USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 638 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 30 CYS SG : rot -16:sc= -0.637 USER MOD Set 1.2: A 80 CYS SG : rot 112:sc= 1.4 USER MOD Single : A 9 ASN : amide:sc= -1.81! K(o=-1.8!,f=-0.9) USER MOD Single : A 10 CYS SG : rot 180:sc= -0.409 USER MOD Single : A 12 THR OG1 : rot -140:sc= -0.985 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.174 K(o=-0.17,f=-2.7!) USER MOD Single : A 19 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.56) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -37:sc= 0.0769! USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0569 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 120:sc= 0.02 USER MOD Single : A 34 HIS : no HD1:sc= -1.59! X(o=-1.6!,f=-1.3) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0031 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 27:sc= 0.265 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= -2.29! K(o=-2.3!,f=-1.3) USER MOD Single : A 55 GLN : amide:sc= -0.0102 X(o=-0.01,f=-0.01) USER MOD Single : A 57 SER OG : rot 67:sc= 1.21 USER MOD Single : A 58 GLN : amide:sc= -1.27 K(o=-1.3,f=-2.6!) USER MOD Single : A 62 THR OG1 : rot 71:sc= 1.26 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.0291 USER MOD Single : A 72 LYS NZ :NH3+ -158:sc= -1.06 (180deg=-2.23!) USER MOD Single : A 75 SER OG : rot 140:sc= -0.498 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 53:sc= 0.979 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0891 USER MOD Single : A 84 GLN : amide:sc= -0.61 K(o=-0.61,f=-4.2!) USER MOD Single : A 86 GLN : amide:sc= -5.06! C(o=-5.1!,f=-4!) USER MOD Single : A 87 SER OG : rot 116:sc= -1.25 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= -0.0384 K(o=-0.038,f=-0.69) USER MOD ----------------------------------------------------------------- ATOM 76 N ASN A 9 8.220 18.890 -0.755 1.00 0.00 N ATOM 77 CA ASN A 9 7.075 18.204 -0.168 1.00 0.00 C ATOM 78 C ASN A 9 7.519 17.264 0.949 1.00 0.00 C ATOM 79 O ASN A 9 8.666 16.816 0.979 1.00 0.00 O ATOM 80 CB ASN A 9 6.320 17.417 -1.241 1.00 0.00 C ATOM 81 CG ASN A 9 5.265 18.254 -1.937 1.00 0.00 C ATOM 82 OD1 ASN A 9 5.547 19.349 -2.424 1.00 0.00 O ATOM 83 ND2 ASN A 9 4.041 17.742 -1.987 1.00 0.00 N ATOM 0 HA ASN A 9 6.410 18.957 0.256 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.029 17.043 -1.980 1.00 0.00 H new ATOM 0 HB3 ASN A 9 5.847 16.547 -0.785 1.00 0.00 H new ATOM 0 HD21 ASN A 9 3.290 18.260 -2.442 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.852 16.831 -1.570 1.00 0.00 H new ATOM 90 N CYS A 10 6.603 16.970 1.866 1.00 0.00 N ATOM 91 CA CYS A 10 6.900 16.084 2.986 1.00 0.00 C ATOM 92 C CYS A 10 5.622 15.464 3.542 1.00 0.00 C ATOM 93 O CYS A 10 4.561 16.089 3.533 1.00 0.00 O ATOM 94 CB CYS A 10 7.631 16.850 4.089 1.00 0.00 C ATOM 95 SG CYS A 10 6.712 18.264 4.741 1.00 0.00 S ATOM 0 H CYS A 10 5.649 17.332 1.856 1.00 0.00 H new ATOM 0 HA CYS A 10 7.543 15.282 2.623 1.00 0.00 H new ATOM 0 HB2 CYS A 10 7.851 16.165 4.908 1.00 0.00 H new ATOM 0 HB3 CYS A 10 8.587 17.200 3.701 1.00 0.00 H new ATOM 0 HG CYS A 10 7.412 18.845 5.670 1.00 0.00 H new ATOM 101 N PHE A 11 5.730 14.230 4.023 1.00 0.00 N ATOM 102 CA PHE A 11 4.583 13.524 4.580 1.00 0.00 C ATOM 103 C PHE A 11 4.360 13.913 6.039 1.00 0.00 C ATOM 104 O PHE A 11 5.179 13.610 6.907 1.00 0.00 O ATOM 105 CB PHE A 11 4.785 12.011 4.470 1.00 0.00 C ATOM 106 CG PHE A 11 4.614 11.484 3.074 1.00 0.00 C ATOM 107 CD1 PHE A 11 5.606 11.665 2.125 1.00 0.00 C ATOM 108 CD2 PHE A 11 3.460 10.807 2.712 1.00 0.00 C ATOM 109 CE1 PHE A 11 5.452 11.180 0.839 1.00 0.00 C ATOM 110 CE2 PHE A 11 3.301 10.320 1.428 1.00 0.00 C ATOM 111 CZ PHE A 11 4.297 10.508 0.491 1.00 0.00 C ATOM 0 H PHE A 11 6.600 13.698 4.038 1.00 0.00 H new ATOM 0 HA PHE A 11 3.701 13.809 4.007 1.00 0.00 H new ATOM 0 HB2 PHE A 11 5.784 11.759 4.825 1.00 0.00 H new ATOM 0 HB3 PHE A 11 4.076 11.509 5.129 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.511 12.191 2.392 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.677 10.658 3.441 1.00 0.00 H new ATOM 0 HE1 PHE A 11 6.234 11.327 0.108 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.398 9.793 1.158 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.173 10.130 -0.513 1.00 0.00 H new ATOM 121 N THR A 12 3.246 14.589 6.301 1.00 0.00 N ATOM 122 CA THR A 12 2.915 15.023 7.653 1.00 0.00 C ATOM 123 C THR A 12 2.498 13.842 8.522 1.00 0.00 C ATOM 124 O THR A 12 2.763 13.821 9.724 1.00 0.00 O ATOM 125 CB THR A 12 1.782 16.066 7.647 1.00 0.00 C ATOM 126 OG1 THR A 12 0.672 15.580 6.885 1.00 0.00 O ATOM 127 CG2 THR A 12 2.265 17.386 7.063 1.00 0.00 C ATOM 0 H THR A 12 2.557 14.848 5.595 1.00 0.00 H new ATOM 0 HA THR A 12 3.815 15.477 8.068 1.00 0.00 H new ATOM 0 HB THR A 12 1.468 16.235 8.677 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.292 16.313 6.357 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.448 18.107 7.069 1.00 0.00 H new ATOM 0 HG22 THR A 12 3.091 17.769 7.663 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.603 17.229 6.039 1.00 0.00 H new ATOM 135 N GLU A 13 1.846 12.861 7.907 1.00 0.00 N ATOM 136 CA GLU A 13 1.393 11.677 8.627 1.00 0.00 C ATOM 137 C GLU A 13 1.735 10.406 7.854 1.00 0.00 C ATOM 138 O GLU A 13 1.024 10.021 6.927 1.00 0.00 O ATOM 139 CB GLU A 13 -0.116 11.747 8.871 1.00 0.00 C ATOM 140 CG GLU A 13 -0.490 12.418 10.182 1.00 0.00 C ATOM 141 CD GLU A 13 -1.933 12.168 10.574 1.00 0.00 C ATOM 142 OE1 GLU A 13 -2.821 12.329 9.711 1.00 0.00 O ATOM 143 OE2 GLU A 13 -2.175 11.809 11.746 1.00 0.00 O ATOM 0 H GLU A 13 1.620 12.863 6.912 1.00 0.00 H new ATOM 0 HA GLU A 13 1.908 11.648 9.587 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.584 12.289 8.049 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.525 10.737 8.860 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.166 12.053 10.973 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.321 13.492 10.098 1.00 0.00 H new ATOM 150 N GLU A 14 2.830 9.761 8.244 1.00 0.00 N ATOM 151 CA GLU A 14 3.268 8.535 7.587 1.00 0.00 C ATOM 152 C GLU A 14 2.169 7.476 7.623 1.00 0.00 C ATOM 153 O GLU A 14 1.224 7.572 8.408 1.00 0.00 O ATOM 154 CB GLU A 14 4.533 7.995 8.257 1.00 0.00 C ATOM 155 CG GLU A 14 5.818 8.556 7.672 1.00 0.00 C ATOM 156 CD GLU A 14 6.149 7.966 6.315 1.00 0.00 C ATOM 157 OE1 GLU A 14 6.716 6.854 6.275 1.00 0.00 O ATOM 158 OE2 GLU A 14 5.840 8.615 5.294 1.00 0.00 O ATOM 0 H GLU A 14 3.429 10.067 9.011 1.00 0.00 H new ATOM 0 HA GLU A 14 3.489 8.770 6.546 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.497 8.226 9.322 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.546 6.909 8.167 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.729 9.639 7.581 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.641 8.361 8.359 1.00 0.00 H new ATOM 165 N LEU A 15 2.300 6.467 6.769 1.00 0.00 N ATOM 166 CA LEU A 15 1.319 5.390 6.701 1.00 0.00 C ATOM 167 C LEU A 15 1.302 4.586 7.998 1.00 0.00 C ATOM 168 O LEU A 15 2.080 4.850 8.915 1.00 0.00 O ATOM 169 CB LEU A 15 1.626 4.467 5.520 1.00 0.00 C ATOM 170 CG LEU A 15 1.332 5.035 4.131 1.00 0.00 C ATOM 171 CD1 LEU A 15 2.221 4.378 3.087 1.00 0.00 C ATOM 172 CD2 LEU A 15 -0.137 4.848 3.778 1.00 0.00 C ATOM 0 H LEU A 15 3.076 6.372 6.114 1.00 0.00 H new ATOM 0 HA LEU A 15 0.335 5.837 6.559 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.680 4.193 5.563 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.053 3.548 5.644 1.00 0.00 H new ATOM 0 HG LEU A 15 1.549 6.103 4.143 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.998 4.795 2.105 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.267 4.564 3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.036 3.304 3.076 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.328 5.258 2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.380 3.786 3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.756 5.366 4.510 1.00 0.00 H new ATOM 184 N THR A 16 0.411 3.603 8.067 1.00 0.00 N ATOM 185 CA THR A 16 0.293 2.760 9.250 1.00 0.00 C ATOM 186 C THR A 16 0.063 1.302 8.866 1.00 0.00 C ATOM 187 O THR A 16 -0.723 1.004 7.968 1.00 0.00 O ATOM 188 CB THR A 16 -0.858 3.227 10.161 1.00 0.00 C ATOM 189 OG1 THR A 16 -0.972 2.356 11.292 1.00 0.00 O ATOM 190 CG2 THR A 16 -2.175 3.252 9.399 1.00 0.00 C ATOM 0 H THR A 16 -0.240 3.371 7.317 1.00 0.00 H new ATOM 0 HA THR A 16 1.234 2.846 9.794 1.00 0.00 H new ATOM 0 HB THR A 16 -0.635 4.238 10.502 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.705 2.661 11.867 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.973 3.585 10.063 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.095 3.938 8.556 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.402 2.251 9.032 1.00 0.00 H new ATOM 198 N ASN A 17 0.753 0.398 9.553 1.00 0.00 N ATOM 199 CA ASN A 17 0.623 -1.029 9.283 1.00 0.00 C ATOM 200 C ASN A 17 -0.842 -1.454 9.294 1.00 0.00 C ATOM 201 O ASN A 17 -1.552 -1.253 10.280 1.00 0.00 O ATOM 202 CB ASN A 17 1.407 -1.839 10.319 1.00 0.00 C ATOM 203 CG ASN A 17 2.813 -1.309 10.523 1.00 0.00 C ATOM 204 OD1 ASN A 17 3.663 -1.413 9.638 1.00 0.00 O ATOM 205 ND2 ASN A 17 3.065 -0.735 11.694 1.00 0.00 N ATOM 0 H ASN A 17 1.408 0.628 10.301 1.00 0.00 H new ATOM 0 HA ASN A 17 1.033 -1.224 8.292 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.874 -1.822 11.269 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.457 -2.880 10.000 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.993 -0.359 11.888 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.331 -0.670 12.399 1.00 0.00 H new ATOM 212 N LEU A 18 -1.290 -2.042 8.190 1.00 0.00 N ATOM 213 CA LEU A 18 -2.671 -2.496 8.071 1.00 0.00 C ATOM 214 C LEU A 18 -2.781 -3.989 8.361 1.00 0.00 C ATOM 215 O LEU A 18 -1.930 -4.775 7.945 