USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 459 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 59 HIS : no HE2:sc= -0.241 K(o=0.98,f=0.19) USER MOD Set 1.2: A 61 ASN : amide:sc= 1.22 K(o=0.98,f=-4.5!) USER MOD Set 2.1: A 47 ASN : amide:sc= 1.26 K(o=2.4,f=-7.6!) USER MOD Set 2.2: A 49 THR OG1 : rot 58:sc= 1.11 USER MOD Set 3.1: A 15 HIS : no HE2:sc= 0.804 K(o=2.1,f=-3.1!) USER MOD Set 3.2: A 37 SER OG : rot -162:sc= 1.31 USER MOD Set 4.1: A 3 LYS NZ :NH3+ -175:sc= 0.919 (180deg=0.526) USER MOD Set 4.2: A 29 TYR OH : rot 180:sc= 0.34 USER MOD Single : A 1 LEU N :NH3+ -121:sc= -0.0439 (180deg=-1.91!) USER MOD Single : A 2 THR OG1 : rot 163:sc= 1.44 USER MOD Single : A 5 GLN : amide:sc= -0.0713 K(o=-0.071,f=-1.8) USER MOD Single : A 9 SER OG : rot 55:sc= 1.18 USER MOD Single : A 10 HIS : no HD1:sc= -0.0143 X(o=-0.014,f=-0.082) USER MOD Single : A 18 SER OG : rot -75:sc= 1.11 USER MOD Single : A 22 LYS NZ :NH3+ 173:sc= 0.256 (180deg=0.248) USER MOD Single : A 26 ASN : amide:sc= 0.171 X(o=0.17,f=0) USER MOD Single : A 28 ASN : amide:sc= 0.911 K(o=0.91,f=0) USER MOD Single : A 33 GLN : amide:sc= 2.61 K(o=2.6,f=-6.9!) USER MOD Single : A 35 TYR OH : rot -3:sc= 1.22 USER MOD Single : A 40 TYR OH : rot 130:sc= -0.173 USER MOD Single : A 53 ASN : amide:sc= 0.0673 K(o=0.067,f=-1.1) USER MOD Single : A 54 THR OG1 : rot -70:sc= 2.29 USER MOD Single : A 56 SER OG : rot 180:sc= -0.0228 USER MOD Single : A 60 HIS : no HE2:sc= -1.79 K(o=-1.8,f=-3.3!) USER MOD Single : A 63 SER OG : rot -44:sc= 1.15 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 15.284 9.803 0.089 1.00 0.00 N ATOM 2 CA LEU A 1 14.234 8.827 0.350 1.00 0.00 C ATOM 3 C LEU A 1 13.251 9.359 1.412 1.00 0.00 C ATOM 4 O LEU A 1 13.420 10.450 1.956 1.00 0.00 O ATOM 5 CB LEU A 1 14.863 7.470 0.755 1.00 0.00 C ATOM 6 CG LEU A 1 15.327 6.598 -0.431 1.00 0.00 C ATOM 7 CD1 LEU A 1 16.640 7.074 -1.059 1.00 0.00 C ATOM 8 CD2 LEU A 1 15.516 5.151 0.037 1.00 0.00 C ATOM 0 H1 LEU A 1 15.272 10.065 -0.917 1.00 0.00 H new ATOM 0 H2 LEU A 1 15.122 10.650 0.670 1.00 0.00 H new ATOM 0 H3 LEU A 1 16.208 9.391 0.328 1.00 0.00 H new ATOM 0 HA LEU A 1 13.657 8.663 -0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 1 15.717 7.660 1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 1 14.136 6.907 1.340 1.00 0.00 H new ATOM 0 HG LEU A 1 14.549 6.676 -1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 1 16.907 6.416 -1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 1 16.518 8.092 -1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 1 17.431 7.053 -0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 1 15.844 4.537 -0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 1 16.268 5.119 0.826 1.00 0.00 H new ATOM 0 HD23 LEU A 1 14.571 4.766 0.421 1.00 0.00 H new ATOM 20 N THR A 2 12.216 8.569 1.697 1.00 0.00 N ATOM 21 CA THR A 2 11.209 8.740 2.743 1.00 0.00 C ATOM 22 C THR A 2 10.939 7.375 3.382 1.00 0.00 C ATOM 23 O THR A 2 11.357 6.353 2.833 1.00 0.00 O ATOM 24 CB THR A 2 9.885 9.284 2.173 1.00 0.00 C ATOM 25 OG1 THR A 2 9.255 8.272 1.411 1.00 0.00 O ATOM 26 CG2 THR A 2 10.049 10.542 1.317 1.00 0.00 C ATOM 0 H THR A 2 12.047 7.721 1.156 1.00 0.00 H new ATOM 0 HA THR A 2 11.588 9.456 3.473 1.00 0.00 H new ATOM 0 HB THR A 2 9.273 9.573 3.027 1.00 0.00 H new ATOM 0 HG1 THR A 2 8.311 8.501 1.281 1.00 0.00 H new ATOM 0 HG21 THR A 2 9.073 10.864 0.952 1.00 0.00 H new ATOM 0 HG22 THR A 2 10.492 11.336 1.918 1.00 0.00 H new ATOM 0 HG23 THR A 2 10.699 10.323 0.470 1.00 0.00 H new ATOM 34 N LYS A 3 10.155 7.327 4.467 1.00 0.00 N ATOM 35 CA LYS A 3 9.667 6.069 5.053 1.00 0.00 C ATOM 36 C LYS A 3 8.983 5.167 4.013 1.00 0.00 C ATOM 37 O LYS A 3 9.204 3.957 4.008 1.00 0.00 O ATOM 38 CB LYS A 3 8.745 6.406 6.235 1.00 0.00 C ATOM 39 CG LYS A 3 8.366 5.166 7.059 1.00 0.00 C ATOM 40 CD LYS A 3 7.572 5.524 8.328 1.00 0.00 C ATOM 41 CE LYS A 3 6.235 6.232 8.062 1.00 0.00 C ATOM 42 NZ LYS A 3 5.228 5.330 7.474 1.00 0.00 N ATOM 0 H LYS A 3 9.840 8.160 4.965 1.00 0.00 H new ATOM 0 HA LYS A 3 10.515 5.489 5.416 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.239 7.131 6.882 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.838 6.880 5.860 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.774 4.490 6.442 1.00 0.00 H new ATOM 0 HG3 LYS A 3 9.272 4.629 7.340 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.380 4.611 8.891 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.189 6.164 8.959 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.851 6.640 8.997 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.400 7.074 7.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.373 5.872 7.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.614 4.894 6.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.986 4.586 8.160 1.00 0.00 H new ATOM 56 N CYS A 4 8.230 5.765 3.082 1.00 0.00 N ATOM 57 CA CYS A 4 7.644 5.058 1.949 1.00 0.00 C ATOM 58 C CYS A 4 8.730 4.490 1.023 1.00 0.00 C ATOM 59 O CYS A 4 8.791 3.275 0.838 1.00 0.00 O ATOM 60 CB CYS A 4 6.659 5.972 1.210 1.00 0.00 C ATOM 61 SG CYS A 4 5.491 5.047 0.190 1.00 0.00 S ATOM 0 H CYS A 4 8.012 6.761 3.099 1.00 0.00 H new ATOM 0 HA CYS A 4 7.082 4.201 2.320 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.108 6.570 1.936 1.00 0.00 H new ATOM 0 HB3 CYS A 4 7.215 6.667 0.581 1.00 0.00 H new ATOM 66 N GLN A 5 9.616 5.341 0.482 1.00 0.00 N ATOM 67 CA GLN A 5 10.678 4.894 -0.432 1.00 0.00 C ATOM 68 C GLN A 5 11.610 3.852 0.209 1.00 0.00 C ATOM 69 O GLN A 5 12.057 2.933 -0.479 1.00 0.00 O ATOM 70 CB GLN A 5 11.522 6.075 -0.939 1.00 0.00 C ATOM 71 CG GLN A 5 10.748 7.184 -1.669 1.00 0.00 C ATOM 72 CD GLN A 5 9.937 6.689 -2.861 1.00 0.00 C ATOM 73 OE1 GLN A 5 8.751 6.945 -2.969 1.00 0.00 O ATOM 74 NE2 GLN A 5 10.534 5.984 -3.803 1.00 0.00 N ATOM 0 H GLN A 5 9.617 6.345 0.663 1.00 0.00 H new ATOM 0 HA GLN A 5 10.165 4.426 -1.272 1.00 0.00 H new ATOM 0 HB2 GLN A 5 12.040 6.519 -0.089 1.00 0.00 H new ATOM 0 HB3 GLN A 5 12.287 5.688 -1.612 1.00 0.00 H new ATOM 0 HG2 GLN A 5 10.076 7.671 -0.962 1.00 0.00 H new ATOM 0 HG3 GLN A 5 11.453 7.941 -2.011 1.00 0.00 H new ATOM 0 HE21 GLN A 5 11.527 5.764 -3.723 1.00 0.00 H new ATOM 0 HE22 GLN A 5 10.003 5.659 -4.611 1.00 0.00 H new ATOM 83 N GLU A 6 11.883 3.967 1.514 1.00 0.00 N ATOM 84 CA GLU A 6 12.605 2.979 2.312 1.00 0.00 C ATOM 85 C GLU A 6 11.865 1.646 2.304 1.00 0.00 C ATOM 86 O GLU A 6 12.407 0.659 1.825 1.00 0.00 O ATOM 87 CB GLU A 6 12.768 3.481 3.753 1.00 0.00 C ATOM 88 CG GLU A 6 13.849 4.561 3.880 1.00 0.00 C ATOM 89 CD GLU A 6 13.872 5.157 5.287 1.00 0.00 C ATOM 90 OE1 GLU A 6 13.096 6.112 5.519 1.00 0.00 O ATOM 91 OE2 GLU A 6 14.662 4.651 6.112 1.00 0.00 O ATOM 0 H GLU A 6 11.596 4.780 2.059 1.00 0.00 H new ATOM 0 HA GLU A 6 13.592 2.833 1.874 1.00 0.00 H new ATOM 0 HB2 GLU A 6 11.817 3.880 4.105 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.020 2.641 4.401 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.824 4.132 3.648 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.666 5.350 3.151 1.00 0.00 H new ATOM 98 N GLU A 7 10.622 1.606 2.794 1.00 0.00 N ATOM 99 CA GLU A 7 9.860 0.358 2.878 1.00 0.00 C ATOM 100 C GLU A 7 9.639 -0.296 1.506 1.00 0.00 C ATOM 101 O GLU A 7 9.729 -1.518 1.403 1.00 0.00 O ATOM 102 CB GLU A 7 8.525 0.599 3.596 1.00 