581 5.636 1.00 0.00 C ATOM 651 CE2 PHE A 45 3.208 1.435 6.484 1.00 0.00 C ATOM 652 CZ PHE A 45 3.004 0.045 6.554 1.00 0.00 C ATOM 0 H PHE A 45 -1.678 1.694 2.395 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.605 2.261 5.093 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.941 1.960 2.617 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.261 3.403 3.559 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.849 -0.310 3.938 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.698 3.266 5.459 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.983 -1.648 5.687 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.877 1.917 7.181 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.507 -0.539 7.310 1.00 0.00 H new ATOM 662 N ARG A 46 -0.742 4.845 4.493 1.00 0.00 N ATOM 663 CA ARG A 46 -1.263 6.213 4.472 1.00 0.00 C ATOM 664 C ARG A 46 -0.343 7.229 3.810 1.00 0.00 C ATOM 665 O ARG A 46 -0.784 8.348 3.559 1.00 0.00 O ATOM 666 CB ARG A 46 -1.681 6.633 5.897 1.00 0.00 C ATOM 667 CG ARG A 46 -0.804 6.133 7.066 1.00 0.00 C ATOM 668 CD ARG A 46 0.687 6.470 6.980 1.00 0.00 C ATOM 669 NE ARG A 46 0.921 7.923 6.918 1.00 0.00 N ATOM 670 CZ ARG A 46 1.377 8.686 7.919 1.00 0.00 C ATOM 671 NH1 ARG A 46 1.654 8.165 9.108 1.00 0.00 N ATOM 672 NH2 ARG A 46 1.561 9.984 7.725 1.00 0.00 N ATOM 0 H ARG A 46 0.092 4.743 5.071 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.144 6.206 3.830 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.705 7.722 5.935 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.700 6.285 6.066 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.197 6.550 7.993 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.908 5.050 7.134 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.203 6.056 7.846 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.116 5.996 6.097 1.00 0.00 H new ATOM 0 HE ARG A 46 0.718 8.389 6.034 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.520 7.167 9.271 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.001 8.763 9.858 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.355 10.398 6.816 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.908 10.569 8.485 1.00 0.00 H new ATOM 686 N THR A 47 0.925 6.891 3.589 1.00 0.00 N ATOM 687 CA THR A 47 1.869 7.773 2.929 1.00 0.00 C ATOM 688 C THR A 47 3.038 6.969 2.390 1.00 0.00 C ATOM 689 O THR A 47 3.374 5.911 2.937 1.00 0.00 O ATOM 690 CB THR A 47 2.341 8.908 3.852 1.00 0.00 C ATOM 691 OG1 THR A 47 3.023 9.867 3.080 1.00 0.00 O ATOM 692 CG2 THR A 47 3.289 8.407 4.940 1.00 0.00 C ATOM 0 H THR A 47 1.323 5.993 3.866 1.00 0.00 H new ATOM 0 HA THR A 47 1.359 8.250 2.092 1.00 0.00 H new ATOM 0 HB THR A 47 1.460 9.333 4.334 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.327 10.597 3.659 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.597 9.243 5.568 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.780 7.662 5.551 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.168 7.958 4.478 1.00 0.00 H new ATOM 700 N ILE A 48 3.650 7.499 1.334 1.00 0.00 N ATOM 701 CA ILE A 48 4.816 6.919 0.702 1.00 0.00 C ATOM 702 C ILE A 48 5.991 7.050 1.681 1.00 0.00 C ATOM 703 O ILE A 48 6.890 6.223 1.647 1.00 0.00 O ATOM 704 CB ILE A 48 5.102 7.588 -0.666 1.00 0.00 C ATOM 705 CG1 ILE A 48 6.456 7.086 -1.221 1.00 0.00 C ATOM 706 CG2 ILE A 48 5.008 9.130 -0.629 1.00 0.00 C ATOM 707 CD1 ILE A 48 6.746 7.538 -2.654 1.00 0.00 C ATOM 0 H ILE A 48 3.337 8.362 0.890 1.00 0.00 H new ATOM 0 HA ILE A 48 4.650 5.864 0.482 1.00 0.00 H new ATOM 0 HB ILE A 48 4.312 7.285 -1.353 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.257 7.438 -0.571 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.471 5.997 -1.184 