USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 446 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 43 GLN : amide:sc= -11! C(o=-16!,f=-9.5!) USER MOD Set 1.2: A 53 GLN : amide:sc= -4.8! K(o=-16!,f=-5) USER MOD Set 2.1: A 27 THR OG1 : rot 180:sc= -0.621 USER MOD Set 2.2: A 37 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 1 PHE N :NH3+ -159:sc= -1.29 (180deg=0) USER MOD Set 3.2: A 4 GLN : amide:sc= -5.16! C(o=-8.5!,f=-7.2!) USER MOD Set 3.3: A 10 HIS : no HD1:sc= -2.02! C(o=-8.5!,f=-19!) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 5 HIS : no HD1:sc= -3.36! K(o=-3.4!,f=0.77) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 0:sc= -0.271 USER MOD Single : A 30 THR OG1 : rot 46:sc= 0.00766 USER MOD Single : A 34 SER OG : rot 180:sc= -0.0754 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0.00116 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -1.05 X(o=-1.1,f=-1.2!) USER MOD Single : A 57 TYR OH : rot -72:sc= 0.02 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 6.211 -15.242 9.535 1.00 0.00 N ATOM 2 CA PHE A 1 5.175 -14.306 10.055 1.00 0.00 C ATOM 3 C PHE A 1 5.398 -14.102 11.555 1.00 0.00 C ATOM 4 O PHE A 1 4.631 -14.559 12.380 1.00 0.00 O ATOM 5 CB PHE A 1 3.785 -14.901 9.788 1.00 0.00 C ATOM 6 CG PHE A 1 2.695 -14.208 10.597 1.00 0.00 C ATOM 7 CD1 PHE A 1 1.525 -14.918 10.893 1.00 0.00 C ATOM 8 CD2 PHE A 1 2.827 -12.873 11.035 1.00 0.00 C ATOM 9 CE1 PHE A 1 0.494 -14.310 11.616 1.00 0.00 C ATOM 10 CE2 PHE A 1 1.794 -12.271 11.763 1.00 0.00 C ATOM 11 CZ PHE A 1 0.630 -12.989 12.052 1.00 0.00 C ATOM 0 H1 PHE A 1 6.305 -15.120 8.506 1.00 0.00 H new ATOM 0 H2 PHE A 1 7.123 -15.039 9.992 1.00 0.00 H new ATOM 0 H3 PHE A 1 5.930 -16.221 9.743 1.00 0.00 H new ATOM 0 HA PHE A 1 5.245 -13.340 9.554 1.00 0.00 H new ATOM 0 HB2 PHE A 1 3.555 -14.818 8.726 1.00 0.00 H new ATOM 0 HB3 PHE A 1 3.794 -15.964 10.030 1.00 0.00 H new ATOM 0 HD1 PHE A 1 1.418 -15.940 10.561 1.00 0.00 H new ATOM 0 HD2 PHE A 1 3.724 -12.316 10.809 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -0.408 -14.861 11.838 1.00 0.00 H new ATOM 0 HE2 PHE A 1 1.896 -11.251 12.102 1.00 0.00 H new ATOM 0 HZ PHE A 1 -0.166 -12.522 12.613 1.00 0.00 H new ATOM 23 N VAL A 2 6.450 -13.413 11.908 1.00 0.00 N ATOM 24 CA VAL A 2 6.751 -13.161 13.349 1.00 0.00 C ATOM 25 C VAL A 2 7.365 -11.766 13.487 1.00 0.00 C ATOM 26 O VAL A 2 6.700 -10.763 13.319 1.00 0.00 O ATOM 27 CB VAL A 2 7.748 -14.215 13.851 1.00 0.00 C ATOM 28 CG1 VAL A 2 7.009 -15.511 14.177 1.00 0.00 C ATOM 29 CG2 VAL A 2 8.787 -14.487 12.760 1.00 0.00 C ATOM 0 H VAL A 2 7.121 -13.010 11.254 1.00 0.00 H new ATOM 0 HA VAL A 2 5.836 -13.222 13.939 1.00 0.00 H new ATOM 0 HB VAL A 2 8.242 -13.845 14.749 1.00 0.00 H new ATOM 0 HG11 VAL A 2 7.721 -16.256 14.533 1.00 0.00 H new ATOM 0 HG12 VAL A 2 6.265 -15.321 14.951 1.00 0.00 H new ATOM 0 HG13 VAL A 2 6.513 -15.882 13.280 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.497 -15.235 13.112 1.00 0.00 H new ATOM 0 HG22 VAL A 2 8.286 -14.855 11.865 1.00 0.00 H new ATOM 0 HG23 VAL A 2 9.318 -13.565 12.525 1.00 0.00 H new ATOM 39 N ASN A 3 8.631 -11.697 13.786 1.00 0.00 N ATOM 40 CA ASN A 3 9.292 -10.370 13.931 1.00 0.00 C ATOM 41 C ASN A 3 9.404 -9.703 12.557 1.00 0.00 C ATOM 42 O ASN A 3 10.484 -9.532 12.027 1.00 0.00 O ATOM 43 CB ASN A 3 10.691 -10.558 14.520 1.00 0.00 C ATOM 44 CG ASN A 3 10.589 -11.294 15.857 1.00 0.00 C ATOM 45 OD1 ASN A 3 9.703 -11.027 16.644 1.00 0.00 O ATOM 46 ND2 ASN A 3 11.465 -12.216 16.149 1.00 0.00 N ATOM 0 H ASN A 3 9.238 -12.503 13.937 1.00 0.00 H new ATOM 0 HA ASN A 3 8.700 -9.740 14.595 1.00 0.00 H new ATOM 0 HB2 ASN A 3 11.315 -11.124 13.828 1.00 0.00 H new ATOM 0 HB3 ASN A 3 11.170 -9.589 14.662 1.00 0.00 H new ATOM 0 HD21 ASN A 3 11.406 -12.712 17.038 1.00 0.00 H new ATOM 0 HD22 ASN A 3 12.209 -12.440 15.488 1.00 0.00 H new ATOM 53 N GLN A 4 8.296 -9.323 11.974 1.00 0.00 N ATOM 54 CA GLN A 4 8.341 -8.665 10.633 1.00 0.00 C ATOM 55 C GLN A 4 7.129 -7.744 10.473 1.00 0.00 C ATOM 56 O GLN A 4 6.034 -8.063 10.889 1.00 0.00 O ATOM 57 CB GLN A 4 8.319 -9.731 9.537 1.00 0.00 C ATOM 58 CG GLN A 4 7.232 -10.761 9.845 1.00 0.00 C ATOM 59 CD GLN A 4 7.164 -11.781 8.708 1.00 0.00 C ATOM 60 OE1 GLN A 4 6.672 -11.484 7.638 1.00 0.00 O ATOM 61 NE2 GLN A 4 7.641 -12.981 8.896 1.00 0.00 N ATOM 0 H GLN A 4 7.362 -9.440 12.368 1.00 0.00 H new ATOM 0 HA GLN A 4 9.256 -8.079 10.550 1.00 0.00 H new ATOM 0 HB2 GLN A 4 8.131 -9.267 8.569 1.00 0.00 H new ATOM 0 HB3 GLN A 4 9.291 -10.221 9.473 1.00 0.00 H new ATOM 0 HG2 GLN A 4 7.448 -11.264 10.787 1.00 0.00 H new ATOM 0 HG3 GLN A 4 6.268 -10.265 9.962 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.054 -13.231 9.795 1.00 0.00 H new ATOM 0 HE22 GLN A 4 7.601 -13.669 8.144 1.00 0.00 H new ATOM 70 N HIS A 5 7.322 -6.601 9.874 1.00 0.00 N ATOM 71 CA HIS A 5 6.193 -5.653 9.686 1.00 0.00 C ATOM 72 C HIS A 5 5.171 -6.264 8.724 1.00 0.00 C ATOM 73 O HIS A 5 5.493 -7.096 7.898 1.00 0.00 O ATOM 74 CB HIS A 5 6.721 -4.320 9.125 1.00 0.00 C ATOM 75 CG HIS A 5 7.905 -4.568 8.239 1.00 0.00 C ATOM 76 ND1 HIS A 5 7.848 -4.387 6.867 1.00 0.00 N ATOM 77 CD2 HIS A 5 9.193 -4.956 8.516 1.00 0.00 C ATOM 78 CE1 HIS A 5 9.066 -4.660 6.374 1.00 0.00 C ATOM 79 NE2 HIS A 5 9.919 -5.011 7.336 1.00 0.00 N ATOM 0 H HIS A 5 8.219 -6.283 9.506 1.00 0.00 H new ATOM 0 HA HIS A 5 5.711 -5.463 10.645 1.00 0.00 H new ATOM 0 HB2 HIS A 5 5.935 -3.816 8.562 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.002 -3.657 9.944 1.00 0.00 H new ATOM 0 HD2 HIS A 5 9.580 -5.183 9.499 1.00 0.00 H new ATOM 0 HE1 HIS A 5 9.323 -4.602 5.327 1.00 0.00 H new ATOM 0 HE2 HIS A 5 10.900 -5.267 7.227 1.00 0.00 H new ATOM 87 N LEU A 6 3.938 -5.854 8.844 1.00 0.00 N ATOM 88 CA LEU A 6 2.850 -6.392 7.965 1.00 0.00 C ATOM 89 C LEU A 6 2.203 -5.239 7.190 1.00 0.00 C ATOM 90 O LEU A 6 1.604 -4.361 7.774 1.00 0.00 O ATOM 91 CB LEU A 6 1.782 -7.043 8.863 1.00 0.00 C ATOM 92 CG LEU A 6 1.988 -8.563 8.982 1.00 0.00 C ATOM 93 CD1 LEU A 6 3.453 -8.887 9.313 1.00 0.00 C ATOM 94 CD2 LEU A 6 1.098 -9.104 10.103 1.00 0.00 C ATOM 0 H LEU A 6 3.630 -5.158 9.523 1.00 0.00 H new ATOM 0 HA LEU A 6 3.261 -7.119 7.264 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.817 -6.592 9.855 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.791 -6.841 8.455 1.00 0.00 H new ATOM 0 HG LEU A 6 1.728 -9.026 8.030 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.578 -9.967 9.393 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.098 -8.505 8.522 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.724 -8.419 10.260 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.240 -10.181 10.192 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.366 -8.624 11.044 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.054 -8.893 9.872 1.00 0.00 H new ATOM 106 N CYS A 7 2.294 -5.249 5.883 1.00 0.00 N ATOM 107 CA CYS A 7 1.668 -4.161 5.070 1.00 0.00 C ATOM 108 C CYS A 7 0.790 -4.758 3.970 1.00 0.00 C ATOM 109 O CYS A 7 1.229 -5.552 3.162 1.00 0.00 O ATOM 110 CB