USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 432 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 1 THR N :NH3+ 138:sc= 0.283 (180deg=0.0174) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 4 GLN : amide:sc= -0.77 K(o=-0.77,f=-0.012) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -9.51! C(o=-9.5!,f=-14!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc=0.000232 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot -30:sc= -2.97! USER MOD Single : A 30 ASN : amide:sc= -0.388 X(o=-0.39,f=-0.086) USER MOD Single : A 33 ASN : amide:sc= -0.918 X(o=-0.92,f=-0.85) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 42 ASN : amide:sc= -3.09! C(o=-3.1!,f=-2.3!) USER MOD Single : A 45 LYS NZ :NH3+ 159:sc= -4.55! (180deg=-5.49!) USER MOD Single : A 46 ASN : amide:sc= -2.28! C(o=-2.3!,f=-5.8!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 HIS : no HE2:sc= -11! C(o=-11!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -7.494 23.866 -6.798 1.00 0.00 N ATOM 2 CA THR A 1 -6.387 23.359 -7.657 1.00 0.00 C ATOM 3 C THR A 1 -5.140 23.127 -6.799 1.00 0.00 C ATOM 4 O THR A 1 -4.194 23.888 -6.845 1.00 0.00 O ATOM 5 CB THR A 1 -6.069 24.387 -8.747 1.00 0.00 C ATOM 6 OG1 THR A 1 -7.271 25.020 -9.163 1.00 0.00 O ATOM 7 CG2 THR A 1 -5.420 23.683 -9.938 1.00 0.00 C ATOM 0 H1 THR A 1 -7.996 24.630 -7.294 1.00 0.00 H new ATOM 0 H2 THR A 1 -8.157 23.091 -6.593 1.00 0.00 H new ATOM 0 H3 THR A 1 -7.102 24.231 -5.906 1.00 0.00 H new ATOM 0 HA THR A 1 -6.691 22.421 -8.121 1.00 0.00 H new ATOM 0 HB THR A 1 -5.382 25.136 -8.353 1.00 0.00 H new ATOM 0 HG1 THR A 1 -7.069 25.679 -9.859 1.00 0.00 H new ATOM 0 HG21 THR A 1 -5.194 24.414 -10.714 1.00 0.00 H new ATOM 0 HG22 THR A 1 -4.498 23.198 -9.616 1.00 0.00 H new ATOM 0 HG23 THR A 1 -6.105 22.933 -10.335 1.00 0.00 H new ATOM 17 N ILE A 2 -5.130 22.082 -6.015 1.00 0.00 N ATOM 18 CA ILE A 2 -3.942 21.809 -5.157 1.00 0.00 C ATOM 19 C ILE A 2 -3.524 20.350 -5.293 1.00 0.00 C ATOM 20 O ILE A 2 -3.499 19.607 -4.331 1.00 0.00 O ATOM 21 CB ILE A 2 -4.280 22.100 -3.695 1.00 0.00 C ATOM 22 CG1 ILE A 2 -5.274 23.262 -3.619 1.00 0.00 C ATOM 23 CG2 ILE A 2 -3.002 22.475 -2.941 1.00 0.00 C ATOM 24 CD1 ILE A 2 -5.476 23.667 -2.157 1.00 0.00 C ATOM 0 H ILE A 2 -5.891 21.408 -5.932 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.123 22.452 -5.478 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.724 21.213 -3.243 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -4.903 24.110 -4.194 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -6.226 22.969 -4.061 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -3.242 22.683 -1.898 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -2.293 21.648 -2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -2.559 23.361 -3.395 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -6.184 24.494 -2.103 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -5.866 22.818 -1.595 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -4.522 23.977 -1.730 1.00 0.00 H new ATOM 36 N ASP A 3 -3.155 19.938 -6.474 1.00 0.00 N ATOM 37 CA ASP A 3 -2.696 18.536 -6.660 1.00 0.00 C ATOM 38 C ASP A 3 -1.199 18.482 -6.339 1.00 0.00 C ATOM 39 O ASP A 3 -0.507 17.544 -6.683 1.00 0.00 O ATOM 40 CB ASP A 3 -2.929 18.106 -8.110 1.00 0.00 C ATOM 41 CG ASP A 3 -4.394 18.344 -8.484 1.00 0.00 C ATOM 42 OD1 ASP A 3 -4.723 19.467 -8.829 1.00 0.00 O ATOM 43 OD2 ASP A 3 -5.163 17.398 -8.420 1.00 0.00 O ATOM 0 H ASP A 3 -3.152 20.512 -7.317 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.249 17.865 -6.003 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -2.276 18.669 -8.777 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.678 17.052 -8.233 1.00 0.00 H new ATOM 48 N GLN A 4 -0.699 19.501 -5.686 1.00 0.00 N ATOM 49 CA GLN A 4 0.742 19.552 -5.338 1.00 0.00 C ATOM 50 C GLN A 4 0.941 19.132 -3.877 1.00 0.00 C ATOM 51 O GLN A 4 1.987 19.352 -3.303 1.00 0.00 O ATOM 52 CB GLN A 4 1.227 20.992 -5.520 1.00 0.00 C ATOM 53 CG GLN A 4 2.578 20.996 -6.239 1.00 0.00 C ATOM 54 CD GLN A 4 3.179 22.402 -6.193 1.00 0.00 C ATOM 55 OE1 GLN A 4 3.726 22.873 -7.171 1.00 0.00 O ATOM 56 NE2 GLN A 4 3.105 23.097 -5.090 1.00 0.00 N ATOM 0 H GLN A 4 -1.241 20.308 -5.378 1.00 0.00 H new ATOM 0 HA GLN A 4 1.304 18.874 -5.980 1.00 0.00 H new ATOM 0 HB2 GLN A 4 0.497 21.562 -6.095 1.00 0.00 H new ATOM 0 HB3 GLN A 4 1.319 21.480 -4.550 1.00 0.00 H new ATOM 0 HG2 GLN A 4 3.255 20.284 -5.766 1.00 0.00 H new ATOM 0 HG3 GLN A 4 2.452 20.677 -7.274 1.00 0.00 H new ATOM 0 HE21 GLN A 4 2.646 22.703 -4.269 1.00 0.00 H new ATOM 0 HE22 GLN A 4 3.506 24.034 -5.050 1.00 0.00 H new ATOM 65 N TRP A 5 -0.056 18.538 -3.271 1.00 0.00 N ATOM 66 CA TRP A 5 0.073 18.112 -1.850 1.00 0.00 C ATOM 67 C TRP A 5 1.331 17.237 -1.684 1.00 0.00 C ATOM 68 O TRP A 5 2.434 17.739 -1.743 1.00 0.00 O ATOM 69 CB TRP A 5 -1.200 17.353 -1.452 1.00 0.00 C ATOM 70 CG TRP A 5 -1.451 17.529 0.008 1.00 0.00 C ATOM 71 CD1 TRP A 5 -2.217 18.506 0.540 1.00 0.00 C ATOM 72 CD2 TRP A 5 -0.957 16.735 1.126 1.00 0.00 C ATOM 73 NE1 TRP A 5 -2.229 18.365 1.916 1.00 0.00 N ATOM 74 CE2 TRP A 5 -1.466 17.287 2.326 1.00 0.00 C ATOM 75 CE3 TRP A 5 -0.126 15.602 1.215 1.00 0.00 C ATOM 76 CZ2 TRP A 5 -1.162 16.735 3.571 1.00 0.00 C ATOM 77 CZ3 TRP A 5 0.182 15.045 2.467 1.00 0.00 C ATOM 78 CH2 TRP A 5 -0.335 15.609 3.642 1.00 0.00 C ATOM 0 H TRP A 5 -0.956 18.330 -3.704 1.00 0.00 H new ATOM 0 HA TRP A 5 0.184 18.977 -1.196 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -2.050 17.723 -2.025 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -1.093 16.294 -1.688 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -2.735 19.272 -0.018 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -2.738 18.981 2.550 1.00 0.00 H new ATOM 0 HE3 TRP A 5 0.277 15.159 0.