USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 443 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 56 SER OG : rot 46:sc= 1.2 USER MOD Set 1.2: A 60 HIS : no HE2:sc= -2.22 K(o=-1,f=-2.7!) USER MOD Set 2.1: A 47 ASN : amide:sc= 1.18 K(o=2.4,f=-8.7!) USER MOD Set 2.2: A 49 THR OG1 : rot 98:sc= 1.23 USER MOD Set 3.1: A 15 HIS : no HE2:sc= 1.26 K(o=2.4,f=-2.9!) USER MOD Set 3.2: A 37 SER OG : rot 166:sc= 1.18 USER MOD Set 4.1: A 3 LYS NZ :NH3+ 178:sc= 0.651 (180deg=0) USER MOD Set 4.2: A 29 TYR OH : rot -165:sc= 1.85 USER MOD Set 5.1: A 9 SER OG : rot -47:sc= 1.11 USER MOD Set 5.2: A 10 HIS : no HE2:sc= 0.0996 K(o=1.2,f=-0.81) USER MOD Single : A 1 LEU N :NH3+ -116:sc= -0.119 (180deg=-1.7!) USER MOD Single : A 2 THR OG1 : rot -150:sc= 1.68 USER MOD Single : A 5 GLN : amide:sc= -0.163 K(o=-0.16,f=-2.8!) USER MOD Single : A 18 SER OG : rot 81:sc= 1.25 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0.166 K(o=0.17,f=-2.7) USER MOD Single : A 28 ASN : amide:sc= 0.869 K(o=0.87,f=-0.055) USER MOD Single : A 33 GLN : amide:sc= 2.64 K(o=2.6,f=-6.2!) USER MOD Single : A 35 TYR OH : rot -15:sc= 1.23 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 54 THR OG1 : rot -54:sc= 1.77 USER MOD Single : A 59 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.3) USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 15.680 9.168 1.660 1.00 0.00 N ATOM 2 CA LEU A 1 14.374 8.641 1.286 1.00 0.00 C ATOM 3 C LEU A 1 13.394 8.774 2.466 1.00 0.00 C ATOM 4 O LEU A 1 13.806 8.913 3.617 1.00 0.00 O ATOM 5 CB LEU A 1 14.523 7.169 0.841 1.00 0.00 C ATOM 6 CG LEU A 1 14.912 6.970 -0.638 1.00 0.00 C ATOM 7 CD1 LEU A 1 16.274 7.562 -1.012 1.00 0.00 C ATOM 8 CD2 LEU A 1 14.954 5.472 -0.958 1.00 0.00 C ATOM 0 H1 LEU A 1 15.903 9.995 1.070 1.00 0.00 H new ATOM 0 H2 LEU A 1 15.667 9.450 2.661 1.00 0.00 H new ATOM 0 H3 LEU A 1 16.404 8.435 1.517 1.00 0.00 H new ATOM 0 HA LEU A 1 13.970 9.214 0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 1 15.277 6.691 1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 1 13.581 6.652 1.026 1.00 0.00 H new ATOM 0 HG LEU A 1 14.153 7.498 -1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 1 16.472 7.380 -2.068 1.00 0.00 H new ATOM 0 HD12 LEU A 1 16.268 8.636 -0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 1 17.052 7.093 -0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 1 15.229 5.331 -2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 1 15.691 4.984 -0.320 1.00 0.00 H new ATOM 0 HD23 LEU A 1 13.972 5.034 -0.779 1.00 0.00 H new ATOM 20 N THR A 2 12.090 8.706 2.179 1.00 0.00 N ATOM 21 CA THR A 2 11.022 8.653 3.179 1.00 0.00 C ATOM 22 C THR A 2 10.808 7.217 3.662 1.00 0.00 C ATOM 23 O THR A 2 11.218 6.274 2.989 1.00 0.00 O ATOM 24 CB THR A 2 9.695 9.163 2.594 1.00 0.00 C ATOM 25 OG1 THR A 2 9.257 8.285 1.579 1.00 0.00 O ATOM 26 CG2 THR A 2 9.802 10.579 2.023 1.00 0.00 C ATOM 0 H THR A 2 11.741 8.686 1.221 1.00 0.00 H new ATOM 0 HA THR A 2 11.326 9.288 4.011 1.00 0.00 H new ATOM 0 HB THR A 2 8.977 9.196 3.414 1.00 0.00 H new ATOM 0 HG1 THR A 2 8.745 8.787 0.911 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.835 10.885 1.625 1.00 0.00 H new ATOM 0 HG22 THR A 2 10.103 11.268 2.812 1.00 0.00 H new ATOM 0 HG23 THR A 2 10.544 10.594 1.225 1.00 0.00 H new ATOM 34 N LYS A 3 10.074 7.019 4.768 1.00 0.00 N ATOM 35 CA LYS A 3 9.703 5.678 5.248 1.00 0.00 C ATOM 36 C LYS A 3 9.003 4.844 4.164 1.00 0.00 C ATOM 37 O LYS A 3 9.329 3.671 3.990 1.00 0.00 O ATOM 38 CB LYS A 3 8.869 5.814 6.532 1.00 0.00 C ATOM 39 CG LYS A 3 8.645 4.462 7.230 1.00 0.00 C ATOM 40 CD LYS A 3 8.064 4.619 8.645 1.00 0.00 C ATOM 41 CE LYS A 3 6.727 5.371 8.708 1.00 0.00 C ATOM 42 NZ LYS A 3 5.629 4.611 8.082 1.00 0.00 N ATOM 0 H LYS A 3 9.723 7.778 5.352 1.00 0.00 H new ATOM 0 HA LYS A 3 10.610 5.123 5.487 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.372 6.496 7.218 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.904 6.259 6.290 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.969 3.854 6.629 1.00 0.00 H new ATOM 0 HG3 LYS A 3 9.592 3.925 7.287 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.929 3.629 9.080 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.790 5.144 9.265 1.00 0.00 H new ATOM 0 HE2 LYS A 3 6.477 5.577 9.749 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.830 6.334 8.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.740 5.142 8.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.838 4.466 7.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.533 3.688 8.552 1.00 0.00 H new ATOM 56 N CYS A 4 8.126 5.478 3.376 1.00 0.00 N ATOM 57 CA CYS A 4 7.532 4.881 2.183 1.00 0.00 C ATOM 58 C CYS A 4 8.610 4.456 1.178 1.00 0.00 C ATOM 59 O CYS A 4 8.731 3.270 0.872 1.00 0.00 O ATOM 60 CB CYS A 4 6.522 5.852 1.552 1.00 0.00 C ATOM 61 SG CYS A 4 5.473 5.066 0.305 1.00 0.00 S ATOM 0 H CYS A 4 7.808 6.431 3.555 1.00 0.00 H new ATOM 0 HA CYS A 4 6.997 3.978 2.477 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.892 6.273 2.336 1.00 0.00 H new ATOM 0 HB3 CYS A 4 7.061 6.682 1.095 1.00 0.00 H new ATOM 66 N GLN A 5 9.397 5.415 0.672 1.00 0.00 N ATOM 67 CA GLN A 5 10.380 5.161 -0.381 1.00 0.00 C ATOM 68 C GLN A 5 11.461 4.165 0.061 1.00 0.00 C ATOM 69 O GLN A 5 11.885 3.351 -0.752 1.00 0.00 O ATOM 70 CB GLN A 5 11.002 6.483 -0.861 1.00 0.00 C ATOM 71 CG GLN A 5 10.012 7.422 -1.574 1.00 0.00 C ATOM 72 CD GLN A 5 9.667 6.992 -3.001 1.00 0.00 C ATOM 73 OE1 GLN A 5 9.266 5.873 -3.271 1.00 0.00 O ATOM 74 NE2 GLN A 5 9.774 7.879 -3.972 1.00 0.00 N ATOM 0 H GLN A 5 9.368 6.386 0.983 1.00 0.00 H new ATOM 0 HA GLN A 5 9.855 4.699 -1.217 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.427 7.004 -0.003 1.00 0.00 H new ATOM 0 HB3 GLN A 5 11.826 6.259 -1.539 1.00 0.00 H new ATOM 0 HG2 GLN A 5 9.094 7.477 -0.990 1.00 0.00 H new ATOM 0 HG3 GLN A 5 10.434 8.427 -1.600 1.00 0.00 H new ATOM 0 HE21 GLN A 5 10.107 8.821 -3.768 1.00 0.00 H new ATOM 0 HE22 GLN A 5 9.523 7.623 -4.927 1.00 0.00 H new ATOM 83 N GLU A 6 11.860 4.170 1.339 1.00 0.00 N ATOM 84 CA GLU A 6 12.753 3.177 1.938 1.00 0.00 C ATOM 85 C GLU A 6 12.167 1.777 1.778 1.00 0.00 C ATOM 86 O GLU A 6 12.783 0.942 1.120 1.00 0.00 O ATOM 87 CB GLU A 6 12.977 3.483 3.424 1.00 0.00 C ATOM 88 CG GLU A 6 13.938 4.657 3.653 1.00 0.00 C ATOM 89 CD GLU A 6 14.035 5.012 5.137 1.00 0.00 C ATOM 90 OE1 GLU A 6 13.100 5.679 5.632 1.00 0.00 O ATOM 91 OE2 GLU A 6 15.035 4.595 5.762 1.00 0.00 O ATOM 0 H GLU A 6 11.561 4.886 2.001 1.00 0.00 H new ATOM 0 HA GLU A 6 13.713 3.222 1.423 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.019 3.708 3.892 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.372 2.595 3.917 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.927 4.400 3.273 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.596 5.526 3.090 1.00 0.00 H new ATOM 98 N GLU A 7 10.966 1.533 2.319 1.00 0.00 N ATOM 99 CA GLU A 7 10.286 0.240 2.191 1.00 0.00 C ATOM 100 C GLU A 7 10.144 -0.173 0.720 1.00 0.00 C ATOM 101 O GLU A 7 10.491 -1.294 0.349 1.00 0.00 