USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 454 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 50 THR OG1 : rot 67:sc= -0.956! USER MOD Set 1.2: A 51 GLN : amide:sc= -4.97! C(o=-5.9!,f=-9.7!) USER MOD Set 2.1: A 29 TYR OH : rot -108:sc= -1.48! USER MOD Set 2.2: A 38 ASN : amide:sc= -5.31! C(o=-6.8!,f=-8.8!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -174:sc= -1.56! (180deg=-1.68!) USER MOD Single : A 11 HIS :FLIP no HD1:sc= -0.117 F(o=-0.63,f=-0.12) USER MOD Single : A 12 THR OG1 : rot 151:sc= -11.9! USER MOD Single : A 14 ASN : amide:sc= 0.107 X(o=0.11,f=-0.2) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0936 USER MOD Single : A 18 ASN : amide:sc= -0.126 K(o=-0.13,f=-0.94) USER MOD Single : A 21 LYS NZ :NH3+ -148:sc= -0.194 (180deg=-0.8) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 148:sc= -1.95! USER MOD Single : A 31 ASN : amide:sc= -0.974 K(o=-0.97,f=-2!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.256 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 46:sc= 0.00805 USER MOD ----------------------------------------------------------------- ATOM 32 N VAL A 3 8.271 -9.928 0.558 1.00 0.00 N ATOM 33 CA VAL A 3 6.788 -9.826 0.504 1.00 0.00 C ATOM 34 C VAL A 3 6.218 -10.069 1.907 1.00 0.00 C ATOM 35 O VAL A 3 5.161 -9.577 2.253 1.00 0.00 O ATOM 36 CB VAL A 3 6.233 -10.867 -0.470 1.00 0.00 C ATOM 37 CG1 VAL A 3 4.783 -10.518 -0.819 1.00 0.00 C ATOM 38 CG2 VAL A 3 7.078 -10.871 -1.747 1.00 0.00 C ATOM 0 HA VAL A 3 6.501 -8.833 0.160 1.00 0.00 H new ATOM 0 HB VAL A 3 6.268 -11.853 -0.007 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.387 -11.260 -1.513 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.181 -10.514 0.090 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.747 -9.532 -1.282 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.684 -11.612 -2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 3 7.043 -9.885 -2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 3 8.110 -11.119 -1.499 1.00 0.00 H new ATOM 48 N GLU A 4 6.913 -10.821 2.719 1.00 0.00 N ATOM 49 CA GLU A 4 6.414 -11.096 4.100 1.00 0.00 C ATOM 50 C GLU A 4 6.448 -9.815 4.934 1.00 0.00 C ATOM 51 O GLU A 4 5.539 -9.535 5.688 1.00 0.00 O ATOM 52 CB GLU A 4 7.300 -12.152 4.764 1.00 0.00 C ATOM 53 CG GLU A 4 6.584 -12.720 5.993 1.00 0.00 C ATOM 54 CD GLU A 4 7.598 -13.423 6.899 1.00 0.00 C ATOM 55 OE1 GLU A 4 8.574 -12.791 7.265 1.00 0.00 O ATOM 56 OE2 GLU A 4 7.379 -14.582 7.211 1.00 0.00 O ATOM 0 H GLU A 4 7.805 -11.257 2.486 1.00 0.00 H new ATOM 0 HA GLU A 4 5.388 -11.460 4.040 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.522 -12.952 4.058 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.253 -11.711 5.057 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.087 -11.918 6.540 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.810 -13.422 5.683 1.00 0.00 H new ATOM 63 N SER A 5 7.488 -9.037 4.813 1.00 0.00 N ATOM 64 CA SER A 5 7.569 -7.780 5.607 1.00 0.00 C ATOM 65 C SER A 5 6.707 -6.708 4.948 1.00 0.00 C ATOM 66 O SER A 5 5.882 -6.088 5.588 1.00 0.00 O ATOM 67 CB SER A 5 9.022 -7.306 5.673 1.00 0.00 C ATOM 68 OG SER A 5 9.199 -6.496 6.828 1.00 0.00 O ATOM 0 H SER A 5 8.283 -9.217 4.200 1.00 0.00 H new ATOM 0 HA SER A 5 7.207 -7.965 6.618 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.695 -8.163 5.709 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.273 -6.740 4.776 1.00 0.00 H new ATOM 0 HG SER A 5 10.129 -6.192 6.875 1.00 0.00 H new ATOM 74 N CYS A 6 6.878 -6.483 3.675 1.00 0.00 N ATOM 75 CA CYS A 6 6.043 -5.452 3.003 1.00 0.00 C ATOM 76 C CYS A 6 4.584 -5.696 3.401 1.00 0.00 C ATOM 77 O CYS A 6 3.794 -4.778 3.504 1.00 0.00 O ATOM 78 CB CYS A 6 6.209 -5.549 1.481 1.00 0.00 C ATOM 79 SG CYS A 6 4.826 -4.728 0.640 1.00 0.00 S ATOM 0 H CYS A 6 7.552 -6.963 3.078 1.00 0.00 H new ATOM 0 HA CYS A 6 6.352 -4.452 3.309 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.150 -5.088 1.181 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.256 -6.596 1.180 1.00 0.00 H new ATOM 84 N LEU A 7 4.226 -6.931 3.636 1.00 0.00 N ATOM 85 CA LEU A 7 2.825 -7.237 4.039 1.00 0.00 C ATOM 86 C LEU A 7 2.707 -7.122 5.558 1.00 0.00 C ATOM 87 O LEU A 7 1.685 -6.729 6.087 1.00 0.00 O ATOM 88 CB LEU A 7 2.461 -8.651 3.590 1.00 0.00 C ATOM 89 CG LEU A 7 2.614 -8.743 2.073 1.00 0.00 C ATOM 90 CD1 LEU A 7 2.555 -10.207 1.636 1.00 0.00 C ATOM 91 CD2 LEU A 7 1.483 -7.963 1.406 1.00 0.00 C ATOM 0 H LEU A 7 4.844 -7.739 3.566 1.00 0.00 H new ATOM 0 HA LEU A 7 2.141 -6.531 3.569 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.107 -9.380 4.079 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.437 -8.887 3.881 1.00 0.00 H new ATOM 0 HG LEU A 7 3.574 -8.321 1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.664 -10.268 0.553 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.362 -10.762 2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.596 -10.636 1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.587 -8.025 0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.524 -8.387 1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.529 -6.919 1.715 1.00 0.00 H new ATOM 103 N ALA A 8 3.763 -7.422 6.261 1.00 0.00 N ATOM 104 CA ALA A 8 3.738 -7.291 7.744 1.00 0.00 C ATOM 105 C ALA A 8 3.706 -5.798 8.085 1.00 0.00 C ATOM 106 O ALA A 8 3.519 -5.402 9.217 1.00 0.00 O ATOM 107 CB ALA A 8 4.994 -7.929 8.343 1.00 0.00 C ATOM 0 H ALA A 8 4.645 -7.753 5.871 1.00 0.00 H new ATOM 0 HA ALA A 8 2.863 -7.795 8.154 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.970 -7.830 9.428 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.029 -8.985 8.076 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.879 -7.427 7.952 1.00 0.00 H new ATOM 113 N LYS A 9 3.883 -4.980 7.080 1.00 0.00 N ATOM 114 CA LYS A 9 3.861 -3.505 7.239 1.00 0.00 C ATOM 115 C LYS A 9 2.653 -3.094 8.095 1.00 0.00 C ATOM 116 O LYS A 9 1.900 -3.941 8.532 1.00 0.00 O ATOM 117 CB LYS A 9 3.738 -2.941 5.820 1.00 0.00 C ATOM 118 CG LYS A 9 5.138 -2.774 5.231 1.00 0.00 C ATOM 119 CD LYS A 9 5.194 -1.517 4.365 1.00 0.00 C ATOM 120 CE LYS A 9 6.368 -0.644 4.810 1.00 0.00 C ATOM 121 NZ LYS A 9 6.243 -0.345 6.265 1.00 0.00 N ATOM 0 H LYS A 9 4.048 -5.292 6.123 1.00 0.00 H new ATOM 0 HA LYS A 9 4.754 -3.129 7.738 1.00 0.00 H new ATOM 0 HB2 LYS A 9 3.145 -3.611 5.198 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.220 -1.982 5.839 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.873 -2.706 6.033 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.397 -3.649 4.634 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.307 -1.790 3.316 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.260 -0.961 4.451 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.310 -1.155 4.613 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.383 0.283 4.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.983 0.330 6.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.308 0.068 6.