USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 781 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 62 ASN : amide:sc= -4.95! C(o=-3.6!,f=-3.5!) USER MOD Set 1.2: A 84 THR OG1 : rot 41:sc= 1.32 USER MOD Set 2.1: A 44 SER OG : rot 175:sc= 1.47 USER MOD Set 2.2: A 90 LYS NZ :NH3+ -141:sc= 2.63 (180deg=-0.163) USER MOD Single : A 1 ALA N :NH3+ 142:sc= 2.06 (180deg=0.307) USER MOD Single : A 4 SER OG : rot 180:sc= 0.0284 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 81:sc= 0.945 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -1.15 X(o=-1.2,f=-0.89) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.871! C(o=0.87!,f=-5.9!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 56 ASN : amide:sc= -0.16 X(o=-0.16,f=-0.015) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.5 X(o=-1.5,f=-1.7) USER MOD Single : A 74 THR OG1 : rot 161:sc= 0.614 USER MOD Single : A 77 HIS : no HD1:sc= -2.78 K(o=-2.8,f=-3.9!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot -110:sc= -0.207 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 14.729 -11.612 -5.882 1.00 0.00 N ATOM 2 CA ALA A 1 14.381 -12.932 -5.352 1.00 0.00 C ATOM 3 C ALA A 1 14.652 -12.998 -3.861 1.00 0.00 C ATOM 4 O ALA A 1 15.809 -13.130 -3.484 1.00 0.00 O ATOM 5 CB ALA A 1 15.131 -14.051 -6.087 1.00 0.00 C ATOM 0 H1 ALA A 1 15.156 -11.718 -6.824 1.00 0.00 H new ATOM 0 H2 ALA A 1 13.870 -11.030 -5.954 1.00 0.00 H new ATOM 0 H3 ALA A 1 15.408 -11.150 -5.244 1.00 0.00 H new ATOM 0 HA ALA A 1 13.315 -13.084 -5.519 1.00 0.00 H new ATOM 0 HB1 ALA A 1 14.848 -15.016 -5.667 1.00 0.00 H new ATOM 0 HB2 ALA A 1 14.874 -14.027 -7.146 1.00 0.00 H new ATOM 0 HB3 ALA A 1 16.205 -13.906 -5.971 1.00 0.00 H new ATOM 13 N LEU A 2 13.594 -12.952 -3.040 1.00 0.00 N ATOM 14 CA LEU A 2 13.427 -13.280 -1.611 1.00 0.00 C ATOM 15 C LEU A 2 14.496 -12.920 -0.561 1.00 0.00 C ATOM 16 O LEU A 2 14.203 -13.067 0.630 1.00 0.00 O ATOM 17 CB LEU A 2 12.974 -14.749 -1.478 1.00 0.00 C ATOM 18 CG LEU A 2 11.437 -14.859 -1.494 1.00 0.00 C ATOM 19 CD1 LEU A 2 10.992 -16.282 -1.821 1.00 0.00 C ATOM 20 CD2 LEU A 2 10.839 -14.448 -0.141 1.00 0.00 C ATOM 0 H LEU A 2 12.701 -12.637 -3.419 1.00 0.00 H new ATOM 0 HA LEU A 2 12.673 -12.551 -1.316 1.00 0.00 H new ATOM 0 HB2 LEU A 2 13.392 -15.337 -2.295 1.00 0.00 H new ATOM 0 HB3 LEU A 2 13.362 -15.170 -0.551 1.00 0.00 H new ATOM 0 HG LEU A 2 11.076 -14.182 -2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 2 9.903 -16.331 -1.826 1.00 0.00 H new ATOM 0 HD12 LEU A 2 11.372 -16.566 -2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 2 11.383 -16.967 -1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 2 9.753 -14.535 -0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 2 11.227 -15.100 0.641 1.00 0.00 H new ATOM 0 HD23 LEU A 2 11.112 -13.416 0.079 1.00 0.00 H new ATOM 32 N PHE A 3 15.664 -12.398 -0.921 1.00 0.00 N ATOM 33 CA PHE A 3 16.669 -11.823 -0.029 1.00 0.00 C ATOM 34 C PHE A 3 17.120 -10.447 -0.539 1.00 0.00 C ATOM 35 O PHE A 3 17.572 -9.627 0.259 1.00 0.00 O ATOM 36 CB PHE A 3 17.874 -12.775 0.116 1.00 0.00 C ATOM 37 CG PHE A 3 18.860 -12.702 -1.037 1.00 0.00 C ATOM 38 CD1 PHE A 3 18.594 -13.378 -2.241 1.00 0.00 C ATOM 39 CD2 PHE A 3 19.995 -11.874 -0.944 1.00 0.00 C ATOM 40 CE1 PHE A 3 19.409 -13.167 -3.366 1.00 0.00 C ATOM 41 CE2 PHE A 3 20.829 -11.688 -2.060 1.00 0.00 C ATOM 42 CZ PHE A 3 20.525 -12.319 -3.277 1.00 0.00 C ATOM 0 H PHE A 3 15.953 -12.362 -1.899 1.00 0.00 H new ATOM 0 HA PHE A 3 16.220 -11.690 0.955 1.00 0.00 H new ATOM 0 HB2 PHE A 3 18.397 -12.544 1.044 1.00 0.00 H new ATOM 0 HB3 PHE A 3 17.508 -13.798 0.203 1.00 0.00 H new ATOM 0 HD1 PHE A 3 17.760 -14.062 -2.301 1.00 0.00 H new ATOM 0 HD2 PHE A 3 20.226 -11.380 -0.012 1.00 0.00 H new ATOM 0 HE1 PHE A 3 19.177 -13.657 -4.300 1.00 0.00 H new ATOM 0 HE2 PHE A 3 21.704 -11.060 -1.981 1.00 0.00 H new ATOM 0 HZ PHE A 3 21.148 -12.153 -4.143 1.00 0.00 H new ATOM 52 N SER A 4 17.036 -10.190 -1.849 1.00 0.00 N ATOM 53 CA SER A 4 17.481 -8.962 -2.490 1.00 0.00 C ATOM 54 C SER A 4 16.906 -8.913 -3.913 1.00 0.00 C ATOM 55 O SER A 4 16.137 -9.798 -4.306 1.00 0.00 O ATOM 56 CB SER A 4 19.018 -8.919 -2.482 1.00 0.00 C ATOM 57 OG SER A 4 19.482 -7.613 -2.739 1.00 0.00 O ATOM 0 H SER A 4 16.641 -10.859 -2.510 1.00 0.00 H new ATOM 0 HA SER A 4 17.124 -8.084 -1.952 1.00 0.00 H new ATOM 0 HB2 SER A 4 19.391 -9.259 -1.516 1.00 0.00 H new ATOM 0 HB3 SER A 4 19.410 -9.604 -3.234 1.00 0.00 H new ATOM 0 HG SER A 4 20.462 -7.606 -2.728 1.00 0.00 H new ATOM 63 N GLY A 5 17.281 -7.890 -4.683 1.00 0.00 N ATOM 64 CA GLY A 5 16.943 -7.693 -6.083 1.00 0.00 C ATOM 65 C GLY A 5 16.300 -6.329 -6.266 1.00 0.00 C ATOM 66 O GLY A 5 16.993 -5.311 -6.303 1.00 0.00 O ATOM 0 H GLY A 5 17.863 -7.136 -4.319 1.00 0.00 H new ATOM 0 HA2 GLY A 5 17.840 -7.769 -6.698 1.00 0.00 H new ATOM 0 HA3 GLY A 5 16.261 -8.475 -6.416 1.00 0.00 H new ATOM 70 N ASP A 6 14.974 -6.291 -6.329 1.00 0.00 N ATOM 71 CA ASP A 6 14.182 -5.074 -6.448 1.00 0.00 C ATOM 72 C ASP A 6 14.129 -4.469 -5.059 1.00 0.00 C ATOM 73 O ASP A 6 14.789 -3.467 -4.769 1.00 0.00 O ATOM 74 CB ASP A 6 12.747 -5.380 -6.930 1.00 0.00 C ATOM 75 CG ASP A 6 12.555 -5.303 -8.439 1.00 0.00 C ATOM 76 OD1 ASP A 6 13.395 -5.846 -9.187 1.00 0.00 O ATOM 77 OD2 ASP A 6 11.518 -4.732 -8.858 1.00 0.00 O ATOM 0 H ASP A 6 14.402 -7.135 -6.298 1.00 0.00 H new ATOM 0 HA ASP A 6 14.629 -4.399 -7.178 1.00 0.00 H new ATOM 0 HB2 ASP A 6 12.469 -6.378 -6.592 1.00 0.00 H new ATOM 0 HB3 ASP A 6 12.061 -4.680 -6.453 1.00 0.00 H new ATOM 82 N ILE A 7 13.360 -5.098 -4.180 1.00 0.00 N ATOM 83 CA ILE A 7 13.020 -4.608 -2.864 1.00 0.00 C ATOM 84 C ILE A 7 14.028 -5.097 -1.824 1.00 0.00 C ATOM 85 O ILE A 7 13.681 -5.608 -0.771 1.00 0.00 O ATOM 86 CB ILE A 7 11.538 -4.869 -2.543 1.00 0.00 C ATOM 87 CG1 ILE A 7 11.093 -6.347 -2.419 1.00 0.00 C ATOM 88 CG2 ILE A 7 10.654 -4.085 -3.531 1.00 0.00 C ATOM 89 CD1 ILE A 7 11.334 -7.276 -3.612 1.00 0.00 C ATOM 0 H ILE A 7 12.940 -6.006 -4.381 1.00 0.00 H new ATOM 0 HA ILE A 7 13.110 -3.522 -2.835 1.00 0.00 H new ATOM 0 HB ILE A 7 11.403 -4.504 -1.525 1.00 0.00 H new ATOM 0 HG12 ILE A 7 11.600 -6.776 -1.555 1.00 0.00 H new ATOM 0 HG13 ILE A 7 10.025 -6.356 -2.200 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.604 -4.269 -3.305 1.00 0.00 H new ATOM 0 HG22 ILE A 7 10.863 -3.019 -3.440 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.868 -4.411 -4.549 1.00 0.00 H new ATOM 0 HD11 ILE A 7 10.970 -8.276 -3.374 1.00 0.00 H new ATOM 0 HD12 ILE A 7 10.803 -6.894 -4.484 1.00 0.00 H new ATOM 0 HD13 ILE A 7 12.401 -7.321 -3.829 1.00 0.00 H new ATOM 101 N ALA A 8 15.303 -4.861 -2.107 1.00 0.00 N ATOM 102 CA ALA A 8 16.465 -5.177 -1.277 1.00 0.00 C ATOM 103 C ALA A 8 16.536 -4.332 0.001 1.00 0.00 C ATOM 104 O ALA A 8 17.522 -4.369 0.734 1.00 0.00 O ATOM 105 CB ALA A 8 17.728 -4.963 -2.119 1.00 0.00 C ATOM 0 H ALA A 8 15.574 -4.413 -2.982 1.00 0.00 H new ATOM 0 HA ALA A 8 16.378 -6.214 -0.953 1.00 0.00 H new ATOM 0 HB1 ALA A 8 18.609 -5.193 -1.519 1.00 0.00 H new ATOM 0 HB2 ALA A 8 17.700 -5.619 -2.989 1.00 0.00 H new ATOM 0 HB3 ALA A 8 17.774 -3.925 -2.448 1.00 0.00 H new ATOM 111 N ASN A 9 15.528 -3.502 0.248 1.00 0.00 N ATOM 112 CA ASN A 9 15.336 -2.712 1.435 1.00 0.00 C ATOM 113 C ASN A 9 14.065 -3.146 2.152 1.00 0.00 C ATOM 114 O ASN A 9 13.851 -2.732 3.292 1.00 0.00 O ATOM 115 CB ASN A 9 15.192 -1.268 0.968 1.00 0.00 C ATOM 116 CG ASN A 9 16.498 -0.731 0.424 1.00 0.00 C ATOM 117 OD1 ASN A 9 17.407 -0.380 1.167 1.00 0.00 O ATOM 118 ND2 ASN A 9 16.651 -0.711 -0.889 1.00 0.00 N ATOM 0 H ASN A 9 14.778 -3.362 -0.429 1.00 0.00 H new ATOM 0 HA ASN A 9 16.170 -2.830 2.127 1.00 0.00 H new ATOM 0 HB2 ASN A 9 14.423 -1.208 0.198 1.00 0.00 H new ATOM 0 HB3 ASN A 9 14.859 -0.647 1.799 1.00 0.00 H new ATOM 0 HD21 ASN A 9 17.534 -0.401 -1.295 1.00 0.00 H new ATOM 0 HD22 ASN A 9 15.886 -1.006 -1.496 1.00 0.00 H new ATOM 125 N LEU A 10 13.196 -3.903 1.473 1.00 0.00 N ATOM 126 CA LEU A 10 11.889 -4.287 1.981 1.00 0.00 C ATOM 127 C LEU A 10 11.458 -5.607 1.343 1.00 0.00 C ATOM 128 O LEU A 10 10.537 -5.657 0.534 1.00 0.00 O ATOM 129 CB LEU A 10 10.860 -3.135 1.895 1.00 0.00 C ATOM 130 CG LEU A 10 10.463 -2.495 0.543 1.00 0.00 C ATOM 131 CD1 LEU A 10 9.467 -1.373 0.838 1.00 0.00 C ATOM 132 CD2 LEU A 10 11.617 -1.848 -0.237 1.00 0.00 C ATOM 0 H LEU A 10 13.391 -4.268 0.541 1.00 0.00 H new ATOM 0 HA LEU A 10 11.952 -4.476 3.053 1.00 0.00 H new ATOM 0 HB2 LEU A 10 9.941 -3.499 2.354 1.00 0.00 H new ATOM 0 HB3 LEU A 10 11.235 -2.330 2.527 1.00 0.00 H new ATOM 0 HG LEU A 10 10.072 -3.308 -0.069 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.166 -0.899 -0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.589 -1.787 1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.935 -0.632 1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 10 11.237 -1.429 -1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 10 12.062 -1.054 0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 10 12.373 -2.601 -0.460 1.00 0.00 H new ATOM 144 N THR A 11 12.132 -6.689 1.729 1.00 0.00 N ATOM 145 CA THR A 11 11.877 -8.046 1.285 1.00 0.00 C ATOM 146 C THR A 11 10.664 -8.609 2.039 1.00 0.00 C ATOM 147 O THR A 11 10.113 -7.959 2.910 1.00 0.00 O ATOM 148 CB THR A 11 13.146 -8.883 1.507 1.00 0.00 C ATOM 149 OG1 THR A 11 14.363 -8.155 1.391 1.00 0.00 O ATOM 150 CG2 THR A 11 13.301 -9.954 0.437 1.00 0.00 C ATOM 0 H THR A 11 12.906 -6.634 2.391 1.00 0.00 H new ATOM 0 HA THR A 11 11.638 -8.073 0.222 1.00 0.00 H new ATOM 0 HB THR A 11 13.003 -9.267 2.517 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.539 -7.676 2.228 1.00 0.00 H new ATOM 0 HG21 THR A 11 14.209 -10.527 0.625 1.00 0.00 H new ATOM 0 HG22 THR A 11 12.439 -10.621 0.462 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.366 -9.482 -0.543 1.00 0.00 H new ATOM 158 N ALA A 12 10.226 -9.825 1.739 1.00 0.00 N ATOM 159 CA ALA A 12 9.033 -10.454 2.327 1.00 0.00 C ATOM 160 C ALA A 12 9.103 -10.526 3.843 1.00 0.00 C ATOM 161 O ALA A 12 8.192 -10.032 4.509 1.00 0.00 O ATOM 162 CB ALA A 12 8.809 -11.833 1.698 1.00 0.00 C ATOM 0 H ALA A 12 10.699 -10.424 1.062 1.00 0.00 H new ATOM 0 HA ALA A 12 8.173 -9.825 2.100 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.924 -12.294 2.137 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.665 -11.724 0.623 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.678 -12.464 1.886 1.00 0.00 H new ATOM 168 N ALA A 13 10.195 -11.058 4.384 1.00 0.00 N ATOM 169 CA ALA A 13 10.342 -11.131 5.834 1.00 0.00 C ATOM 170 C ALA A 13 10.470 -9.723 6.426 1.00 0.00 C ATOM 171 O ALA A 13 10.040 -9.469 7.549 1.00 0.00 O ATOM 172 CB ALA A 13 11.557 -11.990 6.182 1.00 0.00 C ATOM 0 H ALA A 13 10.978 -11.438 3.852 1.00 0.00 H new ATOM 0 HA ALA A 13 9.455 -11.594 6.267 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.666 -12.044 7.265 1.00 0.00 H new ATOM 0 HB2 ALA A 13 11.420 -12.994 5.781 1.00 0.00 H new ATOM 0 HB3 ALA A 13 12.453 -11.545 5.749 1.00 0.00 H new ATOM 178 N GLU A 14 11.027 -8.802 5.643 1.00 0.00 N ATOM 179 CA GLU A 14 11.316 -7.423 5.993 1.00 0.00 C ATOM 180 C GLU A 14 10.033 -6.603 6.013 1.00 0.00 C ATOM 181 O GLU A 14 9.924 -5.652 6.778 1.00 0.00 O ATOM 182 CB GLU A 14 12.256 -6.885 4.908 1.00 0.00 C ATOM 183 CG GLU A 14 13.602 -6.344 5.394 1.00 0.00 C ATOM 184 CD GLU A 14 14.685 -6.855 4.452 1.00 0.00 C ATOM 185 OE1 GLU A 14 14.734 -6.420 3.281 1.00 0.00 O ATOM 186 OE2 GLU A 14 15.386 -7.824 4.826 1.00 0.00 O ATOM 0 H GLU A 14 11.305 -9.019 4.686 1.00 0.00 H new ATOM 0 HA GLU A 14 11.769 -7.359 6.982 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.446 -7.684 4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.740 -6.090 4.370 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.592 -5.254 5.407 