1.00 0.00 O ATOM 216 CB LEU A 18 -3.208 -2.196 6.670 1.00 0.00 C ATOM 217 CG LEU A 18 -3.290 -0.719 6.284 1.00 0.00 C ATOM 218 CD1 LEU A 18 -3.805 -0.567 4.861 1.00 0.00 C ATOM 219 CD2 LEU A 18 -4.180 0.038 7.259 1.00 0.00 C ATOM 0 H LEU A 18 -0.717 -2.216 7.364 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.269 -1.957 8.806 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.575 -2.706 5.943 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.205 -2.629 6.584 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.287 -0.294 6.333 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.857 0.491 4.604 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.129 -1.075 4.173 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.799 -1.008 4.785 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.227 1.088 6.969 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.183 -0.388 7.242 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.768 -0.042 8.265 1.00 0.00 H new ATOM 231 N GLN A 19 -3.834 -4.372 9.076 1.00 0.00 N ATOM 232 CA GLN A 19 -4.054 -5.771 9.420 1.00 0.00 C ATOM 233 C GLN A 19 -5.492 -6.186 9.121 1.00 0.00 C ATOM 234 O GLN A 19 -6.425 -5.766 9.805 1.00 0.00 O ATOM 235 CB GLN A 19 -3.739 -6.011 10.898 1.00 0.00 C ATOM 236 CG GLN A 19 -2.289 -6.386 11.158 1.00 0.00 C ATOM 237 CD GLN A 19 -1.815 -5.962 12.533 1.00 0.00 C ATOM 238 OE1 GLN A 19 -1.446 -6.797 13.360 1.00 0.00 O ATOM 239 NE2 GLN A 19 -1.820 -4.659 12.787 1.00 0.00 N ATOM 0 H GLN A 19 -4.547 -3.733 9.428 1.00 0.00 H new ATOM 0 HA GLN A 19 -3.385 -6.378 8.810 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.980 -5.110 11.463 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.384 -6.805 11.274 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -2.172 -7.465 11.054 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.656 -5.923 10.401 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.134 -4.001 12.073 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -1.510 -4.315 13.696 1.00 0.00 H new ATOM 248 N VAL A 20 -5.662 -7.012 8.093 1.00 0.00 N ATOM 249 CA VAL A 20 -6.986 -7.483 7.704 1.00 0.00 C ATOM 250 C VAL A 20 -6.914 -8.879 7.095 1.00 0.00 C ATOM 251 O VAL A 20 -5.946 -9.223 6.419 1.00 0.00 O ATOM 252 CB VAL A 20 -7.647 -6.527 6.693 1.00 0.00 C ATOM 253 CG1 VAL A 20 -9.153 -6.743 6.660 1.00 0.00 C ATOM 254 CG2 VAL A 20 -7.314 -5.082 7.030 1.00 0.00 C ATOM 0 H VAL A 20 -4.900 -7.368 7.515 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.591 -7.515 8.610 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.251 -6.744 5.701 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.603 -6.059 5.940 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.367 -7.771 6.367 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.569 -6.554 7.649 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.789 -4.421 6.305 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.680 -4.848 8.030 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.234 -4.940 6.997 1.00 0.00 H new ATOM 264 N GLU A 21 -7.947 -9.679 7.340 1.00 0.00 N ATOM 265 CA GLU A 21 -8.001 -11.039 6.816 1.00 0.00 C ATOM 266 C GLU A 21 -8.086 -11.031 5.292 1.00 0.00 C ATOM 267 O GLU A 21 -8.624 -10.100 4.695 1.00 0.00 O ATOM 268 CB GLU A 21 -9.200 -11.788 7.401 1.00 0.00 C ATOM 269 CG GLU A 21 -9.258 -11.754 8.919 1.00 0.00 C ATOM 270 CD GLU A 21 -10.649 -12.029 9.456 1.00 0.00 C ATOM 271 OE1 GLU A 21 -11.593 -11.321 9.047 1.00 0.00 O ATOM 272 OE2 GLU A 21 -10.794 -12.952 10.285 1.00 0.00 O ATOM 0 H GLU A 21 -8.757 -9.409 7.898 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.085 -11.551 7.109 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.118 -11.356 7.001 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.166 -12.826 7.070 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.565 -12.492 9.322 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.924 -10.778 9.270 1.00 0.00 H new ATOM 279 N GLU A 22 -7.549 -12.077 4.671 1.00 0.00 N ATOM 280 CA GLU A 22 -7.563 -12.190 3.217 1.00 0.00 C ATOM 281 C GLU A 22 -8.980 -12.034 2.672 1.00 0.00 C ATOM 282 O GLU A 22 -9.959 -12.234 3.391 1.00 0.00 O ATOM 283 CB GLU A 22 -6.983 -13.537 2.782 1.00 0.00 C ATOM 284 CG GLU A 22 -7.883 -14.719 3.103 1.00 0.00 C ATOM 285 CD GLU A 22 -7.278 -16.044 2.681 1.00 0.00 C ATOM 286 OE1 GLU A 22 -7.002 -16.214 1.475 1.00 0.00 O ATOM 287 OE2 GLU A 22 -7.082 -16.912 3.558 1.00 0.00 O ATOM 0 H GLU A 22 -7.100 -12.857 5.151 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.946 -11.389 2.811 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.797 -13.513 1.708 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.019 -13.682 3.269 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.082 -14.739 4.175 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.843 -14.586 2.603 1.00 0.00 H new ATOM 294 N LYS A 23 -9.081 -11.675 1.397 1.00 0.00 N ATOM 295 CA LYS A 23 -10.377 -11.492 0.754 1.00 0.00 C ATOM 296 C LYS A 23 -11.143 -10.338 1.392 1.00 0.00 C ATOM 297 O LYS A 23 -12.373 -10.344 1.432 1.00 0.00 O ATOM 298 CB LYS A 23 -11.201 -12.778 0.846 1.00 0.00 C ATOM 299 CG LYS A 23 -10.494 -13.996 0.276 1.00 0.00 C ATOM 300 CD LYS A 23 -10.810 -14.185 -1.198 1.00 0.00 C ATOM 301 CE LYS A 23 -9.791 -13.482 -2.082 1.00 0.00 C ATOM 302 NZ LYS A 23 -8.605 -14.340 -2.352 1.00 0.00 N ATOM 0 H LYS A 23 -8.281 -11.505 0.788 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.203 -11.253 -0.295 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.448 -12.967 1.891 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.143 -12.635 0.317 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.417 -13.887 0.407 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.795 -14.885 0.830 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.825 -15.249 -1.434 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -11.806 -13.797 -1.410 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.260 -13.203 -3.026 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.469 -12.558 -1.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.934 -13.825 -2.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.142 -14.585 -1.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.909 -15.210 -2.834 1.00 0.00 H new ATOM 316 N GLY A 24 -10.408 -9.347 1.888 1.00 0.00 N ATOM 317 CA GLY A 24 -11.036 -8.200 2.517 1.00 0.00 C ATOM 318 C GLY A 24 -10.758 -6.908 1.774 1.00 0.00 C ATOM 319 O GLY A 24 -11.014 -6.805 0.573 1.00 0.00 O ATOM 0 H GLY A 24 -9.389 -9.318 1.865 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.113 -8.362 2.568 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.678 -8.110 3.543 1.00 0.00 H new ATOM 323 N THR A 25 -10.235 -5.917 2.488 1.00 0.00 N ATOM 324 CA THR A 25 -9.925 -4.624 1.891 1.00 0.00 C ATOM 325 C THR A 25 -8.938 -3.843 2.751 1.00 0.00 C ATOM 326 O THR A 25 -9.144 -3.677 3.952 1.00 0.00 O ATOM 327 CB THR A 25 -11.197 -3.778 1.691 1.00 0.00 C ATOM 328 OG1 THR A 25 -12.290 -4.620 1.310 1.00 0.00 O ATOM 329 CG2 THR A 25 -10.976 -2.712 0.629 1.00 0.00 C ATOM 0 H THR A 25 -10.017 -5.985 3.482 1.00 0.00 H new ATOM 0 HA THR A 25 -9.475 -4.825 0.919 1.00 0.00 H new ATOM 0 HB THR A 25 -11.431 -3.285 2.634 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.966 -5.325 0.712 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.888 -2.127 0.505 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.162 -2.055 0.937 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.719 -3.189 -0.317 1.00 0.00 H new ATOM 337 N ALA A 26 -7.866 -3.365 2.127 1.00 0.00 N ATOM 338 CA ALA A 26 -6.849 -2.599 2.836 1.00 0.00 C ATOM 339 C ALA A 26 -6.572 -1.273 2.135 1.00 0.00 C ATOM 340 O ALA A 26 -6.087 -1.247 1.004 1.00 0.00 O ATOM 341 CB ALA A 26 -5.567 -3.410 2.959 1.00 0.00 C ATOM 0 H ALA A 26 -7.680 -3.495 1.133 1.00 0.00 H new ATOM 0 HA ALA A 26 -7.226 -2.381 3.835 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.816 -2.825 3.491 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.769 -4.328 3.510 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.196 -3.658 1.964 1.00 0.00 H new ATOM 347 N VAL A 27 -6.886 -0.174 2.813 1.00 0.00 N ATOM 348 CA VAL A 27 -6.671 1.156 2.255 1.00 0.00 C ATOM 349 C VAL A 27 -5.556 1.888 2.993 1.00 0.00 C ATOM 350 O VAL A 27 -5.723 2.299 4.142 1.00 0.00 O ATOM 351 CB VAL A 27 -7.955 2.004 2.315 1.00 0.00 C ATOM 352 CG1 VAL A 27 -8.698 1.758 3.619 1.00 0.00 C ATOM 353 CG2 VAL A 27 -7.626 3.480 2.150 1.00 0.00 C ATOM 0 H VAL A 27 -7.290 -0.178 3.750 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.384 1.019 1.213 1.00 0.00 H new ATOM 0 HB VAL A 27 -8.605 1.705 1.493 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.602 2.366 3.643 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.967 0.704 3.691 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.058 2.027 4.459 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.545 4.065 2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.956 3.795 2.950 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.141 3.639 1.187 1.00 0.00 H new ATOM 363 N PHE A 28 -4.418 2.049 2.326 1.00 0.00 N ATOM 364 CA PHE A 28 -3.274 2.732 2.919 1.00 0.00 C ATOM 365 C PHE A 28 -3.521 4.236 2.999 1.00 0.00 C ATOM 366 O PHE A 28 -3.314 4.964 2.028 1.00 0.00 O ATOM 367 CB PHE A 28 -2.009 2.454 2.105 1.00 0.00 C ATOM 368 CG PHE A 28 -1.394 1.114 2.391 1.00 0.00 C ATOM 369 CD1 PHE A 28 -0.867 0.832 3.642 1.00 0.00 C ATOM 370 CD2 PHE A 28 -1.342 0.136 1.411 1.00 0.00 C ATOM 371 CE1 PHE A 28 -0.301 -0.400 3.909 1.00 0.00 C ATOM 372 CE2 PHE A 28 -0.778 -1.098 1.672 1.00 0.00 C ATOM 373 CZ PHE A 28 -0.256 -1.366 2.923 1.00 0.00 C ATOM 0 H PHE A 28 -4.263 1.716 1.374 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.138 2.349 3.930 