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.351 -1.224 6.811 1.00 0.00 H new ATOM 135 N PRO A 10 2.472 -1.805 8.293 1.00 0.00 N ATOM 136 CA PRO A 10 1.334 -1.300 9.072 1.00 0.00 C ATOM 137 C PRO A 10 0.059 -1.441 8.236 1.00 0.00 C ATOM 138 O PRO A 10 -1.028 -1.115 8.668 1.00 0.00 O ATOM 139 CB PRO A 10 1.695 0.161 9.354 1.00 0.00 C ATOM 140 CG PRO A 10 2.736 0.565 8.287 1.00 0.00 C ATOM 141 CD PRO A 10 3.355 -0.746 7.759 1.00 0.00 C ATOM 0 HA PRO A 10 1.149 -1.840 10.001 1.00 0.00 H new ATOM 0 HB2 PRO A 10 0.812 0.798 9.296 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.104 0.273 10.358 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.266 1.125 7.479 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.502 1.210 8.717 1.00 0.00 H new ATOM 0 HD2 PRO A 10 3.383 -0.763 6.669 1.00 0.00 H new ATOM 0 HD3 PRO A 10 4.381 -0.870 8.106 1.00 0.00 H new ATOM 149 N HIS A 11 0.206 -1.965 7.044 1.00 0.00 N ATOM 150 CA HIS A 11 -0.945 -2.198 6.147 1.00 0.00 C ATOM 151 C HIS A 11 -1.483 -0.906 5.557 1.00 0.00 C ATOM 152 O HIS A 11 -1.161 0.192 5.967 1.00 0.00 O ATOM 153 CB HIS A 11 -2.071 -2.917 6.890 1.00 0.00 C ATOM 154 CG HIS A 11 -2.049 -4.379 6.526 1.00 0.00 C ATOM 155 ND1 HIS A 11 -3.053 -5.257 6.202 1.00 0.00 N flip ATOM 156 CD2 HIS A 11 -0.870 -5.113 6.459 1.00 0.00 C flip ATOM 157 CE1 HIS A 11 -2.512 -6.512 5.937 1.00 0.00 C flip ATOM 158 NE2 HIS A 11 -1.195 -6.370 6.106 1.00 0.00 N flip ATOM 0 H HIS A 11 1.106 -2.245 6.654 1.00 0.00 H new ATOM 0 HA HIS A 11 -0.583 -2.822 5.330 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -1.948 -2.796 7.966 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -3.034 -2.479 6.628 1.00 0.00 H new ATOM 0 HD2 HIS A 11 0.125 -4.742 6.655 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -3.044 -7.409 5.655 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -0.518 -7.123 5.983 1.00 0.00 H new ATOM 166 N THR A 12 -2.312 -1.092 4.584 1.00 0.00 N ATOM 167 CA THR A 12 -2.982 0.000 3.840 1.00 0.00 C ATOM 168 C THR A 12 -2.829 1.382 4.492 1.00 0.00 C ATOM 169 O THR A 12 -2.403 2.314 3.842 1.00 0.00 O ATOM 170 CB THR A 12 -4.450 -0.417 3.705 1.00 0.00 C ATOM 171 OG1 THR A 12 -4.984 0.009 2.474 1.00 0.00 O ATOM 172 CG2 THR A 12 -5.285 0.143 4.856 1.00 0.00 C ATOM 0 H THR A 12 -2.570 -2.021 4.252 1.00 0.00 H new ATOM 0 HA THR A 12 -2.510 0.127 2.866 1.00 0.00 H new ATOM 0 HB THR A 12 -4.488 -1.506 3.743 1.00 0.00 H new ATOM 0 HG1 THR A 12 -5.692 -0.608 2.193 1.00 0.00 H new ATOM 0 HG21 THR A 12 -6.323 -0.167 4.737 1.00 0.00 H new ATOM 0 HG22 THR A 12 -4.900 -0.235 5.803 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.229 1.232 4.850 1.00 0.00 H new ATOM 180 N GLU A 13 -3.177 1.550 5.735 1.00 0.00 N ATOM 181 CA GLU A 13 -3.044 2.908 6.342 1.00 0.00 C ATOM 182 C GLU A 13 -1.704 3.527 5.933 1.00 0.00 C ATOM 183 O GLU A 13 -0.670 3.257 6.511 1.00 0.00 O ATOM 184 CB GLU A 13 -3.132 2.818 7.866 1.00 0.00 C ATOM 185 CG GLU A 13 -3.622 4.156 8.422 1.00 0.00 C ATOM 186 CD GLU A 13 -2.823 4.510 9.678 1.00 0.00 C ATOM 187 OE1 GLU A 13 -2.341 3.597 10.327 1.00 0.00 O ATOM 188 OE2 GLU A 13 -2.706 5.690 9.968 1.00 0.00 O ATOM 0 H GLU A 13 -3.542 0.823 6.350 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.857 3.538 5.981 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.814 2.019 8.156 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.156 2.572 8.285 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.506 4.938 7.672 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.684 4.096 8.659 1.00 0.00 H new ATOM 195 N ASN A 14 -1.731 4.351 4.922 1.00 0.00 N ATOM 196 CA ASN A 14 -0.490 5.004 4.425 1.00 0.00 C ATOM 197 C ASN A 14 -0.817 5.690 3.101 1.00 0.00 C ATOM 198 O ASN A 14 -1.944 6.081 2.862 1.00 0.00 O ATOM 199 CB ASN A 14 0.594 3.949 4.189 1.00 0.00 C ATOM 200 CG ASN A 14 1.857 4.330 4.963 1.00 0.00 C ATOM 201 OD1 ASN A 14 2.601 5.196 4.546 1.00 0.00 O ATOM 202 ND2 ASN A 14 2.133 3.716 6.081 1.00 0.00 N ATOM 0 H ASN A 14 -2.577 4.603 4.411 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.128 5.726 5.157 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.239 2.970 4.511 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.816 3.873 3.125 1.00 0.00 H new ATOM 0 HD21 ASN A 14 2.973 3.963 6.605 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.509 2.989 6.431 1.00 0.00 H new ATOM 209 N SER A 15 0.141 5.838 2.231 1.00 0.00 N ATOM 210 CA SER A 15 -0.164 6.490 0.936 1.00 0.00 C ATOM 211 C SER A 15 1.081 6.545 0.062 1.00 0.00 C ATOM 212 O SER A 15 2.105 5.969 0.370 1.00 0.00 O ATOM 213 CB SER A 15 -0.658 7.909 1.196 1.00 0.00 C ATOM 214 OG SER A 15 0.288 8.598 2.002 1.00 0.00 O ATOM 0 H SER A 15 1.108 5.539 2.360 1.00 0.00 H new ATOM 0 HA SER A 15 -0.931 5.913 0.420 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.800 8.435 0.252 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.627 7.883 1.695 1.00 0.00 H new ATOM 0 HG SER A 15 -0.027 9.511 2.169 1.00 0.00 H new ATOM 220 N PHE A 16 0.988 7.239 -1.033 1.00 0.00 N ATOM 221 CA PHE A 16 2.145 7.348 -1.951 1.00 0.00 C ATOM 222 C PHE A 16 1.790 8.341 -3.062 1.00 0.00 C ATOM 223 O PHE A 16 0.641 8.468 -3.434 1.00 0.00 O ATOM 224 CB PHE A 16 2.432 5.975 -2.560 1.00 0.00 C ATOM 225 CG PHE A 16 3.756 6.011 -3.280 1.00 0.00 C ATOM 226 CD1 PHE A 16 3.835 6.575 -4.556 1.00 0.00 C ATOM 227 CD2 PHE A 16 4.904 5.487 -2.673 1.00 0.00 C ATOM 228 CE1 PHE A 16 5.060 6.617 -5.229 1.00 0.00 C ATOM 229 CE2 PHE A 16 6.131 5.529 -3.347 1.00 0.00 C ATOM 230 CZ PHE A 16 6.209 6.094 -4.626 1.00 0.00 C ATOM 0 H PHE A 16 0.151 7.739 -1.332 1.00 0.00 H new ATOM 0 HA PHE A 16 3.027 7.694 -1.412 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.452 5.216 -1.778 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.637 5.699 -3.253 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.949 6.979 -5.023 1.00 0.00 H new ATOM 0 HD2 PHE A 16 4.843 5.051 -1.687 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.119 7.054 -6.215 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.017 5.125 -2.880 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.155 6.126 -5.146 1.00 0.00 H new ATOM 240 N THR A 17 2.746 9.052 -3.596 1.00 0.00 N ATOM 241 CA THR A 17 2.409 10.023 -4.677 1.00 0.00 C ATOM 242 C THR A 17 2.862 9.470 -6.029 1.00 0.00 C ATOM 243 O THR A 17 3.712 8.609 -6.104 1.00 0.00 O ATOM 244 CB THR A 17 3.067 11.378 -4.404 1.00 0.00 C ATOM 245 OG1 THR A 17 3.442 11.977 -5.637 1.00 0.00 O ATOM 246 CG2 THR A 17 4.308 11.193 -3.527 1.00 0.00 C ATOM 0 H THR A 17 3.731 9.005 -3.336 1.00 0.00 H new ATOM 0 HA THR A 17 1.329 10.168 -4.699 1.00 0.00 H new ATOM 0 HB THR A 17 2.358 12.021 -3.883 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.862 12.845 -5.464 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.768 12.163 -3.339 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.019 10.738 -2.579 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.021 10.546 -4.038 1.00 0.00 H new ATOM 254 N ASN A 18 2.278 9.936 -7.100 1.00 0.00 N ATOM 255 CA ASN A 18 2.653 9.405 -8.441 1.00 0.00 C ATOM 256 C ASN A 18 2.047 8.002 -8.592 1.00 0.00 C ATOM 257 O ASN A 18 2.279 7.310 -9.564 1.00 0.00 O ATOM 258 CB ASN A 18 4.177 9.329 -8.564 1.00 0.00 C ATOM 259 CG ASN A 18 4.606 9.909 -9.914 1.00 0.00 C ATOM 260 OD1 ASN A 18 3.879 9.822 -10.884 1.00 0.00 O ATOM 