0.00 C ATOM 103 CG GLU A 7 8.680 0.881 5.098 1.00 0.00 C ATOM 104 CD GLU A 7 9.133 -0.363 5.864 1.00 0.00 C ATOM 105 OE1 GLU A 7 8.239 -1.134 6.276 1.00 0.00 O ATOM 106 OE2 GLU A 7 10.365 -0.535 6.003 1.00 0.00 O ATOM 0 H GLU A 7 10.122 2.426 3.139 1.00 0.00 H new ATOM 0 HA GLU A 7 10.455 -0.345 3.460 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.016 1.441 3.127 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.887 -0.274 3.462 1.00 0.00 H new ATOM 0 HG2 GLU A 7 9.404 1.682 5.245 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.730 1.231 5.502 1.00 0.00 H new ATOM 113 N VAL A 8 9.414 0.495 0.450 1.00 0.00 N ATOM 114 CA VAL A 8 9.297 0.002 -0.931 1.00 0.00 C ATOM 115 C VAL A 8 10.632 -0.516 -1.484 1.00 0.00 C ATOM 116 O VAL A 8 10.646 -1.445 -2.292 1.00 0.00 O ATOM 117 CB VAL A 8 8.708 1.091 -1.847 1.00 0.00 C ATOM 118 CG1 VAL A 8 8.613 0.679 -3.323 1.00 0.00 C ATOM 119 CG2 VAL A 8 7.266 1.386 -1.418 1.00 0.00 C ATOM 0 H VAL A 8 9.307 1.506 0.529 1.00 0.00 H new ATOM 0 HA VAL A 8 8.614 -0.847 -0.911 1.00 0.00 H new ATOM 0 HB VAL A 8 9.382 1.942 -1.753 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.189 1.499 -3.903 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.608 0.445 -3.700 1.00 0.00 H new ATOM 0 HG13 VAL A 8 7.974 -0.199 -3.415 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.845 2.157 -2.064 1.00 0.00 H new ATOM 0 HG22 VAL A 8 6.669 0.478 -1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.258 1.734 -0.385 1.00 0.00 H new ATOM 129 N SER A 9 11.754 0.060 -1.044 1.00 0.00 N ATOM 130 CA SER A 9 13.099 -0.462 -1.326 1.00 0.00 C ATOM 131 C SER A 9 13.404 -1.747 -0.542 1.00 0.00 C ATOM 132 O SER A 9 14.012 -2.665 -1.086 1.00 0.00 O ATOM 133 CB SER A 9 14.180 0.581 -1.007 1.00 0.00 C ATOM 134 OG SER A 9 13.949 1.792 -1.698 1.00 0.00 O ATOM 0 H SER A 9 11.757 0.908 -0.478 1.00 0.00 H new ATOM 0 HA SER A 9 13.114 -0.693 -2.391 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.199 0.771 0.066 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.159 0.187 -1.278 1.00 0.00 H new ATOM 0 HG SER A 9 13.044 2.113 -1.502 1.00 0.00 H new ATOM 140 N HIS A 10 13.016 -1.811 0.739 1.00 0.00 N ATOM 141 CA HIS A 10 13.291 -2.927 1.646 1.00 0.00 C ATOM 142 C HIS A 10 12.420 -4.159 1.362 1.00 0.00 C ATOM 143 O HIS A 10 12.925 -5.278 1.412 1.00 0.00 O ATOM 144 CB HIS A 10 13.110 -2.471 3.101 1.00 0.00 C ATOM 145 CG HIS A 10 14.012 -1.331 3.520 1.00 0.00 C ATOM 146 ND1 HIS A 10 15.243 -1.013 2.987 1.00 0.00 N ATOM 147 CD2 HIS A 10 13.730 -0.404 4.486 1.00 0.00 C ATOM 148 CE1 HIS A 10 15.684 0.091 3.615 1.00 0.00 C ATOM 149 NE2 HIS A 10 14.798 0.497 4.536 1.00 0.00 N ATOM 0 H HIS A 10 12.485 -1.062 1.184 1.00 0.00 H new ATOM 0 HA HIS A 10 14.324 -3.231 1.477 1.00 0.00 H new ATOM 0 HB2 HIS A 10 12.073 -2.169 3.247 1.00 0.00 H new ATOM 0 HB3 HIS A 10 13.290 -3.321 3.759 1.00 0.00 H new ATOM 0 HD2 HIS A 10 12.842 -0.374 5.100 1.00 0.00 H new ATOM 0 HE1 HIS A 10 16.623 0.583 3.406 1.00 0.00 H new ATOM 0 HE2 HIS A 10 14.886 1.305 5.152 1.00 0.00 H new ATOM 157 N ILE A 11 11.130 -3.968 1.059 1.00 0.00 N ATOM 158 CA ILE A 11 10.235 -5.023 0.580 1.00 0.00 C ATOM 159 C ILE A 11 10.329 -5.074 -0.952 1.00 0.00 C ATOM 160 O ILE A 11 9.855 -4.139 -1.594 1.00 0.00 O ATOM 161 CB ILE A 11 8.775 -4.763 1.027 1.00 0.00 C ATOM 162 CG1 ILE A 11 8.613 -4.594 2.554 1.00 0.00 C ATOM 163 CG2 ILE A 11 7.859 -5.892 0.516 1.00 0.00 C ATOM 164 CD1 ILE A 11 9.081 -5.792 3.386 1.00 0.00 C ATOM 0 H ILE A 11 10.673 -3.060 1.142 1.00 0.00 H new ATOM 0 HA ILE A 11 10.537 -5.979 1.007 1.00 0.00 H new ATOM 0 HB ILE A 11 8.482 -3.811 0.584 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.170 -3.711 2.869 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.563 -4.404 2.775 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.834 -5.701 0.835 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.900 -5.929 -0.573 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.194 -6.845 0.924 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.929 -5.582 4.445 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.508 -6.676 3.105 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.140 -5.972 3.201 1.00 0.00 H new ATOM 176 N PRO A 12 10.912 -6.118 -1.572 1.00 0.00 N ATOM 177 CA PRO A 12 10.914 -6.258 -3.028 1.00 0.00 C ATOM 178 C PRO A 12 9.533 -6.686 -3.554 1.00 0.00 C ATOM 179 O PRO A 12 8.685 -7.168 -2.804 1.00 0.00 O ATOM 180 CB PRO A 12 11.976 -7.328 -3.305 1.00 0.00 C ATOM 181 CG PRO A 12 11.862 -8.243 -2.086 1.00 0.00 C ATOM 182 CD PRO A 12 11.557 -7.267 -0.951 1.00 0.00 C ATOM 0 HA PRO A 12 11.134 -5.317 -3.533 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.777 -7.864 -4.233 1.00 0.00 H new ATOM 0 HB3 PRO A 12 12.972 -6.895 -3.394 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.069 -8.981 -2.208 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.785 -8.794 -1.907 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.905 -7.725 -0.207 1.00 0.00 H new ATOM 0 HD3 PRO A 12 12.470 -6.970 -0.435 1.00 0.00 H new ATOM 190 N ALA A 13 9.340 -6.610 -4.878 1.00 0.00 N ATOM 191 CA ALA A 13 8.123 -7.069 -5.556 1.00 0.00 C ATOM 192 C ALA A 13 7.806 -8.565 -5.330 1.00 0.00 C ATOM 193 O ALA A 13 6.666 -8.993 -5.493 1.00 0.00 O ATOM 194 CB ALA A 13 8.253 -6.753 -7.051 1.00 0.00 C ATOM 0 H ALA A 13 10.035 -6.222 -5.516 1.00 0.00 H new ATOM 0 HA ALA A 13 7.279 -6.535 -5.120 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.356 -7.087 -7.573 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.372 -5.678 -7.187 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.123 -7.269 -7.458 1.00 0.00 H new ATOM 200 N VAL A 14 8.795 -9.358 -4.902 1.00 0.00 N ATOM 201 CA VAL A 14 8.630 -10.733 -4.430 1.00 0.00 C ATOM 202 C VAL A 14 8.250 -10.673 -2.945 1.00 0.00 C ATOM 203 O VAL A 14 9.082 -10.884 -2.065 1.00 0.00 O ATOM 204 CB VAL A 14 9.898 -11.577 -4.699 1.00 0.00 C ATOM 205 CG1 VAL A 14 9.685 -13.051 -4.316 1.00 0.00 C ATOM 206 CG2 VAL A 14 10.282 -11.547 -6.188 1.00 0.00 C ATOM 0 H VAL A 14 9.766 -9.047 -4.875 1.00 0.00 H new ATOM 0 HA VAL A 14 7.834 -11.237 -4.978 1.00 0.00 H new ATOM 0 HB VAL A 14 10.689 -11.138 -4.091 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.596 -13.615 -4.518 1.00 0.00 H new ATOM 0 HG12 VAL A 14 9.443 -13.120 -3.255 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.865 -13.464 -4.903 1.00 0.00 H new ATOM 0 HG21 VAL A 14 11.177 -12.149 -6.345 1.00 0.00 H new ATOM 0 HG22 VAL A 14 9.463 -11.951 -6.783 1.00 0.00 H new ATOM 0 HG23 VAL A 14 10.478 -10.519 -6.492 1.00 0.00 H new ATOM 216 N HIS A 15 6.971 -10.381 -2.679 1.00 0.00 N ATOM 217 CA HIS A 15 6.393 -10.296 -1.328 1.00 0.00 C ATOM 218 C HIS A 15 5.318 -11.380 -1.037 1.00 0.00 C ATOM 219 O HIS A 15 4.204 -11.059 -0.600 1.00 0.00 O ATOM 220 CB HIS A 15 5.944 -8.844 -1.061 1.00 0.00 C ATOM 221 CG HIS A 15 4.818 -8.322 -1.923 1.00 0.00 C ATOM 222 ND1 HIS A 15 3.488 -8.287 -1.578 1.00 0.00 N ATOM 223 CD2 HIS A 15 4.943 -7.688 -3.128 1.00 0.00 C ATOM 224 CE1 HIS A 15 2.822 -7.670 -2.567 1.00 0.00 C ATOM 225 NE2 HIS A 15 3.667 -7.282 -3.533 1.00 0.00 N ATOM 0 H HIS A 15 6.290 -10.192 -3.415 1.00 0.00 H new ATOM 0 HA HIS A 15 7.165 -10.539 -0.598 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.640 -8.766 -0.017 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.806 -8.190 -1.191 1.00 0.00 H new ATOM 0 HD1 HIS A 15 3.079 -8.663 -0.722 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.863 -7.529 -3.671 1.00 0.00 H new ATOM 0 HE1 HIS A 15 1.754 -7.509 -2.582 1.00 0.00 H new ATOM 233 N PRO A 16 5.612 -12.687 -1.228 1.00 0.00 N ATOM 234 CA PRO A 16 4.650 -13.764 -0.990 1.00 0.00 C ATOM 235 C PRO A 16 4.231 -13.802 0.486 1.00 0.00 C ATOM 236 O PRO A 16 5.062 -13.708 1.386 1.00 0.00 O ATOM 237 CB PRO A 16 5.347 -15.055 -1.432 1.00 0.00 C ATOM 238 CG PRO A 16 6.826 -14.745 -1.219 1.00 0.00 C ATOM 239 CD PRO A 16 6.911 -13.259 -1.559 1.00 0.00 C ATOM 0 HA PRO A 16 3.727 -13.619 -1.552 1.00 0.00 H new ATOM 0 HB2 PRO A 16 5.025 -15.910 -0.837 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.132 -15.292 -2.474 1.00 0.00 H new ATOM 0 HG2 PRO A 16 7.138 -14.944 -0.194 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.463 -15.346 -1.868 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.705 -12.775 -0.990 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.142 -13.115 -2.614 1.00 0.00 H new ATOM 247 N GLY A 17 2.919 -13.870 0.730 1.00 0.00 N ATOM 248 CA GLY A 17 2.316 -13.778 2.063 1.00 0.00 C ATOM 249 C GLY A 17 2.420 -12.405 2.748 1.00 0.00 C ATOM 250 O GLY A 17 1.807 -12.223 3.799 1.00 0.00 O ATOM 0 H GLY A 17 2.230 -13.994 -0.012 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.262 -14.045 1.984 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.786 -14.521 2.707 1.00 0.00 H new ATOM 254 N SER A 18 3.128 -11.425 2.169 1.00 0.00 N ATOM 255 CA SER A 18 3.413 -10.119 2.779 1.00 0.00 C ATOM 256 C SER A 18 2.741 -8.959 2.047 1.00 0.00 C ATOM 257 O SER A 18 2.434 -9.027 0.855 1.00 0.00 O ATOM 258 CB SER A 18 4.934 -9.887 2.782 1.00 0.00 C ATOM 259 OG SER A 18 5.293 -8.612 3.302 1.00 0.00 O ATOM 0 H SER A 18 3.530 -11.522 1.236 1.00 0.00 H new ATOM 0 HA SER A 18 3.011 -10.143 3.792 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.415 -10.665 3.374 1.00 0.00 H new ATOM 0 HB3 SER A 18 5.314 -9.980 1.765 1.00 0.00 H new ATOM 0 HG SER A 18 5.098 -7.920 2.636 1.00 0.00 H new ATOM 265 N PHE A 19 2.543 -7.866 2.782 1.00 0.00 N ATOM 266 CA PHE A 19 2.186 -6.568 2.228 1.00 0.00 C ATOM 267 C PHE A 19 3.432 -5.979 1.536 1.00 0.00 C ATOM 268 O PHE A 19 4.559 -6.405 1.821 1.00 0.00 O ATOM 269 CB PHE A 19 1.707 -5.675 3.388 1.00 0.00 C ATOM 270 CG PHE A 19 1.523 -4.202 3.063 1.00 0.00 C ATOM 271 CD1 PHE A 19 0.645 -3.805 2.038 1.00 0.00 C ATOM 272 CD2 PHE A 19 2.258 -3.224 3.762 1.00 0.00 C ATOM 273 CE1 PHE A 19 0.504 -2.448 1.712 1.00 0.00 C ATOM 274 CE2 PHE A 19 2.106 -1.862 3.445 1.00 0.00 C ATOM 275 CZ PHE A 19 1.228 -1.473 2.420 1.00 0.00 C ATOM 0 H PHE A 19 2.629 -7.861 3.798 1.00 0.00 H new ATOM 0 HA PHE A 19 1.387 -6.643 1.491 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.758 -6.067 3.754 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.423 -5.760 4.205 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.077 -4.549 1.499 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.941 -3.521 4.544 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.162 -2.152 0.915 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.664 -1.115 3.990 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.109 -0.428 2.176 1.00 0.00 H new ATOM 285 N ARG A 20 3.213 -4.993 0.656 1.00 0.00 N ATOM 286 CA ARG A 20 4.220 -4.124 0.050 1.00 0.00 C ATOM 287 C ARG A 20 3.588 -2.742 -0.190 1.00 0.00 C ATOM 288 O ARG A 20 2.534 -2.681 -0.829 1.00 0.00 O ATOM 289 CB ARG A 20 4.741 -4.724 -1.263 1.00 0.00 C ATOM 290 CG ARG A 20 5.865 -3.850 -1.836 1.00 0.00 C ATOM 291 CD ARG A 20 6.515 -4.480 -3.065 1.00 0.00 C ATOM 292 NE ARG A 20 7.794 -3.814 -3.339 1.00 0.00 N ATOM 293 CZ ARG A 20 8.223 -3.245 -4.452 1.00 0.00 C ATOM 294 NH1 ARG A 20 7.517 -3.266 -5.558 1.00 0.00 N ATOM 295 NH2 ARG A 20 9.386 -2.634 -4.452 1.00 0.00 N ATOM 0 H ARG A 20 2.272 -4.771 0.332 1.00 0.00 H new ATOM 0 HA ARG A 20 5.074 -4.026 0.720 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.110 -5.735 -1.088 1.00 0.00 H new ATOM 0 HB3 ARG A 20 3.927 -4.802 -1.984 1.00 0.00 H new ATOM 0 HG2 ARG A 20 5.463 -2.872 -2.101 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.623 -3.687 -1.070 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.676 -5.545 -2.898 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.853 -4.388 -3.926 1.00 0.00 H new ATOM 0 HE ARG A 20 8.447 -3.786 -2.556 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.609 -3.731 -5.575 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.876 -2.817 -6.401 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.946 -2.603 -3.600 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.729 -2.191 -5.304 1.00 0.00 H new ATOM 309 N PRO A 21 4.171 -1.644 0.326 1.00 0.00 N ATOM 310 CA PRO A 21 3.627 -0.310 0.103 1.00 0.00 C ATOM 311 C PRO A 21 3.854 0.230 -1.320 1.00 0.00 C ATOM 312 O PRO A 21 4.567 -0.362 -2.130 1.00 0.00 O ATOM 313 CB PRO A 21 4.255 0.572 1.188 1.00 0.00 C ATOM 314 CG PRO A 21 5.553 -0.137 1.566 1.00 0.00 C ATOM 315 CD PRO A 21 5.296 -1.608 1.250 1.00 0.00 C ATOM 0 HA PRO A 21 2.540 -0.323 0.178 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.448 1.578 0.817 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.594 0.671 2.049 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.397 0.250 0.994 1.00 0.00 H new ATOM 0 HG3 PRO A 21 5.790 0.006 2.620 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.178 -2.069 0.805 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.069 -2.166 2.159 1.00 0.00 H new ATOM 323 N LYS A 22 3.224 1.376 -1.603 1.00 0.00 N ATOM 324 CA LYS A 22 3.197 2.149 -2.852 1.00 0.00 C ATOM 325 C LYS A 22 3.374 3.645 -2.551 1.00 0.00 C ATOM 326 O LYS A 22 2.823 4.131 -1.561 1.00 0.00 O ATOM 327 CB LYS A 22 1.837 1.916 -3.550 1.00 0.00 C ATOM 328 CG LYS A 22 1.455 0.444 -3.787 1.00 0.00 C ATOM 329 CD LYS A 22 2.455 -0.237 -4.724 1.00 0.00 C ATOM 330 CE LYS A 22 2.175 -1.730 -4.894 1.00 0.00 C ATOM 331 NZ LYS A 22 2.678 -2.511 -3.746 1.00 0.00 N ATOM 0 H LYS A 22 2.660 1.834 -0.887 1.00 0.00 H new ATOM 0 HA LYS A 22 4.011 1.825 -3.501 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.056 2.383 -2.950 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.850 2.429 -4.512 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.424 -0.086 -2.835 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.454 0.388 -4.215 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.423 0.249 -5.699 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.464 -0.102 -4.334 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.102 -1.890 -5.002 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.644 -2.087 -5.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.368 -3.500 -3.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.717 -2.474 -3.