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.249 2.516 1.044 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.275 3.233 2.312 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.899 1.584 4.417 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.747 0.341 0.431 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.106 -0.607 4.888 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.745 -1.852 0.899 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.186 -2.329 3.129 1.00 0.00 H new ATOM 383 N THR A 29 -3.965 4.695 4.165 1.00 0.00 N ATOM 384 CA THR A 29 -4.241 6.111 4.374 1.00 0.00 C ATOM 385 C THR A 29 -2.978 6.865 4.773 1.00 0.00 C ATOM 386 O THR A 29 -2.232 6.426 5.649 1.00 0.00 O ATOM 387 CB THR A 29 -5.314 6.320 5.459 1.00 0.00 C ATOM 388 OG1 THR A 29 -5.256 5.256 6.416 1.00 0.00 O ATOM 389 CG2 THR A 29 -6.703 6.378 4.842 1.00 0.00 C ATOM 0 H THR A 29 -4.141 4.106 4.979 1.00 0.00 H new ATOM 0 HA THR A 29 -4.611 6.503 3.427 1.00 0.00 H new ATOM 0 HB THR A 29 -5.115 7.269 5.958 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.940 5.397 7.104 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.444 6.526 5.627 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.753 7.206 4.135 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.909 5.443 4.321 1.00 0.00 H new ATOM 397 N CYS A 30 -2.743 8.001 4.125 1.00 0.00 N ATOM 398 CA CYS A 30 -1.569 8.816 4.413 1.00 0.00 C ATOM 399 C CYS A 30 -1.886 10.300 4.257 1.00 0.00 C ATOM 400 O CYS A 30 -2.964 10.671 3.791 1.00 0.00 O ATOM 401 CB CYS A 30 -0.414 8.429 3.487 1.00 0.00 C ATOM 402 SG CYS A 30 -0.873 8.320 1.741 1.00 0.00 S ATOM 0 H CYS A 30 -3.350 8.378 3.397 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.274 8.632 5.446 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.386 9.161 3.596 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -0.012 7.467 3.807 1.00 0.00 H new ATOM 0 HG CYS A 30 -2.168 8.268 1.635 1.00 0.00 H new ATOM 408 N LYS A 31 -0.941 11.146 4.652 1.00 0.00 N ATOM 409 CA LYS A 31 -1.118 12.591 4.558 1.00 0.00 C ATOM 410 C LYS A 31 0.139 13.258 4.010 1.00 0.00 C ATOM 411 O LYS A 31 1.230 12.689 4.061 1.00 0.00 O ATOM 412 CB LYS A 31 -1.462 13.174 5.930 1.00 0.00 C ATOM 413 CG LYS A 31 -2.354 14.401 5.863 1.00 0.00 C ATOM 414 CD LYS A 31 -2.449 15.096 7.211 1.00 0.00 C ATOM 415 CE LYS A 31 -3.577 16.116 7.235 1.00 0.00 C ATOM 416 NZ LYS A 31 -4.089 16.344 8.615 1.00 0.00 N ATOM 0 H LYS A 31 -0.044 10.856 5.041 1.00 0.00 H new ATOM 0 HA LYS A 31 -1.941 12.787 3.871 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.956 12.408 6.527 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.538 13.434 6.447 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.962 15.097 5.121 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.351 14.110 5.532 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.611 14.354 7.993 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.504 15.592 7.433 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.223 17.059 6.819 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.392 15.772 6.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.857 17.045 8.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.450 15.449 9.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.318 16.697 9.217 1.00 0.00 H new ATOM 430 N THR A 32 -0.019 14.470 3.487 1.00 0.00 N ATOM 431 CA THR A 32 1.103 15.216 2.931 1.00 0.00 C ATOM 432 C THR A 32 0.971 16.706 3.223 1.00 0.00 C ATOM 433 O THR A 32 -0.136 17.226 3.358 1.00 0.00 O ATOM 434 CB THR A 32 1.214 15.010 1.409 1.00 0.00 C ATOM 435 OG1 THR A 32 -0.068 15.186 0.795 1.00 0.00 O ATOM 436 CG2 THR A 32 1.749 13.623 1.088 1.00 0.00 C ATOM 0 H THR A 32 -0.914 14.956 3.437 1.00 0.00 H new ATOM 0 HA THR A 32 2.005 14.834 3.409 1.00 0.00 H new ATOM 0 HB THR A 32 1.910 15.751 1.015 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.023 15.921 0.148 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.819 13.501 0.007 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.738 13.503 1.531 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.075 12.870 1.495 1.00 0.00 H new ATOM 444 N GLU A 33 2.108 17.388 3.318 1.00 0.00 N ATOM 445 CA GLU A 33 2.119 18.820 3.594 1.00 0.00 C ATOM 446 C GLU A 33 1.536 19.604 2.422 1.00 0.00 C ATOM 447 O GLU A 33 0.813 20.583 2.614 1.00 0.00 O ATOM 448 CB GLU A 33 3.544 19.296 3.882 1.00 0.00 C ATOM 449 CG GLU A 33 3.628 20.760 4.281 1.00 0.00 C ATOM 450 CD GLU A 33 2.884 21.057 5.569 1.00 0.00 C ATOM 451 OE1 GLU A 33 2.898 20.198 6.474 1.00 0.00 O ATOM 452 OE2 GLU A 33 2.289 22.150 5.670 1.00 0.00 O ATOM 0 H GLU A 33 3.033 16.972 3.208 1.00 0.00 H new ATOM 0 HA GLU A 33 1.500 18.999 4.473 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.968 18.686 4.680 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.158 19.134 2.996 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.675 21.042 4.397 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.219 21.375 3.479 1.00 0.00 H new ATOM 459 N HIS A 34 1.855 19.168 1.208 1.00 0.00 N ATOM 460 CA HIS A 34 1.363 19.828 0.004 1.00 0.00 C ATOM 461 C HIS A 34 0.633 18.838 -0.899 1.00 0.00 C ATOM 462 O HIS A 34 0.995 17.666 -0.996 1.00 0.00 O ATOM 463 CB HIS A 34 2.521 20.473 -0.758 1.00 0.00 C ATOM 464 CG HIS A 34 3.399 21.332 0.100 1.00 0.00 C ATOM 465 ND1 HIS A 34 2.903 22.223 1.029 1.00 0.00 N ATOM 466 CD2 HIS A 34 4.747 21.431 0.168 1.00 0.00 C ATOM 467 CE1 HIS A 34 3.909 22.834 1.629 1.00 0.00 C ATOM 468 NE2 HIS A 34 5.039 22.371 1.125 1.00 0.00 N ATOM 0 H HIS A 34 2.452 18.360 1.032 1.00 0.00 H new ATOM 0 HA HIS A 34 0.659 20.604 0.306 1.00 0.00 H new ATOM 0 HB2 HIS A 34 3.127 19.689 -1.213 1.00 0.00 H new ATOM 0 HB3 HIS A 34 2.118 21.077 -1.571 1.00 0.00 H new ATOM 0 HD2 HIS A 34 5.460 20.874 -0.421 1.00 0.00 H new ATOM 0 HE1 HIS A 34 3.822 23.585 2.401 1.00 0.00 H new ATOM 0 HE2 HIS A 34 5.976 22.664 1.402 1.00 0.00 H new ATOM 477 N PRO A 35 -0.420 19.320 -1.575 1.00 0.00 N ATOM 478 CA PRO A 35 -1.223 18.494 -2.482 1.00 0.00 C ATOM 479 C PRO A 35 -0.461 18.112 -3.746 1.00 0.00 C ATOM 480 O PRO A 35 -0.364 18.900 -4.686 1.00 0.00 O ATOM 481 CB PRO A 35 -2.411 19.396 -2.825 1.00 0.00 C ATOM 482 CG PRO A 35 -1.901 20.783 -2.635 1.00 0.00 C ATOM 483 CD PRO A 35 -0.908 20.708 -1.508 1.00 0.00 C ATOM 0 HA PRO A 35 -1.508 17.546 -2.025 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.748 19.235 -3.849 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.262 19.194 -2.174 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -1.431 21.154 -3.546 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.714 21.468 -2.394 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.098 21.425 -1.638 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.374 20.924 -0.547 1.00 0.00 H new ATOM 491 N ALA A 36 0.078 16.897 -3.763 1.00 0.00 N ATOM 492 CA ALA A 36 0.829 16.410 -4.913 1.00 0.00 C ATOM 493 C ALA A 36 -0.036 16.400 -6.169 1.00 0.00 C ATOM 494 O ALA A 36 -1.258 16.285 -6.091 1.00 0.00 O ATOM 495 CB ALA A 36 1.376 15.018 -4.635 1.00 0.00 C ATOM 0 H ALA A 36 0.008 16.232 -2.993 1.00 0.00 H new ATOM 0 HA ALA A 36 1.664 17.089 -5.084 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.935 14.667 -5.502 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.036 15.053 -3.768 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.550 14.336 -4.435 1.00 0.00 H new ATOM 501 N ALA A 37 0.608 16.522 -7.325 1.00 0.00 N ATOM 502 CA ALA A 37 -0.103 16.525 -8.598 1.00 0.00 C ATOM 503 C ALA A 37 -0.333 15.104 -9.102 1.00 0.00 C ATOM 504 O ALA A 37 -1.155 14.874 -9.989 1.00 0.00 O ATOM 505 CB ALA A 37 0.667 17.335 -9.630 1.00 0.00 C ATOM 0 H ALA A 37 1.620 16.620 -7.406 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.077 16.989 -8.441 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.125 17.329 -10.576 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.775 18.362 -9.280 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.654 16.896 -9.775 1.00 0.00 H new ATOM 511 N THR A 38 0.399 14.153 -8.531 1.00 0.00 N ATOM 512 CA THR A 38 0.277 12.754 -8.924 1.00 0.00 C ATOM 513 C THR A 38 0.848 11.831 -7.854 1.00 0.00 C ATOM 514 O THR A 38 1.720 12.225 -7.080 1.00 0.00 O ATOM 515 CB THR A 38 0.994 12.481 -10.259 1.00 0.00 C ATOM 516 OG1 THR A 38 0.758 11.131 -10.675 1.00 0.00 O ATOM 517 CG2 THR A 38 2.491 12.721 -10.128 1.00 0.00 C ATOM 0 H THR A 38 1.083 14.326 -7.794 1.00 0.00 H new ATOM 0 HA THR A 38 -0.787 12.551 -9.044 1.00 0.00 H new ATOM 0 HB THR A 38 0.595 13.167 -11.007 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.216 10.966 -11.526 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.976 12.522 -11.083 1.00 0.00 H new ATOM 0 HG22 THR A 38 2.670 13.757 -9.839 1.00 0.00 H new ATOM 0 HG23 THR A 38 2.901 12.057 -9.367 1.00 0.00 H new ATOM 525 N VAL A 39 0.351 10.598 -7.816 1.00 0.00 N ATOM 526 CA VAL A 39 0.814 9.617 -6.842 1.00 0.00 C ATOM 527 C VAL A 39 1.002 8.249 -7.487 1.00 0.00 C ATOM 528 O VAL A 39 0.071 7.690 -8.069 1.00 0.00 O ATOM 529 CB VAL A 39 -0.171 9.487 -5.665 1.00 0.00 C ATOM 530 CG1 VAL A 39 0.369 8.522 -4.621 1.00 0.00 C ATOM 531 CG2 VAL A 39 -0.449 10.850 -5.050 1.00 0.00 C ATOM 0 H VAL A 39 -0.372 10.255 -8.449 1.00 0.00 H new ATOM 0 HA VAL A 39 1.773 9.973 -6.466 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.111 9.086 -6.043 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.340 8.443 -3.797 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.512 7.540 -5.072 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.323 8.890 -4.244 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.147 10.739 -4.220 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.483 11.282 -4.685 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.883 11.507 -5.803 1.00 0.00 H new ATOM 