261 ND2 ASN A 18 5.765 10.501 -10.019 1.00 0.00 N ATOM 0 H ASN A 18 1.559 10.660 -7.104 1.00 0.00 H new ATOM 0 HA ASN A 18 2.274 10.063 -9.223 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.647 9.883 -7.751 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.509 8.294 -8.478 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.060 10.890 -10.915 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.376 10.574 -9.205 1.00 0.00 H new ATOM 268 N VAL A 19 1.263 7.592 -7.628 1.00 0.00 N ATOM 269 CA VAL A 19 0.614 6.251 -7.673 1.00 0.00 C ATOM 270 C VAL A 19 0.096 5.954 -9.081 1.00 0.00 C ATOM 271 O VAL A 19 -0.218 6.848 -9.842 1.00 0.00 O ATOM 272 CB VAL A 19 -0.568 6.262 -6.700 1.00 0.00 C ATOM 273 CG1 VAL A 19 -1.315 4.930 -6.757 1.00 0.00 C ATOM 274 CG2 VAL A 19 -0.052 6.498 -5.280 1.00 0.00 C ATOM 0 H VAL A 19 1.043 8.142 -6.797 1.00 0.00 H new ATOM 0 HA VAL A 19 1.340 5.485 -7.399 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.253 7.062 -6.982 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.153 4.953 -6.060 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.688 4.765 -7.768 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.638 4.121 -6.484 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.891 6.506 -4.585 1.00 0.00 H new ATOM 0 HG22 VAL A 19 0.638 5.700 -5.006 1.00 0.00 H new ATOM 0 HG23 VAL A 19 0.466 7.456 -5.236 1.00 0.00 H new ATOM 284 N TRP A 20 -0.023 4.699 -9.419 1.00 0.00 N ATOM 285 CA TRP A 20 -0.550 4.333 -10.760 1.00 0.00 C ATOM 286 C TRP A 20 -1.704 3.339 -10.574 1.00 0.00 C ATOM 287 O TRP A 20 -2.140 3.076 -9.470 1.00 0.00 O ATOM 288 CB TRP A 20 0.582 3.717 -11.615 1.00 0.00 C ATOM 289 CG TRP A 20 0.513 2.217 -11.603 1.00 0.00 C ATOM 290 CD1 TRP A 20 -0.080 1.457 -12.554 1.00 0.00 C ATOM 291 CD2 TRP A 20 1.045 1.292 -10.615 1.00 0.00 C ATOM 292 NE1 TRP A 20 0.036 0.126 -12.201 1.00 0.00 N ATOM 293 CE2 TRP A 20 0.731 -0.028 -11.017 1.00 0.00 C ATOM 294 CE3 TRP A 20 1.760 1.469 -9.420 1.00 0.00 C ATOM 295 CZ2 TRP A 20 1.113 -1.133 -10.257 1.00 0.00 C ATOM 296 CZ3 TRP A 20 2.148 0.362 -8.653 1.00 0.00 C ATOM 297 CH2 TRP A 20 1.826 -0.937 -9.071 1.00 0.00 C ATOM 0 H TRP A 20 0.223 3.910 -8.821 1.00 0.00 H new ATOM 0 HA TRP A 20 -0.919 5.217 -11.280 1.00 0.00 H new ATOM 0 HB2 TRP A 20 0.506 4.079 -12.640 1.00 0.00 H new ATOM 0 HB3 TRP A 20 1.549 4.043 -11.233 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -0.565 1.830 -13.444 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -0.344 -0.647 -12.747 1.00 0.00 H new ATOM 0 HE3 TRP A 20 2.013 2.466 -9.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 0.860 -2.131 -10.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 2.698 0.510 -7.735 1.00 0.00 H new ATOM 0 HH2 TRP A 20 2.129 -1.786 -8.476 1.00 0.00 H new ATOM 308 N LYS A 21 -2.184 2.773 -11.641 1.00 0.00 N ATOM 309 CA LYS A 21 -3.287 1.783 -11.529 1.00 0.00 C ATOM 310 C LYS A 21 -3.068 0.700 -12.579 1.00 0.00 C ATOM 311 O LYS A 21 -3.223 0.930 -13.763 1.00 0.00 O ATOM 312 CB LYS A 21 -4.635 2.463 -11.770 1.00 0.00 C ATOM 313 CG LYS A 21 -5.750 1.426 -11.623 1.00 0.00 C ATOM 314 CD LYS A 21 -6.833 1.679 -12.675 1.00 0.00 C ATOM 315 CE LYS A 21 -6.342 1.194 -14.039 1.00 0.00 C ATOM 316 NZ LYS A 21 -6.077 2.368 -14.917 1.00 0.00 N ATOM 0 H LYS A 21 -1.859 2.954 -12.591 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.291 1.349 -10.529 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.780 3.275 -11.057 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.661 2.905 -12.766 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.343 0.422 -11.740 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -6.181 1.481 -10.623 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.750 1.158 -12.401 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.071 2.742 -12.719 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.434 0.602 -13.921 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.089 0.545 -14.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.275 2.114 -15.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.690 3.159 -14.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.081 2.652 -14.825 1.00 0.00 H new ATOM 330 N ASP A 22 -2.687 -0.472 -12.163 1.00 0.00 N ATOM 331 CA ASP A 22 -2.435 -1.554 -13.141 1.00 0.00 C ATOM 332 C ASP A 22 -3.745 -2.228 -13.536 1.00 0.00 C ATOM 333 O ASP A 22 -4.495 -2.705 -12.696 1.00 0.00 O ATOM 334 CB ASP A 22 -1.512 -2.596 -12.509 1.00 0.00 C ATOM 335 CG ASP A 22 -0.421 -2.989 -13.508 1.00 0.00 C ATOM 336 OD1 ASP A 22 -0.407 -2.430 -14.593 1.00 0.00 O ATOM 337 OD2 ASP A 22 0.384 -3.842 -13.170 1.00 0.00 O ATOM 0 H ASP A 22 -2.540 -0.725 -11.186 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.971 -1.126 -14.030 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.061 -2.194 -11.602 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.086 -3.476 -12.217 1.00 0.00 H new ATOM 342 N ASP A 23 -4.003 -2.305 -14.813 1.00 0.00 N ATOM 343 CA ASP A 23 -5.230 -2.993 -15.280 1.00 0.00 C ATOM 344 C ASP A 23 -4.968 -4.493 -15.167 1.00 0.00 C ATOM 345 O ASP A 23 -5.873 -5.301 -15.148 1.00 0.00 O ATOM 346 CB ASP A 23 -5.518 -2.619 -16.735 1.00 0.00 C ATOM 347 CG ASP A 23 -7.013 -2.338 -16.904 1.00 0.00 C ATOM 348 OD1 ASP A 23 -7.744 -3.275 -17.182 1.00 0.00 O ATOM 349 OD2 ASP A 23 -7.400 -1.192 -16.750 1.00 0.00 O ATOM 0 H ASP A 23 -3.414 -1.919 -15.551 1.00 0.00 H new ATOM 0 HA ASP A 23 -6.093 -2.702 -14.682 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.938 -1.740 -17.017 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.212 -3.429 -17.397 1.00 0.00 H new ATOM 354 N LYS A 24 -3.713 -4.860 -15.065 1.00 0.00 N ATOM 355 CA LYS A 24 -3.349 -6.290 -14.918 1.00 0.00 C ATOM 356 C LYS A 24 -3.563 -6.679 -13.460 1.00 0.00 C ATOM 357 O LYS A 24 -4.278 -7.611 -13.148 1.00 0.00 O ATOM 358 CB LYS A 24 -1.874 -6.469 -15.278 1.00 0.00 C ATOM 359 CG LYS A 24 -1.749 -7.334 -16.532 1.00 0.00 C ATOM 360 CD LYS A 24 -2.182 -8.766 -16.212 1.00 0.00 C ATOM 361 CE LYS A 24 -3.112 -9.278 -17.313 1.00 0.00 C ATOM 362 NZ LYS A 24 -2.896 -10.740 -17.508 1.00 0.00 N ATOM 0 H LYS A 24 -2.922 -4.216 -15.078 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.958 -6.913 -15.573 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -1.411 -5.497 -15.448 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.342 -6.935 -14.449 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.368 -6.926 -17.331 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.720 -7.326 -16.891 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -1.308 -9.412 -16.131 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.691 -8.796 -15.249 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.151 -9.086 -17.044 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.919 -8.744 -18.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.529 -11.088 -18.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.908 -10.911 -17.