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.303 -2.110 -2.863 1.00 0.00 H new ATOM 345 N CYS A 23 4.069 4.395 -3.416 1.00 0.00 N ATOM 346 CA CYS A 23 4.398 5.810 -3.185 1.00 0.00 C ATOM 347 C CYS A 23 4.222 6.677 -4.432 1.00 0.00 C ATOM 348 O CYS A 23 4.193 6.185 -5.559 1.00 0.00 O ATOM 349 CB CYS A 23 5.857 5.939 -2.704 1.00 0.00 C ATOM 350 SG CYS A 23 6.483 4.703 -1.540 1.00 0.00 S ATOM 0 H CYS A 23 4.422 4.035 -4.303 1.00 0.00 H new ATOM 0 HA CYS A 23 3.701 6.167 -2.427 1.00 0.00 H new ATOM 0 HB2 CYS A 23 6.501 5.925 -3.584 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.970 6.920 -2.242 1.00 0.00 H new ATOM 355 N ASP A 24 4.102 7.988 -4.206 1.00 0.00 N ATOM 356 CA ASP A 24 3.769 8.999 -5.200 1.00 0.00 C ATOM 357 C ASP A 24 4.972 9.844 -5.672 1.00 0.00 C ATOM 358 O ASP A 24 6.091 9.718 -5.177 1.00 0.00 O ATOM 359 CB ASP A 24 2.598 9.851 -4.667 1.00 0.00 C ATOM 360 CG ASP A 24 2.897 10.618 -3.375 1.00 0.00 C ATOM 361 OD1 ASP A 24 4.022 11.154 -3.254 1.00 0.00 O ATOM 362 OD2 ASP A 24 1.977 10.681 -2.534 1.00 0.00 O ATOM 0 H ASP A 24 4.242 8.387 -3.278 1.00 0.00 H new ATOM 0 HA ASP A 24 3.455 8.488 -6.110 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.306 10.565 -5.437 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.741 9.199 -4.496 1.00 0.00 H new ATOM 367 N GLU A 25 4.723 10.771 -6.607 1.00 0.00 N ATOM 368 CA GLU A 25 5.697 11.703 -7.198 1.00 0.00 C ATOM 369 C GLU A 25 6.297 12.720 -6.207 1.00 0.00 C ATOM 370 O GLU A 25 7.104 13.568 -6.586 1.00 0.00 O ATOM 371 CB GLU A 25 5.051 12.422 -8.398 1.00 0.00 C ATOM 372 CG GLU A 25 3.862 13.318 -8.015 1.00 0.00 C ATOM 373 CD GLU A 25 3.301 14.038 -9.242 1.00 0.00 C ATOM 374 OE1 GLU A 25 2.471 13.413 -9.936 1.00 0.00 O ATOM 375 OE2 GLU A 25 3.720 15.195 -9.468 1.00 0.00 O ATOM 0 H GLU A 25 3.787 10.899 -6.993 1.00 0.00 H new ATOM 0 HA GLU A 25 6.544 11.099 -7.523 1.00 0.00 H new ATOM 0 HB2 GLU A 25 5.807 13.030 -8.896 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.715 11.677 -9.119 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.080 12.714 -7.554 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.178 14.050 -7.272 1.00 0.00 H new ATOM 382 N ASN A 26 5.896 12.667 -4.937 1.00 0.00 N ATOM 383 CA ASN A 26 6.452 13.439 -3.824 1.00 0.00 C ATOM 384 C ASN A 26 6.975 12.508 -2.707 1.00 0.00 C ATOM 385 O ASN A 26 7.115 12.931 -1.560 1.00 0.00 O ATOM 386 CB ASN A 26 5.399 14.456 -3.337 1.00 0.00 C ATOM 387 CG ASN A 26 5.036 15.579 -4.311 1.00 0.00 C ATOM 388 OD1 ASN A 26 4.156 16.375 -4.032 1.00 0.00 O ATOM 389 ND2 ASN A 26 5.677 15.719 -5.457 1.00 0.00 N ATOM 0 H ASN A 26 5.136 12.054 -4.641 1.00 0.00 H new ATOM 0 HA ASN A 26 7.322 14.004 -4.158 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.488 13.912 -3.088 1.00 0.00 H new ATOM 0 HB3 ASN A 26 5.762 14.908 -2.414 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.432 16.482 -6.088 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.417 15.064 -5.711 1.00 0.00 H new ATOM 396 N GLY A 27 7.232 11.227 -3.019 1.00 0.00 N ATOM 397 CA GLY A 27 7.821 10.241 -2.108 1.00 0.00 C ATOM 398 C GLY A 27 6.944 9.883 -0.904 1.00 0.00 C ATOM 399 O GLY A 27 7.413 9.213 0.015 1.00 0.00 O ATOM 0 H GLY A 27 7.028 10.841 -3.941 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.036 9.331 -2.668 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.775 10.625 -1.745 1.00 0.00 H new ATOM 403 N ASN A 28 5.692 10.341 -0.880 1.00 0.00 N ATOM 404 CA ASN A 28 4.716 10.040 0.157 1.00 0.00 C ATOM 405 C ASN A 28 3.944 8.775 -0.246 1.00 0.00 C ATOM 406 O ASN A 28 3.987 8.363 -1.408 1.00 0.00 O ATOM 407 CB ASN A 28 3.803 11.265 0.334 1.00 0.00 C ATOM 408 CG ASN A 28 4.428 12.360 1.191 1.00 0.00 C ATOM 409 OD1 ASN A 28 3.958 12.651 2.278 1.00 0.00 O ATOM 410 ND2 ASN A 28 5.491 13.007 0.754 1.00 0.00 N ATOM 0 H ASN A 28 5.321 10.952 -1.608 1.00 0.00 H new ATOM 0 HA ASN A 28 5.191 9.839 1.117 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.560 11.674 -0.647 1.00 0.00 H new ATOM 0 HB3 ASN A 28 2.864 10.948 0.788 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.911 13.742 1.324 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.893 12.773 -0.154 1.00 0.00 H new ATOM 417 N TYR A 29 3.239 8.156 0.705 1.00 0.00 N ATOM 418 CA TYR A 29 2.441 6.961 0.438 1.00 0.00 C ATOM 419 C TYR A 29 1.329 7.291 -0.554 1.00 0.00 C ATOM 420 O TYR A 29 0.568 8.237 -0.344 1.00 0.00 O ATOM 421 CB TYR A 29 1.877 6.373 1.735 1.00 0.00 C ATOM 422 CG TYR A 29 2.912 5.670 2.594 1.00 0.00 C ATOM 423 CD1 TYR A 29 3.785 6.417 3.411 1.00 0.00 C ATOM 424 CD2 TYR A 29 3.010 4.264 2.567 1.00 0.00 C ATOM 425 CE1 TYR A 29 4.753 5.766 4.193 1.00 0.00 C ATOM 426 CE2 TYR A 29 3.977 3.607 3.352 1.00 0.00 C ATOM 427 CZ TYR A 29 4.852 4.360 4.165 1.00 0.00 C ATOM 428 OH TYR A 29 5.800 3.736 4.913 1.00 0.00 O ATOM 0 H TYR A 29 3.207 8.468 1.675 1.00 0.00 H new ATOM 0 HA TYR A 29 3.085 6.201 -0.006 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.420 7.174 2.317 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.085 5.667 1.487 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.709 7.494 3.436 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.342 3.689 1.943 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.421 6.342 4.816 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.049 2.530 3.332 1.00 0.00 H new ATOM 0 HH TYR A 29 5.734 2.767 4.782 1.00 0.00 H new ATOM 438 N LEU A 30 1.240 6.505 -1.636 1.00 0.00 N ATOM 439 CA LEU A 30 0.158 6.648 -2.603 1.00 0.00 C ATOM 440 C LEU A 30 -1.184 6.467 -1.865 1.00 0.00 C ATOM 441 O LEU A 30 -1.285 5.518 -1.085 1.00 0.00 O ATOM 442 CB LEU A 30 0.272 5.623 -3.752 1.00 0.00 C ATOM 443 CG LEU A 30 0.756 6.221 -5.085 1.00 0.00 C ATOM 444 CD1 LEU A 30 1.011 5.097 -6.091 1.00 0.00 C ATOM 445 CD2 LEU A 30 -0.235 7.214 -5.702 1.00 0.00 C ATOM 0 H LEU A 30 1.907 5.766 -1.858 1.00 0.00 H new ATOM 0 HA LEU A 30 0.219 7.640 -3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.959 4.832 -3.451 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.702 5.158 -3.907 1.00 0.00 H new ATOM 0 HG LEU A 30 1.671 6.769 -4.861 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.354 5.523 -7.034 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.773 4.424 -5.699 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.088 4.542 -6.258 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.169 7.597 -6.639 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.182 6.711 -5.894 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.398 8.042 -5.012 1.00 0.00 H new ATOM 457 N PRO A 31 -2.218 7.300 -2.094 1.00 0.00 N ATOM 458 CA PRO A 31 -3.521 7.172 -1.435 1.00 0.00 C ATOM 459 C PRO A 31 -4.220 5.804 -1.508 1.00 0.00 C ATOM 460 O PRO A 31 -5.177 5.616 -0.765 1.00 0.00 O ATOM 461 CB PRO A 31 -4.378 8.318 -1.971 1.00 0.00 C ATOM 462 CG PRO A 31 -3.327 9.389 -2.253 1.00 0.00 C ATOM 463 CD PRO A 31 -2.153 8.574 -2.793 1.00 0.00 C ATOM 0 HA PRO A 31 -3.361 7.238 -0.359 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.924 8.034 -2.871 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.116 8.652 -1.242 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.680 10.121 -2.979 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.057 9.939 -1.351 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.233 8.436 -3.871 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.205 9.078 -2.605 1.00 0.00 H new ATOM 471 N LEU A 32 -3.742 4.850 -2.322 1.00 0.00 N ATOM 472 CA LEU A 32 -4.127 3.437 -2.321 1.00 0.00 C ATOM 473 C LEU A 32 -2.908 2.580 -1.938 1.00 0.00 C ATOM 474 O LEU A 32 -1.813 2.787 -2.458 1.00 0.00 O ATOM 475 CB LEU A 32 -4.627 3.020 -3.714 1.00 0.00 C ATOM 476 CG LEU A 32 -5.177 1.576 -3.753 1.00 0.00 C ATOM 477 CD1 LEU A 32 -6.566 1.513 -3.130 1.00 0.00 C ATOM 478 CD2 LEU