USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 691 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 Single : A 12 THR OG1 : rot -149:sc= 1.21 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 1.77 K(o=1.8,f=-4.4!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.868 K(o=0.87,f=-0.041) USER MOD Single : A 29 TYR OH : rot 42:sc= 1.25 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.918 K(o=0.92,f=-4.1!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 15:sc= -1.16 USER MOD Single : A 42 MET CE :methyl -175:sc= 0 (180deg=-0.0074) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0747) USER MOD Single : A 45 THR OG1 : rot 45:sc= 0.839 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0668) USER MOD Single : A 58 TYR OH : rot -1:sc= 0.095 USER MOD Single : A 60 TYR OH : rot 7:sc= 1.2 USER MOD Single : A 61 GLN : amide:sc= 1.22 K(o=1.2,f=-2.4!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot -148:sc= 1.27 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot -37:sc= 0.469 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 77:sc= 1.11 USER MOD Single : A 85 LYS NZ :NH3+ -143:sc= -0.169 (180deg=-0.47) USER MOD Single : A 90 ASN : amide:sc= -0.0433 K(o=-0.043,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 49 N GLU A 4 5.011 -11.595 -1.836 1.00 0.00 N ATOM 50 CA GLU A 4 4.147 -12.443 -1.025 1.00 0.00 C ATOM 51 C GLU A 4 3.093 -11.566 -0.353 1.00 0.00 C ATOM 52 O GLU A 4 3.249 -10.348 -0.286 1.00 0.00 O ATOM 53 CB GLU A 4 4.998 -13.220 0.005 1.00 0.00 C ATOM 54 CG GLU A 4 4.264 -14.302 0.811 1.00 0.00 C ATOM 55 CD GLU A 4 3.475 -15.266 -0.068 1.00 0.00 C ATOM 56 OE1 GLU A 4 4.069 -16.282 -0.487 1.00 0.00 O ATOM 57 OE2 GLU A 4 2.287 -14.955 -0.309 1.00 0.00 O ATOM 0 HA GLU A 4 3.636 -13.180 -1.645 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.829 -13.689 -0.521 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.428 -12.503 0.705 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.990 -14.865 1.398 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.585 -13.824 1.517 1.00 0.00 H new ATOM 64 N ILE A 5 2.023 -12.181 0.149 1.00 0.00 N ATOM 65 CA ILE A 5 1.065 -11.501 1.007 1.00 0.00 C ATOM 66 C ILE A 5 1.696 -11.366 2.394 1.00 0.00 C ATOM 67 O ILE A 5 2.266 -12.328 2.906 1.00 0.00 O ATOM 68 CB ILE A 5 -0.253 -12.289 1.094 1.00 0.00 C ATOM 69 CG1 ILE A 5 -0.791 -12.747 -0.274 1.00 0.00 C ATOM 70 CG2 ILE A 5 -1.332 -11.502 1.851 1.00 0.00 C ATOM 71 CD1 ILE A 5 -1.050 -11.595 -1.250 1.00 0.00 C ATOM 0 H ILE A 5 1.800 -13.160 -0.029 1.00 0.00 H new ATOM 0 HA ILE A 5 0.829 -10.519 0.596 1.00 0.00 H new ATOM 0 HB ILE A 5 -0.011 -13.192 1.655 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.077 -13.438 -0.722 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.718 -13.300 -0.123 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.249 -12.090 1.893 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.988 -11.295 2.864 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.527 -10.562 1.334 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.427 -11.994 -2.192 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.787 -10.915 -0.823 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.120 -11.056 -1.431 1.00 0.00 H new ATOM 83 N ILE A 6 1.587 -10.193 3.012 1.00 0.00 N ATOM 84 CA ILE A 6 2.026 -9.951 4.378 1.00 0.00 C ATOM 85 C ILE A 6 0.809 -9.814 5.296 1.00 0.00 C ATOM 86 O ILE A 6 -0.317 -9.626 4.835 1.00 0.00 O ATOM 87 CB ILE A 6 2.962 -8.734 4.444 1.00 0.00 C ATOM 88 CG1 ILE A 6 2.276 -7.413 4.061 1.00 0.00 C ATOM 89 CG2 ILE A 6 4.206 -8.988 3.583 1.00 0.00 C ATOM 90 CD1 ILE A 6 3.086 -6.185 4.499 1.00 0.00 C ATOM 0 H ILE A 6 1.183 -9.370 2.566 1.00 0.00 H new ATOM 0 HA ILE A 6 2.607 -10.803 4.731 1.00 0.00 H new ATOM 0 HB ILE A 6 3.260 -8.614 5.486 1.00 0.00 H new ATOM 0 HG12 ILE A 6 2.130 -7.382 2.981 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.287 -7.374 4.518 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.866 -8.122 3.633 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.732 -9.868 3.954 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.905 -9.155 2.549 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.559 -5.278 4.205 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.210 -6.198 5.582 1.00 0.00 H new ATOM 0 HD13 ILE A 6 4.066 -6.206 4.022 1.00 0.00 H new ATOM 102 N ASP A 7 1.033 -9.919 6.606 1.00 0.00 N ATOM 103 CA ASP A 7 -0.020 -9.829 7.597 1.00 0.00 C ATOM 104 C ASP A 7 -0.501 -8.388 7.734 1.00 0.00 C ATOM 105 O ASP A 7 0.237 -7.431 7.490 1.00 0.00 O ATOM 106 CB ASP A 7 0.487 -10.335 8.953 1.00 0.00 C ATOM 107 CG ASP A 7 0.921 -11.794 8.892 1.00 0.00 C ATOM 108 OD1 ASP A 7 2.106 -12.015 8.561 1.00 0.00 O ATOM 109 OD2 ASP A 7 0.061 -12.657 9.168 1.00 0.00 O ATOM 0 H ASP A 7 1.960 -10.070 7.004 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.854 -10.450 7.271 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.326 -9.720 9.278 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -0.299 -10.222 9.699 1.00 0.00 H new ATOM 114 N ILE A 8 -1.744 -8.253 8.179 1.00 0.00 N ATOM 115 CA ILE A 8 -2.333 -7.022 8.636 1.00 0.00 C ATOM 116 C ILE A 8 -2.160 -6.975 10.159 1.00 0.00 C ATOM 117 O ILE A 8 -2.276 -7.997 10.830 1.00 0.00 O ATOM 118 CB ILE A 8 -3.792 -6.938 8.155 1.00 0.00 C ATOM 119 CG1 ILE A 8 -4.572 -8.260 8.000 1.00 0.00 C ATOM 120 CG2 ILE A 8 -3.813 -6.227 6.795 1.00 0.00 C ATOM 121 CD1 ILE A 8 -4.777 -9.032 9.307 1.00 0.00 C ATOM 0 H ILE A 8 -2.390 -9.041 8.229 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.845 -6.140 8.220 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.302 -6.405 8.957 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.547 -8.043 7.564 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.042 -8.899 7.294 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.840 -6.158 6.437 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.397 -5.225 6.902 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.217 -6.793 6.079 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -5.334 -9.947 9.106 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -3.807 -9.284 9.736 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.336 -8.415 10.010 1.00 0.00 H new ATOM 133 N GLY A 9 -1.807 -5.812 10.707 1.00 0.00 N ATOM 134 CA GLY A 9 -1.419 -5.677 12.102 1.00 0.00 C ATOM 135 C GLY A 9 -0.953 -4.242 12.345 1.00 0.00 C ATOM 136 O GLY A 9 -1.138 -3.403 11.463 1.00 0.00 O ATOM 0 H GLY A 9 -1.784 -4.934 10.188 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.260 -5.916 12.753 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -0.620 -6.379 12.342 1.00 0.00 H new ATOM 140 N PRO A 10 -0.366 -3.931 13.513 1.00 0.00 N ATOM 141 CA PRO A 10 0.055 -2.578 13.863 1.00 0.00 C ATOM 142 C PRO A 10 1.010 -1.990 12.822 1.00 0.00 C ATOM 143 O PRO A 10 0.840 -0.851 12.395 1.00 0.00 O ATOM 144 CB PRO A 10 0.678 -2.680 15.260 1.00 0.00 C ATOM 145 CG PRO A 10 1.021 -4.162 15.420 1.00 0.00 C ATOM 146 CD PRO A 10 -0.049 -4.862 14.584 1.00 0.00 C ATOM 0 HA PRO A 10 -0.787 -1.886 13.873 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.567 -2.056 15.344 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -0.018 -2.349 16.030 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.024 -4.384 15.057 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.983 -4.473 16.464 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.318 -5.808 14.187 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.931 -5.088 15.183 1.00 0.00 H new ATOM 154 N PHE A 11 2.002 -2.772 12.389 1.00 0.00 N ATOM 155 CA PHE A 11 2.940 -2.373 11.349 1.00 0.00 C ATOM 156 C PHE A 11 2.192 -1.918 10.088 1.00 0.00 C ATOM 157 O PHE A 11 2.409 -0.828 9.557 1.00 0.00 O ATOM 158 CB PHE A 11 3.879 -3.553 11.057 1.00 0.00 C ATOM 159 CG PHE A 11 5.053 -3.215 10.162 1.00 0.00 C ATOM 160 CD1 PHE A 11 6.267 -2.789 10.732 1.00 0.00 C ATOM 161 CD2 PHE A 11 4.953 -3.380 8.767 1.00 0.00 C ATOM 162 CE1 PHE A 11 7.383 -2.547 9.914 1.00 0.00 C ATOM 163 CE2 PHE A 11 6.071 -3.137 7.950 1.00 0.00 C ATOM 164 CZ PHE A 11 7.287 -2.723 8.523 1.00 0.00 C ATOM 0 H PHE A 11 2.174 -3.708 12.757 1.00 0.00 H new ATOM 0 HA PHE A 11 3.533 -1.523 11.688 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.259 -3.941 12.002 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.303 -4.353 10.592 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.341 -2.648 11.800 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.018 -3.693 8.325 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.315 -2.226 10.354 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.996 -3.268 6.881 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.146 -2.541 7.895 1.00 0.00 H new ATOM 174 N THR A 12 1.282 -2.765 9.610 1.00 0.00 N ATOM 175 CA THR A 12 0.536 -2.541 8.390 1.00 0.00 C ATOM 176 C THR A 12 -0.382 -1.329 8.551 1.00 0.00 C ATOM 177 O THR A 12 -0.477 -0.495 7.653 1.00 0.00 O ATOM 178 CB THR A 12 -0.225 -3.828 8.043 1.00 0.00 C ATOM 179 OG1 THR A 12 0.393 -4.932 8.691 1.00 0.00 O ATOM 180 CG2 THR A 12 -0.267 -4.048 6.529 1.00 0.00 C ATOM 0 H THR A 12 1.044 -3.641 10.075 1.00 0.00 H new ATOM 0 HA THR A 12 1.204 -2.310 7.560 1.00 0.00 H new ATOM 0 HB THR A 12 -1.253 -3.735 8.393 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.284 -5.736 8.142 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.812 -4.966 6.310 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.769 -3.206 6.053 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.750 -4.129 6.145 1.00 0.00 H new ATOM 188 N GLN A 13 -1.045 -1.223 9.707 1.00 0.00 N ATOM 189 CA GLN A 13 -1.827 -0.059 10.065 1.00 0.00 C ATOM 190 C GLN A 13 -0.969 1.190 9.954 1.00 0.00 C ATOM 191 O GLN A 13 -1.374 2.116 9.267 1.00 0.00 O ATOM 192 CB GLN A 13 -2.398 -0.217 11.477 1.00 0.00 C ATOM 193 CG GLN A 13 -3.606 -1.155 11.530 1.00 0.00 C ATOM 194 CD GLN A 13 -4.174 -1.223 12.941 1.00 0.00 C ATOM 195 OE1 GLN A 13 -5.107 -0.501 13.274 1.00 0.00 O ATOM 196 NE2 GLN A 13 -3.620 -2.088 13.784 1.00 0.00 N ATOM 0 H GLN A 13 -1.047 -1.954 10.419 1.00 0.00 H new ATOM 0 HA GLN A 13 -2.666 0.039 9.376 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.619 -0.598 12.138 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.688 0.762 11.858 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -4.374 -0.806 10.840 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -3.313 -2.152 11.202 