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.220 9.531 -1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.004 9.426 -0.325 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.734 9.522 0.084 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.712 7.146 -2.971 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.967 7.164 -3.318 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.765 8.627 -2.695 1.00 0.00 H new ATOM 719 N ASP A 49 5.979 8.026 2.594 1.00 0.00 N ATOM 720 CA ASP A 49 7.058 8.235 3.560 1.00 0.00 C ATOM 721 C ASP A 49 7.205 7.030 4.487 1.00 0.00 C ATOM 722 O ASP A 49 8.313 6.634 4.834 1.00 0.00 O ATOM 723 CB ASP A 49 6.822 9.508 4.392 1.00 0.00 C ATOM 724 CG ASP A 49 8.116 10.209 4.818 1.00 0.00 C ATOM 725 OD1 ASP A 49 9.217 9.634 4.674 1.00 0.00 O ATOM 726 OD2 ASP A 49 8.038 11.359 5.315 1.00 0.00 O ATOM 0 H ASP A 49 5.215 8.696 2.683 1.00 0.00 H new ATOM 0 HA ASP A 49 7.981 8.357 2.994 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.215 10.204 3.813 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.248 9.250 5.282 1.00 0.00 H new ATOM 731 N GLU A 50 6.079 6.451 4.916 1.00 0.00 N ATOM 732 CA GLU A 50 6.046 5.304 5.801 1.00 0.00 C ATOM 733 C GLU A 50 6.304 4.057 4.974 1.00 0.00 C ATOM 734 O GLU A 50 7.056 3.182 5.394 1.00 0.00 O ATOM 735 CB GLU A 50 4.685 5.199 6.492 1.00 0.00 C ATOM 736 CG GLU A 50 4.461 6.279 7.559 1.00 0.00 C ATOM 737 CD GLU A 50 5.552 6.287 8.628 1.00 0.00 C ATOM 738 OE1 GLU A 50 5.728 5.250 9.307 1.00 0.00 O ATOM 739 OE2 GLU A 50 6.210 7.336 8.799 1.00 0.00 O ATOM 0 H GLU A 50 5.152 6.780 4.647 1.00 0.00 H new ATOM 0 HA GLU A 50 6.809 5.412 6.572 1.00 0.00 H new ATOM 0 HB2 GLU A 50 3.898 5.271 5.742 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.595 4.216 6.955 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.422 7.256 7.078 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.493 6.119 8.035 1.00 0.00 H new ATOM 746 N CYS A 51 5.704 3.991 3.785 1.00 0.00 N ATOM 747 CA CYS A 51 5.878 2.859 2.907 1.00 0.00 C ATOM 748 C CYS A 51 7.336 2.670 2.494 1.00 0.00 C ATOM 749 O CYS A 51 7.859 1.558 2.513 1.00 0.00 O ATOM 750 CB CYS A 51 5.036 3.050 1.648 1.00 0.00 C ATOM 751 SG CYS A 51 5.455 1.859 0.354 1.00 0.00 S ATOM 0 H CYS A 51 5.092 4.719 3.416 1.00 0.00 H new ATOM 0 HA CYS A 51 5.559 1.973 3.456 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.980 2.951 1.901 1.00 0.00 H new ATOM 0 HB3 CYS A 51 5.179 4.061 1.268 1.00 0.00 H new ATOM 756 N ASN A 52 7.996 3.748 2.079 1.00 0.00 N ATOM 757 CA ASN A 52 9.366 3.674 1.625 1.00 0.00 C ATOM 758 C ASN A 52 10.264 3.331 2.794 1.00 0.00 C ATOM 759 O ASN A 52 10.986 2.337 2.744 1.00 0.00 O ATOM 760 CB ASN A 52 9.777 4.888 0.777 1.00 0.00 C ATOM 761 CG ASN A 52 10.389 6.039 1.546 1.00 0.00 C ATOM 762 OD1 ASN A 52 11.520 5.974 2.026 1.00 0.00 O ATOM 763 ND2 ASN A 52 9.650 7.120 1.660 1.00 0.00 N ATOM 0 H ASN A 52 7.594 4.685 2.051 1.00 0.00 H new ATOM 0 HA ASN A 52 9.482 2.856 0.914 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.490 4.558 0.022 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.898 5.254 0.247 1.00 0.00 H new ATOM 0 HD21 ASN A 52 10.011 7.934 2.157 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.716 7.144 1.251 1.00 0.00 H new ATOM 770 N ARG A 53 10.132 4.055 3.900 1.00 0.00 N ATOM 771 CA ARG A 53 10.955 3.773 5.075 1.00 0.00 C ATOM 772 C ARG A 53 10.783 2.335 5.578 1.00 0.00 C ATOM 773 O ARG A 53 11.748 1.747 6.059 1.00 0.00 O ATOM 774 CB ARG A 53 10.766 4.839 6.165 1.00 0.00 C ATOM 775 CG ARG A 53 9.568 4.610 7.097 1.00 0.00 C ATOM 776 CD ARG A 53 9.330 5.749 8.096 1.00 0.00 C ATOM 777 NE ARG A 53 9.340 7.059 7.442 1.00 0.00 N ATOM 778 CZ ARG A 53 9.555 8.222 