A 32 -5.245 1.055 -5.180 1.00 0.00 C ATOM 0 H LEU A 32 -3.041 5.058 -3.033 1.00 0.00 H new ATOM 0 HA LEU A 32 -4.929 3.287 -1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.409 3.709 -4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.809 3.111 -4.429 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.494 0.950 -3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.935 0.488 -3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.515 1.843 -2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.243 2.163 -3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.635 0.037 -5.178 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.902 1.694 -5.770 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.246 1.059 -5.617 1.00 0.00 H new ATOM 490 N GLN A 33 -3.119 1.569 -1.092 1.00 0.00 N ATOM 491 CA GLN A 33 -2.149 0.521 -0.772 1.00 0.00 C ATOM 492 C GLN A 33 -2.825 -0.853 -0.925 1.00 0.00 C ATOM 493 O GLN A 33 -4.012 -0.997 -0.622 1.00 0.00 O ATOM 494 CB GLN A 33 -1.646 0.703 0.667 1.00 0.00 C ATOM 495 CG GLN A 33 -1.029 2.071 0.990 1.00 0.00 C ATOM 496 CD GLN A 33 0.289 2.375 0.289 1.00 0.00 C ATOM 497 OE1 GLN A 33 1.263 1.652 0.415 1.00 0.00 O ATOM 498 NE2 GLN A 33 0.411 3.485 -0.403 1.00 0.00 N ATOM 0 H GLN A 33 -4.002 1.454 -0.594 1.00 0.00 H new ATOM 0 HA GLN A 33 -1.299 0.585 -1.452 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.480 0.531 1.348 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.903 -0.068 0.872 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.748 2.846 0.727 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.872 2.135 2.067 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.391 4.104 -0.520 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.308 3.728 -0.823 1.00 0.00 H new ATOM 507 N CYS A 34 -2.074 -1.869 -1.370 1.00 0.00 N ATOM 508 CA CYS A 34 -2.612 -3.203 -1.644 1.00 0.00 C ATOM 509 C CYS A 34 -1.697 -4.322 -1.130 1.00 0.00 C ATOM 510 O CYS A 34 -0.568 -4.494 -1.588 1.00 0.00 O ATOM 511 CB CYS A 34 -2.887 -3.367 -3.145 1.00 0.00 C ATOM 512 SG CYS A 34 -4.256 -2.390 -3.832 1.00 0.00 S ATOM 0 H CYS A 34 -1.073 -1.786 -1.550 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.551 -3.293 -1.098 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.978 -3.109 -3.688 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -3.088 -4.420 -3.342 1.00 0.00 H new ATOM 517 N TYR A 35 -2.221 -5.135 -0.212 1.00 0.00 N ATOM 518 CA TYR A 35 -1.625 -6.388 0.251 1.00 0.00 C ATOM 519 C TYR A 35 -2.037 -7.486 -0.743 1.00 0.00 C ATOM 520 O TYR A 35 -2.778 -8.421 -0.427 1.00 0.00 O ATOM 521 CB TYR A 35 -2.060 -6.606 1.710 1.00 0.00 C ATOM 522 CG TYR A 35 -1.417 -7.706 2.544 1.00 0.00 C ATOM 523 CD1 TYR A 35 -0.668 -8.761 1.982 1.00 0.00 C ATOM 524 CD2 TYR A 35 -1.623 -7.675 3.939 1.00 0.00 C ATOM 525 CE1 TYR A 35 -0.178 -9.794 2.802 1.00 0.00 C ATOM 526 CE2 TYR A 35 -1.099 -8.684 4.766 1.00 0.00 C ATOM 527 CZ TYR A 35 -0.375 -9.753 4.199 1.00 0.00 C ATOM 528 OH TYR A 35 0.136 -10.721 5.005 1.00 0.00 O ATOM 0 H TYR A 35 -3.108 -4.930 0.248 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.535 -6.389 0.267 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.902 -5.666 2.238 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.134 -6.792 1.703 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.470 -8.776 0.920 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -2.190 -6.867 4.377 1.00 0.00 H new ATOM 0 HE1 TYR A 35 0.353 -10.624 2.359 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.251 -8.640 5.834 1.00 0.00 H new ATOM 0 HH TYR A 35 0.574 -11.405 4.457 1.00 0.00 H new ATOM 538 N GLY A 36 -1.530 -7.346 -1.976 1.00 0.00 N ATOM 539 CA GLY A 36 -1.874 -8.180 -3.130 1.00 0.00 C ATOM 540 C GLY A 36 -1.707 -9.680 -2.879 1.00 0.00 C ATOM 541 O GLY A 36 -2.508 -10.466 -3.375 1.00 0.00 O ATOM 0 H GLY A 36 -0.846 -6.624 -2.202 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.907 -7.982 -3.415 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.249 -7.891 -3.975 1.00 0.00 H new ATOM 545 N SER A 37 -0.738 -10.071 -2.043 1.00 0.00 N ATOM 546 CA SER A 37 -0.487 -11.454 -1.623 1.00 0.00 C ATOM 547 C SER A 37 -1.657 -12.130 -0.883 1.00 0.00 C ATOM 548 O SER A 37 -1.633 -13.350 -0.736 1.00 0.00 O ATOM 549 CB SER A 37 0.805 -11.508 -0.802 1.00 0.00 C ATOM 550 OG SER A 37 1.857 -10.990 -1.596 1.00 0.00 O ATOM 0 H SER A 37 -0.084 -9.409 -1.626 1.00 0.00 H new ATOM 0 HA SER A 37 -0.378 -12.040 -2.536 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.698 -10.926 0.113 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.023 -12.534 -0.504 1.00 0.00 H new ATOM 0 HG SER A 37 2.718 -11.266 -1.218 1.00 0.00 H new ATOM 556 N ILE A 38 -2.683 -11.379 -0.452 1.00 0.00 N ATOM 557 CA ILE A 38 -3.972 -11.873 0.045 1.00 0.00 C ATOM 558 C ILE A 38 -5.160 -11.226 -0.705 1.00 0.00 C ATOM 559 O ILE A 38 -6.309 -11.392 -0.303 1.00 0.00 O ATOM 560 CB ILE A 38 -4.087 -11.677 1.571 1.00 0.00 C ATOM 561 CG1 ILE A 38 -3.973 -10.203 1.994 1.00 0.00 C ATOM 562 CG2 ILE A 38 -3.084 -12.562 2.327 1.00 0.00 C ATOM 563 CD1 ILE A 38 -4.365 -9.932 3.452 1.00 0.00 C ATOM 0 H ILE A 38 -2.631 -10.360 -0.441 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.016 -12.943 -0.156 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.091 -11.997 1.849 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.947 -9.871 1.838 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.605 -9.600 1.342 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.192 -12.399 3.399 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.278 -13.610 2.098 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.070 -12.305 2.021 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.256 -8.869 3.667 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.401 -10.230 3.611 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.717 -10.505 4.115 1.00 0.00 H new ATOM 575 N GLY A 39 -4.894 -10.458 -1.770 1.00 0.00 N ATOM 576 CA GLY A 39 -5.880 -9.768 -2.608 1.00 0.00 C ATOM 577 C GLY A 39 -6.409 -8.443 -2.046 1.00 0.00 C ATOM 578 O GLY A 39 -7.183 -7.773 -2.721 1.00 0.00 O ATOM 0 H GLY A 39 -3.938 -10.294 -2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.432 -9.576 -3.583 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.725 -10.437 -2.771 1.00 0.00 H new ATOM 582 N TYR A 40 -6.001 -8.039 -0.839 1.00 0.00 N ATOM 583 CA TYR A 40 -6.611 -6.910 -0.129 1.00 0.00 C ATOM 584 C TYR A 40 -6.058 -5.550 -0.565 1.00 0.00 C ATOM 585 O TYR A 40 -4.878 -5.426 -0.891 1.00 0.00 O ATOM 586 CB TYR A 40 -6.347 -7.044 1.380 1.00 0.00 C ATOM 587 CG TYR A 40 -7.438 -7.735 2.167 1.00 0.00 C ATOM 588 CD1 TYR A 40 -7.555 -9.139 2.165 1.00 0.00 C ATOM 589 CD2 TYR A 40 -8.325 -6.957 2.933 1.00 0.00 C ATOM 590 CE1 TYR A 40 -8.532 -9.765 2.961 1.00 0.00 C ATOM 591 CE2 TYR A 40 -9.304 -7.576 3.728 1.00 0.00 C ATOM 592 CZ TYR A 40 -9.402 -8.983 3.749 1.00 0.00 C ATOM 593 OH TYR A 40 -10.374 -9.583 4.487 1.00 0.00 O ATOM 0 H TYR A 40 -5.240 -8.485 -0.327 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.674 -6.945 -0.367 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.416 -7.593 1.522 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.197 -6.048 1.796 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -6.895 -9.735 1.552 