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.799 -6.673 6.414 1.00 0.00 H new ATOM 193 N ILE A 15 9.072 -6.953 5.163 1.00 0.00 N ATOM 194 CA ILE A 15 7.764 -6.360 5.063 1.00 0.00 C ATOM 195 C ILE A 15 6.963 -6.897 6.225 1.00 0.00 C ATOM 196 O ILE A 15 6.503 -6.106 7.034 1.00 0.00 O ATOM 197 CB ILE A 15 7.163 -6.647 3.666 1.00 0.00 C ATOM 198 CG1 ILE A 15 7.840 -5.698 2.659 1.00 0.00 C ATOM 199 CG2 ILE A 15 5.631 -6.505 3.613 1.00 0.00 C ATOM 200 CD1 ILE A 15 7.438 -5.931 1.196 1.00 0.00 C ATOM 0 H ILE A 15 9.205 -7.706 4.488 1.00 0.00 H new ATOM 0 HA ILE A 15 7.776 -5.272 5.136 1.00 0.00 H new ATOM 0 HB ILE A 15 7.358 -7.690 3.416 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.599 -4.670 2.929 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.921 -5.806 2.747 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.280 -6.721 2.604 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.176 -7.206 4.313 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.350 -5.487 3.885 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.961 -5.220 0.557 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.704 -6.946 0.903 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.362 -5.793 1.088 1.00 0.00 H new ATOM 212 N GLU A 16 6.839 -8.213 6.361 1.00 0.00 N ATOM 213 CA GLU A 16 6.078 -8.765 7.478 1.00 0.00 C ATOM 214 C GLU A 16 6.534 -8.209 8.830 1.00 0.00 C ATOM 215 O GLU A 16 5.704 -7.781 9.631 1.00 0.00 O ATOM 216 CB GLU A 16 6.234 -10.279 7.505 1.00 0.00 C ATOM 217 CG GLU A 16 4.996 -11.038 7.006 1.00 0.00 C ATOM 218 CD GLU A 16 3.828 -11.020 8.006 1.00 0.00 C ATOM 219 OE1 GLU A 16 4.054 -11.156 9.233 1.00 0.00 O ATOM 220 OE2 GLU A 16 2.661 -10.886 7.577 1.00 0.00 O ATOM 0 H GLU A 16 7.244 -8.904 5.729 1.00 0.00 H new ATOM 0 HA GLU A 16 5.037 -8.479 7.325 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.091 -10.558 6.892 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.455 -10.594 8.525 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.665 -10.601 6.064 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.271 -12.072 6.798 1.00 0.00 H new ATOM 227 N GLN A 17 7.839 -8.224 9.102 1.00 0.00 N ATOM 228 CA GLN A 17 8.394 -7.749 10.357 1.00 0.00 C ATOM 229 C GLN A 17 8.362 -6.226 10.363 1.00 0.00 C ATOM 230 O GLN A 17 8.137 -5.609 11.402 1.00 0.00 O ATOM 231 CB GLN A 17 9.832 -8.254 10.442 1.00 0.00 C ATOM 232 CG GLN A 17 10.537 -7.986 11.774 1.00 0.00 C ATOM 233 CD GLN A 17 10.349 -9.140 12.749 1.00 0.00 C ATOM 234 OE1 GLN A 17 9.537 -9.086 13.668 1.00 0.00 O ATOM 235 NE2 GLN A 17 11.112 -10.205 12.573 1.00 0.00 N ATOM 0 H GLN A 17 8.541 -8.570 8.448 1.00 0.00 H new ATOM 0 HA GLN A 17 7.822 -8.112 11.211 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.835 -9.328 10.257 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.411 -7.791 9.643 1.00 0.00 H new ATOM 0 HG2 GLN A 17 11.601 -7.827 11.598 1.00 0.00 H new ATOM 0 HG3 GLN A 17 10.147 -7.069 12.215 1.00 0.00 H new ATOM 0 HE21 GLN A 17 11.781 -10.232 11.804 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.032 -11.000 13.207 1.00 0.00 H new ATOM 244 N GLY A 18 8.582 -5.612 9.203 1.00 0.00 N ATOM 245 CA GLY A 18 8.625 -4.184 9.022 1.00 0.00 C ATOM 246 C GLY A 18 7.311 -3.588 9.446 1.00 0.00 C ATOM 247 O GLY A 18 7.290 -2.556 10.115 1.00 0.00 O ATOM 0 H GLY A 18 8.740 -6.126 8.336 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.438 -3.756 9.609 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.826 -3.944 7.978 1.00 0.00 H new ATOM 251 N PHE A 19 6.223 -4.271 9.095 1.00 0.00 N ATOM 252 CA PHE A 19 4.894 -3.686 9.162 1.00 0.00 C ATOM 253 C PHE A 19 4.039 -4.418 10.185 1.00 0.00 C ATOM 254 O PHE A 19 2.831 -4.219 10.259 1.00 0.00 O ATOM 255 CB PHE A 19 4.392 -3.566 7.717 1.00 0.00 C ATOM 256 CG PHE A 19 5.372 -2.703 6.926 1.00 0.00 C ATOM 257 CD1 PHE A 19 5.719 -1.420 7.388 1.00 0.00 C ATOM 258 CD2 PHE A 19 6.145 -3.281 5.908 1.00 0.00 C ATOM 259 CE1 PHE A 19 6.795 -0.720 6.820 1.00 0.00 C ATOM 260 CE2 PHE A 19 7.273 -2.616 5.398 1.00 0.00 C ATOM 261 CZ PHE A 19 7.577 -1.320 5.827 1.00 0.00 C ATOM 0 H PHE A 19 6.241 -5.234 8.760 1.00 0.00 H new ATOM 0 HA PHE A 19 4.863 -2.671 9.559 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.308 -4.554 7.264 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.397 -3.121 7.699 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.151 -0.969 8.188 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.870 -4.247 5.512 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.020 0.283 7.150 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.906 -3.107 4.674 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.410 -0.786 5.395 1.00 0.00 H new ATOM 271 N LYS A 20 4.712 -5.187 11.052 1.00 0.00 N ATOM 272 CA LYS A 20 4.137 -6.023 12.101 1.00 0.00 C ATOM 273 C LYS A 20 3.224 -5.320 13.101 1.00 0.00 C ATOM 274 O LYS A 20 2.565 -5.982 13.901 1.00 0.00 O ATOM 275 CB LYS A 20 5.289 -6.796 12.791 1.00 0.00 C ATOM 276 CG LYS A 20 5.980 -5.974 13.895 1.00 0.00 C ATOM 277 CD LYS A 20 7.240 -6.661 14.438 1.00 0.00 C ATOM 278 CE LYS A 20 7.727 -5.943 15.702 1.00 0.00 C ATOM 279 NZ LYS A 20 7.128 -6.527 16.916 1.00 0.00 N ATOM 0 H LYS A 20 5.730 -5.241 11.034 1.00 0.00 H new ATOM 0 HA LYS A 20 3.446 -6.709 11.611 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.896 -7.717 13.222 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.027 -7.084 12.042 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.246 -4.993 13.501 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.279 -5.809 14.713 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.026 -7.706 14.663 1.00 0.00 H new ATOM 0 HD3 LYS A 20 8.024 -6.652 13.680 1.00 0.00 H new ATOM 0 HE2 LYS A 20 8.813 -6.007 15.763 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.473 -4.885 15.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.477 -6.020 17.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.093 -6.443 16.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.391 -7.531 16.985 1.00 0.00 H new ATOM 293 N ASP A 21 3.222 -3.998 13.091 1.00 0.00 N ATOM 294 CA ASP A 21 2.500 -3.081 13.936 1.00 0.00 C ATOM 295 C ASP A 21 1.273 -2.466 13.251 1.00 0.00 C ATOM 296 O ASP A 21 0.543 -1.688 13.879 1.00 0.00 O ATOM 297 CB ASP A 21 3.483 -1.983 14.328 1.00 0.00 C ATOM 298 CG ASP A 21 3.710 -0.963 13.215 1.00 0.00 C ATOM 299 OD1 ASP A 21 4.392 -1.328 12.231 1.00 0.00 O ATOM 300 OD2 ASP A 21 3.247 0.198 13.325 1.00 0.00 O ATOM 0 H ASP A 21 3.792 -3.492 12.413 1.00 0.00 H new ATOM 0 HA ASP A 21 2.115 -3.621 14.801 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.111 -1.469 15.214 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.437 -2.436 14.599 1.00 0.00 H new ATOM 305 N VAL A 22 1.023 -2.777 11.978 1.00 0.00 N ATOM 306 CA VAL A 22 -0.193 -2.422 11.250 1.00 0.00 C ATOM 307 C VAL A 22 -0.847 -3.740 10.775 1.00 0.00 C ATOM 308 O VAL A 22 -0.256 -4.804 10.990 1.00 0.00 O ATOM 309 CB VAL A 22 0.146 -1.393 10.138 1.00 0.00 C ATOM 310 CG1 VAL A 22 -0.767 -0.159 10.233 1.00 0.00 C ATOM 311 CG2 VAL A 22 1.586 -0.832 10.181 1.00 0.00 C ATOM 0 H VAL A 22 1.686 -3.301 11.407 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.932 -1.913 11.868 1.00 0.00 H new ATOM 0 HB VAL A 22 0.010 -1.965 9.220 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.509 0.546 9.443 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.807 -0.466 10.120 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.633 0.319 11.204 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.725 -0.123 9.365 1.00 0.00 H new ATOM 0 HG22 VAL A 22 1.752 -0.327 11.133 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.299 -1.650 10.075 1.00 0.00 H new ATOM 321 N PRO A 23 -2.090 -3.754 10.252 1.00 0.00 N ATOM 322 CA PRO A 23 -2.713 -4.996 9.839 1.00 0.00 C ATOM 323 C PRO A 23 -2.267 -5.355 8.423 1.00 0.00 C ATOM 324 O PRO A 23 -1.656 -4.561 7.694 1.00 0.00 O ATOM 325 CB PRO A 23 -4.217 -4.741 9.907 1.00 0.00 C ATOM 326 CG PRO A 23 -4.299 -3.294 9.451 1.00 0.00 C ATOM 327 CD PRO A 23 -3.023 -2.663 10.021 1.00 0.00 C ATOM 0 HA PRO A 23 -2.433 -5.836 10.475 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.777 -5.410 9.253 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.611 -4.877 10.914 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.333 -3.218 8.364 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.194 -2.803 9.833 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.605 -1.936 9.324 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.234 -2.131 10.948 1.00 0.00 H new ATOM 335 N SER A 24 -2.674 -6.547 8.015 1.00 0.00 N ATOM 336 CA SER A 24 -2.401 -7.117 6.717 1.00 0.00 C ATOM 337 C SER A 24 -3.713 -7.598 6.103 1.00 0.00 C ATOM 338 O SER A 24 -4.666 -7.868 6.838 1.00 0.00 O ATOM 339 CB SER A 24 -1.356 -8.233 6.881 1.00 0.00 C ATOM 340 OG SER A 24 -1.694 -9.195 7.860 1.00 0.00 O ATOM 0 H SER A 24 -3.227 -7.165 8.609 1.00 0.00 H new ATOM 0 HA SER A 24 -1.981 -6.382 6.030 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.222 -8.735 5.923 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.398 -7.784 7.142 1.00 0.00 H new ATOM 0 HG SER A 24 -0.988 -9.873 7.909 1.00 0.00 H new ATOM 346 N PHE A 25 -3.777 -7.743 4.780 1.00 0.00 N ATOM 347 CA PHE A 25 -4.919 -8.324 4.103 1.00 0.00 C ATOM 348 C PHE A 25 -4.406 -9.301 3.066 1.00 0.00 C ATOM 349 O PHE A 25 -3.307 -9.123 2.536 1.00 0.00 O ATOM 350 CB PHE A 25 -5.689 -7.190 3.445 1.00 0.00 C ATOM 351 CG PHE A 25 -6.758 -7.613 2.465 1.00 0.00 C ATOM 352 CD1 PHE A 25 -7.993 -8.084 2.938 1.00 0.00 C ATOM 353 CD2 PHE A 25 -6.526 -7.508 1.081 1.00 0.00 C ATOM 354 CE1 PHE A 25 -8.986 -8.485 2.030 1.00 0.00 C ATOM 355 CE2 PHE A 25 -7.535 -7.866 0.177 1.00 0.00 C ATOM 356 CZ PHE A 25 -8.752 -8.388 0.650 1.00 0.00 C ATOM 0 H PHE A 25 -3.028 -7.456 4.150 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.576 -8.855 4.792 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -6.154 -6.589 4.226 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.980 -6.545 2.926 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -8.179 -8.138 4.000 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.573 -7.153 0.717 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -9.928 -8.868 2.393 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.378 -7.741 -0.884 1.00 0.00 H new ATOM 0 HZ PHE A 25 -9.507 -8.715 -0.050 1.00 0.00 H new ATOM 366 N VAL A 26 -5.230 -10.288 2.740 1.00 0.00 N ATOM 367 CA VAL A 26 -4.969 -11.295 1.742 1.00 0.00 C ATOM 368 C VAL A 26 -6.174 -11.322 0.810 1.00 0.00 C ATOM 369 O VAL A 26 -7.307 -11.365 1.300 1.00 0.00 O ATOM 370 CB VAL A 26 -4.633 -12.637 2.427 1.00 0.00 C ATOM 371 CG1 VAL A 26 -5.832 -13.420 2.959 1.00 0.00 C ATOM 372 CG2 VAL A 26 -3.869 -13.561 1.488 1.00 0.00 C ATOM 0 H VAL A 26 -6.138 -10.406 3.190 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.092 -11.076 1.133 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.030 -12.336 3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.487 -14.345 3.420 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.359 -12.819 3.700 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.507 -13.655 2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.647 -14.497 2.000 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.475 -13.765 0.605 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.937 -13.083 1.186 1.00 0.00 H new ATOM 382 N HIS A 27 -5.953 -11.298 -0.507 1.00 0.00 N ATOM 383 CA HIS A 27 -7.003 -11.647 -1.459 1.00 0.00 C ATOM 384 C HIS A 27 -6.626 -12.796 -2.386 1.00 0.00 C ATOM 385 O HIS A 27 -5.506 -13.282 -2.425 1.00 0.00 O ATOM 386 CB HIS A 27 -7.457 -10.417 -2.237 1.00 0.00 C ATOM 387 CG HIS A 27 -6.383 -9.639 -2.949 1.00 0.00 C ATOM 388 ND1 HIS A 27 -6.623 -8.498 -3.661 1.00 0.00 N ATOM 389 CD2 HIS A 27 -5.043 -9.912 -3.045 1.00 0.00 C ATOM 390 CE1 HIS A 27 -5.453 -8.094 -4.166 1.00 0.00 C ATOM 391 NE2 HIS A 27 -4.447 -8.902 -3.798 1.00 0.00 N ATOM 0 H HIS A 27 -5.062 -11.042 -0.933 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.845 -12.014 -0.872 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.195 -10.733 -2.974 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.964 -9.744 -1.546 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -7.526 -8.040 -3.784 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.537 -10.762 -2.612 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.332 -7.223 -4.794 1.00 0.00 H new ATOM 399 N GLU A 28 -7.605 -13.231 -3.151 1.00 0.00 N ATOM 400 CA GLU A 28 -7.676 -14.482 -3.902 1.00 0.00 C ATOM 401 C GLU A 28 -6.915 -14.409 -5.238 1.00 0.00 C ATOM 402 O GLU A 28 -7.374 -14.965 -6.240 1.00 0.00 O ATOM 403 CB GLU A 28 -9.161 -14.841 -4.093 1.00 0.00 C ATOM 404 CG GLU A 28 -9.874 -15.094 -2.752 1.00 0.00 C ATOM 405 CD GLU A 28 -11.386 -15.283 -2.899 1.00 0.00 C ATOM 406 OE1 GLU A 28 -11.867 -15.702 -3.979 1.00 0.00 O ATOM 407 OE2 GLU A 28 -12.126 -14.943 -1.946 1.00 0.00 O ATOM 0 H GLU A 28 -8.450 -12.674 -3.279 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.179 -15.272 -3.339 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.664 -14.032 -4.623 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -9.241 -15.730 -4.719 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.447 -15.981 -2.283 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.683 -14.256 -2.082 1.00 0.00 H new ATOM 414 N GLY A 29 -5.761 -13.733 -5.275 1.00 0.00 N ATOM 415 CA GLY A 29 -4.930 -13.569 -6.467 1.00 0.00 C ATOM 416 C GLY A 29 -5.651 -12.877 -7.631 1.00 0.00 C ATOM 417 O GLY A 29 -6.764 -12.356 -7.477 1.00 0.00 O ATOM 0 H GLY A 29 -5.371 -13.273 -4.452 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.044 -12.991 -6.205 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.585 -14.549 -6.796 1.00 0.00 H new ATOM 421 N GLY A 30 -4.998 -12.861 -8.794 1.00 0.00 N ATOM 422 CA GLY A 30 -5.368 -12.048 -9.943 1.00 0.00 C ATOM 423 C GLY A 30 -4.923 -10.616 -9.665 1.00 0.00 C ATOM 424 O GLY A 30 -5.083 -10.131 -8.546 1.00 0.00 O ATOM 0 H GLY A 30 -4.171 -13.434 -8.963 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.892 -12.427 -10.848 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.445 -12.088 -10.108 1.00 0.00 H new ATOM 428 N ASP A 31 -4.339 -9.930 -10.651 1.00 0.00 N ATOM 429 CA ASP A 31 -3.994 -8.521 -10.459 1.00 0.00 C ATOM 430 C ASP A 31 -5.266 -7.699 -10.283 1.00 0.00 C ATOM 431 O ASP A 31 -6.264 -7.904 -10.977 1.00 0.00 O ATOM 432 CB ASP A 31 -2.997 -7.957 -11.471 1.00 0.00 C ATOM 433 CG ASP A 31 -3.397 -8.137 -12.920 1.00 0.00 C ATOM 434 OD1 ASP A 31 -3.082 -9.220 -13.467 1.00 0.00 O ATOM 435 OD2 ASP A 31 -3.890 -7.177 -13.546 1.00 0.00 O ATOM 0 H ASP A 31 -4.101 -10.314 -11.565 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.423 -8.446 -9.533 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.863 -6.893 -11.275 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.030 -8.435 -11.313 1.00 0.00 H new ATOM 440 N VAL A 32 -5.234 -6.776 -9.321 1.00 0.00 N ATOM 441 CA VAL A 32 -6.417 -6.138 -8.751 1.00 0.00 C ATOM 442 C VAL A 32 -6.041 -4.708 -8.426 1.00 0.00 C ATOM 443 O VAL A 32 -4.950 -4.483 -7.912 1.00 0.00 O ATOM 444 CB VAL A 32 -6.871 -6.912 -7.497 1.00 0.00 C ATOM 445 CG1 VAL A 32 -7.673 -6.124 -6.445 1.00 0.00 C ATOM 446 CG2 VAL A 32 -7.694 -8.152 -7.872 1.00 0.00 C ATOM 0 H VAL A 32 -4.362 -6.445 -8.908 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.254 -6.144 -9.449 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.920 -7.169 -7.030 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.930 -6.783 -5.615 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.071 -5.294 -6.076 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.586 -5.737 -6.898 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.998 -8.675 -6.965 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.580 -7.846 -8.429 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.089 -8.817 -8.489 1.00 0.00 H new ATOM 456 N PRO A 33 -6.920 -3.742 -8.700 1.00 0.00 N ATOM 457 CA PRO A 33 -6.583 -2.343 -8.632 1.00 0.00 C ATOM 458 C PRO A 33 -6.391 -1.904 -7.189 1.00 0.00 C ATOM 459 O PRO A 33 -7.118 -2.327 -6.279 1.00 0.00 O ATOM 460 CB PRO A 33 -7.718 -1.636 -9.375 1.00 0.00 C ATOM 461 CG PRO A 33 -8.912 -2.541 -9.115 1.00 0.00 C ATOM 462 CD PRO A 33 -8.284 -3.931 -9.141 1.00 0.00 C ATOM 0 HA PRO A 33 -5.630 -2.096 -9.099 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.884 -0.629 -8.993 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.507 -1.543 -10.440 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.383 -2.326 -8.156 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -9.681 -2.429 -9.880 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -8.819 -4.616 -8.483 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.318 -4.359 -10.143 1.00 0.00 H new ATOM 470 N LEU A 34 -5.445 -0.977 -7.004 1.00 0.00 N ATOM 471 CA LEU A 34 -5.139 -0.395 -5.711 1.00 0.00 C ATOM 472 C LEU A 34 -6.408 0.051 -4.950 1.00 0.00 C ATOM 473 O LEU A 34 -6.520 -0.149 -3.742 1.00 0.00 O ATOM 474 CB LEU A 34 -3.988 0.625 -5.776 1.00 0.00 C ATOM 475 CG LEU A 34 -3.837 1.671 -6.901 1.00 0.00 C ATOM 476 CD1 LEU A 34 -5.091 2.054 -7.707 1.00 0.00 C ATOM 477 CD2 LEU A 34 -3.061 2.915 -6.450 1.00 0.00 C ATOM 0 H LEU A 34 -4.869 -0.612 -7.762 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.731 -1.184 -5.078 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.020 1.184 -4.841 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.065 0.046 -5.770 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.245 1.115 -7.628 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.827 2.797 -8.459 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.493 1.168 -8.198 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.843 2.469 -7.035 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.985 3.617 -7.280 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.585 3.390 -5.620 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.061 2.623 -6.128 1.00 0.00 H new ATOM 489 N VAL A 35 -7.408 0.571 -5.666 1.00 0.00 N ATOM 490 CA VAL A 35 -8.681 1.084 -5.150 1.00 0.00 C ATOM 491 C VAL A 35 -9.707 0.001 -4.812 1.00 0.00 C ATOM 492 O VAL A 35 -10.621 0.285 -4.042 1.00 0.00 O ATOM 493 CB VAL A 35 -9.202 2.152 -6.139 1.00 0.00 C ATOM 494 CG1 VAL A 35 -9.484 1.600 -7.546 1.00 0.00 C ATOM 495 CG2 VAL A 35 -10.432 2.907 -5.633 1.00 0.00 C ATOM 0 H VAL A 35 -7.348 0.650 -6.681 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.505 1.547 -4.179 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.375 2.859 -6.209 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.846 2.404 -8.186 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.567 1.187 -7.966 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.239 0.817 -7.485 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.741 3.640 -6.378 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.245 2.202 -5.458 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.188 3.418 -4.702 1.00 0.00 H new ATOM 505 N GLU A 36 -9.548 -1.238 -5.276 1.00 0.00 N ATOM 506 CA GLU A 36 -10.309 -2.342 -4.710 1.00 0.00 C ATOM 507 C GLU A 36 -9.538 -2.915 -3.529 1.00 0.00 C ATOM 508 O GLU A 36 -10.136 -3.130 -2.477 1.00 0.00 O ATOM 509 CB GLU A 36 -10.612 -3.427 -5.755 1.00 0.00 C ATOM 510 CG GLU A 36 -11.658 -2.985 -6.793 1.00 0.00 C ATOM 511 CD GLU A 36 -12.994 -2.546 -6.188 1.00 0.00 C ATOM 512 OE1 GLU A 36 -13.513 -3.202 -5.254 1.00 0.00 O ATOM 513 OE2 GLU A 36 -13.549 -1.527 -6.669 1.00 0.00 O ATOM 0 H GLU A 36 -8.910 -1.496 -6.029 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.274 -1.966 -4.370 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.689 -3.697 -6.269 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.968 -4.324 -5.247 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.248 -2.161 -7.377 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.838 -3.808 -7.485 1.00 0.00 H new ATOM 520 N LEU A 37 -8.219 -3.124 -3.624 1.00 0.00 N ATOM 521 CA LEU A 37 -7.525 -3.898 -2.612 1.00 0.00 C ATOM 522 C LEU A 37 -7.318 -3.060 -1.379 1.00 0.00 C ATOM 523 O LEU A 37 -7.152 -3.657 -0.329 1.00 0.00 O ATOM 524 CB LEU A 37 -6.248 -4.577 -3.124 1.00 0.00 C ATOM 525 CG LEU A 37 -5.096 -3.706 -3.655 1.00 0.00 C ATOM 526 CD1 LEU A 37 -4.379 -2.877 -2.578 1.00 0.00 C ATOM 527 CD2 LEU A 37 -4.082 -4.660 -4.294 1.00 0.00 C ATOM 0 H LEU A 37 -7.629 -2.772 -4.378 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.163 -4.738 -2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.852 -5.186 -2.311 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.537 -5.261 -3.922 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.518 -2.984 -4.354 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.582 -2.293 -3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.092 -2.204 -2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.953 -3.544 -1.829 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.242 -4.088 -4.688 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.722 -5.364 -3.544 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.560 -5.208 -5.106 1.00 0.00 H new ATOM 539 N LEU A 38 -7.409 -1.720 -1.426 1.00 0.00 N ATOM 540 CA LEU A 38 -7.381 -0.967 -0.202 1.00 0.00 C ATOM 541 C LEU A 38 -8.719 -1.116 0.528 1.00 0.00 C ATOM 542 O LEU A 38 -8.771 -1.042 1.749 1.00 0.00 O ATOM 543 CB LEU A 38 -6.984 0.510 -0.416 1.00 0.00 C ATOM 544 CG LEU A 38 -8.159 1.512 -0.336 1.00 0.00 C ATOM 545 CD1 LEU A 38 -7.714 2.949 -0.146 1.00 0.00 C ATOM 546 CD2 LEU A 38 -9.072 1.413 -1.554 1.00 0.00 C ATOM 0 H LEU A 38 -7.499 -1.168 -2.279 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.596 -1.381 0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.239 0.784 0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.508 0.607 -1.392 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.718 1.224 0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.589 3.598 -0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.148 3.035 0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.085 3.249 -0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.885 2.133 -1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.500 1.629 -2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.485 0.406 -1.618 1.00 0.00 H new ATOM 558 N VAL A 39 -9.808 -1.211 -0.229 1.00 0.00 N ATOM 559 CA VAL A 39 -11.191 -1.137 0.232 1.00 0.00 C ATOM 560 C VAL A 39 -11.464 -2.445 0.952 1.00 0.00 C ATOM 561 O VAL A 39 -11.868 -2.463 2.113 1.00 0.00 O ATOM 562 CB VAL A 39 -12.073 -0.849 -1.014 1.00 0.00 C ATOM 563 CG1 VAL A 39 -13.031 -1.944 -1.522 1.00 0.00 C ATOM 564 CG2 VAL A 39 -12.946 0.397 -0.847 1.00 0.00 C ATOM 0 H VAL A 39 -9.746 -1.350 -1.238 1.00 0.00 H new ATOM 0 HA VAL A 39 -11.411 -0.338 0.940 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.279 -0.745 -1.754 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.570 -1.579 -2.396 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.459 -2.831 -1.793 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -13.743 -2.197 -0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -13.540 0.548 -1.748 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -13.610 0.264 0.007 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -12.311 1.267 -0.681 1.00 0.00 H new ATOM 574 N SER A 40 -11.103 -3.521 0.268 1.00 0.00 N ATOM 575 CA SER A 40 -11.027 -4.872 0.714 1.00 0.00 C ATOM 576 C SER A 40 -10.024 -5.007 1.857 1.00 0.00 C ATOM 577 O SER A 40 -10.349 -5.662 2.845 1.00 0.00 O ATOM 578 CB SER A 40 -10.645 -5.647 -0.541 1.00 0.00 C ATOM 