541 N THR A 40 2.214 7.712 -7.380 1.00 0.00 N ATOM 542 CA THR A 40 2.525 6.408 -7.953 1.00 0.00 C ATOM 543 C THR A 40 2.877 5.400 -6.866 1.00 0.00 C ATOM 544 O THR A 40 4.029 5.309 -6.440 1.00 0.00 O ATOM 545 CB THR A 40 3.694 6.499 -8.952 1.00 0.00 C ATOM 546 OG1 THR A 40 3.369 7.412 -10.006 1.00 0.00 O ATOM 547 CG2 THR A 40 4.011 5.132 -9.539 1.00 0.00 C ATOM 0 H THR A 40 2.996 8.160 -6.902 1.00 0.00 H new ATOM 0 HA THR A 40 1.632 6.072 -8.480 1.00 0.00 H new ATOM 0 HB THR A 40 4.572 6.861 -8.417 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.118 7.465 -10.635 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.840 5.221 -10.242 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.287 4.447 -8.737 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.134 4.747 -10.059 1.00 0.00 H new ATOM 555 N TRP A 41 1.880 4.643 -6.422 1.00 0.00 N ATOM 556 CA TRP A 41 2.086 3.639 -5.384 1.00 0.00 C ATOM 557 C TRP A 41 2.937 2.486 -5.904 1.00 0.00 C ATOM 558 O TRP A 41 3.059 2.287 -7.112 1.00 0.00 O ATOM 559 CB TRP A 41 0.741 3.111 -4.882 1.00 0.00 C ATOM 560 CG TRP A 41 -0.137 4.179 -4.304 1.00 0.00 C ATOM 561 CD1 TRP A 41 -0.850 5.117 -4.994 1.00 0.00 C ATOM 562 CD2 TRP A 41 -0.394 4.418 -2.916 1.00 0.00 C ATOM 563 NE1 TRP A 41 -1.534 5.926 -4.118 1.00 0.00 N ATOM 564 CE2 TRP A 41 -1.272 5.517 -2.838 1.00 0.00 C ATOM 565 CE3 TRP A 41 0.030 3.810 -1.731 1.00 0.00 C ATOM 566 CZ2 TRP A 41 -1.731 6.018 -1.622 1.00 0.00 C ATOM 567 CZ3 TRP A 41 -0.426 4.309 -0.526 1.00 0.00 C ATOM 568 CH2 TRP A 41 -1.299 5.403 -0.479 1.00 0.00 C ATOM 0 H TRP A 41 0.921 4.705 -6.764 1.00 0.00 H new ATOM 0 HA TRP A 41 2.614 4.111 -4.556 1.00 0.00 H new ATOM 0 HB2 TRP A 41 0.218 2.627 -5.707 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.918 2.347 -4.125 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -0.873 5.210 -6.070 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -2.139 6.705 -4.379 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.702 2.965 -1.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.404 6.862 -1.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -0.104 3.847 0.396 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -1.638 5.769 0.479 1.00 0.00 H new ATOM 579 N ARG A 42 3.524 1.728 -4.983 1.00 0.00 N ATOM 580 CA ARG A 42 4.365 0.594 -5.349 1.00 0.00 C ATOM 581 C ARG A 42 4.136 -0.580 -4.403 1.00 0.00 C ATOM 582 O ARG A 42 4.094 -0.411 -3.184 1.00 0.00 O ATOM 583 CB ARG A 42 5.840 0.999 -5.330 1.00 0.00 C ATOM 584 CG ARG A 42 6.788 -0.135 -5.684 1.00 0.00 C ATOM 585 CD ARG A 42 8.179 0.103 -5.119 1.00 0.00 C ATOM 586 NE ARG A 42 8.602 1.493 -5.274 1.00 0.00 N ATOM 587 CZ ARG A 42 9.641 2.020 -4.637 1.00 0.00 C ATOM 588 NH1 ARG A 42 10.360 1.277 -3.806 1.00 0.00 N ATOM 589 NH2 ARG A 42 9.964 3.292 -4.830 1.00 0.00 N ATOM 0 H ARG A 42 3.433 1.879 -3.978 1.00 0.00 H new ATOM 0 HA ARG A 42 4.094 0.283 -6.358 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.992 1.820 -6.031 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.092 1.376 -4.339 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.393 -1.074 -5.297 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.847 -0.236 -6.768 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.192 -0.164 -4.062 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.891 -0.551 -5.622 1.00 0.00 H new ATOM 0 HE ARG A 42 8.070 2.091 -5.906 1.00 0.00 H new ATOM 0 HH11 ARG A 42 10.115 0.298 -3.655 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.158 1.684 -3.318 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.414 3.867 -5.468 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.762 3.695 -4.340 1.00 0.00 H new ATOM 603 N LYS A 43 3.988 -1.772 -4.972 1.00 0.00 N ATOM 604 CA LYS A 43 3.765 -2.976 -4.181 1.00 0.00 C ATOM 605 C LYS A 43 5.036 -3.815 -4.095 1.00 0.00 C ATOM 606 O LYS A 43 5.311 -4.633 -4.972 1.00 0.00 O ATOM 607 CB LYS A 43 2.632 -3.807 -4.788 1.00 0.00 C ATOM 608 CG LYS A 43 2.351 -5.095 -4.034 1.00 0.00 C ATOM 609 CD LYS A 43 1.255 -5.906 -4.705 1.00 0.00 C ATOM 610 CE LYS A 43 1.019 -7.226 -3.987 1.00 0.00 C ATOM 611 NZ LYS A 43 0.204 -8.165 -4.806 1.00 0.00 N ATOM 0 H LYS A 43 4.019 -1.930 -5.979 1.00 0.00 H new ATOM 0 HA LYS A 43 3.484 -2.671 -3.173 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.724 -3.205 -4.812 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.883 -4.048 -5.821 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.262 -5.690 -3.977 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.058 -4.862 -3.010 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.331 -5.328 -4.720 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.527 -6.099 -5.743 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.978 -7.688 -3.752 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.514 -7.039 -3.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.066 -9.052 -4.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.721 -7.735 -5.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.697 -8.364 -5.700 1.00 0.00 H new ATOM 670 N GLU A 47 5.262 -1.438 -9.566 1.00 0.00 N ATOM 671 CA GLU A 47 4.554 -0.164 -9.583 1.00 0.00 C ATOM 672 C GLU A 47 3.055 -0.376 -9.774 1.00 0.00 C ATOM 673 O GLU A 47 2.632 -1.176 -10.610 1.00 0.00 O ATOM 674 CB GLU A 47 5.099 0.734 -10.695 1.00 0.00 C ATOM 675 CG GLU A 47 4.517 2.137 -10.686 1.00 0.00 C ATOM 676 CD GLU A 47 4.798 2.894 -11.969 1.00 0.00 C ATOM 677 OE1 GLU A 47 5.977 3.220 -12.220 1.00 0.00 O ATOM 678 OE2 GLU A 47 3.838 3.161 -12.723 1.00 0.00 O ATOM 0 HA GLU A 47 4.715 0.323 -8.621 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.183 0.799 -10.599 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.891 0.270 -11.659 1.00 0.00 H new ATOM 0 HG2 GLU A 47 3.440 2.078 -10.532 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.930 2.692 -9.843 1.00 0.00 H new ATOM 685 N LEU A 48 2.257 0.344 -8.994 1.00 0.00 N ATOM 686 CA LEU A 48 0.805 0.235 -9.076 1.00 0.00 C ATOM 687 C LEU A 48 0.221 1.366 -9.917 1.00 0.00 C ATOM 688 O LEU A 48 0.870 2.388 -10.138 1.00 0.00 O ATOM 689 CB LEU A 48 0.192 0.257 -7.675 1.00 0.00 C ATOM 690 CG LEU A 48 0.873 -0.628 -6.630 1.00 0.00 C ATOM 691 CD1 LEU A 48 0.230 -0.436 -5.266 1.00 0.00 C ATOM 692 CD2 LEU A 48 0.812 -2.090 -7.049 1.00 0.00 C ATOM 0 H LEU A 48 2.591 1.010 -8.297 1.00 0.00 H new ATOM 0 HA LEU A 48 0.563 -0.713 -9.557 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.201 1.285 -7.313 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.852 -0.045 -7.752 1.00 0.00 H new ATOM 0 HG LEU A 48 1.920 -0.333 -6.559 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.728 -1.074 -4.536 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.326 0.606 -4.962 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.825 -0.703 -5.321 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.301 -2.706 -6.294 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.229 -2.397 -7.148 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.320 -2.216 -8.005 1.00 0.00 H new ATOM 704 N ARG A 49 -1.010 1.176 -10.380 1.00 0.00 N ATOM 705 CA ARG A 49 -1.683 2.181 -11.196 1.00 0.00 C ATOM 706 C ARG A 49 -3.192 2.141 -10.972 1.00 0.00 C ATOM 707 O ARG A 49 -3.769 1.077 -10.751 1.00 0.00 O ATOM 708 CB ARG A 49 -1.370 1.959 -12.677 1.00 0.00 C ATOM 709 CG ARG A 49 -1.978 0.688 -13.244 1.00 0.00 C ATOM 710 CD ARG A 49 -1.303 0.280 -14.545 1.00 0.00 C ATOM 711 NE ARG A 49 -2.049 -0.763 -15.244 1.00 0.00 N ATOM 712 CZ ARG A 49 -1.841 -1.088 -16.516 1.00 0.00 C ATOM 713 NH1 ARG A 49 -0.915 -0.455 -17.222 1.00 0.00 N ATOM 714 NH2 ARG A 49 -2.560 -2.048 -17.082 1.00 0.00 N ATOM 0 H ARG A 49 -1.562 0.336 -10.205 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.315 3.162 -10.897 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.735 2.812 -13.249 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.289 1.925 -12.810 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.884 -0.118 -12.516 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.044 0.839 -13.417 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -1.206 1.152 -15.192 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.294 -0.075 -14.334 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.769 -1.269 -14.728 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.360 0.283 -16.789 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.757 -0.706 -18.198 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.273 -2.537 -16.541 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -2.400 -2.297 -18.058 1.00 0.00 H new ATOM 728 N ALA A 50 -3.825 3.308 -11.032 1.00 0.00 N ATOM 729 CA ALA A 50 -5.266 3.406 -10.838 1.00 0.00 C ATOM 730 C ALA A 50 -6.001 2.327 -11.626 1.00 0.00 C ATOM 731 O ALA A 50 -6.164 2.435 -12.841 1.00 0.00 O ATOM 732 CB ALA A 50 -5.760 4.787 -11.243 1.00 0.00 C ATOM 0 H ALA A 50 -3.362 4.199 -11.213 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.476 3.253 -9.780 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.838 4.846 -11.093 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.267 5.543 -10.633 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.530 4.962 -12.294 1.00 0.00 H new ATOM 738 N SER A 51 -6.442 1.287 -10.926 1.00 0.00 N ATOM 739 CA SER A 51 -7.155 0.185 -11.561 1.00 0.00 C ATOM 740 C SER A 51 -8.119 -0.475 -10.580 1.00 0.00 C ATOM 741 O SER A 51 -7.997 -0.311 -9.367 1.00 0.00 O ATOM 742 CB SER A 51 -6.165 -0.851 -12.097 1.00 0.00 C ATOM 743 OG SER A 51 -5.719 -0.505 -13.397 1.00 0.00 O ATOM 0 H SER A 51 -6.318 1.184 -9.919 1.00 0.00 H new ATOM 0 HA SER A 51 -7.731 0.590 -12.393 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.311 -0.925 -11.424 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.638 -1.833 -12.121 1.00 0.00 H new ATOM 0 HG SER A 