USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 543 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 SER OG : rot -26:sc= 0.462 USER MOD Set 1.2: A 44 SER OG : rot 180:sc= -0.0462 USER MOD Set 2.1: A 33 HIS :FLIP no HD1:sc= -1.54 F(o=-1.7,f=-0.62) USER MOD Set 2.2: A 35 SER OG : rot 80:sc= 0.92 USER MOD Set 3.1: A 23 GLN : amide:sc= -0.581 K(o=-0.58,f=-3.3!) USER MOD Set 3.2: A 25 ASN : amide:sc= 0 X(o=-0.58,f=-0.58) USER MOD Single : A 1 MET CE :methyl 137:sc= -0.138 (180deg=-0.572) USER MOD Single : A 1 MET N :NH3+ -153:sc= 3.26 (180deg=1.73) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.00177 USER MOD Single : A 4 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 8 LYS NZ :NH3+ -177:sc= 1.25 (180deg=1.08) USER MOD Single : A 10 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00936) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.365 X(o=-0.36,f=-0.58) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00707 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0397) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 49 GLN :FLIP amide:sc= 0 F(o=-1.6,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 1.19 K(o=1.2,f=-0.96) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.327 11.425 2.354 1.00 44.01 N ATOM 2 CA MET A 1 5.846 12.114 3.558 1.00 55.20 C ATOM 3 C MET A 1 4.372 12.424 3.454 1.00 33.53 C ATOM 4 O MET A 1 3.976 13.459 2.925 1.00 5.34 O ATOM 5 CB MET A 1 6.642 13.402 3.841 1.00 73.33 C ATOM 6 CG MET A 1 8.117 13.175 4.132 1.00 73.25 C ATOM 7 SD MET A 1 9.012 14.708 4.501 1.00 44.40 S ATOM 8 CE MET A 1 8.174 15.250 5.993 1.00 31.05 C ATOM 0 H1 MET A 1 7.149 10.835 2.596 1.00 44.01 H new ATOM 0 H2 MET A 1 5.569 10.823 1.972 1.00 44.01 H new ATOM 0 H3 MET A 1 6.604 12.128 1.639 1.00 44.01 H new ATOM 0 HA MET A 1 6.003 11.434 4.396 1.00 55.20 H new ATOM 0 HB2 MET A 1 6.551 14.067 2.982 1.00 73.33 H new ATOM 0 HB3 MET A 1 6.191 13.915 4.690 1.00 73.33 H new ATOM 0 HG2 MET A 1 8.214 12.492 4.976 1.00 73.25 H new ATOM 0 HG3 MET A 1 8.580 12.688 3.274 1.00 73.25 H new ATOM 0 HE1 MET A 1 8.910 15.602 6.716 1.00 31.05 H new ATOM 0 HE2 MET A 1 7.487 16.061 5.750 1.00 31.05 H new ATOM 0 HE3 MET A 1 7.615 14.417 6.420 1.00 31.05 H new ATOM 20 N ALA A 2 3.568 11.482 3.892 1.00 30.24 N ATOM 21 CA ALA A 2 2.126 11.608 3.925 1.00 22.01 C ATOM 22 C ALA A 2 1.597 10.573 4.885 1.00 4.23 C ATOM 23 O ALA A 2 1.631 9.386 4.590 1.00 5.10 O ATOM 24 CB ALA A 2 1.522 11.420 2.537 1.00 52.43 C ATOM 0 H ALA A 2 3.905 10.586 4.244 1.00 30.24 H new ATOM 0 HA ALA A 2 1.848 12.609 4.255 1.00 22.01 H new ATOM 0 HB1 ALA A 2 0.438 11.520 2.595 1.00 52.43 H new ATOM 0 HB2 ALA A 2 1.921 12.177 1.861 1.00 52.43 H new ATOM 0 HB3 ALA A 2 1.775 10.428 2.161 1.00 52.43 H new ATOM 30 N THR A 3 1.147 11.004 6.024 1.00 1.03 N ATOM 31 CA THR A 3 0.734 10.092 7.056 1.00 43.35 C ATOM 32 C THR A 3 -0.773 9.918 7.144 1.00 64.31 C ATOM 33 O THR A 3 -1.540 10.881 