579 OG SER A 40 -11.804 -5.913 -1.307 1.00 0.00 O ATOM 0 H SER A 40 -10.832 -3.442 -0.712 1.00 0.00 H new ATOM 0 HA SER A 40 -11.956 -5.254 1.136 1.00 0.00 H new ATOM 0 HB2 SER A 40 -9.931 -5.073 -1.131 1.00 0.00 H new ATOM 0 HB3 SER A 40 -10.155 -6.582 -0.268 1.00 0.00 H new ATOM 0 HG SER A 40 -11.556 -6.410 -2.114 1.00 0.00 H new ATOM 585 N ALA A 41 -8.861 -4.339 1.809 1.00 0.00 N ATOM 586 CA ALA A 41 -7.928 -4.435 2.930 1.00 0.00 C ATOM 587 C ALA A 41 -8.323 -3.547 4.118 1.00 0.00 C ATOM 588 O ALA A 41 -7.761 -3.711 5.198 1.00 0.00 O ATOM 589 CB ALA A 41 -6.490 -4.197 2.460 1.00 0.00 C ATOM 0 H ALA A 41 -8.556 -3.749 1.035 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.983 -5.454 3.312 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.812 -4.273 3.310 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.222 -4.946 1.714 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.411 -3.203 2.020 1.00 0.00 H new ATOM 595 N GLY A 42 -9.289 -2.634 3.970 1.00 0.00 N ATOM 596 CA GLY A 42 -9.853 -1.884 5.091 1.00 0.00 C ATOM 597 C GLY A 42 -9.072 -0.604 5.380 1.00 0.00 C ATOM 598 O GLY A 42 -9.174 -0.011 6.451 1.00 0.00 O ATOM 0 H GLY A 42 -9.700 -2.396 3.067 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.891 -1.633 4.872 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.858 -2.513 5.981 1.00 0.00 H new ATOM 602 N ILE A 43 -8.316 -0.135 4.394 1.00 0.00 N ATOM 603 CA ILE A 43 -7.457 1.031 4.465 1.00 0.00 C ATOM 604 C ILE A 43 -8.369 2.265 4.340 1.00 0.00 C ATOM 605 O ILE A 43 -8.124 3.269 5.013 1.00 0.00 O ATOM 606 CB ILE A 43 -6.463 0.924 3.285 1.00 0.00 C ATOM 607 CG1 ILE A 43 -5.242 -0.040 3.373 1.00 0.00 C ATOM 608 CG2 ILE A 43 -5.859 2.276 2.909 1.00 0.00 C ATOM 609 CD1 ILE A 43 -5.530 -1.352 4.092 1.00 0.00 C ATOM 0 H ILE A 43 -8.287 -0.584 3.479 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.893 1.106 5.395 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.148 0.496 2.553 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.895 -0.261 2.364 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.427 0.471 3.886 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.168 2.147 2.076 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.655 2.962 2.618 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.323 2.686 3.765 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.628 -1.963 4.109 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.847 -1.145 5.114 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.322 -1.888 3.568 1.00 0.00 H new ATOM 621 N SER A 44 -9.391 2.219 3.468 1.00 0.00 N ATOM 622 CA SER A 44 -10.476 3.197 3.420 1.00 0.00 C ATOM 623 C SER A 44 -11.586 2.489 2.662 1.00 0.00 C ATOM 624 O SER A 44 -11.381 2.218 1.483 1.00 0.00 O ATOM 625 CB SER A 44 -10.056 4.487 2.699 1.00 0.00 C ATOM 626 OG SER A 44 -9.956 5.566 3.607 1.00 0.00 O ATOM 0 H SER A 44 -9.482 1.484 2.766 1.00 0.00 H new ATOM 0 HA SER A 44 -10.780 3.512 4.418 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.098 4.335 2.203 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.782 4.727 1.923 1.00 0.00 H new ATOM 0 HG SER A 44 -9.608 6.355 3.141 1.00 0.00 H new ATOM 632 N PRO A 45 -12.711 2.131 3.298 1.00 0.00 N ATOM 633 CA PRO A 45 -13.756 1.357 2.646 1.00 0.00 C ATOM 634 C PRO A 45 -14.713 2.233 1.841 1.00 0.00 C ATOM 635 O PRO A 45 -15.539 1.755 1.068 1.00 0.00 O ATOM 636 CB PRO A 45 -14.491 0.684 3.801 1.00 0.00 C ATOM 637 CG PRO A 45 -14.421 1.722 4.922 1.00 0.00 C ATOM 638 CD PRO A 45 -13.096 2.446 4.669 1.00 0.00 C ATOM 0 HA PRO A 45 -13.342 0.651 1.926 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -15.522 0.447 3.537 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -14.013 -0.252 4.090 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -15.266 2.410 4.884 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -14.438 1.251 5.905 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -13.209 3.522 4.803 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -12.332 2.116 5.373 1.00 0.00 H new ATOM 646 N SER A 46 -14.652 3.538 2.055 1.00 0.00 N ATOM 647 CA SER A 46 -15.668 4.457 1.645 1.00 0.00 C ATOM 648 C SER A 46 -15.274 4.907 0.250 1.00 0.00 C ATOM 649 O SER A 46 -14.363 5.711 0.148 1.00 0.00 O ATOM 650 CB SER A 46 -15.658 5.549 2.701 1.00 0.00 C ATOM 651 OG SER A 46 -15.849 5.025 4.003 1.00 0.00 O ATOM 0 H SER A 46 -13.869 3.985 2.532 1.00 0.00 H new ATOM 0 HA SER A 46 -16.685 4.069 1.580 1.00 0.00 H new ATOM 0 HB2 SER A 46 -14.710 6.085 2.661 1.00 0.00 H new ATOM 0 HB3 SER A 46 -16.443 6.273 2.482 1.00 0.00 H new ATOM 0 HG SER A 46 -15.835 5.756 4.655 1.00 0.00 H new ATOM 657 N LYS A 47 -15.883 4.383 -0.816 1.00 0.00 N ATOM 658 CA LYS A 47 -15.388 4.459 -2.202 1.00 0.00 C ATOM 659 C LYS A 47 -14.787 5.807 -2.664 1.00 0.00 C ATOM 660 O LYS A 47 -13.785 5.804 -3.378 1.00 0.00 O ATOM 661 CB LYS A 47 -16.480 3.916 -3.144 1.00 0.00 C ATOM 662 CG LYS A 47 -15.911 3.354 -4.458 1.00 0.00 C ATOM 663 CD LYS A 47 -16.921 2.412 -5.136 1.00 0.00 C ATOM 664 CE LYS A 47 -16.293 1.778 -6.380 1.00 0.00 C ATOM 665 NZ LYS A 47 -17.155 0.760 -7.012 1.00 0.00 N ATOM 0 H LYS A 47 -16.765 3.876 -0.741 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.501 3.827 -2.243 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.039 3.133 -2.631 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -17.186 4.714 -3.372 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -15.664 4.174 -5.132 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -14.984 2.816 -4.257 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -17.230 1.634 -4.438 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -17.818 2.966 -5.413 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -16.073 2.560 -7.107 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.342 1.320 -6.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -16.675 0.369 -7.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -17.345 -0.004 -6.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -18.053 1.197 -7.302 1.00 0.00 H new ATOM 679 N ARG A 48 -15.325 6.962 -2.251 1.00 0.00 N ATOM 680 CA ARG A 48 -14.694 8.270 -2.507 1.00 0.00 C ATOM 681 C ARG A 48 -13.359 8.370 -1.755 1.00 0.00 C ATOM 682 O ARG A 48 -12.316 8.670 -2.340 1.00 0.00 O ATOM 683 CB ARG A 48 -15.652 9.411 -2.094 1.00 0.00 C ATOM 684 CG ARG A 48 -15.459 10.750 -2.835 1.00 0.00 C ATOM 685 CD ARG A 48 -14.067 11.404 -2.803 1.00 0.00 C ATOM 686 NE ARG A 48 -13.563 11.710 -1.448 1.00 0.00 N ATOM 687 CZ ARG A 48 -12.467 12.448 -1.199 1.00 0.00 C ATOM 688 NH1 ARG A 48 -11.843 13.089 -2.181 1.00 0.00 N ATOM 689 NH2 ARG A 48 -11.988 12.543 0.033 1.00 0.00 N ATOM 0 H ARG A 48 -16.202 7.020 -1.734 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.490 8.366 -3.573 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.677 9.075 -2.251 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.536 9.589 -1.025 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -15.730 10.595 -3.879 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -16.172 11.464 -2.423 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -13.357 10.742 -3.300 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -14.100 12.327 -3.381 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.079 11.338 -0.651 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.194 13.024 -3.136 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -11.012 13.646 -1.980 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -12.451 12.055 0.799 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -11.156 13.105 0.215 1.00 0.00 H new ATOM 703 N GLN A 49 -13.399 8.134 -0.442 1.00 0.00 N ATOM 704 CA GLN A 49 -12.221 8.183 0.399 1.00 0.00 C ATOM 705 C GLN A 49 -11.207 7.188 -0.090 1.00 0.00 C ATOM 706 O GLN A 49 -10.041 7.518 -0.147 1.00 0.00 O ATOM 707 CB GLN A 49 -12.553 7.863 1.871 1.00 0.00 C ATOM 708 CG GLN A 49 -11.663 8.648 2.858 1.00 0.00 C ATOM 709 CD GLN A 49 -11.404 10.095 2.416 1.00 0.00 C ATOM 710 OE1 GLN A 49 -12.343 10.865 2.225 1.00 0.00 O ATOM 711 NE2 GLN A 49 -10.157 10.427 2.109 1.00 0.00 N ATOM 0 H GLN A 49 -14.256 7.904 0.061 1.00 0.00 H new ATOM 0 HA GLN A 49 -11.824 9.197 0.345 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.600 8.098 2.064 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -12.429 6.794 2.045 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -12.137 8.654 3.840 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.709 8.132 2.967 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.397 9.768 2.279 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.958 11.341 1.703 1.00 0.00 H new ATOM 720 N ALA A 50 -11.659 5.994 -0.459 1.00 0.00 N ATOM 721 CA ALA A 50 -10.831 4.966 -1.035 1.00 0.00 C ATOM 722 C ALA A 50 -10.035 5.521 -2.211 1.00 0.00 C ATOM 723 O ALA A 50 -8.802 5.467 -2.223 1.00 0.00 O ATOM 724 CB ALA A 50 -11.726 3.805 -1.466 1.00 0.00 C ATOM 0 H ALA A 50 -12.636 5.718 -0.359 1.00 0.00 H new ATOM 0 HA ALA A 50 -10.111 4.608 -0.299 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -11.114 3.017 -1.905 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -12.256 3.412 -0.598 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.448 4.156 -2.203 1.00 0.00 H new ATOM 730 N ARG A 51 -10.754 6.094 -3.180 1.00 0.00 N ATOM 731 CA ARG A 51 -10.130 6.694 -4.343 1.00 0.00 C ATOM 732 C ARG A 51 -9.110 7.734 -3.967 1.00 0.00 C ATOM 733 O ARG A 51 -8.047 7.718 -4.563 1.00 0.00 O ATOM 734 CB ARG A 51 -11.177 7.296 -5.291 1.00 0.00 C ATOM 735 CG ARG A 51 -11.680 6.205 -6.221 1.00 0.00 C ATOM 736 CD ARG A 51 -12.792 6.677 -7.155 1.00 0.00 C ATOM 737 NE ARG A 51 -12.834 5.821 -8.345 1.00 0.00 N ATOM 738 CZ ARG A 51 -13.084 4.507 -8.391 1.00 0.00 C ATOM 739 NH1 ARG A 51 -13.584 3.871 -7.334 1.00 0.00 N ATOM 740 NH2 ARG A 51 -12.790 3.833 -9.486 1.00 0.00 N ATOM 0 H ARG A 51 -11.772 6.151 -3.174 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.609 5.891 -4.864 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -12.005 7.717 -4.721 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.740 8.111 -5.867 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.847 5.832 -6.817 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.045 5.368 -5.625 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.751 6.646 -6.639 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -12.620 7.713 -7.446 1.00 0.00 H new ATOM 0 HE ARG A 51 -12.652 6.279 -9.238 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -13.781 4.385 -6.476 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -13.770 2.869 -7.382 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.377 4.314 -10.285 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -12.976 2.831 -9.534 1.00 0.00 H new ATOM 754 N GLU A 52 -9.371 8.597 -2.996 1.00 0.00 N ATOM 755 CA GLU A 52 -8.397 9.641 -2.685 1.00 0.00 C ATOM 756 C GLU A 52 -7.261 9.124 -1.835 1.00 0.00 C ATOM 757 O GLU A 52 -6.119 9.552 -2.022 1.00 0.00 O ATOM 758 CB GLU A 52 -9.087 10.816 -2.005 1.00 0.00 C ATOM 759 CG GLU A 52 -8.126 11.945 -1.588 1.00 0.00 C ATOM 760 CD GLU A 52 -8.927 12.926 -0.732 1.00 0.00 C ATOM 761 OE1 GLU A 52 -9.260 12.573 0.424 1.00 0.00 O ATOM 762 OE2 GLU A 52 -9.425 13.926 -1.290 1.00 0.00 O ATOM 0 H GLU A 52 -10.217 8.601 -2.426 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.963 9.978 -3.626 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.840 11.223 -2.680 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.613 10.455 -1.121 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.282 11.544 -1.026 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.716 12.445 -2.465 1.00 0.00 H new ATOM 769 N ASP A 53 -7.537 8.170 -0.952 1.00 0.00 N ATOM 770 CA ASP A 53 -6.519 7.488 -0.220 1.00 0.00 C ATOM 771 C ASP A 53 -5.610 6.814 -1.220 1.00 0.00 C ATOM 