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.845 -2.675 13.476 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.970 -2.165 14.739 1.00 0.00 H new ATOM 205 N ASN A 14 0.212 1.220 10.578 1.00 0.00 N ATOM 206 CA ASN A 14 1.094 2.381 10.510 1.00 0.00 C ATOM 207 C ASN A 14 1.303 2.822 9.061 1.00 0.00 C ATOM 208 O ASN A 14 1.091 3.988 8.729 1.00 0.00 O ATOM 209 CB ASN A 14 2.432 2.088 11.196 1.00 0.00 C ATOM 210 CG ASN A 14 3.372 3.283 11.076 1.00 0.00 C ATOM 211 OD1 ASN A 14 3.278 4.231 11.846 1.00 0.00 O ATOM 212 ND2 ASN A 14 4.284 3.253 10.109 1.00 0.00 N ATOM 0 H ASN A 14 0.577 0.449 11.137 1.00 0.00 H new ATOM 0 HA ASN A 14 0.616 3.203 11.043 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.264 1.855 12.248 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.893 1.209 10.745 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.930 4.034 9.993 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.338 2.449 9.483 1.00 0.00 H new ATOM 219 N LEU A 15 1.673 1.881 8.186 1.00 0.00 N ATOM 220 CA LEU A 15 1.843 2.189 6.767 1.00 0.00 C ATOM 221 C LEU A 15 0.546 2.743 6.167 1.00 0.00 C ATOM 222 O LEU A 15 0.549 3.788 5.514 1.00 0.00 O ATOM 223 CB LEU A 15 2.328 0.953 5.997 1.00 0.00 C ATOM 224 CG LEU A 15 3.734 0.483 6.405 1.00 0.00 C ATOM 225 CD1 LEU A 15 4.088 -0.772 5.599 1.00 0.00 C ATOM 226 CD2 LEU A 15 4.797 1.559 6.142 1.00 0.00 C ATOM 0 H LEU A 15 1.858 0.909 8.435 1.00 0.00 H new ATOM 0 HA LEU A 15 2.606 2.962 6.676 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.622 0.138 6.155 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.324 1.176 4.930 1.00 0.00 H new ATOM 0 HG LEU A 15 3.724 0.274 7.475 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.084 -1.116 5.879 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.361 -1.556 5.809 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.071 -0.538 4.535 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.775 1.186 6.444 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.814 1.802 5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.558 2.455 6.715 1.00 0.00 H new ATOM 238 N GLY A 16 -0.574 2.062 6.409 1.00 0.00 N ATOM 239 CA GLY A 16 -1.886 2.510 5.961 1.00 0.00 C ATOM 240 C GLY A 16 -2.228 3.911 6.478 1.00 0.00 C ATOM 241 O GLY A 16 -2.847 4.710 5.776 1.00 0.00 O ATOM 0 H GLY A 16 -0.593 1.181 6.923 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.915 2.510 4.871 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.644 1.804 6.301 1.00 0.00 H new ATOM 245 N LYS A 17 -1.828 4.223 7.709 1.00 0.00 N ATOM 246 CA LYS A 17 -2.191 5.441 8.392 1.00 0.00 C ATOM 247 C LYS A 17 -1.388 6.559 7.755 1.00 0.00 C ATOM 248 O LYS A 17 -1.928 7.605 7.432 1.00 0.00 O ATOM 249 CB LYS A 17 -1.900 5.325 9.897 1.00 0.00 C ATOM 250 CG LYS A 17 -3.011 5.956 10.741 1.00 0.00 C ATOM 251 CD LYS A 17 -3.229 7.406 10.310 1.00 0.00 C ATOM 252 CE LYS A 17 -4.162 8.139 11.279 1.00 0.00 C ATOM 253 NZ LYS A 17 -4.450 9.507 10.809 1.00 0.00 N ATOM 0 H LYS A 17 -1.228 3.613 8.264 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.258 5.642 8.298 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.791 4.274 10.166 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.951 5.812 10.122 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.935 5.390 10.624 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.744 5.917 11.797 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.270 7.922 10.264 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.652 7.430 9.306 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.094 7.583 11.382 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.705 8.180 12.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.084 9.980 11.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.562 10.043 10.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.908 9.464 9.876 1.00 0.00 H new ATOM 267 N PHE A 18 -0.096 6.310 7.548 1.00 0.00 N ATOM 268 CA PHE A 18 0.780 7.161 6.762 1.00 0.00 C ATOM 269 C PHE A 18 0.179 7.436 5.383 1.00 0.00 C ATOM 270 O PHE A 18 0.101 8.588 4.962 1.00 0.00 O ATOM 271 CB PHE A 18 2.174 6.517 6.690 1.00 0.00 C ATOM 272 CG PHE A 18 2.991 6.872 5.464 1.00 0.00 C ATOM 273 CD1 PHE A 18 3.503 8.173 5.310 1.00 0.00 C ATOM 274 CD2 PHE A 18 3.186 5.915 4.449 1.00 0.00 C ATOM 275 CE1 PHE A 18 4.263 8.497 4.174 1.00 0.00 C ATOM 276 CE2 PHE A 18 3.955 6.237 3.318 1.00 0.00 C ATOM 277 CZ PHE A 18 4.513 7.520 3.195 1.00 0.00 C ATOM 0 H PHE A 18 0.376 5.492 7.933 1.00 0.00 H new ATOM 0 HA PHE A 18 0.885 8.134 7.242 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.736 6.808 7.577 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.058 5.434 6.727 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.312 8.922 6.064 1.00 0.00 H new ATOM 0 HD2 PHE A 18 2.744 4.934 4.540 1.00 0.00 H new ATOM 0 HE1 PHE A 18 4.655 9.496 4.053 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.117 5.500 2.545 1.00 0.00 H new ATOM 0 HZ PHE A 18 5.136 7.757 2.345 1.00 0.00 H new ATOM 287 N ALA A 19 -0.282 6.393 4.690 1.00 0.00 N ATOM 288 CA ALA A 19 -0.882 6.546 3.370 1.00 0.00 C ATOM 289 C ALA A 19 -2.068 7.508 3.433 1.00 0.00 C ATOM 290 O ALA A 19 -2.132 8.502 2.707 1.00 0.00 O ATOM 291 CB ALA A 19 -1.299 5.175 2.831 1.00 0.00 C ATOM 0 H ALA A 19 -0.249 5.430 5.026 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.149 6.973 2.686 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.747 5.293 1.844 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.423 4.531 2.757 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.025 4.723 3.507 1.00 0.00 H new ATOM 297 N VAL A 20 -2.997 7.217 4.341 1.00 0.00 N ATOM 298 CA VAL A 20 -4.179 8.040 4.547 1.00 0.00 C ATOM 299 C VAL A 20 -3.783 9.453 4.986 1.00 0.00 C ATOM 300 O VAL A 20 -4.413 10.424 4.573 1.00 0.00 O ATOM 301 CB VAL A 20 -5.134 7.353 5.535 1.00 0.00 C ATOM 302 CG1 VAL A 20 -6.293 8.277 5.930 1.00 0.00 C ATOM 303 CG2 VAL A 20 -5.738 6.096 4.890 1.00 0.00 C ATOM 0 H VAL A 20 -2.948 6.403 4.953 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.716 8.148 3.605 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.554 7.098 6.422 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.949 7.759 6.630 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.897 9.176 6.402 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.858 8.553 5.040 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.414 5.614 5.596 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.290 6.377 3.993 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.939 5.404 4.623 1.00 0.00 H new ATOM 313 N ASP A 21 -2.757 9.587 5.826 1.00 0.00 N ATOM 314 CA ASP A 21 -2.280 10.865 6.326 1.00 0.00 C ATOM 315 C ASP A 21 -1.756 11.714 5.171 1.00 0.00 C ATOM 316 O ASP A 21 -2.146 12.867 5.038 1.00 0.00 O ATOM 317 CB ASP A 21 -1.207 10.651 7.400 1.00 0.00 C ATOM 318 CG ASP A 21 -0.612 11.981 7.853 1.00 0.00 C ATOM 319 OD1 ASP A 21 -1.262 12.629 8.702 1.00 0.00 O ATOM 320 OD2 ASP A 21 0.475 12.322 7.336 1.00 0.00 O ATOM 0 H ASP A 21 -2.227 8.791 6.182 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.108 11.401 6.790 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -1.642 10.133 8.255 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.417 10.010 7.007 1.00 0.00 H new ATOM 325 N GLU A 22 -0.911 11.131 4.320 1.00 0.00 N ATOM 326 CA GLU A 22 -0.401 11.768 3.115 1.00 0.00 C ATOM 327 C GLU A 22 -1.585 12.218 2.259 1.00 0.00 C ATOM 328 O GLU A 22 -1.660 13.360 1.810 1.00 0.00 O ATOM 329 CB GLU A 22 0.500 10.778 2.352 1.00 0.00 C ATOM 330 CG GLU A 22 1.206 11.423 1.152 1.00 0.00 C ATOM 331 CD GLU A 22 2.209 12.487 1.586 1.00 0.00 C ATOM 332 OE1 GLU A 22 3.315 12.083 2.007 1.00 0.00 O ATOM 333 OE2 GLU A 22 1.851 13.682 1.499 1.00 0.00 O ATOM 0 H GLU A 22 -0.558 10.184 4.456 1.00 0.00 H new ATOM 0 HA GLU A 22 0.200 12.642 3.368 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.248 10.374 3.034 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.102 9.938 2.006 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.720 10.653 0.576 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.463 11.872 0.492 1.00 0.00 H new ATOM 340 N GLU A 23 -2.526 11.301 2.033 1.00 0.00 N ATOM 341 CA GLU A 23 -3.680 11.565 1.198 1.00 0.00 C ATOM 342 C GLU A 23 -4.516 12.723 1.751 1.00 0.00 C ATOM 343 O GLU A 23 -4.926 13.596 0.990 1.00 0.00 O ATOM 344 CB GLU A 23 -4.493 10.282 1.053 1.00 0.00 C ATOM 345 CG GLU A 23 -5.603 10.479 0.020 1.00 0.00 C ATOM 346 CD GLU A 23 -6.200 9.147 -0.400 1.00 0.00 C ATOM 347 OE1 GLU A 23 -6.360 8.291 0.495 1.00 0.00 O ATOM 348 OE2 GLU A 23 -6.459 9.011 -1.614 1.00 0.00 O ATOM 0 H GLU A 23 -2.503 10.360 2.426 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.349 11.879 0.208 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.843 9.462 0.748 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.925 10.005 2.015 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -6.383 11.116 0.437 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.204 10.994 -0.854 1.00 0.00 H new ATOM 355 N ASN A 24 -4.752 12.736 3.066 1.00 0.00 N ATOM 356 CA ASN A 24 -5.440 13.811 3.763 1.00 0.00 C ATOM 357 C ASN A 24 -4.643 15.107 3.630 1.00 0.00 C ATOM 358 O ASN A 24 -5.223 16.159 3.380 1.00 0.00 O ATOM 359 CB ASN A 24 -5.592 13.452 5.248 1.00 0.00 C ATOM 360 CG ASN A 24 -6.886 12.715 5.576 1.00 0.00 C ATOM 361 OD1 ASN A 24 -7.903 13.322 5.895 1.00 0.00 O ATOM 362 ND2 ASN A 24 -6.870 11.391 5.545 1.00 0.00 N ATOM 0 H ASN A 24 -4.461 11.979 3.684 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.427 13.948 3.321 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -4.747 12.834 5.551 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -5.546 14.367 5.839 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -7.709 10.865 5.788 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -6.018 10.897 5.278 1.00 0.00 H new ATOM 369 N LYS A 25 -3.321 15.037 3.819 1.00 0.00 N ATOM 370 CA LYS A 25 -2.438 16.195 3.761 1.00 0.00 C ATOM 371 C LYS A 25 -2.548 16.865 2.391 1.00 0.00 C ATOM 372 O LYS A 25 -2.698 18.081 2.302 1.00 0.00 O ATOM 373 CB LYS A 25 -1.002 15.753 4.082 1.00 0.00 C ATOM 374 CG LYS A 25 -0.009 16.919 4.151 1.00 0.00 C ATOM 375 CD LYS A 25 1.393 16.362 4.423 1.00 0.00 C ATOM 376 CE LYS A 25 2.424 17.493 4.490 1.00 0.00 C ATOM 377 NZ LYS A 25 3.779 16.964 4.727 1.00 0.00 N ATOM 0 H LYS A 25 -2.834 14.163 4.018 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.733 16.935 4.505 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.997 15.224 5.035 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.669 15.046 3.323 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.018 17.477 3.215 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.298 17.614 4.939 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.393 15.808 5.361 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.669 15.659 3.637 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.409 18.058 3.558 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.156 18.186 5.