51 -5.775 0.466 -13.514 1.00 0.00 H new ATOM 749 N GLY A 52 -9.078 -1.224 -11.116 1.00 0.00 N ATOM 750 CA GLY A 52 -10.050 -1.899 -10.275 1.00 0.00 C ATOM 751 C GLY A 52 -9.452 -2.373 -8.965 1.00 0.00 C ATOM 752 O GLY A 52 -10.114 -2.349 -7.927 1.00 0.00 O ATOM 0 H GLY A 52 -9.199 -1.375 -12.117 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.880 -1.223 -10.069 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -10.461 -2.753 -10.813 1.00 0.00 H new ATOM 756 N LYS A 53 -8.198 -2.809 -9.012 1.00 0.00 N ATOM 757 CA LYS A 53 -7.510 -3.292 -7.821 1.00 0.00 C ATOM 758 C LYS A 53 -7.052 -2.128 -6.947 1.00 0.00 C ATOM 759 O LYS A 53 -7.581 -1.913 -5.856 1.00 0.00 O ATOM 760 CB LYS A 53 -6.307 -4.152 -8.215 1.00 0.00 C ATOM 761 CG LYS A 53 -5.804 -5.046 -7.095 1.00 0.00 C ATOM 762 CD LYS A 53 -6.774 -6.180 -6.809 1.00 0.00 C ATOM 763 CE LYS A 53 -6.314 -7.023 -5.630 1.00 0.00 C ATOM 764 NZ LYS A 53 -5.151 -7.884 -5.984 1.00 0.00 N ATOM 0 H LYS A 53 -7.637 -2.838 -9.863 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.211 -3.899 -7.248 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.579 -4.772 -9.069 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.496 -3.500 -8.540 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.831 -5.457 -7.365 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.659 -4.453 -6.192 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.763 -5.771 -6.601 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.869 -6.810 -7.693 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.043 -6.370 -4.800 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.138 -7.649 -5.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.867 -8.443 -5.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.417 -8.525 -6.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.356 -7.286 -6.287 1.00 0.00 H new ATOM 778 N HIS A 54 -6.066 -1.381 -7.434 1.00 0.00 N ATOM 779 CA HIS A 54 -5.539 -0.237 -6.698 1.00 0.00 C ATOM 780 C HIS A 54 -6.159 1.064 -7.198 1.00 0.00 C ATOM 781 O HIS A 54 -5.777 1.580 -8.248 1.00 0.00 O ATOM 782 CB HIS A 54 -4.017 -0.175 -6.832 1.00 0.00 C ATOM 783 CG HIS A 54 -3.352 -1.513 -6.731 1.00 0.00 C ATOM 784 ND1 HIS A 54 -2.988 -2.259 -7.832 1.00 0.00 N ATOM 785 CD2 HIS A 54 -2.984 -2.239 -5.649 1.00 0.00 C ATOM 786 CE1 HIS A 54 -2.426 -3.385 -7.432 1.00 0.00 C ATOM 787 NE2 HIS A 54 -2.411 -3.398 -6.112 1.00 0.00 N ATOM 0 H HIS A 54 -5.616 -1.547 -8.334 1.00 0.00 H new ATOM 0 HA HIS A 54 -5.799 -0.362 -5.647 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -3.763 0.276 -7.791 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -3.619 0.479 -6.056 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -3.116 -1.959 -4.614 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -2.043 -4.163 -8.076 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -2.035 -4.147 -5.531 1.00 0.00 H new ATOM 796 N GLN A 55 -7.117 1.587 -6.440 1.00 0.00 N ATOM 797 CA GLN A 55 -7.790 2.827 -6.808 1.00 0.00 C ATOM 798 C GLN A 55 -7.462 3.940 -5.818 1.00 0.00 C ATOM 799 O GLN A 55 -8.164 4.152 -4.830 1.00 0.00 O ATOM 800 CB GLN A 55 -9.303 2.612 -6.868 1.00 0.00 C ATOM 801 CG GLN A 55 -10.082 3.866 -7.234 1.00 0.00 C ATOM 802 CD GLN A 55 -9.829 4.315 -8.659 1.00 0.00 C ATOM 803 OE1 GLN A 55 -10.334 3.717 -9.610 1.00 0.00 O ATOM 804 NE2 GLN A 55 -9.043 5.374 -8.815 1.00 0.00 N ATOM 0 H GLN A 55 -7.445 1.172 -5.568 1.00 0.00 H new ATOM 0 HA GLN A 55 -7.433 3.126 -7.793 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -9.522 1.832 -7.598 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -9.649 2.249 -5.900 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.147 3.679 -7.100 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.811 4.670 -6.550 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.646 5.839 -7.999 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.837 5.722 -9.751 1.00 0.00 H new ATOM 813 N PRO A 56 -6.368 4.668 -6.087 1.00 0.00 N ATOM 814 CA PRO A 56 -5.922 5.772 -5.231 1.00 0.00 C ATOM 815 C PRO A 56 -6.858 6.973 -5.299 1.00 0.00 C ATOM 816 O PRO A 56 -7.826 6.976 -6.060 1.00 0.00 O ATOM 817 CB PRO A 56 -4.548 6.131 -5.804 1.00 0.00 C ATOM 818 CG PRO A 56 -4.604 5.691 -7.226 1.00 0.00 C ATOM 819 CD PRO A 56 -5.484 4.471 -7.248 1.00 0.00 C ATOM 0 HA PRO A 56 -5.900 5.489 -4.179 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.355 7.201 -5.728 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -3.749 5.624 -5.264 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.011 6.477 -7.862 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.608 5.460 -7.603 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.050 4.400 -8.177 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.902 3.554 -7.159 1.00 0.00 H new ATOM 827 N SER A 57 -6.564 7.992 -4.498 1.00 0.00 N ATOM 828 CA SER A 57 -7.383 9.199 -4.465 1.00 0.00 C ATOM 829 C SER A 57 -6.749 10.261 -3.571 1.00 0.00 C ATOM 830 O SER A 57 -5.774 9.994 -2.869 1.00 0.00 O ATOM 831 CB SER A 57 -8.791 8.871 -3.966 1.00 0.00 C ATOM 832 OG SER A 57 -9.633 8.481 -5.037 1.00 0.00 O ATOM 0 H SER A 57 -5.766 8.006 -3.863 1.00 0.00 H new ATOM 0 HA SER A 57 -7.447 9.593 -5.479 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.741 8.070 -3.228 1.00 0.00 H new ATOM 0 HB3 SER A 57 -9.215 9.741 -3.464 1.00 0.00 H new ATOM 0 HG SER A 57 -9.325 7.625 -5.400 1.00 0.00 H new ATOM 838 N GLN A 58 -7.310 11.465 -3.605 1.00 0.00 N ATOM 839 CA GLN A 58 -6.799 12.568 -2.799 1.00 0.00 C ATOM 840 C GLN A 58 -7.943 13.384 -2.207 1.00 0.00 C ATOM 841 O GLN A 58 -8.978 13.573 -2.845 1.00 0.00 O ATOM 842 CB GLN A 58 -5.897 13.469 -3.643 1.00 0.00 C ATOM 843 CG GLN A 58 -5.394 14.695 -2.899 1.00 0.00 C ATOM 844 CD GLN A 58 -4.038 15.162 -3.391 1.00 0.00 C ATOM 845 OE1 GLN A 58 -3.064 15.180 -2.638 1.00 0.00 O ATOM 846 NE2 GLN A 58 -3.968 15.541 -4.662 1.00 0.00 N ATOM 0 H GLN A 58 -8.118 11.702 -4.181 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.215 12.147 -1.980 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -5.042 12.889 -3.991 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.445 13.791 -4.528 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.115 15.504 -3.011 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.332 14.469 -1.835 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -4.801 15.510 -5.250 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -3.081 15.863 -5.050 1.00 0.00 H new ATOM 855 N GLU A 59 -7.749 13.866 -0.983 1.00 0.00 N ATOM 856 CA GLU A 59 -8.766 14.661 -0.305 1.00 0.00 C ATOM 857 C GLU A 59 -8.143 15.521 0.791 1.00 0.00 C ATOM 858 O GLU A 59 -7.499 15.009 1.706 1.00 0.00 O ATOM 859 CB GLU A 59 -9.840 13.752 0.294 1.00 0.00 C ATOM 860 CG GLU A 59 -10.995 13.470 -0.652 1.00 0.00 C ATOM 861 CD GLU A 59 -12.280 13.135 0.080 1.00 0.00 C ATOM 862 OE1 GLU A 59 -12.441 11.966 0.490 1.00 0.00 O ATOM 863 OE2 GLU A 59 -13.125 14.039 0.241 1.00 0.00 O ATOM 0 H GLU A 59 -6.897 13.720 -0.441 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.227 15.319 -1.042 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -9.382 12.807 0.587 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.229 14.213 1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.160 14.340 -1.288 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.728 12.641 -1.308 1.00 0.00 H new ATOM 870 N GLY A 60 -8.338 16.833 0.690 1.00 0.00 N ATOM 871 CA GLY A 60 -7.790 17.743 1.678 1.00 0.00 C ATOM 872 C GLY A 60 -6.432 17.298 2.185 1.00 0.00 C ATOM 873 O GLY A 60 -6.274 16.987 3.366 1.00 0.00 O ATOM 0 H GLY A 60 -8.866 17.281 -0.059 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.704 18.738 1.242 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.480 17.821 2.518 1.00 0.00 H new ATOM 877 N LEU A 61 -5.450 17.267 1.291 1.00 0.00 N ATOM 878 CA LEU A 61 -4.098 16.855 1.654 1.00 0.00 C ATOM 879 C LEU A 61 -4.099 15.452 2.254 1.00 0.00 C ATOM 880 O LEU A 61 -3.242 15.114 3.072 1.00 0.00 O ATOM 881 CB LEU A 61 -3.491 17.847 2.648 1.00 0.00 C ATOM 882 CG LEU A 61 -3.514 19.317 2.229 1.00 0.00 C ATOM 883 CD1 LEU A 61 -3.486 20.221 3.451 1.00 0.00 C ATOM 884 CD2 LEU A 61 -2.344 19.626 1.306 1.00 0.00 C ATOM 0 H LEU A 61 -5.564 17.522 0.310 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.493 16.842 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.022 17.752 3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.456 17.559 2.832 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.439 19.506 1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.503 21.263 3.133 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.357 20.018 4.074 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.578 20.031 4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.376 20.677 1.017 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.407 19.420 1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.410 19.003 0.414 1.00 0.00 H new ATOM 896 N THR A 62 -5.065 14.638 1.840 1.00 0.00 N ATOM 897 CA THR A 62 -5.176 13.272 2.335 1.00 0.00 C ATOM 898 C THR A 62 -5.198 12.271 1.185 1.00 0.00 C ATOM 899 O THR A 62 -6.107 12.284 0.354 1.00 0.00 O ATOM 900 CB THR A 62 -6.445 13.085 3.188 1.00 0.00 C ATOM 901 OG1 THR A 62 -6.658 14.238 4.009 1.00 0.00 O ATOM 902 CG2 THR A 62 -6.332 11.846 4.063 1.00 0.00 C ATOM 0 H THR A 62 -5.781 14.901 1.163 1.00 0.00 H new ATOM 0 HA THR A 62 -4.299 13.088 2.956 1.00 0.00 H new ATOM 0 HB THR A 62 -7.293 12.958 2.515 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.941 14.991 3.449 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.240 11.735 4.656 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.200 10.966 3.433 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.474 11.947 4.728 1.00 0.00 H new ATOM 910 N LEU A 63 -4.193 11.403 1.144 1.00 0.00 N ATOM 911 CA LEU A 63 -4.098 10.393 0.095 1.00 0.00 C ATOM 912 C LEU A 63 -4.369 9.000 0.655 1.00 0.00 C ATOM 913 O LEU A 63 -4.008 8.696 1.792 1.00 0.00 O ATOM 914 CB LEU A 63 -2.713 10.433 -0.554 1.00 0.00 C ATOM 915 CG LEU A 63 -2.223 11.810 -1.004 1.00 0.00 C ATOM 916 CD1 LEU A 63 -0.703 11.867 -0.987 1.00 0.00 C ATOM 917 CD2 LEU A 63 -2.755 12.138 -2.392 1.00 0.00 C ATOM 0 H LEU A 63 -3.433 11.378 1.824 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.853 10.615 -0.659 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.990 10.025 0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.720 9.771 -1.420 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.602 12.556 -0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.372 12.854 -1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.343 11.677 0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.303 11.111 -1.663 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.396 13.121 -2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.405 11.389 -3.102 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.845 12.139 -2.373 1.00 0.00 H new ATOM 929 N ARG A 64 -5.005 8.157 -0.153 1.00 0.00 N ATOM 930 CA ARG A 64 -5.324 6.796 0.261 1.00 0.00 C ATOM 931 C ARG A 64 -5.494 5.885 -0.951 1.00 0.00 C ATOM 932 O ARG A 64 -5.991 6.309 -1.995 1.00 0.00 O ATOM 933 CB ARG A 64 -6.599 6.783 1.106 1.00 0.00 C ATOM 934 CG ARG A 64 -7.876 6.798 0.282 1.00 0.00 C ATOM 935 CD ARG A 64 -9.089 7.121 1.140 1.00 0.00 C ATOM 936 NE ARG A 64 -9.128 6.315 2.357 1.00 0.00 N ATOM 937 CZ ARG A 64 -10.240 6.069 3.040 1.00 0.00 C ATOM 938 NH1 ARG A 64 -11.399 6.563 2.627 1.00 0.00 N ATOM 939 NH2 ARG A 64 -10.195 5.326 4.139 1.00 0.00 N ATOM 0 H ARG A 64 -5.309 8.393 -1.098 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.495 6.422 0.861 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.596 5.896 1.740 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.594 7.648 1.769 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.787 7.535 -0.516 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.014 5.828 -0.195 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.074 8.178 1.405 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.998 6.950 0.563 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.253 5.919 2.701 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.438 7.134 1.783 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.251 6.372 3.154 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -9.306 4.943 4.460 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.050 5.138 4.663 1.00 0.00 H new ATOM 953 N LEU A 65 -5.078 4.632 -0.805 1.00 0.00 N ATOM 954 CA LEU A 65 -5.184 3.660 -1.888 1.00 0.00 C ATOM 955 C LEU A 65 -5.985 2.439 -1.447 1.00 0.00 C ATOM 956 O LEU A 65 -5.485 1.588 -0.711 1.00 0.00 O ATOM 957 CB LEU A 65 -3.791 3.231 -2.353 1.00 0.00 C ATOM 958 CG LEU A 65 -3.748 2.211 -3.491 1.00 0.00 C ATOM 959 CD1 LEU A 65 -4.268 2.828 -4.780 1.00 0.00 C ATOM 960 CD2 LEU A 65 -2.333 1.684 -3.682 1.00 0.00 C ATOM 0 H LEU A 65 -4.664 4.265 0.052 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.707 4.134 -2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.245 4.120 -2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.257 2.815 -1.499 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.393 1.373 -3.227 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.230 2.088 -5.579 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.298 3.155 -4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.649 3.684 -5.049 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.321 0.959 -4.496 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.666 2.512 -3.924 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.997 1.203 -2.763 1.00 0.00 H new ATOM 972 N THR A 66 -7.230 2.357 -1.905 1.00 0.00 N ATOM 973 CA THR A 66 -8.100 1.240 -1.559 1.00 0.00 C ATOM 974 C THR A 66 -7.713 -0.017 -2.330 1.00 0.00 C ATOM 975 O THR A 66 -7.731 -0.031 -3.561 1.00 0.00 O ATOM 976 CB THR A 66 -9.578 1.569 -1.844 1.00 0.00 C ATOM 977 OG1 THR A 66 -9.924 2.825 -1.249 1.00 0.00 O ATOM 978 CG2 THR A 66 -10.489 0.478 -1.305 1.00 0.00 C ATOM 0 H THR A 66 -7.659 3.051 -2.517 1.00 0.00 H new ATOM 0 HA THR A 66 -7.975 1.061 -0.491 1.00 0.00 H new ATOM 0 HB THR A 66 -9.712 1.630 -2.924 1.00 0.00 H new ATOM 0 HG1 THR A 66 -10.864 3.028 -1.436 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.527 0.733 -1.518 1.00 0.00 H new ATOM 0 HG22 THR A 66 -10.243 -0.470 -1.782 1.00 0.00 H new ATOM 0 HG23 THR A 66 -10.351 0.388 -0.227 1.00 0.00 H new ATOM 986 N ILE A 67 -7.365 -1.070 -1.598 1.00 0.00 N ATOM 987 CA ILE A 67 -6.976 -2.332 -2.214 1.00 0.00 C ATOM 988 C ILE A 67 -7.936 -3.452 -1.828 1.00 0.00 C ATOM 989 O ILE A 67 -7.924 -3.930 -0.694 1.00 0.00 O ATOM 990 CB ILE A 67 -5.545 -2.737 -1.813 1.00 0.00 C ATOM 991 CG1 ILE A 67 -4.589 -1.555 -1.986 1.00 0.00 C ATOM 992 CG2 ILE A 67 -5.080 -3.927 -2.638 1.00 0.00 C ATOM 993 CD1 ILE A 67 -3.321 -1.678 -1.171 1.00 0.00 C ATOM 0 H ILE A 67 -7.345 -1.074 -0.578 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.013 -2.181 -3.293 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.547 -3.027 -0.762 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.326 -1.462 -3.040 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.105 -0.637 -1.704 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.067 -4.201 -2.343 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.748 -4.771 -2.468 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -5.091 -3.663 -3.696 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.692 -0.805 -1.343 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.573 -1.740 -0.112 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.783 -2.578 -1.469 1.00 0.00 H new ATOM 1005 N SER A 68 -8.766 -3.866 -2.780 1.00 0.00 N ATOM 1006 CA SER A 68 -9.736 -4.929 -2.539 1.00 0.00 C ATOM 1007 C SER A 68 -9.220 -6.264 -3.067 1.00 0.00 C ATOM 1008 O SER A 68 -8.272 -6.310 -3.851 1.00 0.00 O ATOM 1009 CB SER A 68 -11.072 -4.588 -3.201 1.00 0.00 C ATOM 1010 OG SER A 68 -11.625 -3.403 -2.653 1.00 0.00 O ATOM 0 H SER A 68 -8.787 -3.482 -3.725 1.00 0.00 H new ATOM 0 HA SER A 68 -9.884 -5.016 -1.463 1.00 0.00 H new ATOM 0 HB2 SER A 68 -10.928 -4.464 -4.274 1.00 0.00 H new ATOM 0 HB3 SER A 68 -11.770 -5.415 -3.067 1.00 0.00 H new ATOM 0 HG SER A 68 -12.478 -3.206 -3.094 1.00 0.00 H new ATOM 1016 N ALA A 69 -9.852 -7.349 -2.631 1.00 0.00 N ATOM 1017 CA ALA A 69 -9.459 -8.686 -3.060 1.00 0.00 C ATOM 1018 C ALA A 69 -8.062 -9.035 -2.559 1.00 0.00 C ATOM 1019 O ALA A 69 -7.205 -9.470 -3.330 1.00 0.00 O ATOM 1020 CB ALA A 69 -9.520 -8.792 -4.577 1.00 0.00 C ATOM 0 H ALA A 69 -10.638 -7.328 -1.981 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.160 -9.400 -2.628 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -9.224 -9.795 -4.884 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.537 -8.594 -4.915 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.842 -8.062 -5.020 1.00 0.00 H new ATOM 1026 N LEU A 70 -7.838 -8.842 -1.264 1.00 0.00 N ATOM 1027 CA LEU A 70 -6.543 -9.137 -0.659 1.00 0.00 C ATOM 1028 C LEU A 70 -6.237 -10.629 -0.727 1.00 0.00 C ATOM 1029 O LEU A 70 -7.083 -11.428 -1.130 1.00 0.00 O ATOM 1030 CB LEU A 70 -6.519 -8.665 0.796 1.00 0.00 C ATOM 1031 CG LEU A 70 -6.878 -7.198 1.032 1.00 0.00 C ATOM 1032 CD1 LEU A 70 -7.341 -6.985 2.465 1.00 0.00 C ATOM 1033 CD2 LEU A 70 -5.691 -6.300 0.714 1.00 0.00 C ATOM 0 H LEU A 70 -8.536 -8.483 -0.612 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.777 -8.603 -1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.209 -9.284 1.369 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -5.522 -8.843 1.198 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.698 -6.933 0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.592 -5.935 2.614 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.220 -7.599 2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.543 -7.268 3.151 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.965 -5.259 0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.851 -6.566 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.405 -6.430 -0.330 1.00 0.00 H new ATOM 1045 N GLU A 71 -5.024 -10.999 -0.329 1.00 0.00 N ATOM 1046 CA GLU A 71 -4.608 -12.396 -0.343 1.00 0.00 C ATOM 1047 C GLU A 71 -3.272 -12.574 0.373 1.00 0.00 C ATOM 1048 O GLU A 71 -2.497 -11.627 0.509 1.00 0.00 O ATOM 1049 CB GLU A 71 -4.500 -12.904 -1.783 1.00 0.00 C ATOM 1050 CG GLU A 71 -3.477 -12.151 -2.618 1.00 0.00 C ATOM 1051 CD GLU A 71 -3.807 -12.168 -4.098 1.00 0.00 C ATOM 1052 OE1 GLU A 71 -4.747 -11.454 -4.504 1.00 0.00 O ATOM 1053 OE2 GLU A 71 -3.124 -12.894 -4.849 1.00 0.00 O ATOM 0 H GLU A 71 -4.312 -10.350 0.007 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.363 -12.979 0.185 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.237 -13.962 -1.768 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.476 -12.825 -2.262 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -3.421 -11.118 -2.274 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -2.492 -12.592 -2.464 1.00 0.00 H new ATOM 1060 N LYS A 72 -3.010 -13.794 0.828 1.00 0.00 N ATOM 1061 CA LYS A 72 -1.768 -14.098 1.530 1.00 0.00 C ATOM 1062 C LYS A 72 -0.581 -13.424 0.852 1.00 0.00 C ATOM 1063 O LYS A 72 0.291 -12.865 1.517 1.00 0.00 O ATOM 1064 CB LYS A 72 -1.547 -15.612 1.583 1.00 0.00 C ATOM 1065 CG LYS A 72 -2.723 -16.379 2.162 1.00 0.00 C ATOM 1066 CD LYS A 72 -2.353 -17.820 2.468 1.00 0.00 C ATOM 1067 CE LYS A 72 -1.758 -17.958 3.861 1.00 0.00 C ATOM 1068 NZ LYS A 72 -0.382 -17.394 3.935 1.00 0.00 N ATOM 0 H LYS A 72 -3.641 -14.589 0.724 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.850 -13.712 2.546 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.347 -15.977 0.576 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.659 -15.820 2.180 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.065 -15.889 3.074 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.555 -16.358 1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.239 -18.450 2.385 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -1.637 -18.178 1.728 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -2.398 -17.449 4.581 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.735 -19.011 4.