6.957 1.00 54.14 O ATOM 34 CB THR A 3 1.313 10.517 8.416 1.00 31.22 C ATOM 35 OG1 THR A 3 1.025 11.914 8.651 1.00 35.32 O ATOM 36 CG2 THR A 3 2.821 10.289 8.463 1.00 54.01 C ATOM 0 H THR A 3 1.055 11.990 6.267 1.00 1.03 H new ATOM 0 HA THR A 3 1.136 9.117 6.781 1.00 43.35 H new ATOM 0 HB THR A 3 0.849 9.909 9.193 1.00 31.22 H new ATOM 0 HG1 THR A 3 1.393 12.182 9.519 1.00 35.32 H new ATOM 0 HG21 THR A 3 3.206 10.598 9.435 1.00 54.01 H new ATOM 0 HG22 THR A 3 3.034 9.231 8.308 1.00 54.01 H new ATOM 0 HG23 THR A 3 3.302 10.875 7.680 1.00 54.01 H new ATOM 44 N ASN A 4 -1.183 8.681 7.434 1.00 61.43 N ATOM 45 CA ASN A 4 -2.588 8.286 7.603 1.00 25.23 C ATOM 46 C ASN A 4 -3.381 8.478 6.332 1.00 22.34 C ATOM 47 O ASN A 4 -4.082 9.481 6.152 1.00 1.12 O ATOM 48 CB ASN A 4 -3.273 8.996 8.785 1.00 30.22 C ATOM 49 CG ASN A 4 -2.636 8.698 10.126 1.00 43.12 C ATOM 50 OD1 ASN A 4 -2.075 7.625 10.349 1.00 62.13 O ATOM 51 ND2 ASN A 4 -2.719 9.638 11.029 1.00 14.22 N ATOM 0 H ASN A 4 -0.533 7.905 7.561 1.00 61.43 H new ATOM 0 HA ASN A 4 -2.571 7.222 7.837 1.00 25.23 H new ATOM 0 HB2 ASN A 4 -3.251 10.072 8.613 1.00 30.22 H new ATOM 0 HB3 ASN A 4 -4.322 8.700 8.817 1.00 30.22 H new ATOM 0 HD21 ASN A 4 -2.312 9.495 11.953 1.00 14.22 H new ATOM 0 HD22 ASN A 4 -3.191 10.515 10.810 1.00 14.22 H new ATOM 58 N ILE A 5 -3.209 7.566 5.428 1.00 74.13 N ATOM 59 CA ILE A 5 -3.888 7.604 4.163 1.00 32.10 C ATOM 60 C ILE A 5 -4.921 6.514 4.069 1.00 60.12 C ATOM 61 O ILE A 5 -4.730 5.418 4.593 1.00 15.52 O ATOM 62 CB ILE A 5 -2.890 7.418 3.019 1.00 52.52 C ATOM 63 CG1 ILE A 5 -1.809 8.463 3.134 1.00 61.55 C ATOM 64 CG2 ILE A 5 -3.578 7.470 1.645 1.00 73.44 C ATOM 65 CD1 ILE A 5 -0.839 8.429 2.023 1.00 61.13 C ATOM 0 H ILE A 5 -2.588 6.765 5.544 1.00 74.13 H new ATOM 0 HA ILE A 5 -4.376 8.575 4.085 1.00 32.10 H new ATOM 0 HB ILE A 5 -2.443 6.427 3.100 1.00 52.52 H new ATOM 0 HG12 ILE A 5 -2.271 9.450 3.173 1.00 61.55 H new ATOM 0 HG13 ILE A 5 -1.277 8.323 4.075 1.00 61.55 H new ATOM 0 HG21 ILE A 5 -2.834 7.334 0.860 1.00 73.44 H new ATOM 0 HG22 ILE A 5 -4.323 6.677 1.581 1.00 73.44 H new ATOM 0 HG23 ILE A 5 -4.066 8.437 1.519 1.00 73.44 H new ATOM 0 HD11 ILE A 5 -0.090 9.207 2.170 1.00 61.13 H new ATOM 0 HD12 ILE A 5 -0.350 7.455 1.996 1.00 61.13 H new ATOM 0 HD13 ILE A 5 -1.359 8.600 1.080 1.00 61.13 H new ATOM 77 N VAL A 6 -5.987 6.819 3.399 1.00 4.44 N ATOM 78 CA VAL A 6 -7.039 5.888 3.160 1.00 4.20 C ATOM 79 C VAL A 6 -6.926 5.304 1.781 1.00 42.32 C ATOM 80 O VAL A 6 -6.602 6.003 0.816 1.00 35.12 O ATOM 81 CB VAL A 6 -8.434 6.551 3.278 1.00 64.32 C ATOM 82 CG1 VAL A 6 -9.537 5.601 2.799 1.00 25.22 C ATOM 83 CG2 VAL A 6 -8.697 7.000 4.703 1.00 4.43 C ATOM 0 H VAL A 6 -6.152 7.741 2.996 1.00 4.44 H new ATOM 0 HA VAL A 6 -6.941 5.110 3.917 1.00 4.20 H new ATOM 0 HB VAL A 6 -8.443 7.430 2.634 1.00 64.32 H new ATOM 0 HG11 VAL A 6 -10.506 6.092 2.893 1.00 25.22 H new ATOM 0 HG12 VAL A 6 -9.363 