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.562 17.174 4.473 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 0.821 14.176 2.525 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -0.095 15.174 4.601 1.00 0.00 H new ATOM 89 N LEU A 6 1.189 15.944 -1.497 1.00 0.00 N ATOM 90 CA LEU A 6 2.399 15.064 -1.355 1.00 0.00 C ATOM 91 C LEU A 6 2.076 13.734 -0.647 1.00 0.00 C ATOM 92 O LEU A 6 2.975 13.070 -0.173 1.00 0.00 O ATOM 93 CB LEU A 6 3.500 15.784 -0.564 1.00 0.00 C ATOM 94 CG LEU A 6 2.893 16.506 0.639 1.00 0.00 C ATOM 95 CD1 LEU A 6 3.181 15.700 1.907 1.00 0.00 C ATOM 96 CD2 LEU A 6 3.518 17.899 0.766 1.00 0.00 C ATOM 0 H LEU A 6 0.293 15.461 -1.437 1.00 0.00 H new ATOM 0 HA LEU A 6 2.741 14.844 -2.366 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.247 15.065 -0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.013 16.499 -1.207 1.00 0.00 H new ATOM 0 HG LEU A 6 1.816 16.604 0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.750 16.211 2.768 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.740 14.708 1.815 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.259 15.607 2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.086 18.415 1.624 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.595 17.803 0.905 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.318 18.471 -0.140 1.00 0.00 H new ATOM 108 N LEU A 7 0.824 13.329 -0.594 1.00 0.00 N ATOM 109 CA LEU A 7 0.450 12.031 0.060 1.00 0.00 C ATOM 110 C LEU A 7 1.485 11.637 1.134 1.00 0.00 C ATOM 111 O LEU A 7 1.895 12.458 1.931 1.00 0.00 O ATOM 112 CB LEU A 7 0.362 10.968 -1.036 1.00 0.00 C ATOM 113 CG LEU A 7 -0.833 10.040 -0.784 1.00 0.00 C ATOM 114 CD1 LEU A 7 -0.856 8.947 -1.851 1.00 0.00 C ATOM 115 CD2 LEU A 7 -0.719 9.393 0.598 1.00 0.00 C ATOM 0 H LEU A 7 0.038 13.850 -0.981 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.510 12.126 0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.260 11.447 -2.010 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.283 10.386 -1.063 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.752 10.624 -0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.704 8.285 -1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.949 9.403 -2.837 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.069 8.372 -1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.573 8.737 0.764 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.201 8.811 0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.704 10.169 1.363 1.00 0.00 H new ATOM 127 N LYS A 8 1.911 10.396 1.169 1.00 0.00 N ATOM 128 CA LYS A 8 2.914 9.971 2.188 1.00 0.00 C ATOM 129 C LYS A 8 2.313 10.087 3.588 1.00 0.00 C ATOM 130 O LYS A 8 2.997 10.383 4.548 1.00 0.00 O ATOM 131 CB LYS A 8 4.162 10.848 2.089 1.00 0.00 C ATOM 132 CG LYS A 8 4.856 10.587 0.752 1.00 0.00 C ATOM 133 CD LYS A 8 6.374 10.577 0.954 1.00 0.00 C ATOM 134 CE LYS A 8 7.061 11.000 -0.347 1.00 0.00 C ATOM 135 NZ LYS A 8 7.557 12.399 -0.214 1.00 0.00 N ATOM 0 H LYS A 8 1.604 9.660 0.533 1.00 0.00 H new ATOM 0 HA LYS A 8 3.191 8.933 2.001 1.00 0.00 H new ATOM 0 HB2 LYS A 8 3.889 11.900 2.171 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.841 10.629 2.913 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.528 9.633 0.341 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.580 11.357 0.031 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.649 11.256 1.761 1.00 0.00 H new ATOM 0 HD3 LYS A 8 6.707 9.581 1.247 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.890 10.328 -0.568 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.362 10.928 -1.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.024 12.687 -1.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.756 13.034 -0.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.237 12.453 0.571 1.00 0.00 H new ATOM 149 N ASN A 9 1.040 9.842 3.712 1.00 0.00 N ATOM 150 CA ASN A 9 0.391 9.918 5.047 1.00 0.00 C ATOM 151 C ASN A 9 -0.399 8.629 5.276 1.00 0.00 C ATOM 152 O ASN A 9 -0.274 7.985 6.299 1.00 0.00 O ATOM 153 CB ASN A 9 -0.549 11.128 5.099 1.00 0.00 C ATOM 154 CG ASN A 9 -1.741 10.894 4.173 1.00 0.00 C ATOM 155 OD1 ASN A 9 -2.816 10.555 4.622 1.00 0.00 O ATOM 156 ND2 ASN A 9 -1.594 11.060 2.887 1.00 0.00 N ATOM 0 H ASN A 9 0.419 9.591 2.943 1.00 0.00 H new ATOM 0 HA ASN A 9 1.146 10.032 5.825 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -0.895 11.288 6.120 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -0.014 12.029 4.799 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -2.383 10.905 2.259 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -0.690 11.345 2.510 1.00 0.00 H new ATOM 163 N ALA A 10 -1.196 8.235 4.319 1.00 0.00 N ATOM 164 CA ALA A 10 -1.977 6.976 4.465 1.00 0.00 C ATOM 165 C ALA A 10 -1.082 5.787 4.109 1.00 0.00 C ATOM 166 O ALA A 10 -1.463 4.647 4.266 1.00 0.00 O ATOM 167 CB ALA A 10 -3.181 7.010 3.524 1.00 0.00 C ATOM 0 H ALA A 10 -1.339 8.733 3.441 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.326 6.877 5.493 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.753 6.088 3.631 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.815 7.861 3.774 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.836 7.105 2.495 1.00 0.00 H new ATOM 173 N LYS A 11 0.102 6.052 3.618 1.00 0.00 N ATOM 174 CA LYS A 11 1.031 4.948 3.235 1.00 0.00 C ATOM 175 C LYS A 11 0.929 3.789 4.234 1.00 0.00 C ATOM 176 O LYS A 11 0.848 2.640 3.852 1.00 0.00 O ATOM 177 CB LYS A 11 2.467 5.480 3.222 1.00 0.00 C ATOM 178 CG LYS A 11 3.041 5.376 1.807 1.00 0.00 C ATOM 179 CD LYS A 11 3.984 4.174 1.722 1.00 0.00 C ATOM 180 CE LYS A 11 5.434 4.650 1.820 1.00 0.00 C ATOM 181 NZ LYS A 11 5.856 4.671 3.250 1.00 0.00 N ATOM 0 H LYS A 11 0.467 6.992 3.465 1.00 0.00 H new ATOM 0 HA LYS A 11 0.757 4.584 2.245 1.00 0.00 H new ATOM 0 HB2 LYS A 11 2.484 6.517 3.557 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.083 4.910 3.918 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.233 5.269 1.083 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.577 6.290 1.553 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.767 3.471 2.526 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.828 3.643 0.783 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.084 3.988 1.248 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.531 5.645 1.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.842 4.995 3.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.242 5.319 3.