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.457 17.752 4.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.796 16.445 5.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.041 16.321 3.952 1.00 0.00 H new ATOM 391 N ILE A 26 -2.476 16.069 1.322 1.00 0.00 N ATOM 392 CA ILE A 26 -2.682 16.560 -0.035 1.00 0.00 C ATOM 393 C ILE A 26 -4.144 16.996 -0.208 1.00 0.00 C ATOM 394 O ILE A 26 -4.428 17.987 -0.878 1.00 0.00 O ATOM 395 CB ILE A 26 -2.257 15.481 -1.053 1.00 0.00 C ATOM 396 CG1 ILE A 26 -0.751 15.184 -0.903 1.00 0.00 C ATOM 397 CG2 ILE A 26 -2.558 15.942 -2.489 1.00 0.00 C ATOM 398 CD1 ILE A 26 -0.302 13.950 -1.692 1.00 0.00 C ATOM 0 H ILE A 26 -2.274 15.071 1.376 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.059 17.435 -0.219 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.826 14.573 -0.854 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.180 16.050 -1.238 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.518 15.038 0.152 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.251 15.167 -3.192 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.627 16.126 -2.596 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.009 16.860 -2.699 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.767 13.794 -1.546 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.848 13.075 -1.340 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.505 14.102 -2.752 1.00 0.00 H new ATOM 410 N GLY A 27 -5.077 16.235 0.367 1.00 0.00 N ATOM 411 CA GLY A 27 -6.509 16.431 0.223 1.00 0.00 C ATOM 412 C GLY A 27 -6.999 15.839 -1.096 1.00 0.00 C ATOM 413 O GLY A 27 -8.053 16.229 -1.597 1.00 0.00 O ATOM 0 H GLY A 27 -4.843 15.442 0.964 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.032 15.961 1.056 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.742 17.495 0.260 1.00 0.00 H new ATOM 417 N GLN A 28 -6.255 14.879 -1.661 1.00 0.00 N ATOM 418 CA GLN A 28 -6.513 14.365 -3.002 1.00 0.00 C ATOM 419 C GLN A 28 -7.906 13.738 -3.099 1.00 0.00 C ATOM 420 O GLN A 28 -8.540 13.809 -4.151 1.00 0.00 O ATOM 421 CB GLN A 28 -5.410 13.373 -3.401 1.00 0.00 C ATOM 422 CG GLN A 28 -5.574 12.782 -4.810 1.00 0.00 C ATOM 423 CD GLN A 28 -5.582 13.840 -5.912 1.00 0.00 C ATOM 424 OE1 GLN A 28 -4.553 14.129 -6.510 1.00 0.00 O ATOM 425 NE2 GLN A 28 -6.743 14.425 -6.196 1.00 0.00 N ATOM 0 H GLN A 28 -5.459 14.441 -1.197 1.00 0.00 H new ATOM 0 HA GLN A 28 -6.495 15.196 -3.707 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.445 13.876 -3.340 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.391 12.558 -2.677 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.763 12.078 -4.998 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.504 12.216 -4.853 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -7.585 14.165 -5.682 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.791 15.134 -6.928 1.00 0.00 H new ATOM 434 N TYR A 29 -8.366 13.124 -2.008 1.00 0.00 N ATOM 435 CA TYR A 29 -9.711 12.573 -1.876 1.00 0.00 C ATOM 436 C TYR A 29 -10.471 13.328 -0.776 1.00 0.00 C ATOM 437 O TYR A 29 -11.315 12.768 -0.077 1.00 0.00 O ATOM 438 CB TYR A 29 -9.602 11.067 -1.597 1.00 0.00 C ATOM 439 CG TYR A 29 -9.783 10.186 -2.816 1.00 0.00 C ATOM 440 CD1 TYR A 29 -8.678 9.810 -3.602 1.00 0.00 C ATOM 441 CD2 TYR A 29 -11.057 9.668 -3.113 1.00 0.00 C ATOM 442 CE1 TYR A 29 -8.817 8.797 -4.565 1.00 0.00 C ATOM 443 CE2 TYR A 29 -11.206 8.704 -4.124 1.00 0.00 C ATOM 444 CZ TYR A 29 -10.069 8.199 -4.778 1.00 0.00 C ATOM 445 OH TYR A 29 -10.163 7.060 -5.518 1.00 0.00 O ATOM 0 H TYR A 29 -7.797 12.994 -1.171 1.00 0.00 H new ATOM 0 HA TYR A 29 -10.279 12.700 -2.798 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.626 10.862 -1.158 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.350 10.793 -0.853 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.725 10.299 -3.465 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -11.921 10.012 -2.563 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.961 8.478 -5.141 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -12.190 8.352 -4.397 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.427 6.456 -5.284 1.00 0.00 H new ATOM 455 N GLY A 30 -10.172 14.617 -0.612 1.00 0.00 N ATOM 456 CA GLY A 30 -10.657 15.377 0.523 1.00 0.00 C ATOM 457 C GLY A 30 -10.099 14.786 1.819 1.00 0.00 C ATOM 458 O GLY A 30 -9.019 14.195 1.820 1.00 0.00 O ATOM 0 H GLY A 30 -9.593 15.152 -1.259 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.356 16.420 0.429 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.747 15.360 0.545 1.00 0.00 H new ATOM 462 N ARG A 31 -10.837 14.948 2.918 1.00 0.00 N ATOM 463 CA ARG A 31 -10.483 14.372 4.205 1.00 0.00 C ATOM 464 C ARG A 31 -11.053 12.958 4.309 1.00 0.00 C ATOM 465 O ARG A 31 -12.215 12.743 3.973 1.00 0.00 O ATOM 466 CB ARG A 31 -11.016 15.258 5.337 1.00 0.00 C ATOM 467 CG ARG A 31 -10.118 16.485 5.528 1.00 0.00 C ATOM 468 CD ARG A 31 -10.693 17.416 6.600 1.00 0.00 C ATOM 469 NE ARG A 31 -9.686 18.389 7.039 1.00 0.00 N ATOM 470 CZ ARG A 31 -9.896 19.347 7.952 1.00 0.00 C ATOM 471 NH1 ARG A 31 -11.119 19.544 8.455 1.00 0.00 N ATOM 472 NH2 ARG A 31 -8.870 20.100 8.362 1.00 0.00 N ATOM 0 H ARG A 31 -11.703 15.487 2.935 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.398 14.317 4.294 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.033 15.577 5.109 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.062 14.686 6.264 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.116 16.167 5.815 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -10.024 17.023 4.585 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.563 17.940 6.205 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.034 16.829 7.453 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.758 18.332 6.618 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -11.898 18.964 8.144 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.273 20.275 9.150 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.937 19.943 7.980 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.020 20.832 9.057 1.00 0.00 H new ATOM 486 N LEU A 32 -10.246 12.006 4.787 1.00 0.00 N ATOM 487 CA LEU A 32 -10.648 10.617 4.990 1.00 0.00 C ATOM 488 C LEU A 32 -10.306 10.196 6.415 1.00 0.00 C ATOM 489 O LEU A 32 -9.185 10.419 6.873 1.00 0.00 O ATOM 490 CB LEU A 32 -9.919 9.694 4.013 1.00 0.00 C ATOM 491 CG LEU A 32 -10.203 9.971 2.530 1.00 0.00 C ATOM 492 CD1 LEU A 32 -9.241 9.108 1.713 1.00 0.00 C ATOM 493 CD2 LEU A 32 -11.648 9.622 2.152 1.00 0.00 C ATOM 0 H LEU A 32 -9.277 12.186 5.048 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.721 10.538 4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.846 9.781 4.185 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.195 8.663 4.235 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.063 11.033 2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.413 9.278 0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.213 9.374 1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.410 8.056 1.944 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.808 9.832 1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -11.829 8.564 2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.335 10.221 2.749 1.00 0.00 H new ATOM 505 N THR A 33 -11.260 9.549 7.087 1.00 0.00 N ATOM 506 CA THR A 33 -11.125 9.069 8.456 1.00 0.00 C ATOM 507 C THR A 33 -10.805 7.576 8.412 1.00 0.00 C ATOM 508 O THR A 33 -11.710 6.760 8.252 1.00 0.00 O ATOM 509 CB THR A 33 -12.422 9.358 9.227 1.00 0.00 C ATOM 510 OG1 THR A 33 -12.716 10.738 9.145 1.00 0.00 O ATOM 511 CG2 THR A 33 -12.303 8.987 10.709 1.00 0.00 C ATOM 0 H THR A 33 -12.171 9.341 6.679 1.00 0.00 H new ATOM 0 HA THR A 33 -10.315 9.581 8.976 1.00 0.00 H new ATOM 0 HB THR A 33 -13.211 8.755 8.777 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.544 10.926 9.634 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.242 9.208 11.216 1.00 0.00 H new ATOM 0 HG22 THR A 33 -12.082 7.924 10.801 1.00 0.00 H new ATOM 0 HG23 THR A 33 -11.500 9.565 11.165 1.00 0.00 H new ATOM 519 N PHE A 34 -9.521 7.226 8.525 1.00 0.00 N ATOM 520 CA PHE A 34 -9.068 5.840 8.602 1.00 0.00 C ATOM 521 C PHE A 34 -9.848 5.066 9.660 1.00 0.00 C ATOM 522 O PHE A 34 -9.999 5.537 10.786 1.00 0.00 O ATOM 523 CB PHE A 34 -7.570 5.808 8.920 1.00 0.00 C ATOM 524 CG PHE A 34 -6.976 4.461 9.297 1.00 0.00 C ATOM 525 CD1 PHE A 34 -6.882 4.095 10.654 1.00 0.00 C ATOM 526 CD2 PHE A 34 -6.345 3.670 8.319 1.00 0.00 C ATOM 527 CE1 PHE A 34 -6.114 2.981 11.032 1.00 0.00 C ATOM 528 CE2 PHE A 34 -5.566 2.564 8.698 1.00 0.00 C ATOM 529 CZ PHE A 34 -5.428 2.236 10.057 1.00 0.00 C ATOM 0 H PHE A 34 -8.761 7.906 8.566 1.00 0.00 H new ATOM 0 HA PHE A 34 -9.246 5.362 7.639 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -7.031 6.185 8.051 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.382 6.503 9.739 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -7.401 4.672 11.405 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.460 3.914 7.273 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -6.051 2.697 12.072 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -5.074 1.966 7.945 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.795 1.412 10.353 1.00 0.00 H new ATOM 539 N ASN A 35 -10.306 3.873 9.285 1.00 0.00 N ATOM 540 CA ASN A 35 -10.859 2.895 10.210 1.00 0.00 C ATOM 541 C ASN A 35 -9.766 1.882 10.521 1.00 0.00 C ATOM 542 O ASN A 35 -9.332 1.780 11.665 1.00 0.00 O ATOM 543 CB ASN A 35 -12.092 2.194 9.628 1.00 0.00 C ATOM 544 CG ASN A 35 -13.288 3.124 9.476 1.00 0.00 C ATOM 545 OD1 ASN A 35 -13.665 3.486 8.366 1.00 0.00 O ATOM 546 ND2 ASN A 35 -13.918 3.505 10.585 1.00 0.00 N ATOM 0 H ASN A 35 -10.302 3.557 8.315 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.188 3.400 11.118 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.839 1.774 8.654 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -12.367 1.360 10.273 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -14.735 4.112 10.524 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -13.584 3.189 11.496 1.00 0.00 H new ATOM 553 N LYS A 36 -9.340 1.120 9.508 1.00 0.00 N ATOM 554 CA LYS A 36 -8.342 0.069 9.658 1.00 0.00 C ATOM 555 C LYS A 36 -7.943 -0.475 8.289 1.00 0.00 C ATOM 556 O LYS A 36 -8.615 -0.197 7.301 1.00 0.00 O ATOM 557 CB LYS A 36 -8.873 -1.058 10.568 1.00 0.00 C ATOM 558 CG LYS A 36 -7.969 -1.186 11.797 1.00 0.00 C ATOM 559 CD LYS A 36 -8.590 -2.109 12.852 1.00 0.00 C ATOM 560 CE LYS A 36 -7.689 -2.174 14.089 1.00 0.00 C ATOM 561 NZ LYS A 36 -8.308 -2.958 15.170 1.00 0.00 N ATOM 0 H LYS A 36 -9.685 1.221 8.553 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.456 0.491 10.132 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.896 -0.841 10.876 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.898 -2.001 10.021 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.997 -1.576 11.497 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.797 -0.200 12.229 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.578 -1.743 13.131 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.726 -3.108 12.438 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.731 -2.619 13.819 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.483 -1.164 14.