O ATOM 102 CB GLU A 7 8.894 0.298 2.836 1.00 0.00 C ATOM 103 CG GLU A 7 8.897 0.410 4.365 1.00 0.00 C ATOM 104 CD GLU A 7 7.469 0.581 4.893 1.00 0.00 C ATOM 105 OE1 GLU A 7 6.858 1.642 4.618 1.00 0.00 O ATOM 106 OE2 GLU A 7 6.985 -0.369 5.547 1.00 0.00 O ATOM 0 H GLU A 7 10.441 2.224 2.855 1.00 0.00 H new ATOM 0 HA GLU A 7 10.897 -0.502 2.706 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.354 1.151 2.425 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.340 -0.597 2.553 1.00 0.00 H new ATOM 0 HG2 GLU A 7 9.348 -0.482 4.800 1.00 0.00 H new ATOM 0 HG3 GLU A 7 9.509 1.258 4.672 1.00 0.00 H new ATOM 113 N VAL A 8 9.679 0.743 -0.134 1.00 0.00 N ATOM 114 CA VAL A 8 9.509 0.508 -1.574 1.00 0.00 C ATOM 115 C VAL A 8 10.835 0.209 -2.280 1.00 0.00 C ATOM 116 O VAL A 8 10.850 -0.544 -3.252 1.00 0.00 O ATOM 117 CB VAL A 8 8.763 1.700 -2.201 1.00 0.00 C ATOM 118 CG1 VAL A 8 8.688 1.706 -3.733 1.00 0.00 C ATOM 119 CG2 VAL A 8 7.312 1.658 -1.704 1.00 0.00 C ATOM 0 H VAL A 8 9.406 1.682 0.157 1.00 0.00 H new ATOM 0 HA VAL A 8 8.906 -0.389 -1.710 1.00 0.00 H new ATOM 0 HB VAL A 8 9.328 2.584 -1.904 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.142 2.588 -4.067 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.696 1.725 -4.147 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.172 0.809 -4.076 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.756 2.492 -2.132 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.850 0.719 -2.010 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.298 1.732 -0.617 1.00 0.00 H new ATOM 129 N SER A 9 11.949 0.732 -1.768 1.00 0.00 N ATOM 130 CA SER A 9 13.312 0.377 -2.184 1.00 0.00 C ATOM 131 C SER A 9 13.872 -0.925 -1.584 1.00 0.00 C ATOM 132 O SER A 9 15.007 -1.291 -1.901 1.00 0.00 O ATOM 133 CB SER A 9 14.267 1.542 -1.889 1.00 0.00 C ATOM 134 OG SER A 9 14.589 1.672 -0.519 1.00 0.00 O ATOM 0 H SER A 9 11.931 1.436 -1.030 1.00 0.00 H new ATOM 0 HA SER A 9 13.240 0.186 -3.255 1.00 0.00 H new ATOM 0 HB2 SER A 9 15.186 1.402 -2.459 1.00 0.00 H new ATOM 0 HB3 SER A 9 13.814 2.470 -2.238 1.00 0.00 H new ATOM 0 HG SER A 9 13.770 1.617 0.016 1.00 0.00 H new ATOM 140 N HIS A 10 13.134 -1.620 -0.707 1.00 0.00 N ATOM 141 CA HIS A 10 13.654 -2.761 0.061 1.00 0.00 C ATOM 142 C HIS A 10 12.763 -4.012 0.039 1.00 0.00 C ATOM 143 O HIS A 10 13.285 -5.112 0.212 1.00 0.00 O ATOM 144 CB HIS A 10 13.920 -2.313 1.507 1.00 0.00 C ATOM 145 CG HIS A 10 14.965 -1.230 1.664 1.00 0.00 C ATOM 146 ND1 HIS A 10 15.951 -0.891 0.763 1.00 0.00 N ATOM 147 CD2 HIS A 10 15.058 -0.359 2.715 1.00 0.00 C ATOM 148 CE1 HIS A 10 16.626 0.155 1.272 1.00 0.00 C ATOM 149 NE2 HIS A 10 16.124 0.508 2.465 1.00 0.00 N ATOM 0 H HIS A 10 12.156 -1.406 -0.509 1.00 0.00 H new ATOM 0 HA HIS A 10 14.578 -3.068 -0.430 1.00 0.00 H new ATOM 0 HB2 HIS A 10 12.984 -1.958 1.938 1.00 0.00 H new ATOM 0 HB3 HIS A 10 14.230 -3.181 2.088 1.00 0.00 H new ATOM 0 HD1 HIS A 10 16.136 -1.350 -0.129 1.00 0.00 H new ATOM 0 HD2 HIS A 10 14.419 -0.344 3.586 1.00 0.00 H new ATOM 0 HE1 HIS A 10 17.458 0.644 0.787 1.00 0.00 H new ATOM 157 N ILE A 11 11.451 -3.886 -0.191 1.00 0.00 N ATOM 158 CA ILE A 11 10.543 -5.039 -0.302 1.00 0.00 C ATOM 159 C ILE A 11 10.671 -5.664 -1.709 1.00 0.00 C ATOM 160 O ILE A 11 10.350 -4.996 -2.695 1.00 0.00 O ATOM 161 CB ILE A 11 9.082 -4.642 0.023 1.00 0.00 C ATOM 162 CG1 ILE A 11 8.899 -4.104 1.464 1.00 0.00 C ATOM 163 CG2 ILE A 11 8.129 -5.834 -0.197 1.00 0.00 C ATOM 164 CD1 ILE A 11 9.205 -5.091 2.599 1.00 0.00 C ATOM 0 H ILE A 11 10.987 -2.985 -0.306 1.00 0.00 H new ATOM 0 HA ILE A 11 10.830 -5.788 0.436 1.00 0.00 H new ATOM 0 HB ILE A 11 8.836 -3.832 -0.663 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.539 -3.230 1.588 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.870 -3.763 1.574 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.108 -5.532 0.037 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.182 -6.155 -1.237 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.422 -6.659 0.453 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.042 -4.603 3.560 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.548 -5.957 2.516 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.243 -5.416 2.529 1.00 0.00 H new ATOM 176 N PRO A 12 11.121 -6.925 -1.858 1.00 0.00 N ATOM 177 CA PRO A 12 11.150 -7.587 -3.162 1.00 0.00 C ATOM 178 C PRO A 12 9.731 -7.935 -3.642 1.00 0.00 C ATOM 179 O PRO A 12 8.796 -8.024 -2.847 1.00 0.00 O ATOM 180 CB PRO A 12 11.999 -8.844 -2.941 1.00 0.00 C ATOM 181 CG PRO A 12 11.711 -9.202 -1.484 1.00 0.00 C ATOM 182 CD PRO A 12 11.563 -7.839 -0.812 1.00 0.00 C ATOM 0 HA PRO A 12 11.568 -6.948 -3.940 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.713 -9.649 -3.618 1.00 0.00 H new ATOM 0 HB3 PRO A 12 13.059 -8.650 -3.107 1.00 0.00 H new ATOM 0 HG2 PRO A 12 10.804 -9.799 -1.388 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.522 -9.782 -1.044 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.839 -7.881 0.002 1.00 0.00 H new ATOM 0 HD3 PRO A 12 12.509 -7.511 -0.381 1.00 0.00 H new ATOM 190 N ALA A 13 9.575 -8.218 -4.942 1.00 0.00 N ATOM 191 CA ALA A 13 8.317 -8.728 -5.502 1.00 0.00 C ATOM 192 C ALA A 13 7.909 -10.089 -4.899 1.00 0.00 C ATOM 193 O ALA A 13 6.727 -10.416 -4.817 1.00 0.00 O ATOM 194 CB ALA A 13 8.463 -8.822 -7.025 1.00 0.00 C ATOM 0 H ALA A 13 10.316 -8.100 -5.633 1.00 0.00 H new ATOM 0 HA ALA A 13 7.517 -8.034 -5.244 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.536 -9.200 -7.457 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.676 -7.834 -7.432 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.280 -9.500 -7.271 1.00 0.00 H new ATOM 200 N VAL A 14 8.887 -10.864 -4.413 1.00 0.00 N ATOM 201 CA VAL A 14 8.692 -12.082 -3.626 1.00 0.00 C ATOM 202 C VAL A 14 8.369 -11.681 -2.180 1.00 0.00 C ATOM 203 O VAL A 14 9.200 -11.806 -1.283 1.00 0.00 O ATOM 204 CB VAL A 14 9.916 -13.023 -3.741 1.00 0.00 C ATOM 205 CG1 VAL A 14 9.663 -14.376 -3.055 1.00 0.00 C ATOM 206 CG2 VAL A 14 10.255 -13.324 -5.210 1.00 0.00 C ATOM 0 H VAL A 14 9.872 -10.649 -4.565 1.00 0.00 H new ATOM 0 HA VAL A 14 7.850 -12.655 -4.015 1.00 0.00 H new ATOM 0 HB VAL A 14 10.738 -12.499 -3.254 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.546 -15.007 -3.158 1.00 0.00 H new ATOM 0 HG12 VAL A 14 9.454 -14.214 -1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.809 -14.867 -3.522 1.00 0.00 H new ATOM 0 HG21 VAL A 14 11.119 -13.987 -5.256 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.402 -13.805 -5.689 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.484 -12.393 -5.729 1.00 0.00 H new ATOM 216 N HIS A 15 7.139 -11.204 -1.962 1.00 0.00 N ATOM 217 CA HIS A 15 6.587 -10.883 -0.636 1.00 0.00 C ATOM 218 C HIS A 15 5.451 -11.859 -0.226 1.00 0.00 C ATOM 219 O HIS A 15 4.296 -11.451 -0.041 1.00 0.00 O ATOM 220 CB HIS A 15 6.254 -9.377 -0.550 1.00 0.00 C ATOM 221 CG HIS A 15 5.195 -8.852 -1.491 1.00 0.00 C ATOM 222 ND1 HIS A 15 3.864 -8.671 -1.191 1.00 0.00 N ATOM 223 CD2 HIS A 15 5.397 -8.362 -2.753 1.00 0.00 C ATOM 224 CE1 HIS A 15 3.274 -8.116 -2.261 1.00 0.00 C ATOM 225 NE2 HIS A 15 4.167 -7.904 -3.237 1.00 0.00 N ATOM 0 H HIS A 15 6.481 -11.025 -2.720 1.00 0.00 H new ATOM 0 HA HIS A 15 7.342 -11.052 0.131 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.939 -9.158 0.470 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.172 -8.817 -0.727 1.00 0.00 H new ATOM 0 HD1 HIS A 15 3.407 -8.915 -0.312 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.339 -8.334 -3.281 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.224 -7.874 -2.326 1.00 0.00 H new ATOM 233 N PRO A 16 5.745 -13.169 -0.055 1.00 0.00 N ATOM 234 CA PRO A 16 4.741 -14.189 0.247 1.00 0.00 C ATOM 235 C PRO A 16 4.086 -13.927 1.606 1.00 0.00 C ATOM 236 O PRO A 16 4.752 -13.532 2.568 1.00 0.00 O ATOM 237 CB PRO A 16 5.477 -15.532 0.211 1.00 0.00 C ATOM 238 CG PRO A 16 6.907 -15.155 0.582 1.00 0.00 C ATOM 239 CD PRO A 16 7.066 -13.784 -0.070 1.00 0.00 C ATOM 0 HA PRO A 16 3.927 -14.180 -0.478 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.052 -16.244 0.919 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.425 -15.993 -0.775 1.00 0.00 H new ATOM 0 HG2 PRO A 16 7.048 -15.110 1.662 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.630 -15.874 0.196 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.785 -13.174 0.477 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.439 -13.879 -1.090 1.00 0.00 H new ATOM 247 N GLY A 17 2.755 -14.073 1.652 1.00 0.00 N ATOM 248 CA GLY A 17 1.905 -13.736 2.799 1.00 0.00 C ATOM 249 C GLY A 17 2.117 -12.332 3.387 1.00 0.00 C ATOM 250 O GLY A 17 1.603 -12.055 4.469 1.00 0.00 O ATOM 0 H GLY A 17 2.223 -14.442 0.864 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.862 -13.831 2.497 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.077 -14.471 3.586 1.00 0.00 H new ATOM 254 N SER A 18 2.819 -11.432 2.681 1.00 0.00 N ATOM 255 CA SER A 18 3.318 -10.160 3.211 1.00 0.00 C ATOM 256 C SER A 18 2.855 -8.944 2.398 1.00 0.00 C ATOM 257 O SER A 18 2.555 -9.047 1.207 1.00 0.00 O ATOM 258 CB SER A 18 4.852 -10.227 3.239 1.00 0.00 C ATOM 259 OG SER A 18 5.313 -11.371 3.937 1.00 0.00 O ATOM 0 H SER A 18 3.060 -11.576 1.700 1.00 0.00 H new ATOM 0 HA SER A 18 2.909 -10.024 4.212 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.234 -10.245 2.218 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.247 -9.328 3.712 1.00 0.00 H new ATOM 0 HG SER A 18 5.275 -12.152 3.346 1.00 0.00 H new ATOM 265 N PHE A 19 2.810 -7.780 3.052 1.00 0.00 N ATOM 266 CA PHE A 19 2.449 -6.486 2.465 1.00 0.00 C ATOM 267 C PHE A 19 3.588 -5.896 1.610 1.00 0.00 C ATOM 268 O PHE A 19 4.759 -6.205 1.831 1.00 0.00 O ATOM 269 CB PHE A 19 2.098 -5.543 3.633 1.00 0.00 C ATOM 270 CG PHE A 19 1.876 -4.081 3.279 1.00 0.00 C ATOM 271 CD1 PHE A 19 0.899 -3.718 2.334 1.00 0.00 C ATOM 272 CD2 PHE A 19 2.658 -3.076 3.885 1.00 0.00 C ATOM 273 CE1 PHE A 19 0.710 -2.370 1.990 1.00 0.00 C ATOM 274 CE2 PHE A 19 2.457 -1.724 3.552 1.00 0.00 C ATOM 275 CZ PHE A 19 1.484 -1.369 2.603 1.00 0.00 C ATOM 0 H PHE A 19 3.033 -7.710 4.045 1.00 0.00 H new ATOM 0 HA PHE A 19 1.602 -6.611 1.790 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.196 -5.918 4.116 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.900 -5.598 4.369 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.291 -4.481 1.870 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.414 -3.345 4.608 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.032 -2.101 1.253 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.052 -0.958 4.027 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.331 -0.331 2.345 1.00 0.00 H new ATOM 285 N ARG A 20 3.239 -4.996 0.675 1.00 0.00 N ATOM 286 CA ARG A 20 4.183 -4.161 -0.071 1.00 0.00 C ATOM 287 C ARG A 20 3.600 -2.752 -0.293 1.00 0.00 C ATOM 288 O ARG A 20 2.589 -2.632 -0.985 1.00 0.00 O ATOM 289 CB ARG A 20 4.566 -4.825 -1.401 1.00 0.00 C ATOM 290 CG ARG A 20 5.649 -3.968 -2.071 1.00 0.00 C ATOM 291 CD ARG A 20 6.259 -4.620 -3.311 1.00 0.00 C ATOM 292 NE ARG A 20 7.634 -4.150 -3.525 1.00 0.00 N ATOM 293 CZ ARG A 20 8.068 -2.915 -3.726 1.00 0.00 C ATOM 294 NH1 ARG A 20 7.280 -1.869 -3.822 1.00 0.00 N ATOM 295 NH2 ARG A 20 9.362 -2.732 -3.787 1.00 0.00 N ATOM 0 H ARG A 20 2.267 -4.828 0.414 1.00 0.00 H new ATOM 0 HA ARG A 20 5.094 -4.057 0.519 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.934 -5.836 -1.229 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.693 -4.910 -2.049 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.219 -3.006 -2.350 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.440 -3.767 -1.349 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.254 -5.704 -3.197 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.651 -4.389 -4.185 1.00 0.00 H new ATOM 0 HE ARG A 20 8.353 -4.874 -3.518 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.270 -1.983 -3.741 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.678 -0.943 -3.977 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.995 -3.525 -3.681 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.738 -1.796 -3.941 1.00 0.00 H new ATOM 309 N PRO A 21 4.203 -1.687 0.270 1.00 0.00 N ATOM 310 CA PRO A 21 3.719 -0.326 0.068 1.00 0.00 C ATOM 311 C PRO A 21 3.996 0.218 -1.343 1.00 0.00 C ATOM 312 O PRO A 21 4.747 -0.369 -2.125 1.00 0.00 O ATOM 313 CB PRO A 21 4.400 0.515 1.154 1.00 0.00 C ATOM 314 CG PRO A 21 5.706 -0.228 1.411 1.00 0.00 C ATOM 315 CD PRO A 21 5.357 -1.693 1.159 1.00 0.00 C ATOM 0 HA PRO A 21 2.633 -0.291 0.149 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.579 1.536 0.818 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.790 0.578 2.055 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.497 0.114 0.744 1.00 0.00 H new ATOM 0 HG3 PRO A 21 6.059 -0.072 2.430 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.196 -2.221 0.705 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.126 -2.205 2.093 1.00 0.00 H new ATOM 323 N LYS A 22 3.384 1.374 -1.632 1.00 0.00 N ATOM 324 CA LYS A 22 3.403 2.147 -2.882 1.00 0.00 C ATOM 325 C LYS A 22 3.570 3.643 -2.553 1.00 0.00 C ATOM 326 O LYS A 22 2.952 4.113 -1.595 1.00 0.00 O ATOM 327 CB LYS A 22 2.065 1.934 -3.633 1.00 0.00 C ATOM 328 CG LYS A 22 1.523 0.498 -3.729 1.00 0.00 C ATOM 329 CD LYS A 22 2.429 -0.427 -4.543 1.00 0.00 C ATOM 330 CE LYS A 22 1.924 -1.862 -4.408 1.00 0.00 C ATOM 331 NZ LYS A 22 2.844 -2.818 -5.050 1.00 0.00 N ATOM 0 H LYS A 22 2.808 1.836 -0.929 1.00 0.00 H new ATOM 0 HA LYS A 22 4.232 1.815 -3.507 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.306 2.548 -3.148 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.184 2.317 -4.647 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.406 0.091 -2.724 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.532 0.519 -4.182 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.431 -0.126 -5.590 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.457 -0.355 -4.188 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.814 -2.113 -3.353 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.936 -1.946 -4.