USER MOD reduce.3.24.130724 H: found=0, std=0, add=596, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 600 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 THR OG1 : rot -114:sc= -0.0514! USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= -0.117 K(o=-0.12,f=-0.66) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -2.97! C(o=-3!,f=-5.6!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.267 K(o=-0.27,f=-2.9!) USER MOD Single : A 33 THR OG1 : rot -150:sc= -1.49 USER MOD Single : A 35 ASN : amide:sc= -0.243 K(o=-0.24,f=-3.5!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot 22:sc= -7.31! USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -167:sc= -1.04! (180deg=-2.33!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 24:sc= -2.7! USER MOD Single : A 56 TYR OH : rot 180:sc= -0.329 USER MOD Single : A 58 TYR OH : rot 31:sc= 0.76 USER MOD Single : A 59 GLN : amide:sc= 0.212 K(o=0.21,f=-6.5!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 30:sc= -1.04 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -142:sc= -7.93! (180deg=-13.2!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN :FLIP amide:sc= -5.15! C(o=-6.7!,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 10 N GLU A 2 -9.924 9.405 -4.197 1.00 0.00 N ATOM 11 CA GLU A 2 -8.860 10.251 -3.583 1.00 0.00 C ATOM 12 C GLU A 2 -7.490 9.590 -3.757 1.00 0.00 C ATOM 13 O GLU A 2 -7.388 8.451 -4.167 1.00 0.00 O ATOM 14 CB GLU A 2 -9.229 10.337 -2.102 1.00 0.00 C ATOM 15 CG GLU A 2 -8.376 11.410 -1.423 1.00 0.00 C ATOM 16 CD GLU A 2 -9.237 12.199 -0.435 1.00 0.00 C ATOM 17 OE1 GLU A 2 -10.367 11.796 -0.212 1.00 0.00 O ATOM 18 OE2 GLU A 2 -8.753 13.193 0.081 1.00 0.00 O ATOM 0 HA GLU A 2 -8.797 11.236 -4.046 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -10.287 10.576 -1.994 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -9.069 9.372 -1.620 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.538 10.947 -0.902 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.955 12.082 -2.171 1.00 0.00 H new ATOM 25 N TRP A 3 -6.436 10.297 -3.452 1.00 0.00 N ATOM 26 CA TRP A 3 -5.074 9.706 -3.603 1.00 0.00 C ATOM 27 C TRP A 3 -4.065 10.469 -2.741 1.00 0.00 C ATOM 28 O TRP A 3 -4.334 11.552 -2.263 1.00 0.00 O ATOM 29 CB TRP A 3 -4.737 9.860 -5.086 1.00 0.00 C ATOM 30 CG TRP A 3 -5.043 11.257 -5.525 1.00 0.00 C ATOM 31 CD1 TRP A 3 -4.306 12.347 -5.213 1.00 0.00 C ATOM 32 CD2 TRP A 3 -6.148 11.731 -6.347 1.00 0.00 C ATOM 33 NE1 TRP A 3 -4.888 13.460 -5.793 1.00 0.00 N ATOM 34 CE2 TRP A 3 -6.026 13.132 -6.502 1.00 0.00 C ATOM 35 CE3 TRP A 3 -7.234 11.087 -6.969 1.00 0.00 C ATOM 36 CZ2 TRP A 3 -6.949 13.868 -7.245 1.00 0.00 C ATOM 37 CZ3 TRP A 3 -8.164 11.826 -7.718 1.00 0.00 C ATOM 38 CH2 TRP A 3 -8.022 13.214 -7.856 1.00 0.00 C ATOM 0 H TRP A 3 -6.458 11.256 -3.106 1.00 0.00 H new ATOM 0 HA TRP A 3 -5.039 8.665 -3.283 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -3.684 9.637 -5.256 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -5.313 9.148 -5.677 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -3.410 12.348 -4.610 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -4.521 14.408 -5.707 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -7.353 10.018 -6.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -6.835 14.937 -7.347 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -8.994 11.322 -8.191 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -8.741 13.777 -8.433 1.00 0.00 H new ATOM 49 N GLU A 4 -2.904 9.908 -2.538 1.00 0.00 N ATOM 50 CA GLU A 4 -1.875 10.599 -1.708 1.00 0.00 C ATOM 51 C GLU A 4 -0.554 9.829 -1.765 1.00 0.00 C ATOM 52 O GLU A 4 -0.523 8.655 -2.075 1.00 0.00 O ATOM 53 CB GLU A 4 -2.443 10.590 -0.288 1.00 0.00 C ATOM 54 CG GLU A 4 -2.352 9.177 0.292 1.00 0.00 C ATOM 55 CD GLU A 4 -3.303 9.051 1.484 1.00 0.00 C ATOM 56 OE1 GLU A 4 -4.502 9.031 1.260 1.00 0.00 O ATOM 57 OE2 GLU A 4 -2.816 8.976 2.600 1.00 0.00 O ATOM 0 H GLU A 4 -2.623 9.001 -2.911 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.669 11.611 -2.056 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.890 11.288 0.340 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.481 10.924 -0.298 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.609 8.442 -0.471 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -1.329 8.966 0.605 1.00 0.00 H new ATOM 64 N ILE A 5 0.538 10.478 -1.469 1.00 0.00 N ATOM 65 CA ILE A 5 1.853 9.771 -1.510 1.00 0.00 C ATOM 66 C ILE A 5 2.486 9.740 -0.119 1.00 0.00 C ATOM 67 O ILE A 5 2.015 10.361 0.813 1.00 0.00 O ATOM 68 CB ILE A 5 2.727 10.561 -2.503 1.00 0.00 C ATOM 69 CG1 ILE A 5 4.214 10.388 -2.167 1.00 0.00 C ATOM 70 CG2 ILE A 5 2.378 12.052 -2.456 1.00 0.00 C ATOM 71 CD1 ILE A 5 5.051 11.276 -3.088 1.00 0.00 C ATOM 0 H ILE A 5 0.579 11.462 -1.202 1.00 0.00 H new ATOM 0 HA ILE A 5 1.745 8.733 -1.825 1.00 0.00 H new ATOM 0 HB ILE A 5 2.532 10.172 -3.503 1.00 0.00 H new ATOM 0 HG12 ILE A 5 4.396 10.653 -1.125 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.506 9.345 -2.286 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.005 12.595 -3.163 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.330 12.189 -2.721 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.551 12.435 -1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.108 11.154 -2.850 1.00 0.00 H new ATOM 0 HD12 ILE A 5 4.877 10.990 -4.125 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.766 12.318 -2.946 1.00 0.00 H new ATOM 83 N ILE A 6 3.553 9.011 0.012 1.00 0.00 N ATOM 84 CA ILE A 6 4.247 8.909 1.331 1.00 0.00 C ATOM 85 C ILE A 6 5.743 8.657 1.112 1.00 0.00 C ATOM 86 O ILE A 6 6.215 8.632 -0.007 1.00 0.00 O ATOM 87 CB ILE A 6 3.599 7.717 2.053 1.00 0.00 C ATOM 88 CG1 ILE A 6 3.177 6.644 1.025 1.00 0.00 C ATOM 89 CG2 ILE A 6 2.390 8.204 2.858 1.00 0.00 C ATOM 90 CD1 ILE A 6 1.794 6.956 0.435 1.00 0.00 C ATOM 0 H ILE A 6 3.982 8.474 -0.742 1.00 0.00 H new ATOM 0 HA ILE A 6 4.153 9.825 1.915 1.00 0.00 H new ATOM 0 HB ILE A 6 4.319 7.269 2.738 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.914 6.594 0.224 1.00 0.00 H new ATOM 0 HG13 ILE A 6 3.159 5.665 1.504 1.00 0.00 H new ATOM 0 HG21 ILE A 6 1.930 7.359 3.370 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.715 8.941 3.593 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.664 8.659 2.184 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.523 6.184 -0.285 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.054 6.981 1.235 1.00 0.00 H new ATOM 0 HD13 ILE A 6 1.822 7.925 -0.064 1.00 0.00 H new ATOM 102 N ASP A 7 6.494 8.473 2.165 1.00 0.00 N ATOM 103 CA ASP A 7 7.956 8.227 1.992 1.00 0.00 C ATOM 104 C ASP A 7 8.641 8.022 3.348 1.00 0.00 C ATOM 105 O ASP A 7 8.525 8.834 4.243 1.00 0.00 O ATOM 106 CB ASP A 7 8.489 9.488 1.311 1.00 0.00 C ATOM 107 CG ASP A 7 8.021 10.723 2.084 1.00 0.00 C ATOM 108 OD1 ASP A 7 8.646 11.044 3.081 1.00 0.00 O ATOM 109 OD2 ASP A 7 7.047 11.325 1.665 1.00 0.00 O ATOM 0 H ASP A 7 6.163 8.482 3.130 1.00 0.00 H new ATOM 0 HA ASP A 7 8.150 7.327 1.408 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.578 9.461 1.273 1.00 0.00 H new ATOM 0 HB3 ASP A 7 8.135 9.535 0.281 1.00 0.00 H new ATOM 114 N ILE A 8 9.345 6.930 3.498 1.00 0.00 N ATOM 115 CA ILE A 8 10.048 6.639 4.785 1.00 0.00 C ATOM 116 C ILE A 8 9.138 6.963 5.965 1.00 0.00 C ATOM 117 O ILE A 8 9.593 7.260 7.052 1.00 0.00 O ATOM 118 CB ILE A 8 11.300 7.527 4.780 1.00 0.00 C ATOM 119 CG1 ILE A 8 12.276 7.028 5.849 1.00 0.00 C ATOM 120 CG2 ILE A 8 10.928 8.982 5.077 1.00 0.00 C ATOM 121 CD1 ILE A 8 13.559 6.534 5.178 1.00 0.00 C ATOM 0 H ILE A 8 9.464 6.219 2.776 1.00 0.00 H new ATOM 0 HA ILE A 8 10.316 5.587 4.881 1.00 0.00 H new ATOM 0 HB ILE A 8 11.763 7.476 3.795 1.00 0.00 H new ATOM 0 HG12 ILE A 8 12.505 7.830 6.550 1.00 0.00 H new ATOM 0 HG13 ILE A 8 11.821 6.222 6.425 1.00 0.00 H new ATOM 0 HG21 ILE A 8 11.828 9.597 5.069 1.00 0.00 H new ATOM 0 HG22 ILE A 8 10.236 9.343 4.316 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.455 9.044 6.057 1.00 0.00 H new ATOM 0 HD11 ILE A 8 14.254 6.179 5.939 1.00 0.00 H new ATOM 0 HD12 ILE A 8 13.321 5.719 4.494 1.00 0.00 H new ATOM 0 HD13 ILE A 8 14.017 7.352 4.622 1.00 0.00 H new ATOM 133 N GLY A 9 7.852 6.922 5.755 1.00 0.00 N ATOM 134 CA GLY A 9 6.913 7.244 6.866 1.00 0.00 C ATOM 135 C GLY A 9 6.008 6.047 7.229 1.00 0.00 C ATOM 136 O GLY A 9 6.441 5.097 7.858 1.00 0.00 O ATOM 0 H GLY A 9 7.412 6.681 4.867 1.00 0.00 H new ATOM 0 HA2 GLY A 9 7.482 7.547 7.745 1.00 0.00 H new ATOM 0 HA3 GLY A 9 6.292 8.093 6.580 1.00 0.00 H new ATOM 140 N PRO A 10 4.758 6.172 6.861 1.00 0.00 N ATOM 141 CA PRO A 10 3.738 5.148 7.201 1.00 0.00 C ATOM 142 C PRO A 10 3.773 3.942 6.259 1.00 0.00 C ATOM 143 O PRO A 10 4.189 2.866 6.643 1.00 0.00 O ATOM 144 CB PRO A 10 2.422 5.903 7.051 1.00 0.00 C ATOM 145 CG PRO A 10 2.702 7.018 6.089 1.00 0.00 C ATOM 146 CD PRO A 10 4.190 7.272 6.084 1.00 0.00 C ATOM 0 HA PRO A 10 3.900 4.730 8.194 