CYS A 7 2.774 -3.314 4.448 1.00 0.00 C ATOM 111 SG CYS A 7 3.869 -2.725 5.763 1.00 0.00 S ATOM 0 H CYS A 7 2.777 -5.967 5.342 1.00 0.00 H new ATOM 0 HA CYS A 7 1.042 -3.542 5.712 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.337 -3.902 3.723 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.344 -2.470 3.908 1.00 0.00 H new ATOM 116 N GLY A 8 -0.452 -4.356 3.935 1.00 0.00 N ATOM 117 CA GLY A 8 -1.391 -4.859 2.894 1.00 0.00 C ATOM 118 C GLY A 8 -1.551 -6.376 2.984 1.00 0.00 C ATOM 119 O GLY A 8 -1.730 -6.935 4.048 1.00 0.00 O ATOM 0 H GLY A 8 -0.860 -3.692 4.593 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.363 -4.380 3.014 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.022 -4.587 1.905 1.00 0.00 H new ATOM 123 N SER A 9 -1.510 -7.040 1.860 1.00 0.00 N ATOM 124 CA SER A 9 -1.680 -8.522 1.841 1.00 0.00 C ATOM 125 C SER A 9 -0.891 -9.170 2.980 1.00 0.00 C ATOM 126 O SER A 9 -1.314 -10.153 3.554 1.00 0.00 O ATOM 127 CB SER A 9 -1.177 -9.069 0.505 1.00 0.00 C ATOM 128 OG SER A 9 -1.944 -8.506 -0.551 1.00 0.00 O ATOM 0 H SER A 9 -1.364 -6.614 0.945 1.00 0.00 H new ATOM 0 HA SER A 9 -2.737 -8.756 1.969 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.122 -8.827 0.373 1.00 0.00 H new ATOM 0 HB3 SER A 9 -1.259 -10.156 0.490 1.00 0.00 H new ATOM 0 HG SER A 9 -1.623 -8.853 -1.409 1.00 0.00 H new ATOM 134 N HIS A 10 0.250 -8.637 3.317 1.00 0.00 N ATOM 135 CA HIS A 10 1.040 -9.245 4.420 1.00 0.00 C ATOM 136 C HIS A 10 0.205 -9.202 5.701 1.00 0.00 C ATOM 137 O HIS A 10 0.273 -10.087 6.530 1.00 0.00 O ATOM 138 CB HIS A 10 2.345 -8.460 4.614 1.00 0.00 C ATOM 139 CG HIS A 10 3.378 -9.329 5.277 1.00 0.00 C ATOM 140 ND1 HIS A 10 3.055 -10.221 6.288 1.00 0.00 N ATOM 141 CD2 HIS A 10 4.732 -9.460 5.078 1.00 0.00 C ATOM 142 CE1 HIS A 10 4.188 -10.845 6.655 1.00 0.00 C ATOM 143 NE2 HIS A 10 5.234 -10.417 5.949 1.00 0.00 N ATOM 0 H HIS A 10 0.666 -7.814 2.880 1.00 0.00 H new ATOM 0 HA HIS A 10 1.288 -10.279 4.178 1.00 0.00 H new ATOM 0 HB2 HIS A 10 2.716 -8.112 3.650 1.00 0.00 H new ATOM 0 HB3 HIS A 10 2.159 -7.575 5.222 1.00 0.00 H new ATOM 0 HD2 HIS A 10 5.314 -8.905 4.357 1.00 0.00 H new ATOM 0 HE1 HIS A 10 4.243 -11.599 7.426 1.00 0.00 H new ATOM 0 HE2 HIS A 10 6.202 -10.728 6.031 1.00 0.00 H new ATOM 151 N LEU A 11 -0.588 -8.178 5.862 1.00 0.00 N ATOM 152 CA LEU A 11 -1.432 -8.074 7.082 1.00 0.00 C ATOM 153 C LEU A 11 -2.571 -9.076 6.971 1.00 0.00 C ATOM 154 O LEU A 11 -2.825 -9.851 7.873 1.00 0.00 O ATOM 155 CB LEU A 11 -1.978 -6.641 7.198 1.00 0.00 C ATOM 156 CG LEU A 11 -2.828 -6.447 8.468 1.00 0.00 C ATOM 157 CD1 LEU A 11 -2.147 -7.058 9.709 1.00 0.00 C ATOM 158 CD2 LEU A 11 -3.066 -4.939 8.707 1.00 0.00 C ATOM 0 H LEU A 11 -0.687 -7.409 5.199 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.847 -8.296 7.974 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.147 -5.936 7.207 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.581 -6.411 6.320 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.777 -6.960 8.315 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.777 -6.901 10.584 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.001 -8.127 9.554 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.181 -6.579 9.867 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.668 -4.804 9.606 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.108 -4.435 8.832 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.591 -4.513 7.852 1.00 0.00 H new ATOM 170 N VAL A 12 -3.242 -9.083 5.863 1.00 0.00 N ATOM 171 CA VAL A 12 -4.348 -10.053 5.675 1.00 0.00 C ATOM 172 C VAL A 12 -3.780 -11.460 5.800 1.00 0.00 C ATOM 173 O VAL A 12 -4.156 -12.225 6.665 1.00 0.00 O ATOM 174 CB VAL A 12 -4.942 -9.858 4.271 1.00 0.00 C ATOM 175 CG1 VAL A 12 -5.763 -11.100 3.825 1.00 0.00 C ATOM 176 CG2 VAL A 12 -5.825 -8.612 4.289 1.00 0.00 C ATOM 0 H VAL A 12 -3.073 -8.457 5.075 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.126 -9.901 6.423 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.132 -9.734 3.553 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.169 -10.929 2.828 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.116 -11.977 3.808 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.581 -11.266 4.526 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.256 -8.457 3.300 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.625 -8.744 5.017 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.225 -7.745 4.563 1.00 0.00 H new ATOM 186 N GLU A 13 -2.880 -11.800 4.927 1.00 0.00 N ATOM 187 CA GLU A 13 -2.273 -13.155 4.962 1.00 0.00 C ATOM 188 C GLU A 13 -1.907 -13.527 6.397 1.00 0.00 C ATOM 189 O GLU A 13 -1.904 -14.681 6.750 1.00 0.00 O ATOM 190 CB GLU A 13 -1.018 -13.174 4.089 1.00 0.00 C ATOM 191 CG GLU A 13 -1.413 -12.914 2.633 1.00 0.00 C ATOM 192 CD GLU A 13 -0.182 -12.485 1.832 1.00 0.00 C ATOM 193 OE1 GLU A 13 0.189 -13.207 0.920 1.00 0.00 O ATOM 194 OE2 GLU A 13 0.370 -11.443 2.144 1.00 0.00 O ATOM 0 H GLU A 13 -2.535 -11.192 4.184 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.993 -13.880 4.581 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.313 -12.415 4.428 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.515 -14.137 4.175 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.846 -13.814 2.198 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -2.177 -12.138 2.587 1.00 0.00 H new ATOM 201 N ALA A 14 -1.600 -12.565 7.230 1.00 0.00 N ATOM 202 CA ALA A 14 -1.237 -12.890 8.640 1.00 0.00 C ATOM 203 C ALA A 14 -2.512 -13.007 9.490 1.00 0.00 C ATOM 204 O ALA A 14 -2.788 -14.042 10.065 1.00 0.00 O ATOM 205 CB ALA A 14 -0.332 -11.771 9.179 1.00 0.00 C ATOM 0 H ALA A 14 -1.585 -11.573 6.995 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.707 -13.842 8.685 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.056 -11.991 10.210 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.568 -11.705 8.568 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.866 -10.821 9.141 1.00 0.00 H new ATOM 211 N LEU A 15 -3.290 -11.960 9.580 1.00 0.00 N ATOM 212 CA LEU A 15 -4.537 -12.029 10.400 1.00 0.00 C ATOM 213 C LEU A 15 -5.310 -13.300 10.045 1.00 0.00 C ATOM 214 O LEU A 15 -5.914 -13.933 10.888 1.00 0.00 O ATOM 215 CB LEU A 15 -5.428 -10.819 10.096 1.00 0.00 C ATOM 216 CG LEU A 15 -4.893 -9.560 10.814 1.00 0.00 C ATOM 217 CD1 LEU A 15 -5.323 -8.292 10.058 1.00 0.00 C ATOM 218 CD2 LEU A 15 -5.460 -9.498 12.241 1.00 0.00 C ATOM 0 H LEU A 15 -3.118 -11.064 9.124 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.265 -12.034 11.456 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.461 -10.645 9.020 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.449 -11.022 10.418 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.805 -9.615 10.844 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.939 -7.412 10.575 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.924 -8.320 9.044 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -6.411 -8.243 10.018 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.081 -8.609 12.745 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.548 -9.455 12.199 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.154 -10.386 12.793 1.00 0.00 H new ATOM 230 N TYR A 16 -5.300 -13.666 8.797 1.00 0.00 N ATOM 231 CA TYR A 16 -6.036 -14.881 8.368 1.00 0.00 C ATOM 232 C TYR A 16 -5.642 -16.052 9.283 1.00 0.00 C ATOM 233 O TYR A 16 -6.470 -16.847 9.682 1.00 0.00 O ATOM 234 CB TYR A 16 -5.676 -15.155 6.894 1.00 0.00 C ATOM 235 CG TYR A 16 -5.758 -16.634 6.572 1.00 0.00 C ATOM 236 CD1 TYR A 16 -4.675 -17.279 5.961 1.00 0.00 C ATOM 237 CD2 TYR A 16 -6.913 -17.359 6.893 1.00 0.00 C ATOM 238 CE1 TYR A 16 -4.745 -18.644 5.670 1.00 0.00 C ATOM 239 CE2 TYR A 16 -6.983 -18.727 6.601 1.00 0.00 C ATOM 240 CZ TYR A 16 -5.899 -19.369 5.989 1.00 0.00 C ATOM 241 OH TYR A 16 -5.968 -20.717 5.702 1.00 0.00 O ATOM 0 H TYR A 16 -4.810 -13.172 8.051 1.00 0.00 H new ATOM 0 HA TYR A 16 -7.115 -14.749 8.447 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.353 -14.601 6.243 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -4.669 -14.792 6.690 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.784 -16.720 5.714 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.748 -16.864 7.365 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.909 -19.139 5.199 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.873 -19.287 6.848 1.00 0.00 H new ATOM 0 HH TYR A 16 -6.837 -21.069 5.989 1.00 0.00 H new ATOM 251 N LEU A 17 -4.386 -16.155 9.624 1.00 0.00 N ATOM 252 CA LEU A 17 -3.941 -17.263 10.517 1.00 0.00 C ATOM 253 C LEU A 17 -4.307 -16.912 11.957 1.00 0.00 C ATOM 254 O LEU A 17 -4.922 -17.684 12.665 1.00 0.00 O ATOM 255 CB LEU A 17 -2.418 -17.427 10.426 1.00 0.00 C ATOM 256 CG LEU A 17 -2.015 -18.043 9.071 1.00 0.00 C ATOM 257 CD1 LEU A 17 -1.921 -16.949 8.010 1.00 0.00 C ATOM 258 CD2 LEU A 17 -0.644 -18.715 9.200 1.00 0.00 C ATOM 0 H LEU A 17 -3.648 -15.519 9.322 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.427 -18.190 10.212 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.935 -16.457 10.548 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.067 -18.063 11.239 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.767 -18.776 8.781 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.636 -17.391 7.055 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.888 -16.457 7.908 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.171 -16.216 8.308 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.360 -19.150 8.242 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.098 -17.974 9.496 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.693 -19.500 9.954 1.00 0.00 H new ATOM 270 N VAL A 18 -3.928 -15.744 12.388 1.00 0.00 N ATOM 271 CA VAL A 18 -4.240 -15.315 13.780 1.00 0.00 C ATOM 272 C VAL A 18 -5.731 -15.541 14.055 1.00 0.00 C ATOM 273 O VAL A 18 -6.110 -16.182 15.015 1.00 0.00 O ATOM 274 CB VAL A 18 -3.923 -13.823 13.921 1.00 0.00 C ATOM 275 CG1 VAL A 18 -4.058 -13.390 15.376 1.00 0.00 C ATOM 276 CG2 VAL A 18 -2.493 -13.543 13.445 1.00 0.00 C ATOM 0 H VAL A 18 -3.412 -15.062 11.833 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.645 -15.891 14.489 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.629 -13.261 13.309 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.830 -12.328 15.462 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.078 -13.571 15.716 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.363 -13.961 15.992 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.277 -12.480 13.549 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.790 -14.117 14.048 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.394 -13.833 12.399 1.00 0.00 H new ATOM 286 N CYS A 19 -6.572 -15.004 13.218 1.00 0.00 N ATOM 287 CA CYS A 19 -8.041 -15.159 13.409 1.00 0.00 C ATOM 288 C CYS A 19 -8.493 -16.536 12.928 1.00 0.00 C ATOM 289 O CYS A 19 -9.532 -17.028 13.320 1.00 0.00 O ATOM 290 CB CYS A 19 -8.744 -14.079 12.591 1.00 0.00 C ATOM 291 SG CYS A 19 -7.845 -12.535 12.818 1.00 0.00 S ATOM 0 H CYS A 19 -6.302 -14.458 12.400 1.00 0.00 H new ATOM 0 HA CYS A 19 -8.289 -15.062 14.466 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -8.768 -14.355 11.537 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -9.779 -13.969 12.915 1.00 0.00 H new ATOM 296 N GLY A 20 -7.734 -17.158 12.073 1.00 0.00 N ATOM 297 CA GLY A 20 -8.145 -18.493 11.567 1.00 0.00 C ATOM 298 C GLY A 20 -9.556 -18.384 10.991 1.00 0.00 C ATOM 299 O GLY A 20 -9.787 -17.693 10.019 1.00 0.00 O ATOM 0 H GLY A 20 -6.852 -16.802 11.705 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.450 -18.838 10.802 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.121 -19.227 12.373 1.00 0.00 H new ATOM 303 N GLU A 21 -10.505 -19.055 11.583 1.00 0.00 N ATOM 304 CA GLU A 21 -11.904 -18.983 11.069 1.00 0.00 C ATOM 305 C GLU A 21 -12.616 -17.765 11.661 1.00 0.00 C ATOM 306 O GLU A 21 -13.569 -17.262 11.100 1.00 0.00 O ATOM 307 CB GLU A 21 -12.654 -20.258 11.458 1.00 0.00 C ATOM 308 CG GLU A 21 -12.021 -21.456 10.749 1.00 0.00 C ATOM 309 CD GLU A 21 -12.749 -22.737 11.161 1.00 0.00 C ATOM 310 OE1 GLU A 21 -13.225 -22.789 12.283 1.00 0.00 O ATOM 311 OE2 GLU A 21 -12.818 -23.644 10.348 1.00 0.00 O ATOM 0 H GLU A 21 -10.373 -19.650 12.401 1.00 0.00 H new ATOM 0 HA GLU A 21 -11.884 -18.889 9.983 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -12.617 -20.400 12.538 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -13.705 -20.173 11.183 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -12.078 -21.324 9.669 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.964 -21.527 11.006 1.00 0.00 H new ATOM 318 N ARG A 22 -12.170 -17.284 12.789 1.00 0.00 N ATOM 319 CA ARG A 22 -12.838 -16.100 13.401 1.00 0.00 C ATOM 320 C ARG A 22 -12.880 -14.964 12.380 1.00 0.00 C ATOM 321 O ARG A 22 -13.847 -14.233 12.290 1.00 0.00 O ATOM 322 CB ARG A 22 -12.058 -15.645 14.637 1.00 0.00 C ATOM 323 CG ARG A 22 -12.148 -16.718 15.727 1.00 0.00 C ATOM 324 CD ARG A 22 -11.704 -16.129 17.068 1.00 0.00 C ATOM 325 NE ARG A 22 -11.957 -17.121 18.151 1.00 0.00 N ATOM 326 CZ ARG A 22 -11.403 -16.964 19.322 1.00 0.00 C ATOM 327 NH1 ARG A 22 -11.624 -17.832 20.270 1.00 0.00 N ATOM 328 NH2 ARG A 22 -10.629 -15.938 19.545 1.00 0.00 N ATOM 0 H ARG A 22 -11.377 -17.657 13.311 1.00 0.00 H new ATOM 0 HA ARG A 22 -13.852 -16.369 13.697 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -11.015 -15.465 14.375 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.461 -14.702 15.007 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.170 -17.089 15.802 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -11.519 -17.569 15.466 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -10.645 -15.874 17.033 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.248 -15.206 17.270 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.563 -17.923 17.977 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -12.230 -18.634 20.096 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.191 -17.709 21.185 