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -8.253 -5.880 2.910 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -8.616 -10.842 2.969 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.979 -6.977 4.321 1.00 0.00 H new ATOM 0 HH TYR A 40 -10.338 -9.250 5.408 1.00 0.00 H new ATOM 603 N CYS A 41 -6.891 -4.509 -0.448 1.00 0.00 N ATOM 604 CA CYS A 41 -6.477 -3.112 -0.568 1.00 0.00 C ATOM 605 C CYS A 41 -7.185 -2.237 0.471 1.00 0.00 C ATOM 606 O CYS A 41 -8.230 -2.595 1.020 1.00 0.00 O ATOM 607 CB CYS A 41 -6.717 -2.546 -1.980 1.00 0.00 C ATOM 608 SG CYS A 41 -5.964 -3.425 -3.379 1.00 0.00 S ATOM 0 H CYS A 41 -7.888 -4.619 -0.264 1.00 0.00 H new ATOM 0 HA CYS A 41 -5.403 -3.092 -0.382 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.793 -2.508 -2.148 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.355 -1.518 -1.996 1.00 0.00 H new ATOM 613 N TRP A 42 -6.599 -1.067 0.711 1.00 0.00 N ATOM 614 CA TRP A 42 -7.176 0.028 1.478 1.00 0.00 C ATOM 615 C TRP A 42 -6.590 1.346 0.973 1.00 0.00 C ATOM 616 O TRP A 42 -5.548 1.381 0.315 1.00 0.00 O ATOM 617 CB TRP A 42 -6.892 -0.149 2.975 1.00 0.00 C ATOM 618 CG TRP A 42 -5.442 -0.224 3.344 1.00 0.00 C ATOM 619 CD1 TRP A 42 -4.646 0.816 3.688 1.00 0.00 C ATOM 620 CD2 TRP A 42 -4.593 -1.408 3.361 1.00 0.00 C ATOM 621 NE1 TRP A 42 -3.372 0.346 3.954 1.00 0.00 N ATOM 622 CE2 TRP A 42 -3.282 -1.013 3.750 1.00 0.00 C ATOM 623 CE3 TRP A 42 -4.798 -2.776 3.082 1.00 0.00 C ATOM 624 CZ2 TRP A 42 -2.223 -1.924 3.858 1.00 0.00 C ATOM 625 CZ3 TRP A 42 -3.746 -3.704 3.192 1.00 0.00 C ATOM 626 CH2 TRP A 42 -2.462 -3.282 3.581 1.00 0.00 C ATOM 0 H TRP A 42 -5.667 -0.849 0.359 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.258 0.034 1.345 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.346 0.682 3.515 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.385 -1.059 3.317 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -4.956 1.849 3.746 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.597 0.933 4.263 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -5.777 -3.116 2.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.239 -1.589 4.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -3.926 -4.747 2.976 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -1.660 -4.000 3.667 1.00 0.00 H new ATOM 637 N CYS A 43 -7.232 2.447 1.340 1.00 0.00 N ATOM 638 CA CYS A 43 -6.709 3.785 1.119 1.00 0.00 C ATOM 639 C CYS A 43 -5.936 4.268 2.344 1.00 0.00 C ATOM 640 O CYS A 43 -6.204 3.835 3.467 1.00 0.00 O ATOM 641 CB CYS A 43 -7.838 4.746 0.741 1.00 0.00 C ATOM 642 SG CYS A 43 -8.759 4.187 -0.709 1.00 0.00 S ATOM 0 H CYS A 43 -8.140 2.434 1.804 1.00 0.00 H new ATOM 0 HA CYS A 43 -6.010 3.757 0.283 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.521 4.850 1.584 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.421 5.734 0.545 1.00 0.00 H new ATOM 647 N VAL A 44 -4.992 5.187 2.136 1.00 0.00 N ATOM 648 CA VAL A 44 -4.159 5.758 3.203 1.00 0.00 C ATOM 649 C VAL A 44 -4.035 7.274 3.072 1.00 0.00 C ATOM 650 O VAL A 44 -4.178 7.840 1.989 1.00 0.00 O ATOM 651 CB VAL A 44 -2.729 5.174 3.226 1.00 0.00 C ATOM 652 CG1 VAL A 44 -2.699 3.678 3.542 1.00 0.00 C ATOM 653 CG2 VAL A 44 -1.959 5.419 1.926 1.00 0.00 C ATOM 0 H VAL A 44 -4.779 5.562 1.212 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.670 5.495 4.129 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.234 5.714 4.033 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.667 3.327 3.544 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.143 3.504 4.522 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.266 3.135 2.786 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.962 4.985 2.006 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.491 4.956 1.095 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.874 6.491 1.750 1.00 0.00 H new ATOM 663 N PHE A 45 -3.711 7.922 4.189 1.00 0.00 N ATOM 664 CA PHE A 45 -3.264 9.309 4.218 1.00 0.00 C ATOM 665 C PHE A 45 -1.760 9.329 3.826 1.00 0.00 C ATOM 666 O PHE A 45 -1.097 8.294 3.946 1.00 0.00 O ATOM 667 CB PHE A 45 -3.534 9.874 5.621 1.00 0.00 C ATOM 668 CG PHE A 45 -5.010 9.893 6.005 1.00 0.00 C ATOM 669 CD1 PHE A 45 -5.877 10.821 5.394 1.00 0.00 C ATOM 670 CD2 PHE A 45 -5.521 9.001 6.968 1.00 0.00 C ATOM 671 CE1 PHE A 45 -7.239 10.856 5.744 1.00 0.00 C ATOM 672 CE2 PHE A 45 -6.881 9.037 7.320 1.00 0.00 C ATOM 673 CZ PHE A 45 -7.741 9.966 6.710 1.00 0.00 C ATOM 0 H PHE A 45 -3.753 7.490 5.112 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.800 9.940 3.509 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.986 9.281 6.353 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.141 10.889 5.675 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.494 11.508 4.654 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.864 8.285 7.439 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.900 11.567 5.270 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.265 8.350 8.060 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.786 9.996 6.983 1.00 0.00 H new ATOM 683 N PRO A 46 -1.177 10.461 3.375 1.00 0.00 N ATOM 684 CA PRO A 46 0.174 10.516 2.783 1.00 0.00 C ATOM 685 C PRO A 46 1.338 9.915 3.597 1.00 0.00 C ATOM 686 O PRO A 46 2.364 9.554 3.022 1.00 0.00 O ATOM 687 CB PRO A 46 0.425 12.002 2.506 1.00 0.00 C ATOM 688 CG PRO A 46 -0.974 12.548 2.242 1.00 0.00 C ATOM 689 CD PRO A 46 -1.843 11.748 3.209 1.00 0.00 C ATOM 0 HA PRO A 46 0.170 9.876 1.901 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.896 12.496 3.356 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.082 12.146 1.648 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.033 13.619 2.438 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -1.278 12.396 1.206 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.940 12.263 4.164 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -2.850 11.618 2.813 1.00 0.00 H new ATOM 697 N ASN A 47 1.186 9.774 4.920 1.00 0.00 N ATOM 698 CA ASN A 47 2.138 9.137 5.826 1.00 0.00 C ATOM 699 C ASN A 47 2.006 7.598 5.929 1.00 0.00 C ATOM 700 O ASN A 47 2.816 6.971 6.612 1.00 0.00 O ATOM 701 CB ASN A 47 2.032 9.815 7.206 1.00 0.00 C ATOM 702 CG ASN A 47 0.680 9.655 7.889 1.00 0.00 C ATOM 703 OD1 ASN A 47 -0.144 8.818 7.541 1.00 0.00 O ATOM 704 ND2 ASN A 47 0.401 10.457 8.896 1.00 0.00 N ATOM 0 H ASN A 47 0.357 10.118 5.405 1.00 0.00 H new ATOM 0 HA ASN A 47 3.133 9.283 5.404 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.804 9.406 7.858 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.243 10.878 7.091 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.494 10.378 9.378 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.080 11.157 9.194 1.00 0.00 H new ATOM 711 N GLY A 48 1.003 6.996 5.274 1.00 0.00 N ATOM 712 CA GLY A 48 0.713 5.558 5.287 1.00 0.00 C ATOM 713 C GLY A 48 -0.429 5.144 6.225 1.00 0.00 C ATOM 714 O GLY A 48 -0.735 3.957 6.313 1.00 0.00 O ATOM 0 H GLY A 48 0.345 7.521 4.697 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.466 5.242 4.274 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.616 5.021 5.577 1.00 0.00 H new ATOM 718 N THR A 49 -1.070 6.092 6.923 1.00 0.00 N ATOM 719 CA THR A 49 -2.157 5.822 7.879 1.00 0.00 C ATOM 720 C THR A 49 -3.421 5.408 7.128 1.00 0.00 C ATOM 721 O THR A 49 -3.964 6.199 6.364 1.00 0.00 O ATOM 722 CB THR A 