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.636 5.249 6.674 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.081 6.290 8.011 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.358 6.753 5.089 1.00 0.00 H new ATOM 0 HG3 PRO A 10 2.163 7.919 6.383 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.586 7.285 5.069 1.00 0.00 H new ATOM 0 HD3 PRO A 10 4.428 8.237 6.531 1.00 0.00 H new ATOM 154 N PHE A 11 3.319 4.100 5.042 1.00 0.00 N ATOM 155 CA PHE A 11 3.310 2.943 4.094 1.00 0.00 C ATOM 156 C PHE A 11 4.592 2.128 4.256 1.00 0.00 C ATOM 157 O PHE A 11 4.616 0.933 4.037 1.00 0.00 O ATOM 158 CB PHE A 11 3.207 3.568 2.707 1.00 0.00 C ATOM 159 CG PHE A 11 1.782 4.020 2.488 1.00 0.00 C ATOM 160 CD1 PHE A 11 1.369 5.278 2.939 1.00 0.00 C ATOM 161 CD2 PHE A 11 0.871 3.175 1.845 1.00 0.00 C ATOM 162 CE1 PHE A 11 0.046 5.693 2.747 1.00 0.00 C ATOM 163 CE2 PHE A 11 -0.453 3.590 1.650 1.00 0.00 C ATOM 164 CZ PHE A 11 -0.864 4.849 2.101 1.00 0.00 C ATOM 0 H PHE A 11 2.956 4.975 4.664 1.00 0.00 H new ATOM 0 HA PHE A 11 2.485 2.254 4.274 1.00 0.00 H new ATOM 0 HB2 PHE A 11 3.890 4.413 2.621 1.00 0.00 H new ATOM 0 HB3 PHE A 11 3.497 2.846 1.944 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.072 5.930 3.436 1.00 0.00 H new ATOM 0 HD2 PHE A 11 1.188 2.202 1.499 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -0.272 6.664 3.097 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -1.156 2.938 1.152 1.00 0.00 H new ATOM 0 HZ PHE A 11 -1.884 5.170 1.950 1.00 0.00 H new ATOM 174 N THR A 12 5.646 2.763 4.677 1.00 0.00 N ATOM 175 CA THR A 12 6.918 2.039 4.905 1.00 0.00 C ATOM 176 C THR A 12 6.703 1.067 6.055 1.00 0.00 C ATOM 177 O THR A 12 6.787 -0.137 5.902 1.00 0.00 O ATOM 178 CB THR A 12 7.934 3.121 5.295 1.00 0.00 C ATOM 179 OG1 THR A 12 7.849 3.386 6.688 1.00 0.00 O ATOM 180 CG2 THR A 12 7.654 4.411 4.526 1.00 0.00 C ATOM 0 H THR A 12 5.678 3.763 4.874 1.00 0.00 H new ATOM 0 HA THR A 12 7.261 1.476 4.037 1.00 0.00 H new ATOM 0 HB THR A 12 8.933 2.761 5.049 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.530 4.302 6.828 1.00 0.00 H new ATOM 0 HG21 THR A 12 8.382 5.170 4.812 1.00 0.00 H new ATOM 0 HG22 THR A 12 7.730 4.220 3.456 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.650 4.764 4.761 1.00 0.00 H new ATOM 188 N GLN A 13 6.392 1.592 7.204 1.00 0.00 N ATOM 189 CA GLN A 13 6.130 0.708 8.373 1.00 0.00 C ATOM 190 C GLN A 13 4.960 -0.212 8.040 1.00 0.00 C ATOM 191 O GLN A 13 4.838 -1.308 8.552 1.00 0.00 O ATOM 192 CB GLN A 13 5.775 1.652 9.524 1.00 0.00 C ATOM 193 CG GLN A 13 7.051 2.054 10.266 1.00 0.00 C ATOM 194 CD GLN A 13 6.736 2.259 11.749 1.00 0.00 C ATOM 195 OE1 GLN A 13 7.015 1.403 12.565 1.00 0.00 O ATOM 196 NE2 GLN A 13 6.163 3.365 12.134 1.00 0.00 N ATOM 0 H GLN A 13 6.308 2.592 7.386 1.00 0.00 H new ATOM 0 HA GLN A 13 6.982 0.079 8.633 1.00 0.00 H new ATOM 0 HB2 GLN A 13 5.271 2.538 9.139 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.082 1.163 10.209 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.811 1.282 10.148 1.00 0.00 H new ATOM 0 HG3 GLN A 13 7.459 2.971 9.840 1.00 0.00 H new ATOM 0 HE21 GLN A 13 5.929 4.083 11.449 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.949 3.512 13.120 1.00 0.00 H new ATOM 205 N ASN A 14 4.110 0.232 7.161 1.00 0.00 N ATOM 206 CA ASN A 14 2.945 -0.600 6.750 1.00 0.00 C ATOM 207 C ASN A 14 3.425 -1.716 5.838 1.00 0.00 C ATOM 208 O ASN A 14 3.085 -2.869 6.010 1.00 0.00 O ATOM 209 CB ASN A 14 2.013 0.353 6.000 1.00 0.00 C ATOM 210 CG ASN A 14 0.594 0.223 6.554 1.00 0.00 C ATOM 211 OD1 ASN A 14 0.176 -0.850 6.941 1.00 0.00 O ATOM 212 ND2 ASN A 14 -0.171 1.279 6.611 1.00 0.00 N ATOM 0 H ASN A 14 4.171 1.142 6.705 1.00 0.00 H new ATOM 0 HA ASN A 14 2.438 -1.064 7.596 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.363 1.380 6.107 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.021 0.123 4.935 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -1.119 1.203 6.980 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.179 2.180 6.286 1.00 0.00 H new ATOM 219 N LEU A 15 4.231 -1.377 4.881 1.00 0.00 N ATOM 220 CA LEU A 15 4.765 -2.412 3.959 1.00 0.00 C ATOM 221 C LEU A 15 5.198 -3.629 4.774 1.00 0.00 C ATOM 222 O LEU A 15 4.570 -4.666 4.737 1.00 0.00 O ATOM 223 CB LEU A 15 5.971 -1.755 3.285 1.00 0.00 C ATOM 224 CG LEU A 15 6.567 -2.709 2.247 1.00 0.00 C ATOM 225 CD1 LEU A 15 7.317 -3.836 2.955 1.00 0.00 C ATOM 226 CD2 LEU A 15 5.446 -3.304 1.392 1.00 0.00 C ATOM 0 H LEU A 15 4.546 -0.425 4.695 1.00 0.00 H new ATOM 0 HA LEU A 15 4.033 -2.750 3.226 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.669 -0.824 2.806 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.723 -1.500 4.032 1.00 0.00 H new ATOM 0 HG LEU A 15 7.258 -2.158 1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.740 -4.514 2.213 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.119 -3.415 3.561 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.628 -4.385 3.596 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.873 -3.983 0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.753 -3.852 2.031 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.913 -2.502 0.882 1.00 0.00 H new ATOM 238 N GLY A 16 6.259 -3.503 5.524 1.00 0.00 N ATOM 239 CA GLY A 16 6.720 -4.649 6.353 1.00 0.00 C ATOM 240 C GLY A 16 5.512 -5.287 7.040 1.00 0.00 C ATOM 241 O GLY A 16 5.429 -6.490 7.186 1.00 0.00 O ATOM 0 H GLY A 16 6.824 -2.657 5.597 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.229 -5.384 5.729 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.440 -4.309 7.097 1.00 0.00 H new ATOM 245 N LYS A 17 4.569 -4.486 7.459 1.00 0.00 N ATOM 246 CA LYS A 17 3.360 -5.041 8.131 1.00 0.00 C ATOM 247 C LYS A 17 2.477 -5.767 7.117 1.00 0.00 C ATOM 248 O LYS A 17 2.578 -6.962 6.928 1.00 0.00 O ATOM 249 CB LYS A 17 2.634 -3.825 8.706 1.00 0.00 C ATOM 250 CG LYS A 17 3.118 -3.570 10.135 1.00 0.00 C ATOM 251 CD LYS A 17 2.344 -2.394 10.735 1.00 0.00 C ATOM 252 CE LYS A 17 2.184 -2.604 12.241 1.00 0.00 C ATOM 253 NZ LYS A 17 3.379 -1.959 12.850 1.00 0.00 N ATOM 0 H LYS A 17 4.584 -3.471 7.364 1.00 0.00 H new ATOM 0 HA LYS A 17 3.613 -5.767 8.904 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.822 -2.949 8.085 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.557 -3.995 8.700 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.973 -4.463 10.744 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.186 -3.354 10.135 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.872 -1.460 10.541 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.365 -2.310 10.263 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.262 -2.152 12.607 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.139 -3.664 12.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.340 -2.062 13.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.241 -2.415 12.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.392 -0.949 12.603 1.00 0.00 H new ATOM 267 N PHE A 18 1.611 -5.046 6.469 1.00 0.00 N ATOM 268 CA PHE A 18 0.705 -5.676 5.461 1.00 0.00 C ATOM 269 C PHE A 18 1.460 -6.709 4.634 1.00 0.00 C ATOM 270 O PHE A 18 0.962 -7.780 4.349 1.00 0.00 O ATOM 271 CB PHE A 18 0.224 -4.523 4.580 1.00 0.00 C ATOM 272 CG PHE A 18 -1.227 -4.232 4.878 1.00 0.00 C ATOM 273 CD1 PHE A 18 -1.617 -3.879 6.176 1.00 0.00 C ATOM 274 CD2 PHE A 18 -2.181 -4.314 3.858 1.00 0.00 C ATOM 275 CE1 PHE A 18 -2.963 -3.609 6.452 1.00 0.00 C ATOM 276 CE2 PHE A 18 -3.527 -4.044 4.134 1.00 0.00 C ATOM 277 CZ PHE A 18 -3.918 -3.692 5.432 1.00 0.00 C ATOM 0 H PHE A 18 1.487 -4.041 6.591 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.126 -6.202 5.931 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.829 -3.635 4.763 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.346 -4.780 3.528 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.880 -3.815 6.963 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.879 -4.586 2.857 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.265 -3.337 7.453 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -4.263 -4.107 3.346 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.956 -3.485 5.646 1.00 0.00 H new ATOM 287 N ALA A 19 2.658 -6.401 4.258 1.00 0.00 N ATOM 288 CA ALA A 19 3.454 -7.369 3.457 1.00 0.00 C ATOM 289 C ALA A 19 3.625 -8.663 4.252 1.00 0.00 C ATOM 290 O ALA A 19 3.076 -9.685 3.907 1.00 0.00 O ATOM 291 CB ALA A 19 4.808 -6.698 3.226 1.00 0.00 C ATOM 0 H ALA A 19 3.127 -5.520 4.468 1.00 0.00 H new ATOM 0 HA ALA A 19 2.973 -7.622 2.512 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.446 -7.359 2.640 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.663 -5.762 2.687 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.282 -6.494 4.186 1.00 0.00 H new ATOM 297 N VAL A 20 4.372 -8.618 5.322 1.00 0.00 N ATOM 298 CA VAL A 20 4.571 -9.844 6.148 1.00 0.00 C ATOM 299 C VAL A 20 3.269 -10.647 6.229 1.00 0.00 C ATOM 300 O VAL A 20 3.282 -11.850 6.367 1.00 0.00 O ATOM 301 CB VAL A 20 4.975 -9.328 7.530 1.00 0.00 C ATOM 302 CG1 VAL A 20 4.807 -10.443 8.565 1.00 0.00 C ATOM 303 CG2 VAL A 20 6.438 -8.881 7.497 1.00 0.00 C ATOM 0 H VAL A 20 4.853 -7.785 5.660 1.00 0.00 H new ATOM 0 HA VAL A 20 5.324 -10.509 5.726 1.00 0.00 H new ATOM 0 HB VAL A 20 4.340 -8.484 7.801 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.096 -10.073 9.549 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.765 -10.763 8.589 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.440 -11.288 8.295 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.728 -8.513 8.481 1.00 0.00 H new ATOM 0 HG22 VAL A 20 7.071 -9.726 7.225 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.559 -8.085 6.762 1.00 0.00 H new ATOM 313 N ASP A 21 2.143 -9.992 6.136 1.00 0.00 N ATOM 314 CA ASP A 21 0.851 -10.732 6.201 1.00 0.00 C ATOM 315 C ASP A 21 0.348 -11.048 4.792 1.00 0.00 C ATOM 316 O ASP A 21 0.401 -12.177 4.351 1.00 0.00 O ATOM 317 CB ASP A 21 -0.114 -9.789 6.922 1.00 0.00 C ATOM 318 CG ASP A 21 -0.516 -10.400 8.266 1.00 0.00 C ATOM 319 OD1 ASP A 21 0.200 -10.183 9.230 1.00 0.00 O ATOM 320 OD2 ASP A 21 -1.532 -11.075 8.308 1.00 0.00 O ATOM 0 H ASP A 21 2.062 -8.982 6.018 1.00 0.00 H new ATOM 0 HA ASP A 21 0.949 -11.685 6.720 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.357 -8.819 7.078 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -0.999 -9.618 6.309 1.00 0.00 H new ATOM 325 N GLU A 22 -0.142 -10.071 4.077 1.00 0.00 N ATOM 326 CA GLU A 22 -0.640 -10.361 2.702 1.00 0.00 C ATOM 327 C GLU A 22 0.455 -11.037 1.888 1.00 0.00 C ATOM 328 O GLU A 22 0.180 -11.820 1.006 1.00 0.00 O ATOM 329 CB GLU A 22 -1.039 -9.008 2.107 1.00 0.00 C ATOM 330 CG GLU A 22 -2.069 -8.337 3.017 1.00 0.00 C ATOM 331 CD GLU A 22 -3.199 -9.322 3.322 1.00 0.00 C ATOM 332 OE1 GLU A 22 -4.097 -9.435 2.504 1.00 0.00 O ATOM 333 OE2 GLU A 22 -3.148 -9.947 4.369 1.00 0.00 O ATOM 0 H GLU A 22 -0.218 -9.100 4.379 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.491 -11.042 2.703 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.161 -8.371 2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.454 -9.146 1.109 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.595 -8.013 3.943 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.470 -7.445 2.535 1.00 0.00 H new ATOM 340 N GLU A 23 1.689 -10.773 2.202 1.00 0.00 N ATOM 341 CA GLU A 23 2.802 -11.441 1.466 1.00 0.00 C ATOM 342 C GLU A 23 2.928 -12.870 1.977 1.00 0.00 C ATOM 343 O GLU A 23 2.732 -13.815 1.240 1.00 0.00 O ATOM 344 CB GLU A 23 4.062 -10.633 1.780 1.00 0.00 C ATOM 345 CG GLU A 23 5.140 -10.942 0.739 1.00 0.00 C ATOM 346 CD GLU A 23 6.230 -11.809 1.373 1.00 0.00 C ATOM 347 OE1 GLU A 23 5.880 -12.745 2.074 1.00 0.00 O ATOM 348 OE2 GLU A 23 7.393 -11.522 1.148 1.00 0.00 O ATOM 0 H GLU A 23 1.979 -10.125 2.935 1.00 0.00 H new ATOM 0 HA GLU A 23 2.635 -11.480 0.390 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.833 -9.567 1.777 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.425 -10.878 2.778 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.699 -11.459 -0.113 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.572 -10.015 0.361 1.00 0.00 H new ATOM 355 N ASN A 24 3.209 -13.053 3.242 1.00 0.00 N ATOM 356 CA ASN A 24 3.282 -14.447 3.754 1.00 0.00 C ATOM 357 C ASN A 24 1.995 -15.141 3.338 1.00 0.00 C ATOM 358 O ASN A 24 2.005 -16.225 2.790 1.00 0.00 O ATOM 359 CB ASN A 24 3.383 -14.338 5.275 1.00 0.00 C ATOM 360 CG ASN A 24 4.764 -13.803 5.658 1.00 0.00 C ATOM 361 OD1 ASN A 24 5.404 -13.124 4.880 1.00 0.00 O ATOM 362 ND2 ASN A 24 5.256 -14.085 6.834 1.00 0.00 N ATOM 0 H ASN A 24 3.386 -12.316 3.925 1.00 0.00 H new ATOM 0 HA ASN A 24 4.131 -15.012 3.368 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.606 -13.675 5.655 1.00 0.00 H new ATOM 0 HB3 ASN A 24 3.220 -15.314 5.732 1.00 0.00 H new ATOM 0 HD21 ASN A 24 6.177 -13.735 7.099 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.719 -14.655 7.488 1.00 0.00 H new ATOM 369 N LYS A 25 0.879 -14.494 3.555 1.00 0.00 N ATOM 370 CA LYS A 25 -0.407 -15.095 3.122 1.00 0.00 C ATOM 371 C LYS A 25 -0.307 -15.407 1.636 1.00 0.00 C ATOM 372 O LYS A 25 -0.555 -16.512 1.195 1.00 0.00 O ATOM 373 CB LYS A 25 -1.469 -14.027 3.386 1.00 0.00 C ATOM 374 CG LYS A 25 -1.864 -14.051 4.864 1.00 0.00 C ATOM 375 CD LYS A 25 -2.640 -15.335 5.164 1.00 0.00 C ATOM 376 CE LYS A 25 -4.130 -15.105 4.905 1.00 0.00 C ATOM 377 NZ LYS A 25 -4.800 -16.345 5.385 1.00 0.00 N ATOM 0 H LYS A 25 0.807 -13.584 4.010 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.651 -16.018 3.648 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.084 -13.043 3.118 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.344 -14.208 2.762 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.974 -13.997 5.490 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.475 -13.180 5.102 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.273 -16.149 4.538 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.482 -15.634 6.200 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.493 -14.228 5.440 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.325 -14.935 3.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.827 -16.263 5.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.440 -17.163 4.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.602 -16.477 6.398 1.00 0.00 H new ATOM 391 N ILE A 26 0.082 -14.435 0.864 1.00 0.00 N ATOM 392 CA ILE A 26 0.232 -14.666 -0.603 1.00 0.00 C ATOM 393 C ILE A 26 1.109 -15.903 -0.829 1.00 0.00 C ATOM 394 O ILE A 26 1.064 -16.533 -1.866 1.00 0.00 O ATOM 395 CB ILE A 26 0.894 -13.384 -1.169 1.00 0.00 C ATOM 396 CG1 ILE A 26 -0.155 -12.552 -1.914 1.00 0.00 C ATOM 397 CG2 ILE A 26 2.031 -13.729 -2.141 1.00 0.00 C ATOM 398 CD1 ILE A 26 -0.942 -13.446 -2.877 1.00 0.00 C ATOM 0 H ILE A 26 0.303 -13.491 1.181 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.720 -14.851 -1.101 1.00 0.00 H new ATOM 0 HB ILE A 26 1.306 -12.819 -0.332 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.834 -12.084 -1.201 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.331 -11.748 -2.466 1.00 0.00 H new ATOM 0 HG21 ILE A 26 2.476 -12.810 -2.521 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.791 -14.311 -1.620 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.635 -14.311 -2.973 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.686 -12.848 -3.403 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.259 -13.893 -3.599 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.442 -14.235 -2.315 1.00 0.00 H new ATOM 410 N GLY A 27 1.903 -16.244 0.142 1.00 0.00 N ATOM 411 CA GLY A 27 2.791 -17.434 0.003 1.00 0.00 C ATOM 412 C GLY A 27 4.051 -17.044 -0.772 1.00 0.00 C ATOM 413 O GLY A 27 4.270 -17.486 -1.882 1.00 0.00 O ATOM 0 H GLY A 27 1.978 -15.750 1.031 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.061 -17.816 0.987 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.265 -18.235 -0.517 1.00 0.00 H new ATOM 417 N GLN A 28 4.883 -16.218 -0.196 1.00 0.00 N ATOM 418 CA GLN A 28 6.128 -15.800 -0.905 1.00 0.00 C ATOM 419 C GLN A 28 7.352 -16.036 -0.014 1.00 0.00 C ATOM 420 O GLN A 28 8.144 -16.925 -0.255 1.00 0.00 O ATOM 421 CB GLN A 28 5.946 -14.308 -1.180 1.00 0.00 C ATOM 422 CG GLN A 28 7.104 -13.803 -2.041 1.00 0.00 C ATOM 423 CD GLN A 28 6.909 -14.267 -3.486 1.00 0.00 C ATOM 424 OE1 GLN A 28 5.983 -14.996 -3.781 1.00 0.00 O ATOM 425 NE2 GLN A 28 7.747 -13.872 -4.405 1.00 0.00 N ATOM 0 H GLN A 28 4.755 -15.815 0.732 1.00 0.00 H new ATOM 0 HA GLN A 28 6.290 -16.367 -1.822 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.998 -14.134 -1.689 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.910 -13.756 -0.241 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.153 -12.715 -2.001 1.00 0.00 H new ATOM 0 HG3 GLN A 28 8.050 -14.179 -1.652 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.524 -13.260 -4.157 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.625 -14.175 -5.371 1.00 0.00 H new ATOM 486 N LEU A 32 10.218 -11.758 6.876 1.00 0.00 N ATOM 487 CA LEU A 32 10.221 -10.271 6.995 1.00 0.00 C ATOM 488 C LEU A 32 10.002 -9.626 5.624 1.00 0.00 C ATOM 489 O LEU A 32 10.106 -10.270 4.599 1.00 0.00 O ATOM 490 CB LEU A 32 11.611 -9.912 7.534 1.00 0.00 C ATOM 491 CG LEU A 32 12.051 -10.946 8.572 1.00 0.00 C ATOM 492 CD1 LEU A 32 13.355 -10.491 9.227 1.00 0.00 C ATOM 493 CD2 LEU A 32 10.966 -11.091 9.640 1.00 0.00 C ATOM 0 HA LEU A 32 9.424 -9.914 7.648 1.00 0.00 H new ATOM 0 HB2 LEU A 32 12.330 -9.877 6.715 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.591 -8.919 7.983 1.00 0.00 H new ATOM 0 HG LEU A 32 12.208 -11.907 8.082 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.667 -11.228 9.966 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.129 -10.390 8.466 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.200 -9.530 9.717 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.280 -11.828 10.380 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.807 -10.130 10.130 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.037 -11.418 9.173 1.00 0.00 H new ATOM 505 N THR A 33 9.705 -8.357 5.601 1.00 0.00 N ATOM 506 CA THR A 33 9.483 -7.662 4.301 1.00 0.00 C ATOM 507 C THR A 33 9.782 -6.167 4.450 1.00 0.00 C ATOM 508 O THR A 33 8.916 -5.333 4.282 1.00 0.00 O ATOM 509 CB THR A 33 8.003 -7.885 3.975 1.00 0.00 C ATOM 510 OG1 THR A 33 7.474 -8.888 4.831 1.00 0.00 O ATOM 511 CG2 THR A 33 7.859 -8.328 2.519 1.00 0.00 C ATOM 0 H THR A 33 9.606 -7.769 6.428 1.00 0.00 H new ATOM 0 HA THR A 33 10.132 -8.042 3.512 1.00 0.00 H new ATOM 0 HB THR A 33 7.456 -6.954 4.125 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.753 -9.365 4.369 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.805 -8.486 2.289 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.262 -7.557 1.862 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.407 -9.258 2.366 1.00 0.00 H new ATOM 519 N PHE A 34 11.001 -5.822 4.769 1.00 0.00 N ATOM 520 CA PHE A 34 11.350 -4.380 4.929 1.00 0.00 C ATOM 521 C PHE A 34 12.808 -4.232 5.376 1.00 0.00 C ATOM 522 O PHE A 34 13.104 -4.176 6.553 1.00 0.00 O ATOM 523 CB PHE A 34 10.403 -3.861 6.012 1.00 0.00 C ATOM 524 CG PHE A 34 10.887 -2.517 6.501 1.00 0.00 C ATOM 525 CD1 PHE A 34 11.308 -1.548 5.582 1.00 0.00 C ATOM 526 CD2 PHE A 34 10.915 -2.237 7.873 1.00 0.00 C ATOM 527 CE1 PHE A 34 11.758 -0.302 6.034 1.00 0.00 C ATOM 528 CE2 PHE A 34 11.365 -0.992 8.325 1.00 0.00 C ATOM 529 CZ PHE A 34 11.786 -0.023 7.405 1.00 0.00 C ATOM 0 H PHE A 34 11.769 -6.475 4.925 1.00 0.00 H new ATOM 0 HA PHE A 34 11.247 -3.826 3.996 1.00 0.00 H new ATOM 0 HB2 PHE A 34 9.392 -3.773 5.614 1.00 0.00 H new ATOM 0 HB3 PHE A 34 10.359 -4.567 6.841 1.00 0.00 H new ATOM 0 HD1 PHE A 34 11.285 -1.762 4.524 1.00 0.00 H new ATOM 0 HD2 PHE A 34 10.589 -2.983 8.583 1.00 0.00 H new ATOM 0 HE1 PHE A 34 12.084 0.444 5.324 1.00 0.00 H new ATOM 0 HE2 PHE A 34 11.388 -0.778 9.383 1.00 0.00 H new ATOM 0 HZ PHE A 34 12.132 0.939 7.754 1.00 0.00 H new ATOM 539 N ASN A 35 13.718 -4.169 4.444 1.00 0.00 N ATOM 540 CA ASN A 35 15.156 -4.028 4.814 1.00 0.00 C ATOM 541 C ASN A 35 15.725 -2.705 4.287 1.00 0.00 C ATOM 542 O ASN A 35 16.256 -1.908 5.036 1.00 0.00 O ATOM 543 CB ASN A 35 15.854 -5.212 4.145 1.00 0.00 C ATOM 544 CG ASN A 35 16.905 -5.790 5.094 1.00 0.00 C ATOM 545 OD1 ASN A 35 17.020 -5.361 6.225 1.00 0.00 O ATOM 546 ND2 ASN A 35 17.682 -6.752 4.680 1.00 0.00 N ATOM 0 H ASN A 35 13.529 -4.209 3.442 1.00 0.00 H new ATOM 0 HA ASN A 35 15.299 -4.021 5.895 1.00 0.00 H new ATOM 0 HB2 ASN A 35 15.124 -5.978 3.885 1.00 0.00 H new ATOM 0 HB3 ASN A 35 16.325 -4.892 3.216 1.00 0.00 H new ATOM 0 HD21 ASN A 35 18.386 -7.144 5.306 1.00 0.00 H new ATOM 0 HD22 ASN A 35 17.586 -7.112 3.731 1.00 0.00 H new ATOM 553 N LYS A 36 15.636 -2.468 3.004 1.00 0.00 N ATOM 554 CA LYS A 36 16.193 -1.202 2.442 1.00 0.00 C ATOM 555 C LYS A 36 15.366 0.016 2.885 1.00 0.00 C ATOM 556 O LYS A 36 15.513 0.492 3.992 1.00 0.00 O ATOM 557 CB LYS A 36 16.149 -1.381 0.924 1.00 0.00 C ATOM 558 CG LYS A 36 17.483 -1.962 0.450 1.00 0.00 C ATOM 559 CD LYS A 36 18.273 -0.886 -0.297 1.00 0.00 C ATOM 560 CE LYS A 36 18.853 0.112 0.709 1.00 0.00 C ATOM 561 NZ LYS A 36 20.325 -0.118 0.673 1.00 0.00 N ATOM 0 H LYS A 36 15.204 -3.093 2.324 1.00 0.00 H new ATOM 0 HA LYS A 36 17.207 -1.016 2.796 1.00 0.00 H new ATOM 0 HB2 LYS A 36 15.330 -2.045 0.647 1.00 0.00 H new ATOM 0 HB3 LYS A 36 15.962 -0.424 0.438 1.00 0.00 H new ATOM 0 HG2 LYS A 36 18.058 -2.324 1.303 1.00 0.00 H new ATOM 0 HG3 LYS A 36 17.308 -2.818 -0.202 1.00 0.00 H new ATOM 0 HD2 LYS A 36 19.076 -1.344 -0.875 1.00 0.00 H new ATOM 0 HD3 LYS A 36 17.625 -0.370 -1.005 1.00 0.00 H new ATOM 0 HE2 LYS A 36 18.607 1.138 0.435 1.00 0.00 H new ATOM 0 HE3 LYS A 36 18.451 -0.056 1.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 20.794 0.530 1.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 20.530 -1.101 0.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 20.680 0.056 -0.289 1.00 0.00 H new ATOM 575 N VAL A 37 14.515 0.544 2.036 1.00 0.00 N ATOM 576 CA VAL A 37 13.727 1.746 2.446 1.00 0.00 C ATOM 577 C VAL A 37 12.520 1.973 1.519 1.00 0.00 C ATOM 578 O VAL A 37 12.346 1.300 0.523 1.00 0.00 O ATOM 579 CB VAL A 37 14.735 2.899 2.328 1.00 0.00 C ATOM 580 CG1 VAL A 37 14.020 4.220 2.027 1.00 0.00 C ATOM 581 CG2 VAL A 37 15.503 3.030 3.643 1.00 0.00 C ATOM 0 H VAL A 37 14.335 0.200 1.093 1.00 0.00 H new ATOM 0 HA VAL A 37 13.308 1.647 3.447 1.00 0.00 H new ATOM 0 HB VAL A 37 15.421 2.681 1.509 1.00 0.00 H new ATOM 0 HG11 VAL A 37 14.754 5.021 1.948 1.00 0.00 H new ATOM 0 HG12 VAL A 37 13.475 4.133 1.087 1.00 0.00 H new ATOM 0 HG13 VAL A 37 13.321 4.447 2.832 1.00 0.00 H new ATOM 0 HG21 VAL A 37 16.220 3.847 3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.804 3.236 4.454 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.033 2.100 3.849 1.00 0.00 H new ATOM 591 N ILE A 38 11.695 2.935 1.854 1.00 0.00 N ATOM 592 CA ILE A 38 10.497 3.246 1.019 1.00 0.00 C ATOM 593 C ILE A 38 10.558 4.704 0.547 1.00 0.00 C ATOM 594 O ILE A 38 10.440 5.625 1.332 1.00 0.00 O ATOM 595 CB ILE A 38 9.300 3.021 1.956 1.00 0.00 C ATOM 596 CG1 ILE A 38 8.963 1.509 1.973 1.00 0.00 C ATOM 597 CG2 ILE A 38 8.106 3.874 1.486 1.00 0.00 C ATOM 598 CD1 ILE A 38 7.469 1.246 1.735 1.00 0.00 C ATOM 0 H ILE A 38 11.804 3.523 2.680 1.00 0.00 H new ATOM 0 HA ILE A 38 10.431 2.627 0.124 1.00 0.00 H new ATOM 0 HB ILE A 38 9.540 3.331 2.973 1.00 0.00 H new ATOM 0 HG12 ILE A 38 9.547 1.000 1.206 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.257 1.084 2.933 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.259 3.712 2.152 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.384 4.928 1.501 1.00 0.00 H new ATOM 0 HG23 ILE A 38 7.830 3.586 0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.281 0.173 1.756 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.885 1.732 2.517 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.179 1.647 0.764 1.00 0.00 H new ATOM 610 N ARG A 39 10.736 4.921 -0.728 1.00 0.00 N ATOM 611 CA ARG A 39 10.797 6.320 -1.238 1.00 0.00 C ATOM 612 C ARG A 39 9.671 6.576 -2.250 1.00 0.00 C ATOM 613 O ARG A 39 8.879 7.479 -2.063 1.00 0.00 O ATOM 614 CB ARG A 39 12.171 6.456 -1.895 1.00 0.00 C ATOM 615 CG ARG A 39 13.015 7.462 -1.112 1.00 0.00 C ATOM 616 CD ARG A 39 13.192 8.736 -1.942 1.00 0.00 C ATOM 617 NE ARG A 39 14.074 9.611 -1.120 1.00 0.00 N ATOM 618 CZ ARG A 39 15.286 9.224 -0.828 1.00 0.00 C ATOM 619 NH1 ARG A 39 16.276 9.518 -1.626 1.00 0.00 N ATOM 620 NH2 ARG A 39 15.508 8.541 0.263 1.00 0.00 N ATOM 0 H ARG A 39 10.841 4.194 -1.435 1.00 0.00 H new ATOM 0 HA ARG A 39 10.664 7.050 -0.440 1.00 0.00 H new ATOM 0 HB2 ARG A 39 12.671 5.488 -1.920 1.00 0.00 H new ATOM 0 HB3 ARG A 39 12.061 6.785 -2.928 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.532 7.697 -0.164 1.00 0.00 H new ATOM 0 HG3 ARG A 39 13.988 7.031 -0.876 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.644 8.517 -2.910 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.233 9.215 -2.139 1.00 0.00 H new ATOM 0 HE ARG A 39 13.731 10.512 -0.786 1.00 0.00 H new ATOM 0 HH11 ARG A 39 16.103 10.051 -2.479 1.00 0.00 H new ATOM 0 HH12 ARG A 39 17.223 9.215 -1.397 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.734 8.310 0.886 1.00 0.00 H new ATOM 0 HH22 ARG A 39 16.455 8.238 0.491 1.00 0.00 H new ATOM 634 N PRO A 40 9.624 5.783 -3.296 1.00 0.00 N ATOM 635 CA PRO A 40 8.576 5.959 -4.320 1.00 0.00 C ATOM 636 C PRO A 40 7.307 5.187 -3.942 1.00 0.00 C ATOM 637 O PRO A 40 6.731 4.474 -4.742 1.00 0.00 O ATOM 638 CB PRO A 40 9.220 5.395 -5.581 1.00 0.00 C ATOM 639 CG PRO A 40 10.270 4.428 -5.111 1.00 0.00 C ATOM 640 CD PRO A 40 10.516 4.670 -3.634 1.00 0.00 C ATOM 0 HA PRO A 40 8.258 6.995 -4.438 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.481 4.895 -6.207 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.662 6.189 -6.183 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.943 3.402 -5.278 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.192 4.564 -5.676 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.288 3.784 -3.042 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.558 4.923 -3.441 1.00 0.00 H new ATOM 648 N CYS A 41 6.863 5.336 -2.729 1.00 0.00 N ATOM 649 CA CYS A 41 5.621 4.627 -2.297 1.00 0.00 C ATOM 650 C CYS A 41 4.413 5.561 -2.424 1.00 0.00 C ATOM 651 O CYS A 41 4.376 6.625 -1.839 1.00 0.00 O ATOM 652 CB CYS A 41 5.855 4.253 -0.835 1.00 0.00 C ATOM 653 SG CYS A 41 6.241 5.742 0.122 1.00 0.00 S ATOM 0 H CYS A 41 7.303 5.917 -2.015 1.00 0.00 H new ATOM 0 HA CYS A 41 5.416 3.749 -2.909 1.00 0.00 H new ATOM 0 HB2 CYS A 41 4.969 3.767 -0.428 1.00 0.00 H new ATOM 0 HB3 CYS A 41 6.674 3.538 -0.759 1.00 0.00 H new ATOM 0 HG CYS A 41 5.782 6.788 -0.499 1.00 0.00 H new ATOM 659 N MET A 42 3.425 5.173 -3.185 1.00 0.00 N ATOM 660 CA MET A 42 2.222 6.041 -3.348 1.00 0.00 C ATOM 