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.670 -2.981 15.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.210 -2.519 15.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.481 -3.929 14.839 1.00 0.00 H new ATOM 575 N VAL A 37 -6.862 -1.259 8.236 1.00 0.00 N ATOM 576 CA VAL A 37 -6.448 -2.013 7.060 1.00 0.00 C ATOM 577 C VAL A 37 -6.884 -3.466 7.220 1.00 0.00 C ATOM 578 O VAL A 37 -6.828 -3.995 8.330 1.00 0.00 O ATOM 579 CB VAL A 37 -4.935 -1.858 6.851 1.00 0.00 C ATOM 580 CG1 VAL A 37 -4.098 -2.404 8.011 1.00 0.00 C ATOM 581 CG2 VAL A 37 -4.474 -2.506 5.543 1.00 0.00 C ATOM 0 H VAL A 37 -6.238 -1.387 9.033 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.929 -1.626 6.162 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.767 -0.782 6.803 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.039 -2.261 7.795 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.356 -1.873 8.927 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.302 -3.467 8.138 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.398 -2.375 5.432 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.710 -3.570 5.561 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.986 -2.035 4.704 1.00 0.00 H new ATOM 591 N ILE A 38 -7.312 -4.098 6.124 1.00 0.00 N ATOM 592 CA ILE A 38 -7.718 -5.499 6.115 1.00 0.00 C ATOM 593 C ILE A 38 -7.197 -6.194 4.853 1.00 0.00 C ATOM 594 O ILE A 38 -6.528 -5.578 4.026 1.00 0.00 O ATOM 595 CB ILE A 38 -9.238 -5.656 6.356 1.00 0.00 C ATOM 596 CG1 ILE A 38 -10.147 -4.919 5.356 1.00 0.00 C ATOM 597 CG2 ILE A 38 -9.612 -5.192 7.772 1.00 0.00 C ATOM 598 CD1 ILE A 38 -10.151 -5.562 3.969 1.00 0.00 C ATOM 0 H ILE A 38 -7.386 -3.645 5.213 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.255 -6.014 6.956 1.00 0.00 H new ATOM 0 HB ILE A 38 -9.418 -6.722 6.216 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -11.165 -4.899 5.745 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.819 -3.883 5.270 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.685 -5.310 7.922 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.075 -5.793 8.506 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.342 -4.143 7.894 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.810 -4.998 3.308 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -9.139 -5.558 3.563 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -10.507 -6.589 4.045 1.00 0.00 H new ATOM 610 N ARG A 39 -7.444 -7.502 4.744 1.00 0.00 N ATOM 611 CA ARG A 39 -6.886 -8.344 3.695 1.00 0.00 C ATOM 612 C ARG A 39 -7.354 -7.929 2.287 1.00 0.00 C ATOM 613 O ARG A 39 -8.458 -7.409 2.138 1.00 0.00 O ATOM 614 CB ARG A 39 -7.231 -9.816 3.983 1.00 0.00 C ATOM 615 CG ARG A 39 -8.744 -10.071 4.105 1.00 0.00 C ATOM 616 CD ARG A 39 -9.058 -11.570 4.127 1.00 0.00 C ATOM 617 NE ARG A 39 -8.435 -12.243 5.274 1.00 0.00 N ATOM 618 CZ ARG A 39 -8.539 -13.555 5.529 1.00 0.00 C ATOM 619 NH1 ARG A 39 -9.250 -14.344 4.717 1.00 0.00 N ATOM 620 NH2 ARG A 39 -7.930 -14.071 6.601 1.00 0.00 N ATOM 0 H ARG A 39 -8.046 -8.008 5.393 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.804 -8.215 3.703 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.827 -10.440 3.186 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.742 -10.123 4.907 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.121 -9.605 5.016 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.262 -9.601 3.269 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -10.138 -11.714 4.164 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.707 -12.028 3.202 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.887 -11.674 5.919 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.716 -13.948 3.900 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.327 -15.342 4.914 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.389 -13.467 7.220 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.006 -15.069 6.800 1.00 0.00 H new ATOM 634 N PRO A 40 -6.563 -8.207 1.237 1.00 0.00 N ATOM 635 CA PRO A 40 -5.211 -8.729 1.289 1.00 0.00 C ATOM 636 C PRO A 40 -4.242 -7.567 1.514 1.00 0.00 C ATOM 637 O PRO A 40 -4.619 -6.400 1.408 1.00 0.00 O ATOM 638 CB PRO A 40 -4.999 -9.362 -0.087 1.00 0.00 C ATOM 639 CG PRO A 40 -5.771 -8.423 -1.014 1.00 0.00 C ATOM 640 CD PRO A 40 -6.923 -7.918 -0.141 1.00 0.00 C ATOM 0 HA PRO A 40 -5.048 -9.448 2.092 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.943 -9.412 -0.351 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.387 -10.380 -0.128 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.145 -7.603 -1.365 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.137 -8.945 -1.898 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.077 -6.848 -0.284 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.857 -8.413 -0.409 1.00 0.00 H new ATOM 648 N CYS A 41 -2.983 -7.902 1.799 1.00 0.00 N ATOM 649 CA CYS A 41 -1.892 -6.945 1.795 1.00 0.00 C ATOM 650 C CYS A 41 -0.734 -7.561 1.022 1.00 0.00 C ATOM 651 O CYS A 41 -0.010 -8.412 1.534 1.00 0.00 O ATOM 652 CB CYS A 41 -1.480 -6.565 3.209 1.00 0.00 C ATOM 653 SG CYS A 41 -0.129 -5.386 3.019 1.00 0.00 S ATOM 0 H CYS A 41 -2.697 -8.851 2.039 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.210 -6.020 1.313 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.313 -6.122 3.755 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.160 -7.441 3.773 1.00 0.00 H new ATOM 0 HG CYS A 41 -0.097 -4.956 1.792 1.00 0.00 H new ATOM 659 N MET A 42 -0.627 -7.187 -0.247 1.00 0.00 N ATOM 660 CA MET A 42 0.326 -7.717 -1.203 1.00 0.00 C ATOM 661 C MET A 42 1.629 -6.952 -1.032 1.00 0.00 C ATOM 662 O MET A 42 1.587 -5.728 -1.100 1.00 0.00 O ATOM 663 CB MET A 42 -0.292 -7.613 -2.617 1.00 0.00 C ATOM 664 CG MET A 42 0.521 -6.826 -3.657 1.00 0.00 C ATOM 665 SD MET A 42 -0.184 -6.830 -5.325 1.00 0.00 S ATOM 666 CE MET A 42 1.074 -5.884 -6.211 1.00 0.00 C ATOM 0 H MET A 42 -1.232 -6.473 -0.652 1.00 0.00 H new ATOM 0 HA MET A 42 0.551 -8.771 -1.042 1.00 0.00 H new ATOM 0 HB2 MET A 42 -0.449 -8.622 -2.997 1.00 0.00 H new ATOM 0 HB3 MET A 42 -1.275 -7.150 -2.528 1.00 0.00 H new ATOM 0 HG2 MET A 42 0.616 -5.794 -3.319 1.00 0.00 H new ATOM 0 HG3 MET A 42 1.528 -7.241 -3.701 1.00 0.00 H new ATOM 0 HE1 MET A 42 0.748 -5.718 -7.238 1.00 0.00 H new ATOM 0 HE2 MET A 42 1.222 -4.924 -5.717 1.00 0.00 H new ATOM 0 HE3 MET A 42 2.012 -6.439 -6.213 1.00 0.00 H new ATOM 676 N LYS A 43 2.767 -7.634 -0.835 1.00 0.00 N ATOM 677 CA LYS A 43 4.063 -6.965 -0.914 1.00 0.00 C ATOM 678 C LYS A 43 4.824 -7.519 -2.107 1.00 0.00 C ATOM 679 O LYS A 43 5.209 -8.684 -2.057 1.00 0.00 O ATOM 680 CB LYS A 43 4.872 -7.188 0.369 1.00 0.00 C ATOM 681 CG LYS A 43 6.289 -6.607 0.221 1.00 0.00 C ATOM 682 CD LYS A 43 7.088 -6.711 1.526 1.00 0.00 C ATOM 683 CE LYS A 43 7.534 -8.154 1.800 1.00 0.00 C ATOM 684 NZ LYS A 43 8.343 -8.238 3.028 1.00 0.00 N ATOM 0 H LYS A 43 2.812 -8.631 -0.624 1.00 0.00 H new ATOM 0 HA LYS A 43 3.907 -5.893 -1.031 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.366 -6.717 1.212 1.00 0.00 H new ATOM 0 HB3 LYS A 43 4.931 -8.254 0.588 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.818 -7.136 -0.572 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.223 -5.562 -0.082 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.963 -6.063 1.471 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.479 -6.354 2.356 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.658 -8.796 1.894 1.00 0.00 H new ATOM 0 HE3 LYS A 43 8.113 -8.525 0.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.630 -9.225 3.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.190 -7.643 2.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.781 -7.906 3.837 1.00 0.00 H new ATOM 698 N LYS A 44 5.074 -6.696 -3.137 1.00 0.00 N ATOM 699 CA LYS A 44 5.900 -7.040 -4.293 1.00 0.00 C ATOM 700 C LYS A 44 7.166 -6.184 -4.341 1.00 0.00 C ATOM 701 O LYS A 44 7.126 -4.993 -4.045 1.00 0.00 O ATOM 702 CB LYS A 44 5.084 -6.923 -5.592 1.00 0.00 C ATOM 703 CG LYS A 44 5.865 -7.469 -6.801 1.00 0.00 C ATOM 704 CD LYS A 44 4.974 -8.250 -7.776 1.00 0.00 C ATOM 705 CE LYS A 44 5.826 -9.049 -8.772 1.00 0.00 C ATOM 706 NZ LYS A 44 6.757 -8.192 -9.527 1.00 0.00 N ATOM 0 H LYS A 44 4.695 -5.750 -3.185 1.00 0.00 H new ATOM 0 HA LYS A 44 6.218 -8.078 -4.192 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.148 -7.471 -5.485 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.824 -5.879 -5.767 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.335 -6.640 -7.329 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.667 -8.118 -6.448 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.325 -8.927 -7.220 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.326 -7.560 -8.316 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.392 -9.810 -8.234 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.171 -9.572 -9.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.199 -8.746 -10.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.236 -7.392 -9.