772 O ASP A 53 -4.458 6.622 -0.868 1.00 0.00 O ATOM 773 CB ASP A 53 -7.120 6.427 0.708 1.00 0.00 C ATOM 774 CG ASP A 53 -7.207 6.836 2.178 1.00 0.00 C ATOM 775 OD1 ASP A 53 -6.238 6.603 2.935 1.00 0.00 O ATOM 776 OD2 ASP A 53 -8.295 7.240 2.642 1.00 0.00 O ATOM 0 H ASP A 53 -8.484 7.859 -0.735 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.974 8.203 0.396 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -8.121 6.180 0.354 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.522 5.518 0.633 1.00 0.00 H new ATOM 781 N ILE A 54 -6.088 6.409 -2.402 1.00 0.00 N ATOM 782 CA ILE A 54 -5.254 5.863 -3.446 1.00 0.00 C ATOM 783 C ILE A 54 -4.588 6.966 -4.234 1.00 0.00 C ATOM 784 O ILE A 54 -3.385 6.900 -4.382 1.00 0.00 O ATOM 785 CB ILE A 54 -6.040 4.856 -4.341 1.00 0.00 C ATOM 786 CG1 ILE A 54 -5.361 3.491 -4.204 1.00 0.00 C ATOM 787 CG2 ILE A 54 -6.173 5.194 -5.843 1.00 0.00 C ATOM 788 CD1 ILE A 54 -5.763 2.797 -2.926 1.00 0.00 C ATOM 0 H ILE A 54 -7.076 6.457 -2.650 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.455 5.285 -2.982 1.00 0.00 H new ATOM 0 HB ILE A 54 -7.066 4.889 -3.973 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.625 2.866 -5.057 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -4.279 3.619 -4.225 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.742 4.410 -6.343 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.690 6.147 -5.957 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.181 5.264 -6.289 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.262 1.831 -2.863 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -5.476 3.411 -2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.843 2.646 -2.918 1.00 0.00 H new ATOM 800 N GLN A 55 -5.337 7.946 -4.732 1.00 0.00 N ATOM 801 CA GLN A 55 -4.879 8.992 -5.630 1.00 0.00 C ATOM 802 C GLN A 55 -3.945 9.963 -4.923 1.00 0.00 C ATOM 803 O GLN A 55 -3.363 10.831 -5.580 1.00 0.00 O ATOM 804 CB GLN A 55 -6.093 9.705 -6.249 1.00 0.00 C ATOM 805 CG GLN A 55 -6.658 8.876 -7.416 1.00 0.00 C ATOM 806 CD GLN A 55 -8.181 8.872 -7.547 1.00 0.00 C ATOM 807 OE1 GLN A 55 -8.892 9.778 -7.115 1.00 0.00 O ATOM 808 NE2 GLN A 55 -8.724 7.853 -8.195 1.00 0.00 N ATOM 0 H GLN A 55 -6.328 8.033 -4.507 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.299 8.541 -6.435 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -6.863 9.852 -5.491 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.802 10.694 -6.603 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.232 9.253 -8.346 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -6.318 7.846 -7.305 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.133 7.103 -8.553 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -9.734 7.818 -8.337 1.00 0.00 H new ATOM 817 N ASN A 56 -3.776 9.849 -3.602 1.00 0.00 N ATOM 818 CA ASN A 56 -2.779 10.625 -2.913 1.00 0.00 C ATOM 819 C ASN A 56 -1.391 10.050 -3.011 1.00 0.00 C ATOM 820 O ASN A 56 -1.150 8.918 -2.626 1.00 0.00 O ATOM 821 CB ASN A 56 -3.110 10.858 -1.427 1.00 0.00 C ATOM 822 CG ASN A 56 -3.791 12.195 -1.216 1.00 0.00 C ATOM 823 OD1 ASN A 56 -3.217 13.109 -0.631 1.00 0.00 O ATOM 824 ND2 ASN A 56 -4.991 12.353 -1.727 1.00 0.00 N ATOM 0 H ASN A 56 -4.320 9.227 -3.005 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.797 11.581 -3.436 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.756 10.058 -1.067 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.194 10.817 -0.838 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.467 13.251 -1.642 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.446 11.578 -2.208 1.00 0.00 H new ATOM 831 N GLY A 57 -0.422 10.911 -3.286 1.00 0.00 N ATOM 832 CA GLY A 57 0.987 10.608 -3.091 1.00 0.00 C ATOM 833 C GLY A 57 1.387 10.332 -1.637 1.00 0.00 C ATOM 834 O GLY A 57 2.582 10.237 -1.368 1.00 0.00 O ATOM 0 H GLY A 57 -0.594 11.847 -3.654 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.245 9.739 -3.696 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.579 11.443 -3.464 1.00 0.00 H new ATOM 838 N ALA A 58 0.433 10.221 -0.708 1.00 0.00 N ATOM 839 CA ALA A 58 0.646 9.769 0.651 1.00 0.00 C ATOM 840 C ALA A 58 0.624 8.245 0.735 1.00 0.00 C ATOM 841 O ALA A 58 1.035 7.718 1.764 1.00 0.00 O ATOM 842 CB ALA A 58 -0.440 10.337 1.568 1.00 0.00 C ATOM 0 H ALA A 58 -0.541 10.455 -0.899 1.00 0.00 H new ATOM 0 HA ALA A 58 1.626 10.123 0.971 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.272 9.992 2.588 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.404 11.426 1.543 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.418 9.998 1.227 1.00 0.00 H new ATOM 848 N ILE A 59 0.118 7.512 -0.261 1.00 0.00 N ATOM 849 CA ILE A 59 0.261 6.072 -0.345 1.00 0.00 C ATOM 850 C ILE A 59 1.500 5.800 -1.201 1.00 0.00 C ATOM 851 O ILE A 59 1.526 5.773 -2.434 1.00 0.00 O ATOM 852 CB ILE A 59 -1.120 5.531 -0.674 1.00 0.00 C ATOM 853 CG1 ILE A 59 -1.325 4.036 -0.674 1.00 0.00 C ATOM 854 CG2 ILE A 59 -1.745 6.142 -1.927 1.00 0.00 C ATOM 855 CD1 ILE A 59 -0.457 3.348 -1.679 1.00 0.00 C ATOM 0 H ILE A 59 -0.407 7.915 -1.037 1.00 0.00 H new ATOM 0 HA ILE A 59 0.508 5.500 0.549 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.654 5.875 0.212 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.111 3.641 0.319 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.371 3.814 -0.887 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.729 5.704 -2.093 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.845 7.219 -1.795 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -1.107 5.939 -2.787 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.639 2.274 -1.643 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.689 3.722 -2.676 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.590 3.546 -1.452 1.00 0.00 H new ATOM 867 N TYR A 60 2.587 5.668 -0.456 1.00 0.00 N ATOM 868 CA TYR A 60 3.843 5.168 -0.934 1.00 0.00 C ATOM 869 C TYR A 60 3.706 3.649 -0.985 1.00 0.00 C ATOM 870 O TYR A 60 3.559 3.015 0.048 1.00 0.00 O ATOM 871 CB TYR A 60 4.954 5.708 -0.018 1.00 0.00 C ATOM 872 CG TYR A 60 5.030 7.225 0.139 1.00 0.00 C ATOM 873 CD1 TYR A 60 4.246 7.903 1.098 1.00 0.00 C ATOM 874 CD2 TYR A 60 5.931 7.968 -0.641 1.00 0.00 C ATOM 875 CE1 TYR A 60 4.379 9.289 1.286 1.00 0.00 C ATOM 876 CE2 TYR A 60 6.050 9.361 -0.486 1.00 0.00 C ATOM 877 CZ TYR A 60 5.275 10.031 0.486 1.00 0.00 C ATOM 878 OH TYR A 60 5.391 11.376 0.671 1.00 0.00 O ATOM 0 H TYR A 60 2.607 5.919 0.533 1.00 0.00 H new ATOM 0 HA TYR A 60 4.115 5.499 -1.936 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.824 5.269 0.971 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.912 5.356 -0.400 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.536 7.349 1.694 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.543 7.461 -1.372 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.794 9.788 2.045 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.734 9.918 -1.110 1.00 0.00 H new ATOM 0 HH TYR A 60 6.050 11.737 0.042 1.00 0.00 H new ATOM 888 N VAL A 61 3.644 3.037 -2.161 1.00 0.00 N ATOM 889 CA VAL A 61 3.639 1.586 -2.265 1.00 0.00 C ATOM 890 C VAL A 61 5.074 1.134 -2.335 1.00 0.00 C ATOM 891 O VAL A 61 5.823 1.561 -3.213 1.00 0.00 O ATOM 892 CB VAL A 61 2.843 1.046 -3.455 1.00 0.00 C ATOM 893 CG1 VAL A 61 2.684 -0.467 -3.296 1.00 0.00 C ATOM 894 CG2 VAL A 61 1.437 1.606 -3.401 1.00 0.00 C ATOM 0 H VAL A 61 3.597 3.525 -3.056 1.00 0.00 H new ATOM 0 HA VAL A 61 3.131 1.185 -1.388 1.00 0.00 H new ATOM 0 HB VAL A 61 3.358 1.314 -4.378 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.118 -0.864 -4.139 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.668 -0.935 -3.267 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.153 -0.682 -2.369 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.862 1.227 -4.245 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.959 1.301 -2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.477 2.694 -3.449 1.00 0.00 H new ATOM 904 N ASN A 62 5.439 0.240 -1.423 1.00 0.00 N ATOM 905 CA ASN A 62 6.793 -0.265 -1.281 1.00 0.00 C ATOM 906 C ASN A 62 7.788 0.887 -1.304 1.00 0.00 C ATOM 907 O ASN A 62 8.678 0.980 -2.145 1.00 0.00 O ATOM 908 CB ASN A 62 7.085 -1.336 -2.303 1.00 0.00 C ATOM 909 CG ASN A 62 6.334 -2.596 -1.912 1.00 0.00 C ATOM 910 OD1 ASN A 62 6.535 -3.185 -0.862 1.00 0.00 O ATOM 911 ND2 ASN A 62 5.354 -2.965 -2.697 1.00 0.00 N ATOM 0 H ASN A 62 4.786 -0.160 -0.749 1.00 0.00 H new ATOM 0 HA ASN A 62 6.898 -0.750 -0.310 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.779 -1.006 -3.295 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.156 -1.533 -2.349 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.755 -3.747 -2.432 1.00 0.00 H new ATOM 0 HD22 ASN A 62 5.189 -2.470 -3.574 1.00 0.00 H new ATOM 918 N GLY A 63 7.569 1.793 -0.367 1.00 0.00 N ATOM 919 CA GLY A 63 8.374 2.976 -0.131 1.00 0.00 C ATOM 920 C GLY A 63 8.256 4.049 -1.216 1.00 0.00 C ATOM 921 O GLY A 63 8.968 5.049 -1.115 1.00 0.00 O ATOM 0 H GLY A 63 6.785 1.718 0.282 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.086 3.411 0.826 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.419 2.678 -0.044 1.00 0.00 H new ATOM 925 N GLU A 64 7.391 3.908 -2.230 1.00 0.00 N ATOM 926 CA GLU A 64 7.415 4.751 -3.420 1.00 0.00 C ATOM 927 C GLU A 64 6.020 5.280 -3.724 1.00 0.00 C ATOM 928 O GLU A 64 5.089 4.503 -3.874 1.00 0.00 O ATOM 929 CB GLU A 64 8.010 3.956 -4.578 1.00 0.00 C ATOM 930 CG GLU A 64 8.105 4.817 -5.838 1.00 0.00 C ATOM 931 CD GLU A 64 8.836 4.137 -6.991 1.00 0.00 C ATOM 932 OE1 GLU A 64 8.850 2.891 -7.082 1.00 0.00 O ATOM 933 OE2 GLU A 64 9.423 4.865 -7.826 1.00 0.00 O ATOM 0 H GLU A 64 6.655 3.202 -2.242 1.00 0.00 H new ATOM 0 HA GLU A 64 8.046 5.624 -3.254 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.001 3.594 -4.305 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.394 3.079 -4.777 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.099 5.082 -6.163 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.617 5.748 -5.594 1.00 0.00 H new ATOM 940 N ARG A 65 5.851 6.600 -3.764 1.00 0.00 N ATOM 941 CA ARG A 65 4.592 7.314 -3.977 1.00 0.00 C ATOM 942 C ARG A 65 3.915 6.830 -5.255 1.00 0.00 C ATOM 943 O ARG A 65 4.289 7.273 -6.339 1.00 0.00 O ATOM 944 CB ARG A 65 4.940 8.815 -3.989 1.00 0.00 C ATOM 945 CG ARG A 65 3.897 9.778 -4.573 1.00 0.00 C ATOM 946 CD ARG A 65 4.416 10.393 -5.887 1.00 0.00 C ATOM 947 NE ARG A 65 3.700 11.609 -6.293 1.00 0.00 N ATOM 948 CZ ARG A 65 4.178 12.506 -7.166 1.00 0.00 C ATOM 949 NH1 ARG A 65 5.260 12.242 -7.896 1.00 0.00 N ATOM 950 NH2 ARG A 65 3.584 13.683 -7.283 1.00 0.00 N ATOM 0 H ARG A 65 6.636 7.239 -3.641 1.00 0.00 H new ATOM 0 HA ARG A 65 3.866 7.123 -3.186 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.144 9.122 -2.963 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.866 8.941 -4.550 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.963 9.247 -4.756 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.679 10.568 -3.855 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.475 10.626 -5.775 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.335 9.652 -6.682 1.00 0.00 H new ATOM 0 HE ARG A 65 2.781 11.782 -5.885 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.737 11.346 -7.795 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.611 12.935 -8.556 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.768 13.902 -6.711 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.942 14.371 -7.945 1.00 0.00 H new ATOM 964 N LEU A 66 2.913 5.955 -5.152 1.00 0.00 N ATOM 965 CA LEU A 66 2.338 5.280 -6.305 1.00 0.00 C ATOM 966 C LEU A 66 0.828 5.288 -6.066 1.00 0.00 C ATOM 967 O LEU A 66 0.334 4.651 -5.143 1.00 0.00 O ATOM 968 CB LEU A 66 2.966 3.898 -6.481 1.00 0.00 C ATOM 969 CG LEU A 66 4.425 3.928 -6.963 1.00 