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.473 -3.783 -4.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.929 -2.592 -6.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.780 -2.754 -4.601 1.00 0.00 H new ATOM 345 N CYS A 23 4.313 4.417 -3.355 1.00 0.00 N ATOM 346 CA CYS A 23 4.545 5.852 -3.105 1.00 0.00 C ATOM 347 C CYS A 23 4.371 6.713 -4.357 1.00 0.00 C ATOM 348 O CYS A 23 4.451 6.231 -5.485 1.00 0.00 O ATOM 349 CB CYS A 23 5.966 6.090 -2.553 1.00 0.00 C ATOM 350 SG CYS A 23 6.621 4.904 -1.356 1.00 0.00 S ATOM 0 H CYS A 23 4.772 4.069 -4.197 1.00 0.00 H new ATOM 0 HA CYS A 23 3.792 6.148 -2.375 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.652 6.123 -3.400 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.983 7.076 -2.090 1.00 0.00 H new ATOM 355 N ASP A 24 4.151 8.010 -4.131 1.00 0.00 N ATOM 356 CA ASP A 24 4.022 9.039 -5.152 1.00 0.00 C ATOM 357 C ASP A 24 5.343 9.790 -5.418 1.00 0.00 C ATOM 358 O ASP A 24 6.342 9.610 -4.719 1.00 0.00 O ATOM 359 CB ASP A 24 2.859 9.981 -4.780 1.00 0.00 C ATOM 360 CG ASP A 24 2.979 10.612 -3.391 1.00 0.00 C ATOM 361 OD1 ASP A 24 4.110 11.002 -3.023 1.00 0.00 O ATOM 362 OD2 ASP A 24 1.937 10.681 -2.707 1.00 0.00 O ATOM 0 H ASP A 24 4.054 8.383 -3.187 1.00 0.00 H new ATOM 0 HA ASP A 24 3.787 8.558 -6.101 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.799 10.776 -5.523 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.924 9.423 -4.833 1.00 0.00 H new ATOM 367 N GLU A 25 5.340 10.682 -6.416 1.00 0.00 N ATOM 368 CA GLU A 25 6.482 11.537 -6.771 1.00 0.00 C ATOM 369 C GLU A 25 6.942 12.461 -5.630 1.00 0.00 C ATOM 370 O GLU A 25 8.086 12.905 -5.613 1.00 0.00 O ATOM 371 CB GLU A 25 6.182 12.342 -8.054 1.00 0.00 C ATOM 372 CG GLU A 25 5.185 13.521 -7.940 1.00 0.00 C ATOM 373 CD GLU A 25 3.694 13.158 -7.869 1.00 0.00 C ATOM 374 OE1 GLU A 25 3.365 11.949 -7.906 1.00 0.00 O ATOM 375 OE2 GLU A 25 2.893 14.118 -7.807 1.00 0.00 O ATOM 0 H GLU A 25 4.527 10.834 -7.013 1.00 0.00 H new ATOM 0 HA GLU A 25 7.319 10.864 -6.960 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.125 12.735 -8.433 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.800 11.650 -8.804 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.438 14.096 -7.049 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.335 14.178 -8.797 1.00 0.00 H new ATOM 382 N ASN A 26 6.062 12.716 -4.659 1.00 0.00 N ATOM 383 CA ASN A 26 6.294 13.492 -3.444 1.00 0.00 C ATOM 384 C ASN A 26 6.918 12.627 -2.326 1.00 0.00 C ATOM 385 O ASN A 26 7.010 13.075 -1.182 1.00 0.00 O ATOM 386 CB ASN A 26 4.957 14.124 -2.985 1.00 0.00 C ATOM 387 CG ASN A 26 4.010 14.470 -4.131 1.00 0.00 C ATOM 388 OD1 ASN A 26 3.363 13.602 -4.700 1.00 0.00 O ATOM 389 ND2 ASN A 26 3.921 15.724 -4.524 1.00 0.00 N ATOM 0 H ASN A 26 5.107 12.362 -4.706 1.00 0.00 H new ATOM 0 HA ASN A 26 7.011 14.284 -3.662 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.454 13.434 -2.307 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.171 15.030 -2.417 1.00 0.00 H new ATOM 0 HD21 ASN A 26 3.312 15.972 -5.304 1.00 0.00 H new ATOM 0 HD22 ASN A 26 4.461 16.447 -4.049 1.00 0.00 H new ATOM 396 N GLY A 27 7.277 11.367 -2.618 1.00 0.00 N ATOM 397 CA GLY A 27 7.848 10.403 -1.676 1.00 0.00 C ATOM 398 C GLY A 27 6.892 9.961 -0.564 1.00 0.00 C ATOM 399 O GLY A 27 7.315 9.273 0.363 1.00 0.00 O ATOM 0 H GLY A 27 7.171 10.980 -3.556 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.174 9.522 -2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.737 10.841 -1.221 1.00 0.00 H new ATOM 403 N ASN A 28 5.622 10.361 -0.630 1.00 0.00 N ATOM 404 CA ASN A 28 4.586 10.020 0.333 1.00 0.00 C ATOM 405 C ASN A 28 3.889 8.726 -0.108 1.00 0.00 C ATOM 406 O ASN A 28 3.982 8.333 -1.275 1.00 0.00 O ATOM 407 CB ASN A 28 3.610 11.206 0.424 1.00 0.00 C ATOM 408 CG ASN A 28 4.107 12.332 1.321 1.00 0.00 C ATOM 409 OD1 ASN A 28 3.527 12.614 2.357 1.00 0.00 O ATOM 410 ND2 ASN A 28 5.177 13.024 0.977 1.00 0.00 N ATOM 0 H ASN A 28 5.278 10.954 -1.386 1.00 0.00 H new ATOM 0 HA ASN A 28 5.005 9.840 1.323 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.434 11.600 -0.577 1.00 0.00 H new ATOM 0 HB3 ASN A 28 2.651 10.849 0.799 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.508 13.782 1.574 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.673 12.801 0.114 1.00 0.00 H new ATOM 417 N TYR A 29 3.178 8.071 0.816 1.00 0.00 N ATOM 418 CA TYR A 29 2.401 6.873 0.510 1.00 0.00 C ATOM 419 C TYR A 29 1.318 7.210 -0.513 1.00 0.00 C ATOM 420 O TYR A 29 0.542 8.146 -0.314 1.00 0.00 O ATOM 421 CB TYR A 29 1.806 6.256 1.784 1.00 0.00 C ATOM 422 CG TYR A 29 2.833 5.628 2.713 1.00 0.00 C ATOM 423 CD1 TYR A 29 3.465 6.411 3.698 1.00 0.00 C ATOM 424 CD2 TYR A 29 3.166 4.264 2.584 1.00 0.00 C ATOM 425 CE1 TYR A 29 4.426 5.840 4.552 1.00 0.00 C ATOM 426 CE2 TYR A 29 4.148 3.692 3.419 1.00 0.00 C ATOM 427 CZ TYR A 29 4.782 4.483 4.403 1.00 0.00 C ATOM 428 OH TYR A 29 5.762 3.963 5.188 1.00 0.00 O ATOM 0 H TYR A 29 3.127 8.358 1.793 1.00 0.00 H new ATOM 0 HA TYR A 29 3.063 6.123 0.077 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.264 7.029 2.329 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.078 5.496 1.500 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.211 7.456 3.798 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.668 3.656 1.844 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.891 6.440 5.321 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.415 2.652 3.306 1.00 0.00 H new ATOM 0 HH TYR A 29 6.056 3.105 4.818 1.00 0.00 H new ATOM 438 N LEU A 30 1.278 6.448 -1.613 1.00 0.00 N ATOM 439 CA LEU A 30 0.231 6.585 -2.622 1.00 0.00 C ATOM 440 C LEU A 30 -1.142 6.424 -1.934 1.00 0.00 C ATOM 441 O LEU A 30 -1.270 5.517 -1.109 1.00 0.00 O ATOM 442 CB LEU A 30 0.398 5.529 -3.737 1.00 0.00 C ATOM 443 CG LEU A 30 0.951 6.085 -5.060 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.366 4.929 -5.973 1.00 0.00 C ATOM 445 CD2 LEU A 30 -0.062 6.960 -5.800 1.00 0.00 C ATOM 0 H LEU A 30 1.967 5.726 -1.824 1.00 0.00 H new ATOM 0 HA LEU A 30 0.303 7.569 -3.085 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.064 4.744 -3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.569 5.064 -3.928 1.00 0.00 H new ATOM 0 HG LEU A 30 1.809 6.708 -4.808 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.757 5.327 -6.909 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.137 4.335 -5.481 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.500 4.300 -6.180 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.381 7.326 -6.726 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.951 6.372 -6.030 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.339 7.806 -5.172 1.00 0.00 H new ATOM 457 N PRO A 31 -2.175 7.230 -2.258 1.00 0.00 N ATOM 458 CA PRO A 31 -3.489 7.147 -1.617 1.00 0.00 C ATOM 459 C PRO A 31 -4.113 5.746 -1.543 1.00 0.00 C ATOM 460 O PRO A 31 -4.874 5.495 -0.616 1.00 0.00 O ATOM 461 CB PRO A 31 -4.376 8.119 -2.395 1.00 0.00 C ATOM 