661 C MET A 42 0.964 5.295 -2.893 1.00 0.00 C ATOM 662 O MET A 42 0.972 4.092 -2.727 1.00 0.00 O ATOM 663 CB MET A 42 2.153 6.341 -4.845 1.00 0.00 C ATOM 664 CG MET A 42 3.133 7.464 -5.188 1.00 0.00 C ATOM 665 SD MET A 42 2.472 8.446 -6.557 1.00 0.00 S ATOM 666 CE MET A 42 3.178 7.465 -7.902 1.00 0.00 C ATOM 0 H MET A 42 3.398 4.293 -3.701 1.00 0.00 H new ATOM 0 HA MET A 42 2.285 6.950 -2.750 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.395 5.446 -5.417 1.00 0.00 H new ATOM 0 HB3 MET A 42 1.140 6.632 -5.122 1.00 0.00 H new ATOM 0 HG2 MET A 42 3.295 8.098 -4.317 1.00 0.00 H new ATOM 0 HG3 MET A 42 4.101 7.045 -5.462 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.891 7.900 -8.859 1.00 0.00 H new ATOM 0 HE2 MET A 42 4.265 7.460 -7.817 1.00 0.00 H new ATOM 0 HE3 MET A 42 2.805 6.443 -7.842 1.00 0.00 H new ATOM 676 N LYS A 43 -0.117 6.000 -2.691 1.00 0.00 N ATOM 677 CA LYS A 43 -1.372 5.325 -2.246 1.00 0.00 C ATOM 678 C LYS A 43 -2.591 5.981 -2.900 1.00 0.00 C ATOM 679 O LYS A 43 -2.628 7.177 -3.106 1.00 0.00 O ATOM 680 CB LYS A 43 -1.411 5.519 -0.732 1.00 0.00 C ATOM 681 CG LYS A 43 -2.788 5.118 -0.202 1.00 0.00 C ATOM 682 CD LYS A 43 -3.416 6.301 0.538 1.00 0.00 C ATOM 683 CE LYS A 43 -4.469 5.789 1.524 1.00 0.00 C ATOM 684 NZ LYS A 43 -4.416 6.738 2.670 1.00 0.00 N ATOM 0 H LYS A 43 -0.186 7.010 -2.814 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.392 4.271 -2.524 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.637 4.916 -0.257 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.202 6.559 -0.482 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.431 4.809 -1.026 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.696 4.263 0.468 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.646 6.860 1.070 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.874 6.987 -0.175 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.460 5.773 1.070 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.248 4.771 1.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.940 6.340 3.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.425 6.895 2.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.845 7.643 2.391 1.00 0.00 H new ATOM 698 N LYS A 44 -3.591 5.207 -3.225 1.00 0.00 N ATOM 699 CA LYS A 44 -4.806 5.790 -3.863 1.00 0.00 C ATOM 700 C LYS A 44 -6.052 4.994 -3.462 1.00 0.00 C ATOM 701 O LYS A 44 -5.970 3.843 -3.081 1.00 0.00 O ATOM 702 CB LYS A 44 -4.558 5.678 -5.367 1.00 0.00 C ATOM 703 CG LYS A 44 -3.475 6.676 -5.782 1.00 0.00 C ATOM 704 CD LYS A 44 -3.837 7.289 -7.136 1.00 0.00 C ATOM 705 CE LYS A 44 -2.558 7.559 -7.932 1.00 0.00 C ATOM 706 NZ LYS A 44 -3.018 7.793 -9.330 1.00 0.00 N ATOM 0 H LYS A 44 -3.619 4.198 -3.077 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.978 6.821 -3.554 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.249 4.664 -5.621 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.480 5.877 -5.914 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.380 7.459 -5.030 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.509 6.175 -5.844 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.488 6.613 -7.691 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.391 8.217 -6.991 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.025 8.426 -7.541 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.873 6.713 -7.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.197 7.985 -9.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.516 6.949 -9.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.663 8.608 -9.351 1.00 0.00 H new ATOM 720 N THR A 45 -7.205 5.596 -3.544 1.00 0.00 N ATOM 721 CA THR A 45 -8.450 4.870 -3.169 1.00 0.00 C ATOM 722 C THR A 45 -9.629 5.380 -3.999 1.00 0.00 C ATOM 723 O THR A 45 -9.667 6.524 -4.409 1.00 0.00 O ATOM 724 CB THR A 45 -8.661 5.180 -1.680 1.00 0.00 C ATOM 725 OG1 THR A 45 -7.856 4.310 -0.901 1.00 0.00 O ATOM 726 CG2 THR A 45 -10.134 4.981 -1.302 1.00 0.00 C ATOM 0 H THR A 45 -7.339 6.558 -3.854 1.00 0.00 H new ATOM 0 HA THR A 45 -8.374 3.798 -3.353 1.00 0.00 H new ATOM 0 HB THR A 45 -8.381 6.216 -1.489 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.102 3.992 -1.440 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.271 5.204 -0.244 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.756 5.650 -1.897 1.00 0.00 H new ATOM 0 HG23 THR A 45 -10.423 3.948 -1.496 1.00 0.00 H new ATOM 734 N ILE A 46 -10.603 4.547 -4.217 1.00 0.00 N ATOM 735 CA ILE A 46 -11.799 4.976 -4.981 1.00 0.00 C ATOM 736 C ILE A 46 -13.007 4.754 -4.089 1.00 0.00 C ATOM 737 O ILE A 46 -14.013 4.224 -4.496 1.00 0.00 O ATOM 738 CB ILE A 46 -11.850 4.066 -6.201 1.00 0.00 C ATOM 739 CG1 ILE A 46 -13.090 4.404 -7.029 1.00 0.00 C ATOM 740 CG2 ILE A 46 -11.921 2.609 -5.739 1.00 0.00 C ATOM 741 CD1 ILE A 46 -12.675 5.205 -8.263 1.00 0.00 C ATOM 0 H ILE A 46 -10.621 3.579 -3.895 1.00 0.00 H new ATOM 0 HA ILE A 46 -11.776 6.022 -5.287 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.957 4.211 -6.809 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -13.600 3.489 -7.331 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -13.795 4.979 -6.429 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.958 1.953 -6.609 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -11.039 2.373 -5.143 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -12.817 2.462 -5.135 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -13.558 5.446 -8.854 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -12.184 6.127 -7.950 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -11.986 4.614 -8.866 1.00 0.00 H new ATOM 898 N GLY A 55 -13.662 1.465 -2.397 1.00 0.00 N ATOM 899 CA GLY A 55 -12.491 0.540 -2.308 1.00 0.00 C ATOM 900 C GLY A 55 -11.204 1.293 -1.983 1.00 0.00 C ATOM 901 O GLY A 55 -11.209 2.472 -1.700 1.00 0.00 O ATOM 0 HA2 GLY A 55 -12.677 -0.211 -1.541 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -12.374 0.009 -3.252 1.00 0.00 H new ATOM 905 N TYR A 56 -10.095 0.599 -2.019 1.00 0.00 N ATOM 906 CA TYR A 56 -8.787 1.241 -1.711 1.00 0.00 C ATOM 907 C TYR A 56 -7.640 0.433 -2.332 1.00 0.00 C ATOM 908 O TYR A 56 -7.298 -0.635 -1.866 1.00 0.00 O ATOM 909 CB TYR A 56 -8.692 1.218 -0.184 1.00 0.00 C ATOM 910 CG TYR A 56 -7.264 1.472 0.248 1.00 0.00 C ATOM 911 CD1 TYR A 56 -6.406 2.221 -0.566 1.00 0.00 C ATOM 912 CD2 TYR A 56 -6.802 0.957 1.465 1.00 0.00 C ATOM 913 CE1 TYR A 56 -5.086 2.454 -0.163 1.00 0.00 C ATOM 914 CE2 TYR A 56 -5.482 1.191 1.868 1.00 0.00 C ATOM 915 CZ TYR A 56 -4.624 1.940 1.054 1.00 0.00 C ATOM 916 OH TYR A 56 -3.322 2.169 1.450 1.00 0.00 O ATOM 0 H TYR A 56 -10.042 -0.393 -2.251 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.716 2.252 -2.113 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -9.350 1.976 0.241 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -9.030 0.254 0.195 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -6.762 2.619 -1.505 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -7.464 0.379 2.093 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -4.424 3.031 -0.792 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -5.126 0.794 2.807 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.165 1.744 2.319 1.00 0.00 H new ATOM 926 N GLU A 57 -7.037 0.942 -3.372 1.00 0.00 N ATOM 927 CA GLU A 57 -5.904 0.212 -4.013 1.00 0.00 C ATOM 928 C GLU A 57 -4.633 1.058 -3.894 1.00 0.00 C ATOM 929 O GLU A 57 -4.655 2.250 -4.123 1.00 0.00 O ATOM 930 CB GLU A 57 -6.311 0.051 -5.479 1.00 0.00 C ATOM 931 CG GLU A 57 -6.218 1.405 -6.188 1.00 0.00 C ATOM 932 CD GLU A 57 -6.625 1.243 -7.652 1.00 0.00 C ATOM 933 OE1 GLU A 57 -6.445 0.159 -8.181 1.00 0.00 O ATOM 934 OE2 GLU A 57 -7.110 2.207 -8.222 1.00 0.00 O ATOM 0 H GLU A 57 -7.280 1.832 -3.806 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.703 -0.753 -3.548 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.661 -0.674 -5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.328 -0.336 -5.545 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.867 2.130 -5.697 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.201 1.792 -6.123 1.00 0.00 H new ATOM 941 N TYR A 58 -3.528 0.472 -3.521 1.00 0.00 N ATOM 942 CA TYR A 58 -2.292 1.303 -3.380 1.00 0.00 C ATOM 943 C TYR A 58 -1.084 0.681 -4.083 1.00 0.00 C ATOM 944 O TYR A 58 -1.055 -0.493 -4.399 1.00 0.00 O ATOM 945 CB TYR A 58 -2.060 1.423 -1.858 1.00 0.00 C ATOM 946 CG TYR A 58 -0.878 0.582 -1.388 1.00 0.00 C ATOM 947 CD1 TYR A 58 -0.772 -0.767 -1.757 1.00 0.00 C ATOM 948 CD2 TYR A 58 0.098 1.149 -0.557 1.00 0.00 C ATOM 949 CE1 TYR A 58 0.303 -1.537 -1.301 1.00 0.00 C ATOM 950 CE2 TYR A 58 1.165 0.372 -0.096 1.00 0.00 C ATOM 951 CZ TYR A 58 1.268 -0.970 -0.468 1.00 0.00 C ATOM 952 OH TYR A 58 2.323 -1.734 -0.012 1.00 0.00 O ATOM 0 H TYR A 58 -3.424 -0.521 -3.312 1.00 0.00 H new ATOM 0 HA TYR A 58 -2.417 2.276 -3.855 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -1.886 2.468 -1.600 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -2.960 