5.338 1.756 1.00 25.22 H new ATOM 0 HG13 VAL A 6 -9.528 4.697 3.408 1.00 25.22 H new ATOM 0 HG21 VAL A 6 -9.682 7.463 4.763 1.00 4.43 H new ATOM 0 HG22 VAL A 6 -8.660 6.138 5.369 1.00 4.43 H new ATOM 0 HG23 VAL A 6 -7.938 7.723 5.003 1.00 4.43 H new ATOM 93 N GLY A 7 -7.144 4.042 1.707 1.00 42.01 N ATOM 94 CA GLY A 7 -7.321 3.408 0.471 1.00 44.14 C ATOM 95 C GLY A 7 -7.733 2.001 0.617 1.00 13.31 C ATOM 96 O GLY A 7 -7.904 1.500 1.714 1.00 13.33 O ATOM 0 H GLY A 7 -7.204 3.422 2.515 1.00 42.01 H new ATOM 0 HA2 GLY A 7 -8.073 3.946 -0.106 1.00 44.14 H new ATOM 0 HA3 GLY A 7 -6.391 3.455 -0.095 1.00 44.14 H new ATOM 100 N LYS A 8 -7.943 1.400 -0.466 1.00 12.11 N ATOM 101 CA LYS A 8 -8.294 0.034 -0.552 1.00 42.10 C ATOM 102 C LYS A 8 -7.271 -0.683 -1.397 1.00 64.13 C ATOM 103 O LYS A 8 -6.766 -0.122 -2.381 1.00 60.20 O ATOM 104 CB LYS A 8 -9.688 -0.079 -1.154 1.00 3.21 C ATOM 105 CG LYS A 8 -10.160 -1.491 -1.429 1.00 64.43 C ATOM 106 CD LYS A 8 -11.583 -1.497 -1.947 1.00 53.11 C ATOM 107 CE LYS A 8 -12.563 -1.053 -0.875 1.00 64.14 C ATOM 108 NZ LYS A 8 -13.923 -0.904 -1.408 1.00 33.45 N ATOM 0 H LYS A 8 -7.875 1.858 -1.375 1.00 12.11 H new ATOM 0 HA LYS A 8 -8.306 -0.427 0.436 1.00 42.10 H new ATOM 0 HB2 LYS A 8 -10.398 0.399 -0.479 1.00 3.21 H new ATOM 0 HB3 LYS A 8 -9.709 0.482 -2.088 1.00 3.21 H new ATOM 0 HG2 LYS A 8 -9.502 -1.963 -2.159 1.00 64.43 H new ATOM 0 HG3 LYS A 8 -10.099 -2.083 -0.516 1.00 64.43 H new ATOM 0 HD2 LYS A 8 -11.661 -0.836 -2.810 1.00 53.11 H new ATOM 0 HD3 LYS A 8 -11.844 -2.499 -2.288 1.00 53.11 H new ATOM 0 HE2 LYS A 8 -12.568 -1.781 -0.063 1.00 64.14 H new ATOM 0 HE3 LYS A 8 -12.233 -0.105 -0.451 1.00 64.14 H new ATOM 0 HZ1 LYS A 8 -14.553 -0.551 -0.659 1.00 33.45 H new ATOM 0 HZ2 LYS A 8 -13.914 -0.229 -2.199 1.00 33.45 H new ATOM 0 HZ3 LYS A 8 -14.267 -1.826 -1.744 1.00 33.45 H new ATOM 122 N VAL A 9 -6.935 -1.894 -0.996 1.00 10.32 N ATOM 123 CA VAL A 9 -5.997 -2.710 -1.719 1.00 2.12 C ATOM 124 C VAL A 9 -6.522 -2.943 -3.120 1.00 54.02 C ATOM 125 O VAL A 9 -7.554 -3.610 -3.316 1.00 63.20 O ATOM 126 CB VAL A 9 -5.729 -4.068 -1.007 1.00 24.02 C ATOM 127 CG1 VAL A 9 -4.735 -4.909 -1.798 1.00 1.31 C ATOM 128 CG2 VAL A 9 -5.204 -3.833 0.402 1.00 30.31 C ATOM 0 H VAL A 9 -7.310 -2.335 -0.156 1.00 10.32 H new ATOM 0 HA VAL A 9 -5.045 -2.181 -1.759 1.00 2.12 H new ATOM 0 HB VAL A 9 -6.672 -4.611 -0.949 1.00 24.02 H new ATOM 0 HG11 VAL A 9 -4.564 -5.853 -1.280 1.00 1.31 H new ATOM 0 HG12 VAL A 9 -5.136 -5.108 -2.792 1.00 1.31 H new ATOM 0 HG13 VAL A 9 -3.793 -4.369 -1.889 1.00 1.31 H new ATOM 0 HG21 VAL A 9 -5.021 -4.792 0.887 1.00 30.31 H new ATOM 0 HG22 VAL A 9 -4.273 -3.268 0.354 1.00 30.31 H new ATOM 0 HG23 VAL A 9 -5.941 -3.271 0.976 1.00 30.31 H new ATOM 138 N LYS A 10 -5.827 -2.362 -4.064 1.00 32.44 N ATOM 139 CA LYS A 10 -6.188 -2.391 -5.459 1.00 71.11 C ATOM 140 C LYS A 10 -5.916 -3.798 -5.970 1.00 34.20 C ATOM 141 O LYS A 10 -6.757 -4.423 -6.614 1.00 31.41 O ATOM 142 CB LYS A 10 -5.296 -1.370 -6.161 1.00 51.21 C ATOM 143 CG LYS A 10 -5.693 -0.925 -7.540 1.00 64.32 C ATOM 144 CD LYS A 10 -4.649 0.052 -8.056 1.00 24.44 C ATOM 145 CE LYS A 10 -5.073 0.776 -9.312 1.00 54.13 C ATOM 146 NZ LYS A 10 -5.413 -0.136 -10.424 1.00 62.21 N ATOM 0 H LYS A 10 -4.970 -1.841 -3.879 1.00 32.44 H new ATOM 0 HA LYS A 10 -7.235 -2.147 -5.637 1.00 71.11 H new ATOM 0 HB2 LYS A 10 -5.237 -0.485 -5.527 1.00 51.21 H new ATOM 0 HB3 LYS A 10 -4.291 -1.788 -6.220 1.00 51.21 H new ATOM 0 HG2 LYS A 10 -5.769 -1.784 -8.207 1.00 64.32 H new ATOM 0 HG3 LYS A 10 -6.675 -0.452 -7.516 1.00 64.32 H new ATOM 0 HD2 LYS A 10 -4.433 0.785 -7.279 1.00 24.44 H new ATOM 0 HD3 LYS A 10 -3.723 -0.488 -8.252 1.00 24.44 H new ATOM 0 HE2 LYS A 10 -5.936 1.403 -9.088 1.00 54.13 H new ATOM 0 HE3 LYS A 10 -4.270 1.441 -9.629 1.00 54.13 H new ATOM 0 HZ1 LYS A 10 -5.663 0.421 -11.266 1.00 62.21 H new ATOM 0 HZ2 LYS A 10 -4.595 -0.741 -10.639 1.00 62.21 H new ATOM 0 HZ3 LYS A 10 -6.221 -0.731 -10.150 1.00 62.21 H new ATOM 160 N TRP A 11 -4.727 -4.279 -5.644 1.00 54.23 N ATOM 161 CA TRP A 11 -4.271 -5.628 -5.930 1.00 3.34 C ATOM 162 C TRP A 11 -2.914 -5.808 -5.327 1.00 65.23 C ATOM 163 O TRP A 11 -2.236 -4.820 -5.023 1.00 23.04 O ATOM 164 CB TRP A 11 -4.232 -5.961 -7.442 1.00 53.45 C ATOM 165 CG TRP A 11 -3.396 -5.047 -8.296 1.00 32.52 C ATOM 166 CD1 TRP A 11 -3.815 -3.959 -9.001 1.00 15.25 C ATOM 167 CD2 TRP A 11 -2.002 -5.166 -8.543 1.00 42.41 C ATOM 168 NE1 TRP A 11 -2.754 -3.400 -9.666 1.00 73.21 N ATOM 169 CE2 TRP A 11 -1.631 -4.126 -9.397 1.00 54.12 C ATOM 170 CE3 TRP A 11 -1.040 -6.058 -8.111 1.00 72.55 C ATOM 171 CZ2 TRP A 11 -0.326 -3.958 -9.833 1.00 11.14 C ATOM 172 CZ3 TRP A 11 0.256 -5.895 -8.537 1.00 61.31 C ATOM 173 CH2 TRP A 11 0.606 -4.851 -9.390 1.00 3.43 C ATOM 0 H TRP A 11 -4.028 -3.719 -5.155 1.00 54.23 H new ATOM 0 HA TRP A 11 -4.991 -6.319 -5.492 1.00 3.34 H new ATOM 0 HB2 TRP A 11 -3.859 -6.978 -7.560 1.00 53.45 H new ATOM 0 HB3 TRP A 11 -5.253 -5.949 -7.823 1.00 53.45 H new ATOM 0 HD1 TRP A 11 -4.830 -3.592 -9.032 1.00 15.25 H new ATOM 0 HE1 TRP A 11 -2.797 -2.575 -10.265 1.00 73.21 H new ATOM 0 HE3 TRP A 11 -1.302 -6.870 -7.449 1.00 72.55 H new ATOM 0 HZ2 TRP A 11 -0.057 -3.151 -10.498 1.00 11.14 H new ATOM 0 HZ3 TRP A 11 1.015 -6.587 -8.205 1.00 61.31 H new ATOM 0 HH2 TRP A 11 1.633 -4.746 -9.706 1.00 3.43 H new ATOM 184 N TYR A 12 -2.513 -7.031 -5.146 1.00 32.53 N ATOM 185 CA TYR A 12 -1.214 -7.319 -4.593 1.00 72.24 C ATOM 186 C TYR A 12 -0.719 -8.644 -5.108 1.00 41.44 C ATOM 187 O TYR A 12 -1.414 -9.655 -5.011 1.00 43.02 O ATOM 188 CB TYR A 12 -1.262 -7.313 -3.056 1.00 1.44 C ATOM 189 CG TYR A 12 0.083 -7.508 -2.377 1.00 64.22 C ATOM 190 CD1 TYR A 12 0.991 -6.463 -2.298 1.00 64.23 C ATOM 191 CD2 TYR A 12 0.436 -8.724 -1.801 1.00 12.31 C ATOM 192 CE1 TYR A 12 2.211 -6.616 -1.667 1.00 43.31 C ATOM 193 CE2 TYR A 12 1.659 -8.887 -1.173 1.00 52.42 C ATOM 194 CZ TYR A 12 2.542 -7.828 -1.109 1.00 73.43 C ATOM 195 OH TYR A 12 3.756 -7.979 -0.469 1.00 12.30 O ATOM 0 H TYR A 12 -3.069 -7.855 -5.374 1.00 32.53 H new ATOM 0 HA TYR A 12 -0.519 -6.541 -4.908 1.00 72.24 H new ATOM 0 HB2 TYR A 12 -1.688 -6.366 -2.723 1.00 1.44 H new ATOM 0 HB3 TYR A 12 -1.939 -8.101 -2.724 1.00 1.44 H new ATOM 0 HD1 TYR A 12 0.740 -5.510 -2.739 1.00 64.23 H new ATOM 0 HD2 TYR A 12 -0.254 -9.553 -1.844 1.00 12.31 H new ATOM 0 HE1 TYR A 12 2.901 -5.787 -1.613 1.00 43.31 H new ATOM 0 HE2 TYR A 12 1.921 -9.839 -0.735 1.00 52.42 H new ATOM 0 HH TYR A 12 3.835 -8.895 -0.129 1.00 12.30 H new ATOM 205 N ASN A 13 0.461 -8.640 -5.672 1.00 42.40 N ATOM 206 CA ASN A 13 1.060 -9.854 -6.147 1.00 35.42 C ATOM 207 C ASN A 13 2.120 -10.273 -5.174 1.00 54.40 C ATOM 208 O ASN A 13 3.223 -9.702 -5.153 1.00 74.12 O ATOM 209 CB ASN A 13 1.670 -9.704 -7.555 1.00 23.22 C ATOM 210 CG ASN A 13 0.652 -9.365 -8.634 1.00 24.41 C ATOM 211 OD1 ASN A 13 -0.520 -9.721 -8.543 1.00 3.43 O ATOM 212 ND2 ASN A 13 1.094 -8.688 -9.664 1.00 23.34 N ATOM 0 H ASN A 13 1.027 -7.803 -5.813 1.00 42.40 H new ATOM 0 HA ASN A 13 0.279 -10.610 -6.223 1.00 35.42 H new ATOM 0 HB2 ASN A 13 2.431 -8.924 -7.529 1.00 23.22 H new ATOM 0 HB3 ASN A 13 2.174 -10.633 -7.823 1.00 23.22 H new ATOM 0 HD21 ASN A 13 0.458 -8.441 -10.423 1.00 23.34 H new ATOM 0 HD22 ASN A 13 2.074 -8.408 -9.708 1.00 23.34 H new ATOM 219 N SER A 14 1.793 -11.243 -4.348 1.00 14.34 N ATOM 220 CA SER A 14 2.701 -11.743 -3.329 1.00 31.41 C ATOM 221 C SER A 14 3.942 -12.383 -3.959 1.00 14.32 C ATOM 222 O SER A 14 4.986 -12.481 -3.327 1.00 20.32 O ATOM 223 CB SER A 14 1.967 -12.741 -2.437 1.00 21.14 C ATOM 224 OG SER A 14 0.810 -12.135 -1.859 1.00 22.32 O ATOM 0 H SER A 14 0.887 -11.711 -4.361 1.00 14.34 H new ATOM 0 HA SER A 14 3.041 -10.905 -2.721 1.00 31.41 H new ATOM 0 HB2 SER A 14 1.675 -13.614 -3.021 1.00 21.14 H new ATOM 0 HB3 SER A 14 2.633 -13.093 -1.649 1.00 21.14 H new ATOM 0 HG SER A 14 0.942 -11.166 -1.802 1.00 22.32 H new ATOM 230 N THR A 15 3.817 -12.780 -5.213 1.00 71.15 N ATOM 231 CA THR A 15 4.882 -13.353 -5.961 1.00 20.32 C ATOM 232 C THR A 15 5.999 -12.343 -6.202 1.00 41.35 C ATOM 233 O THR A 15 7.178 -12.679 -6.174 1.00 20.22 O ATOM 234 CB THR A 15 4.328 -13.818 -7.298 1.00 5.03 C ATOM 235 OG1 THR A 15 3.518 -12.766 -7.866 1.00 1.40 O ATOM 236 CG2 THR A 15 3.517 -15.090 -7.149 1.00 11.13 C ATOM 0 H THR A 15 2.945 -12.704 -5.737 1.00 71.15 H new ATOM 0 HA THR A 15 5.301 -14.188 -5.399 1.00 20.32 H new ATOM 0 HB THR A 15 5.162 -14.041 -7.964 1.00 5.03 H new ATOM 0 HG1 THR A 15 3.159 -13.059 -8.729 1.00 1.40 H new ATOM 0 HG21 THR A 15 3.136 -15.395 -8.124 1.00 11.13 H new ATOM 0 HG22 THR A 15 4.150 -15.880 -6.744 1.00 11.13 H new ATOM 0 HG23 THR A 15 2.681 -14.912 -6.472 1.00 11.13 H new ATOM 244 N LYS A 16 5.617 -11.109 -6.433 1.00 65.04 N ATOM 245 CA LYS A 16 6.575 -10.067 -6.714 