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -10.457 -15.258 18.804 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.196 -15.815 20.460 1.00 0.00 H new ATOM 342 N GLY A 23 -11.844 -14.815 11.604 1.00 0.00 N ATOM 343 CA GLY A 23 -11.832 -13.731 10.582 1.00 0.00 C ATOM 344 C GLY A 23 -11.603 -12.373 11.255 1.00 0.00 C ATOM 345 O GLY A 23 -11.747 -12.226 12.450 1.00 0.00 O ATOM 0 H GLY A 23 -11.006 -15.396 11.632 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -11.047 -13.920 9.850 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.777 -13.722 10.040 1.00 0.00 H new ATOM 349 N PHE A 24 -11.256 -11.381 10.478 1.00 0.00 N ATOM 350 CA PHE A 24 -11.017 -10.008 11.021 1.00 0.00 C ATOM 351 C PHE A 24 -11.613 -9.008 10.030 1.00 0.00 C ATOM 352 O PHE A 24 -12.048 -9.384 8.960 1.00 0.00 O ATOM 353 CB PHE A 24 -9.519 -9.755 11.145 1.00 0.00 C ATOM 354 CG PHE A 24 -8.874 -10.011 9.810 1.00 0.00 C ATOM 355 CD1 PHE A 24 -8.730 -11.326 9.345 1.00 0.00 C ATOM 356 CD2 PHE A 24 -8.432 -8.936 9.032 1.00 0.00 C ATOM 357 CE1 PHE A 24 -8.144 -11.564 8.100 1.00 0.00 C ATOM 358 CE2 PHE A 24 -7.842 -9.177 7.785 1.00 0.00 C ATOM 359 CZ PHE A 24 -7.702 -10.491 7.323 1.00 0.00 C ATOM 0 H PHE A 24 -11.125 -11.465 9.470 1.00 0.00 H new ATOM 0 HA PHE A 24 -11.475 -9.904 12.005 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.334 -8.729 11.463 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -9.087 -10.407 11.904 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.072 -12.154 9.949 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -8.545 -7.924 9.392 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -8.033 -12.576 7.739 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.496 -8.351 7.181 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.249 -10.676 6.360 1.00 0.00 H new ATOM 369 N PHE A 25 -11.642 -7.745 10.368 1.00 0.00 N ATOM 370 CA PHE A 25 -12.215 -6.722 9.443 1.00 0.00 C ATOM 371 C PHE A 25 -11.085 -5.822 8.916 1.00 0.00 C ATOM 372 O PHE A 25 -10.342 -5.242 9.682 1.00 0.00 O ATOM 373 CB PHE A 25 -13.235 -5.897 10.233 1.00 0.00 C ATOM 374 CG PHE A 25 -12.515 -4.906 11.118 1.00 0.00 C ATOM 375 CD1 PHE A 25 -12.435 -3.571 10.733 1.00 0.00 C ATOM 376 CD2 PHE A 25 -11.920 -5.328 12.310 1.00 0.00 C ATOM 377 CE1 PHE A 25 -11.759 -2.646 11.536 1.00 0.00 C ATOM 378 CE2 PHE A 25 -11.244 -4.406 13.116 1.00 0.00 C ATOM 379 CZ PHE A 25 -11.164 -3.064 12.729 1.00 0.00 C ATOM 0 H PHE A 25 -11.291 -7.376 11.252 1.00 0.00 H new ATOM 0 HA PHE A 25 -12.702 -7.195 8.590 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -13.900 -5.371 9.548 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -13.858 -6.555 10.839 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -12.896 -3.248 9.811 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -11.982 -6.364 12.608 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -11.697 -1.611 11.234 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -10.784 -4.730 14.038 1.00 0.00 H new ATOM 0 HZ PHE A 25 -10.643 -2.352 13.352 1.00 0.00 H new ATOM 389 N TYR A 26 -10.949 -5.698 7.620 1.00 0.00 N ATOM 390 CA TYR A 26 -9.863 -4.830 7.060 1.00 0.00 C ATOM 391 C TYR A 26 -10.413 -3.414 6.845 1.00 0.00 C ATOM 392 O TYR A 26 -11.608 -3.208 6.771 1.00 0.00 O ATOM 393 CB TYR A 26 -9.366 -5.424 5.724 1.00 0.00 C ATOM 394 CG TYR A 26 -7.914 -5.047 5.481 1.00 0.00 C ATOM 395 CD1 TYR A 26 -6.925 -5.466 6.379 1.00 0.00 C ATOM 396 CD2 TYR A 26 -7.555 -4.291 4.355 1.00 0.00 C ATOM 397 CE1 TYR A 26 -5.586 -5.131 6.157 1.00 0.00 C ATOM 398 CE2 TYR A 26 -6.210 -3.955 4.137 1.00 0.00 C ATOM 399 CZ TYR A 26 -5.228 -4.376 5.038 1.00 0.00 C ATOM 400 OH TYR A 26 -3.905 -4.047 4.821 1.00 0.00 O ATOM 0 H TYR A 26 -11.539 -6.157 6.926 1.00 0.00 H new ATOM 0 HA TYR A 26 -9.025 -4.785 7.755 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.468 -6.509 5.741 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -9.985 -5.059 4.904 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -7.197 -6.050 7.246 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.313 -3.968 3.657 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.827 -5.457 6.852 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.933 -3.370 3.272 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.353 -4.418 5.541 1.00 0.00 H new ATOM 410 N THR A 27 -9.548 -2.438 6.761 1.00 0.00 N ATOM 411 CA THR A 27 -10.010 -1.030 6.569 1.00 0.00 C ATOM 412 C THR A 27 -11.125 -0.988 5.492 1.00 0.00 C ATOM 413 O THR A 27 -11.081 -1.770 4.570 1.00 0.00 O ATOM 414 CB THR A 27 -8.820 -0.174 6.110 1.00 0.00 C ATOM 415 OG1 THR A 27 -9.251 1.157 5.869 1.00 0.00 O ATOM 416 CG2 THR A 27 -8.230 -0.754 4.824 1.00 0.00 C ATOM 0 H THR A 27 -8.536 -2.555 6.817 1.00 0.00 H new ATOM 0 HA THR A 27 -10.406 -0.642 7.507 1.00 0.00 H new ATOM 0 HB THR A 27 -8.060 -0.175 6.891 1.00 0.00 H new ATOM 0 HG1 THR A 27 -8.489 1.700 5.578 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.386 -0.143 4.503 1.00 0.00 H new ATOM 0 HG22 THR A 27 -7.891 -1.774 5.007 1.00 0.00 H new ATOM 0 HG23 THR A 27 -8.992 -0.759 4.044 1.00 0.00 H new ATOM 424 N PRO A 28 -12.094 -0.089 5.618 1.00 0.00 N ATOM 425 CA PRO A 28 -13.185 0.021 4.622 1.00 0.00 C ATOM 426 C PRO A 28 -12.636 0.557 3.289 1.00 0.00 C ATOM 427 O PRO A 28 -13.371 1.083 2.478 1.00 0.00 O ATOM 428 CB PRO A 28 -14.183 1.027 5.236 1.00 0.00 C ATOM 429 CG PRO A 28 -13.486 1.672 6.464 1.00 0.00 C ATOM 430 CD PRO A 28 -12.206 0.858 6.746 1.00 0.00 C ATOM 0 HA PRO A 28 -13.650 -0.942 4.411 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -14.460 1.788 4.507 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.102 0.523 5.536 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -13.241 2.715 6.263 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.147 1.661 7.331 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.332 1.506 6.804 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.276 0.331 7.697 1.00 0.00 H new ATOM 438 N ARG A 29 -11.360 0.429 3.065 1.00 0.00 N ATOM 439 CA ARG A 29 -10.748 0.921 1.794 1.00 0.00 C ATOM 440 C ARG A 29 -10.881 2.441 1.693 1.00 0.00 C ATOM 441 O ARG A 29 -10.187 3.085 0.931 1.00 0.00 O ATOM 442 CB ARG A 29 -11.439 0.259 0.598 1.00 0.00 C ATOM 443 CG ARG A 29 -11.673 -1.229 0.884 1.00 0.00 C ATOM 444 CD ARG A 29 -10.389 -1.862 1.425 1.00 0.00 C ATOM 445 NE ARG A 29 -9.229 -1.395 0.616 1.00 0.00 N ATOM 446 CZ ARG A 29 -8.022 -1.492 1.095 1.00 0.00 C ATOM 447 NH1 ARG A 29 -7.003 -1.105 0.378 1.00 0.00 N ATOM 448 NH2 ARG A 29 -7.834 -1.967 2.294 1.00 0.00 N ATOM 0 H ARG A 29 -10.703 -0.001 3.716 1.00 0.00 H new ATOM 0 HA ARG A 29 -9.689 0.661 1.790 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -12.390 0.753 0.398 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -10.826 0.374 -0.296 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.480 -1.347 1.607 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.985 -1.739 -0.027 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.250 -1.591 2.471 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -10.461 -2.949 1.384 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.380 -1.000 -0.312 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.152 -0.727 -0.557 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.057 -1.181 0.753 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.632 -2.262 2.856 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.889 -2.043 2.670 1.00 0.00 H new ATOM 462 N THR A 30 -11.759 3.020 2.455 1.00 0.00 N ATOM 463 CA THR A 30 -11.932 4.500 2.407 1.00 0.00 C ATOM 464 C THR A 30 -10.562 5.175 2.523 1.00 0.00 C ATOM 465 O THR A 30 -10.018 5.314 3.600 1.00 0.00 O ATOM 466 CB THR A 30 -12.820 4.949 3.570 1.00 0.00 C ATOM 467 OG1 THR A 30 -12.373 4.330 4.769 1.00 0.00 O ATOM 468 CG2 THR A 30 -14.270 4.546 3.294 1.00 0.00 C ATOM 0 H THR A 30 -12.368 2.534 3.113 1.00 0.00 H new ATOM 0 HA THR A 30 -12.400 4.781 1.464 1.00 0.00 H new ATOM 0 HB THR A 30 -12.762 6.032 3.676 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.398 4.406 4.833 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.901 4.866 4.123 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.611 5.021 2.374 1.00 0.00 H new ATOM 0 HG23 THR A 30 -14.333 3.463 3.188 1.00 0.00 H new ATOM 476 N GLU A 31 -10.000 5.591 1.421 1.00 0.00 N ATOM 477 CA GLU A 31 -8.665 6.252 1.469 1.00 0.00 C ATOM 478 C GLU A 31 -8.772 7.575 2.231 1.00 0.00 C ATOM 479 O GLU A 31 -7.780 8.210 2.530 1.00 0.00 O ATOM 480 CB GLU A 31 -8.180 6.522 0.043 1.00 0.00 C ATOM 481 CG GLU A 31 -8.333 5.253 -0.797 1.00 0.00 C ATOM 482 CD GLU A 31 -7.567 5.414 -2.112 1.00 0.00 C ATOM 483 OE1 GLU A 31 -6.647 4.645 -2.336 1.00 0.00 O ATOM 484 OE2 GLU A 31 -7.914 6.303 -2.872 1.00 0.00 O ATOM 0 H GLU A 31 -10.407 5.502 0.490 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.956 5.599 1.978 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.755 7.335 -0.400 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.137 6.839 0.056 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.954 4.392 -0.246 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.387 5.063 -0.999 1.00 0.00 H new ATOM 491 N GLU A 32 -9.965 7.997 2.548 1.00 0.00 N ATOM 492 CA GLU A 32 -10.127 9.279 3.291 1.00 0.00 C ATOM 493 C GLU A 32 -9.503 9.148 4.680 1.00 0.00 C ATOM 494 O GLU A 32 -9.077 10.117 5.276 1.00 0.00 O ATOM 495 CB GLU A 32 -11.614 9.607 3.429 1.00 0.00 C ATOM 496 CG GLU A 32 -12.288 9.526 2.058 1.00 0.00 C ATOM 497 CD GLU A 32 -11.602 10.492 1.090 1.00 0.00 C ATOM 498 OE1 GLU A 32 -11.386 10.106 -0.046 1.00 0.00 O ATOM 499 OE2 GLU A 32 -11.306 11.601 1.502 1.00 0.00 O ATOM 0 H GLU A 32 -10.833 7.511 2.325 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.629 10.079 2.743 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.088 8.910 4.120 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.739 10.605 3.848 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.231 8.508 1.673 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.346 9.774 2.146 1.00 0.00 H new ATOM 506 N GLY A 33 -9.446 7.955 5.198 1.00 0.00 N ATOM 507 CA GLY A 33 -8.849 7.752 6.550 1.00 0.00 C ATOM 508 C GLY A 33 -9.883 8.092 7.625 1.00 0.00 C ATOM 509 O GLY A 33 -10.818 8.831 7.391 1.00 0.00 O ATOM 0 H GLY A 33 -9.787 7.108 4.744 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.520 6.719 6.662 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.967 8.382 6.667 1.00 0.00 H new ATOM 513 N SER A 34 -9.722 7.556 8.806 1.00 0.00 N ATOM 514 CA SER A 34 -10.693 7.844 9.900 1.00 0.00 C ATOM 515 C SER A 34 -10.004 7.645 11.253 1.00 0.00 C ATOM 516 O SER A 34 -8.925 8.153 11.487 1.00 0.00 O ATOM 517 CB SER A 34 -11.881 6.890 9.785 1.00 0.00 C ATOM 518 OG SER A 34 -12.798 7.150 10.839 1.00 0.00 O ATOM 0 H SER A 34 -8.958 6.930 9.060 1.00 0.00 H new ATOM 0 HA SER A 34 -11.044 8.873 9.819 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.372 7.018 8.821 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.538 5.857 9.833 1.00 0.00 H new ATOM 0 HG SER A 34 -13.562 6.540 10.766 1.00 0.00 H new ATOM 524 N ARG A 35 -10.616 6.907 12.145 1.00 0.00 N ATOM 525 CA ARG A 35 -9.996 6.668 13.488 1.00 0.00 C ATOM 526 C ARG A 35 -9.301 5.301 13.487 1.00 0.00 C ATOM 527 O ARG A 35 -8.121 5.195 13.755 1.00 0.00 O ATOM 528 CB ARG A 35 -11.079 6.704 14.589 1.00 0.00 C ATOM 529 CG ARG A 35 -12.405 6.137 14.068 1.00 0.00 C ATOM 530 CD ARG A 35 -13.473 6.236 15.163 1.00 0.00 C ATOM 531 NE ARG A 35 -13.293 5.117 16.130 1.00 0.00 N ATOM 532 CZ ARG A 35 -13.894 5.151 17.288 1.00 0.00 C ATOM 533 NH1 ARG A 35 -13.737 4.170 18.135 1.00 0.00 N ATOM 534 NH2 ARG A 35 -14.653 6.167 17.599 1.00 0.00 N ATOM 0 H ARG A 35 -11.521 6.458 12.002 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.265 7.451 13.691 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -10.746 6.127 15.452 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.225 7.730 14.928 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.725 6.688 13.183 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -12.274 5.098 13.767 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.394 7.193 15.678 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -14.468 6.193 14.721 1.00 0.00 H new ATOM 0 HE ARG A 35 -12.700 4.324 15.887 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.144 3.376 17.892 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.207 4.197 19.040 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -14.776 6.933 16.937 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -15.123 6.194 18.504 1.00 0.00 H new ATOM 548 N ARG A 36 -10.023 4.257 13.190 1.00 0.00 N ATOM 549 CA ARG A 36 -9.405 2.906 13.176 1.00 0.00 C ATOM 550 C ARG A 36 -8.459 2.790 11.980 1.00 0.00 C ATOM 551 O ARG A 36 -7.808 3.742 11.608 1.00 0.00 O ATOM 552 CB ARG A 36 -10.501 1.839 13.071 1.00 0.00 C ATOM 553 CG ARG A 36 -11.506 2.012 14.221 1.00 0.00 C ATOM 554 CD ARG A 36 -12.248 0.695 14.467 1.00 0.00 C ATOM 555 NE ARG A 36 -12.629 0.073 13.155 1.00 0.00 N ATOM 556 CZ ARG A 36 -13.341 0.722 12.271 1.00 0.00 C ATOM 557 NH1 ARG A 36 -13.546 0.200 11.093 1.00 0.00 N ATOM 558 NH2 ARG A 36 -13.899 1.860 12.577 1.00 0.00 N ATOM 0 H ARG A 36 -11.016 4.283 12.956 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.844 2.755 14.098 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.013 1.923 12.112 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.058 0.844 13.109 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.985 2.321 15.127 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -12.218 2.801 13.978 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.616 0.011 15.034 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.140 0.876 15.067 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.325 -0.879 12.948 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.151 -0.712 10.864 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.101 0.704 10.401 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.782 2.250 13.512 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.453 2.360 11.881 1.00 