1.110 -1.329 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -1.522 -1.212 -2.394 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.026 2.188 -0.272 1.00 0.00 H new ATOM 0 HE1 TYR A 58 0.386 -2.573 -1.594 1.00 0.00 H new ATOM 0 HE2 TYR A 58 1.911 0.811 0.549 1.00 0.00 H new ATOM 0 HH TYR A 58 2.546 -2.416 -0.680 1.00 0.00 H new ATOM 962 N GLN A 59 -0.075 1.480 -4.278 1.00 0.00 N ATOM 963 CA GLN A 59 1.180 1.000 -4.910 1.00 0.00 C ATOM 964 C GLN A 59 2.350 1.486 -4.054 1.00 0.00 C ATOM 965 O GLN A 59 2.483 2.665 -3.791 1.00 0.00 O ATOM 966 CB GLN A 59 1.208 1.646 -6.296 1.00 0.00 C ATOM 967 CG GLN A 59 0.116 1.025 -7.170 1.00 0.00 C ATOM 968 CD GLN A 59 -0.475 2.096 -8.088 1.00 0.00 C ATOM 969 OE1 GLN A 59 -0.035 2.265 -9.208 1.00 0.00 O ATOM 970 NE2 GLN A 59 -1.461 2.835 -7.657 1.00 0.00 N ATOM 0 H GLN A 59 -0.069 2.467 -4.020 1.00 0.00 H new ATOM 0 HA GLN A 59 1.243 -0.085 -4.991 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.053 2.722 -6.211 1.00 0.00 H new ATOM 0 HB3 GLN A 59 2.185 1.500 -6.757 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.530 0.210 -7.764 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.666 0.596 -6.543 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -1.831 2.694 -6.717 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -1.861 3.553 -8.260 1.00 0.00 H new ATOM 979 N LEU A 60 3.187 0.601 -3.599 1.00 0.00 N ATOM 980 CA LEU A 60 4.323 1.040 -2.743 1.00 0.00 C ATOM 981 C LEU A 60 5.638 0.645 -3.393 1.00 0.00 C ATOM 982 O LEU A 60 6.271 -0.321 -3.015 1.00 0.00 O ATOM 983 CB LEU A 60 4.118 0.312 -1.414 1.00 0.00 C ATOM 984 CG LEU A 60 5.314 0.550 -0.490 1.00 0.00 C ATOM 985 CD1 LEU A 60 4.973 1.657 0.510 1.00 0.00 C ATOM 986 CD2 LEU A 60 5.627 -0.734 0.277 1.00 0.00 C ATOM 0 H LEU A 60 3.136 -0.402 -3.780 1.00 0.00 H new ATOM 0 HA LEU A 60 4.356 2.120 -2.603 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.204 0.664 -0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.994 -0.756 -1.592 1.00 0.00 H new ATOM 0 HG LEU A 60 6.178 0.844 -1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.825 1.827 1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.742 2.576 -0.029 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.109 1.358 1.104 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.479 -0.566 0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.760 -1.023 0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.865 -1.530 -0.428 1.00 0.00 H new ATOM 998 N TYR A 61 6.053 1.391 -4.373 1.00 0.00 N ATOM 999 CA TYR A 61 7.325 1.073 -5.056 1.00 0.00 C ATOM 1000 C TYR A 61 8.491 1.439 -4.138 1.00 0.00 C ATOM 1001 O TYR A 61 8.717 2.591 -3.830 1.00 0.00 O ATOM 1002 CB TYR A 61 7.281 1.926 -6.319 1.00 0.00 C ATOM 1003 CG TYR A 61 8.667 2.071 -6.907 1.00 0.00 C ATOM 1004 CD1 TYR A 61 9.639 1.092 -6.668 1.00 0.00 C ATOM 1005 CD2 TYR A 61 8.976 3.186 -7.697 1.00 0.00 C ATOM 1006 CE1 TYR A 61 10.920 1.229 -7.217 1.00 0.00 C ATOM 1007 CE2 TYR A 61 10.257 3.321 -8.246 1.00 0.00 C ATOM 1008 CZ TYR A 61 11.229 2.343 -8.006 1.00 0.00 C ATOM 1009 OH TYR A 61 12.491 2.476 -8.547 1.00 0.00 O ATOM 0 H TYR A 61 5.561 2.210 -4.730 1.00 0.00 H new ATOM 0 HA TYR A 61 7.456 0.019 -5.300 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.615 1.469 -7.051 1.00 0.00 H new ATOM 0 HB3 TYR A 61 6.873 2.910 -6.087 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.401 0.231 -6.060 1.00 0.00 H new ATOM 0 HD2 TYR A 61 8.226 3.941 -7.882 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.670 0.474 -7.031 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.495 4.180 -8.855 1.00 0.00 H new ATOM 0 HH TYR A 61 12.538 3.304 -9.068 1.00 0.00 H new ATOM 1019 N VAL A 62 9.215 0.454 -3.680 1.00 0.00 N ATOM 1020 CA VAL A 62 10.353 0.709 -2.758 1.00 0.00 C ATOM 1021 C VAL A 62 11.299 -0.484 -2.788 1.00 0.00 C ATOM 1022 O VAL A 62 11.250 -1.310 -3.680 1.00 0.00 O ATOM 1023 CB VAL A 62 9.716 0.828 -1.375 1.00 0.00 C ATOM 1024 CG1 VAL A 62 8.766 2.024 -1.341 1.00 0.00 C ATOM 1025 CG2 VAL A 62 8.933 -0.449 -1.071 1.00 0.00 C ATOM 0 H VAL A 62 9.062 -0.528 -3.910 1.00 0.00 H new ATOM 0 HA VAL A 62 10.922 1.599 -3.027 1.00 0.00 H new ATOM 0 HB VAL A 62 10.498 0.970 -0.629 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.315 2.103 -0.352 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.321 2.936 -1.560 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.983 1.888 -2.087 1.00 0.00 H new ATOM 0 HG21 VAL A 62 8.476 -0.369 -0.085 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.155 -0.586 -1.822 1.00 0.00 H new ATOM 0 HG23 VAL A 62 9.609 -1.304 -1.090 1.00 0.00 H new ATOM 1035 N TYR A 63 12.144 -0.596 -1.811 1.00 0.00 N ATOM 1036 CA TYR A 63 13.073 -1.755 -1.772 1.00 0.00 C ATOM 1037 C TYR A 63 13.133 -2.324 -0.360 1.00 0.00 C ATOM 1038 O TYR A 63 13.109 -1.600 0.615 1.00 0.00 O ATOM 1039 CB TYR A 63 14.436 -1.213 -2.188 1.00 0.00 C ATOM 1040 CG TYR A 63 15.297 -2.365 -2.644 1.00 0.00 C ATOM 1041 CD1 TYR A 63 15.656 -3.373 -1.741 1.00 0.00 C ATOM 1042 CD2 TYR A 63 15.733 -2.425 -3.971 1.00 0.00 C ATOM 1043 CE1 TYR A 63 16.452 -4.442 -2.169 1.00 0.00 C ATOM 1044 CE2 TYR A 63 16.530 -3.494 -4.399 1.00 0.00 C ATOM 1045 CZ TYR A 63 16.890 -4.503 -3.497 1.00 0.00 C ATOM 1046 OH TYR A 63 17.675 -5.556 -3.918 1.00 0.00 O ATOM 0 H TYR A 63 12.234 0.062 -1.037 1.00 0.00 H new ATOM 0 HA TYR A 63 12.748 -2.558 -2.434 1.00 0.00 H new ATOM 0 HB2 TYR A 63 14.324 -0.484 -2.991 1.00 0.00 H new ATOM 0 HB3 TYR A 63 14.908 -0.696 -1.352 1.00 0.00 H new ATOM 0 HD1 TYR A 63 15.319 -3.326 -0.716 1.00 0.00 H new ATOM 0 HD2 TYR A 63 15.455 -1.647 -4.666 1.00 0.00 H new ATOM 0 HE1 TYR A 63 16.729 -5.221 -1.474 1.00 0.00 H new ATOM 0 HE2 TYR A 63 16.867 -3.540 -5.424 1.00 0.00 H new ATOM 0 HH TYR A 63 17.457 -6.356 -3.396 1.00 0.00 H new ATOM 1056 N ALA A 64 13.201 -3.616 -0.241 1.00 0.00 N ATOM 1057 CA ALA A 64 13.253 -4.231 1.109 1.00 0.00 C ATOM 1058 C ALA A 64 14.260 -5.389 1.121 1.00 0.00 C ATOM 1059 O ALA A 64 15.443 -5.188 0.930 1.00 0.00 O ATOM 1060 CB ALA A 64 11.831 -4.725 1.349 1.00 0.00 C ATOM 0 H ALA A 64 13.223 -4.274 -1.020 1.00 0.00 H new ATOM 0 HA ALA A 64 13.578 -3.538 1.885 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.771 -5.198 2.329 1.00 0.00 H new ATOM 0 HB2 ALA A 64 11.141 -3.882 1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 64 11.563 -5.449 0.580 1.00 0.00 H new ATOM 1066 N SER A 65 13.806 -6.596 1.337 1.00 0.00 N ATOM 1067 CA SER A 65 14.739 -7.757 1.345 1.00 0.00 C ATOM 1068 C SER A 65 14.452 -8.644 0.131 1.00 0.00 C ATOM 1069 O SER A 65 15.350 -9.160 -0.505 1.00 0.00 O ATOM 1070 CB SER A 65 14.436 -8.505 2.643 1.00 0.00 C ATOM 1071 OG SER A 65 14.936 -9.831 2.549 1.00 0.00 O ATOM 0 H SER A 65 12.827 -6.826 1.508 1.00 0.00 H new ATOM 0 HA SER A 65 15.786 -7.458 1.293 1.00 0.00 H new ATOM 0 HB2 SER A 65 14.894 -7.991 3.488 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.361 -8.521 2.824 1.00 0.00 H new ATOM 0 HG SER A 65 14.744 -10.313 3.381 1.00 0.00 H new ATOM 1077 N ASP A 66 13.200 -8.807 -0.198 1.00 0.00 N ATOM 1078 CA ASP A 66 12.831 -9.642 -1.377 1.00 0.00 C ATOM 1079 C ASP A 66 11.909 -8.844 -2.305 1.00 0.00 C ATOM 1080 O ASP A 66 11.494 -9.316 -3.345 1.00 0.00 O ATOM 1081 CB ASP A 66 12.096 -10.850 -0.795 1.00 0.00 C ATOM 1082 CG ASP A 66 11.082 -10.377 0.248 1.00 0.00 C ATOM 1083 OD1 ASP A 66 11.508 -9.850 1.263 1.00 0.00 O ATOM 1084 OD2 ASP A 66 9.897 -10.550 0.013 1.00 0.00 O ATOM 0 H ASP A 66 12.412 -8.395 0.302 1.00 0.00 H new ATOM 0 HA ASP A 66 13.698 -9.944 -1.964 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.588 -11.397 -1.589 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.808 -11.538 -0.339 1.00 0.00 H new ATOM 1089 N LYS A 67 11.591 -7.634 -1.931 1.00 0.00 N ATOM 1090 CA LYS A 67 10.701 -6.788 -2.778 1.00 0.00 C ATOM 1091 C LYS A 67 11.526 -5.700 -3.468 1.00 0.00 C ATOM 1092 O LYS A 67 11.817 -4.666 -2.902 1.00 0.00 O ATOM 1093 CB LYS A 67 9.694 -6.189 -1.791 1.00 0.00 C ATOM 1094 CG LYS A 67 9.227 -4.806 -2.260 1.00 0.00 C ATOM 1095 CD LYS A 67 9.933 -3.729 -1.435 1.00 0.00 C ATOM 1096 CE LYS A 67 9.067 -3.367 -0.229 1.00 0.00 C ATOM 1097 NZ LYS A 67 7.741 -3.015 -0.808 1.00 0.00 N ATOM 0 H LYS A 67 11.912 -7.192 -1.069 1.00 0.00 H new ATOM 0 HA LYS A 67 10.202 -7.345 -3.571 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.836 -6.853 -1.693 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.150 -6.108 -0.804 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.450 -4.674 -3.319 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.146 -4.717 -2.148 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.907 -4.089 -1.103 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.112 -2.845 -2.047 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.986 -4.203 0.466 1.00 0.00 H new ATOM 0 HE3 LYS A 67 9.491 -2.531 0.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.334 -2.216 -0.