1.00 55.22 C ATOM 246 C LYS A 16 6.802 -9.167 -5.510 1.00 44.04 C ATOM 247 O LYS A 16 7.672 -8.296 -5.540 1.00 71.34 O ATOM 248 CB LYS A 16 6.154 -9.261 -7.939 1.00 22.04 C ATOM 249 CG LYS A 16 6.113 -10.080 -9.218 1.00 54.10 C ATOM 250 CD LYS A 16 5.743 -9.229 -10.417 1.00 43.24 C ATOM 251 CE LYS A 16 5.765 -10.052 -11.695 1.00 71.52 C ATOM 252 NZ LYS A 16 5.431 -9.245 -12.879 1.00 33.01 N ATOM 0 H LYS A 16 4.644 -10.802 -6.432 1.00 65.04 H new ATOM 0 HA LYS A 16 7.528 -10.547 -6.936 1.00 55.22 H new ATOM 0 HB2 LYS A 16 5.168 -8.831 -7.760 1.00 22.04 H new ATOM 0 HB3 LYS A 16 6.845 -8.429 -8.072 1.00 22.04 H new ATOM 0 HG2 LYS A 16 7.086 -10.542 -9.386 1.00 54.10 H new ATOM 0 HG3 LYS A 16 5.391 -10.889 -9.109 1.00 54.10 H new ATOM 0 HD2 LYS A 16 4.751 -8.802 -10.272 1.00 43.24 H new ATOM 0 HD3 LYS A 16 6.440 -8.395 -10.505 1.00 43.24 H new ATOM 0 HE2 LYS A 16 6.753 -10.493 -11.825 1.00 71.52 H new ATOM 0 HE3 LYS A 16 5.057 -10.876 -11.607 1.00 71.52 H new ATOM 0 HZ1 LYS A 16 5.458 -9.846 -13.727 1.00 33.01 H new ATOM 0 HZ2 LYS A 16 4.478 -8.844 -12.768 1.00 33.01 H new ATOM 0 HZ3 LYS A 16 6.121 -8.473 -12.979 1.00 33.01 H new ATOM 266 N ASN A 17 6.014 -9.386 -4.454 1.00 30.05 N ATOM 267 CA ASN A 17 6.128 -8.640 -3.179 1.00 71.31 C ATOM 268 C ASN A 17 5.691 -7.176 -3.322 1.00 64.43 C ATOM 269 O ASN A 17 6.076 -6.317 -2.504 1.00 61.11 O ATOM 270 CB ASN A 17 7.568 -8.719 -2.598 1.00 60.40 C ATOM 271 CG ASN A 17 8.029 -10.127 -2.216 1.00 1.33 C ATOM 272 OD1 ASN A 17 7.134 -10.954 -1.735 1.00 52.43 O flip ATOM 273 ND2 ASN A 17 9.207 -10.448 -2.329 1.00 35.34 N flip ATOM 0 H ASN A 17 5.273 -10.087 -4.450 1.00 30.05 H new ATOM 0 HA ASN A 17 5.446 -9.123 -2.479 1.00 71.31 H new ATOM 0 HB2 ASN A 17 8.263 -8.311 -3.331 1.00 60.40 H new ATOM 0 HB3 ASN A 17 7.624 -8.082 -1.716 1.00 60.40 H new ATOM 0 HD21 ASN A 17 9.883 -9.784 -2.707 1.00 35.34 H new ATOM 0 HD22 ASN A 17 9.511 -11.379 -2.045 1.00 35.34 H new ATOM 280 N PHE A 18 4.878 -6.884 -4.332 1.00 20.25 N ATOM 281 CA PHE A 18 4.346 -5.542 -4.497 1.00 62.11 C ATOM 282 C PHE A 18 2.957 -5.559 -5.107 1.00 43.21 C ATOM 283 O PHE A 18 2.502 -6.582 -5.637 1.00 34.51 O ATOM 284 CB PHE A 18 5.293 -4.583 -5.274 1.00 23.21 C ATOM 285 CG PHE A 18 5.593 -4.944 -6.712 1.00 61.22 C ATOM 286 CD1 PHE A 18 4.741 -4.547 -7.738 1.00 11.44 C ATOM 287 CD2 PHE A 18 6.736 -5.649 -7.042 1.00 2.32 C ATOM 288 CE1 PHE A 18 5.025 -4.853 -9.053 1.00 24.23 C ATOM 289 CE2 PHE A 18 7.022 -5.960 -8.356 1.00 21.53 C ATOM 290 CZ PHE A 18 6.166 -5.561 -9.362 1.00 62.34 C ATOM 0 H PHE A 18 4.577 -7.553 -5.041 1.00 20.25 H new ATOM 0 HA PHE A 18 4.270 -5.135 -3.489 1.00 62.11 H new ATOM 0 HB2 PHE A 18 4.855 -3.585 -5.258 1.00 23.21 H new ATOM 0 HB3 PHE A 18 6.238 -4.525 -4.733 1.00 23.21 H new ATOM 0 HD1 PHE A 18 3.845 -3.992 -7.502 1.00 11.44 H new ATOM 0 HD2 PHE A 18 7.414 -5.960 -6.261 1.00 2.32 H new ATOM 0 HE1 PHE A 18 4.354 -4.538 -9.839 1.00 