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.494 -7.833 -8.888 1.00 0.00 H new ATOM 720 N THR A 45 8.292 -6.788 -4.732 1.00 0.00 N ATOM 721 CA THR A 45 9.509 -6.047 -5.029 1.00 0.00 C ATOM 722 C THR A 45 9.318 -5.329 -6.369 1.00 0.00 C ATOM 723 O THR A 45 8.713 -5.894 -7.280 1.00 0.00 O ATOM 724 CB THR A 45 10.731 -6.991 -4.996 1.00 0.00 C ATOM 725 OG1 THR A 45 11.810 -6.358 -4.341 1.00 0.00 O ATOM 726 CG2 THR A 45 11.213 -7.451 -6.378 1.00 0.00 C ATOM 0 H THR A 45 8.380 -7.797 -4.849 1.00 0.00 H new ATOM 0 HA THR A 45 9.707 -5.288 -4.273 1.00 0.00 H new ATOM 0 HB THR A 45 10.395 -7.879 -4.460 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.488 -5.925 -3.523 1.00 0.00 H new ATOM 0 HG21 THR A 45 12.074 -8.110 -6.262 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.410 -7.988 -6.883 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.498 -6.582 -6.972 1.00 0.00 H new ATOM 734 N ILE A 46 9.836 -4.105 -6.495 1.00 0.00 N ATOM 735 CA ILE A 46 9.779 -3.313 -7.714 1.00 0.00 C ATOM 736 C ILE A 46 11.194 -3.136 -8.267 1.00 0.00 C ATOM 737 O ILE A 46 12.104 -2.629 -7.605 1.00 0.00 O ATOM 738 CB ILE A 46 8.963 -2.016 -7.510 1.00 0.00 C ATOM 739 CG1 ILE A 46 7.759 -1.961 -8.469 1.00 0.00 C ATOM 740 CG2 ILE A 46 9.765 -0.718 -7.685 1.00 0.00 C ATOM 741 CD1 ILE A 46 6.729 -3.067 -8.207 1.00 0.00 C ATOM 0 H ILE A 46 10.317 -3.631 -5.731 1.00 0.00 H new ATOM 0 HA ILE A 46 9.222 -3.837 -8.491 1.00 0.00 H new ATOM 0 HB ILE A 46 8.642 -2.066 -6.470 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.272 -0.990 -8.376 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.116 -2.041 -9.496 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.111 0.139 -7.523 1.00 0.00 H new ATOM 0 HG22 ILE A 46 10.580 -0.694 -6.962 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.174 -0.676 -8.694 1.00 0.00 H new ATOM 0 HD11 ILE A 46 5.906 -2.973 -8.915 1.00 0.00 H new ATOM 0 HD12 ILE A 46 7.203 -4.041 -8.328 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.346 -2.974 -7.191 1.00 0.00 H new ATOM 753 N TYR A 47 11.383 -3.617 -9.492 1.00 0.00 N ATOM 754 CA TYR A 47 12.650 -3.630 -10.184 1.00 0.00 C ATOM 755 C TYR A 47 12.358 -3.566 -11.674 1.00 0.00 C ATOM 756 O TYR A 47 11.190 -3.552 -12.061 1.00 0.00 O ATOM 757 CB TYR A 47 13.429 -4.887 -9.786 1.00 0.00 C ATOM 758 CG TYR A 47 13.036 -6.201 -10.423 1.00 0.00 C ATOM 759 CD1 TYR A 47 11.789 -6.790 -10.139 1.00 0.00 C ATOM 760 CD2 TYR A 47 14.002 -6.930 -11.136 1.00 0.00 C ATOM 761 CE1 TYR A 47 11.471 -8.049 -10.674 1.00 0.00 C ATOM 762 CE2 TYR A 47 13.687 -8.191 -11.659 1.00 0.00 C ATOM 763 CZ TYR A 47 12.389 -8.703 -11.517 1.00 0.00 C ATOM 764 OH TYR A 47 12.028 -9.828 -12.194 1.00 0.00 O ATOM 0 H TYR A 47 10.625 -4.021 -10.043 1.00 0.00 H new ATOM 0 HA TYR A 47 13.272 -2.776 -9.916 1.00 0.00 H new ATOM 0 HB2 TYR A 47 14.482 -4.711 -10.008 1.00 0.00 H new ATOM 0 HB3 TYR A 47 13.346 -5.002 -8.705 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.078 -6.274 -9.511 1.00 0.00 H new ATOM 0 HD2 TYR A 47 14.990 -6.518 -11.281 1.00 0.00 H new ATOM 0 HE1 TYR A 47 10.525 -8.514 -10.439 1.00 0.00 H new ATOM 0 HE2 TYR A 47 14.443 -8.768 -12.171 1.00 0.00 H new ATOM 0 HH TYR A 47 12.786 -10.145 -12.729 1.00 0.00 H new ATOM 884 N ILE A 55 17.039 -4.231 -7.895 1.00 0.00 N ATOM 885 CA ILE A 55 15.793 -3.809 -7.278 1.00 0.00 C ATOM 886 C ILE A 55 15.852 -2.304 -7.035 1.00 0.00 C ATOM 887 O ILE A 55 16.816 -1.806 -6.458 1.00 0.00 O ATOM 888 CB ILE A 55 15.532 -4.624 -5.993 1.00 0.00 C ATOM 889 CG1 ILE A 55 15.302 -6.104 -6.358 1.00 0.00 C ATOM 890 CG2 ILE A 55 14.321 -4.074 -5.223 1.00 0.00 C ATOM 891 CD1 ILE A 55 15.335 -7.036 -5.143 1.00 0.00 C ATOM 0 HA ILE A 55 14.947 -4.005 -7.937 1.00 0.00 H new ATOM 0 HB ILE A 55 16.406 -4.540 -5.347 1.00 0.00 H new ATOM 0 HG12 ILE A 55 14.338 -6.203 -6.858 1.00 0.00 H new ATOM 0 HG13 ILE A 55 16.065 -6.419 -7.070 1.00 0.00 H new ATOM 0 HG21 ILE A 55 14.162 -4.668 -4.323 1.00 0.00 H new ATOM 0 HG22 ILE A 55 14.507 -3.037 -4.945 1.00 0.00 H new ATOM 0 HG23 ILE A 55 13.434 -4.127 -5.854 1.00 0.00 H new ATOM 0 HD11 ILE A 55 15.167 -8.063 -5.467 1.00 0.00 H new ATOM 0 HD12 ILE A 55 16.307 -6.964 -4.656 1.00 0.00 H new ATOM 0 HD13 ILE A 55 14.554 -6.745 -4.440 1.00 0.00 H new ATOM 903 N LYS A 56 14.821 -1.585 -7.489 1.00 0.00 N ATOM 904 CA LYS A 56 14.716 -0.145 -7.310 1.00 0.00 C ATOM 905 C LYS A 56 13.961 0.144 -6.014 1.00 0.00 C ATOM 906 O LYS A 56 14.249 1.121 -5.321 1.00 0.00 O ATOM 907 CB LYS A 56 14.040 0.462 -8.551 1.00 0.00 C ATOM 908 CG LYS A 56 14.115 1.997 -8.594 1.00 0.00 C ATOM 909 CD LYS A 56 12.850 2.664 -8.033 1.00 0.00 C ATOM 910 CE LYS A 56 13.024 4.184 -7.901 1.00 0.00 C ATOM 911 NZ LYS A 56 13.358 4.823 -9.187 1.00 0.00 N ATOM 0 H LYS A 56 14.034 -1.994 -7.993 1.00 0.00 H new ATOM 0 HA LYS A 56 15.698 0.318 -7.217 1.00 0.00 H new ATOM 0 HB2 LYS A 56 14.510 0.057 -9.447 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.994 0.155 -8.573 1.00 0.00 H new ATOM 0 HG2 LYS A 56 14.982 2.331 -8.023 1.00 0.00 H new ATOM 0 HG3 LYS A 56 14.267 2.321 -9.623 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.004 2.449 -8.686 1.00 0.00 H new ATOM 0 HD3 LYS A 56 12.615 2.238 -7.058 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.105 4.620 -7.509 1.00 0.00 H new ATOM 0 HE3 LYS A 56 13.811 4.396 -7.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 13.332 5.857 -9.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.311 4.530 -9.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.667 4.534 -9.908 1.00 0.00 H new ATOM 925 N GLY A 57 12.974 -0.692 -5.685 1.00 0.00 N ATOM 926 CA GLY A 57 12.092 -0.438 -4.568 1.00 0.00 C ATOM 927 C GLY A 57 11.134 -1.600 -4.345 1.00 0.00 C ATOM 928 O GLY A 57 11.448 -2.747 -4.665 1.00 0.00 O ATOM 0 H GLY A 57 12.773 -1.556 -6.188 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.682 -0.272 -3.667 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.524 0.474 -4.750 1.00 0.00 H new ATOM 932 N TYR A 58 9.963 -1.297 -3.786 1.00 0.00 N ATOM 933 CA TYR A 58 8.914 -2.241 -3.464 1.00 0.00 C ATOM 934 C TYR A 58 7.576 -1.520 -3.609 1.00 0.00 C ATOM 935 O TYR A 58 7.531 -0.289 -3.548 1.00 0.00 O ATOM 936 CB TYR A 58 9.078 -2.754 -2.028 1.00 0.00 C ATOM 937 CG TYR A 58 10.489 -3.156 -1.627 1.00 0.00 C ATOM 938 CD1 TYR A 58 11.418 -2.171 -1.241 1.00 0.00 C ATOM 939 CD2 TYR A 58 10.910 -4.493 -1.746 1.00 0.00 C ATOM 940 CE1 TYR A 58 12.762 -2.507 -1.031 1.00 0.00 C ATOM 941 CE2 TYR A 58 12.261 -4.828 -1.547 1.00 0.00 C ATOM 942 CZ TYR A 58 13.192 -3.830 -1.213 1.00 0.00 C ATOM 943 OH TYR A 58 14.512 -4.134 -1.070 1.00 0.00 O ATOM 0 H TYR A 58 9.716 -0.339 -3.537 1.00 0.00 H new ATOM 0 HA TYR A 58 8.963 -3.098 -4.136 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.733 -1.979 -1.344 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.423 -3.614 -1.892 1.00 0.00 H new ATOM 0 HD1 TYR A 58 11.093 -1.150 -1.106 1.00 0.00 H new ATOM 0 HD2 TYR A 58 10.194 -5.264 -1.991 1.00 0.00 H new ATOM 0 HE1 TYR A 58 13.467 -1.747 -0.729 1.00 0.00 H new ATOM 0 HE2 TYR A 58 12.583 -5.853 -1.651 1.00 0.00 H new ATOM 0 HH TYR A 58 15.014 -3.319 -0.859 1.00 0.00 H new ATOM 953 N GLU A 59 6.506 -2.296 -3.766 1.00 0.00 N ATOM 954 CA GLU A 59 5.121 -1.861 -3.738 1.00 0.00 C ATOM 955 C GLU A 59 4.370 -2.717 -2.728 1.00 0.00 C ATOM 956 O GLU A 59 4.627 -3.917 -2.610 1.00 0.00 O ATOM 957 CB GLU A 59 4.472 -1.983 -5.119 1.00 0.00 C ATOM 958 CG GLU A 59 4.946 -0.863 -6.054 1.00 0.00 C ATOM 959 CD GLU A 59 4.253 -0.896 -7.415 1.00 0.00 C ATOM 960 OE1 GLU A 59 3.335 -1.730 -7.582 1.00 0.00 O ATOM 961 OE2 GLU A 59 4.661 -0.082 -8.271 1.00 0.00 O ATOM 0 H GLU A 59 6.592 -3.300 -3.925 1.00 0.00 H new ATOM 0 HA GLU A 59 5.080 -0.810 -3.450 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.716 -2.952 -5.554 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.387 -1.943 -5.019 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.762 0.102 -5.581 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.023 -0.947 -6.198 1.00 0.00 H new ATOM 968 N TYR A 60 3.443 -2.081 -2.014 1.00 0.00 N ATOM 969 CA TYR A 60 2.608 -2.676 -0.997 1.00 0.00 C ATOM 970 C TYR A 60 1.178 -2.325 -1.388 1.00 0.00 C ATOM 971 O TYR A 60 0.788 -1.160 -1.276 1.00 0.00 O ATOM 972 CB TYR A 60 2.951 -2.105 0.377 1.00 0.00 C ATOM 973 CG TYR A 60 4.415 -2.188 0.764 1.00 0.00 C ATOM 974 CD1 TYR A 60 5.326 -1.217 0.304 1.00 0.00 C ATOM 975 CD2 TYR A 60 4.864 -3.216 1.614 1.00 0.00 C ATOM 976 CE1 TYR A 60 6.679 -1.285 0.675 1.00 0.00 C ATOM 977 CE2 TYR A 60 6.206 -3.250 2.027 1.00 0.00 C ATOM 978 CZ TYR A 60 7.116 -2.292 1.552 1.00 0.00 C ATOM 979 OH TYR A 60 8.412 -2.349 1.971 1.00 0.00 O ATOM 0 H TYR A 60 3.252 -1.087 -2.143 1.00 0.00 H new ATOM 0 HA TYR A 60 2.752 -3.754 -0.932 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.643 -1.060 0.406 1.00 0.00 H new ATOM 0 HB3 TYR A 60 2.363 -2.631 1.129 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.983 -0.418 -0.336 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.177 -3.979 1.949 1.00 0.00 H new ATOM 0 HE1 TYR A 60 7.383 -0.564 0.286 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.539 -4.016 2.712 1.00 0.00 H new ATOM 0 HH TYR A 60 8.893 -1.555 1.657 1.00 0.00 H new ATOM 989 N GLN A 61 0.429 -3.298 -1.904 1.00 0.00 N ATOM 990 CA GLN A 61 -0.924 -3.052 -2.406 1.00 0.00 C ATOM 991 C GLN A 61 -1.911 -3.636 -1.398 1.00 0.00 C ATOM 992 O GLN A 61 -1.862 -4.840 -1.148 1.00 0.00 O ATOM 993 CB GLN A 61 -1.051 -3.645 -3.814 1.00 0.00 C ATOM 994 CG GLN A 61 -2.096 -2.941 -4.677 1.00 0.00 C ATOM 995 CD GLN A 61 -2.033 -3.465 -6.110 1.00 0.00 C ATOM 996 OE1 GLN A 61 -2.671 -4.453 -6.450 1.00 0.00 O ATOM 997 NE2 GLN A 61 -1.248 -2.822 -6.968 1.00 0.00 N ATOM 0 H GLN A 61 0.736 -4.267 -1.986 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.145 -1.989 -2.502 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.083 -3.590 -4.312 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -1.309 -4.701 -3.733 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -3.091 -3.107 -4.264 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.922 -1.865 -4.667 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.725 -2.001 -6.664 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -1.168 -3.150 -7.931 1.00 0.00 H new ATOM 1006 N LEU A 62 -2.768 -2.813 -0.780 1.00 0.00 N ATOM 1007 CA LEU A 62 -3.532 -3.247 0.384 1.00 0.00 C ATOM 1008 C LEU A 62 -4.880 -2.543 0.476 1.00 0.00 