8.051 1.00 0.00 C ATOM 779 NH1 ARG A 53 9.542 8.306 9.376 1.00 0.00 N ATOM 780 NH2 ARG A 53 9.776 9.301 7.318 1.00 0.00 N ATOM 0 H ARG A 53 9.476 4.828 4.010 1.00 0.00 H new ATOM 0 HA ARG A 53 11.999 3.840 4.769 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.673 4.885 6.768 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.653 5.811 5.685 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.671 4.477 6.493 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.722 3.682 7.649 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.373 5.600 8.596 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.100 5.722 8.867 1.00 0.00 H new ATOM 0 HE ARG A 53 9.168 7.082 6.437 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.366 7.473 9.938 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.708 9.203 9.832 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.780 9.234 6.300 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.942 10.200 7.771 1.00 0.00 H new ATOM 794 N THR A 54 9.601 1.733 5.413 1.00 0.00 N ATOM 795 CA THR A 54 9.349 0.379 5.877 1.00 0.00 C ATOM 796 C THR A 54 9.479 -0.729 4.826 1.00 0.00 C ATOM 797 O THR A 54 9.543 -1.876 5.261 1.00 0.00 O ATOM 798 CB THR A 54 7.993 0.342 6.602 1.00 0.00 C ATOM 799 OG1 THR A 54 8.009 -0.708 7.549 1.00 0.00 O ATOM 800 CG2 THR A 54 6.785 0.163 5.671 1.00 0.00 C ATOM 0 H THR A 54 8.802 2.173 4.957 1.00 0.00 H new ATOM 0 HA THR A 54 10.157 0.140 6.569 1.00 0.00 H new ATOM 0 HB THR A 54 7.869 1.315 7.077 1.00 0.00 H new ATOM 0 HG1 THR A 54 8.499 -1.473 7.181 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.869 0.147 6.262 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.746 0.991 4.963 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.881 -0.776 5.126 1.00 0.00 H new ATOM 808 N CYS A 55 9.539 -0.465 3.512 1.00 0.00 N ATOM 809 CA CYS A 55 9.626 -1.509 2.486 1.00 0.00 C ATOM 810 C CYS A 55 10.545 -1.196 1.310 1.00 0.00 C ATOM 811 O CYS A 55 10.839 -2.101 0.535 1.00 0.00 O ATOM 812 CB CYS A 55 8.233 -1.773 1.891 1.00 0.00 C ATOM 813 SG CYS A 55 6.852 -1.826 3.047 1.00 0.00 S ATOM 0 H CYS A 55 9.528 0.482 3.133 1.00 0.00 H new ATOM 0 HA CYS A 55 10.043 -2.367 3.013 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.027 -0.999 1.151 1.00 0.00 H new ATOM 0 HB3 CYS A 55 8.266 -2.723 1.358 1.00 0.00 H new ATOM 818 N VAL A 56 10.931 0.051 1.078 1.00 0.00 N ATOM 819 CA VAL A 56 11.820 0.401 -0.027 1.00 0.00 C ATOM 820 C VAL A 56 13.239 0.141 0.477 1.00 0.00 C ATOM 821 O VAL A 56 13.880 1.015 1.062 1.00 0.00 O ATOM 822 CB VAL A 56 11.524 1.830 -0.506 1.00 0.00 C ATOM 823 CG1 VAL A 56 12.554 2.446 -1.444 1.00 0.00 C ATOM 824 CG2 VAL A 56 10.167 1.832 -1.227 1.00 0.00 C ATOM 0 H VAL A 56 10.640 0.847 1.646 1.00 0.00 H new ATOM 0 HA VAL A 56 11.673 -0.202 -0.923 1.00 0.00 H new ATOM 0 HB VAL A 56 11.541 2.442 0.396 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.241 3.454 -1.716 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.522 2.489 -0.944 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.637 1.836 -2.344 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.941 2.840 -1.574 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.207 1.155 -2.080 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.389 1.502 -0.539 1.00 0.00 H new ATOM 834 N GLY A 57 13.714 -1.079 0.227 1.00 0.00 N ATOM 835 CA GLY A 57 15.025 -1.559 0.620 1.00 0.00 C ATOM 836 C GLY A 57 14.850 -2.575 1.725 1.00 0.00 C ATOM 837 O GLY A 57 15.510 -2.409 2.770 1.00 0.00 O ATOM 0 H GLY A 57 13.170 -1.781 -0.274 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.535 -2.009 -0.232 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.645 -0.730 0.962 1.00 0.00 H new