24.23 H new ATOM 0 HE2 PHE A 18 7.916 -6.516 -8.597 1.00 21.53 H new ATOM 0 HZ PHE A 18 6.390 -5.803 -10.390 1.00 62.34 H new ATOM 300 N GLY A 19 2.299 -4.445 -5.008 1.00 71.22 N ATOM 301 CA GLY A 19 0.979 -4.275 -5.534 1.00 23.15 C ATOM 302 C GLY A 19 0.608 -2.825 -5.527 1.00 51.03 C ATOM 303 O GLY A 19 1.480 -1.982 -5.483 1.00 5.44 O ATOM 0 H GLY A 19 2.671 -3.613 -4.551 1.00 71.22 H new ATOM 0 HA2 GLY A 19 0.930 -4.666 -6.550 1.00 23.15 H new ATOM 0 HA3 GLY A 19 0.265 -4.844 -4.939 1.00 23.15 H new ATOM 307 N PHE A 20 -0.663 -2.530 -5.533 1.00 10.10 N ATOM 308 CA PHE A 20 -1.142 -1.154 -5.518 1.00 75.31 C ATOM 309 C PHE A 20 -2.306 -0.970 -4.590 1.00 45.41 C ATOM 310 O PHE A 20 -2.942 -1.944 -4.156 1.00 41.14 O ATOM 311 CB PHE A 20 -1.517 -0.644 -6.907 1.00 25.41 C ATOM 312 CG PHE A 20 -0.365 -0.212 -7.767 1.00 25.03 C ATOM 313 CD1 PHE A 20 0.331 -1.115 -8.532 1.00 2.22 C ATOM 314 CD2 PHE A 20 0.004 1.118 -7.812 1.00 22.41 C ATOM 315 CE1 PHE A 20 1.376 -0.711 -9.329 1.00 13.32 C ATOM 316 CE2 PHE A 20 1.049 1.532 -8.601 1.00 0.51 C ATOM 317 CZ PHE A 20 1.737 0.614 -9.364 1.00 73.01 C ATOM 0 H PHE A 20 -1.405 -3.230 -5.548 1.00 10.10 H new ATOM 0 HA PHE A 20 -0.302 -0.563 -5.153 1.00 75.31 H new ATOM 0 HB2 PHE A 20 -2.063 -1.430 -7.429 1.00 25.41 H new ATOM 0 HB3 PHE A 20 -2.200 0.198 -6.794 1.00 25.41 H new ATOM 0 HD1 PHE A 20 0.053 -2.158 -8.507 1.00 2.22 H new ATOM 0 HD2 PHE A 20 -0.536 1.842 -7.219 1.00 22.41 H new ATOM 0 HE1 PHE A 20 1.912 -1.434 -9.926 1.00 13.32 H new ATOM 0 HE2 PHE A 20 1.331 2.574 -8.623 1.00 0.51 H new ATOM 0 HZ PHE A 20 2.558 0.935 -9.988 1.00 73.01 H new ATOM 327 N ILE A 21 -2.599 0.279 -4.304 1.00 61.43 N ATOM 328 CA ILE A 21 -3.670 0.675 -3.422 1.00 52.43 C ATOM 329 C ILE A 21 -4.287 1.958 -3.972 1.00 52.35 C ATOM 330 O ILE A 21 -3.562 2.826 -4.467 1.00 30.23 O ATOM 331 CB ILE A 21 -3.135 0.962 -1.971 1.00 43.21 C ATOM 332 CG1 ILE A 21 -2.405 -0.256 -1.398 1.00 3.34 C ATOM 333 CG2 ILE A 21 -4.274 1.376 -1.049 1.00 12.53 C ATOM 334 CD1 ILE A 21 -1.807 -0.033 -0.020 1.00 53.02 C ATOM 0 H ILE A 21 -2.083 1.069 -4.691 1.00 61.43 H new ATOM 0 HA ILE A 21 -4.401 -0.132 -3.369 1.00 52.43 H new ATOM 0 HB ILE A 21 -2.423 1.784 -2.038 1.00 43.21 H new ATOM 0 HG12 ILE A 21 -3.102 -1.093 -1.348 1.00 3.34 H new ATOM 0 HG13 ILE A 21 -1.609 -0.545 -2.085 1.00 3.34 H new ATOM 0 HG21 ILE A 21 -3.882 1.570 -0.051 1.00 12.53 H new ATOM 0 HG22 ILE A 21 -4.745 2.280 -1.436 1.00 12.53 H new ATOM 0 HG23 ILE A 21 -5.012 0.575 -1.000 1.00 12.53 H new ATOM 0 HD11 ILE A 21 -1.309 -0.944 0.312 1.00 53.02 H new ATOM 0 HD12 ILE A 21 -1.083 0.781 -0.065 1.00 53.02 H new ATOM 0 HD13 ILE A 21 -2.599 0.224 0.683 1.00 53.02 H new ATOM 346 N GLU A 22 -5.597 2.058 -3.929 1.00 42.24 N ATOM 347 CA GLU A 22 -6.288 3.271 -4.312 1.00 72.45 C ATOM 348 C GLU A 22 -7.448 3.416 -3.372 1.00 45.54 C ATOM 349 O GLU A 22 -8.009 2.421 -2.944 1.00 21.50 O ATOM 350 CB GLU A 22 -6.821 