49 -2.464 7.043 8.761 1.00 0.00 C ATOM 723 OG1 THR A 49 -1.292 7.494 9.392 1.00 0.00 O ATOM 724 CG2 THR A 49 -3.480 6.730 9.861 1.00 0.00 C ATOM 0 H THR A 49 -0.846 7.083 6.839 1.00 0.00 H new ATOM 0 HA THR A 49 -1.826 5.012 8.529 1.00 0.00 H new ATOM 0 HB THR A 49 -2.877 7.801 8.096 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.622 7.721 8.714 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.661 7.626 10.455 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.415 6.399 9.409 1.00 0.00 H new ATOM 0 HG23 THR A 49 -3.089 5.942 10.504 1.00 0.00 H new ATOM 732 N GLU A 50 -3.880 4.172 7.325 1.00 0.00 N ATOM 733 CA GLU A 50 -5.070 3.618 6.678 1.00 0.00 C ATOM 734 C GLU A 50 -6.374 4.378 6.984 1.00 0.00 C ATOM 735 O GLU A 50 -6.600 4.844 8.097 1.00 0.00 O ATOM 736 CB GLU A 50 -5.162 2.128 7.060 1.00 0.00 C ATOM 737 CG GLU A 50 -6.423 1.424 6.528 1.00 0.00 C ATOM 738 CD GLU A 50 -6.380 -0.105 6.611 1.00 0.00 C ATOM 739 OE1 GLU A 50 -5.328 -0.674 6.979 1.00 0.00 O ATOM 740 OE2 GLU A 50 -7.423 -0.717 6.294 1.00 0.00 O ATOM 0 H GLU A 50 -3.423 3.512 7.954 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.957 3.733 5.600 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.281 1.611 6.680 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.139 2.040 8.146 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.287 1.781 7.088 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.575 1.715 5.488 1.00 0.00 H new ATOM 747 N VAL A 51 -7.248 4.435 5.971 1.00 0.00 N ATOM 748 CA VAL A 51 -8.648 4.866 6.021 1.00 0.00 C ATOM 749 C VAL A 51 -9.461 3.556 6.146 1.00 0.00 C ATOM 750 O VAL A 51 -9.825 2.970 5.120 1.00 0.00 O ATOM 751 CB VAL A 51 -9.026 5.647 4.737 1.00 0.00 C ATOM 752 CG1 VAL A 51 -10.457 6.190 4.847 1.00 0.00 C ATOM 753 CG2 VAL A 51 -8.086 6.825 4.442 1.00 0.00 C ATOM 0 H VAL A 51 -6.974 4.161 5.028 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.845 5.543 6.852 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.937 4.933 3.918 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.710 6.737 3.938 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -11.152 5.360 4.977 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.527 6.859 5.704 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.408 7.328 3.530 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.113 7.529 5.274 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.069 6.455 4.313 1.00 0.00 H new ATOM 763 N PRO A 52 -9.755 3.039 7.360 1.00 0.00 N ATOM 764 CA PRO A 52 -10.268 1.672 7.541 1.00 0.00 C ATOM 765 C PRO A 52 -11.634 1.349 6.955 1.00 0.00 C ATOM 766 O PRO A 52 -11.987 0.199 6.715 1.00 0.00 O ATOM 767 CB PRO A 52 -10.183 1.389 9.042 1.00 0.00 C ATOM 768 CG PRO A 52 -10.331 2.784 9.650 1.00 0.00 C ATOM 769 CD PRO A 52 -9.573 3.668 8.659 1.00 0.00 C ATOM 0 HA PRO A 52 -9.647 1.003 6.946 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -10.974 0.716 9.374 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.235 0.926 9.315 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.377 3.078 9.737 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.901 2.837 10.650 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.965 4.685 8.661 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -8.517 3.733 8.919 1.00 0.00 H new ATOM 777 N ASN A 53 -12.336 2.402 6.601 1.00 0.00 N ATOM 778 CA ASN A 53 -13.594 2.413 5.872 1.00 0.00 C ATOM 779 C ASN A 53 -13.457 1.931 4.419 1.00 0.00 C ATOM 780 O ASN A 53 -14.455 1.672 3.755 1.00 0.00 O ATOM 781 CB ASN A 53 -14.200 3.828 5.931 1.00 0.00 C ATOM 782 CG ASN A 53 -14.161 4.440 7.324 1.00 0.00 C ATOM 783 OD1 ASN A 53 -13.138 4.946 7.764 1.00 0.00 O ATOM 784 ND2 ASN A 53 -15.254 4.406 8.059 1.00 0.00 N ATOM 0 H ASN A 53 -12.023 3.345 6.830 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.263 1.701 6.356 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.660 4.476 5.241 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.234 3.788 5.588 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -15.249 4.803 8.999 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -16.105 3.983 7.688 1.00 0.00 H new ATOM 791 N THR A 54 -12.215 1.786 3.948 1.00 0.00 N ATOM 792 CA THR A 54 -11.848 1.268 2.629 1.00 0.00 C ATOM 793 C THR A 54 -11.248 -0.137 2.697 1.00 0.00 C ATOM 794 O THR A 54 -10.864 -0.658 1.655 1.00 0.00 O ATOM 795 CB THR A 54 -10.865 2.217 1.925 1.00 0.00 C ATOM 796 OG1 THR A 54 -9.662 2.313 2.660 1.00 0.00 O ATOM 797 CG2 THR A 54 -11.461 3.620 1.772 1.00 0.00 C ATOM 0 H THR A 54 -11.399 2.040 4.505 1.00 0.00 H new ATOM 0 HA THR A 54 -12.771 1.206 2.053 1.00 0.00 H new ATOM 0 HB THR A 54 -10.665 1.805 0.936 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.824 2.809 3.490 1.00 0.00 H new ATOM 0 HG21 THR A 54 -10.742 4.268 1.271 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.374 3.565 1.180 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.691 4.027 2.757 1.00 0.00 H new ATOM 805 N ARG A 55 -11.159 -0.761 3.887 1.00 0.00 N ATOM 806 CA ARG A 55 -10.515 -2.075 4.067 1.00 0.00 C ATOM 807 C ARG A 55 -11.258 -3.165 3.272 1.00 0.00 C ATOM 808 O ARG A 55 -12.226 -3.756 3.760 1.00 0.00 O ATOM 809 CB ARG A 55 -10.419 -2.386 5.575 1.00 0.00 C ATOM 810 CG ARG A 55 -9.914 -3.791 5.945 1.00 0.00 C ATOM 811 CD ARG A 55 -8.643 -4.258 5.228 1.00 0.00 C ATOM 812 NE ARG A 55 -7.437 -3.566 5.701 1.00 0.00 N ATOM 813 CZ ARG A 55 -6.223 -4.098 5.791 1.00 0.00 C ATOM 814 NH1 ARG A 55 -5.984 -5.338 5.427 1.00 0.00 N ATOM 815 NH2 ARG A 55 -5.212 -3.395 6.244 1.00 0.00 N ATOM 0 H ARG A 55 -11.532 -0.367 4.751 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.502 -2.054 3.666 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.758 -1.652 6.035 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.406 -2.249 6.017 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.732 -3.819 7.019 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.709 -4.508 5.737 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -8.522 -5.331 5.375 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -8.754 -4.093 4.156 1.00 0.00 H new ATOM 0 HE ARG A 55 -7.541 -2.592 5.985 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -6.741 -5.918 5.064 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -5.042 -5.720 5.507 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -5.353 -2.427 6.533 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -4.285 -3.817 6.308 1.00 0.00 H new ATOM 829 N SER A 56 -10.809 -3.451 2.046 1.00 0.00 N ATOM 830 CA SER A 56 -11.555 -4.281 1.096 1.00 0.00 C ATOM 831 C SER A 56 -10.731 -5.404 0.472 1.00 0.00 C ATOM 832 O SER A 56 -9.501 -5.383 0.444 1.00 0.00 O ATOM 833 CB SER A 56 -12.170 -3.392 0.013 1.00 0.00 C ATOM 834 OG SER A 56 -13.141 -4.130 -0.703 1.00 0.00 O ATOM 0 H SER A 56 -9.917 -3.113 1.684 1.00 0.00 H new ATOM 0 HA SER A 56 -12.340 -4.780 1.664 1.00 0.00 H new ATOM 0 HB2 SER A 56 -12.627 -2.512 0.465 1.00 0.00 H new ATOM 0 HB3 SER A 56 -11.394 -3.036 -0.665 1.00 0.00 H new ATOM 0 HG SER A 56 -13.538 -3.562 -1.396 1.00 0.00 H new ATOM 840 N ARG A 57 -11.464 -6.383 -0.065 1.00 0.00 N ATOM 841 CA ARG A 57 -11.000 -7.656 -0.627 1.00 0.00 C ATOM 842 C ARG A 57 -10.395 -7.511 -2.038 1.00 0.00 C ATOM 843 O ARG A 57 -10.199 -8.508 -2.728 1.00 0.00 O ATOM 844 CB ARG A 57 -12.179 -8.655 -0.647 1.00 0.00 C ATOM 845 CG ARG A 57 -13.121 -8.673 0.575 1.00 0.00 C ATOM 846 CD ARG A 57 -12.431 -8.870 1.934 1.00 0.00 C ATOM 847 NE ARG A 57 -12.443 -7.635 2.746 1.00 0.00 N ATOM 848 CZ ARG A 57 -12.714 -7.516 4.039 1.00 0.00 C ATOM 849 NH1 ARG A 57 -12.996 -8.567 4.773 1.00 0.00 N ATOM 850 NH2 ARG A 57 -12.698 -6.345 4.637 1.00 0.00 N ATOM 0 H ARG A 57 -12.479 -6.300 -0.123 1.00 0.00 H new ATOM 0 HA ARG A 57 -10.196 -8.025 0.010 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -12.781 -8.447 -1.532 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -11.768 -9.657 -0.769 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -13.675 -7.734 0.600 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.851 -9.470 0.438 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -12.931 -9.669 2.482 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.401 -9.189 1.775 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.216 -6.771 2.253 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -13.009 -9.495 4.351 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.202 -8.455 5.766 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.474 -5.504 4.105 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.910 -6.278 5.633 1.00 0.00 H new ATOM 864 N GLY A 58 -10.173 -6.272 -2.486 1.00 0.00 N ATOM 865 CA GLY A 58 -9.720 -5.903 -3.822 1.00 0.00 C ATOM 866 C GLY A 58 -9.629 -4.388 -4.004 1.00 0.00 C ATOM 867 O GLY A 58 -9.884 -3.612 -3.078 1.00 0.00 O ATOM 0 H GLY A 58 -10.314 -5.457 -1.889 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -8.743 -6.349 -4.008 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -10.405 -6.316 -4.563 1.00 0.00 H new ATOM 871 N HIS A 59 -9.234 -3.993 -5.217 1.00 0.00 N ATOM 872 CA HIS A 59 -8.911 -2.629 -5.623 1.00 0.00 C ATOM 873 C HIS A 59 -10.058 -1.622 -5.442 1.00 0.00 C ATOM 874 O HIS A 59 -11.242 -1.955 -5.432 1.00 0.00 O ATOM 875 CB HIS A 59 -8.474 -2.672 -7.098 1.00 0.00 C ATOM 876 CG HIS A 59 -7.673 -1.480 -7.563 1.00 0.00 C ATOM 877 ND1 HIS A 59 -8.136 -0.369 -8.243 1.00 0.00 N ATOM 878 CD2 HIS A 59 -6.317 -1.346 -7.429 1.00 0.00 C ATOM 879 CE1 HIS A 59 -7.072 0.406 -8.517 1.00 0.00 C ATOM 880 NE2 HIS A 59 -5.944 -0.153 -8.055 1.00 0.00 N ATOM 0 H HIS A 59 -9.126 -4.657 -5.984 1.00 0.00 H new ATOM 0 HA HIS A 59 -8.116 -2.271 -4.969 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -7.882 -3.573 -7.260 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -9.363 -2.758 -7.722 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -9.106 -0.173 -8.491 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -5.655 -2.038 -6.930 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -7.119 1.351 -9.038 1.00 0.00 H new ATOM 888 N HIS A 60 -9.660 -0.356 -5.350 1.00 0.00 N ATOM 889 CA HIS A 60 -10.468 0.857 -5.401 1.00 0.00 C ATOM 890 C HIS A 60 -9.529 1.976 -5.875 1.00 0.00 C ATOM 891 O HIS A 60 -8.315 1.786 -5.893 1.00 0.00 O ATOM 892 CB HIS A 60 -11.179 1.136 -4.070 1.00 0.00 C ATOM 893 CG HIS A 60 -10.487 0.605 -2.841 1.00 0.00 C ATOM 894 ND1 HIS A 60 -10.692 -0.622 -2.251 1.00 0.00 N ATOM 895 CD2 HIS A 60 -9.523 1.246 -2.124 1.00 0.00 C ATOM 896 CE1 HIS A 60 -9.898 -0.678 -1.167 1.00 0.00 C ATOM 897 NE2 HIS A 60 -9.153 0.430 -1.062 1.00 0.00 N ATOM 0 H HIS A 60 -8.672 -0.134 -5.226 1.00 0.00 H new ATOM 0 HA HIS A 60 -11.297 0.764 -6.102 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -11.299 2.214 -3.961 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -12.180 0.707 -4.116 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -11.327 -1.352 -2.575 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -9.116 2.222 -2.343 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -9.865 -1.506 -0.474 1.00 0.00 H new ATOM 905 N ASN A 61 -10.044 3.156 -6.229 1.00 0.00 N ATOM 906 CA ASN A 61 -9.283 4.115 -7.015 1.00 0.00 C ATOM 907 C ASN A 61 -8.858 5.401 -6.290 1.00 0.00 C ATOM 908 O ASN A 61 -8.755 6.457 -6.915 1.00 0.00 O ATOM 909 CB ASN A 61 -10.034 4.316 -8.347 1.00 0.00 C ATOM 910 CG ASN A 61 -9.987 3.103 -9.283 1.00 0.00 C ATOM 911 OD1 ASN A 61 -9.939 1.943 -8.886 1.00 0.00 O ATOM 912 ND2 ASN A 61 -9.997 3.341 -10.576 1.00 0.00 N ATOM 0 H ASN A 61 -10.984 3.465 -5.981 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.295 3.700 -7.215 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.076 4.555 -8.132 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -9.610 5.177 -8.864 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -9.965 2.565 -11.238 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.037 4.301 -10.918 1.00 0.00 H new ATOM 919 N CYS A 62 -8.546 5.321 -4.990 1.00 0.00 N ATOM 920 CA CYS A 62 -8.038 6.469 -4.231 1.00 0.00 C ATOM 921 C CYS A 62 -6.763 7.052 -4.854 1.00 0.00 C ATOM 922 O CYS A 62 -5.693 6.456 -4.763 1.00 0.00 O ATOM 923 CB CYS A 62 -7.761 6.126 -2.769 1.00 0.00 C ATOM 924 SG CYS A 62 -9.237 5.852 -1.760 1.00 0.00 S ATOM 0 H CYS A 62 -8.638 4.467 -4.440 1.00 0.00 H new ATOM 0 HA CYS A 62 -8.831 7.216 -4.271 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -7.142 5.230 -2.732 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -7.180 6.934 -2.325 1.00 0.00 H new ATOM 929 N SER A 63 -6.888 8.212 -5.508 1.00 0.00 N ATOM 930 CA SER A 63 -5.859 8.832 -6.353 1.00 0.00 C ATOM 931 C SER A 63 -5.304 7.941 -7.475 1.00 0.00 C ATOM 932 O SER A 63 -4.259 8.249 -8.046 1.00 0.00 O ATOM 933 CB SER A 63 -4.747 9.446 -5.497 1.00 0.00 C ATOM 934 OG SER A 63 -3.857 10.173 -6.314 1.00 0.00 O ATOM 0 H SER A 63 -7.742 8.767 -5.462 1.00 0.00 H new ATOM 0 HA SER A 63 -6.372 9.630 -6.889 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.179 10.102 -4.741 1.00 0.00 H new ATOM 0 HB3 SER A 63 -4.208 8.660 -4.967 1.00 0.00 H new ATOM 0 HG SER A 63 -3.650 9.652 -7.118 1.00 0.00 H new ATOM 940 N GLU A 64 -6.042 6.889 -7.835 1.00 0.00 N ATOM 941 CA GLU A 64 -5.739 6.014 -8.986 1.00 0.00 C ATOM 942 C GLU A 64 -6.678 6.215 -10.185 1.00 0.00 C ATOM 943 O GLU A 64 -6.673 5.435 -11.133 1.00 0.00 O ATOM 944 CB GLU A 64 -5.645 4.527 -8.589 1.00 0.00 C ATOM 945 CG GLU A 64 -4.897 4.202 -7.285 1.00 0.00 C ATOM 946 CD GLU A 64 -3.501 4.822 -7.164 1.00 0.00 C ATOM 947 OE1 GLU A 64 -2.832 4.967 -8.211 1.00 0.00 O ATOM 948 OE2 GLU A 64 -3.104 5.110 -6.014 1.00 0.00 O ATOM 0 H GLU A 64 -6.883 6.610 -7.330 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.751 6.329 -9.321 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.658 4.133 -8.507 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.159 3.989 -9.402 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.502 4.540 -6.444 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.806 3.119 -7.197 1.00 0.00 H new ATOM 955 N SER A 65 -7.456 7.297 -10.140 1.00 0.00 N ATOM 956 CA SER A 65 -8.414 7.775 -11.147 1.00 0.00 C ATOM 957 C SER A 65 -9.101 6.656 -11.936 1.00 0.00 C ATOM 958 O SER A 65 -9.983 5.968 -11.416 1.00 0.00 O ATOM 959 CB SER A 65 -7.702 8.726 -12.110 1.00 0.00 C ATOM 960 OG SER A 65 -8.639 9.246 -13.028 1.00 0.00 O ATOM 0 H SER A 65 -7.433 7.917 -9.330 1.00 0.00 H new ATOM 0 HA SER A 65 -9.206 8.289 -10.603 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.230 9.537 -11.556 1.00 0.00 H new ATOM 0 HB3 SER A 65 -6.909 8.199 -12.641 1.00 0.00 H new ATOM 0 HG SER A 65 -8.187 9.857 -13.646 1.00 0.00 H new TER 966 SER A 65