462 CG PRO A 31 -3.390 9.206 -2.805 1.00 0.00 C ATOM 463 CD PRO A 31 -2.133 8.397 -3.129 1.00 0.00 C ATOM 0 HA PRO A 31 -3.384 7.405 -0.563 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.839 7.643 -3.260 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.183 8.514 -1.779 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.743 9.772 -3.667 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.217 9.923 -2.002 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.118 8.101 -4.178 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.233 8.985 -2.951 1.00 0.00 H new ATOM 471 N LEU A 32 -3.790 4.831 -2.469 1.00 0.00 N ATOM 472 CA LEU A 32 -4.131 3.405 -2.414 1.00 0.00 C ATOM 473 C LEU A 32 -2.890 2.592 -2.011 1.00 0.00 C ATOM 474 O LEU A 32 -1.812 2.788 -2.573 1.00 0.00 O ATOM 475 CB LEU A 32 -4.633 2.963 -3.803 1.00 0.00 C ATOM 476 CG LEU A 32 -5.113 1.495 -3.889 1.00 0.00 C ATOM 477 CD1 LEU A 32 -6.521 1.287 -3.346 1.00 0.00 C ATOM 478 CD2 LEU A 32 -5.093 1.033 -5.342 1.00 0.00 C ATOM 0 H LEU A 32 -3.264 5.075 -3.308 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.913 3.234 -1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.454 3.616 -4.100 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.831 3.110 -4.526 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.428 0.914 -3.272 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.794 0.236 -3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.554 1.581 -2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.224 1.895 -3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.432 -0.001 -5.400 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.755 1.665 -5.934 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.078 1.105 -5.733 1.00 0.00 H new ATOM 490 N GLN A 33 -3.059 1.635 -1.093 1.00 0.00 N ATOM 491 CA GLN A 33 -2.056 0.624 -0.747 1.00 0.00 C ATOM 492 C GLN A 33 -2.681 -0.769 -0.889 1.00 0.00 C ATOM 493 O GLN A 33 -3.883 -0.935 -0.670 1.00 0.00 O ATOM 494 CB GLN A 33 -1.559 0.824 0.693 1.00 0.00 C ATOM 495 CG GLN A 33 -0.913 2.186 0.973 1.00 0.00 C ATOM 496 CD GLN A 33 0.395 2.438 0.235 1.00 0.00 C ATOM 497 OE1 GLN A 33 1.372 1.718 0.378 1.00 0.00 O ATOM 498 NE2 GLN A 33 0.498 3.500 -0.529 1.00 0.00 N ATOM 0 H GLN A 33 -3.921 1.540 -0.556 1.00 0.00 H new ATOM 0 HA GLN A 33 -1.205 0.722 -1.421 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.400 0.691 1.373 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.836 0.042 0.924 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.621 2.970 0.705 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.732 2.273 2.044 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.306 4.113 -0.661 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.382 3.712 -0.991 1.00 0.00 H new ATOM 507 N CYS A 34 -1.867 -1.778 -1.224 1.00 0.00 N ATOM 508 CA CYS A 34 -2.343 -3.145 -1.422 1.00 0.00 C ATOM 509 C CYS A 34 -1.411 -4.191 -0.803 1.00 0.00 C ATOM 510 O CYS A 34 -0.204 -4.011 -0.678 1.00 0.00 O ATOM 511 CB CYS A 34 -2.568 -3.414 -2.919 1.00 0.00 C ATOM 512 SG CYS A 34 -3.838 -2.414 -3.753 1.00 0.00 S ATOM 0 H CYS A 34 -0.863 -1.666 -1.364 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.294 -3.239 -0.898 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.621 -3.261 -3.437 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -2.831 -4.465 -3.039 1.00 0.00 H new ATOM 517 N TYR A 35 -2.009 -5.327 -0.459 1.00 0.00 N ATOM 518 CA TYR A 35 -1.419 -6.511 0.148 1.00 0.00 C ATOM 519 C TYR A 35 -1.838 -7.696 -0.735 1.00 0.00 C ATOM 520 O TYR A 35 -2.626 -8.564 -0.350 1.00 0.00 O ATOM 521 CB TYR A 35 -1.891 -6.544 1.611 1.00 0.00 C ATOM 522 CG TYR A 35 -1.263 -7.512 2.599 1.00 0.00 C ATOM 523 CD1 TYR A 35 -0.611 -8.693 2.194 1.00 0.00 C ATOM 524 CD2 TYR A 35 -1.406 -7.237 3.975 1.00 0.00 C ATOM 525 CE1 TYR A 35 -0.153 -9.607 3.158 1.00 0.00 C ATOM 526 CE2 TYR A 35 -0.905 -8.128 4.940 1.00 0.00 C ATOM 527 CZ TYR A 35 -0.280 -9.324 4.535 1.00 0.00 C ATOM 528 OH TYR A 35 0.200 -10.183 5.475 1.00 0.00 O ATOM 0 H TYR A 35 -3.010 -5.452 -0.613 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.330 -6.534 0.193 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.759 -5.540 2.015 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.962 -6.745 1.600 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.463 -8.896 1.144 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.905 -6.333 4.290 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.301 -10.535 2.842 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.999 -7.896 5.991 1.00 0.00 H new ATOM 0 HH TYR A 35 0.387 -11.051 5.060 1.00 0.00 H new ATOM 538 N GLY A 36 -1.312 -7.690 -1.969 1.00 0.00 N ATOM 539 CA GLY A 36 -1.665 -8.628 -3.037 1.00 0.00 C ATOM 540 C GLY A 36 -1.508 -10.096 -2.639 1.00 0.00 C ATOM 541 O GLY A 36 -2.313 -10.923 -3.056 1.00 0.00 O ATOM 0 H GLY A 36 -0.608 -7.010 -2.257 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.697 -8.450 -3.339 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.040 -8.427 -3.907 1.00 0.00 H new ATOM 545 N SER A 37 -0.547 -10.404 -1.760 1.00 0.00 N ATOM 546 CA SER A 37 -0.309 -11.734 -1.193 1.00 0.00 C ATOM 547 C SER A 37 -1.491 -12.318 -0.399 1.00 0.00 C ATOM 548 O SER A 37 -1.477 -13.514 -0.117 1.00 0.00 O ATOM 549 CB SER A 37 0.967 -11.705 -0.348 1.00 0.00 C ATOM 550 OG SER A 37 2.024 -11.199 -1.141 1.00 0.00 O ATOM 0 H SER A 37 0.110 -9.706 -1.412 1.00 0.00 H new ATOM 0 HA SER A 37 -0.189 -12.413 -2.038 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.823 -11.080 0.533 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.208 -12.707 0.008 1.00 0.00 H new ATOM 0 HG SER A 37 2.781 -10.963 -0.565 1.00 0.00 H new ATOM 556 N ILE A 38 -2.516 -11.515 -0.062 1.00 0.00 N ATOM 557 CA ILE A 38 -3.811 -11.943 0.471 1.00 0.00 C ATOM 558 C ILE A 38 -4.987 -11.370 -0.355 1.00 0.00 C ATOM 559 O ILE A 38 -6.142 -11.505 0.039 1.00 0.00 O ATOM 560 CB ILE A 38 -3.929 -11.592 1.968 1.00 0.00 C ATOM 561 CG1 ILE A 38 -3.961 -10.073 2.232 1.00 0.00 C ATOM 562 CG2 ILE A 38 -2.840 -12.307 2.791 1.00 0.00 C ATOM 563 CD1 ILE A 38 -4.310 -9.684 3.673 1.00 0.00 C ATOM 0 H ILE A 38 -2.455 -10.502 -0.161 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.869 -13.028 0.382 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.896 -11.964 2.305 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.987 -9.653 1.982 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.687 -9.616 1.560 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.946 -12.042 3.843 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.946 -13.386 2.676 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.856 -12.000 2.437 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.309 -8.598 3.767 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.298 -10.069 3.925 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.571 -10.108 4.353 1.00 0.00 H new ATOM 575 N GLY A 39 -4.704 -10.704 -1.484 1.00 0.00 N ATOM 576 CA GLY A 39 -5.681 -10.091 -2.387 1.00 0.00 C ATOM 577 C GLY A 39 -6.247 -8.739 -1.931 1.00 0.00 C ATOM 578 O GLY A 39 -7.197 -8.261 -2.543 1.00 0.00 O ATOM 0 H GLY A 39 -3.744 -10.574 -1.804 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.214 -9.959 -3.363 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.510 -10.785 -2.522 1.00 0.00 H new ATOM 582 N TYR A 40 -5.724 -8.129 -0.861 1.00 0.00 N ATOM 583 CA TYR A 40 -6.348 -6.950 -0.240 1.00 0.00 C ATOM 584 C TYR A 40 -5.802 -5.606 -0.746 1.00 0.00 C ATOM 585 O TYR A 40 -4.647 -5.507 -1.158 1.00 0.00 O ATOM 586 CB TYR A 40 -6.135 -6.989 1.287 1.00 0.00 C ATOM 587 CG TYR A 40 -7.177 -7.713 2.123 1.00 0.00 C ATOM 588 CD1 TYR A 40 -7.696 -8.965 1.735 1.00 0.00 C ATOM 589 CD2 TYR A 40 -7.586 -7.139 3.345 1.00 0.00 C ATOM 590 CE1 TYR A 40 -8.606 -9.639 2.570 1.00 0.00 C ATOM 591 CE2 TYR A 40 -8.498 -7.807 4.182 1.00 0.00 C ATOM 592 CZ TYR A 40 -9.006 -9.064 3.795 1.00 0.00 C ATOM 593 OH TYR A 40 -9.892 -9.724 4.586 1.00 0.00 O ATOM 0 H TYR A 40 -4.865 -8.433 -0.403 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.402 -7.005 -0.514 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.168 -7.453 1.480 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.072 -5.961 1.644 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.395 -9.407 0.797 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -7.195 -6.177 3.641 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.000 -10.600 2.272 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -8.807 -7.360 5.115 1.00 0.00 H new ATOM 0 HH TYR A 40 -10.065 -9.197 5.394 1.00 0.00 H new ATOM 603 N CYS A 41 -6.614 -4.553 -0.600 1.00 0.00 N ATOM 604 CA CYS A 41 -6.244 -3.143 -0.736 1.00 0.00 C ATOM 605 C CYS A 41 -7.027 -2.297 0.276 1.00 0.00 C ATOM 606 O CYS A 41 -8.099 -2.692 0.742 1.00 0.00 O ATOM 607 CB CYS A 41 -6.469 -2.591 -2.151 1.00 0.00 C ATOM 608 SG CYS A 41 -5.615 -3.412 -3.527 1.00 0.00 S ATOM 0 H CYS A 41 -7.601 -4.670 -0.371 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.174 -3.082 -0.537 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.539 -2.621 -2.356 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.173 -1.542 -2.152 1.00 0.00 H new ATOM 613 N TRP A 42 -6.491 -1.119 0.593 1.00 0.00 N ATOM 614 CA TRP A 42 -7.143 -0.063 1.368 1.00 0.00 C ATOM 615 C TRP A 42 -6.638 1.301 0.890 1.00 0.00 C ATOM 616 O TRP A 42 -5.595 1.396 0.235 1.00 0.00 O ATOM 617 CB TRP A 42 -6.870 -0.250 2.866 1.00 0.00 C ATOM 618 CG TRP A 42 -5.427 -0.291 3.256 1.00 0.00 C ATOM 619 CD1 TRP A 42 -4.668 0.764 3.635 1.00 0.00 C ATOM 620 CD2 TRP A 42 -4.550 -1.454 3.275 1.00 0.00 C ATOM 621 NE1 TRP A 42 -3.389 0.322 3.923 1.00 0.00 N ATOM 622 CE2 TRP A 42 -3.260 -1.032 3.704 1.00 0.00 C ATOM 623 CE3 TRP A 42 -4.714 -2.822 2.968 1.00 0.00 C ATOM 624 CZ2 TRP A 42 -2.184 -1.920 3.830 1.00 0.00 C ATOM 625 CZ3 TRP A 42 -3.642 -3.724 3.087 1.00 0.00 C ATOM 626 CH2 TRP A 42 -2.382 -3.278 3.522 1.00 0.00 C ATOM 0 H TRP A 42 -5.547 -0.863 0.303 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.221 -0.116 1.216 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.353 0.562 3.410 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.343 -1.177 3.191 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -5.007 1.787 3.702 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.636 0.924 4.256 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -5.677 -3.181 2.637 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.217 -1.567 4.159 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.788 -4.766 2.843 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -1.566 -3.978 3.620 1.00 0.00 H new ATOM 637 N CYS A 43 -7.347 2.370 1.259 1.00 0.00 N ATOM 638 CA CYS A 43 -6.826 3.718 1.059 1.00 0.00 C ATOM 639 C CYS A 43 -6.022 4.144 2.287 1.00 0.00 C ATOM 640 O CYS A 43 -6.314 3.716 3.405 1.00 0.00 O ATOM 641 CB CYS A 43 -7.945 4.730 0.801 1.00 0.00 C ATOM 642 SG CYS A 43 -8.981 4.419 -0.644 1.00 0.00 S ATOM 0 H CYS A 43 -8.270 2.328 1.691 1.00 0.00 H new ATOM 0 HA CYS A 43 -6.184 3.700 0.178 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.586 4.764 1.682 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.496 5.718 0.695 1.00 0.00 H new ATOM 647 N VAL A 44 -5.062 5.046 2.101 1.00 0.00 N ATOM 648 CA VAL A 44 -4.288 5.682 3.167 1.00 0.00 C ATOM 649 C VAL A 44 -4.210 7.193 2.949 1.00 0.00 C ATOM 650 O VAL A 44 -4.373 7.683 1.832 1.00 0.00 O ATOM 651 CB VAL A 44 -2.840 5.145 3.246 1.00 0.00 C ATOM 652 CG1 VAL A 44 -2.779 3.650 3.561 1.00 0.00 C ATOM 653 CG2 VAL A 44 -2.025 5.417 1.976 1.00 0.00 C ATOM 0 H VAL A 44 -4.791 5.367 1.171 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.807 5.448 4.096 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.393 5.700 4.071 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.738 3.329 3.604 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.257 3.461 4.522 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.299 3.092 2.782 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.019 5.015 2.096 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.508 4.938 1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.968 6.492 1.803 1.00 0.00 H new ATOM 663 N PHE A 45 -3.920 7.934 4.017 1.00 0.00 N ATOM 664 CA PHE A 45 -3.511 9.332 3.906 1.00 0.00 C ATOM 665 C PHE A 45 -2.013 9.351 3.508 1.00 0.00 C ATOM 666 O PHE A 45 -1.331 8.345 3.716 1.00 0.00 O ATOM 667 CB PHE A 45 -3.781 10.039 5.242 1.00 0.00 C ATOM 668 CG PHE A 45 -5.263 10.173 5.544 1.00 0.00 C ATOM 669 CD1 PHE A 45 -6.035 11.125 4.848 1.00 0.00 C ATOM 670 CD2 PHE A 45 -5.884 9.333 6.488 1.00 0.00 C ATOM 671 CE1 PHE A 45 -7.415 11.235 5.097 1.00 0.00 C ATOM 672 CE2 PHE A 45 -7.261 9.447 6.742 1.00 0.00 C ATOM 673 CZ PHE A 45 -8.028 10.397 6.046 1.00 0.00 C ATOM 0 H PHE A 45 -3.961 7.586 4.975 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.076 9.868 3.143 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.299 9.483 6.046 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.327 11.030 5.222 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.566 11.772 4.122 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -5.299 8.597 7.020 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -8.004 11.963 4.559 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.730 8.804 7.472 1.00 0.00 H new ATOM 0 HZ PHE A 45 -9.087 10.484 6.240 1.00 0.00 H new ATOM 683 N PRO A 46 -1.454 10.456 2.973 1.00 0.00 N ATOM 684 CA PRO A 46 -0.071 10.509 2.462 1.00 0.00 C ATOM 685 C PRO A 46 1.033 10.015 3.422 1.00 0.00 C ATOM 686 O PRO A 46 2.080 9.543 2.980 1.00 0.00 O ATOM 687 CB PRO A 46 0.142 11.976 2.068 1.00 0.00 C ATOM 688 CG PRO A 46 -1.256 12.435 1.667 1.00 0.00 C ATOM 689 CD PRO A 46 -2.154 11.693 2.654 1.00 0.00 C ATOM 0 HA PRO A 46 0.026 9.809 1.633 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.536 12.563 2.898 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.850 12.073 1.245 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.367 13.516 1.754 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.487 12.173 0.635 