0.00 C ATOM 970 CD1 LEU A 66 5.007 2.543 -6.747 1.00 0.00 C ATOM 971 CD2 LEU A 66 4.609 4.289 -8.437 1.00 0.00 C ATOM 0 H LEU A 66 2.481 5.698 -4.265 1.00 0.00 H new ATOM 0 HA LEU A 66 2.544 5.775 -7.254 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.920 3.366 -5.531 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.371 3.328 -7.195 1.00 0.00 H new ATOM 0 HG LEU A 66 4.926 4.710 -6.392 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.045 2.529 -7.079 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.962 2.290 -5.688 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.433 1.814 -7.319 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.671 4.284 -8.683 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.090 3.559 -9.058 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.198 5.281 -8.623 1.00 0.00 H new ATOM 983 N GLN A 67 0.114 6.105 -6.836 1.00 0.00 N ATOM 984 CA GLN A 67 -1.251 6.544 -6.610 1.00 0.00 C ATOM 985 C GLN A 67 -2.089 6.523 -7.903 1.00 0.00 C ATOM 986 O GLN A 67 -2.907 7.410 -8.143 1.00 0.00 O ATOM 987 CB GLN A 67 -1.215 7.916 -5.879 1.00 0.00 C ATOM 988 CG GLN A 67 -0.375 9.088 -6.376 1.00 0.00 C ATOM 989 CD GLN A 67 0.406 8.857 -7.670 1.00 0.00 C ATOM 990 OE1 GLN A 67 -0.156 8.819 -8.755 1.00 0.00 O ATOM 991 NE2 GLN A 67 1.707 8.601 -7.613 1.00 0.00 N ATOM 0 H GLN A 67 0.505 6.502 -7.691 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.772 5.842 -5.959 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.245 8.270 -5.829 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.897 7.716 -4.856 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.034 9.944 -6.521 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.332 9.359 -5.592 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.193 8.628 -6.717 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.221 8.377 -8.465 1.00 0.00 H new ATOM 1000 N ASP A 68 -1.891 5.514 -8.756 1.00 0.00 N ATOM 1001 CA ASP A 68 -2.685 5.243 -9.953 1.00 0.00 C ATOM 1002 C ASP A 68 -2.846 3.733 -10.153 1.00 0.00 C ATOM 1003 O ASP A 68 -2.041 2.949 -9.652 1.00 0.00 O ATOM 1004 CB ASP A 68 -1.965 5.844 -11.155 1.00 0.00 C ATOM 1005 CG ASP A 68 -2.866 5.857 -12.388 1.00 0.00 C ATOM 1006 OD1 ASP A 68 -3.741 6.740 -12.501 1.00 0.00 O ATOM 1007 OD2 ASP A 68 -2.766 4.939 -13.232 1.00 0.00 O ATOM 0 H ASP A 68 -1.140 4.836 -8.624 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.675 5.685 -9.844 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.648 6.861 -10.922 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.063 5.270 -11.366 1.00 0.00 H new ATOM 1012 N VAL A 69 -3.853 3.299 -10.903 1.00 0.00 N ATOM 1013 CA VAL A 69 -4.090 1.889 -11.220 1.00 0.00 C ATOM 1014 C VAL A 69 -3.017 1.329 -12.156 1.00 0.00 C ATOM 1015 O VAL A 69 -2.591 0.188 -12.007 1.00 0.00 O ATOM 1016 CB VAL A 69 -5.528 1.798 -11.760 1.00 0.00 C ATOM 1017 CG1 VAL A 69 -5.726 2.326 -13.186 1.00 0.00 C ATOM 1018 CG2 VAL A 69 -6.081 0.387 -11.645 1.00 0.00 C ATOM 0 H VAL A 69 -4.542 3.927 -11.317 1.00 0.00 H new ATOM 0 HA VAL A 69 -4.006 1.254 -10.338 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.094 2.471 -11.115 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.772 2.217 -13.472 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.446 3.379 -13.226 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.100 1.758 -13.874 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.098 0.362 -12.036 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.455 -0.297 -12.218 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.087 0.083 -10.598 1.00 0.00 H new ATOM 1028 N GLY A 70 -2.498 2.165 -13.050 1.00 0.00 N ATOM 1029 CA GLY A 70 -1.320 1.856 -13.841 1.00 0.00 C ATOM 1030 C GLY A 70 -0.032 1.974 -13.038 1.00 0.00 C ATOM 1031 O GLY A 70 1.033 1.616 -13.538 1.00 0.00 O ATOM 0 H GLY A 70 -2.891 3.086 -13.245 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.407 0.844 -14.236 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.274 2.529 -14.697 1.00 0.00 H new ATOM 1035 N ALA A 71 -0.103 2.490 -11.809 1.00 0.00 N ATOM 1036 CA ALA A 71 1.010 2.478 -10.882 1.00 0.00 C ATOM 1037 C ALA A 71 1.055 1.129 -10.167 1.00 0.00 C ATOM 1038 O ALA A 71 2.103 0.490 -10.251 1.00 0.00 O ATOM 1039 CB ALA A 71 1.019 3.690 -9.945 1.00 0.00 C ATOM 0 H ALA A 71 -0.944 2.929 -11.435 1.00 0.00 H new ATOM 0 HA ALA A 71 1.940 2.584 -11.440 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.876 3.625 -9.274 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.088 4.605 -10.534 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.100 3.704 -9.359 1.00 0.00 H new ATOM 1045 N ILE A 72 -0.006 0.654 -9.490 1.00 0.00 N ATOM 1046 CA ILE A 72 -0.022 -0.658 -8.843 1.00 0.00 C ATOM 1047 C ILE A 72 -1.354 -1.370 -9.042 1.00 0.00 C ATOM 1048 O ILE A 72 -2.416 -0.749 -8.958 1.00 0.00 O ATOM 1049 CB ILE A 72 0.212 -0.560 -7.330 1.00 0.00 C ATOM 1050 CG1 ILE A 72 1.150 0.583 -6.936 1.00 0.00 C ATOM 1051 CG2 ILE A 72 0.762 -1.879 -6.746 1.00 0.00 C ATOM 1052 CD1 ILE A 72 0.334 1.817 -6.536 1.00 0.00 C ATOM 0 H ILE A 72 -0.876 1.175 -9.380 1.00 0.00 H new ATOM 0 HA ILE A 72 0.786 -1.219 -9.313 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.772 -0.354 -6.908 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.786 0.273 -6.107 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.809 0.827 -7.769 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.913 -1.766 -5.672 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.050 -2.683 -6.930 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.712 -2.120 -7.223 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.010 2.625 -6.257 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.283 2.134 -7.377 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.306 1.571 -5.689 1.00 0.00 H new ATOM 1064 N LEU A 73 -1.273 -2.696 -9.156 1.00 0.00 N ATOM 1065 CA LEU A 73 -2.373 -3.602 -9.015 1.00 0.00 C ATOM 1066 C LEU A 73 -2.010 -4.430 -7.782 1.00 0.00 C ATOM 1067 O LEU A 73 -2.136 -3.911 -6.676 1.00 0.00 O ATOM 1068 CB LEU A 73 -2.655 -4.321 -10.333 1.00 0.00 C ATOM 1069 CG LEU A 73 -3.008 -3.318 -11.456 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -3.107 -4.042 -12.789 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -4.321 -2.586 -11.235 1.00 0.00 C ATOM 0 H LEU A 73 -0.393 -3.171 -9.358 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.348 -3.151 -8.831 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -1.782 -4.905 -10.625 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.478 -5.023 -10.198 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.205 -2.581 -11.450 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.356 -3.327 -13.574 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.152 -4.514 -13.018 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.884 -4.804 -12.732 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.500 -1.901 -12.064 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.135 -3.308 -11.179 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.271 -2.023 -10.303 1.00 0.00 H new ATOM 1083 N THR A 74 -1.462 -5.633 -7.925 1.00 0.00 N ATOM 1084 CA THR A 74 -1.192 -6.543 -6.813 1.00 0.00 C ATOM 1085 C THR A 74 0.240 -6.474 -6.282 1.00 0.00 C ATOM 1086 O THR A 74 1.075 -5.697 -6.745 1.00 0.00 O ATOM 1087 CB THR A 74 -1.555 -7.969 -7.270 1.00 0.00 C ATOM 1088 OG1 THR A 74 -1.313 -8.132 -8.657 1.00 0.00 O ATOM 1089 CG2 THR A 74 -3.027 -8.176 -6.954 1.00 0.00 C ATOM 0 H THR A 74 -1.188 -6.011 -8.832 1.00 0.00 H new ATOM 0 HA THR A 74 -1.807 -6.236 -5.967 1.00 0.00 H new ATOM 0 HB THR A 74 -0.941 -8.706 -6.752 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.259 -9.087 -8.870 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.328 -9.177 -7.262 1.00 0.00 H new ATOM 0 HG22 THR A 74 -3.188 -8.063 -5.882 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.622 -7.437 -7.491 1.00 0.00 H new ATOM 1097 N ALA A 75 0.543 -7.325 -5.301 1.00 0.00 N ATOM 1098 CA ALA A 75 1.878 -7.510 -4.771 1.00 0.00 C ATOM 1099 C ALA A 75 2.895 -7.850 -5.853 1.00 0.00 C ATOM 1100 O ALA A 75 3.940 -7.207 -5.920 1.00 0.00 O ATOM 1101 CB ALA A 75 1.825 -8.605 -3.702 1.00 0.00 C ATOM 0 H ALA A 75 -0.155 -7.915 -4.848 1.00 0.00 H new ATOM 0 HA ALA A 75 2.213 -6.570 -4.333 1.00 0.00 H new ATOM 0 HB1 ALA A 75 2.822 -8.760 -3.290 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.146 -8.303 -2.905 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.469 -9.533 -4.149 1.00 0.00 H new ATOM 1107 N GLU A 76 2.567 -8.819 -6.709 1.00 0.00 N ATOM 1108 CA GLU A 76 3.362 -9.216 -7.873 1.00 0.00 C ATOM 1109 C GLU A 76 3.538 -8.095 -8.890 1.00 0.00 C ATOM 1110 O GLU A 76 4.433 -8.148 -9.730 1.00 0.00 O ATOM 1111 CB GLU A 76 2.688 -10.416 -8.563 1.00 0.00 C ATOM 1112 CG GLU A 76 1.350 -10.022 -9.224 1.00 0.00 C ATOM 1113 CD GLU A 76 0.271 -11.107 -9.263 1.00 0.00 C ATOM 1114 OE1 GLU A 76 0.569 -12.312 -9.080 1.00 0.00 O ATOM 1115 OE2 GLU A 76 -0.919 -10.730 -9.405 1.00 0.00 O ATOM 0 H GLU A 76 1.713 -9.367 -6.608 1.00 0.00 H new ATOM 0 HA GLU A 76 4.354 -9.477 -7.505 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.359 -10.825 -9.318 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.513 -11.205 -7.831 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.948 -9.158 -8.695 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.553 -9.704 -10.247 1.00 0.00 H new ATOM 1122 N HIS A 77 2.663 -7.095 -8.841 1.00 0.00 N ATOM 1123 CA HIS A 77 2.745 -5.964 -9.732 1.00 0.00 C ATOM 1124 C HIS A 77 3.723 -4.941 -9.155 1.00 0.00 C ATOM 1125 O HIS A 77 4.218 -4.114 -9.923 1.00 0.00 O ATOM 1126 CB HIS A 77 1.337 -5.403 -9.930 1.00 0.00 C ATOM 1127 CG HIS A 77 1.213 -4.291 -10.928 1.00 0.00 C ATOM 1128 ND1 HIS A 77 1.598 -2.990 -10.716 1.00 0.00 N ATOM 1129 CD2 HIS A 77 0.379 -4.305 -12.007 1.00 0.00 C ATOM 1130 CE1 HIS A 77 0.934 -2.228 -11.597 1.00 0.00 C ATOM 1131 NE2 HIS A 77 0.209 -2.986 -12.430 1.00 0.00 N ATOM 0 H HIS A 77 1.885 -7.054 -8.183 1.00 0.00 H new ATOM 0 HA HIS A 77 3.128 -6.249 -10.712 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.682 -6.218 -10.238 1.00 0.00 H new ATOM 0 HB3 HIS A 77 0.970 -5.045 -8.968 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.069 -5.180 -12.454 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.978 -1.149 -11.630 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -0.355 -2.664 -13.216 1.00 0.00 H new ATOM 1139 N ARG A 78 4.044 -4.975 -7.849 1.00 0.00 N ATOM 1140 CA ARG A 78 5.013 -4.047 -7.275 1.00 0.00 C ATOM 1141 C ARG A 78 6.362 -4.760 -7.241 1.00 0.00 C ATOM 1142 O ARG A 78 7.239 -4.370 -8.010 1.00 0.00 O ATOM 1143 CB ARG A 78 4.562 -3.455 -5.921 1.00 0.00 C ATOM 1144 CG ARG A 78 4.667 -1.910 -5.775 1.00 0.00 C ATOM 1145 CD ARG A 78 5.766 -1.133 -6.531 1.00 0.00 C ATOM 1146 NE ARG A 78 7.146 -1.580 -6.253 1.00 0.00 N ATOM 1147 CZ ARG A 78 8.161 -0.812 -5.821 1.00 0.00 C ATOM 1148 NH1 ARG A 78 7.956 0.371 -5.249 1.00 0.00 N ATOM 1149 NH2 ARG A 78 9.405 -1.250 -5.949 1.00 0.00 N ATOM 0 H ARG A 78 3.645 -5.634 -7.181 1.00 0.00 H new ATOM 0 HA ARG A 78 5.102 -3.158 -7.899 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.526 -3.745 -5.749 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.157 -3.914 -5.132 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.708 -1.491 -6.078 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.789 -1.693 -4.714 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.580 -1.219 -7.602 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.684 -0.076 -6.277 1.00 0.00 H new ATOM 0 HE ARG A 78 7.349 -2.568 -6.404 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.006 0.721 -5.127 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.749 0.929 -4.932 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.584 -2.161 -6.372 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.184 -0.676 -5.625 1.00 0.00 H new ATOM 1163 N LEU A 79 6.596 -5.708 -6.327 1.00 0.00 N ATOM 1164 CA LEU A 79 7.764 -6.550 -6.279 1.00 0.00 C ATOM 1165 C LEU A 79 7.541 -7.843 -7.053 1.00 0.00 C ATOM 1166 O LEU A 79 6.408 -8.200 -7.341 1.00 0.00 O ATOM 1167 CB LEU A 79 8.133 -6.811 -4.816 1.00 0.00 C ATOM 1168 CG LEU A 79 7.040 -6.938 -3.745 1.00 0.00 C ATOM 1169 CD1 LEU A 79 7.379 -8.098 -2.806 1.00 0.00 C ATOM 1170 CD2 LEU A 79 7.012 -5.644 -2.934 1.00 0.00 C ATOM 0 H LEU A 79 5.938 -5.906 -5.573 1.00 0.00 H new ATOM 0 HA LEU A 79 8.599 -6.043 -6.762 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.716 -7.732 -4.791 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.797 -6.005 -4.503 1.00 0.00 H new ATOM 0 HG LEU A 79 6.074 -7.119 -4.217 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.604 -8.189 -2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.437 -9.024 -3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.339 -7.908 -2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 79 6.241 -5.712 -2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.982 -5.490 -2.462 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.792 -4.805 -3.595 1.00 0.00 H new ATOM 1182 N GLU A 80 8.636 -8.582 -7.244 1.00 0.00 N ATOM 1183 CA GLU A 80 8.786 -9.900 -7.862 1.00 0.00 C ATOM 1184 C GLU A 80 7.528 -10.782 -7.872 1.00 0.00 C ATOM 1185 O GLU A 80 7.156 -11.314 -8.919 1.00 0.00 O ATOM 1186 CB GLU A 80 9.983 -10.610 -7.187 1.00 0.00 C ATOM 1187 CG GLU A 80 9.795 -10.891 -5.677 1.00 0.00 C ATOM 1188 CD GLU A 80 11.071 -11.295 -4.942 1.00 0.00 C ATOM 1189 OE1 GLU A 80 12.162 -10.755 -5.221 1.00 0.00 O ATOM 1190 OE2 GLU A 80 10.989 -12.089 -3.979 1.00 0.00 O ATOM 0 H GLU A 80 9.542 -8.230 -6.933 1.00 0.00 H new ATOM 0 HA GLU A 80 8.970 -9.735 -8.924 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.165 -11.555 -7.699 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.875 -9.998 -7.321 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.385 -9.999 -5.203 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.056 -11.683 -5.558 1.00 0.00 H new ATOM 1197 N GLY A 81 6.897 -10.973 -6.713 1.00 0.00 N ATOM 1198 CA GLY A 81 5.847 -11.948 -6.498 1.00 0.00 C ATOM 1199 C GLY A 81 5.792 -12.344 -5.028 1.00 0.00 C ATOM 1200 O GLY A 81 5.956 -13.522 -4.701 1.00 0.00 O ATOM 0 H GLY A 81 7.115 -10.432 -5.876 1.00 0.00 H new ATOM 0 HA2 GLY A 81 4.887 -11.534 -6.807 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.027 -12.829 -7.113 1.00 0.00 H new ATOM 1204 N ARG A 82 5.627 -11.369 -4.118 1.00 0.00 N ATOM 1205 CA ARG A 82 5.454 -11.702 -2.697 1.00 0.00 C ATOM 1206 C ARG A 82 4.341 -10.889 -2.057 1.00 0.00 C ATOM 1207 O ARG A 82 3.209 -11.353 -1.996 1.00 0.00 O ATOM 1208 CB ARG A 82 6.785 -11.635 -1.907 1.00 0.00 C ATOM 1209 CG ARG A 82 7.636 -12.906 -2.007 1.00 0.00 C ATOM 1210 CD ARG A 82 6.945 -14.062 -1.274 1.00 0.00 C ATOM 1211 NE ARG A 82 6.618 -15.188 -2.167 1.00 0.00 N ATOM 1212 CZ ARG A 82 6.758 -16.476 -1.834 1.00 0.00 C ATOM 1213 NH1 ARG A 82 7.532 -16.828 -0.811 1.00 0.00 N ATOM 1214 NH2 ARG A 82 6.146 -17.438 -2.510 1.00 0.00 N ATOM 0 H ARG A 82 5.610 -10.372 -4.333 1.00 0.00 H new ATOM 0 HA ARG A 82 5.138 -12.744 -2.651 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.369 -10.790 -2.271 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.563 -11.441 -0.858 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.789 -13.169 -3.054 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.621 -12.728 -1.575 1.00 0.00 H new ATOM 0 HD2 ARG A 82 7.592 -14.416 -0.472 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.030 -13.696 -0.808 1.00 0.00 H new ATOM 0 HE ARG A 82 6.262 -14.971 -3.098 1.00 0.00 H new ATOM 0 HH11 ARG A 82 8.024 -16.114 -0.274 1.00 0.00 H new ATOM 0 HH12 ARG A 82 7.634 -17.812 -0.563 1.00 0.00 H new ATOM 0 HH21 ARG A 82 5.551 -17.204 -3.305 1.00 0.00 H new ATOM 0 HH22 ARG A 82 6.270 -18.412 -2.235 1.00 0.00 H new ATOM 1228 N PHE A 83 4.661 -9.708 -1.544 1.00 0.00 N ATOM 1229 CA PHE A 83 3.786 -8.904 -0.699 1.00 0.00 C ATOM 1230 C PHE A 83 3.794 -7.487 -1.248 1.00 0.00 C ATOM 1231 O PHE A 83 4.342 -7.246 -2.323 1.00 0.00 O ATOM 1232 CB PHE A 83 4.300 -8.904 0.749 1.00 0.00 C ATOM 1233 CG PHE A 83 4.398 -10.224 1.487 1.00 0.00 C ATOM 1234 CD1 PHE A 83 3.551 -11.309 1.184 1.00 0.00 C ATOM 1235 CD2 PHE A 83 5.327 -10.341 2.538 1.00 0.00 C ATOM 1236 CE1 PHE A 83 3.672 -12.517 1.887 1.00 0.00 C ATOM 1237 CE2 PHE A 83 5.442 -11.545 3.247 1.00 0.00 C ATOM 1238 CZ PHE A 83 4.627 -12.633 2.907 1.00 0.00 C ATOM 0 H PHE A 83 5.566 -9.269 -1.710 1.00 0.00 H new ATOM 0 HA PHE A 83 2.776 -9.314 -0.701 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.292 -8.452 0.748 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.652 -8.248 1.330 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.806 -11.210 0.408 1.00 0.00 H new ATOM 0 HD2 PHE A 83 5.953 -9.501 2.799 1.00 0.00 H new ATOM 0 HE1 PHE A 83 3.033 -13.353 1.644 1.00 0.00 H new ATOM 0 HE2 PHE A 83 6.156 -11.634 4.052 1.00 0.00 H new ATOM 0 HZ PHE A 83 4.735 -13.569 3.435 1.00 0.00 H new ATOM 1248 N THR A 84 3.222 -6.527 -0.535 1.00 0.00 N ATOM 1249 CA THR A 84 3.428 -5.125 -0.824 1.00 0.00 C ATOM 1250 C THR A 84 3.137 -4.300 0.429 1.00 0.00 C ATOM 1251 O THR A 84 2.128 -4.526 1.100 1.00 0.00 O ATOM 1252 CB THR A 84 2.539 -4.788 -2.037 1.00 0.00 C ATOM 1253 OG1 THR A 84 3.370 -4.896 -3.171 1.00 0.00 O ATOM 1254 CG2 THR A 84 1.907 -3.404 -2.033 1.00 0.00 C ATOM 0 H THR A 84 2.604 -6.703 0.257 1.00 0.00 H new ATOM 0 HA THR A 84 4.458 -4.886 -1.088 1.00 0.00 H new ATOM 0 HB THR A 84 1.696 -5.478 -2.021 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.953 -5.678 -3.076 1.00 0.00 H new ATOM 0 HG21 THR A 84 1.304 -3.277 -2.932 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.273 -3.296 -1.153 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.690 -2.646 -2.011 1.00 0.00 H new ATOM 1262 N VAL A 85 4.009 -3.336 0.734 1.00 0.00 N ATOM 1263 CA VAL A 85 3.729 -2.314 1.735 1.00 0.00 C ATOM 1264 C VAL A 85 2.835 -1.261 1.102 1.00 0.00 C ATOM 1265 O VAL A 85 3.100 -0.795 -0.007 1.00 0.00 O ATOM 1266 CB VAL A 85 5.004 -1.610 2.236 1.00 0.00 C ATOM 1267 CG1 VAL A 85 4.708 -0.863 3.547 1.00 0.00 C ATOM 1268 CG2 VAL A 85 6.144 -2.585 2.484 1.00 0.00 C ATOM 0 H VAL A 85 4.925 -3.245 0.294 1.00 0.00 H new ATOM 0 HA VAL A 85 3.257 -2.805 2.586 1.00 0.00 H new ATOM 0 HB VAL A 85 5.311 -0.916 1.454 1.00 0.00 H new ATOM 0 HG11 VAL A 85 5.614 -0.367 3.896 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.931 -0.119 3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.369 -1.573 4.302 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.020 -2.039 2.836 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.843 -3.313 3.238 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.388 -3.103 1.557 1.00 0.00 H new ATOM 1278 N ILE A 86 1.848 -0.809 1.856 1.00 0.00 N ATOM 1279 CA ILE A 86 1.003 0.322 1.568 1.00 0.00 C ATOM 1280 C ILE A 86 1.329 1.363 2.612 1.00 0.00 C ATOM 1281 O ILE A 86 0.762 1.374 3.704 1.00 0.00 O ATOM 1282 CB ILE A 86 -0.440 -0.162 1.664 1.00 0.00 C ATOM 1283 CG1 ILE A 86 -0.812 -1.081 0.483 1.00 0.00 C ATOM 1284 CG2 ILE A 86 -1.413 1.014 1.686 1.00 0.00 C ATOM 1285 CD1 ILE A 86 -0.784 -0.369 -0.879 1.00 0.00 C ATOM 0 H ILE A 86 1.605 -1.255 2.741 1.00 0.00 H new ATOM 0 HA ILE A 86 1.152 0.751 0.577 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.517 -0.724 2.595 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.122 -1.924 0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.809 -1.489 0.650 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.434 0.640 1.755 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.200 1.647 2.547 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.301 1.596 0.771 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.056 -1.075 -1.664 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.495 0.458 -0.872 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.218 0.016 -1.068 1.00 0.00 H new ATOM 1297 N ARG A 87 2.254 2.250 2.293 1.00 0.00 N ATOM 1298 CA ARG A 87 2.893 3.096 3.281 1.00 0.00 C ATOM 1299 C ARG A 87 2.139 4.421 3.210 1.00 0.00 C ATOM 1300 O ARG A 87 2.579 5.363 2.561 1.00 0.00 O ATOM 1301 CB ARG A 87 4.422 3.119 3.024 1.00 0.00 C ATOM 1302 CG ARG A 87 5.285 3.915 4.006 1.00 0.00 C ATOM 1303 CD ARG A 87 6.620 4.345 3.382 1.00 0.00 C ATOM 1304 NE ARG A 87 7.339 5.318 4.222 1.00 0.00 N ATOM 1305 CZ ARG A 87 6.996 6.599 4.415 1.00 0.00 C ATOM 1306 NH1 ARG A 87 5.909 7.109 3.841 1.00 0.00 N ATOM 1307 NH2 ARG A 87 7.752 7.373 5.178 1.00 0.00 N ATOM 0 H ARG A 87 2.583 2.403 1.340 1.00 0.00 H new ATOM 0 HA ARG A 87 2.834 2.751 4.313 1.00 0.00 H new ATOM 0 HB2 ARG A 87 4.779 2.089 3.019 1.00 0.00 H new ATOM 0 HB3 ARG A 87 4.590 3.520 2.025 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.738 4.798 4.336 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.477 3.310 4.892 1.00 0.00 H new ATOM 0 HD2 ARG A 87 7.247 3.467 3.229 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.436 4.781 2.400 1.00 0.00 H new ATOM 0 HE ARG A 87 8.176 4.986 4.701 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.324 6.523 3.245 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.660 8.086 3.997 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.591 6.994 5.616 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.495 8.349 5.328 1.00 0.00 H new ATOM 1321 N ARG A 88 0.921 4.427 3.760 1.00 0.00 N ATOM 1322 CA ARG A 88 -0.131 5.418 3.702 1.00 0.00 C ATOM 1323 C ARG A 88 0.046 6.437 4.831 1.00 0.00 C ATOM 1324 O ARG A 88 -0.311 6.144 5.974 1.00 0.00 O ATOM 1325 CB ARG A 88 -1.417 4.609 3.856 1.00 0.00 C ATOM 1326 CG ARG A 88 -2.733 5.398 3.931 1.00 0.00 C ATOM 1327 CD ARG A 88 -3.039 6.248 2.692 1.00 0.00 C ATOM 1328 NE ARG A 88 -3.774 5.582 1.601 1.00 0.00 N ATOM 1329 CZ ARG A 88 -3.880 4.320 1.179 1.00 0.00 C ATOM 1330 NH1 ARG A 88 -3.318 3.308 1.810 1.00 0.00 N ATOM 1331 NH2 ARG A 88 -4.534 4.051 0.064 1.00 0.00 N ATOM 0 H ARG A 88 0.624 3.632 4.325 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.132 5.996 2.778 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.484 3.917 3.017 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -1.332 4.006 4.760 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -3.553 4.697 4.086 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.701 6.050 4.804 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.614 7.118 3.009 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.095 6.618 2.291 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.326 6.233 1.042 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.775 3.473 2.658 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.426 2.360 1.451 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -4.958 4.807 -0.474 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.616 3.087 -0.259 1.00 0.00 H new ATOM 1345 N GLY A 89 0.509 7.648 4.531 1.00 0.00 N ATOM 1346 CA GLY A 89 0.701 8.721 5.509 1.00 0.00 C ATOM 1347 C GLY A 89 -0.517 8.990 6.409 1.00 0.00 C ATOM 1348 O GLY A 89 -0.344 9.350 7.570 1.00 0.00 O ATOM 0 H GLY A 89 0.767 7.919 3.582 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.555 8.472 6.139 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.954 9.639 4.978 1.00 0.00 H new ATOM 1352 N LYS A 90 -1.743 8.765 5.914 1.00 0.00 N ATOM 1353 CA LYS A 90 -3.008 8.894 6.658 1.00 0.00 C ATOM 1354 C LYS A 90 -3.067 8.045 7.940 1.00 0.00 C ATOM 1355 O LYS A 90 -3.849 8.363 8.829 1.00 0.00 O ATOM 1356 CB LYS A 90 -4.165 8.624 5.664 1.00 0.00 C ATOM 1357 CG LYS A 90 -5.605 8.426 6.177 1.00 0.00 C ATOM 1358 CD LYS A 90 -5.911 7.010 6.715 1.00 0.00 C ATOM 1359 CE LYS A 90 -7.396 6.654 6.542 1.00 0.00 C ATOM 1360 NZ LYS A 90 -7.681 6.040 5.227 1.00 0.00 N ATOM 0 H LYS A 90 -1.888 8.477 4.946 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.099 9.907 7.049 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -4.185 9.456 4.960 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.900 7.732 5.096 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -5.797 9.150 6.969 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -6.299 8.649 5.366 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -5.296 6.279 6.190 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -5.642 6.954 7.770 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -7.696 5.967 7.333 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -7.998 7.555 6.