C ATOM 1009 O LEU A 62 -5.000 -1.387 0.073 1.00 0.00 O ATOM 1010 CB LEU A 62 -2.670 -3.076 1.648 1.00 0.00 C ATOM 1011 CG LEU A 62 -1.975 -1.708 1.835 1.00 0.00 C ATOM 1012 CD1 LEU A 62 -2.798 -0.740 2.689 1.00 0.00 C ATOM 1013 CD2 LEU A 62 -0.621 -1.926 2.520 1.00 0.00 C ATOM 0 H LEU A 62 -2.945 -1.851 -1.068 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.774 -4.305 0.283 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.301 -3.258 2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.902 -3.850 1.643 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.859 -1.266 0.846 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.262 0.204 2.787 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.762 -0.562 2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.957 -1.172 3.677 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.123 -0.966 2.656 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.776 -2.395 3.492 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.001 -2.572 1.900 1.00 0.00 H new ATOM 1025 N TYR A 63 -5.901 -3.243 0.984 1.00 0.00 N ATOM 1026 CA TYR A 63 -7.234 -2.689 1.141 1.00 0.00 C ATOM 1027 C TYR A 63 -7.349 -2.005 2.503 1.00 0.00 C ATOM 1028 O TYR A 63 -7.317 -2.664 3.546 1.00 0.00 O ATOM 1029 CB TYR A 63 -8.294 -3.789 0.958 1.00 0.00 C ATOM 1030 CG TYR A 63 -8.819 -3.985 -0.457 1.00 0.00 C ATOM 1031 CD1 TYR A 63 -9.167 -2.879 -1.253 1.00 0.00 C ATOM 1032 CD2 TYR A 63 -9.101 -5.277 -0.935 1.00 0.00 C ATOM 1033 CE1 TYR A 63 -9.527 -3.065 -2.597 1.00 0.00 C ATOM 1034 CE2 TYR A 63 -9.443 -5.470 -2.286 1.00 0.00 C ATOM 1035 CZ TYR A 63 -9.609 -4.360 -3.129 1.00 0.00 C ATOM 1036 OH TYR A 63 -9.916 -4.526 -4.446 1.00 0.00 O ATOM 0 H TYR A 63 -5.817 -4.211 1.296 1.00 0.00 H new ATOM 0 HA TYR A 63 -7.412 -1.937 0.372 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -7.871 -4.733 1.301 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -9.139 -3.563 1.609 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.157 -1.885 -0.830 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -9.055 -6.122 -0.264 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -9.741 -2.210 -3.222 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -9.577 -6.469 -2.673 1.00 0.00 H new ATOM 0 HH TYR A 63 -9.933 -5.482 -4.660 1.00 0.00 H new ATOM 1046 N VAL A 64 -7.489 -0.678 2.481 1.00 0.00 N ATOM 1047 CA VAL A 64 -7.704 0.137 3.662 1.00 0.00 C ATOM 1048 C VAL A 64 -9.154 0.610 3.698 1.00 0.00 C ATOM 1049 O VAL A 64 -9.740 0.953 2.670 1.00 0.00 O ATOM 1050 CB VAL A 64 -6.659 1.260 3.739 1.00 0.00 C ATOM 1051 CG1 VAL A 64 -6.787 2.286 2.613 1.00 0.00 C ATOM 1052 CG2 VAL A 64 -6.710 1.975 5.095 1.00 0.00 C ATOM 0 H VAL A 64 -7.454 -0.135 1.618 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.555 -0.450 4.568 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.693 0.768 3.621 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -6.019 3.051 2.728 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -6.662 1.788 1.651 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.772 2.752 2.655 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -5.959 2.764 5.119 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.699 2.411 5.240 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.509 1.259 5.892 1.00 0.00 H new ATOM 1062 N TYR A 65 -9.737 0.576 4.894 1.00 0.00 N ATOM 1063 CA TYR A 65 -11.101 0.956 5.189 1.00 0.00 C ATOM 1064 C TYR A 65 -11.047 2.329 5.854 1.00 0.00 C ATOM 1065 O TYR A 65 -10.342 2.504 6.852 1.00 0.00 O ATOM 1066 CB TYR A 65 -11.724 -0.122 6.091 1.00 0.00 C ATOM 1067 CG TYR A 65 -13.240 -0.199 6.085 1.00 0.00 C ATOM 1068 CD1 TYR A 65 -13.907 -0.478 4.878 1.00 0.00 C ATOM 1069 CD2 TYR A 65 -13.951 -0.270 7.298 1.00 0.00 C ATOM 1070 CE1 TYR A 65 -15.264 -0.836 4.879 1.00 0.00 C ATOM 1071 CE2 TYR A 65 -15.314 -0.618 7.297 1.00 0.00 C ATOM 1072 CZ TYR A 65 -15.963 -0.926 6.089 1.00 0.00 C ATOM 1073 OH TYR A 65 -17.268 -1.312 6.082 1.00 0.00 O ATOM 0 H TYR A 65 -9.235 0.264 5.725 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.725 1.026 4.298 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -11.329 -1.092 5.790 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -11.393 0.053 7.115 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -13.370 -0.416 3.943 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -13.449 -0.057 8.230 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.769 -1.042 3.947 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -15.863 -0.649 8.227 1.00 0.00 H new ATOM 0 HH TYR A 65 -17.744 -0.870 6.816 1.00 0.00 H new ATOM 1083 N ALA A 66 -11.744 3.310 5.279 1.00 0.00 N ATOM 1084 CA ALA A 66 -11.782 4.678 5.771 1.00 0.00 C ATOM 1085 C ALA A 66 -13.199 5.212 5.601 1.00 0.00 C ATOM 1086 O ALA A 66 -13.796 5.032 4.544 1.00 0.00 O ATOM 1087 CB ALA A 66 -10.772 5.535 5.004 1.00 0.00 C ATOM 0 H ALA A 66 -12.308 3.167 4.441 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.511 4.712 6.826 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -10.806 6.559 5.377 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -9.770 5.130 5.145 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.020 5.528 3.943 1.00 0.00 H new ATOM 1093 N SER A 67 -13.754 5.828 6.647 1.00 0.00 N ATOM 1094 CA SER A 67 -15.141 6.276 6.700 1.00 0.00 C ATOM 1095 C SER A 67 -16.102 5.181 6.206 1.00 0.00 C ATOM 1096 O SER A 67 -17.046 5.451 5.469 1.00 0.00 O ATOM 1097 CB SER A 67 -15.285 7.596 5.925 1.00 0.00 C ATOM 1098 OG SER A 67 -16.379 8.356 6.400 1.00 0.00 O ATOM 0 H SER A 67 -13.235 6.033 7.501 1.00 0.00 H new ATOM 0 HA SER A 67 -15.421 6.469 7.736 1.00 0.00 H new ATOM 0 HB2 SER A 67 -14.368 8.177 6.020 1.00 0.00 H new ATOM 0 HB3 SER A 67 -15.420 7.384 4.864 1.00 0.00 H new ATOM 0 HG SER A 67 -16.444 9.190 5.889 1.00 0.00 H new ATOM 1104 N ASP A 68 -15.842 3.932 6.605 1.00 0.00 N ATOM 1105 CA ASP A 68 -16.627 2.755 6.245 1.00 0.00 C ATOM 1106 C ASP A 68 -16.636 2.467 4.733 1.00 0.00 C ATOM 1107 O ASP A 68 -17.494 1.729 4.256 1.00 0.00 O ATOM 1108 CB ASP A 68 -18.041 2.869 6.843 1.00 0.00 C ATOM 1109 CG ASP A 68 -18.795 1.542 6.862 1.00 0.00 C ATOM 1110 OD1 ASP A 68 -18.317 0.628 7.570 1.00 0.00 O ATOM 1111 OD2 ASP A 68 -19.852 1.469 6.200 1.00 0.00 O ATOM 0 H ASP A 68 -15.051 3.709 7.209 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.141 1.883 6.682 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -17.968 3.253 7.861 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -18.614 3.597 6.268 1.00 0.00 H new ATOM 1116 N LYS A 69 -15.674 3.007 3.973 1.00 0.00 N ATOM 1117 CA LYS A 69 -15.495 2.749 2.549 1.00 0.00 C ATOM 1118 C LYS A 69 -14.174 2.007 2.370 1.00 0.00 C ATOM 1119 O LYS A 69 -13.175 2.401 2.975 1.00 0.00 O ATOM 1120 CB LYS A 69 -15.431 4.073 1.776 1.00 0.00 C ATOM 1121 CG LYS A 69 -16.669 4.964 1.931 1.00 0.00 C ATOM 1122 CD LYS A 69 -17.899 4.372 1.236 1.00 0.00 C ATOM 1123 CE LYS A 69 -19.059 5.369 1.309 1.00 0.00 C ATOM 1124 NZ LYS A 69 -20.237 4.876 0.575 1.00 0.00 N ATOM 0 H LYS A 69 -14.981 3.654 4.349 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.330 2.160 2.171 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.555 4.630 2.108 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -15.287 3.854 0.718 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -16.884 5.103 2.990 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -16.459 5.950 1.517 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -17.667 4.144 0.196 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -18.182 3.433 1.713 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -19.325 5.545 2.351 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -18.744 6.327 0.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -21.005 5.573 0.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -19.988 4.732 -0.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -20.550 3.974 0.987 1.00 0.00 H new ATOM 1138 N LEU A 70 -14.159 0.951 1.550 1.00 0.00 N ATOM 1139 CA LEU A 70 -12.953 0.190 1.262 1.00 0.00 C ATOM 1140 C LEU A 70 -12.290 0.761 0.010 1.00 0.00 C ATOM 1141 O LEU A 70 -12.943 0.900 -1.026 1.00 0.00 O ATOM 1142 CB LEU A 70 -13.299 -1.298 1.105 1.00 0.00 C ATOM 1143 CG LEU A 70 -12.079 -2.221 1.264 1.00 0.00 C ATOM 1144 CD1 LEU A 70 -11.654 -2.325 2.736 1.00 0.00 C ATOM 1145 CD2 LEU A 70 -12.428 -3.624 0.750 1.00 0.00 C ATOM 0 H LEU A 70 -14.989 0.604 1.069 1.00 0.00 H new ATOM 0 HA LEU A 70 -12.246 0.272 2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -14.052 -1.570 1.845 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -13.744 -1.460 0.123 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.256 -1.798 0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.789 -2.984 2.819 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.393 -1.335 3.110 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.477 -2.730 3.325 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.563 -4.278 0.863 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -13.263 -4.025 1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.705 -3.567 -0.303 1.00 0.00 H new ATOM 1157 N PHE A 71 -11.002 1.096 0.117 1.00 0.00 N ATOM 1158 CA PHE A 71 -10.183 1.613 -0.968 1.00 0.00 C ATOM 1159 C PHE A 71 -8.874 0.832 -1.009 1.00 0.00 C ATOM 1160 O PHE A 71 -8.335 0.458 0.032 1.00 0.00 O ATOM 1161 CB PHE A 71 -9.888 3.096 -0.735 1.00 0.00 C ATOM 1162 CG PHE A 71 -11.027 4.027 -1.102 1.00 0.00 C ATOM 1163 CD1 PHE A 71 -11.979 4.407 -0.137 1.00 0.00 C ATOM 1164 CD2 PHE A 71 -11.024 4.652 -2.362 1.00 0.00 C ATOM 1165 CE1 PHE A 71 -12.902 5.427 -0.428 1.00 0.00 C ATOM 1166 CE2 PHE A 71 -11.969 5.641 -2.663 1.00 0.00 C ATOM 1167 CZ PHE A 71 -12.901 6.041 -1.692 1.00 0.00 C ATOM 0 H PHE A 71 -10.488 1.010 0.994 1.00 0.00 H new ATOM 0 HA PHE A 71 -10.713 1.503 -1.914 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -9.639 3.243 0.316 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -9.007 3.374 -1.314 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -12.000 3.916 0.825 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -10.289 4.368 -3.101 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -13.614 5.739 0.322 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -11.981 6.096 -3.642 1.00 0.00 H new ATOM 0 HZ PHE A 71 -13.616 6.819 -1.916 1.00 0.00 H new ATOM 1177 N ARG A 72 -8.368 0.584 -2.214 1.00 0.00 N ATOM 1178 CA ARG A 72 -7.087 -0.051 -2.433 1.00 0.00 