0.00 H new ATOM 572 N SER A 37 -8.391 1.627 11.379 1.00 0.00 N ATOM 573 CA SER A 37 -7.499 1.416 10.197 1.00 0.00 C ATOM 574 C SER A 37 -6.045 1.753 10.550 1.00 0.00 C ATOM 575 O SER A 37 -5.206 0.878 10.633 1.00 0.00 O ATOM 576 CB SER A 37 -7.972 2.284 9.031 1.00 0.00 C ATOM 577 OG SER A 37 -6.907 2.447 8.104 1.00 0.00 O ATOM 0 H SER A 37 -8.923 0.804 11.662 1.00 0.00 H new ATOM 0 HA SER A 37 -7.547 0.367 9.906 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.828 1.820 8.541 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.303 3.256 9.397 1.00 0.00 H new ATOM 0 HG SER A 37 -7.208 3.002 7.354 1.00 0.00 H new ATOM 583 N ARG A 38 -5.731 3.003 10.759 1.00 0.00 N ATOM 584 CA ARG A 38 -4.327 3.358 11.104 1.00 0.00 C ATOM 585 C ARG A 38 -3.930 2.606 12.373 1.00 0.00 C ATOM 586 O ARG A 38 -2.769 2.481 12.702 1.00 0.00 O ATOM 587 CB ARG A 38 -4.214 4.869 11.339 1.00 0.00 C ATOM 588 CG ARG A 38 -4.972 5.262 12.618 1.00 0.00 C ATOM 589 CD ARG A 38 -5.126 6.799 12.703 1.00 0.00 C ATOM 590 NE ARG A 38 -4.766 7.279 14.078 1.00 0.00 N ATOM 591 CZ ARG A 38 -5.234 6.691 15.150 1.00 0.00 C ATOM 592 NH1 ARG A 38 -4.852 7.097 16.330 1.00 0.00 N ATOM 593 NH2 ARG A 38 -6.098 5.719 15.047 1.00 0.00 N ATOM 0 H ARG A 38 -6.381 3.787 10.706 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.663 3.081 10.285 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.166 5.154 11.426 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -4.622 5.409 10.485 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.955 4.791 12.625 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.436 4.895 13.493 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.485 7.278 11.963 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.152 7.083 12.467 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.143 8.080 14.180 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.191 7.870 16.414 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.214 6.642 17.168 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.413 5.412 14.127 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.458 5.266 15.887 1.00 0.00 H new ATOM 607 N GLY A 39 -4.891 2.095 13.086 1.00 0.00 N ATOM 608 CA GLY A 39 -4.573 1.340 14.327 1.00 0.00 C ATOM 609 C GLY A 39 -4.196 -0.094 13.957 1.00 0.00 C ATOM 610 O GLY A 39 -3.474 -0.758 14.673 1.00 0.00 O ATOM 0 H GLY A 39 -5.884 2.167 12.863 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.751 1.820 14.859 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.431 1.342 14.999 1.00 0.00 H new ATOM 614 N ILE A 40 -4.695 -0.583 12.845 1.00 0.00 N ATOM 615 CA ILE A 40 -4.381 -1.984 12.417 1.00 0.00 C ATOM 616 C ILE A 40 -3.307 -1.978 11.301 1.00 0.00 C ATOM 617 O ILE A 40 -2.302 -2.653 11.404 1.00 0.00 O ATOM 618 CB ILE A 40 -5.702 -2.661 11.955 1.00 0.00 C ATOM 619 CG1 ILE A 40 -5.730 -4.192 12.262 1.00 0.00 C ATOM 620 CG2 ILE A 40 -5.968 -2.425 10.462 1.00 0.00 C ATOM 621 CD1 ILE A 40 -4.338 -4.861 12.190 1.00 0.00 C ATOM 0 H ILE A 40 -5.309 -0.069 12.213 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.966 -2.555 13.247 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.497 -2.189 12.533 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -6.148 -4.347 13.257 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.398 -4.684 11.555 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.900 -2.913 10.177 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.046 -1.355 10.271 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -5.147 -2.839 9.876 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -4.433 -5.923 12.414 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.926 -4.737 11.189 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.672 -4.395 12.917 1.00 0.00 H new ATOM 633 N VAL A 41 -3.516 -1.251 10.227 1.00 0.00 N ATOM 634 CA VAL A 41 -2.507 -1.264 9.118 1.00 0.00 C ATOM 635 C VAL A 41 -1.230 -0.525 9.521 1.00 0.00 C ATOM 636 O VAL A 41 -0.174 -1.112 9.608 1.00 0.00 O ATOM 637 CB VAL A 41 -3.082 -0.588 7.866 1.00 0.00 C ATOM 638 CG1 VAL A 41 -2.177 -0.898 6.669 1.00 0.00 C ATOM 639 CG2 VAL A 41 -4.496 -1.112 7.581 1.00 0.00 C ATOM 0 H VAL A 41 -4.330 -0.657 10.071 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.269 -2.307 8.908 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.130 0.488 8.031 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.579 -0.421 5.775 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.174 -0.518 6.863 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.133 -1.976 6.516 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.892 -0.624 6.690 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.459 -2.189 7.419 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.143 -0.895 8.431 1.00 0.00 H new ATOM 649 N GLU A 42 -1.304 0.758 9.744 1.00 0.00 N ATOM 650 CA GLU A 42 -0.071 1.515 10.108 1.00 0.00 C ATOM 651 C GLU A 42 0.574 0.913 11.359 1.00 0.00 C ATOM 652 O GLU A 42 1.753 0.636 11.382 1.00 0.00 O ATOM 653 CB GLU A 42 -0.417 2.983 10.361 1.00 0.00 C ATOM 654 CG GLU A 42 -0.940 3.613 9.069 1.00 0.00 C ATOM 655 CD GLU A 42 -1.221 5.098 9.302 1.00 0.00 C ATOM 656 OE1 GLU A 42 -0.605 5.667 10.189 1.00 0.00 O ATOM 657 OE2 GLU A 42 -2.047 5.643 8.588 1.00 0.00 O ATOM 0 H GLU A 42 -2.158 1.313 9.691 1.00 0.00 H new ATOM 0 HA GLU A 42 0.636 1.449 9.281 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.169 3.060 11.146 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.465 3.521 10.710 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.208 3.492 8.271 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.850 3.106 8.747 1.00 0.00 H new ATOM 664 N GLN A 43 -0.176 0.713 12.402 1.00 0.00 N ATOM 665 CA GLN A 43 0.426 0.138 13.640 1.00 0.00 C ATOM 666 C GLN A 43 1.266 -1.102 13.284 1.00 0.00 C ATOM 667 O GLN A 43 2.425 -1.195 13.638 1.00 0.00 O ATOM 668 CB GLN A 43 -0.699 -0.236 14.620 1.00 0.00 C ATOM 669 CG GLN A 43 -0.202 -0.154 16.072 1.00 0.00 C ATOM 670 CD GLN A 43 1.150 -0.859 16.207 1.00 0.00 C ATOM 671 OE1 GLN A 43 2.169 -0.322 15.822 1.00 0.00 O ATOM 672 NE2 GLN A 43 1.202 -2.046 16.744 1.00 0.00 N ATOM 0 H GLN A 43 -1.173 0.920 12.455 1.00 0.00 H new ATOM 0 HA GLN A 43 1.079 0.873 14.110 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -1.547 0.435 14.482 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.053 -1.245 14.408 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.108 0.889 16.374 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.929 -0.615 16.740 1.00 0.00 H new ATOM 0 HE21 GLN A 43 0.346 -2.497 17.067 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.098 -2.523 16.841 1.00 0.00 H new ATOM 681 N CYS A 44 0.694 -2.054 12.593 1.00 0.00 N ATOM 682 CA CYS A 44 1.459 -3.278 12.224 1.00 0.00 C ATOM 683 C CYS A 44 2.429 -2.967 11.072 1.00 0.00 C ATOM 684 O CYS A 44 3.609 -3.245 11.146 1.00 0.00 O ATOM 685 CB CYS A 44 0.462 -4.369 11.816 1.00 0.00 C ATOM 686 SG CYS A 44 -0.452 -4.907 13.282 1.00 0.00 S ATOM 0 H CYS A 44 -0.273 -2.034 12.268 1.00 0.00 H new ATOM 0 HA CYS A 44 2.049 -3.623 13.073 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -0.226 -3.987 11.062 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.988 -5.213 11.370 1.00 0.00 H new ATOM 691 N CYS A 45 1.944 -2.397 10.013 1.00 0.00 N ATOM 692 CA CYS A 45 2.835 -2.061 8.860 1.00 0.00 C ATOM 693 C CYS A 45 3.929 -1.083 9.303 1.00 0.00 C ATOM 694 O CYS A 45 5.102 -1.310 9.083 1.00 0.00 O ATOM 695 CB CYS A 45 1.993 -1.405 7.764 1.00 0.00 C ATOM 696 SG CYS A 45 3.043 -0.977 6.349 1.00 0.00 S ATOM 0 H CYS A 45 0.964 -2.145 9.888 1.00 0.00 H new ATOM 0 HA CYS A 45 3.303 -2.972 8.488 1.00 0.00 H new ATOM 0 HB2 CYS A 45 1.201 -2.083 7.448 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.509 -0.509 8.153 1.00 0.00 H new ATOM 701 N ARG A 46 3.554 0.008 9.911 1.00 0.00 N ATOM 702 CA ARG A 46 4.568 1.009 10.354 1.00 0.00 C ATOM 703 C ARG A 46 5.447 0.412 11.461 1.00 0.00 C ATOM 704 O ARG A 46 6.631 0.675 11.526 1.00 0.00 O ATOM 705 CB ARG A 46 3.838 2.262 10.879 1.00 0.00 C ATOM 706 CG ARG A 46 4.760 3.509 10.859 1.00 0.00 C ATOM 707 CD ARG A 46 5.515 3.650 12.190 1.00 0.00 C ATOM 708 NE ARG A 46 4.554 3.618 13.346 1.00 0.00 N ATOM 709 CZ ARG A 46 3.560 4.463 13.442 1.00 0.00 C ATOM 710 NH1 ARG A 46 2.676 4.313 14.391 1.00 0.00 N ATOM 711 NH2 ARG A 46 3.475 5.485 12.637 1.00 0.00 N ATOM 0 H ARG A 46 2.586 0.251 10.121 1.00 0.00 H new ATOM 0 HA ARG A 46 5.206 1.281 9.513 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.955 2.452 10.269 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.490 2.082 11.896 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.473 3.427 10.038 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.165 4.404 10.676 1.00 0.00 H new ATOM 0 HD2 ARG A 46 6.241 2.843 12.290 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.075 4.585 12.200 1.00 0.00 H new ATOM 0 HE ARG A 46 4.681 2.917 14.076 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.763 3.541 15.052 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.898 4.968 14.472 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.188 5.632 11.923 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.695 6.137 12.721 1.00 0.00 H new ATOM 725 N SER A 47 4.879 -0.390 12.331 1.00 0.00 N ATOM 726 CA SER A 47 5.687 -1.000 13.439 1.00 0.00 C ATOM 727 C SER A 47 5.336 -2.481 13.558 1.00 0.00 C ATOM 728 O SER A 47 4.212 -2.878 13.351 1.00 0.00 O ATOM 729 CB SER A 47 5.362 -0.287 14.753 1.00 0.00 C ATOM 730 OG SER A 47 6.027 0.969 14.779 1.00 0.00 O ATOM 0 H SER A 47 3.892 -0.649 12.323 1.00 0.00 H new ATOM 0 HA SER A 47 6.750 -0.894 13.224 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.285 -0.144 14.847 1.00 0.00 H new ATOM 0 HB3 SER A 47 5.678 -0.897 15.600 1.00 0.00 H new ATOM 0 HG SER A 47 5.821 1.431 15.618 1.00 0.00 H new ATOM 736 N ILE A 48 6.290 -3.303 13.890 1.00 0.00 N ATOM 737 CA ILE A 48 6.001 -4.757 14.008 1.00 0.00 C ATOM 738 C ILE A 48 5.085 -4.999 15.209 1.00 0.00 C ATOM 739 O ILE A 48 5.523 -5.044 16.341 1.00 0.00 O ATOM 740 CB ILE A 48 7.314 -5.524 14.197 1.00 0.00 C ATOM 741 CG1 ILE A 48 8.348 -5.034 13.174 1.00 0.00 C ATOM 742 CG2 ILE A 48 7.060 -7.017 13.986 1.00 0.00 C ATOM 743 CD1 ILE A 48 9.678 -5.755 13.400 1.00 0.00 C ATOM 0 H ILE A 48 7.254 -3.032 14.084 1.00 0.00 H new ATOM 0 HA ILE A 48 5.506 -5.106 13.101 1.00 0.00 H new ATOM 0 HB ILE A 48 7.693 -5.354 15.205 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.989 -5.221 12.162 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.486 -3.957 13.269 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.992 -7.567 14.119 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.325 -7.367 14.711 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.682 -7.183 12.977 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.410 -5.405 12.672 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.039 -5.546 14.407 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.534 -6.829 13.282 1.00 0.00 H new ATOM 755 N CYS A 49 3.809 -5.156 14.964 1.00 0.00 N ATOM 756 CA CYS A 49 2.852 -5.395 16.082 1.00 0.00 C ATOM 757 C CYS A 49 2.859 -6.882 16.446 1.00 0.00 C ATOM 758 O CYS A 49 2.957 -7.738 15.590 1.00 0.00 O ATOM 759 CB CYS A 49 1.443 -4.974 15.645 1.00 0.00 C ATOM 760 SG CYS A 49 0.875 -6.044 14.300 1.00 0.00 S ATOM 0 H CYS A 49 3.389 -5.129 14.035 1.00 0.00 H new ATOM 0 HA CYS A 49 3.149 -4.809 16.952 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.756 -5.039 16.489 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.449 -3.934 15.318 1.00 0.00 H new ATOM 765 N SER A 50 2.763 -7.195 17.709 1.00 0.00 N ATOM 766 CA SER A 50 2.773 -8.626 18.125 1.00 0.00 C ATOM 767 C SER A 50 1.470 -9.299 17.689 1.00 0.00 C ATOM 768 O SER A 50 0.461 -8.653 17.488 1.00 0.00 O ATOM 769 CB SER A 50 2.908 -8.714 19.647 1.00 0.00 C ATOM 770 OG SER A 50 3.862 -7.757 20.090 1.00 0.00 O ATOM 0 H SER A 50 2.678 -6.522 18.471 1.00 0.00 H new ATOM 0 HA SER A 50 3.616 -9.132 17.654 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.944 -8.529 20.120 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.219 -9.717 19.939 1.00 0.00 H new ATOM 0 HG SER A 50 3.950 -7.809 21.065 1.00 0.00 H new ATOM 776 N LEU A 51 1.485 -10.596 17.550 1.00 0.00 N ATOM 777 CA LEU A 51 0.249 -11.314 17.136 1.00 0.00 C ATOM 778 C LEU A 51 -0.898 -10.903 18.060 1.00 0.00 C ATOM 779 O LEU A 51 -2.042 -10.840 17.657 1.00 0.00 O ATOM 780 CB LEU A 51 0.473 -12.827 17.237 1.00 0.00 C ATOM 781 CG LEU A 51 1.770 -13.215 16.517 1.00 0.00 C ATOM 782 CD1 LEU A 51 2.018 -14.715 16.696 1.00 0.00 C ATOM 783 CD2 LEU A 51 1.651 -12.890 15.022 1.00 0.00 C ATOM 0 H LEU A 51 2.300 -11.189 17.705 1.00 0.00 H new ATOM 0 HA LEU A 51 0.003 -11.058 16.106 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.525 -13.126 18.284 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.370 -13.358 16.796 1.00 0.00 H new ATOM 0 HG LEU A 51 2.602 -12.652 16.941 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.939 -14.995 16.185 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.107 -14.945 17.758 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.184 -15.275 16.272 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.575 -13.167 14.515 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.820 -13.449 14.593 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.474 -11.822 14.895 1.00 0.00 H new ATOM 795 N TYR A 52 -0.597 -10.618 19.298 1.00 0.00 N ATOM 796 CA TYR A 52 -1.666 -10.203 20.251 1.00 0.00 C ATOM 797 C TYR A 52 -2.528 -9.115 19.603 1.00 0.00 C ATOM 798 O TYR A 52 -3.731 -9.244 19.496 1.00 0.00 O ATOM 799 CB TYR A 52 -1.019 -9.660 21.532 1.00 0.00 C ATOM 800 CG TYR A 52 -2.021 -9.691 22.661 1.00 0.00 C ATOM 801 CD1 TYR A 52 -3.012 -8.712 22.732 1.00 0.00 C ATOM 802 CD2 TYR A 52 -1.959 -10.699 23.631 1.00 0.00 C ATOM 803 CE1 TYR A 52 -3.947 -8.734 23.773 1.00 0.00 C ATOM 804 CE2 TYR A 52 -2.893 -10.724 24.674 1.00 0.00 C ATOM 805 CZ TYR A 52 -3.888 -9.741 24.744 1.00 0.00 C ATOM 806 OH TYR A 52 -4.810 -9.765 25.770 1.00 0.00 O ATOM 0 H TYR A 52 0.344 -10.655 19.691 