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -8.590 6.395 4.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -6.924 6.286 4.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -7.729 5.006 5.330 1.00 0.00 H new ATOM 1374 N LYS A 91 -2.291 6.963 8.058 1.00 0.00 N ATOM 1375 CA LYS A 91 -2.146 6.182 9.291 1.00 0.00 C ATOM 1376 C LYS A 91 -0.745 5.625 9.233 1.00 0.00 C ATOM 1377 O LYS A 91 0.190 6.263 9.722 1.00 0.00 O ATOM 1378 CB LYS A 91 -3.321 5.169 9.442 1.00 0.00 C ATOM 1379 CG LYS A 91 -3.168 3.802 10.159 1.00 0.00 C ATOM 1380 CD LYS A 91 -2.589 3.739 11.586 1.00 0.00 C ATOM 1381 CE LYS A 91 -2.665 2.265 12.050 1.00 0.00 C ATOM 1382 NZ LYS A 91 -1.910 1.942 13.286 1.00 0.00 N ATOM 0 H LYS A 91 -1.735 6.598 7.284 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.235 6.756 10.213 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.124 5.700 9.954 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.675 4.952 8.434 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.155 3.340 10.189 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.541 3.173 9.527 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.558 4.093 11.598 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -3.155 4.383 12.259 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.712 2.006 12.207 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -2.297 1.630 11.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.026 0.933 13.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.902 2.151 13.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -2.273 2.515 14.074 1.00 0.00 H new ATOM 1396 N LYS A 92 -0.569 4.445 8.652 1.00 0.00 N ATOM 1397 CA LYS A 92 0.708 3.798 8.629 1.00 0.00 C ATOM 1398 C LYS A 92 0.816 2.904 7.403 1.00 0.00 C ATOM 1399 O LYS A 92 0.371 3.238 6.296 1.00 0.00 O ATOM 1400 CB LYS A 92 0.953 3.130 10.004 1.00 0.00 C ATOM 1401 CG LYS A 92 2.425 2.910 10.404 1.00 0.00 C ATOM 1402 CD LYS A 92 3.242 4.205 10.528 1.00 0.00 C ATOM 1403 CE LYS A 92 2.940 4.993 11.811 1.00 0.00 C ATOM 1404 NZ LYS A 92 4.023 4.806 12.801 1.00 0.00 N ATOM 0 H LYS A 92 -1.313 3.923 8.189 1.00 0.00 H new ATOM 0 HA LYS A 92 1.531 4.502 8.507 1.00 0.00 H new ATOM 0 HB2 LYS A 92 0.478 3.742 10.771 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.449 2.164 10.009 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.456 2.381 11.356 1.00 0.00 H new ATOM 0 HG3 LYS A 92 2.898 2.264 9.665 1.00 0.00 H new ATOM 0 HD2 LYS A 92 4.304 3.960 10.502 1.00 0.00 H new ATOM 0 HD3 LYS A 92 3.039 4.839 9.665 1.00 0.00 H new ATOM 0 HE2 LYS A 92 2.832 6.052 11.577 1.00 0.00 H new ATOM 0 HE3 LYS A 92 1.992 4.661 12.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 3.803 5.346 13.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 4.107 3.797 13.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 4.921 5.144 12.401 1.00 0.00 H new ATOM 1418 N TYR A 93 1.494 1.795 7.606 1.00 0.00 N ATOM 1419 CA TYR A 93 2.030 0.978 6.568 1.00 0.00 C ATOM 1420 C TYR A 93 1.347 -0.369 6.582 1.00 0.00 C ATOM 1421 O TYR A 93 1.773 -1.293 7.256 1.00 0.00 O ATOM 1422 CB TYR A 93 3.531 0.952 6.800 1.00 0.00 C ATOM 1423 CG TYR A 93 4.201 2.316 7.098 1.00 0.00 C ATOM 1424 CD1 TYR A 93 3.665 3.542 6.636 1.00 0.00 C ATOM 1425 CD2 TYR A 93 5.339 2.380 7.928 1.00 0.00 C ATOM 1426 CE1 TYR A 93 4.232 4.778 6.979 1.00 0.00 C ATOM 1427 CE2 TYR A 93 5.944 3.610 8.252 1.00 0.00 C ATOM 1428 CZ TYR A 93 5.391 4.818 7.772 1.00 0.00 C ATOM 1429 OH TYR A 93 5.916 6.033 8.071 1.00 0.00 O ATOM 0 H TYR A 93 1.688 1.434 8.540 1.00 0.00 H new ATOM 0 HA TYR A 93 1.849 1.357 5.562 1.00 0.00 H new ATOM 0 HB2 TYR A 93 3.737 0.280 7.633 1.00 0.00 H new ATOM 0 HB3 TYR A 93 4.006 0.522 5.918 1.00 0.00 H new ATOM 0 HD1 TYR A 93 2.792 3.525 6.000 1.00 0.00 H new ATOM 0 HD2 TYR A 93 5.756 1.466 8.324 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.779 5.696 6.635 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.831 3.630 8.868 1.00 0.00 H new ATOM 0 HH TYR A 93 6.715 5.916 8.626 1.00 0.00 H new ATOM 1439 N TYR A 94 0.233 -0.449 5.876 1.00 0.00 N ATOM 1440 CA TYR A 94 -0.575 -1.636 5.857 1.00 0.00 C ATOM 1441 C TYR A 94 0.109 -2.621 4.912 1.00 0.00 C ATOM 1442 O TYR A 94 0.927 -2.225 4.075 1.00 0.00 O ATOM 1443 CB TYR A 94 -1.946 -1.237 5.321 1.00 0.00 C ATOM 1444 CG TYR A 94 -2.713 -0.137 6.048 1.00 0.00 C ATOM 1445 CD1 TYR A 94 -2.402 1.226 5.847 1.00 0.00 C ATOM 1446 CD2 TYR A 94 -3.827 -0.479 6.835 1.00 0.00 C ATOM 1447 CE1 TYR A 94 -3.221 2.230 6.399 1.00 0.00 C ATOM 1448 CE2 TYR A 94 -4.667 0.514 7.367 1.00 0.00 C ATOM 1449 CZ TYR A 94 -4.376 1.875 7.132 1.00 0.00 C ATOM 1450 OH TYR A 94 -5.213 2.849 7.583 1.00 0.00 O ATOM 0 H TYR A 94 -0.129 0.313 5.302 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.690 -2.091 6.841 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.820 -0.925 4.284 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.572 -2.129 5.312 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.533 1.499 5.268 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.040 -1.519 7.033 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -2.967 3.271 6.262 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.531 0.237 7.953 1.00 0.00 H new ATOM 0 HH TYR A 94 -5.960 2.440 8.067 1.00 0.00 H new ATOM 1460 N LEU A 95 -0.244 -3.892 5.019 1.00 0.00 N ATOM 1461 CA LEU A 95 0.432 -4.969 4.309 1.00 0.00 C ATOM 1462 C LEU A 95 -0.600 -5.628 3.402 1.00 0.00 C ATOM 1463 O LEU A 95 -1.726 -5.893 3.821 1.00 0.00 O ATOM 1464 CB LEU A 95 1.010 -5.938 5.346 1.00 0.00 C ATOM 1465 CG LEU A 95 2.169 -6.884 4.977 1.00 0.00 C ATOM 1466 CD1 LEU A 95 2.034 -8.221 5.714 1.00 0.00 C ATOM 1467 CD2 LEU A 95 2.311 -7.220 3.499 1.00 0.00 C ATOM 0 H LEU A 95 -1.015 -4.209 5.606 1.00 0.00 H new ATOM 0 HA LEU A 95 1.259 -4.617 3.693 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.342 -5.340 6.194 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.187 -6.560 5.697 1.00 0.00 H new ATOM 0 HG LEU A 95 3.052 -6.318 5.273 1.00 0.00 H new ATOM 0 HD11 LEU A 95 2.863 -8.873 5.439 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.051 -8.047 6.790 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.092 -8.695 5.438 1.00 0.00 H new ATOM 0 HD21 LEU A 95 3.158 -7.891 3.358 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.401 -7.705 3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.476 -6.304 2.932 1.00 0.00 H new ATOM 1479 N ILE A 96 -0.229 -5.891 2.160 1.00 0.00 N ATOM 1480 CA ILE A 96 -1.089 -6.515 1.160 1.00 0.00 C ATOM 1481 C ILE A 96 -0.396 -7.774 0.668 1.00 0.00 C ATOM 1482 O ILE A 96 0.775 -7.736 0.272 1.00 0.00 O ATOM 1483 CB ILE A 96 -1.377 -5.535 0.005 1.00 0.00 C ATOM 1484 CG1 ILE A 96 -2.050 -4.227 0.476 1.00 0.00 C ATOM 1485 CG2 ILE A 96 -2.206 -6.176 -1.123 1.00 0.00 C ATOM 1486 CD1 ILE A 96 -3.451 -4.370 1.079 1.00 0.00 C ATOM 0 H ILE A 96 0.703 -5.672 1.807 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.053 -6.778 1.595 1.00 0.00 H new ATOM 0 HB ILE A 96 -0.396 -5.279 -0.395 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.404 -3.756 1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.110 -3.547 -0.373 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.379 -5.442 -1.910 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.664 -7.027 -1.534 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.163 -6.513 -0.725 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -3.822 -3.388 1.373 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -4.123 -4.805 0.339 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.406 -5.018 1.954 1.00 0.00 H new ATOM 1498 N ARG A 97 -1.130 -8.883 0.679 1.00 0.00 N ATOM 1499 CA ARG A 97 -0.740 -10.149 0.109 1.00 0.00 C ATOM 1500 C ARG A 97 -1.913 -10.801 -0.645 1.00 0.00 C ATOM 1501 O ARG A 97 -3.064 -10.338 -0.656 1.00 0.00 O ATOM 1502 CB ARG A 97 -0.158 -11.017 1.241 1.00 0.00 C ATOM 1503 CG ARG A 97 -0.975 -11.095 2.541 1.00 0.00 C ATOM 1504 CD ARG A 97 -0.319 -12.057 3.530 1.00 0.00 C ATOM 1505 NE ARG A 97 -1.229 -12.450 4.618 1.00 0.00 N ATOM 1506 CZ ARG A 97 -0.982 -13.450 5.472 1.00 0.00 C ATOM 1507 NH1 ARG A 97 0.239 -13.956 5.594 1.00 0.00 N ATOM 1508 NH2 ARG A 97 -1.985 -13.944 6.184 1.00 0.00 N ATOM 0 H ARG A 97 -2.055 -8.915 1.108 1.00 0.00 H new ATOM 0 HA ARG A 97 0.034 -10.020 -0.648 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -0.027 -12.030 0.860 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.834 -10.637 1.485 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -1.054 -10.104 2.987 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.989 -11.427 2.320 1.00 0.00 H new ATOM 0 HD2 ARG A 97 0.014 -12.949 2.999 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.569 -11.588 3.954 1.00 0.00 H new ATOM 0 HE ARG A 97 -2.099 -11.929 4.727 1.00 0.00 H new ATOM 0 HH11 ARG A 97 1.004 -13.583 5.032 1.00 0.00 H new ATOM 0 HH12 ARG A 97 0.412 -14.718 6.249 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -2.924 -13.562 6.075 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -1.817 -14.706 6.840 1.00 0.00 H new ATOM 1522 N TYR A 98 -1.610 -11.916 -1.296 1.00 0.00 N ATOM 1523 CA TYR A 98 -2.570 -12.790 -1.916 1.00 0.00 C ATOM 1524 C TYR A 98 -2.491 -14.179 -1.295 1.00 0.00 C ATOM 1525 O TYR A 98 -1.556 -14.473 -0.549 1.00 0.00 O ATOM 1526 CB TYR A 98 -2.378 -12.814 -3.435 1.00 0.00 C ATOM 1527 CG TYR A 98 -0.973 -12.639 -3.971 1.00 0.00 C ATOM 1528 CD1 TYR A 98 0.131 -13.257 -3.345 1.00 0.00 C ATOM 1529 CD2 TYR A 98 -0.784 -11.881 -5.141 1.00 0.00 C ATOM 1530 CE1 TYR A 98 1.421 -13.085 -3.861 1.00 0.00 C ATOM 1531 CE2 TYR A 98 0.502 -11.730 -5.674 1.00 0.00 C ATOM 1532 CZ TYR A 98 1.606 -12.334 -5.036 1.00 0.00 C ATOM 1533 OH TYR A 98 2.837 -12.263 -5.592 1.00 0.00 O ATOM 0 H TYR A 98 -0.649 -12.240 -1.405 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.575 -12.409 -1.733 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.762 -13.764 -3.806 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.000 -12.029 -3.864 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.020 -13.865 -2.465 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.629 -11.416 -5.627 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.270 -13.527 -3.360 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.649 -11.151 -6.574 1.00 0.00 H new ATOM 0 HH TYR A 98 3.195 -11.358 -5.480 1.00 0.00 H new ATOM 1543 N ALA A 99 -3.517 -14.979 -1.582 1.00 0.00 N ATOM 1544 CA ALA A 99 -3.872 -16.256 -0.995 1.00 0.00 C ATOM 1545 C ALA A 99 -2.883 -17.345 -1.420 1.00 0.00 C ATOM 1546 O ALA A 99 -3.235 -18.300 -2.114 1.00 0.00 O ATOM 1547 CB ALA A 99 -5.318 -16.575 -1.404 1.00 0.00 C ATOM 0 H ALA A 99 -4.184 -14.715 -2.307 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.814 -16.213 0.093 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -5.614 -17.533 -0.976 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -5.981 -15.792 -1.036 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -5.386 -16.627 -2.491 1.00 0.00 H new TER 1553 ALA A 99