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.778 3.714 3.649 1.00 0.00 H new ATOM 195 N GLU A 12 0.944 4.075 5.509 1.00 0.00 N ATOM 196 CA GLU A 12 0.861 2.974 6.516 1.00 0.00 C ATOM 197 C GLU A 12 -0.578 2.814 7.017 1.00 0.00 C ATOM 198 O GLU A 12 -0.952 1.776 7.523 1.00 0.00 O ATOM 199 CB GLU A 12 1.771 3.302 7.704 1.00 0.00 C ATOM 200 CG GLU A 12 3.191 3.585 7.207 1.00 0.00 C ATOM 201 CD GLU A 12 3.673 2.422 6.337 1.00 0.00 C ATOM 202 OE1 GLU A 12 3.873 1.347 6.877 1.00 0.00 O ATOM 203 OE2 GLU A 12 3.836 2.627 5.146 1.00 0.00 O ATOM 0 H GLU A 12 1.010 5.016 5.896 1.00 0.00 H new ATOM 0 HA GLU A 12 1.179 2.044 6.045 1.00 0.00 H new ATOM 0 HB2 GLU A 12 1.385 4.168 8.242 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.781 2.469 8.407 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.208 4.512 6.634 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.863 3.721 8.054 1.00 0.00 H new ATOM 210 N ASP A 13 -1.383 3.833 6.898 1.00 0.00 N ATOM 211 CA ASP A 13 -2.791 3.733 7.388 1.00 0.00 C ATOM 212 C ASP A 13 -3.543 2.629 6.637 1.00 0.00 C ATOM 213 O ASP A 13 -4.294 1.873 7.222 1.00 0.00 O ATOM 214 CB ASP A 13 -3.500 5.073 7.174 1.00 0.00 C ATOM 215 CG ASP A 13 -2.886 6.131 8.094 1.00 0.00 C ATOM 216 OD1 ASP A 13 -2.307 5.751 9.097 1.00 0.00 O ATOM 217 OD2 ASP A 13 -3.008 7.303 7.779 1.00 0.00 O ATOM 0 H ASP A 13 -1.130 4.730 6.484 1.00 0.00 H new ATOM 0 HA ASP A 13 -2.778 3.487 8.450 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.407 5.383 6.133 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -4.565 4.970 7.382 1.00 0.00 H new ATOM 222 N ALA A 14 -3.359 2.531 5.350 1.00 0.00 N ATOM 223 CA ALA A 14 -4.072 1.480 4.568 1.00 0.00 C ATOM 224 C ALA A 14 -3.284 0.172 4.616 1.00 0.00 C ATOM 225 O ALA A 14 -3.842 -0.900 4.728 1.00 0.00 O ATOM 226 CB ALA A 14 -4.185 1.929 3.116 1.00 0.00 C ATOM 0 H ALA A 14 -2.744 3.134 4.804 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.063 1.326 4.996 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.705 1.165 2.538 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -4.743 2.864 3.067 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.188 2.079 2.703 1.00 0.00 H new ATOM 232 N ILE A 15 -1.990 0.261 4.521 1.00 0.00 N ATOM 233 CA ILE A 15 -1.140 -0.962 4.549 1.00 0.00 C ATOM 234 C ILE A 15 -1.328 -1.694 5.880 1.00 0.00 C ATOM 235 O ILE A 15 -1.128 -2.888 5.983 1.00 0.00 O ATOM 236 CB ILE A 15 0.322 -0.531 4.449 1.00 0.00 C ATOM 237 CG1 ILE A 15 0.626 -0.025 3.039 1.00 0.00 C ATOM 238 CG2 ILE A 15 1.233 -1.712 4.780 1.00 0.00 C ATOM 239 CD1 ILE A 15 2.046 0.538 3.001 1.00 0.00 C ATOM 0 H ILE A 15 -1.477 1.138 4.424 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.417 -1.618 3.724 1.00 0.00 H new ATOM 0 HB ILE A 15 0.502 0.274 5.161 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.525 -0.837 2.319 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.091 0.745 2.754 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.275 -1.400 4.707 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.028 -2.057 5.793 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.048 -2.523 4.076 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.267 0.900 1.997 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.130 1.361 3.710 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.755 -0.245 3.269 1.00 0.00 H new ATOM 251 N ALA A 16 -1.677 -0.971 6.901 1.00 0.00 N ATOM 252 CA ALA A 16 -1.847 -1.596 8.249 1.00 0.00 C ATOM 253 C ALA A 16 -3.011 -2.589 8.243 1.00 0.00 C ATOM 254 O ALA A 16 -3.240 -3.291 9.207 1.00 0.00 O ATOM 255 CB ALA A 16 -2.126 -0.507 9.285 1.00 0.00 C ATOM 0 H ALA A 16 -1.854 0.033 6.866 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.930 -2.128 8.501 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.250 -0.963 10.267 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.290 0.192 9.312 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.037 0.027 9.015 1.00 0.00 H new ATOM 261 N GLU A 17 -3.753 -2.651 7.178 1.00 0.00 N ATOM 262 CA GLU A 17 -4.900 -3.594 7.135 1.00 0.00 C ATOM 263 C GLU A 17 -4.585 -4.740 6.165 1.00 0.00 C ATOM 264 O GLU A 17 -5.310 -5.712 6.079 1.00 0.00 O ATOM 265 CB GLU A 17 -6.160 -2.818 6.709 1.00 0.00 C ATOM 266 CG GLU A 17 -6.453 -3.009 5.216 1.00 0.00 C ATOM 267 CD GLU A 17 -7.799 -2.363 4.877 1.00 0.00 C ATOM 268 OE1 GLU A 17 -8.493 -1.968 5.799 1.00 0.00 O ATOM 269 OE2 GLU A 17 -8.112 -2.275 3.702 1.00 0.00 O ATOM 0 H GLU A 17 -3.616 -2.091 6.337 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.078 -4.031 8.117 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.014 -3.156 7.296 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.026 -1.758 6.923 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.660 -2.560 4.618 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.474 -4.071 4.971 1.00 0.00 H new ATOM 276 N LEU A 18 -3.509 -4.632 5.433 1.00 0.00 N ATOM 277 CA LEU A 18 -3.150 -5.714 4.473 1.00 0.00 C ATOM 278 C LEU A 18 -2.056 -6.606 5.069 1.00 0.00 C ATOM 279 O LEU A 18 -2.137 -7.817 5.021 1.00 0.00 O ATOM 280 CB LEU A 18 -2.641 -5.098 3.169 1.00 0.00 C ATOM 281 CG LEU A 18 -2.426 -6.213 2.144 1.00 0.00 C ATOM 282 CD1 LEU A 18 -3.400 -6.035 0.978 1.00 0.00 C ATOM 283 CD2 LEU A 18 -0.990 -6.160 1.622 1.00 0.00 C ATOM 0 H LEU A 18 -2.864 -3.842 5.459 1.00 0.00 H new ATOM 0 HA LEU A 18 -4.037 -6.316 4.274 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.359 -4.371 2.790 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.708 -4.562 3.344 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.604 -7.178 2.619 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.245 -6.831 0.249 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.424 -6.078 1.349 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.227 -5.069 0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.839 -6.955 0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.810 -5.194 1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.296 -6.293 2.452 1.00 0.00 H new ATOM 295 N LYS A 19 -1.029 -6.020 5.621 1.00 0.00 N ATOM 296 CA LYS A 19 0.072 -6.838 6.209 1.00 0.00 C ATOM 297 C LYS A 19 -0.504 -7.855 7.197 1.00 0.00 C ATOM 298 O LYS A 19 -0.064 -8.985 7.266 1.00 0.00 O ATOM 299 CB LYS A 19 1.051 -5.918 6.942 1.00 0.00 C ATOM 300 CG LYS A 19 2.336 -6.686 7.260 1.00 0.00 C ATOM 301 CD LYS A 19 3.062 -6.008 8.424 1.00 0.00 C ATOM 302 CE LYS A 19 3.857 -4.809 7.901 1.00 0.00 C ATOM 303 NZ LYS A 19 4.622 -4.192 9.023 1.00 0.00 N ATOM 0 H LYS A 19 -0.904 -5.010 5.691 1.00 0.00 H new ATOM 0 HA LYS A 19 0.591 -7.368 5.410 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.278 -5.048 6.326 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.599 -5.548 7.862 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.101 -7.719 7.517 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.982 -6.715 6.382 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.342 -5.681 9.175 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.731 -6.717 8.912 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.540 -5.127 7.113 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.182 -4.076 7.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.162 -3.377 8.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.961 -3.874 9.