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.325 12.288 3.551 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.131 11.488 2.216 1.00 0.00 H new ATOM 697 N ASN A 47 0.787 10.071 4.736 1.00 0.00 N ATOM 698 CA ASN A 47 1.646 9.550 5.797 1.00 0.00 C ATOM 699 C ASN A 47 1.577 8.018 6.012 1.00 0.00 C ATOM 700 O ASN A 47 2.378 7.489 6.780 1.00 0.00 O ATOM 701 CB ASN A 47 1.326 10.315 7.094 1.00 0.00 C ATOM 702 CG ASN A 47 -0.129 10.189 7.528 1.00 0.00 C ATOM 703 OD1 ASN A 47 -0.715 9.116 7.539 1.00 0.00 O ATOM 704 ND2 ASN A 47 -0.773 11.284 7.878 1.00 0.00 N ATOM 0 H ASN A 47 -0.061 10.504 5.103 1.00 0.00 H new ATOM 0 HA ASN A 47 2.677 9.717 5.484 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.969 9.946 7.893 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.566 11.369 6.954 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.753 11.233 8.155 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -0.291 12.183 7.872 1.00 0.00 H new ATOM 711 N GLY A 48 0.653 7.309 5.349 1.00 0.00 N ATOM 712 CA GLY A 48 0.456 5.858 5.440 1.00 0.00 C ATOM 713 C GLY A 48 -0.721 5.417 6.324 1.00 0.00 C ATOM 714 O GLY A 48 -0.987 4.221 6.419 1.00 0.00 O ATOM 0 H GLY A 48 -0.005 7.751 4.707 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.304 5.463 4.435 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.370 5.406 5.825 1.00 0.00 H new ATOM 718 N THR A 49 -1.438 6.351 6.963 1.00 0.00 N ATOM 719 CA THR A 49 -2.564 6.056 7.867 1.00 0.00 C ATOM 720 C THR A 49 -3.769 5.555 7.074 1.00 0.00 C ATOM 721 O THR A 49 -4.340 6.314 6.295 1.00 0.00 O ATOM 722 CB THR A 49 -2.976 7.288 8.692 1.00 0.00 C ATOM 723 OG1 THR A 49 -1.865 7.802 9.382 1.00 0.00 O ATOM 724 CG2 THR A 49 -4.046 6.966 9.737 1.00 0.00 C ATOM 0 H THR A 49 -1.251 7.349 6.867 1.00 0.00 H new ATOM 0 HA THR A 49 -2.226 5.281 8.555 1.00 0.00 H new ATOM 0 HB THR A 49 -3.377 8.009 7.979 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.486 8.553 8.879 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.299 7.871 10.290 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.937 6.584 9.239 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.665 6.214 10.428 1.00 0.00 H new ATOM 732 N GLU A 50 -4.152 4.289 7.266 1.00 0.00 N ATOM 733 CA GLU A 50 -5.310 3.660 6.625 1.00 0.00 C ATOM 734 C GLU A 50 -6.634 4.397 6.881 1.00 0.00 C ATOM 735 O GLU A 50 -6.978 4.724 8.016 1.00 0.00 O ATOM 736 CB GLU A 50 -5.384 2.186 7.061 1.00 0.00 C ATOM 737 CG GLU A 50 -6.581 1.430 6.451 1.00 0.00 C ATOM 738 CD GLU A 50 -6.498 -0.094 6.607 1.00 0.00 C ATOM 739 OE1 GLU A 50 -5.371 -0.631 6.696 1.00 0.00 O ATOM 740 OE2 GLU A 50 -7.572 -0.735 6.616 1.00 0.00 O ATOM 0 H GLU A 50 -3.651 3.656 7.889 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.165 3.720 5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.461 1.683 6.774 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.449 2.138 8.148 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.499 1.784 6.920 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.650 1.674 5.391 1.00 0.00 H new ATOM 747 N VAL A 51 -7.406 4.581 5.806 1.00 0.00 N ATOM 748 CA VAL A 51 -8.789 5.055 5.821 1.00 0.00 C ATOM 749 C VAL A 51 -9.684 3.833 6.091 1.00 0.00 C ATOM 750 O VAL A 51 -9.755 2.935 5.238 1.00 0.00 O ATOM 751 CB VAL A 51 -9.175 5.708 4.479 1.00 0.00 C ATOM 752 CG1 VAL A 51 -10.593 6.291 4.543 1.00 0.00 C ATOM 753 CG2 VAL A 51 -8.216 6.838 4.076 1.00 0.00 C ATOM 0 H VAL A 51 -7.068 4.395 4.862 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.913 5.815 6.592 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.118 4.914 3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.843 6.746 3.585 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.304 5.495 4.763 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.641 7.047 5.327 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.534 7.263 3.124 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.226 7.614 4.841 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.206 6.440 3.976 1.00 0.00 H new ATOM 763 N PRO A 52 -10.338 3.750 7.269 1.00 0.00 N ATOM 764 CA PRO A 52 -11.079 2.560 7.676 1.00 0.00 C ATOM 765 C PRO A 52 -12.259 2.274 6.742 1.00 0.00 C ATOM 766 O PRO A 52 -12.695 3.129 5.972 1.00 0.00 O ATOM 767 CB PRO A 52 -11.517 2.819 9.123 1.00 0.00 C ATOM 768 CG PRO A 52 -11.587 4.341 9.203 1.00 0.00 C ATOM 769 CD PRO A 52 -10.447 4.784 8.289 1.00 0.00 C ATOM 0 HA PRO A 52 -10.462 1.663 7.614 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.482 2.360 9.339 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.803 2.411 9.838 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.550 4.720 8.860 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.449 4.699 10.223 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.658 5.755 7.842 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.515 4.885 8.846 1.00 0.00 H new ATOM 777 N ASN A 53 -12.749 1.032 6.791 1.00 0.00 N ATOM 778 CA ASN A 53 -13.804 0.479 5.935 1.00 0.00 C ATOM 779 C ASN A 53 -13.515 0.487 4.418 1.00 0.00 C ATOM 780 O ASN A 53 -14.312 -0.077 3.671 1.00 0.00 O ATOM 781 CB ASN A 53 -15.163 1.114 6.294 1.00 0.00 C ATOM 782 CG ASN A 53 -15.560 0.854 7.740 1.00 0.00 C ATOM 783 OD1 ASN A 53 -15.136 1.532 8.662 1.00 0.00 O ATOM 784 ND2 ASN A 53 -16.376 -0.152 7.987 1.00 0.00 N ATOM 0 H ASN A 53 -12.402 0.349 7.464 1.00 0.00 H new ATOM 0 HA ASN A 53 -13.838 -0.587 6.158 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.116 2.189 6.121 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.933 0.718 5.632 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.651 -0.362 8.947 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -16.732 -0.720 7.219 1.00 0.00 H new ATOM 791 N THR A 54 -12.379 1.025 3.944 1.00 0.00 N ATOM 792 CA THR A 54 -11.952 0.853 2.545 1.00 0.00 C ATOM 793 C THR A 54 -11.479 -0.577 2.309 1.00 0.00 C ATOM 794 O THR A 54 -11.678 -1.107 1.219 1.00 0.00 O ATOM 795 CB THR A 54 -10.846 1.836 2.114 1.00 0.00 C ATOM 796 OG1 THR A 54 -9.688 1.748 2.926 1.00 0.00 O ATOM 797 CG2 THR A 54 -11.366 3.273 2.159 1.00 0.00 C ATOM 0 H THR A 54 -11.739 1.583 4.509 1.00 0.00 H new ATOM 0 HA THR A 54 -12.828 1.071 1.933 1.00 0.00 H new ATOM 0 HB THR A 54 -10.569 1.559 1.097 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.939 1.860 3.867 1.00 0.00 H new ATOM 0 HG21 THR A 54 -10.574 3.956 1.852 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.215 3.374 1.483 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.680 3.515 3.174 1.00 0.00 H new ATOM 805 N ARG A 55 -10.907 -1.208 3.345 1.00 0.00 N ATOM 806 CA ARG A 55 -10.233 -2.505 3.328 1.00 0.00 C ATOM 807 C ARG A 55 -11.026 -3.579 2.568 1.00 0.00 C ATOM 808 O ARG A 55 -11.945 -4.192 3.115 1.00 0.00 O ATOM 809 CB ARG A 55 -9.866 -2.906 4.765 1.00 0.00 C ATOM 810 CG ARG A 55 -9.118 -4.247 4.812 1.00 0.00 C ATOM 811 CD ARG A 55 -8.437 -4.489 6.163 1.00 0.00 C ATOM 812 NE ARG A 55 -7.189 -3.722 6.268 1.00 0.00 N ATOM 813 CZ ARG A 55 -5.949 -4.165 6.089 1.00 0.00 C ATOM 814 NH1 ARG A 55 -5.685 -5.429 5.863 