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.124 -17.817 4.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.128 -17.607 3.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.436 -16.363 4.063 1.00 0.00 H new ATOM 1082 N ALA A 73 -0.553 -13.478 -0.476 1.00 0.00 N ATOM 1083 CA ALA A 73 0.526 -12.869 -1.244 1.00 0.00 C ATOM 1084 C ALA A 73 0.541 -11.355 -1.064 1.00 0.00 C ATOM 1085 O ALA A 73 1.602 -10.749 -0.917 1.00 0.00 O ATOM 1086 CB ALA A 73 0.392 -13.227 -2.717 1.00 0.00 C ATOM 0 H ALA A 73 -1.266 -13.938 -1.042 1.00 0.00 H new ATOM 0 HA ALA A 73 1.472 -13.262 -0.871 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.204 -12.766 -3.279 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.439 -14.310 -2.834 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.563 -12.862 -3.095 1.00 0.00 H new ATOM 1092 N ASP A 74 -0.642 -10.751 -1.077 1.00 0.00 N ATOM 1093 CA ASP A 74 -0.765 -9.307 -0.915 1.00 0.00 C ATOM 1094 C ASP A 74 0.186 -8.798 0.164 1.00 0.00 C ATOM 1095 O ASP A 74 0.800 -7.742 0.016 1.00 0.00 O ATOM 1096 CB ASP A 74 -2.205 -8.933 -0.561 1.00 0.00 C ATOM 1097 CG ASP A 74 -2.561 -7.525 -0.998 1.00 0.00 C ATOM 1098 OD1 ASP A 74 -2.875 -7.336 -2.191 1.00 0.00 O ATOM 1099 OD2 ASP A 74 -2.526 -6.612 -0.145 1.00 0.00 O ATOM 0 H ASP A 74 -1.530 -11.239 -1.198 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.498 -8.836 -1.861 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -2.887 -9.640 -1.032 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.347 -9.023 0.516 1.00 0.00 H new ATOM 1104 N SER A 75 0.302 -9.557 1.249 1.00 0.00 N ATOM 1105 CA SER A 75 1.174 -9.181 2.355 1.00 0.00 C ATOM 1106 C SER A 75 2.544 -8.749 1.844 1.00 0.00 C ATOM 1107 O SER A 75 3.341 -9.574 1.396 1.00 0.00 O ATOM 1108 CB SER A 75 1.327 -10.349 3.332 1.00 0.00 C ATOM 1109 OG SER A 75 0.068 -10.758 3.839 1.00 0.00 O ATOM 0 H SER A 75 -0.197 -10.436 1.385 1.00 0.00 H new ATOM 0 HA SER A 75 0.717 -8.339 2.875 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.810 -11.187 2.829 1.00 0.00 H new ATOM 0 HB3 SER A 75 1.977 -10.055 4.156 1.00 0.00 H new ATOM 0 HG SER A 75 0.038 -11.736 3.891 1.00 0.00 H new ATOM 1115 N ASP A 76 2.812 -7.449 1.914 1.00 0.00 N ATOM 1116 CA ASP A 76 4.086 -6.905 1.459 1.00 0.00 C ATOM 1117 C ASP A 76 4.249 -5.456 1.906 1.00 0.00 C ATOM 1118 O ASP A 76 3.407 -4.918 2.626 1.00 0.00 O ATOM 1119 CB ASP A 76 4.190 -6.997 -0.064 1.00 0.00 C ATOM 1120 CG ASP A 76 5.626 -7.088 -0.543 1.00 0.00 C ATOM 1121 OD1 ASP A 76 6.527 -7.233 0.310 1.00 0.00 O ATOM 1122 OD2 ASP A 76 5.848 -7.015 -1.769 1.00 0.00 O ATOM 0 H ASP A 76 2.164 -6.753 2.282 1.00 0.00 H new ATOM 0 HA ASP A 76 4.885 -7.496 1.906 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.639 -7.871 -0.411 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.716 -6.123 -0.511 1.00 0.00 H new ATOM 1127 N THR A 77 5.338 -4.827 1.474 1.00 0.00 N ATOM 1128 CA THR A 77 5.613 -3.441 1.831 1.00 0.00 C ATOM 1129 C THR A 77 5.265 -2.499 0.685 1.00 0.00 C ATOM 1130 O THR A 77 5.919 -2.507 -0.358 1.00 0.00 O ATOM 1131 CB THR A 77 7.092 -3.242 2.214 1.00 0.00 C ATOM 1132 OG1 THR A 77 7.425 -4.073 3.332 1.00 0.00 O ATOM 1133 CG2 THR A 77 7.371 -1.787 2.556 1.00 0.00 C ATOM 0 H THR A 77 6.044 -5.256 0.876 1.00 0.00 H new ATOM 0 HA THR A 77 4.988 -3.207 2.693 1.00 0.00 H new ATOM 0 HB THR A 77 7.707 -3.522 1.359 1.00 0.00 H new ATOM 0 HG1 THR A 77 8.367 -3.942 3.568 1.00 0.00 H new ATOM 0 HG21 THR A 77 8.421 -1.671 2.823 1.00 0.00 H new ATOM 0 HG22 THR A 77 7.145 -1.161 1.693 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.747 -1.485 3.397 1.00 0.00 H new ATOM 1141 N TYR A 78 4.232 -1.688 0.885 1.00 0.00 N ATOM 1142 CA TYR A 78 3.797 -0.740 -0.134 1.00 0.00 C ATOM 1143 C TYR A 78 4.464 0.618 0.065 1.00 0.00 C ATOM 1144 O TYR A 78 4.662 1.068 1.194 1.00 0.00 O ATOM 1145 CB TYR A 78 2.276 -0.583 -0.097 1.00 0.00 C ATOM 1146 CG TYR A 78 1.528 -1.865 -0.386 1.00 0.00 C ATOM 1147 CD1 TYR A 78 1.581 -2.937 0.496 1.00 0.00 C ATOM 1148 CD2 TYR A 78 0.769 -2.004 -1.542 1.00 0.00 C ATOM 1149 CE1 TYR A 78 0.900 -4.111 0.235 1.00 0.00 C ATOM 1150 CE2 TYR A 78 0.084 -3.173 -1.810 1.00 0.00 C ATOM 1151 CZ TYR A 78 0.152 -4.224 -0.919 1.00 0.00 C ATOM 1152 OH TYR A 78 -0.528 -5.390 -1.183 1.00 0.00 O ATOM 0 H TYR A 78 3.681 -1.668 1.743 1.00 0.00 H new ATOM 0 HA TYR A 78 4.093 -1.131 -1.108 1.00 0.00 H new ATOM 0 HB2 TYR A 78 1.981 -0.214 0.885 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.979 0.173 -0.824 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.164 -2.852 1.401 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.714 -1.184 -2.243 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.953 -4.936 0.931 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -0.502 -3.264 -2.713 1.00 0.00 H new ATOM 0 HH TYR A 78 -1.085 -5.626 -0.412 1.00 0.00 H new ATOM 1162 N THR A 79 4.808 1.268 -1.043 1.00 0.00 N ATOM 1163 CA THR A 79 5.453 2.574 -0.993 1.00 0.00 C ATOM 1164 C THR A 79 4.647 3.615 -1.761 1.00 0.00 C ATOM 1165 O THR A 79 4.438 3.487 -2.968 1.00 0.00 O ATOM 1166 CB THR A 79 6.880 2.518 -1.571 1.00 0.00 C ATOM 1167 OG1 THR A 79 7.715 1.706 -0.738 1.00 0.00 O ATOM 1168 CG2 THR A 79 7.473 3.914 -1.684 1.00 0.00 C ATOM 0 H THR A 79 4.651 0.911 -1.985 1.00 0.00 H new ATOM 0 HA THR A 79 5.505 2.861 0.057 1.00 0.00 H new ATOM 0 HB THR A 79 6.827 2.081 -2.568 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.620 1.674 -1.113 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.481 3.849 -2.094 1.00 0.00 H new ATOM 0 HG22 THR A 79 6.852 4.521 -2.342 1.00 0.00 H new ATOM 0 HG23 THR A 79 7.512 4.374 -0.696 1.00 0.00 H new ATOM 1176 N CYS A 80 4.196 4.646 -1.054 1.00 0.00 N ATOM 1177 CA CYS A 80 3.412 5.711 -1.670 1.00 0.00 C ATOM 1178 C CYS A 80 4.306 6.874 -2.086 1.00 0.00 C ATOM 1179 O CYS A 80 4.734 7.671 -1.251 1.00 0.00 O ATOM 1180 CB CYS A 80 2.333 6.201 -0.704 1.00 0.00 C ATOM 1181 SG CYS A 80 1.327 7.559 -1.349 1.00 0.00 S ATOM 0 H CYS A 80 4.360 4.767 -0.055 1.00 0.00 H new ATOM 0 HA CYS A 80 2.934 5.307 -2.563 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.679 5.366 -0.453 1.00 0.00 H new ATOM 0 HB3 CYS A 80 2.809 6.523 0.222 1.00 0.00 H new ATOM 0 HG CYS A 80 0.113 7.141 -1.554 1.00 0.00 H new ATOM 1187 N ASP A 81 4.586 6.964 -3.382 1.00 0.00 N ATOM 1188 CA ASP A 81 5.430 8.030 -3.909 1.00 0.00 C ATOM 1189 C ASP A 81 4.584 9.197 -4.408 1.00 0.00 C ATOM 1190 O ASP A 81 3.554 8.999 -5.054 1.00 0.00 O ATOM 1191 CB ASP A 81 6.308 7.499 -5.044 1.00 0.00 C ATOM 1192 CG ASP A 81 6.815 8.605 -5.949 1.00 0.00 C ATOM 1193 OD1 ASP A 81 6.104 8.952 -6.915 1.00 0.00 O ATOM 1194 OD2 ASP A 81 7.922 9.122 -5.692 1.00 0.00 O ATOM 0 H ASP A 81 4.241 6.312 -4.086 1.00 0.00 H new ATOM 0 HA ASP A 81 6.069 8.387 -3.101 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.157 6.961 -4.622 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.738 6.782 -5.635 1.00 0.00 H new ATOM 1199 N ILE A 82 5.024 10.413 -4.103 1.00 0.00 N ATOM 1200 CA ILE A 82 4.307 11.612 -4.520 1.00 0.00 C ATOM 1201 C ILE A 82 5.144 12.445 -5.485 1.00 0.00 C ATOM 1202 O ILE A 82 4.620 13.300 -6.197 1.00 0.00 O ATOM 1203 CB ILE A 82 3.918 12.484 -3.312 1.00 0.00 C ATOM 1204 CG1 ILE A 82 5.141 12.751 -2.432 1.00 0.00 C ATOM 1205 CG2 ILE A 82 2.816 11.811 -2.506 1.00 0.00 C ATOM 1206 CD1 ILE A 82 4.941 13.881 -1.447 1.00 0.00 C ATOM 0 H ILE A 82 5.874 10.594 -3.569 1.00 0.00 H new ATOM 0 HA ILE A 82 3.400 11.278 -5.024 1.00 0.00 H new ATOM 0 HB ILE A 82 3.542 13.439 -3.679 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.390 11.842 -1.884 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.994 12.982 -3.070 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.552 12.439 -1.655 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.939 11.668 -3.137 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.167 10.843 -2.147 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.848 14.014 -0.857 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.722 14.801 -1.989 1.00 0.00 H new ATOM 0 HD13 ILE A 82 4.109 13.643 -0.785 1.00 0.00 H new ATOM 1218 N GLY A 83 6.448 12.186 -5.505 1.00 0.00 N ATOM 1219 CA GLY A 83 7.336 12.919 -6.388 1.00 0.00 C ATOM 1220 C GLY A 83 8.598 13.382 -5.687 1.00 0.00 C ATOM 1221 O GLY A 83 9.687 13.329 -6.258 1.00 0.00 O ATOM 0 H GLY A 83 6.905 11.482 -4.926 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.605 12.287 -7.234 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.810 13.784 -6.791 1.00 0.00 H new ATOM 1225 N GLN A 84 8.451 13.838 -4.447 1.00 0.00 N ATOM 1226 CA GLN A 84 9.589 14.315 -3.669 1.00 0.00 C ATOM 1227 C GLN A 84 9.889 13.371 -2.509 1.00 0.00 C ATOM 1228 O GLN A 84 11.048 13.137 -2.171 1.00 0.00 O ATOM 1229 CB GLN A 84 9.317 15.723 -3.138 1.00 0.00 C ATOM 1230 CG GLN A 84 8.979 16.729 -4.227 1.00 0.00 C ATOM 1231 CD GLN A 84 10.028 16.778 -5.321 1.00 0.00 C ATOM 1232 OE1 GLN A 84 10.064 15.919 -6.202 1.00 0.00 O ATOM 1233 NE2 GLN A 84 10.889 17.788 -5.271 1.00 0.00 N ATOM 0 H GLN A 84 7.556 13.887 -3.960 1.00 0.00 H new ATOM 0 HA GLN A 84 10.459 14.344 -4.325 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.493 15.681 -2.425 