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.277 -4.894 9.424 1.00 0.00 H new ATOM 317 N LYS A 20 -1.483 -7.463 7.965 1.00 0.00 N ATOM 318 CA LYS A 20 -2.080 -8.408 8.950 1.00 0.00 C ATOM 319 C LYS A 20 -2.796 -9.539 8.208 1.00 0.00 C ATOM 320 O LYS A 20 -2.860 -10.659 8.678 1.00 0.00 O ATOM 321 CB LYS A 20 -3.079 -7.658 9.832 1.00 0.00 C ATOM 322 CG LYS A 20 -4.325 -7.313 9.018 1.00 0.00 C ATOM 323 CD LYS A 20 -5.392 -8.384 9.245 1.00 0.00 C ATOM 324 CE LYS A 20 -6.347 -7.923 10.347 1.00 0.00 C ATOM 325 NZ LYS A 20 -7.702 -7.696 9.770 1.00 0.00 N ATOM 0 H LYS A 20 -1.895 -6.530 7.953 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.292 -8.830 9.573 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.352 -8.271 10.691 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.623 -6.748 10.221 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.707 -6.336 9.313 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.075 -7.251 7.959 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.944 -8.565 8.322 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.923 -9.327 9.526 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.397 -8.673 11.136 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.976 -7.005 10.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.351 -7.383 10.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.647 -6.965 9.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.055 -8.582 9.355 1.00 0.00 H new ATOM 339 N ALA A 21 -3.331 -9.260 7.050 1.00 0.00 N ATOM 340 CA ALA A 21 -4.035 -10.324 6.280 1.00 0.00 C ATOM 341 C ALA A 21 -3.046 -11.440 5.943 1.00 0.00 C ATOM 342 O ALA A 21 -3.314 -12.606 6.154 1.00 0.00 O ATOM 343 CB ALA A 21 -4.598 -9.733 4.986 1.00 0.00 C ATOM 0 H ALA A 21 -3.311 -8.342 6.605 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.853 -10.727 6.878 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.113 -10.512 4.424 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.300 -8.935 5.226 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.783 -9.330 4.385 1.00 0.00 H new ATOM 349 N GLY A 22 -1.901 -11.092 5.419 1.00 0.00 N ATOM 350 CA GLY A 22 -0.895 -12.133 5.071 1.00 0.00 C ATOM 351 C GLY A 22 -0.308 -11.840 3.688 1.00 0.00 C ATOM 352 O GLY A 22 0.645 -12.463 3.264 1.00 0.00 O ATOM 0 H GLY A 22 -1.620 -10.132 5.218 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.101 -12.150 5.818 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.360 -13.119 5.078 1.00 0.00 H new ATOM 356 N ILE A 23 -0.868 -10.896 2.981 1.00 0.00 N ATOM 357 CA ILE A 23 -0.339 -10.567 1.625 1.00 0.00 C ATOM 358 C ILE A 23 0.967 -9.781 1.763 1.00 0.00 C ATOM 359 O ILE A 23 1.012 -8.739 2.386 1.00 0.00 O ATOM 360 CB ILE A 23 -1.361 -9.721 0.867 1.00 0.00 C ATOM 361 CG1 ILE A 23 -2.721 -10.420 0.895 1.00 0.00 C ATOM 362 CG2 ILE A 23 -0.906 -9.551 -0.584 1.00 0.00 C ATOM 363 CD1 ILE A 23 -3.759 -9.550 0.184 1.00 0.00 C ATOM 0 H ILE A 23 -1.667 -10.339 3.282 1.00 0.00 H new ATOM 0 HA ILE A 23 -0.154 -11.491 1.077 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.445 -8.742 1.339 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.652 -11.393 0.408 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.027 -10.601 1.925 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.635 -8.948 -1.125 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.064 -9.054 -0.605 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.823 -10.530 -1.056 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.728 -10.049 0.205 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.836 -8.588 0.691 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.454 -9.392 -0.851 1.00 0.00 H new ATOM 375 N THR A 24 2.027 -10.272 1.183 1.00 0.00 N ATOM 376 CA THR A 24 3.329 -9.552 1.279 1.00 0.00 C ATOM 377 C THR A 24 3.786 -9.138 -0.121 1.00 0.00 C ATOM 378 O THR A 24 4.944 -8.852 -0.348 1.00 0.00 O ATOM 379 CB THR A 24 4.374 -10.477 1.908 1.00 0.00 C ATOM 380 OG1 THR A 24 4.098 -11.821 1.537 1.00 0.00 O ATOM 381 CG2 THR A 24 4.325 -10.345 3.432 1.00 0.00 C ATOM 0 H THR A 24 2.049 -11.140 0.647 1.00 0.00 H new ATOM 0 HA THR A 24 3.211 -8.663 1.898 1.00 0.00 H new ATOM 0 HB THR A 24 5.367 -10.198 1.554 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.767 -12.415 1.937 1.00 0.00 H new ATOM 0 HG21 THR A 24 5.070 -11.004 3.878 1.00 0.00 H new ATOM 0 HG22 THR A 24 4.537 -9.314 3.715 1.00 0.00 H new ATOM 0 HG23 THR A 24 3.334 -10.623 3.790 1.00 0.00 H new ATOM 389 N SER A 25 2.882 -9.103 -1.062 1.00 0.00 N ATOM 390 CA SER A 25 3.262 -8.707 -2.446 1.00 0.00 C ATOM 391 C SER A 25 3.707 -7.242 -2.455 1.00 0.00 C ATOM 392 O SER A 25 2.966 -6.356 -2.081 1.00 0.00 O ATOM 393 CB SER A 25 2.057 -8.881 -3.373 1.00 0.00 C ATOM 394 OG SER A 25 2.181 -10.107 -4.082 1.00 0.00 O ATOM 0 H SER A 25 1.897 -9.332 -0.931 1.00 0.00 H new ATOM 0 HA SER A 25 4.082 -9.336 -2.793 1.00 0.00 H new ATOM 0 HB2 SER A 25 1.134 -8.875 -2.793 1.00 0.00 H new ATOM 0 HB3 SER A 25 1.999 -8.047 -4.073 1.00 0.00 H new ATOM 0 HG SER A 25 1.409 -10.221 -4.675 1.00 0.00 H new ATOM 400 N ASP A 26 4.914 -6.981 -2.881 1.00 0.00 N ATOM 401 CA ASP A 26 5.406 -5.573 -2.917 1.00 0.00 C ATOM 402 C ASP A 26 4.749 -4.829 -4.083 1.00 0.00 C ATOM 403 O ASP A 26 4.978 -3.655 -4.291 1.00 0.00 O ATOM 404 CB ASP A 26 6.925 -5.570 -3.103 1.00 0.00 C ATOM 405 CG ASP A 26 7.580 -4.807 -1.951 1.00 0.00 C ATOM 406 OD1 ASP A 26 7.116 -3.721 -1.646 1.00 0.00 O ATOM 407 OD2 ASP A 26 8.535 -5.322 -1.393 1.00 0.00 O ATOM 0 H ASP A 26 5.580 -7.682 -3.206 1.00 0.00 H new ATOM 0 HA ASP A 26 5.151 -5.076 -1.981 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.300 -6.593 -3.135 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.184 -5.106 -4.054 1.00 0.00 H new ATOM 412 N PHE A 27 3.933 -5.506 -4.847 1.00 0.00 N ATOM 413 CA PHE A 27 3.261 -4.843 -6.000 1.00 0.00 C ATOM 414 C PHE A 27 2.112 -3.975 -5.481 1.00 0.00 C ATOM 415 O PHE A 27 1.590 -3.131 -6.183 1.00 0.00 O ATOM 416 CB PHE A 27 2.731 -5.931 -6.951 1.00 0.00 C ATOM 417 CG PHE A 27 1.538 -5.434 -7.742 1.00 0.00 C ATOM 418 CD1 PHE A 27 1.694 -4.405 -8.678 1.00 0.00 C ATOM 419 CD2 PHE A 27 0.276 -6.015 -7.545 1.00 0.00 C ATOM 420 CE1 PHE A 27 0.591 -3.955 -9.416 1.00 0.00 C ATOM 421 CE2 PHE A 27 -0.827 -5.567 -8.286 1.00 0.00 C ATOM 422 CZ PHE A 27 -0.669 -4.537 -9.220 1.00 0.00 C ATOM 0 H PHE A 27 3.703 -6.492 -4.721 1.00 0.00 H new ATOM 0 HA PHE A 27 3.962 -4.206 -6.539 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.523 -6.237 -7.635 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.448 -6.813 -6.377 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.665 -3.958 -8.831 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.154 -6.808 -6.822 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.712 -3.159 -10.136 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -1.798 -6.016 -8.136 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.518 -4.190 -9.790 1.00 0.00 H new ATOM 432 N TYR A 28 1.720 -4.176 -4.256 1.00 0.00 N ATOM 433 CA TYR A 28 0.610 -3.366 -3.686 1.00 0.00 C ATOM 434 C TYR A 28 1.190 -2.324 -2.738 1.00 0.00 C ATOM 435 O TYR A 28 0.690 -1.222 -2.625 1.00 0.00 O ATOM 436 CB TYR A 28 -0.352 -4.292 -2.945 1.00 0.00 C ATOM 437 CG TYR A 28 -0.967 -5.213 -3.958 1.00 0.00 C ATOM 438 CD1 TYR A 28 -1.780 -4.684 -4.962 1.00 0.00 C ATOM 439 CD2 TYR A 28 -0.707 -6.587 -3.913 1.00 0.00 C ATOM 440 CE1 TYR A 28 -2.337 -5.526 -5.926 1.00 0.00 C ATOM 441 CE2 TYR A 28 -1.269 -7.436 -4.874 1.00 0.00 C ATOM 442 CZ TYR A 28 -2.083 -6.903 -5.885 1.00 0.00 C ATOM 443 OH TYR A 28 -2.623 -7.731 -6.845 1.00 0.00 O ATOM 0 H TYR A 28 2.121 -4.868 -3.623 1.00 0.00 H new ATOM 0 HA TYR A 28 0.066 -2.854 -4.480 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.177 -4.862 -2.181 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.123 -3.714 -2.435 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.978 -3.623 -4.993 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.074 -6.992 -3.138 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -2.964 -5.116 -6.704 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -1.077 -8.498 -4.837 1.00 0.00 H new ATOM 0 HH TYR A 28 -3.474 -7.359 -7.157 1.00 0.00 H new ATOM 453 N PHE A 29 2.254 -2.656 -2.069 1.00 0.00 N ATOM 454 CA PHE A 29 2.879 -1.677 -1.144 1.00 0.00 C ATOM 455 C PHE A 29 3.551 -0.579 -1.969 1.00 0.00 C ATOM 456 O PHE A 29 3.388 0.596 -1.710 1.00 0.00 O ATOM 457 CB PHE A 29 3.927 -2.385 -0.286 1.00 0.00 C ATOM 458 CG PHE A 29 3.248 -3.187 0.802 1.00 0.00 C ATOM 459 CD1 PHE A 29 2.116 -2.679 1.454 1.00 0.00 C ATOM 460 CD2 PHE A 29 3.755 -4.443 1.159 1.00 0.00 C ATOM 461 CE1 PHE A 29 1.494 -3.430 2.460 1.00 0.00 C ATOM 462 CE2 PHE A 29 3.131 -5.192 2.165 1.00 0.00 C ATOM 463 CZ PHE A 29 2.001 -4.685 2.814 1.00 0.00 C ATOM 0 H PHE A 29 2.718 -3.563 -2.123 1.00 0.00 H new ATOM 0 HA PHE A 29 2.119 -1.241 -0.496 1.00 0.00 H new ATOM 0 HB2 PHE A 29 4.535 -3.042 -0.908 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.601 -1.652 0.158 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.724 -1.710 1.181 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.628 -4.834 0.658 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.622 -3.039 2.963 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.522 -6.160 2.439 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.519 -5.263 3.589 1.00 0.00 H new ATOM 473 N ASN A 30 4.306 -0.957 -2.964 1.00 0.00 N ATOM 474 CA ASN A 30 4.988 0.060 -3.812 1.00 0.00 C ATOM 475 C ASN A 30 3.941 0.944 -4.494 1.00 0.00 C ATOM 476 O ASN A 30 4.181 2.100 -4.779 1.00 0.00 O ATOM 477 CB ASN A 30 5.823 -0.645 -4.882 1.00 0.00 C ATOM 478 CG ASN A 30 7.256 -0.114 -4.841 1.00 0.00 C ATOM 479 OD1 ASN A 30 8.201 -0.862 -5.000 1.00 0.00 O ATOM 480 ND2 ASN A 30 7.459 1.158 -4.634 1.00 0.00 N ATOM 0 H ASN A 30 4.480 -1.927 -3.226 1.00 0.00 H new ATOM 0 HA ASN A 30 5.635 0.675 -3.187 1.00 0.00 H new ATOM 0 HB2 ASN A 30 5.818 -1.722 -4.712 1.00 0.00 H new ATOM 0 HB3 ASN A 30 5.389 -0.476 -5.867 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.410 1.525 -4.606 1.00 0.00 H new ATOM 0 HD22 ASN A 30 6.666 1.786 -4.501 1.00 0.00 H new ATOM 487 N ALA A 31 2.783 0.408 -4.760 1.00 0.00 N ATOM 488 CA ALA A 31 1.726 1.217 -5.426 1.00 0.00 C ATOM 489 C ALA A 31 1.076 2.148 -4.402 1.00 0.00 C ATOM 490 O ALA A 31 0.501 3.162 -4.749 1.00 0.00 O ATOM 491 CB ALA A 31 0.667 0.283 -6.019 1.00 0.00 C ATOM 0 H ALA A 31 2.523 -0.555 -4.545 1.00 0.00 H new ATOM 0 HA ALA A 31 2.170 1.812 -6.224 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.108 0.875 -6.507 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.133 -0.378 -6.750 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.221 -0.313 -5.223 1.00 0.00 H new ATOM 497 N ILE A 32 1.167 1.817 -3.142 1.00 0.00 N ATOM 498 CA ILE A 32 0.556 2.689 -2.100 1.00 0.00 C ATOM 499 C ILE A 32 1.288 4.041 -2.089 1.00 0.00 C ATOM 500 O ILE A 32 0.676 5.084 -1.989 1.00 0.00 O ATOM 501 CB ILE A 32 0.651 1.987 -0.724 1.00 0.00 C ATOM 502 CG1 ILE A 32 -0.712 1.385 -0.378 1.00 0.00 C ATOM 503 CG2 ILE A 32 1.045 2.979 0.380 1.00 0.00 C ATOM 504 CD1 ILE A 32 -0.985 0.182 -1.283 1.00 0.00 C ATOM 0 H ILE A 32 1.637 0.983 -2.791 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.497 2.866 -2.319 1.00 0.00 H new ATOM 0 HB ILE A 32 1.415 1.212 -0.786 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.731 1.078 0.668 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.494 2.133 -0.505 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.104 2.456 1.335 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.015 3.417 0.146 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.296 3.768 0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.956 -0.246 -1.036 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.984 0.503 -2.325 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.209 -0.569 -1.134 1.00 0.00 H new ATOM 516 N ASN A 33 2.590 4.028 -2.184 1.00 0.00 N ATOM 517 CA ASN A 33 3.350 5.314 -2.173 1.00 0.00 C ATOM 518 C ASN A 33 3.320 5.959 -3.563 1.00 0.00 C ATOM 519 O ASN A 33 4.002 6.932 -3.816 1.00 0.00 O ATOM 520 CB ASN A 33 4.801 5.042 -1.772 1.00 0.00 C ATOM 521 CG ASN A 33 5.602 6.345 -1.831 1.00 0.00 C ATOM 522 OD1 ASN A 33 5.402 7.232 -1.024 1.00 0.00 O ATOM 523 ND2 ASN A 33 6.507 6.501 -2.758 1.00 0.00 N ATOM 0 H ASN A 33 3.160 3.186 -2.269 1.00 0.00 H new ATOM 0 HA ASN A 33 2.888 5.993 -1.456 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.839 4.625 -0.766 1.00 0.00 H new ATOM 0 HB3 ASN A 33 5.241 4.302 -2.440 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.045 7.366 -2.805 1.00 0.00 H new ATOM 0 HD22 ASN A 33 6.676 5.758 -3.436 1.00 0.00 H new ATOM 530 N LYS A 34 2.543 5.429 -4.467 1.00 0.00 N ATOM 531 CA LYS A 34 2.487 6.021 -5.835 1.00 0.00 C ATOM 532 C LYS A 34 1.051 6.427 -6.172 1.00 0.00 C ATOM 533 O LYS A 34 0.806 7.147 -7.119 1.00 0.00 O ATOM 534 CB LYS A 34 2.973 4.989 -6.852 1.00 0.00 C ATOM 535 CG LYS A 34 4.429 5.278 -7.216 1.00 0.00 C ATOM 536 CD LYS A 34 5.244 3.989 -7.116 1.00 0.00 C ATOM 537 CE LYS A 34 6.728 4.339 -6.998 1.00 0.00 C ATOM 538 NZ LYS A 34 7.315 4.468 -8.360 1.00 0.00 N ATOM 0 H LYS A 34 1.946 4.615 -4.319 1.00 0.00 H new ATOM 0 HA LYS A 34 3.125 6.904 -5.869 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.883 3.985 -6.438 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.350 5.022 -7.746 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.489 5.682 -8.227 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.840 6.034 -6.546 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.925 3.409 -6.250 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.074 3.368 -7.995 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.850 5.272 -6.447 1.00 0.00 H new ATOM 0 HE3 LYS A 34 7.252 3.566 -6.