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.101 -11.243 -16.621 1.00 0.00 H new ATOM 376 N THR A 25 -2.961 -5.949 -12.562 1.00 0.00 N ATOM 377 CA THR A 25 -3.142 -6.247 -11.118 1.00 0.00 C ATOM 378 C THR A 25 -4.611 -6.037 -10.780 1.00 0.00 C ATOM 379 O THR A 25 -5.146 -6.639 -9.871 1.00 0.00 O ATOM 380 CB THR A 25 -2.279 -5.301 -10.276 1.00 0.00 C ATOM 381 OG1 THR A 25 -2.804 -3.983 -10.361 1.00 0.00 O ATOM 382 CG2 THR A 25 -0.841 -5.315 -10.797 1.00 0.00 C ATOM 0 H THR A 25 -2.351 -5.158 -12.769 1.00 0.00 H new ATOM 0 HA THR A 25 -2.841 -7.272 -10.903 1.00 0.00 H new ATOM 0 HB THR A 25 -2.287 -5.630 -9.237 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.640 -3.511 -9.518 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.230 -4.641 -10.196 1.00 0.00 H new ATOM 0 HG22 THR A 25 -0.440 -6.326 -10.730 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.827 -4.987 -11.837 1.00 0.00 H new ATOM 390 N LEU A 26 -5.267 -5.190 -11.526 1.00 0.00 N ATOM 391 CA LEU A 26 -6.713 -4.945 -11.276 1.00 0.00 C ATOM 392 C LEU A 26 -6.897 -4.150 -9.986 1.00 0.00 C ATOM 393 O LEU A 26 -7.579 -4.585 -9.079 1.00 0.00 O ATOM 394 CB LEU A 26 -7.421 -6.293 -11.135 1.00 0.00 C ATOM 395 CG LEU A 26 -8.416 -6.480 -12.279 1.00 0.00 C ATOM 396 CD1 LEU A 26 -9.593 -5.520 -12.096 1.00 0.00 C ATOM 397 CD2 LEU A 26 -7.725 -6.193 -13.614 1.00 0.00 C ATOM 0 H LEU A 26 -4.863 -4.658 -12.297 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.132 -4.378 -12.107 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.689 -7.101 -11.143 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.940 -6.342 -10.178 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.781 -7.507 -12.275 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.302 -5.654 -12.913 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.088 -5.728 -11.147 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.228 -4.493 -12.097 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.437 -6.327 -14.428 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.356 -5.167 -13.620 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.889 -6.880 -13.746 1.00 0.00 H new ATOM 409 N ASP A 27 -6.306 -2.991 -9.877 1.00 0.00 N ATOM 410 CA ASP A 27 -6.487 -2.215 -8.615 1.00 0.00 C ATOM 411 C ASP A 27 -5.505 -1.048 -8.552 1.00 0.00 C ATOM 412 O ASP A 27 -4.644 -0.899 -9.397 1.00 0.00 O ATOM 413 CB ASP A 27 -6.218 -3.140 -7.431 1.00 0.00 C ATOM 414 CG ASP A 27 -7.518 -3.387 -6.665 1.00 0.00 C ATOM 415 OD1 ASP A 27 -8.093 -2.424 -6.186 1.00 0.00 O ATOM 416 OD2 ASP A 27 -7.916 -4.536 -6.568 1.00 0.00 O ATOM 0 H ASP A 27 -5.719 -2.555 -10.588 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.504 -1.824 -8.584 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.806 -4.086 -7.782 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.474 -2.694 -6.770 1.00 0.00 H new ATOM 421 N ARG A 28 -5.611 -0.231 -7.536 1.00 0.00 N ATOM 422 CA ARG A 28 -4.665 0.905 -7.401 1.00 0.00 C ATOM 423 C ARG A 28 -3.414 0.383 -6.699 1.00 0.00 C ATOM 424 O ARG A 28 -3.483 -0.540 -5.913 1.00 0.00 O ATOM 425 CB ARG A 28 -5.304 2.012 -6.563 1.00 0.00 C ATOM 426 CG ARG A 28 -4.863 3.377 -7.093 1.00 0.00 C ATOM 427 CD ARG A 28 -5.847 3.852 -8.166 1.00 0.00 C ATOM 428 NE ARG A 28 -7.159 4.165 -7.533 1.00 0.00 N ATOM 429 CZ ARG A 28 -8.245 4.186 -8.258 1.00 0.00 C ATOM 430 NH1 ARG A 28 -8.255 4.816 -9.402 1.00 0.00 N ATOM 431 NH2 ARG A 28 -9.322 3.579 -7.839 1.00 0.00 N ATOM 0 H ARG A 28 -6.311 -0.305 -6.798 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.413 1.314 -8.380 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.390 1.930 -6.601 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.013 1.905 -5.518 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.821 4.099 -6.278 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.858 3.309 -7.510 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.454 4.735 -8.669 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.973 3.081 -8.926 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.209 4.363 -6.534 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.414 5.292 -9.730 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.103 4.832 -9.968 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -9.316 3.088 -6.945 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.170 3.596 -8.406 1.00 0.00 H new ATOM 445 N TYR A 29 -2.272 0.941 -6.975 1.00 0.00 N ATOM 446 CA TYR A 29 -1.045 0.432 -6.307 1.00 0.00 C ATOM 447 C TYR A 29 -0.001 1.542 -6.195 1.00 0.00 C ATOM 448 O TYR A 29 0.079 2.430 -7.025 1.00 0.00 O ATOM 449 CB TYR A 29 -0.476 -0.732 -7.119 1.00 0.00 C ATOM 450 CG TYR A 29 -1.449 -1.886 -7.086 1.00 0.00 C ATOM 451 CD1 TYR A 29 -2.464 -1.973 -8.046 1.00 0.00 C ATOM 452 CD2 TYR A 29 -1.336 -2.869 -6.096 1.00 0.00 C ATOM 453 CE1 TYR A 29 -3.367 -3.043 -8.014 1.00 0.00 C ATOM 454 CE2 TYR A 29 -2.237 -3.939 -6.064 1.00 0.00 C ATOM 455 CZ TYR A 29 -3.254 -4.026 -7.023 1.00 0.00 C ATOM 456 OH TYR A 29 -4.143 -5.081 -6.993 1.00 0.00 O ATOM 0 H TYR A 29 -2.134 1.716 -7.624 1.00 0.00 H new ATOM 0 HA TYR A 29 -1.300 0.092 -5.303 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -0.299 -0.420 -8.148 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.486 -1.040 -6.709 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -2.551 -1.215 -8.811 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.552 -2.801 -5.356 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -4.151 -3.110 -8.754 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -2.148 -4.697 -5.300 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.755 -4.972 -6.235 1.00 0.00 H new ATOM 466 N ALA A 30 0.799 1.493 -5.165 1.00 0.00 N ATOM 467 CA ALA A 30 1.848 2.533 -4.976 1.00 0.00 C ATOM 468 C ALA A 30 3.199 1.852 -4.748 1.00 0.00 C ATOM 469 O ALA A 30 3.393 1.144 -3.780 1.00 0.00 O ATOM 470 CB ALA A 30 1.495 3.393 -3.760 1.00 0.00 C ATOM 0 H ALA A 30 0.770 0.773 -4.443 1.00 0.00 H new ATOM 0 HA ALA A 30 1.904 3.165 -5.863 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.261 4.155 -3.619 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.530 3.874 -3.922 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.442 2.763 -2.872 1.00 0.00 H new ATOM 476 N ASN A 31 4.133 2.056 -5.636 1.00 0.00 N ATOM 477 CA ASN A 31 5.469 1.415 -5.475 1.00 0.00 C ATOM 478 C ASN A 31 6.230 2.080 -4.328 1.00 0.00 C ATOM 479 O ASN A 31 6.727 3.181 -4.455 1.00 0.00 O ATOM 480 CB ASN A 31 6.273 1.573 -6.769 1.00 0.00 C ATOM 481 CG ASN A 31 5.326 1.568 -7.971 1.00 0.00 C ATOM 482 OD1 ASN A 31 4.793 2.595 -8.343 1.00 0.00 O ATOM 483 ND2 ASN A 31 5.092 0.448 -8.596 1.00 0.00 N ATOM 0 H ASN A 31 4.029 2.639 -6.466 1.00 0.00 H new ATOM 0 HA ASN A 31 5.331 0.357 -5.254 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.840 2.504 -6.745 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.996 0.762 -6.860 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.461 0.433 -9.398 1.00 0.00 H new ATOM 0 HD22 ASN A 31 5.540 -0.414 -8.283 1.00 0.00 H new ATOM 490 N TYR A 32 6.339 1.413 -3.213 1.00 0.00 N ATOM 491 CA TYR A 32 7.080 2.002 -2.066 1.00 0.00 C ATOM 492 C TYR A 32 8.560 1.638 -2.196 1.00 0.00 C ATOM 493 O TYR A 32 9.173 1.141 -1.271 1.00 0.00 O ATOM 494 CB TYR A 32 6.524 1.442 -0.758 1.00 0.00 C ATOM 495 CG TYR A 32 6.644 2.482 0.331 1.00 0.00 C