1.00 0.00 N ATOM 815 NH2 ARG A 55 -4.937 -3.332 6.132 1.00 0.00 N ATOM 0 H ARG A 55 -10.906 -0.794 4.277 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.307 -2.414 2.761 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.246 -2.129 5.212 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.773 -2.975 5.366 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.818 -5.058 4.611 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.368 -4.270 4.021 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.112 -4.205 6.971 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.226 -5.552 6.283 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.285 -2.735 6.506 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.444 -6.109 5.820 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -4.720 -5.733 5.730 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.100 -2.340 6.303 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.987 -3.676 5.994 1.00 0.00 H new ATOM 829 N SER A 56 -10.642 -3.816 1.311 1.00 0.00 N ATOM 830 CA SER A 56 -11.365 -4.641 0.334 1.00 0.00 C ATOM 831 C SER A 56 -10.441 -5.670 -0.324 1.00 0.00 C ATOM 832 O SER A 56 -9.224 -5.512 -0.303 1.00 0.00 O ATOM 833 CB SER A 56 -11.985 -3.755 -0.757 1.00 0.00 C ATOM 834 OG SER A 56 -12.882 -2.800 -0.229 1.00 0.00 O ATOM 0 H SER A 56 -9.782 -3.422 0.928 1.00 0.00 H new ATOM 0 HA SER A 56 -12.151 -5.171 0.873 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.191 -3.242 -1.300 1.00 0.00 H new ATOM 0 HB3 SER A 56 -12.509 -4.383 -1.477 1.00 0.00 H new ATOM 0 HG SER A 56 -12.478 -2.370 0.553 1.00 0.00 H new ATOM 840 N ARG A 57 -11.019 -6.666 -1.010 1.00 0.00 N ATOM 841 CA ARG A 57 -10.355 -7.688 -1.842 1.00 0.00 C ATOM 842 C ARG A 57 -9.972 -7.138 -3.237 1.00 0.00 C ATOM 843 O ARG A 57 -9.871 -7.874 -4.216 1.00 0.00 O ATOM 844 CB ARG A 57 -11.255 -8.944 -1.942 1.00 0.00 C ATOM 845 CG ARG A 57 -11.265 -9.878 -0.716 1.00 0.00 C ATOM 846 CD ARG A 57 -12.135 -9.426 0.466 1.00 0.00 C ATOM 847 NE ARG A 57 -11.399 -8.555 1.392 1.00 0.00 N ATOM 848 CZ ARG A 57 -11.890 -7.541 2.086 1.00 0.00 C ATOM 849 NH1 ARG A 57 -13.161 -7.221 2.067 1.00 0.00 N ATOM 850 NH2 ARG A 57 -11.094 -6.788 2.800 1.00 0.00 N ATOM 0 H ARG A 57 -12.031 -6.790 -1.000 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.418 -7.971 -1.361 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -12.278 -8.618 -2.131 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -10.939 -9.523 -2.810 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -11.605 -10.863 -1.037 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.240 -9.994 -0.364 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.011 -8.897 0.090 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -12.498 -10.302 1.004 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.406 -8.752 1.513 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -13.815 -7.762 1.501 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.496 -6.431 2.618 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -10.093 -6.982 2.823 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.474 -6.007 3.334 1.00 0.00 H new ATOM 864 N GLY A 58 -9.826 -5.816 -3.340 1.00 0.00 N ATOM 865 CA GLY A 58 -9.525 -5.107 -4.582 1.00 0.00 C ATOM 866 C GLY A 58 -9.584 -3.586 -4.471 1.00 0.00 C ATOM 867 O GLY A 58 -9.720 -3.020 -3.388 1.00 0.00 O ATOM 0 H GLY A 58 -9.917 -5.192 -2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.529 -5.396 -4.919 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.228 -5.430 -5.350 1.00 0.00 H new ATOM 871 N HIS A 59 -9.429 -2.955 -5.636 1.00 0.00 N ATOM 872 CA HIS A 59 -9.223 -1.527 -5.862 1.00 0.00 C ATOM 873 C HIS A 59 -10.361 -0.611 -5.382 1.00 0.00 C ATOM 874 O HIS A 59 -11.534 -0.981 -5.404 1.00 0.00 O ATOM 875 CB HIS A 59 -9.054 -1.356 -7.380 1.00 0.00 C ATOM 876 CG HIS A 59 -8.557 0.002 -7.789 1.00 0.00 C ATOM 877 ND1 HIS A 59 -9.314 1.096 -8.151 1.00 0.00 N ATOM 878 CD2 HIS A 59 -7.243 0.364 -7.839 1.00 0.00 C ATOM 879 CE1 HIS A 59 -8.463 2.106 -8.401 1.00 0.00 C ATOM 880 NE2 HIS A 59 -7.193 1.704 -8.232 1.00 0.00 N ATOM 0 H HIS A 59 -9.446 -3.472 -6.515 1.00 0.00 H new ATOM 0 HA HIS A 59 -8.356 -1.222 -5.276 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -8.359 -2.112 -7.746 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -10.012 -1.543 -7.866 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -6.397 -0.269 -7.616 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -8.759 3.102 -8.696 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -6.354 2.268 -8.365 1.00 0.00 H new ATOM 888 N HIS A 60 -10.005 0.635 -5.044 1.00 0.00 N ATOM 889 CA HIS A 60 -10.941 1.738 -4.800 1.00 0.00 C ATOM 890 C HIS A 60 -10.271 3.077 -5.156 1.00 0.00 C ATOM 891 O HIS A 60 -9.045 3.187 -5.192 1.00 0.00 O ATOM 892 CB HIS A 60 -11.533 1.695 -3.375 1.00 0.00 C ATOM 893 CG HIS A 60 -10.743 0.885 -2.378 1.00 0.00 C ATOM 894 ND1 HIS A 60 -11.076 -0.347 -1.865 1.00 0.00 N ATOM 895 CD2 HIS A 60 -9.499 1.191 -1.917 1.00 0.00 C ATOM 896 CE1 HIS A 60 -10.040 -0.750 -1.109 1.00 0.00 C ATOM 897 NE2 HIS A 60 -9.058 0.154 -1.111 1.00 0.00 N ATOM 0 H HIS A 60 -9.030 0.911 -4.930 1.00 0.00 H new ATOM 0 HA HIS A 60 -11.803 1.625 -5.457 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -11.619 2.716 -3.003 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -12.543 1.289 -3.430 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -11.944 -0.858 -2.027 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.948 2.092 -2.142 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.007 -1.685 -0.569 1.00 0.00 H new ATOM 905 N ASN A 61 -11.076 4.112 -5.416 1.00 0.00 N ATOM 906 CA ASN A 61 -10.645 5.376 -6.011 1.00 0.00 C ATOM 907 C ASN A 61 -10.124 6.374 -4.965 1.00 0.00 C ATOM 908 O ASN A 61 -10.659 7.473 -4.774 1.00 0.00 O ATOM 909 CB ASN A 61 -11.775 5.919 -6.904 1.00 0.00 C ATOM 910 CG ASN A 61 -12.068 5.033 -8.115 1.00 0.00 C ATOM 911 OD1 ASN A 61 -11.418 4.030 -8.382 1.00 0.00 O ATOM 912 ND2 ASN A 61 -13.070 5.385 -8.893 1.00 0.00 N ATOM 0 H ASN A 61 -12.075 4.090 -5.211 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.778 5.203 -6.649 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.682 6.020 -6.309 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.508 6.918 -7.249 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -13.301 4.823 -9.713 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.615 6.219 -8.676 1.00 0.00 H new ATOM 919 N CYS A 62 -9.057 5.958 -4.282 1.00 0.00 N ATOM 920 CA CYS A 62 -8.460 6.676 -3.169 1.00 0.00 C ATOM 921 C CYS A 62 -8.055 8.101 -3.545 1.00 0.00 C ATOM 922 O CYS A 62 -7.118 8.314 -4.309 1.00 0.00 O ATOM 923 CB CYS A 62 -7.252 5.912 -2.655 1.00 0.00 C ATOM 924 SG CYS A 62 -7.616 4.234 -2.138 1.00 0.00 S ATOM 0 H CYS A 62 -8.574 5.086 -4.499 1.00 0.00 H new ATOM 0 HA CYS A 62 -9.215 6.751 -2.386 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -6.493 5.884 -3.437 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -6.822 6.455 -1.813 1.00 0.00 H new