C ATOM 1179 C ARG A 72 -6.013 1.028 -2.384 1.00 0.00 C ATOM 1180 O ARG A 72 -5.945 1.861 -3.287 1.00 0.00 O ATOM 1181 CB ARG A 72 -7.094 -0.765 -3.789 1.00 0.00 C ATOM 1182 CG ARG A 72 -6.212 -2.010 -3.735 1.00 0.00 C ATOM 1183 CD ARG A 72 -6.305 -2.759 -5.064 1.00 0.00 C ATOM 1184 NE ARG A 72 -5.505 -3.978 -4.987 1.00 0.00 N ATOM 1185 CZ ARG A 72 -5.626 -5.039 -5.798 1.00 0.00 C ATOM 1186 NH1 ARG A 72 -6.392 -4.962 -6.892 1.00 0.00 N ATOM 1187 NH2 ARG A 72 -4.968 -6.167 -5.516 1.00 0.00 N ATOM 0 H ARG A 72 -8.853 0.827 -3.078 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.884 -0.797 -1.665 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.113 -1.044 -4.056 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.735 -0.090 -4.565 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.178 -1.728 -3.536 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.529 -2.658 -2.917 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.344 -3.005 -5.284 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.948 -2.127 -5.877 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.795 -4.027 -4.256 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.885 -4.096 -7.110 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.483 -5.770 -7.508 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.377 -6.219 -4.687 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.057 -6.977 -6.130 1.00 0.00 H new ATOM 1201 N ALA A 73 -5.183 1.018 -1.344 1.00 0.00 N ATOM 1202 CA ALA A 73 -4.039 1.899 -1.248 1.00 0.00 C ATOM 1203 C ALA A 73 -2.850 1.131 -1.806 1.00 0.00 C ATOM 1204 O ALA A 73 -2.586 0.009 -1.371 1.00 0.00 O ATOM 1205 CB ALA A 73 -3.808 2.301 0.208 1.00 0.00 C ATOM 0 H ALA A 73 -5.292 0.393 -0.545 1.00 0.00 H new ATOM 0 HA ALA A 73 -4.193 2.820 -1.811 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.945 2.964 0.270 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.690 2.817 0.587 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.624 1.409 0.807 1.00 0.00 H new ATOM 1211 N ASP A 74 -2.145 1.721 -2.770 1.00 0.00 N ATOM 1212 CA ASP A 74 -0.863 1.207 -3.221 1.00 0.00 C ATOM 1213 C ASP A 74 0.197 2.165 -2.707 1.00 0.00 C ATOM 1214 O ASP A 74 0.251 3.319 -3.130 1.00 0.00 O ATOM 1215 CB ASP A 74 -0.841 1.049 -4.741 1.00 0.00 C ATOM 1216 CG ASP A 74 0.334 0.195 -5.216 1.00 0.00 C ATOM 1217 OD1 ASP A 74 1.397 0.244 -4.561 1.00 0.00 O ATOM 1218 OD2 ASP A 74 0.132 -0.520 -6.221 1.00 0.00 O ATOM 0 H ASP A 74 -2.449 2.565 -3.255 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.671 0.208 -2.829 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.775 0.594 -5.071 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.784 2.033 -5.206 1.00 0.00 H new ATOM 1223 N ILE A 75 0.996 1.685 -1.760 1.00 0.00 N ATOM 1224 CA ILE A 75 2.133 2.402 -1.203 1.00 0.00 C ATOM 1225 C ILE A 75 3.374 1.839 -1.882 1.00 0.00 C ATOM 1226 O ILE A 75 3.388 0.673 -2.270 1.00 0.00 O ATOM 1227 CB ILE A 75 2.177 2.256 0.332 1.00 0.00 C ATOM 1228 CG1 ILE A 75 0.939 2.895 0.987 1.00 0.00 C ATOM 1229 CG2 ILE A 75 3.436 2.914 0.917 1.00 0.00 C ATOM 1230 CD1 ILE A 75 -0.214 1.906 1.180 1.00 0.00 C ATOM 0 H ILE A 75 0.865 0.761 -1.349 1.00 0.00 H new ATOM 0 HA ILE A 75 2.063 3.474 -1.389 1.00 0.00 H new ATOM 0 HB ILE A 75 2.192 1.188 0.547 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.220 3.310 1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.598 3.727 0.371 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.439 2.795 2.000 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.323 2.439 0.497 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.441 3.975 0.669 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.057 2.416 1.646 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.520 1.510 0.212 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.113 1.087 1.820 1.00 0.00 H new ATOM 1242 N SER A 76 4.418 2.652 -2.024 1.00 0.00 N ATOM 1243 CA SER A 76 5.686 2.234 -2.590 1.00 0.00 C ATOM 1244 C SER A 76 6.806 2.608 -1.636 1.00 0.00 C ATOM 1245 O SER A 76 6.648 3.551 -0.863 1.00 0.00 O ATOM 1246 CB SER A 76 5.879 2.895 -3.954 1.00 0.00 C ATOM 1247 OG SER A 76 5.774 4.304 -3.856 1.00 0.00 O ATOM 0 H SER A 76 4.401 3.632 -1.743 1.00 0.00 H new ATOM 0 HA SER A 76 5.697 1.153 -2.731 1.00 0.00 H new ATOM 0 HB2 SER A 76 6.856 2.627 -4.357 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.132 2.519 -4.653 1.00 0.00 H new ATOM 0 HG SER A 76 5.082 4.536 -3.202 1.00 0.00 H new ATOM 1253 N GLU A 77 7.916 1.871 -1.711 1.00 0.00 N ATOM 1254 CA GLU A 77 9.179 2.187 -1.067 1.00 0.00 C ATOM 1255 C GLU A 77 10.227 2.240 -2.162 1.00 0.00 C ATOM 1256 O GLU A 77 10.246 1.350 -3.008 1.00 0.00 O ATOM 1257 CB GLU A 77 9.529 1.118 -0.031 1.00 0.00 C ATOM 1258 CG GLU A 77 10.909 1.346 0.610 1.00 0.00 C ATOM 1259 CD GLU A 77 11.257 0.281 1.643 1.00 0.00 C ATOM 1260 OE1 GLU A 77 10.428 -0.638 1.821 1.00 0.00 O ATOM 1261 OE2 GLU A 77 12.355 0.396 2.224 1.00 0.00 O ATOM 0 H GLU A 77 7.954 1.003 -2.246 1.00 0.00 H new ATOM 0 HA GLU A 77 9.125 3.140 -0.540 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.767 1.109 0.749 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.510 0.137 -0.506 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.671 1.354 -0.169 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.928 2.327 1.084 1.00 0.00 H new ATOM 1268 N ASP A 78 11.101 3.246 -2.134 1.00 0.00 N ATOM 1269 CA ASP A 78 12.260 3.324 -2.997 1.00 0.00 C ATOM 1270 C ASP A 78 13.473 2.888 -2.175 1.00 0.00 C ATOM 1271 O ASP A 78 13.749 3.471 -1.129 1.00 0.00 O ATOM 1272 CB ASP A 78 12.365 4.747 -3.555 1.00 0.00 C ATOM 1273 CG ASP A 78 13.179 5.702 -2.692 1.00 0.00 C ATOM 1274 OD1 ASP A 78 12.595 6.250 -1.732 1.00 0.00 O ATOM 1275 OD2 ASP A 78 14.382 5.850 -3.001 1.00 0.00 O ATOM 0 H ASP A 78 11.014 4.038 -1.497 1.00 0.00 H new ATOM 0 HA ASP A 78 12.191 2.662 -3.861 1.00 0.00 H new ATOM 0 HB2 ASP A 78 12.812 4.703 -4.548 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.360 5.152 -3.676 1.00 0.00 H new ATOM 1280 N TYR A 79 14.181 1.843 -2.602 1.00 0.00 N ATOM 1281 CA TYR A 79 15.256 1.271 -1.801 1.00 0.00 C ATOM 1282 C TYR A 79 16.423 2.252 -1.683 1.00 0.00 C ATOM 1283 O TYR A 79 17.098 2.299 -0.659 1.00 0.00 O ATOM 1284 CB TYR A 79 15.703 -0.066 -2.406 1.00 0.00 C ATOM 1285 CG TYR A 79 16.720 -0.824 -1.568 1.00 0.00 C ATOM 1286 CD1 TYR A 79 16.401 -1.216 -0.254 1.00 0.00 C ATOM 1287 CD2 TYR A 79 17.983 -1.144 -2.102 1.00 0.00 C ATOM 1288 CE1 TYR A 79 17.331 -1.935 0.515 1.00 0.00 C ATOM 1289 CE2 TYR A 79 18.915 -1.859 -1.328 1.00 0.00 C ATOM 1290 CZ TYR A 79 18.586 -2.258 -0.022 1.00 0.00 C ATOM 1291 OH TYR A 79 19.479 -2.964 0.729 1.00 0.00 O ATOM 0 H TYR A 79 14.028 1.378 -3.497 1.00 0.00 H new ATOM 0 HA TYR A 79 14.887 1.082 -0.793 1.00 0.00 H new ATOM 0 HB2 TYR A 79 14.826 -0.697 -2.550 1.00 0.00 H new ATOM 0 HB3 TYR A 79 16.128 0.119 -3.392 1.00 0.00 H new ATOM 0 HD1 TYR A 79 15.438 -0.963 0.164 1.00 0.00 H new ATOM 0 HD2 TYR A 79 18.236 -0.840 -3.107 1.00 0.00 H new ATOM 0 HE1 TYR A 79 17.080 -2.239 1.520 1.00 0.00 H new ATOM 0 HE2 TYR A 79 19.884 -2.101 -1.738 1.00 0.00 H new ATOM 0 HH TYR A 79 20.300 -3.107 0.213 1.00 0.00 H new ATOM 1301 N LYS A 80 16.650 3.039 -2.738 1.00 0.00 N ATOM 1302 CA LYS A 80 17.796 3.923 -2.862 1.00 0.00 C ATOM 1303 C LYS A 80 17.825 4.954 -1.731 1.00 0.00 C ATOM 1304 O LYS A 80 18.859 5.150 -1.097 1.00 0.00 O ATOM 1305 CB LYS A 80 17.761 4.568 -4.255 1.00 0.00 C ATOM 1306 CG LYS A 80 19.106 5.185 -4.653 1.00 0.00 C ATOM 1307 CD LYS A 80 19.042 5.645 -6.115 1.00 0.00 C ATOM 1308 CE LYS A 80 20.409 6.138 -6.597 1.00 0.00 C ATOM 1309 NZ LYS A 80 20.367 6.510 -8.023 1.00 0.00 N ATOM 0 H LYS A 80 16.025 3.075 -3.543 1.00 0.00 H new ATOM 0 HA LYS A 80 18.722 3.356 -2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 80 17.478 3.817 -4.992 1.00 0.00 H new ATOM 0 HB3 LYS A 80 16.991 5.340 -4.275 1.00 0.00 H new ATOM 0 HG2 LYS A 80 19.337 6.030 -4.004 1.00 0.00 H new ATOM 0 HG3 LYS A 80 19.906 4.456 -4.524 1.00 0.00 H new ATOM 0 HD2 LYS A 80 18.706 4.821 -6.745 1.00 0.00 H new ATOM 0 HD3 LYS A 80 18.307 6.444 -6.217 1.00 0.00 H new ATOM 0 HE2 LYS A 80 20.719 6.998 -6.003 1.00 0.00 H new ATOM 0 HE3 LYS A 80 21.155 5.358 -6.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 21.306 6.840 -8.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 20.094 5.682 -8.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 19.671 7.270 -8.163 1.00 0.00 H new ATOM 1323 N THR A 81 16.685 5.601 -1.482 1.00 0.00 N ATOM 1324 CA THR A 81 16.529 6.548 -0.378 1.00 0.00 C ATOM 1325 C THR A 81 16.037 5.821 0.879 1.00 0.00 C ATOM 1326 O THR A 81 16.203 6.321 1.988 1.00 0.00 O ATOM 1327 CB THR A 81 15.569 7.684 -0.773 1.00 0.00 C ATOM 1328 OG1 THR A 81 15.756 8.041 -2.128 1.00 0.00 O ATOM 1329 CG2 THR A 81 15.777 8.937 0.082 1.00 0.00 C ATOM 0 H THR A 81 15.841 5.482 -2.043 1.00 0.00 H new ATOM 0 HA THR A 81 17.500 6.992 -0.156 1.00 0.00 H new ATOM 0 HB THR A 81 14.559 7.307 -0.611 1.00 0.00 H new ATOM 0 HG1 THR A 81 15.331 7.372 -2.704 1.00 0.00 H new ATOM 0 HG21 THR A 81 15.078 9.712 -0.232 1.00 0.00 H new ATOM 0 HG22 THR A 81 15.603 8.695 1.130 1.00 0.00 H new ATOM 0 HG23 THR A 81 16.798 9.297 -0.043 1.00 0.00 H new ATOM 1337 N ARG A 82 15.396 4.660 0.705 1.00 0.00 N ATOM 1338 CA ARG A 82 14.742 3.905 1.765 1.00 0.00 C ATOM 1339 C ARG A 82 13.557 4.698 2.327 1.00 0.00 C ATOM 1340 O ARG A 82 13.248 4.614 3.514 1.00 0.00 O ATOM 1341 CB ARG A 82 15.759 3.495 2.841 1.00 0.00 C ATOM 1342 CG ARG A 82 15.392 2.136 3.440 1.00 0.00 C ATOM 1343 CD ARG A 82 16.162 1.918 4.744 1.00 0.00 C ATOM 1344 NE ARG A 82 16.076 0.520 5.187 1.00 0.00 N ATOM 1345 CZ ARG A 82 16.465 0.074 6.390 1.00 0.00 C ATOM 1346 NH1 ARG A 82 16.887 0.931 7.327 1.00 0.00 N ATOM 1347 NH2 ARG A 82 16.436 -1.237 6.646 1.00 0.00 N ATOM 0 H ARG A 82 15.319 4.211 -0.208 1.00 0.00 H new ATOM 0 HA ARG A 82 14.335 2.980 1.357 1.00 0.00 H new ATOM 0 HB2 ARG A 82 16.758 3.449 2.406 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.788 4.249 3.628 1.00 0.00 H new ATOM 0 HG2 ARG A 82 14.319 2.089 3.628 1.00 0.00 H new ATOM 0 HG3 ARG A 82 15.626 1.341 2.732 1.00 0.00 H new ATOM 0 HD2 ARG A 82 17.207 2.193 4.602 1.00 0.00 H new ATOM 0 HD3 ARG A 82 15.762 2.572 5.519 1.00 0.00 H new ATOM 0 HE ARG A 82 15.692 -0.161 4.532 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.914 1.931 7.128 1.00 0.00 H new ATOM 0 HH12 ARG A 82 17.181 0.584 