ATOM 496 CD1 TYR A 32 7.908 2.937 0.728 1.00 0.00 C ATOM 497 CD2 TYR A 32 5.493 2.992 0.944 1.00 0.00 C ATOM 498 CE1 TYR A 32 8.019 3.901 1.738 1.00 0.00 C ATOM 499 CE2 TYR A 32 5.605 3.956 1.952 1.00 0.00 C ATOM 500 CZ TYR A 32 6.868 4.411 2.349 1.00 0.00 C ATOM 501 OH TYR A 32 6.978 5.363 3.343 1.00 0.00 O ATOM 0 H TYR A 32 5.947 0.486 -3.048 1.00 0.00 H new ATOM 0 HA TYR A 32 6.966 3.086 -2.066 1.00 0.00 H new ATOM 0 HB2 TYR A 32 5.480 1.156 -0.888 1.00 0.00 H new ATOM 0 HB3 TYR A 32 7.069 0.541 -0.476 1.00 0.00 H new ATOM 0 HD1 TYR A 32 8.796 2.545 0.256 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.518 2.641 0.639 1.00 0.00 H new ATOM 0 HE1 TYR A 32 8.993 4.251 2.045 1.00 0.00 H new ATOM 0 HE2 TYR A 32 4.717 4.349 2.424 1.00 0.00 H new ATOM 0 HH TYR A 32 6.084 5.610 3.659 1.00 0.00 H new ATOM 511 N GLU A 33 9.129 1.880 -3.346 1.00 0.00 N ATOM 512 CA GLU A 33 10.568 1.558 -3.567 1.00 0.00 C ATOM 513 C GLU A 33 10.924 0.229 -2.894 1.00 0.00 C ATOM 514 O GLU A 33 11.956 0.102 -2.265 1.00 0.00 O ATOM 515 CB GLU A 33 11.436 2.674 -2.979 1.00 0.00 C ATOM 516 CG GLU A 33 11.263 3.948 -3.809 1.00 0.00 C ATOM 517 CD GLU A 33 9.930 4.610 -3.456 1.00 0.00 C ATOM 518 OE1 GLU A 33 9.597 4.636 -2.282 1.00 0.00 O ATOM 519 OE2 GLU A 33 9.265 5.080 -4.365 1.00 0.00 O ATOM 0 H GLU A 33 8.654 2.291 -4.149 1.00 0.00 H new ATOM 0 HA GLU A 33 10.751 1.473 -4.638 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.153 2.861 -1.943 1.00 0.00 H new ATOM 0 HB3 GLU A 33 12.483 2.370 -2.974 1.00 0.00 H new ATOM 0 HG2 GLU A 33 12.086 4.636 -3.614 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.292 3.709 -4.872 1.00 0.00 H new ATOM 526 N GLY A 34 10.090 -0.765 -3.026 1.00 0.00 N ATOM 527 CA GLY A 34 10.403 -2.079 -2.395 1.00 0.00 C ATOM 528 C GLY A 34 9.117 -2.749 -1.908 1.00 0.00 C ATOM 529 O GLY A 34 9.014 -3.959 -1.882 1.00 0.00 O ATOM 0 H GLY A 34 9.210 -0.726 -3.540 1.00 0.00 H new ATOM 0 HA2 GLY A 34 10.909 -2.724 -3.113 1.00 0.00 H new ATOM 0 HA3 GLY A 34 11.087 -1.936 -1.558 1.00 0.00 H new ATOM 533 N CYS A 35 8.137 -1.981 -1.516 1.00 0.00 N ATOM 534 CA CYS A 35 6.867 -2.597 -1.028 1.00 0.00 C ATOM 535 C CYS A 35 5.676 -1.978 -1.761 1.00 0.00 C ATOM 536 O CYS A 35 5.315 -0.841 -1.536 1.00 0.00 O ATOM 537 CB CYS A 35 6.733 -2.351 0.477 1.00 0.00 C ATOM 538 SG CYS A 35 5.056 -2.758 1.037 1.00 0.00 S ATOM 0 H CYS A 35 8.158 -0.961 -1.512 1.00 0.00 H new ATOM 0 HA CYS A 35 6.884 -3.669 -1.222 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.461 -2.957 1.017 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.956 -1.308 0.703 1.00 0.00 H new ATOM 543 N LEU A 36 5.064 -2.723 -2.640 1.00 0.00 N ATOM 544 CA LEU A 36 3.897 -2.183 -3.388 1.00 0.00 C ATOM 545 C LEU A 36 2.653 -2.222 -2.512 1.00 0.00 C ATOM 546 O LEU A 36 2.371 -3.214 -1.862 1.00 0.00 O ATOM 547 CB LEU A 36 3.634 -3.035 -4.626 1.00 0.00 C ATOM 548 CG LEU A 36 2.484 -2.419 -5.419 1.00 0.00 C ATOM 549 CD1 LEU A 36 2.981 -1.164 -6.137 1.00 0.00 C ATOM 550 CD2 LEU A 36 1.976 -3.431 -6.443 1.00 0.00 C ATOM 0 H LEU A 36 5.323 -3.682 -2.872 1.00 0.00 H new ATOM 0 HA LEU A 36 4.120 -1.156 -3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.531 -3.089 -5.243 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.386 -4.056 -4.335 1.00 0.00 H new ATOM 0 HG LEU A 36 1.672 -2.152 -4.743 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.162 -0.721 -6.704 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.344 -0.445 -5.403 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.791 -1.430 -6.816 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.155 -2.993 -7.011 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.785 -3.698 -7.123 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.625 -4.325 -5.928 1.00 0.00 H new ATOM 562 N TRP A 37 1.891 -1.160 -2.519 1.00 0.00 N ATOM 563 CA TRP A 37 0.640 -1.127 -1.719 1.00 0.00 C ATOM 564 C TRP A 37 -0.548 -1.235 -2.679 1.00 0.00 C ATOM 565 O TRP A 37 -0.378 -1.231 -3.884 1.00 0.00 O ATOM 566 CB TRP A 37 0.554 0.179 -0.925 1.00 0.00 C ATOM 567 CG TRP A 37 1.748 0.316 -0.037 1.00 0.00 C ATOM 568 CD1 TRP A 37 3.038 0.286 -0.442 1.00 0.00 C ATOM 569 CD2 TRP A 37 1.778 0.507 1.409 1.00 0.00 C ATOM 570 NE1 TRP A 37 3.856 0.442 0.664 1.00 0.00 N ATOM 571 CE2 TRP A 37 3.125 0.584 1.825 1.00 0.00 C ATOM 572 CE3 TRP A 37 0.773 0.619 2.387 1.00 0.00 C ATOM 573 CZ2 TRP A 37 3.466 0.766 3.165 1.00 0.00 C ATOM 574 CZ3 TRP A 37 1.111 0.799 3.735 1.00 0.00 C ATOM 575 CH2 TRP A 37 2.455 0.873 4.125 1.00 0.00 C ATOM 0 H TRP A 37 2.086 -0.311 -3.049 1.00 0.00 H new ATOM 0 HA TRP A 37 0.629 -1.957 -1.013 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.499 1.027 -1.608 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.357 0.192 -0.327 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.375 0.161 -1.461 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.875 0.451 0.625 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.266 0.566 2.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 4.504 0.824 3.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.331 0.881 4.478 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.709 1.012 5.165 1.00 0.00 H new ATOM 586 N ASN A 38 -1.746 -1.338 -2.170 1.00 0.00 N ATOM 587 CA ASN A 38 -2.926 -1.459 -3.074 1.00 0.00 C ATOM 588 C ASN A 38 -4.084 -0.616 -2.539 1.00 0.00 C ATOM 589 O ASN A 38 -4.571 -0.832 -1.446 1.00 0.00 O ATOM 590 CB ASN A 38 -3.357 -2.930 -3.153 1.00 0.00 C ATOM 591 CG ASN A 38 -4.761 -3.027 -3.754 1.00 0.00 C ATOM 592 OD1 ASN A 38 -4.917 -3.381 -4.904 1.00 0.00 O ATOM 593 ND2 ASN A 38 -5.795 -2.733 -3.016 1.00 0.00 N ATOM 0 H ASN A 38 -1.958 -1.344 -1.172 1.00 0.00 H new ATOM 0 HA ASN A 38 -2.655 -1.101 -4.067 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -2.651 -3.493 -3.763 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -3.346 -3.376 -2.158 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.735 -2.801 -3.405 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.664 -2.435 -2.049 1.00 0.00 H new ATOM 600 N ALA A 39 -4.535 0.332 -3.315 1.00 0.00 N ATOM 601 CA ALA A 39 -5.668 1.190 -2.872 1.00 0.00 C ATOM 602 C ALA A 39 -6.972 0.637 -3.445 1.00 0.00 C ATOM 603 O ALA A 39 -7.024 0.165 -4.571 1.00 0.00 O ATOM 604 CB ALA A 39 -5.456 2.620 -3.370 1.00 0.00 C ATOM 0 H ALA A 39 -4.165 0.549 -4.240 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.718 1.193 -1.783 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.287 3.246 -3.044 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.524 3.013 -2.963 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -5.405 2.622 -4.459 1.00 0.00 H new ATOM 610 N THR A 40 -8.025 0.687 -2.673 1.00 0.00 N ATOM 611 CA THR A 40 -9.333 0.163 -3.151 1.00 0.00 C ATOM 612 C THR A 40 -10.463 1.079 -2.666 1.00 0.00 C ATOM 613 O THR A 40 -11.392 1.370 -3.392 1.00 0.00 O ATOM 614 CB THR A 40 -9.544 -1.244 -2.590 1.00 0.00 C ATOM 615 OG1 THR A 40 -10.902 -1.625 -2.769 1.00 0.00 O ATOM 616 CG2 THR A 40 -9.196 -1.261 -1.098 1.00 0.00 C ATOM 0 H THR A 40 -8.033 1.070 -1.728 1.00 0.00 H new ATOM 0 HA THR A 40 -9.338 0.131 -4.241 1.00 0.00 H new ATOM 0 HB THR A 40 -8.898 -1.946 -3.117 1.00 0.00 H new ATOM 0 HG1 THR A 40 -11.039 -2.527 -2.411 1.00 0.00 H new ATOM 0 HG21 THR A 40 -9.347 -2.265 -0.701 1.00 0.00 H new ATOM 0 HG22 THR A 40 -8.154 -0.971 -0.964 1.00 0.00 H new ATOM 0 HG23 THR A 40 -9.839 -0.560 -0.566 1.00 0.00 H new ATOM 624 N GLY A 41 -10.391 1.529 -1.443 1.00 0.00 N ATOM 625 CA GLY A 41 -11.463 2.421 -0.911 1.00 0.00 C ATOM 626 C GLY A 41 -11.203 3.864 -1.343 1.00 0.00 C ATOM 627 O GLY A 41 -10.222 4.161 -1.997 1.00 0.00 O ATOM 0 H GLY A 41 -9.637 1.318 -0.789 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -12.436 2.093 -1.277 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.494 2.358 0.177 1.00 0.00 H new ATOM 631 N VAL A 42 -12.078 4.764 -0.983 1.00 0.00 N ATOM 632 CA VAL A 42 -11.887 6.191 -1.371 1.00 0.00 C ATOM 633 C VAL A 42 -10.461 6.627 -1.020 1.00 0.00 C ATOM 634 O VAL A 42 -10.025 6.506 0.107 1.00 0.00 O ATOM 635 CB VAL A 42 -12.897 7.064 -0.618 1.00 0.00 C ATOM 636 CG1 VAL A 42 -12.472 8.534 -0.691 1.00 0.00 C ATOM 637 CG2 VAL A 42 -14.278 6.905 -1.257 1.00 0.00 C ATOM 0 H VAL A 42 -12.918 4.572 -0.436 1.00 0.00 H new ATOM 0 HA VAL A 42 -12.044 6.303 -2.444 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.934 6.752 0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.194 9.149 -0.154 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.488 8.651 -0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.431 8.850 -1.734 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -14.999 7.525 -0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -14.234 7.216 -2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.586 5.861 -1.202 1.00 0.00 H new ATOM 647 N VAL A 43 -9.735 7.133 -1.978 1.00 0.00 N ATOM 648 CA VAL A 43 -8.341 7.577 -1.701 1.00 0.00 C ATOM 649 C VAL A 43 -8.167 9.019 -2.187 1.00 0.00 C ATOM 650 O VAL A 43 -8.279 9.307 -3.361 1.00 0.00 O ATOM 651 CB VAL A 43 -7.356 6.661 -2.434 1.00 0.00 C ATOM 652 CG1 VAL A 43 -6.047 6.589 -1.646 1.00 0.00 C ATOM 653 CG2 VAL A 43 -7.953 5.256 -2.553 1.00 0.00 C ATOM 0 H VAL A 43 -10.047 7.258 -2.941 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.145 7.528 -0.630 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.163 7.060 -3.430 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.345 5.938 -2.166 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.619 7.588 -1.559 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.243 6.190 -0.651 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.251 4.605 -3.075 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.146 4.857 -1.557 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.888 5.304 -3.112 1.00 0.00 H new ATOM 663 N VAL A 44 -7.902 9.927 -1.288 1.00 0.00 N ATOM 664 CA VAL A 44 -7.729 11.353 -1.687 1.00 0.00 C ATOM 665 C VAL A 44 -6.618 11.476 -2.735 1.00 0.00 C ATOM 666 O VAL A 44 -5.454 11.587 -2.404 1.00 0.00 O ATOM 667 CB VAL A 44 -7.355 12.177 -0.455 1.00 0.00 C ATOM 668 CG1 VAL A 44 -6.891 13.568 -0.891 1.00 0.00 C ATOM 669 CG2 VAL A 44 -8.574 12.309 0.461 1.00 0.00 C ATOM 0 H VAL A 44 -7.797 9.742 -0.290 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.662 11.722 -2.113 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.549 11.678 0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.625 14.155 -0.012 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.022 13.474 -1.542 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.696 14.068 -1.430 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.307 12.897 1.339 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.381 12.806 -0.077 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.903 11.318 0.774 1.00 0.00 H new ATOM 679 N CYS A 45 -6.962 11.465 -3.998 1.00 0.00 N ATOM 680 CA CYS A 45 -5.914 11.591 -5.052 1.00 0.00 C ATOM 681 C CYS A 45 -5.894 13.027 -5.579 1.00 0.00 C ATOM 682 O CYS A 45 -6.919 13.590 -5.913 1.00 0.00 O ATOM 683 CB CYS A 45 -6.216 10.638 -6.211 1.00 0.00 C ATOM 684 SG CYS A 45 -6.472 8.958 -5.581 1.00 0.00 S ATOM 0 H CYS A 45 -7.918 11.375 -4.342 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.946 11.338 -4.620 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.104 10.974 -6.747 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.391 10.646 -6.924 1.00 0.00 H new ATOM 689 N THR A 46 -4.738 13.623 -5.659 1.00 0.00 N ATOM 690 CA THR A 46 -4.652 15.019 -6.167 1.00 0.00 C ATOM 691 C THR A 46 -3.625 15.085 -7.299 1.00 0.00 C ATOM 692 O THR A 46 -2.820 14.186 -7.481 1.00 0.00 O ATOM 693 CB THR A 46 -4.222 15.948 -5.030 1.00 0.00 C ATOM 694 OG1 THR A 46 -3.888 17.222 -5.561 1.00 0.00 O ATOM 695 CG2 THR A 46 -3.007 15.353 -4.317 1.00 0.00 C ATOM 0 H THR A 46 -3.847 13.202 -5.394 1.00 0.00 H new ATOM 0 HA THR A 46 -5.626 15.332 -6.542 1.00 0.00 H new ATOM 0 HB THR A 46 -5.041 16.056 -4.318 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.614 17.818 -4.833 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.700 16.015 -3.507 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.267 14.376 -3.909 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.187 15.243 -5.026 1.00 0.00 H new ATOM 703 N GLY A 47 -3.648 16.145 -8.061 1.00 0.00 N ATOM 704 CA GLY A 47 -2.678 16.282 -9.182 1.00 0.00 C ATOM 705 C GLY A 47 -2.905 15.167 -10.199 1.00 0.00 C ATOM 706 O GLY A 47 -2.150 14.222 -10.264 1.00 0.00 O ATOM 0 H GLY A 47 -4.299 16.923 -7.954 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.796 17.254 -9.661 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.658 16.237 -8.800 1.00 0.00 H new ATOM 710 N ASP A 48 -3.938 15.263 -10.993 1.00 0.00 N ATOM 711 CA ASP A 48 -4.202 14.193 -11.998 1.00 0.00 C ATOM 712 C ASP A 48 -4.458 12.878 -11.268 1.00 0.00 C ATOM 713 O ASP A 48 -4.448 11.815 -11.858 1.00 0.00 O ATOM 714 CB ASP A 48 -2.980 14.028 -12.900 1.00 0.00 C ATOM 715 CG ASP A 48 -3.106 14.947 -14.115 1.00 0.00 C ATOM 716 OD1 ASP A 48 -4.019 14.740 -14.897 1.00 0.00 O ATOM 717 OD2 ASP A 48 -2.287 15.842 -14.243 1.00 0.00 O ATOM 0 H ASP A 48 -4.608 16.032 -10.989 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.069 14.464 -12.600 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.072 14.266 -12.345 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.893 12.991 -13.224 1.00 0.00 H new ATOM 722 N GLU A 49 -4.669 12.943 -9.984 1.00 0.00 N ATOM 723 CA GLU A 49 -4.911 11.707 -9.195 1.00 0.00 C ATOM 724 C GLU A 49 -3.643 10.844 -9.178 1.00 0.00 C ATOM 725 O GLU A 49 -3.637 9.752 -8.645 1.00 0.00 O ATOM 726 CB GLU A 49 -6.067 10.913 -9.811 1.00 0.00 C ATOM 727 CG GLU A 49 -7.381 11.311 -9.134 1.00 0.00 C ATOM 728 CD GLU A 49 -8.436 11.613 -10.202 1.00 0.00 C ATOM 729 OE1 GLU A 49 -8.957 10.671 -10.775 1.00 0.00 O ATOM 730 OE2 GLU A 49 -8.705 12.782 -10.427 1.00 0.00 O ATOM 0 H GLU A 49 -4.684 13.808 -9.444 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.171 11.983 -8.173 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.125 11.107 -10.882 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.893 9.844 -9.689 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.726 10.506 -8.485 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.227 12.186 -8.503 1.00 0.00 