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 7.858 -2.749 -1.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 7.104 -3.834 -0.740 1.00 0.00 H new ATOM 1111 N LEU A 68 11.895 -5.929 -4.690 1.00 0.00 N ATOM 1112 CA LEU A 68 12.691 -4.915 -5.440 1.00 0.00 C ATOM 1113 C LEU A 68 11.771 -4.132 -6.371 1.00 0.00 C ATOM 1114 O LEU A 68 11.947 -4.145 -7.573 1.00 0.00 O ATOM 1115 CB LEU A 68 13.694 -5.726 -6.260 1.00 0.00 C ATOM 1116 CG LEU A 68 14.822 -6.215 -5.351 1.00 0.00 C ATOM 1117 CD1 LEU A 68 14.380 -7.488 -4.628 1.00 0.00 C ATOM 1118 CD2 LEU A 68 16.063 -6.516 -6.196 1.00 0.00 C ATOM 0 H LEU A 68 11.680 -6.780 -5.210 1.00 0.00 H new ATOM 0 HA LEU A 68 13.184 -4.201 -4.780 1.00 0.00 H new ATOM 0 HB2 LEU A 68 13.195 -6.575 -6.727 1.00 0.00 H new ATOM 0 HB3 LEU A 68 14.101 -5.114 -7.065 1.00 0.00 H new ATOM 0 HG LEU A 68 15.057 -5.443 -4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 68 15.184 -7.836 -3.980 1.00 0.00 H new ATOM 0 HD12 LEU A 68 13.496 -7.277 -4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 68 14.145 -8.260 -5.361 1.00 0.00 H new ATOM 0 HD21 LEU A 68 16.868 -6.865 -5.549 1.00 0.00 H new ATOM 0 HD22 LEU A 68 15.826 -7.288 -6.928 1.00 0.00 H new ATOM 0 HD23 LEU A 68 16.380 -5.610 -6.713 1.00 0.00 H new ATOM 1130 N PHE A 69 10.782 -3.457 -5.838 1.00 0.00 N ATOM 1131 CA PHE A 69 9.852 -2.694 -6.716 1.00 0.00 C ATOM 1132 C PHE A 69 8.628 -2.237 -5.920 1.00 0.00 C ATOM 1133 O PHE A 69 8.750 -1.450 -5.020 1.00 0.00 O ATOM 1134 CB PHE A 69 9.455 -3.652 -7.844 1.00 0.00 C ATOM 1135 CG PHE A 69 9.324 -5.068 -7.311 1.00 0.00 C ATOM 1136 CD1 PHE A 69 8.779 -5.302 -6.040 1.00 0.00 C ATOM 1137 CD2 PHE A 69 9.766 -6.149 -8.086 1.00 0.00 C ATOM 1138 CE1 PHE A 69 8.678 -6.609 -5.550 1.00 0.00 C ATOM 1139 CE2 PHE A 69 9.663 -7.456 -7.593 1.00 0.00 C ATOM 1140 CZ PHE A 69 9.119 -7.685 -6.326 1.00 0.00 C ATOM 0 H PHE A 69 10.582 -3.404 -4.839 1.00 0.00 H new ATOM 0 HA PHE A 69 10.318 -1.794 -7.117 1.00 0.00 H new ATOM 0 HB2 PHE A 69 8.511 -3.333 -8.285 1.00 0.00 H new ATOM 0 HB3 PHE A 69 10.203 -3.622 -8.636 1.00 0.00 H new ATOM 0 HD1 PHE A 69 8.437 -4.473 -5.439 1.00 0.00 H new ATOM 0 HD2 PHE A 69 10.187 -5.974 -9.065 1.00 0.00 H new ATOM 0 HE1 PHE A 69 8.259 -6.787 -4.571 1.00 0.00 H new ATOM 0 HE2 PHE A 69 10.004 -8.287 -8.192 1.00 0.00 H new ATOM 0 HZ PHE A 69 9.039 -8.693 -5.947 1.00 0.00 H new ATOM 1150 N ARG A 70 7.444 -2.701 -6.233 1.00 0.00 N ATOM 1151 CA ARG A 70 6.259 -2.221 -5.465 1.00 0.00 C ATOM 1152 C ARG A 70 5.480 -3.346 -4.804 1.00 0.00 C ATOM 1153 O ARG A 70 5.297 -4.416 -5.352 1.00 0.00 O ATOM 1154 CB ARG A 70 5.357 -1.568 -6.507 1.00 0.00 C ATOM 1155 CG ARG A 70 4.050 -1.082 -5.847 1.00 0.00 C ATOM 1156 CD ARG A 70 2.919 -1.116 -6.880 1.00 0.00 C ATOM 1157 NE ARG A 70 3.513 -0.561 -8.130 1.00 0.00 N ATOM 1158 CZ ARG A 70 2.967 0.473 -8.710 1.00 0.00 C ATOM 1159 NH1 ARG A 70 1.925 0.313 -9.480 1.00 0.00 N ATOM 1160 NH2 ARG A 70 3.464 1.664 -8.524 1.00 0.00 N ATOM 0 H ARG A 70 7.250 -3.377 -6.972 1.00 0.00 H new ATOM 0 HA ARG A 70 6.584 -1.556 -4.665 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.873 -0.728 -6.971 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.130 -2.280 -7.300 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.801 -1.716 -4.997 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.177 -0.070 -5.463 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.557 -2.133 -7.034 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.067 -0.521 -6.551 1.00 0.00 H new ATOM 0 HE ARG A 70 4.347 -0.990 -8.532 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.538 -0.619 -9.628 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.497 1.120 -9.934 1.00 0.00 H new ATOM 0 HH21 ARG A 70 4.280 1.788 -7.925 1.00 0.00 H new ATOM 0 HH22 ARG A 70 3.037 2.471 -8.978 1.00 0.00 H new ATOM 1174 N ALA A 71 4.949 -3.060 -3.655 1.00 0.00 N ATOM 1175 CA ALA A 71 4.090 -4.038 -2.956 1.00 0.00 C ATOM 1176 C ALA A 71 2.668 -3.501 -3.084 1.00 0.00 C ATOM 1177 O ALA A 71 2.335 -2.485 -2.507 1.00 0.00 O ATOM 1178 CB ALA A 71 4.553 -4.034 -1.500 1.00 0.00 C ATOM 0 H ALA A 71 5.077 -2.175 -3.165 1.00 0.00 H new ATOM 0 HA ALA A 71 4.138 -5.053 -3.351 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.954 -4.741 -0.926 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.603 -4.324 -1.451 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.433 -3.034 -1.083 1.00 0.00 H new ATOM 1184 N ASP A 72 1.843 -4.120 -3.879 1.00 0.00 N ATOM 1185 CA ASP A 72 0.472 -3.573 -4.061 1.00 0.00 C ATOM 1186 C ASP A 72 -0.500 -4.165 -3.042 1.00 0.00 C ATOM 1187 O ASP A 72 -0.248 -5.189 -2.442 1.00 0.00 O ATOM 1188 CB ASP A 72 0.068 -3.976 -5.479 1.00 0.00 C ATOM 1189 CG ASP A 72 -0.882 -2.926 -6.058 1.00 0.00 C ATOM 1190 OD1 ASP A 72 -0.394 -1.947 -6.598 1.00 0.00 O ATOM 1191 OD2 ASP A 72 -2.083 -3.119 -5.950 1.00 0.00 O ATOM 0 H ASP A 72 2.054 -4.969 -4.404 1.00 0.00 H new ATOM 0 HA ASP A 72 0.450 -2.493 -3.914 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.953 -4.067 -6.108 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -0.416 -4.952 -5.467 1.00 0.00 H new ATOM 1196 N ILE A 73 -1.619 -3.521 -2.865 1.00 0.00 N ATOM 1197 CA ILE A 73 -2.649 -4.019 -1.911 1.00 0.00 C ATOM 1198 C ILE A 73 -4.008 -3.470 -2.336 1.00 0.00 C ATOM 1199 O ILE A 73 -4.337 -2.328 -2.082 1.00 0.00 O ATOM 1200 CB ILE A 73 -2.240 -3.491 -0.525 1.00 0.00 C ATOM 1201 CG1 ILE A 73 -1.432 -4.565 0.205 1.00 0.00 C ATOM 1202 CG2 ILE A 73 -3.485 -3.160 0.310 1.00 0.00 C ATOM 1203 CD1 ILE A 73 -2.340 -5.757 0.516 1.00 0.00 C ATOM 0 H ILE A 73 -1.867 -2.658 -3.348 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.719 -5.107 -1.892 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.643 -2.588 -0.656 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.591 -4.885 -0.410 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.016 -4.159 1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -3.179 -2.788 1.288 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.073 -2.398 -0.201 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.088 -4.059 0.437 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.767 -6.525 1.036 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.166 -5.430 1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.734 -6.166 -0.414 1.00 0.00 H new ATOM 1215 N SER A 74 -4.796 -4.270 -2.981 1.00 0.00 N ATOM 1216 CA SER A 74 -6.131 -3.791 -3.425 1.00 0.00 C ATOM 1217 C SER A 74 -7.202 -4.268 -2.442 1.00 0.00 C ATOM 1218 O SER A 74 -7.062 -5.300 -1.817 1.00 0.00 O ATOM 1219 CB SER A 74 -6.341 -4.421 -4.800 1.00 0.00 C ATOM 1220 OG SER A 74 -6.740 -3.416 -5.723 1.00 0.00 O ATOM 0 H SER A 74 -4.577 -5.237 -3.222 1.00 0.00 H new ATOM 0 HA SER A 74 -6.194 -2.704 -3.467 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.421 -4.897 -5.139 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.101 -5.201 -4.743 1.00 0.00 H new ATOM 0 HG SER A 74 -6.874 -3.818 -6.607 1.00 0.00 H new ATOM 1226 N GLU A 75 -8.265 -3.531 -2.294 1.00 0.00 N ATOM 1227 CA GLU A 75 -9.330 -3.960 -1.339 1.00 0.00 C ATOM 1228 C GLU A 75 -10.586 -3.113 -1.517 1.00 0.00 C ATOM 1229 O GLU A 75 -10.563 -1.911 -1.346 1.00 0.00 O ATOM 1230 CB GLU A 75 -8.727 -3.723 0.046 1.00 0.00 C ATOM 1231 CG GLU A 75 -8.609 -5.051 0.792 1.00 0.00 C ATOM 1232 CD GLU A 75 -9.362 -4.960 2.122 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -8.785 -4.458 3.072 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -10.501 -5.394 2.166 1.00 0.00 O ATOM 0 H GLU A 75 -8.445 -2.656 -2.787 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.625 -4.998 -1.495 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.745 -3.260 -0.049 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.352 -3.032 0.612 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.018 -5.859 0.185 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -7.560 -5.287 0.971 1.00 0.00 H new ATOM 1241 N ASP A 76 -11.690 -3.726 -1.846 1.00 0.00 N ATOM 1242 CA ASP A 76 -12.941 -2.930 -2.013 1.00 0.00 C ATOM 1243 C ASP A 76 -13.298 -2.249 -0.686 1.00 0.00 C ATOM 1244 O ASP A 76 -12.434 -1.953 0.113 1.00 0.00 O ATOM 1245 CB ASP A 76 -14.010 -3.940 -2.413 1.00 0.00 C ATOM 1246 CG ASP A 76 -14.560 -3.584 -3.794 1.00 0.00 C ATOM 1247 OD1 ASP A 76 -13.759 -3.372 -4.692 1.00 0.00 O ATOM 1248 OD2 ASP A 76 -15.772 -3.529 -3.932 1.00 0.00 O ATOM 0 H ASP A 76 -11.781 -4.729 -2.005 1.00 0.00 H new ATOM 0 HA ASP A 76 -12.841 -2.143 -2.761 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -13.588 -4.945 -2.426 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -14.816 -3.942 -1.679 1.00 0.00 H new ATOM 1365 N LYS A 83 -9.531 -8.718 -1.260 1.00 0.00 N ATOM 1366 CA LYS A 83 -8.259 -8.277 -0.615 1.00 0.00 C ATOM 1367 C LYS A 83 -7.089 -8.993 -1.299 1.00 0.00 C ATOM 1368 O LYS A 83 -7.162 -10.172 -1.584 1.00 0.00 O ATOM 1369 CB LYS A 83 -8.375 -8.710 0.848 1.00 0.00 C ATOM 1370 CG LYS A 83 -9.686 -8.190 1.440 1.00 0.00 C ATOM 1371 CD LYS A 83 -10.793 -9.223 1.216 1.00 0.00 C ATOM 1372 CE LYS A 83 -11.471 -9.542 2.550 1.00 0.00 C ATOM 1373 NZ LYS A 83 -11.265 -11.004 2.745 1.00 0.00 N ATOM 0 HA LYS A 83 -8.090 -7.203 -0.695 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -8.339 -9.797 0.919 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.530 -8.325 1.419 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.565 -7.997 2.506 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -9.958 -7.243 0.973 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.526 -8.839 0.506 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.375 -10.131 0.782 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.029 -8.969 3.365 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.532 -9.293 2.