8.240 1.00 0.00 H new ATOM 0 HH21 ARG A 82 16.120 -1.890 5.929 1.00 0.00 H new ATOM 0 HH22 ARG A 82 16.730 -1.585 7.559 1.00 0.00 H new ATOM 1361 N GLY A 83 12.887 5.464 1.462 1.00 0.00 N ATOM 1362 CA GLY A 83 11.720 6.261 1.804 1.00 0.00 C ATOM 1363 C GLY A 83 10.503 5.652 1.122 1.00 0.00 C ATOM 1364 O GLY A 83 10.656 4.962 0.112 1.00 0.00 O ATOM 0 H GLY A 83 13.153 5.545 0.481 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.578 6.281 2.885 1.00 0.00 H new ATOM 0 HA3 GLY A 83 11.858 7.293 1.481 1.00 0.00 H new ATOM 1368 N ARG A 84 9.305 5.894 1.667 1.00 0.00 N ATOM 1369 CA ARG A 84 8.063 5.453 1.062 1.00 0.00 C ATOM 1370 C ARG A 84 7.209 6.633 0.634 1.00 0.00 C ATOM 1371 O ARG A 84 7.403 7.756 1.094 1.00 0.00 O ATOM 1372 CB ARG A 84 7.261 4.579 2.026 1.00 0.00 C ATOM 1373 CG ARG A 84 8.083 3.415 2.593 1.00 0.00 C ATOM 1374 CD ARG A 84 7.179 2.231 2.961 1.00 0.00 C ATOM 1375 NE ARG A 84 7.958 1.022 3.264 1.00 0.00 N ATOM 1376 CZ ARG A 84 8.618 0.772 4.402 1.00 0.00 C ATOM 1377 NH1 ARG A 84 8.545 1.621 5.433 1.00 0.00 N ATOM 1378 NH2 ARG A 84 9.359 -0.338 4.495 1.00 0.00 N ATOM 0 H ARG A 84 9.180 6.403 2.542 1.00 0.00 H new ATOM 0 HA ARG A 84 8.328 4.867 0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.894 5.194 2.848 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.387 4.183 1.509 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.824 3.097 1.859 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.630 3.747 3.475 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.568 2.495 3.824 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.496 2.026 2.137 1.00 0.00 H new ATOM 0 HE ARG A 84 8.000 0.306 2.539 1.00 0.00 H new ATOM 0 HH11 ARG A 84 7.983 2.469 5.357 1.00 0.00 H new ATOM 0 HH12 ARG A 84 9.052 1.421 6.295 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.416 -0.981 3.705 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.867 -0.541 5.356 1.00 0.00 H new ATOM 1392 N LYS A 85 6.232 6.330 -0.220 1.00 0.00 N ATOM 1393 CA LYS A 85 5.252 7.265 -0.737 1.00 0.00 C ATOM 1394 C LYS A 85 4.046 6.535 -1.332 1.00 0.00 C ATOM 1395 O LYS A 85 4.161 5.396 -1.789 1.00 0.00 O ATOM 1396 CB LYS A 85 5.922 8.242 -1.715 1.00 0.00 C ATOM 1397 CG LYS A 85 6.437 7.630 -3.027 1.00 0.00 C ATOM 1398 CD LYS A 85 5.325 7.531 -4.078 1.00 0.00 C ATOM 1399 CE LYS A 85 5.898 7.410 -5.491 1.00 0.00 C ATOM 1400 NZ LYS A 85 4.816 7.404 -6.488 1.00 0.00 N ATOM 0 H LYS A 85 6.102 5.385 -0.581 1.00 0.00 H new ATOM 0 HA LYS A 85 4.854 7.862 0.084 1.00 0.00 H new ATOM 0 HB2 LYS A 85 5.208 9.028 -1.959 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.759 8.719 -1.206 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.254 8.238 -3.417 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.843 6.638 -2.832 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.697 6.667 -3.864 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.686 8.412 -4.018 1.00 0.00 H new ATOM 0 HE2 LYS A 85 6.576 8.241 -5.687 1.00 0.00 H new ATOM 0 HE3 LYS A 85 6.483 6.494 -5.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.058 6.750 -7.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.931 7.096 -6.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.693 8.362 -6.873 1.00 0.00 H new ATOM 1414 N LEU A 86 2.887 7.198 -1.311 1.00 0.00 N ATOM 1415 CA LEU A 86 1.648 6.718 -1.907 1.00 0.00 C ATOM 1416 C LEU A 86 1.765 6.735 -3.436 1.00 0.00 C ATOM 1417 O LEU A 86 2.098 7.773 -4.006 1.00 0.00 O ATOM 1418 CB LEU A 86 0.512 7.642 -1.435 1.00 0.00 C ATOM 1419 CG LEU A 86 -0.885 7.288 -1.977 1.00 0.00 C ATOM 1420 CD1 LEU A 86 -1.408 5.978 -1.381 1.00 0.00 C ATOM 1421 CD2 LEU A 86 -1.858 8.416 -1.617 1.00 0.00 C ATOM 0 H LEU A 86 2.787 8.110 -0.865 1.00 0.00 H new ATOM 0 HA LEU A 86 1.442 5.692 -1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 86 0.478 7.623 -0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 86 0.750 8.664 -1.728 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.809 7.166 -3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.396 5.762 -1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.726 5.166 -1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.474 6.072 -0.297 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.851 8.175 -1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.901 8.528 -0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.515 9.349 -2.064 1.00 0.00 H new ATOM 1433 N LEU A 87 1.475 5.615 -4.106 1.00 0.00 N ATOM 1434 CA LEU A 87 1.312 5.588 -5.555 1.00 0.00 C ATOM 1435 C LEU A 87 -0.089 6.077 -5.905 1.00 0.00 C ATOM 1436 O LEU A 87 -0.230 6.990 -6.716 1.00 0.00 O ATOM 1437 CB LEU A 87 1.535 4.179 -6.128 1.00 0.00 C ATOM 1438 CG LEU A 87 3.013 3.886 -6.412 1.00 0.00 C ATOM 1439 CD1 LEU A 87 3.218 2.374 -6.508 1.00 0.00 C ATOM 1440 CD2 LEU A 87 3.456 4.511 -7.740 1.00 0.00 C ATOM 0 H LEU A 87 1.348 4.708 -3.657 1.00 0.00 H new ATOM 0 HA LEU A 87 2.062 6.242 -5.999 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.150 3.440 -5.425 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.963 4.071 -7.050 1.00 0.00 H new ATOM 0 HG LEU A 87 3.603 4.312 -5.600 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.268 2.161 -6.710 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.928 1.907 -5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.605 1.974 -7.316 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.508 4.287 -7.915 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.858 4.100 -8.553 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.318 5.591 -7.698 1.00 0.00 H new ATOM 1452 N ARG A 88 -1.124 5.455 -5.328 1.00 0.00 N ATOM 1453 CA ARG A 88 -2.509 5.805 -5.618 1.00 0.00 C ATOM 1454 C ARG A 88 -3.468 5.107 -4.656 1.00 0.00 C ATOM 1455 O ARG A 88 -3.066 4.232 -3.884 1.00 0.00 O ATOM 1456 CB ARG A 88 -2.855 5.496 -7.091 1.00 0.00 C ATOM 1457 CG ARG A 88 -3.231 6.767 -7.876 1.00 0.00 C ATOM 1458 CD ARG A 88 -2.735 6.685 -9.322 1.00 0.00 C ATOM 1459 NE ARG A 88 -1.268 6.737 -9.346 1.00 0.00 N ATOM 1460 CZ ARG A 88 -0.503 6.633 -10.439 1.00 0.00 C ATOM 1461 NH1 ARG A 88 -1.061 6.488 -11.646 1.00 0.00 N ATOM 1462 NH2 ARG A 88 0.826 6.679 -10.309 1.00 0.00 N ATOM 0 H ARG A 88 -1.020 4.699 -4.651 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.626 6.878 -5.469 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.003 5.013 -7.570 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -3.684 4.789 -7.128 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.313 6.898 -7.866 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.799 7.641 -7.389 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.083 5.761 -9.784 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.147 7.508 -9.905 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.791 6.863 -8.453 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.076 6.456 -11.738 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.471 6.409 -12.474 1.00 0.00 H new ATOM 0 HH21 ARG A 88 1.245 6.792 -9.386 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.422 6.601 -11.133 1.00 0.00 H new ATOM 1476 N PHE A 89 -4.728 5.553 -4.709 1.00 0.00 N ATOM 1477 CA PHE A 89 -5.819 5.154 -3.836 1.00 0.00 C ATOM 1478 C PHE A 89 -7.031 4.820 -4.709 1.00 0.00 C ATOM 1479 O PHE A 89 -7.834 5.697 -5.036 1.00 0.00 O ATOM 1480 CB PHE A 89 -6.109 6.307 -2.872 1.00 0.00 C ATOM 1481 CG PHE A 89 -6.983 5.938 -1.693 1.00 0.00 C ATOM 1482 CD1 PHE A 89 -6.400 5.295 -0.587 1.00 0.00 C ATOM 1483 CD2 PHE A 89 -8.292 6.443 -1.596 1.00 0.00 C ATOM 1484 CE1 PHE A 89 -7.108 5.194 0.622 1.00 0.00 C ATOM 1485 CE2 PHE A 89 -9.002 6.335 -0.388 1.00 0.00 C ATOM 1486 CZ PHE A 89 -8.413 5.704 0.720 1.00 0.00 C ATOM 0 H PHE A 89 -5.022 6.240 -5.403 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.568 4.272 -3.246 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.162 6.697 -2.498 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -6.590 7.114 -3.425 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -5.407 4.878 -0.667 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.752 6.915 -2.451 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.648 4.723 1.478 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -10.001 6.738 -0.312 1.00 0.00 H new ATOM 0 HZ PHE A 89 -8.962 5.611 1.645 1.00 0.00 H new ATOM 1496 N ASN A 90 -7.135 3.567 -5.148 1.00 0.00 N ATOM 1497 CA ASN A 90 -8.174 3.135 -6.072 1.00 0.00 C ATOM 1498 C ASN A 90 -9.426 2.798 -5.271 1.00 0.00 C ATOM 1499 O ASN A 90 -9.323 2.275 -4.165 1.00 0.00 O ATOM 1500 CB ASN A 90 -7.745 1.887 -6.851 1.00 0.00 C ATOM 1501 CG ASN A 90 -6.363 1.991 -7.497 1.00 0.00 C ATOM 1502 OD1 ASN A 90 -5.351 2.087 -6.810 1.00 0.00 O ATOM 1503 ND2 ASN A 90 -6.297 1.945 -8.824 1.00 0.00 N ATOM 0 H ASN A 90 -6.496 2.822 -4.870 1.00 0.00 H new ATOM 0 HA ASN A 90 -8.361 3.940 -6.782 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -7.754 1.031 -6.176 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.482 1.687 -7.629 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -5.392 1.990 -9.291 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -7.152 1.865 -9.375 1.00 0.00 H new ATOM 1510 N GLY A 91 -10.608 3.057 -5.830 1.00 0.00 N ATOM 1511 CA GLY A 91 -11.881 2.712 -5.214 1.00 0.00 C ATOM 1512 C GLY A 91 -12.872 3.867 -5.356 1.00 0.00 C ATOM 1513 O GLY A 91 -12.671 4.720 -6.220 1.00 0.00 O ATOM 0 H GLY A 91 -10.705 3.518 -6.735 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -12.288 1.816 -5.682 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -11.731 2.481 -4.159 1.00 0.00 H new ATOM 1517 N PRO A 92 -13.927 3.920 -4.527 1.00 0.00 N ATOM 1518 CA PRO A 92 -14.253 2.936 -3.501 1.00 0.00 C ATOM 1519 C PRO A 92 -14.603 1.596 -4.151 1.00 0.00 C ATOM 1520 O PRO A 92 -14.997 1.561 -5.314 1.00 0.00 O ATOM 1521 CB PRO A 92 -15.458 3.517 -2.755 1.00 0.00 C ATOM 1522 CG PRO A 92 -16.139 4.393 -3.809 1.00 0.00 C ATOM 1523 CD PRO A 92 -14.963 4.933 -4.620 1.00 0.00 C ATOM 0 HA PRO A 92 -13.419 2.748 -2.825 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -16.123 2.733 -2.394 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -15.150 4.099 -1.886 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -16.826 3.817 -4.429 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -16.718 5.196 -3.353 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -15.249 5.107 -5.657 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -14.616 5.886 -4.221 1.00 0.00 H new