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.293 -11.059 20.499 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.146 -10.258 21.792 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.670 -8.640 21.371 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.058 -7.936 21.982 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.191 -11.457 23.575 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.713 -7.975 23.827 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.846 -11.500 25.423 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.628 -10.529 26.356 1.00 0.00 H new ATOM 816 N GLN A 53 -1.919 -8.047 19.163 1.00 0.00 N ATOM 817 CA GLN A 53 -2.702 -6.957 18.514 1.00 0.00 C ATOM 818 C GLN A 53 -3.458 -7.527 17.316 1.00 0.00 C ATOM 819 O GLN A 53 -4.649 -7.334 17.175 1.00 0.00 O ATOM 820 CB GLN A 53 -1.751 -5.855 18.046 1.00 0.00 C ATOM 821 CG GLN A 53 -0.943 -5.343 19.239 1.00 0.00 C ATOM 822 CD GLN A 53 -0.216 -4.055 18.850 1.00 0.00 C ATOM 823 OE1 GLN A 53 0.972 -3.925 19.065 1.00 0.00 O ATOM 824 NE2 GLN A 53 -0.886 -3.090 18.282 1.00 0.00 N ATOM 0 H GLN A 53 -0.914 -7.882 19.225 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.412 -6.539 19.228 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -1.081 -6.240 17.277 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.316 -5.038 17.597 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.603 -5.158 20.086 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.223 -6.098 19.555 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.884 -3.199 18.101 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -0.412 -2.226 18.018 1.00 0.00 H new ATOM 833 N LEU A 54 -2.783 -8.239 16.454 1.00 0.00 N ATOM 834 CA LEU A 54 -3.482 -8.824 15.279 1.00 0.00 C ATOM 835 C LEU A 54 -4.644 -9.669 15.775 1.00 0.00 C ATOM 836 O LEU A 54 -5.697 -9.731 15.171 1.00 0.00 O ATOM 837 CB LEU A 54 -2.521 -9.689 14.485 1.00 0.00 C ATOM 838 CG LEU A 54 -1.391 -8.815 13.945 1.00 0.00 C ATOM 839 CD1 LEU A 54 -0.363 -9.706 13.239 1.00 0.00 C ATOM 840 CD2 LEU A 54 -1.950 -7.768 12.958 1.00 0.00 C ATOM 0 H LEU A 54 -1.785 -8.439 16.514 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.851 -8.027 14.634 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.116 -10.479 15.117 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.045 -10.176 13.663 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.913 -8.289 14.771 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.447 -9.089 12.850 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.040 -10.429 13.948 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.844 -10.234 12.416 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.134 -7.152 12.581 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.436 -8.276 12.125 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.675 -7.136 13.470 1.00 0.00 H new ATOM 852 N GLU A 55 -4.451 -10.311 16.884 1.00 0.00 N ATOM 853 CA GLU A 55 -5.527 -11.158 17.464 1.00 0.00 C ATOM 854 C GLU A 55 -6.626 -10.259 18.037 1.00 0.00 C ATOM 855 O GLU A 55 -7.673 -10.720 18.447 1.00 0.00 O ATOM 856 CB GLU A 55 -4.944 -12.029 18.579 1.00 0.00 C ATOM 857 CG GLU A 55 -5.859 -13.231 18.836 1.00 0.00 C ATOM 858 CD GLU A 55 -5.459 -13.911 20.147 1.00 0.00 C ATOM 859 OE1 GLU A 55 -5.919 -15.017 20.382 1.00 0.00 O ATOM 860 OE2 GLU A 55 -4.701 -13.316 20.895 1.00 0.00 O ATOM 0 H GLU A 55 -3.585 -10.287 17.422 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.948 -11.797 16.688 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.948 -12.373 18.300 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.835 -11.442 19.491 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.898 -12.905 18.886 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.786 -13.939 18.011 1.00 0.00 H new ATOM 867 N ASN A 56 -6.376 -8.982 18.094 1.00 0.00 N ATOM 868 CA ASN A 56 -7.383 -8.044 18.671 1.00 0.00 C ATOM 869 C ASN A 56 -8.480 -7.719 17.651 1.00 0.00 C ATOM 870 O ASN A 56 -9.558 -7.285 18.009 1.00 0.00 O ATOM 871 CB ASN A 56 -6.666 -6.752 19.074 1.00 0.00 C ATOM 872 CG ASN A 56 -7.536 -5.952 20.044 1.00 0.00 C ATOM 873 OD1 ASN A 56 -8.748 -5.978 19.958 1.00 0.00 O ATOM 874 ND2 ASN A 56 -6.961 -5.235 20.970 1.00 0.00 N ATOM 0 H ASN A 56 -5.515 -8.544 17.765 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.852 -8.512 19.536 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.709 -6.988 19.540 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -6.450 -6.154 18.188 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.529 -4.695 21.623 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.944 -5.214 21.041 1.00 0.00 H new ATOM 881 N TYR A 57 -8.210 -7.897 16.387 1.00 0.00 N ATOM 882 CA TYR A 57 -9.224 -7.570 15.337 1.00 0.00 C ATOM 883 C TYR A 57 -9.918 -8.843 14.849 1.00 0.00 C ATOM 884 O TYR A 57 -10.863 -8.792 14.087 1.00 0.00 O ATOM 885 CB TYR A 57 -8.493 -6.901 14.177 1.00 0.00 C ATOM 886 CG TYR A 57 -7.457 -5.957 14.740 1.00 0.00 C ATOM 887 CD1 TYR A 57 -7.813 -4.671 15.169 1.00 0.00 C ATOM 888 CD2 TYR A 57 -6.134 -6.377 14.832 1.00 0.00 C ATOM 889 CE1 TYR A 57 -6.838 -3.812 15.687 1.00 0.00 C ATOM 890 CE2 TYR A 57 -5.154 -5.520 15.350 1.00 0.00 C ATOM 891 CZ TYR A 57 -5.507 -4.236 15.778 1.00 0.00 C ATOM 892 OH TYR A 57 -4.544 -3.389 16.287 1.00 0.00 O ATOM 0 H TYR A 57 -7.325 -8.257 16.031 1.00 0.00 H new ATOM 0 HA TYR A 57 -9.986 -6.907 15.746 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -8.017 -7.652 13.546 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -9.198 -6.357 13.549 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -8.840 -4.343 15.100 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.861 -7.369 14.503 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -7.112 -2.821 16.017 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.128 -5.850 15.419 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.358 -2.678 15.639 1.00 0.00 H new ATOM 902 N CYS A 58 -9.457 -9.980 15.276 1.00 0.00 N ATOM 903 CA CYS A 58 -10.085 -11.250 14.833 1.00 0.00 C ATOM 904 C CYS A 58 -11.549 -11.277 15.261 1.00 0.00 C ATOM 905 O CYS A 58 -11.878 -11.608 16.383 1.00 0.00 O ATOM 906 CB CYS A 58 -9.331 -12.423 15.451 1.00 0.00 C ATOM 907 SG CYS A 58 -7.636 -12.426 14.819 1.00 0.00 S ATOM 0 H CYS A 58 -8.669 -10.085 15.915 1.00 0.00 H new ATOM 0 HA CYS A 58 -10.038 -11.326 13.747 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -9.328 -12.339 16.538 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -9.827 -13.362 15.205 1.00 0.00 H new ATOM 912 N GLY A 59 -12.432 -10.930 14.366 1.00 0.00 N ATOM 913 CA GLY A 59 -13.882 -10.932 14.707 1.00 0.00 C ATOM 914 C GLY A 59 -14.366 -12.375 14.861 1.00 0.00 C ATOM 915 O GLY A 59 -14.936 -12.892 13.915 1.00 0.00 O ATOM 916 OXT GLY A 59 -14.158 -12.938 15.923 1.00 0.00 O ATOM 0 H GLY A 59 -12.212 -10.645 13.412 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.050 -10.380 15.632 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.451 -10.427 13.926 1.00 0.00 H new TER 920 GLY A 59