H new ATOM 737 N THR A 50 -2.565 11.324 -9.742 1.00 0.00 N ATOM 738 CA THR A 50 -1.310 10.525 -9.732 1.00 0.00 C ATOM 739 C THR A 50 -0.845 10.384 -8.288 1.00 0.00 C ATOM 740 O THR A 50 -0.325 9.365 -7.891 1.00 0.00 O ATOM 741 CB THR A 50 -0.228 11.232 -10.554 1.00 0.00 C ATOM 742 OG1 THR A 50 -0.508 12.623 -10.613 1.00 0.00 O ATOM 743 CG2 THR A 50 -0.201 10.654 -11.969 1.00 0.00 C ATOM 0 H THR A 50 -2.502 12.230 -10.206 1.00 0.00 H new ATOM 0 HA THR A 50 -1.492 9.544 -10.170 1.00 0.00 H new ATOM 0 HB THR A 50 0.743 11.079 -10.082 1.00 0.00 H new ATOM 0 HG1 THR A 50 -0.410 13.015 -9.720 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.569 11.158 -12.553 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.019 9.587 -11.922 1.00 0.00 H new ATOM 0 HG23 THR A 50 -1.171 10.804 -12.442 1.00 0.00 H new ATOM 751 N GLN A 51 -1.060 11.390 -7.486 1.00 0.00 N ATOM 752 CA GLN A 51 -0.659 11.291 -6.064 1.00 0.00 C ATOM 753 C GLN A 51 -1.908 10.960 -5.268 1.00 0.00 C ATOM 754 O GLN A 51 -3.001 11.321 -5.657 1.00 0.00 O ATOM 755 CB GLN A 51 -0.078 12.624 -5.587 1.00 0.00 C ATOM 756 CG GLN A 51 0.737 13.261 -6.714 1.00 0.00 C ATOM 757 CD GLN A 51 -0.070 14.396 -7.348 1.00 0.00 C ATOM 758 OE1 GLN A 51 -0.253 14.429 -8.549 1.00 0.00 O ATOM 759 NE2 GLN A 51 -0.565 15.333 -6.586 1.00 0.00 N ATOM 0 H GLN A 51 -1.495 12.272 -7.757 1.00 0.00 H new ATOM 0 HA GLN A 51 0.103 10.523 -5.932 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.882 13.294 -5.282 1.00 0.00 H new ATOM 0 HB3 GLN A 51 0.553 12.465 -4.713 1.00 0.00 H new ATOM 0 HG2 GLN A 51 1.680 13.645 -6.324 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.985 12.512 -7.466 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.411 15.305 -5.578 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.106 16.093 -6.998 1.00 0.00 H new ATOM 768 N CYS A 52 -1.794 10.268 -4.177 1.00 0.00 N ATOM 769 CA CYS A 52 -3.035 9.949 -3.435 1.00 0.00 C ATOM 770 C CYS A 52 -2.732 9.491 -2.006 1.00 0.00 C ATOM 771 O CYS A 52 -1.616 9.145 -1.668 1.00 0.00 O ATOM 772 CB CYS A 52 -3.785 8.845 -4.183 1.00 0.00 C ATOM 773 SG CYS A 52 -5.547 8.928 -3.784 1.00 0.00 S ATOM 0 H CYS A 52 -0.924 9.918 -3.776 1.00 0.00 H new ATOM 0 HA CYS A 52 -3.646 10.850 -3.372 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -3.640 8.957 -5.257 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.385 7.869 -3.907 1.00 0.00 H new ATOM 778 N TYR A 53 -3.736 9.484 -1.170 1.00 0.00 N ATOM 779 CA TYR A 53 -3.547 9.048 0.241 1.00 0.00 C ATOM 780 C TYR A 53 -4.809 8.308 0.701 1.00 0.00 C ATOM 781 O TYR A 53 -5.892 8.532 0.192 1.00 0.00 O ATOM 782 CB TYR A 53 -3.283 10.282 1.128 1.00 0.00 C ATOM 783 CG TYR A 53 -3.871 10.089 2.513 1.00 0.00 C ATOM 784 CD1 TYR A 53 -3.252 9.229 3.429 1.00 0.00 C ATOM 785 CD2 TYR A 53 -5.042 10.768 2.873 1.00 0.00 C ATOM 786 CE1 TYR A 53 -3.803 9.048 4.704 1.00 0.00 C ATOM 787 CE2 TYR A 53 -5.593 10.586 4.147 1.00 0.00 C ATOM 788 CZ TYR A 53 -4.974 9.727 5.061 1.00 0.00 C ATOM 789 OH TYR A 53 -5.518 9.550 6.317 1.00 0.00 O ATOM 0 H TYR A 53 -4.687 9.765 -1.408 1.00 0.00 H new ATOM 0 HA TYR A 53 -2.691 8.377 0.321 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.210 10.456 1.205 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.717 11.168 0.664 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.349 8.705 3.152 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.520 11.432 2.168 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.325 8.386 5.411 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.496 11.109 4.424 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.328 10.095 6.402 1.00 0.00 H new ATOM 799 N GLY A 54 -4.679 7.430 1.657 1.00 0.00 N ATOM 800 CA GLY A 54 -5.869 6.679 2.145 1.00 0.00 C ATOM 801 C GLY A 54 -5.439 5.276 2.566 1.00 0.00 C ATOM 802 O GLY A 54 -4.565 5.105 3.391 1.00 0.00 O ATOM 0 H GLY A 54 -3.800 7.200 2.121 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.323 7.201 2.987 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.624 6.621 1.361 1.00 0.00 H new ATOM 806 N THR A 55 -6.039 4.266 2.003 1.00 0.00 N ATOM 807 CA THR A 55 -5.653 2.878 2.375 1.00 0.00 C ATOM 808 C THR A 55 -5.019 2.188 1.170 1.00 0.00 C ATOM 809 O THR A 55 -5.556 2.173 0.080 1.00 0.00 O ATOM 810 CB THR A 55 -6.890 2.093 2.828 1.00 0.00 C ATOM 811 OG1 THR A 55 -7.981 2.398 1.971 1.00 0.00 O ATOM 812 CG2 THR A 55 -7.245 2.474 4.265 1.00 0.00 C ATOM 0 H THR A 55 -6.778 4.341 1.304 1.00 0.00 H new ATOM 0 HA THR A 55 -4.936 2.912 3.195 1.00 0.00 H new ATOM 0 HB THR A 55 -6.678 1.025 2.783 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.685 2.357 1.038 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.124 1.914 4.583 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.407 2.238 4.921 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.457 3.542 4.317 1.00 0.00 H new ATOM 820 N TRP A 56 -3.877 1.611 1.381 1.00 0.00 N ATOM 821 CA TRP A 56 -3.162 0.898 0.300 1.00 0.00 C ATOM 822 C TRP A 56 -2.692 -0.468 0.815 1.00 0.00 C ATOM 823 O TRP A 56 -1.524 -0.671 1.059 1.00 0.00 O ATOM 824 CB TRP A 56 -1.942 1.711 -0.046 1.00 0.00 C ATOM 825 CG TRP A 56 -2.340 3.117 -0.307 1.00 0.00 C ATOM 826 CD1 TRP A 56 -2.643 4.037 0.635 1.00 0.00 C ATOM 827 CD2 TRP A 56 -2.484 3.770 -1.588 1.00 0.00 C ATOM 828 NE1 TRP A 56 -2.966 5.223 0.005 1.00 0.00 N ATOM 829 CE2 TRP A 56 -2.881 5.108 -1.374 1.00 0.00 C ATOM 830 CE3 TRP A 56 -2.308 3.326 -2.907 1.00 0.00 C ATOM 831 CZ2 TRP A 56 -3.097 5.980 -2.442 1.00 0.00 C ATOM 832 CZ3 TRP A 56 -2.523 4.193 -3.982 1.00 0.00 C ATOM 833 CH2 TRP A 56 -2.918 5.521 -3.753 1.00 0.00 C ATOM 0 H TRP A 56 -3.398 1.604 2.281 1.00 0.00 H new ATOM 0 HA TRP A 56 -3.814 0.763 -0.563 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -1.222 1.672 0.772 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -1.450 1.292 -0.924 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -2.634 3.873 1.702 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -3.234 6.077 0.494 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -2.004 2.307 -3.093 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.400 7.000 -2.