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.193 16.072 -2.592 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.014 16.474 -4.665 1.00 0.00 H new ATOM 0 HG3 GLN A 84 8.876 17.719 -3.783 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.823 18.478 -4.523 1.00 0.00 H new ATOM 0 HE22 GLN A 84 11.616 17.874 -5.981 1.00 0.00 H new ATOM 1242 N ALA A 85 8.835 12.831 -1.904 1.00 0.00 N ATOM 1243 CA ALA A 85 8.986 11.912 -0.784 1.00 0.00 C ATOM 1244 C ALA A 85 8.182 10.636 -1.008 1.00 0.00 C ATOM 1245 O ALA A 85 7.329 10.578 -1.893 1.00 0.00 O ATOM 1246 CB ALA A 85 8.561 12.585 0.513 1.00 0.00 C ATOM 0 H ALA A 85 7.868 13.015 -2.172 1.00 0.00 H new ATOM 0 HA ALA A 85 10.039 11.639 -0.711 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.679 11.886 1.341 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.182 13.463 0.688 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.517 12.888 0.440 1.00 0.00 H new ATOM 1252 N GLN A 86 8.460 9.616 -0.202 1.00 0.00 N ATOM 1253 CA GLN A 86 7.763 8.341 -0.315 1.00 0.00 C ATOM 1254 C GLN A 86 7.558 7.709 1.058 1.00 0.00 C ATOM 1255 O GLN A 86 8.465 7.702 1.890 1.00 0.00 O ATOM 1256 CB GLN A 86 8.545 7.386 -1.218 1.00 0.00 C ATOM 1257 CG GLN A 86 8.953 8.001 -2.546 1.00 0.00 C ATOM 1258 CD GLN A 86 10.137 8.939 -2.416 1.00 0.00 C ATOM 1259 OE1 GLN A 86 11.137 8.611 -1.777 1.00 0.00 O ATOM 1260 NE2 GLN A 86 10.030 10.116 -3.022 1.00 0.00 N ATOM 0 H GLN A 86 9.163 9.648 0.536 1.00 0.00 H new ATOM 0 HA GLN A 86 6.785 8.529 -0.758 1.00 0.00 H new ATOM 0 HB2 GLN A 86 9.439 7.052 -0.692 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.938 6.501 -1.408 1.00 0.00 H new ATOM 0 HG2 GLN A 86 9.200 7.206 -3.250 1.00 0.00 H new ATOM 0 HG3 GLN A 86 8.107 8.546 -2.965 1.00 0.00 H new ATOM 0 HE21 GLN A 86 9.183 10.347 -3.541 1.00 0.00 H new ATOM 0 HE22 GLN A 86 10.795 10.789 -2.968 1.00 0.00 H new ATOM 1269 N SER A 87 6.360 7.180 1.288 1.00 0.00 N ATOM 1270 CA SER A 87 6.035 6.550 2.561 1.00 0.00 C ATOM 1271 C SER A 87 6.147 5.031 2.460 1.00 0.00 C ATOM 1272 O SER A 87 6.316 4.482 1.372 1.00 0.00 O ATOM 1273 CB SER A 87 4.622 6.939 3.002 1.00 0.00 C ATOM 1274 OG SER A 87 4.305 6.372 4.261 1.00 0.00 O ATOM 0 H SER A 87 5.599 7.176 0.609 1.00 0.00 H new ATOM 0 HA SER A 87 6.750 6.902 3.304 1.00 0.00 H new ATOM 0 HB2 SER A 87 4.541 8.025 3.058 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.900 6.604 2.257 1.00 0.00 H new ATOM 0 HG SER A 87 4.171 7.087 4.918 1.00 0.00 H new ATOM 1280 N ARG A 88 6.053 4.360 3.604 1.00 0.00 N ATOM 1281 CA ARG A 88 6.146 2.906 3.645 1.00 0.00 C ATOM 1282 C ARG A 88 5.302 2.340 4.784 1.00 0.00 C ATOM 1283 O ARG A 88 5.252 2.908 5.874 1.00 0.00 O ATOM 1284 CB ARG A 88 7.603 2.471 3.811 1.00 0.00 C ATOM 1285 CG ARG A 88 8.368 2.391 2.500 1.00 0.00 C ATOM 1286 CD ARG A 88 9.570 1.468 2.611 1.00 0.00 C ATOM 1287 NE ARG A 88 10.591 1.775 1.612 1.00 0.00 N ATOM 1288 CZ ARG A 88 11.774 1.172 1.561 1.00 0.00 C ATOM 1289 NH1 ARG A 88 12.083 0.236 2.447 1.00 0.00 N ATOM 1290 NH2 ARG A 88 12.650 1.507 0.622 1.00 0.00 N ATOM 0 H ARG A 88 5.913 4.800 4.513 1.00 0.00 H new ATOM 0 HA ARG A 88 5.763 2.515 2.702 1.00 0.00 H new ATOM 0 HB2 ARG A 88 8.109 3.172 4.475 1.00 0.00 H new ATOM 0 HB3 ARG A 88 7.629 1.496 4.297 1.00 0.00 H new ATOM 0 HG2 ARG A 88 7.705 2.033 1.712 1.00 0.00 H new ATOM 0 HG3 ARG A 88 8.699 3.388 2.210 1.00 0.00 H new ATOM 0 HD2 ARG A 88 10.002 1.553 3.608 1.00 0.00 H new ATOM 0 HD3 ARG A 88 9.245 0.434 2.492 1.00 0.00 H new ATOM 0 HE ARG A 88 10.384 2.491 0.916 1.00 0.00 H new ATOM 0 HH11 ARG A 88 11.412 -0.023 3.170 1.00 0.00 H new ATOM 0 HH12 ARG A 88 12.992 -0.225 2.406 1.00 0.00 H new ATOM 0 HH21 ARG A 88 12.415 2.228 -0.061 1.00 0.00 H new ATOM 0 HH22 ARG A 88 13.558 1.044 0.583 1.00 0.00 H new ATOM 1304 N ALA A 89 4.641 1.217 4.522 1.00 0.00 N ATOM 1305 CA ALA A 89 3.802 0.573 5.525 1.00 0.00 C ATOM 1306 C ALA A 89 3.692 -0.926 5.269 1.00 0.00 C ATOM 1307 O ALA A 89 3.676 -1.369 4.121 1.00 0.00 O ATOM 1308 CB ALA A 89 2.420 1.210 5.543 1.00 0.00 C ATOM 0 H ALA A 89 4.670 0.735 3.624 1.00 0.00 H new ATOM 0 HA ALA A 89 4.269 0.715 6.500 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.803 0.720 6.296 1.00 0.00 H new ATOM 0 HB2 ALA A 89 2.511 2.270 5.782 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.955 1.097 4.564 1.00 0.00 H new ATOM 1314 N GLN A 90 3.618 -1.701 6.346 1.00 0.00 N ATOM 1315 CA GLN A 90 3.512 -3.151 6.237 1.00 0.00 C ATOM 1316 C GLN A 90 2.061 -3.602 6.367 1.00 0.00 C ATOM 1317 O GLN A 90 1.323 -3.116 7.226 1.00 0.00 O ATOM 1318 CB GLN A 90 4.367 -3.829 7.309 1.00 0.00 C ATOM 1319 CG GLN A 90 5.855 -3.548 7.168 1.00 0.00 C ATOM 1320 CD GLN A 90 6.705 -4.453 8.038 1.00 0.00 C ATOM 1321 OE1 GLN A 90 6.472 -4.573 9.242 1.00 0.00 O ATOM 1322 NE2 GLN A 90 7.697 -5.095 7.433 1.00 0.00 N ATOM 0 H GLN A 90 3.629 -1.349 7.303 1.00 0.00 H new ATOM 0 HA GLN A 90 3.878 -3.443 5.253 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.034 -3.496 8.292 1.00 0.00 H new ATOM 0 HB3 GLN A 90 4.203 -4.906 7.265 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.147 -3.673 6.125 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.051 -2.509 7.431 1.00 0.00 H new ATOM 0 HE21 GLN A 90 7.853 -4.966 6.433 1.00 0.00 H new ATOM 0 HE22 GLN A 90 8.303 -5.718 7.968 1.00 0.00 H new ATOM 1331 N LEU A 91 1.657 -4.534 5.511 1.00 0.00 N ATOM 1332 CA LEU A 91 0.293 -5.051 5.530 1.00 0.00 C ATOM 1333 C LEU A 91 0.264 -6.493 6.025 1.00 0.00 C ATOM 1334 O LEU A 91 1.185 -7.269 5.764 1.00 0.00 O ATOM 1335 CB LEU A 91 -0.325 -4.967 4.133 1.00 0.00 C ATOM 1336 CG LEU A 91 -1.516 -5.888 3.869 1.00 0.00 C ATOM 1337 CD1 LEU A 91 -2.786 -5.302 4.467 1.00 0.00 C ATOM 1338 CD2 LEU A 91 -1.687 -6.125 2.376 1.00 0.00 C ATOM 0 H LEU A 91 2.254 -4.947 4.795 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.292 -4.439 6.217 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.641 -3.939 3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.451 -5.190 3.401 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.322 -6.848 4.348 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.624 -5.971 4.269 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.661 -5.185 5.543 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.985 -4.329 4.017 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.540 -6.783 2.207 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.858 -5.173 1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.786 -6.589 1.976 1.00 0.00 H new ATOM 1350 N LEU A 92 -0.799 -6.847 6.738 1.00 0.00 N ATOM 1351 CA LEU A 92 -0.949 -8.198 7.269 1.00 0.00 C ATOM 1352 C LEU A 92 -2.232 -8.844 6.755 1.00 0.00 C ATOM 1353 O LEU A 92 -3.328 -8.319 6.955 1.00 0.00 O ATOM 1354 CB LEU A 92 -0.956 -8.169 8.798 1.00 0.00 C ATOM 1355 CG LEU A 92 -1.131 -9.519 9.494 1.00 0.00 C ATOM 1356 CD1 LEU A 92 -0.306 -10.590 8.797 1.00 0.00 C ATOM 1357 CD2 LEU A 92 -0.744 -9.417 10.962 1.00 0.00 C ATOM 0 H LEU A 92 -1.570 -6.218 6.962 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.102 -8.793 6.928 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.019 -7.727 9.137 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.758 -7.507 9.125 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.182 -9.803 9.435 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.443 -11.544 9.306 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.630 -10.682 7.761 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.748 -10.313 8.824 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.875 -10.387 11.441 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.299 -9.110 11.043 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.378 -8.680 11.455 1.00 0.00 H new ATOM 1369 N VAL A 93 -2.089 -9.989 6.095 1.00 0.00 N ATOM 1370 CA VAL A 93 -3.236 -10.710 5.556 1.00 0.00 C ATOM 1371 C VAL A 93 -3.546 -11.949 6.387 1.00 0.00 C ATOM 1372 O VAL A 93 -3.024 -13.032 6.123 1.00 0.00 O ATOM 1373 CB VAL A 93 -2.998 -11.131 4.094 1.00 0.00 C ATOM 1374 CG1 VAL A 93 -4.165 -11.961 3.580 1.00 0.00 C ATOM 1375 CG2 VAL A 93 -2.775 -9.909 3.216 1.00 0.00 C ATOM 0 H VAL A 93 -1.190 -10.437 5.921 1.00 0.00 H new ATOM 0 HA VAL A 93 -4.086 -10.028 5.596 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.100 -11.747 4.054 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.979 -12.249 2.545 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.272 -12.856 4.192 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.081 -11.373 3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.609 -10.226 2.187 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -3.653 -9.264 3.260 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.903 -9.359 3.572 1.00 0.00 H new ATOM 1385 N GLN A 94 -4.400 -11.783 7.392 1.00 0.00 N ATOM 1386 CA GLN A 94 -4.780 -12.889 8.262 1.00 0.00 C ATOM 1387 C GLN A 94 -5.576 -13.939 7.493 1.00 0.00 C ATOM 1388 O GLN A 94 -6.355 -13.609 6.600 1.00 0.00 O ATOM 1389 CB GLN A 94 -5.601 -12.376 9.446 1.00 0.00 C ATOM 1390 CG GLN A 94 -4.806 -11.504 10.405 1.00 0.00 C ATOM 1391 CD GLN A 94 -3.866 -12.307 11.282 1.00 0.00 C ATOM 1392 OE1 GLN A 94 -2.812 -12.757 10.833 1.00 0.00 O ATOM 1393 NE2 GLN A 94 -4.244 -12.490 12.542 1.00 0.00 N ATOM 0 H GLN A 94 -4.842 -10.893 7.624 1.00 0.00 H new ATOM 0 HA GLN A 94 -3.867 -13.353 8.636 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.450 -11.806 9.069 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -6.006 -13.227 9.993 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -4.231 -10.775 9.835 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.495 -10.943 11.036 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -5.126 -12.099 12.872 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -3.652 -13.022 13.180 1.00 0.00 H new