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.703 -11.300 3.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -11.702 -11.524 1.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.246 -11.210 2.773 1.00 0.00 H new ATOM 1387 N LEU A 84 -6.018 -8.303 -1.578 1.00 0.00 N ATOM 1388 CA LEU A 84 -4.871 -8.972 -2.257 1.00 0.00 C ATOM 1389 C LEU A 84 -3.654 -8.046 -2.291 1.00 0.00 C ATOM 1390 O LEU A 84 -3.766 -6.854 -2.097 1.00 0.00 O ATOM 1391 CB LEU A 84 -5.374 -9.249 -3.676 1.00 0.00 C ATOM 1392 CG LEU A 84 -4.206 -9.683 -4.564 1.00 0.00 C ATOM 1393 CD1 LEU A 84 -4.740 -10.470 -5.761 1.00 0.00 C ATOM 1394 CD2 LEU A 84 -3.458 -8.444 -5.064 1.00 0.00 C ATOM 0 H LEU A 84 -5.887 -7.314 -1.368 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.557 -9.880 -1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.137 -10.028 -3.656 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.842 -8.355 -4.087 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.527 -10.312 -3.988 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.908 -10.779 -6.394 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.274 -11.352 -5.408 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.419 -9.841 -6.336 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.626 -8.752 -5.697 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.138 -7.816 -5.639 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.077 -7.881 -4.212 1.00 0.00 H new ATOM 1406 N LEU A 85 -2.495 -8.587 -2.549 1.00 0.00 N ATOM 1407 CA LEU A 85 -1.272 -7.739 -2.610 1.00 0.00 C ATOM 1408 C LEU A 85 -0.274 -8.346 -3.605 1.00 0.00 C ATOM 1409 O LEU A 85 -0.364 -9.508 -3.953 1.00 0.00 O ATOM 1410 CB LEU A 85 -0.736 -7.720 -1.163 1.00 0.00 C ATOM 1411 CG LEU A 85 0.662 -8.343 -1.072 1.00 0.00 C ATOM 1412 CD1 LEU A 85 1.299 -7.963 0.264 1.00 0.00 C ATOM 1413 CD2 LEU A 85 0.550 -9.864 -1.170 1.00 0.00 C ATOM 0 H LEU A 85 -2.342 -9.581 -2.720 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.460 -6.725 -2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.702 -6.693 -0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.421 -8.265 -0.513 1.00 0.00 H new ATOM 0 HG LEU A 85 1.281 -7.973 -1.889 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.293 -8.405 0.332 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.378 -6.878 0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.680 -8.335 1.081 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.544 -10.307 -1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.067 -10.237 -0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.093 -10.135 -2.122 1.00 0.00 H new ATOM 1425 N ARG A 86 0.667 -7.573 -4.077 1.00 0.00 N ATOM 1426 CA ARG A 86 1.647 -8.125 -5.056 1.00 0.00 C ATOM 1427 C ARG A 86 3.001 -7.416 -4.947 1.00 0.00 C ATOM 1428 O ARG A 86 3.079 -6.244 -4.644 1.00 0.00 O ATOM 1429 CB ARG A 86 1.022 -7.861 -6.425 1.00 0.00 C ATOM 1430 CG ARG A 86 1.026 -6.359 -6.710 1.00 0.00 C ATOM 1431 CD ARG A 86 1.892 -6.074 -7.940 1.00 0.00 C ATOM 1432 NE ARG A 86 1.246 -6.831 -9.048 1.00 0.00 N ATOM 1433 CZ ARG A 86 1.526 -6.538 -10.288 1.00 0.00 C ATOM 1434 NH1 ARG A 86 2.698 -6.054 -10.596 1.00 0.00 N ATOM 1435 NH2 ARG A 86 0.634 -6.730 -11.221 1.00 0.00 N ATOM 0 H ARG A 86 0.799 -6.592 -3.830 1.00 0.00 H new ATOM 0 HA ARG A 86 1.839 -9.183 -4.879 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.579 -8.390 -7.198 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.002 -8.243 -6.450 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.008 -6.008 -6.880 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.411 -5.816 -5.847 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.928 -5.007 -8.159 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.920 -6.402 -7.784 1.00 0.00 H new ATOM 0 HE ARG A 86 0.585 -7.578 -8.837 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.396 -5.905 -9.867 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.916 -5.825 -11.566 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.282 -7.109 -10.981 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.853 -6.501 -12.191 1.00 0.00 H new ATOM 1449 N PHE A 87 4.062 -8.128 -5.208 1.00 0.00 N ATOM 1450 CA PHE A 87 5.426 -7.520 -5.142 1.00 0.00 C ATOM 1451 C PHE A 87 6.130 -7.740 -6.483 1.00 0.00 C ATOM 1452 O PHE A 87 6.799 -8.736 -6.677 1.00 0.00 O ATOM 1453 CB PHE A 87 6.166 -8.276 -4.023 1.00 0.00 C ATOM 1454 CG PHE A 87 5.202 -8.690 -2.932 1.00 0.00 C ATOM 1455 CD1 PHE A 87 4.341 -9.776 -3.135 1.00 0.00 C ATOM 1456 CD2 PHE A 87 5.166 -7.988 -1.720 1.00 0.00 C ATOM 1457 CE1 PHE A 87 3.447 -10.160 -2.129 1.00 0.00 C ATOM 1458 CE2 PHE A 87 4.270 -8.373 -0.717 1.00 0.00 C ATOM 1459 CZ PHE A 87 3.413 -9.457 -0.922 1.00 0.00 C ATOM 0 H PHE A 87 4.045 -9.114 -5.467 1.00 0.00 H new ATOM 0 HA PHE A 87 5.397 -6.449 -4.943 1.00 0.00 H new ATOM 0 HB2 PHE A 87 6.657 -9.157 -4.435 1.00 0.00 H new ATOM 0 HB3 PHE A 87 6.948 -7.642 -3.604 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.367 -10.318 -4.069 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.829 -7.151 -1.560 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.784 -10.998 -2.285 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.241 -7.832 0.217 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.723 -9.752 -0.146 1.00 0.00 H new ATOM 1469 N ASN A 88 5.990 -6.835 -7.421 1.00 0.00 N ATOM 1470 CA ASN A 88 6.668 -7.046 -8.738 1.00 0.00 C ATOM 1471 C ASN A 88 6.953 -5.718 -9.421 1.00 0.00 C ATOM 1472 O ASN A 88 7.242 -4.736 -8.781 1.00 0.00 O ATOM 1473 CB ASN A 88 5.712 -7.858 -9.603 1.00 0.00 C ATOM 1474 CG ASN A 88 4.931 -8.860 -8.747 1.00 0.00 C ATOM 1475 OD1 ASN A 88 3.658 -8.666 -8.536 1.00 0.00 O flip ATOM 1476 ND2 ASN A 88 5.486 -9.829 -8.268 1.00 0.00 N flip ATOM 0 H ASN A 88 5.447 -5.976 -7.336 1.00 0.00 H new ATOM 0 HA ASN A 88 7.619 -7.559 -8.592 1.00 0.00 H new ATOM 0 HB2 ASN A 88 5.019 -7.190 -10.114 1.00 0.00 H new ATOM 0 HB3 ASN A 88 6.271 -8.388 -10.374 1.00 0.00 H new ATOM 0 HD21 ASN A 88 6.481 -9.980 -8.433 1.00 0.00 H new ATOM 0 HD22 ASN A 88 4.957 -10.491 -7.701 1.00 0.00 H new ATOM 1483 N GLY A 89 6.894 -5.687 -10.726 1.00 0.00 N ATOM 1484 CA GLY A 89 7.197 -4.420 -11.437 1.00 0.00 C ATOM 1485 C GLY A 89 8.627 -4.050 -11.077 1.00 0.00 C ATOM 1486 O GLY A 89 8.896 -2.965 -10.600 1.00 0.00 O ATOM 0 H GLY A 89 6.651 -6.478 -11.322 1.00 0.00 H new ATOM 0 HA2 GLY A 89 7.089 -4.545 -12.514 1.00 0.00 H new ATOM 0 HA3 GLY A 89 6.506 -3.632 -11.137 1.00 0.00 H new ATOM 1490 N PRO A 90 9.497 -5.001 -11.284 1.00 0.00 N ATOM 1491 CA PRO A 90 10.922 -4.818 -10.940 1.00 0.00 C ATOM 1492 C PRO A 90 11.577 -3.762 -11.833 1.00 0.00 C ATOM 1493 O PRO A 90 11.372 -3.728 -13.030 1.00 0.00 O ATOM 1494 CB PRO A 90 11.531 -6.200 -11.164 1.00 0.00 C ATOM 1495 CG PRO A 90 10.617 -6.862 -12.141 1.00 0.00 C ATOM 1496 CD PRO A 90 9.238 -6.324 -11.864 1.00 0.00 C ATOM 0 HA PRO A 90 11.068 -4.459 -9.921 1.00 0.00 H new ATOM 0 HB2 PRO A 90 12.545 -6.127 -11.557 1.00 0.00 H new ATOM 0 HB3 PRO A 90 11.590 -6.763 -10.232 1.00 0.00 H new ATOM 0 HG2 PRO A 90 10.920 -6.645 -13.165 1.00 0.00 H new ATOM 0 HG3 PRO A 90 10.642 -7.945 -12.024 1.00 0.00 H new ATOM 0 HD2 PRO A 90 8.644 -6.254 -12.775 1.00 0.00 H new ATOM 0 HD3 PRO A 90 8.688 -6.964 -11.174 1.00 0.00 H new ATOM 1504 N VAL A 91 12.365 -2.899 -11.252 1.00 0.00 N ATOM 1505 CA VAL A 91 13.036 -1.839 -12.042 1.00 0.00 C ATOM 1506 C VAL A 91 14.111 -2.451 -12.947 1.00 0.00 C ATOM 1507 O VAL A 91 13.955 -3.599 -13.326 1.00 0.00 O ATOM 1508 CB VAL A 91 13.669 -0.939 -10.986 1.00 0.00 C ATOM 1509 CG1 VAL A 91 12.643 -0.624 -9.896 1.00 0.00 C ATOM 1510 CG2 VAL A 91 14.871 -1.654 -10.360 1.00 0.00 C ATOM 0 H VAL A 91 12.572 -2.887 -10.253 1.00 0.00 H new ATOM 0 HA VAL A 91 12.352 -1.299 -12.696 1.00 0.00 H new ATOM 0 HB VAL A 91 13.998 -0.011 -11.454 1.00 0.00 H new ATOM 0 HG11 VAL A 91 13.098 0.019 -9.143 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.787 -0.115 -10.338 1.00 0.00 H new ATOM 0 HG13 VAL A 91 12.312 -1.552 -9.429 1.00 0.00 H new ATOM 0 HG21 VAL A 91 15.324 -1.011 -9.605 1.00 0.00 H new ATOM 0 HG22 VAL A 91 14.540 -2.583 -9.895 1.00 0.00 H new ATOM 0 HG23 VAL A 91 15.605 -1.877 -11.134 1.00 0.00 H new