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -2.385 3.840 -4.993 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -3.084 6.187 -4.587 1.00 0.00 H new ATOM 844 N VAL A 57 -3.572 -1.395 1.030 1.00 0.00 N ATOM 845 CA VAL A 57 -3.118 -2.710 1.574 1.00 0.00 C ATOM 846 C VAL A 57 -1.872 -3.190 0.802 1.00 0.00 C ATOM 847 O VAL A 57 -1.885 -3.240 -0.411 1.00 0.00 O ATOM 848 CB VAL A 57 -4.266 -3.724 1.450 1.00 0.00 C ATOM 849 CG1 VAL A 57 -5.086 -3.417 0.198 1.00 0.00 C ATOM 850 CG2 VAL A 57 -3.711 -5.150 1.364 1.00 0.00 C ATOM 0 H VAL A 57 -4.574 -1.309 0.858 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.848 -2.609 2.625 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.901 -3.647 2.332 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.900 -4.137 0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.498 -2.410 0.271 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -4.446 -3.485 -0.682 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.536 -5.857 1.277 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.065 -5.237 0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.137 -5.372 2.264 1.00 0.00 H new ATOM 860 N PRO A 58 -0.831 -3.538 1.535 1.00 0.00 N ATOM 861 CA PRO A 58 0.431 -4.020 0.936 1.00 0.00 C ATOM 862 C PRO A 58 0.226 -5.399 0.306 1.00 0.00 C ATOM 863 O PRO A 58 -0.387 -6.274 0.885 1.00 0.00 O ATOM 864 CB PRO A 58 1.418 -4.036 2.117 1.00 0.00 C ATOM 865 CG PRO A 58 0.564 -4.058 3.404 1.00 0.00 C ATOM 866 CD PRO A 58 -0.825 -3.509 3.014 1.00 0.00 C ATOM 0 HA PRO A 58 0.801 -3.395 0.124 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.067 -4.910 2.068 1.00 0.00 H new ATOM 0 HB3 PRO A 58 2.063 -3.158 2.095 1.00 0.00 H new ATOM 0 HG2 PRO A 58 0.484 -5.070 3.800 1.00 0.00 H new ATOM 0 HG3 PRO A 58 1.019 -3.446 4.183 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.625 -4.124 3.427 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -0.973 -2.497 3.392 1.00 0.00 H new ATOM 874 N ILE A 59 0.707 -5.586 -0.896 1.00 0.00 N ATOM 875 CA ILE A 59 0.511 -6.894 -1.582 1.00 0.00 C ATOM 876 C ILE A 59 1.802 -7.368 -2.246 1.00 0.00 C ATOM 877 O ILE A 59 2.003 -8.551 -2.431 1.00 0.00 O ATOM 878 CB ILE A 59 -0.555 -6.749 -2.673 1.00 0.00 C ATOM 879 CG1 ILE A 59 -0.143 -5.645 -3.657 1.00 0.00 C ATOM 880 CG2 ILE A 59 -1.904 -6.405 -2.040 1.00 0.00 C ATOM 881 CD1 ILE A 59 -0.315 -4.265 -3.017 1.00 0.00 C ATOM 0 H ILE A 59 1.226 -4.889 -1.430 1.00 0.00 H new ATOM 0 HA ILE A 59 0.203 -7.620 -0.830 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.646 -7.692 -3.212 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.895 -5.786 -3.957 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.748 -5.711 -4.561 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.657 -6.303 -2.821 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.197 -7.200 -1.354 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.820 -5.466 -1.493 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.018 -3.494 -3.729 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.359 -4.120 -2.740 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.310 -4.196 -2.127 1.00 0.00 H new ATOM 893 N GLY A 60 2.670 -6.479 -2.646 1.00 0.00 N ATOM 894 CA GLY A 60 3.903 -6.958 -3.329 1.00 0.00 C ATOM 895 C GLY A 60 5.105 -6.084 -2.993 1.00 0.00 C ATOM 896 O GLY A 60 5.201 -5.517 -1.926 1.00 0.00 O ATOM 0 H GLY A 60 2.583 -5.469 -2.534 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.107 -7.987 -3.034 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.745 -6.961 -4.407 1.00 0.00 H new ATOM 900 N LEU A 61 6.034 -5.990 -3.903 1.00 0.00 N ATOM 901 CA LEU A 61 7.247 -5.172 -3.649 1.00 0.00 C ATOM 902 C LEU A 61 7.176 -3.868 -4.451 1.00 0.00 C ATOM 903 O LEU A 61 7.713 -2.858 -4.045 1.00 0.00 O ATOM 904 CB LEU A 61 8.488 -5.966 -4.064 1.00 0.00 C ATOM 905 CG LEU A 61 8.312 -7.433 -3.660 1.00 0.00 C ATOM 906 CD1 LEU A 61 9.550 -8.230 -4.069 1.00 0.00 C ATOM 907 CD2 LEU A 61 8.126 -7.526 -2.144 1.00 0.00 C ATOM 0 H LEU A 61 6.003 -6.447 -4.814 1.00 0.00 H new ATOM 0 HA LEU A 61 7.305 -4.931 -2.587 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.639 -5.889 -5.141 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.376 -5.550 -3.587 1.00 0.00 H new ATOM 0 HG LEU A 61 7.435 -7.843 -4.161 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.423 -9.273 -3.781 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.684 -8.166 -5.149 1.00 0.00 H new ATOM 0 HD13 LEU A 61 10.428 -7.820 -3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 61 8.001 -8.570 -1.856 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.003 -7.114 -1.644 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.242 -6.960 -1.851 1.00 0.00 H new ATOM 919 N ALA A 62 6.522 -3.866 -5.584 1.00 0.00 N ATOM 920 CA ALA A 62 6.446 -2.597 -6.365 1.00 0.00 C ATOM 921 C ALA A 62 5.800 -2.825 -7.743 1.00 0.00 C ATOM 922 O ALA A 62 6.333 -2.387 -8.741 1.00 0.00 O ATOM 923 CB ALA A 62 7.862 -2.048 -6.556 1.00 0.00 C ATOM 0 H ALA A 62 6.047 -4.670 -5.995 1.00 0.00 H new ATOM 0 HA ALA A 62 5.829 -1.887 -5.814 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.819 -1.120 -7.126 1.00 0.00 H new ATOM 0 HB2 ALA A 62 8.312 -1.855 -5.582 1.00 0.00 H new ATOM 0 HB3 ALA A 62 8.465 -2.778 -7.096 1.00 0.00 H new ATOM 929 N ILE A 63 4.645 -3.463 -7.805 1.00 0.00 N ATOM 930 CA ILE A 63 3.962 -3.674 -9.133 1.00 0.00 C ATOM 931 C ILE A 63 2.944 -4.843 -9.101 1.00 0.00 C ATOM 932 O ILE A 63 1.894 -4.727 -9.703 1.00 0.00 O ATOM 933 CB ILE A 63 5.009 -3.905 -10.251 1.00 0.00 C ATOM 934 CG1 ILE A 63 5.079 -2.646 -11.129 1.00 0.00 C ATOM 935 CG2 ILE A 63 4.634 -5.105 -11.137 1.00 0.00 C ATOM 936 CD1 ILE A 63 3.674 -2.280 -11.628 1.00 0.00 C ATOM 0 H ILE A 63 4.149 -3.844 -6.999 1.00 0.00 H new ATOM 0 HA ILE A 63 3.400 -2.765 -9.347 1.00 0.00 H new ATOM 0 HB ILE A 63 5.971 -4.112 -9.782 1.00 0.00 H new ATOM 0 HG12 ILE A 63 5.500 -1.817 -10.559 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.742 -2.819 -11.977 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.391 -5.237 -11.910 1.00 0.00 H new ATOM 0 HG22 ILE A 63 4.579 -6.006 -10.526 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.666 -4.924 -11.604 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.730 -1.387 -12.250 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.270 -3.105 -12.214 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.023 -2.088 -10.775 1.00 0.00 H new ATOM 948 N PRO A 64 3.268 -5.942 -8.453 1.00 0.00 N ATOM 949 CA PRO A 64 2.363 -7.110 -8.422 1.00 0.00 C ATOM 950 C PRO A 64 1.093 -6.849 -7.608 1.00 0.00 C ATOM 951 O PRO A 64 1.062 -6.043 -6.703 1.00 0.00 O ATOM 952 CB PRO A 64 3.220 -8.230 -7.828 1.00 0.00 C ATOM 953 CG PRO A 64 4.390 -7.546 -7.090 1.00 0.00 C ATOM 954 CD PRO A 64 4.520 -6.130 -7.686 1.00 0.00 C ATOM 0 HA PRO A 64 1.985 -7.362 -9.413 1.00 0.00 H new ATOM 0 HB2 PRO A 64 2.635 -8.843 -7.142 1.00 0.00 H new ATOM 0 HB3 PRO A 64 3.590 -8.892 -8.611 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.197 -7.499 -6.018 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.314 -8.109 -7.223 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.625 -5.377 -6.905 1.00 0.00 H new ATOM 0 HD3 PRO A 64 5.397 -6.047 -8.328 1.00 0.00 H new ATOM 962 N GLU A 65 0.031 -7.524 -7.965 1.00 0.00 N ATOM 963 CA GLU A 65 -1.274 -7.332 -7.270 1.00 0.00 C ATOM 964 C GLU A 65 -1.319 -8.136 -5.966 1.00 0.00 C ATOM 965 O GLU A 65 -0.305 -8.471 -5.387 1.00 0.00 O ATOM 966 CB GLU A 65 -2.403 -7.804 -8.196 1.00 0.00 C ATOM 967 CG GLU A 65 -2.461 -9.336 -8.204 1.00 0.00 C ATOM 968 CD GLU A 65 -2.558 -9.838 -9.645 1.00 0.00 C ATOM 969 OE1 GLU A 65 -1.849 -9.310 -10.485 1.00 0.00 O ATOM 970 OE2 GLU A 65 -3.340 -10.744 -9.885 1.00 0.00 O ATOM 0 H GLU A 65 0.014 -8.210 -8.720 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.395 -6.276 -7.030 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.356 -7.397 -7.859 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.236 -7.432 -9.207 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.572 -9.746 -7.724 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.321 -9.680 -7.630 1.00 0.00 H new