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.324 4.706 -8.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 7.210 3.568 -8.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.821 5.221 -8.881 1.00 0.00 H new ATOM 552 N ALA A 35 0.101 5.959 -5.412 1.00 0.00 N ATOM 553 CA ALA A 35 -1.327 6.301 -5.684 1.00 0.00 C ATOM 554 C ALA A 35 -1.487 7.813 -5.913 1.00 0.00 C ATOM 555 O ALA A 35 -1.185 8.321 -6.975 1.00 0.00 O ATOM 556 CB ALA A 35 -2.185 5.863 -4.495 1.00 0.00 C ATOM 0 H ALA A 35 0.252 5.350 -4.608 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.651 5.780 -6.585 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.229 6.111 -4.689 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.088 4.787 -4.353 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.851 6.379 -3.595 1.00 0.00 H new ATOM 562 N LYS A 36 -1.972 8.538 -4.937 1.00 0.00 N ATOM 563 CA LYS A 36 -2.158 10.005 -5.122 1.00 0.00 C ATOM 564 C LYS A 36 -2.521 10.649 -3.781 1.00 0.00 C ATOM 565 O LYS A 36 -1.750 11.393 -3.210 1.00 0.00 O ATOM 566 CB LYS A 36 -3.292 10.249 -6.124 1.00 0.00 C ATOM 567 CG LYS A 36 -2.966 11.468 -6.990 1.00 0.00 C ATOM 568 CD LYS A 36 -4.081 11.676 -8.019 1.00 0.00 C ATOM 569 CE LYS A 36 -4.293 13.173 -8.255 1.00 0.00 C ATOM 570 NZ LYS A 36 -4.181 13.471 -9.712 1.00 0.00 N ATOM 0 H LYS A 36 -2.246 8.177 -4.023 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.234 10.444 -5.498 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.428 9.370 -6.754 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.230 10.409 -5.593 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.864 12.355 -6.365 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.012 11.323 -7.496 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.821 11.184 -8.956 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.005 11.219 -7.665 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.274 13.474 -7.886 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.553 13.748 -7.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.325 14.489 -9.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.236 13.199 -10.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.903 12.934 -10.233 1.00 0.00 H new ATOM 584 N THR A 37 -3.692 10.366 -3.275 1.00 0.00 N ATOM 585 CA THR A 37 -4.105 10.964 -1.974 1.00 0.00 C ATOM 586 C THR A 37 -4.462 9.846 -0.991 1.00 0.00 C ATOM 587 O THR A 37 -4.186 8.688 -1.228 1.00 0.00 O ATOM 588 CB THR A 37 -5.328 11.859 -2.192 1.00 0.00 C ATOM 589 OG1 THR A 37 -6.327 11.127 -2.889 1.00 0.00 O ATOM 590 CG2 THR A 37 -4.927 13.086 -3.013 1.00 0.00 C ATOM 0 H THR A 37 -4.379 9.747 -3.706 1.00 0.00 H new ATOM 0 HA THR A 37 -3.286 11.558 -1.569 1.00 0.00 H new ATOM 0 HB THR A 37 -5.718 12.183 -1.227 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.112 11.697 -3.029 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.799 13.722 -3.167 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.159 13.646 -2.479 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.536 12.766 -3.979 1.00 0.00 H new ATOM 598 N VAL A 38 -5.076 10.182 0.111 1.00 0.00 N ATOM 599 CA VAL A 38 -5.449 9.135 1.102 1.00 0.00 C ATOM 600 C VAL A 38 -6.482 8.197 0.483 1.00 0.00 C ATOM 601 O VAL A 38 -6.311 6.998 0.461 1.00 0.00 O ATOM 602 CB VAL A 38 -6.042 9.788 2.351 1.00 0.00 C ATOM 603 CG1 VAL A 38 -6.268 8.718 3.422 1.00 0.00 C ATOM 604 CG2 VAL A 38 -5.074 10.844 2.885 1.00 0.00 C ATOM 0 H VAL A 38 -5.335 11.135 0.367 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.559 8.571 1.380 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.991 10.261 2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.691 9.180 4.314 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.957 7.963 3.043 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.317 8.248 3.673 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.498 11.309 3.775 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.125 10.372 3.139 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.909 11.605 2.122 1.00 0.00 H new ATOM 614 N GLU A 39 -7.552 8.734 -0.017 1.00 0.00 N ATOM 615 CA GLU A 39 -8.599 7.871 -0.634 1.00 0.00 C ATOM 616 C GLU A 39 -7.957 6.964 -1.688 1.00 0.00 C ATOM 617 O GLU A 39 -8.435 5.881 -1.961 1.00 0.00 O ATOM 618 CB GLU A 39 -9.666 8.750 -1.295 1.00 0.00 C ATOM 619 CG GLU A 39 -9.004 9.663 -2.330 1.00 0.00 C ATOM 620 CD GLU A 39 -10.077 10.290 -3.223 1.00 0.00 C ATOM 621 OE1 GLU A 39 -11.051 10.789 -2.683 1.00 0.00 O ATOM 622 OE2 GLU A 39 -9.906 10.262 -4.430 1.00 0.00 O ATOM 0 H GLU A 39 -7.752 9.734 -0.027 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.064 7.258 0.138 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.421 8.126 -1.774 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.178 9.348 -0.541 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.432 10.444 -1.828 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.300 9.092 -2.936 1.00 0.00 H new ATOM 629 N GLU A 40 -6.871 7.391 -2.275 1.00 0.00 N ATOM 630 CA GLU A 40 -6.200 6.543 -3.300 1.00 0.00 C ATOM 631 C GLU A 40 -5.341 5.493 -2.593 1.00 0.00 C ATOM 632 O GLU A 40 -5.186 4.382 -3.062 1.00 0.00 O ATOM 633 CB GLU A 40 -5.317 7.415 -4.196 1.00 0.00 C ATOM 634 CG GLU A 40 -6.188 8.438 -4.929 1.00 0.00 C ATOM 635 CD GLU A 40 -6.188 8.126 -6.427 1.00 0.00 C ATOM 636 OE1 GLU A 40 -6.484 6.996 -6.776 1.00 0.00 O ATOM 637 OE2 GLU A 40 -5.888 9.023 -7.198 1.00 0.00 O ATOM 0 H GLU A 40 -6.421 8.288 -2.089 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.951 6.049 -3.916 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.564 7.926 -3.596 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.784 6.793 -4.915 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.206 8.410 -4.541 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -5.809 9.445 -4.756 1.00 0.00 H new ATOM 644 N VAL A 41 -4.789 5.836 -1.464 1.00 0.00 N ATOM 645 CA VAL A 41 -3.947 4.861 -0.716 1.00 0.00 C ATOM 646 C VAL A 41 -4.848 3.769 -0.135 1.00 0.00 C ATOM 647 O VAL A 41 -4.735 2.608 -0.475 1.00 0.00 O ATOM 648 CB VAL A 41 -3.220 5.586 0.422 1.00 0.00 C ATOM 649 CG1 VAL A 41 -2.165 4.663 1.033 1.00 0.00 C ATOM 650 CG2 VAL A 41 -2.540 6.842 -0.131 1.00 0.00 C ATOM 0 H VAL A 41 -4.884 6.752 -1.025 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.213 4.414 -1.386 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.940 5.866 1.191 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.651 5.183 1.841 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.648 3.768 1.426 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.443 4.379 0.268 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.022 7.360 0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.822 6.558 -0.900 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.292 7.503 -0.563 1.00 0.00 H new ATOM 660 N ASN A 42 -5.749 4.140 0.733 1.00 0.00 N ATOM 661 CA ASN A 42 -6.672 3.142 1.338 1.00 0.00 C ATOM 662 C ASN A 42 -7.438 2.416 0.233 1.00 0.00 C ATOM 663 O ASN A 42 -7.785 1.259 0.361 1.00 0.00 O ATOM 664 CB ASN A 42 -7.663 3.866 2.252 1.00 0.00 C ATOM 665 CG ASN A 42 -6.935 4.360 3.503 1.00 0.00 C ATOM 666 OD1 ASN A 42 -6.476 3.572 4.306 1.00 0.00 O ATOM 667 ND2 ASN A 42 -6.812 5.643 3.706 1.00 0.00 N ATOM 0 H ASN A 42 -5.885 5.100 1.051 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.099 2.417 1.915 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.113 4.707 1.724 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.474 3.194 2.532 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.331 5.984 4.538 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.197 6.305 3.032 1.00 0.00 H new ATOM 674 N ALA A 43 -7.705 3.084 -0.853 1.00 0.00 N ATOM 675 CA ALA A 43 -8.447 2.425 -1.961 1.00 0.00 C ATOM 676 C ALA A 43 -7.569 1.330 -2.568 1.00 0.00 C ATOM 677 O ALA A 43 -8.036 0.257 -2.900 1.00 0.00 O ATOM 678 CB ALA A 43 -8.791 3.460 -3.033 1.00 0.00 C ATOM 0 H ALA A 43 -7.442 4.055 -1.021 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.368 1.986 -1.578 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -9.335 2.976 -3.845 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.411 4.243 -2.597 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.873 3.899 -3.423 1.00 0.00 H new ATOM 684 N LEU A 44 -6.301 1.593 -2.719 1.00 0.00 N ATOM 685 CA LEU A 44 -5.387 0.575 -3.308 1.00 0.00 C ATOM 686 C LEU A 44 -5.340 -0.683 -2.432 1.00 0.00 C ATOM 687 O LEU A 44 -5.454 -1.788 -2.923 1.00 0.00 O ATOM 688 CB LEU A 44 -3.981 1.162 -3.412 1.00 0.00 C ATOM 689 CG LEU A 44 -3.753 1.683 -4.828 1.00 0.00 C ATOM 690 CD1 LEU A 44 -2.489 2.540 -4.854 1.00 0.00 C ATOM 691 CD2 LEU A 44 -3.588 0.499 -5.786 1.00 0.00 C ATOM 0 H LEU A 44 -5.856 2.473 -2.459 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.758 0.303 -4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.858 1.970 -2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.239 0.402 -3.168 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.607 2.284 -5.138 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.323 2.914 -5.864 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.606 3.381 -4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.635 1.938 -4.545 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.425 0.870 -6.798 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.733 -0.102 -5.478 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.489 -0.114 -5.765 1.00 0.00 H new ATOM 703 N LYS A 45 -5.153 -0.536 -1.144 1.00 0.00 N ATOM 704 CA LYS A 45 -5.078 -1.743 -0.270 1.00 0.00 C ATOM 705 C LYS A 45 -6.427 -2.469 -0.247 1.00 0.00 C ATOM 706 O LYS A 45 -6.497 -3.654 0.009 1.00 0.00 O ATOM 707 CB LYS A 45 -4.690 -1.337 1.156 1.00 0.00 C ATOM 708 CG LYS A 45 -3.513 -2.195 1.618 1.00 0.00 C ATOM 709 CD LYS A 45 -2.237 -1.713 0.930 1.00 0.00 C ATOM 710 CE LYS A 45 -1.119 -2.727 1.165 1.00 0.00 C ATOM 711 NZ LYS A 45 -0.814 -3.441 -0.105 1.00 0.00 N ATOM 0 H LYS A 45 -5.050 0.359 -0.665 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.320 -2.415 -0.673 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.420 -0.281 1.186 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.538 -1.469 1.828 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.403 -2.130 2.700 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.696 -3.243 1.379 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.412 -1.589 -0.139 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.946 -0.738 1.321 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.226 -2.220 1.532 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.418 -3.441 1.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.140 -3.851 -0.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.509 -4.200 -0.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.860 -2.771 -0.899 1.00 0.00 H new ATOM 725 N ASN A 46 -7.499 -1.774 -0.503 1.00 0.00 N ATOM 726 CA ASN A 46 -8.835 -2.437 -0.481 1.00 0.00 C ATOM 727 C ASN A 46 -9.085 -3.178 -1.798 1.00 0.00 C ATOM 728 O ASN A 46 -9.858 -4.115 -1.853 1.00 0.00 O ATOM 729 CB ASN A 46 -9.920 -1.379 -0.276 1.00 0.00 C ATOM 730 CG ASN A 46 -10.123 -1.147 1.222 1.00 0.00 C ATOM 731 OD1 ASN A 46 -9.712 -1.954 2.034 1.00 0.00 O ATOM 732 ND2 ASN A 46 -10.742 -0.073 1.627 1.00 0.00 N ATOM 0 H ASN A 46 -7.510 -0.779 -0.726 1.00 0.00 H new ATOM 0 HA ASN A 46 -8.860 -3.157 0.337 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.633 -0.448 -0.764 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.853 -1.705 -0.735 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.881 0.090 2.624 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.087 0.604 0.947 1.00 0.00 H new ATOM 739 N GLU A 47 -8.454 -2.764 -2.863 1.00 0.00 N ATOM 740 CA GLU A 47 -8.678 -3.447 -4.170 1.00 0.00 C ATOM 741 C GLU A 47 -7.904 -4.763 -4.223 1.00 0.00 C ATOM 742 O GLU A 47 -8.203 -5.625 -5.019 1.00 0.00 O ATOM 743 CB GLU A 47 -8.216 -2.533 -5.307 1.00 0.00 C ATOM 744 CG GLU A 47 -9.362 -2.334 -6.302 1.00 0.00 C ATOM 745 CD GLU A 47 -8.793 -2.192 -7.715 1.00 0.00 C ATOM 746 OE1 GLU A 47 -8.273 -1.130 -8.017 1.00 0.00 O ATOM 747 OE2 GLU A 47 -8.886 -3.145 -8.468 1.00 0.00 O ATOM 0 H GLU A 47 -7.795 -1.985 -2.885 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.741 -3.662 -4.279 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.897 -1.571 -4.907 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.354 -2.970 -5.812 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.047 -3.181 -6.258 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.936 -1.446 -6.039 1.00 0.00 H new ATOM 754 N ILE A 48 -6.918 -4.932 -3.386 1.00 0.00 N ATOM 755 CA ILE A 48 -6.143 -6.208 -3.398 1.00 0.00 C ATOM 756 C ILE A 48 -7.058 -7.350 -2.955 1.00 0.00 C ATOM 757 O ILE A 48 -6.890 -8.482 -3.361 1.00 0.00 O ATOM 758 CB ILE A 48 -4.942 -6.079 -2.454 1.00 0.00 C ATOM 759 CG1 ILE A 48 -3.807 -5.387 -3.195 1.00 0.00 C ATOM 760 CG2 ILE A 48 -4.465 -7.459 -1.998 1.00 0.00 C ATOM 761 CD1 ILE A 48 -3.433 -4.096 -2.468 1.00 0.00 C ATOM 0 H ILE A 48 -6.615 -4.245 -2.696 1.00 0.00 H new ATOM 0 HA ILE A 48 -5.776 -6.419 -4.402 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.240 -5.501 -1.579 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.942 -6.047 -3.254 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.109 -5.166 -4.219 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.612 -7.346 -1.329 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.273 -7.968 -1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.169 -8.047 -2.867 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.620 -3.601 -3.000 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.299 -3.435 -2.432 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.113 -4.330 -1.453 1.00 0.00 H new ATOM 773 N LEU A 49 -8.033 -7.067 -2.137 1.00 0.00 N ATOM 774 CA LEU A 49 -8.954 -8.146 -1.693 1.00 0.00 C ATOM 775 C LEU A 49 -9.653 -8.745 -2.915 1.00 0.00 C ATOM 776 O LEU A 49 -10.073 -9.885 -2.903 1.00 0.00 O ATOM 777 CB LEU A 49 -10.002 -7.568 -0.738 1.00 0.00 C ATOM 778 CG LEU A 49 -9.692 -8.020 0.690 1.00 0.00 C ATOM 779 CD1 LEU A 49 -9.808 -9.543 0.783 1.00 0.00 C ATOM 780 CD2 LEU A 49 -8.267 -7.598 1.054 1.00 0.00 C ATOM 0 H LEU A 49 -8.230 -6.140 -1.759 1.00 0.00 H new ATOM 0 HA LEU A 49 -8.386 -8.921 -1.178 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.001 -6.479 -0.795 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -10.998 -7.901 -1.029 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.400 -7.560 1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.587 -9.863 1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -10.821 -9.848 0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -9.099 -10.005 0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -8.041 -7.918 2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.563 -8.061 0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.180 -6.513 0.987 1.00 0.00 H new ATOM 792 N LYS A 50 -9.783 -7.988 -3.976 1.00 0.00 N ATOM 793 CA LYS A 50 -10.458 -8.528 -5.192 1.00 0.00 C ATOM 794 C LYS A 50 -9.573 -8.303 -6.422 1.00 0.00 C ATOM 795 O LYS A 50 -9.973 -8.562 -7.540 1.00 0.00 O ATOM 796 CB LYS A 50 -11.794 -7.812 -5.392 1.00 0.00 C ATOM 797 CG LYS A 50 -12.872 -8.838 -5.739 1.00 0.00 C ATOM 798 CD LYS A 50 -13.010 -8.940 -7.259 1.00 0.00 C ATOM 799 CE LYS A 50 -14.489 -9.056 -7.627 1.00 0.00 C ATOM 800 NZ LYS A 50 -14.621 -9.647 -8.988 1.00 0.00 N ATOM 0 H LYS A 50 -9.453 -7.026 -4.051 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.629 -9.597 -5.062 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -12.069 -7.271 -4.486 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.708 -7.074 -6.190 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.611 -9.810 -5.321 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.824 -8.545 -5.296 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.573 -8.062 -7.735 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.463 -9.808 -7.628 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -15.008 -9.678 -6.898 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.959 -8.073 -7.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.628 -9.725 -9.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.140 -9.037 -9.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.187 -10.592 -9.000 1.00 0.00 H new ATOM 814 N ALA A 51 -8.376 -7.825 -6.225 1.00 0.00 N ATOM 815 CA ALA A 51 -7.466 -7.584 -7.381 1.00 0.00 C ATOM 816 C ALA A 51 -6.458 -8.723 -7.481 1.00 0.00 C ATOM 817 O ALA A 51 -5.833 -8.926 -8.503 1.00 0.00 O ATOM 818 CB ALA A 51 -6.707 -6.269 -7.177 1.00 0.00 C ATOM 0 H ALA A 51 -7.987 -7.590 -5.312 1.00 0.00 H new ATOM 0 HA ALA A 51 -8.058 -7.529 -8.295 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.043 -6.097 -8.024 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -7.418 -5.447 -7.100 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.119 -6.327 -6.261 1.00 0.00 H new ATOM 824 N HIS A 52 -6.272 -9.451 -6.417 1.00 0.00 N ATOM 825 CA HIS A 52 -5.276 -10.551 -6.447 1.00 0.00 C ATOM 826 C HIS A 52 -5.781 -11.744 -5.625 1.00 0.00 C ATOM 827 O HIS A 52 -5.063 -12.694 -5.386 1.00 0.00 O ATOM 828 CB HIS A 52 -3.958 -9.994 -5.887 1.00 0.00 C ATOM 829 CG HIS A 52 -3.744 -10.405 -4.456 1.00 0.00 C ATOM 830 ND1 HIS A 52 -2.515 -10.841 -3.994 1.00 0.00 N ATOM 831 CD2 HIS A 52 -4.584 -10.429 -3.374 1.00 0.00 C ATOM 832 CE1 HIS A 52 -2.646 -11.106 -2.685 1.00 0.00 C ATOM 833 NE2 HIS A 52 -3.890 -10.874 -2.253 1.00 0.00 N ATOM 0 H HIS A 52 -6.765 -9.331 -5.532 1.00 0.00 H new ATOM 0 HA HIS A 52 -5.119 -10.911 -7.464 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -3.126 -10.348 -6.496 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -3.964 -8.906 -5.956 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -1.664 -10.943 -4.547 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -5.626 -10.146 -3.389 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.844 -11.463 -2.056 1.00 0.00 H new ATOM 841 N ALA A 53 -7.009 -11.698 -5.195 1.00 0.00 N ATOM 842 CA ALA A 53 -7.561 -12.826 -4.392 1.00 0.00 C ATOM 843 C ALA A 53 -9.069 -12.640 -4.215 1.00 0.00 C ATOM 844 O ALA A 53 -9.725 -13.600 -3.847 1.00 0.00 O ATOM 845 CB ALA A 53 -6.886 -12.853 -3.018 1.00 0.00 C ATOM 846 OXT ALA A 53 -9.543 -11.541 -4.455 1.00 0.00 O ATOM 0 H ALA A 53 -7.656 -10.928 -5.364 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.370 -13.766 -4.910 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.289 -13.678 -2.431 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.812 -12.988 -3.143 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.076 -11.912 -2.501 1.00 0.00 H new TER 852 ALA A 53