3.210 -5.771 1.00 65.13 C ATOM 351 CG GLU A 22 -7.974 2.229 -5.987 1.00 73.14 C ATOM 352 CD GLU A 22 -8.493 2.205 -7.408 1.00 73.00 C ATOM 353 OE1 GLU A 22 -7.903 1.523 -8.264 1.00 33.22 O ATOM 354 OE2 GLU A 22 -9.520 2.850 -7.687 1.00 40.23 O ATOM 0 H GLU A 22 -6.213 1.303 -3.628 1.00 42.24 H new ATOM 0 HA GLU A 22 -5.598 4.114 -4.261 1.00 72.45 H new ATOM 0 HB2 GLU A 22 -7.149 4.207 -6.066 1.00 65.13 H new ATOM 0 HB3 GLU A 22 -5.999 2.936 -6.433 1.00 65.13 H new ATOM 0 HG2 GLU A 22 -7.643 1.227 -5.713 1.00 73.14 H new ATOM 0 HG3 GLU A 22 -8.792 2.489 -5.315 1.00 73.14 H new ATOM 361 N GLN A 23 -7.799 4.602 -2.996 1.00 13.10 N ATOM 362 CA GLN A 23 -8.983 4.720 -2.199 1.00 23.15 C ATOM 363 C GLN A 23 -10.142 4.825 -3.107 1.00 2.04 C ATOM 364 O GLN A 23 -10.009 5.343 -4.215 1.00 22.25 O ATOM 365 CB GLN A 23 -8.959 5.876 -1.193 1.00 24.24 C ATOM 366 CG GLN A 23 -8.896 7.252 -1.773 1.00 11.15 C ATOM 367 CD GLN A 23 -8.910 8.305 -0.704 1.00 21.32 C ATOM 368 OE1 GLN A 23 -9.966 8.784 -0.303 1.00 11.05 O ATOM 369 NE2 GLN A 23 -7.761 8.632 -0.205 1.00 64.02 N ATOM 0 H GLN A 23 -7.310 5.471 -3.214 1.00 13.10 H new ATOM 0 HA GLN A 23 -9.052 3.826 -1.579 1.00 23.15 H new ATOM 0 HB2 GLN A 23 -9.851 5.807 -0.570 1.00 24.24 H new ATOM 0 HB3 GLN A 23 -8.100 5.741 -0.536 1.00 24.24 H new ATOM 0 HG2 GLN A 23 -7.991 7.353 -2.372 1.00 11.15 H new ATOM 0 HG3 GLN A 23 -9.741 7.403 -2.444 1.00 11.15 H new ATOM 0 HE21 GLN A 23 -6.908 8.208 -0.569 1.00 64.02 H new ATOM 0 HE22 GLN A 23 -7.709 9.313 0.552 1.00 64.02 H new ATOM 378 N ASP A 24 -11.264 4.353 -2.650 1.00 75.34 N ATOM 379 CA ASP A 24 -12.506 4.330 -3.420 1.00 22.35 C ATOM 380 C ASP A 24 -12.955 5.722 -3.849 1.00 64.04 C ATOM 381 O ASP A 24 -13.826 5.868 -4.703 1.00 10.23 O ATOM 382 CB ASP A 24 -13.614 3.661 -2.618 1.00 3.34 C ATOM 383 CG ASP A 24 -13.319 2.228 -2.270 1.00 3.42 C ATOM 384 OD1 ASP A 24 -12.696 1.995 -1.224 1.00 4.22 O ATOM 385 OD2 ASP A 24 -13.719 1.306 -3.029 1.00 24.24 O ATOM 0 H ASP A 24 -11.360 3.961 -1.713 1.00 75.34 H new ATOM 0 HA ASP A 24 -12.304 3.756 -4.325 1.00 22.35 H new ATOM 0 HB2 ASP A 24 -13.778 4.224 -1.699 1.00 3.34 H new ATOM 0 HB3 ASP A 24 -14.542 3.705 -3.188 1.00 3.34 H new ATOM 390 N ASN A 25 -12.369 6.742 -3.249 1.00 4.13 N ATOM 391 CA ASN A 25 -12.679 8.116 -3.604 1.00 73.32 C ATOM 392 C ASN A 25 -11.784 8.608 -4.740 1.00 64.34 C ATOM 393 O ASN A 25 -11.845 9.780 -5.112 1.00 13.22 O ATOM 394 CB ASN A 25 -12.555 9.067 -2.395 1.00 73.12 C ATOM 395 CG ASN A 25 -13.575 8.820 -1.295 1.00 4.12 C ATOM 396 OD1 ASN A 25 -14.670 9.375 -1.318 1.00 55.23 O ATOM 397 ND2 ASN A 25 -13.224 8.017 -0.323 1.00 44.03 N ATOM 0 H ASN A 25 -11.673 6.645 -2.510 1.00 4.13 H new ATOM 0 HA ASN A 25 -13.716 8.125 -3.939 1.00 73.32 H new ATOM 0 HB2 ASN A 25 -11.554 8.971 -1.974 1.00 73.12 H new ATOM 0 HB3 ASN A 25 -12.657 10.094 -2.744 1.00 73.12 H new ATOM 0 HD21 ASN A 25 -13.868 7.836 0.447 1.00 44.03 H new ATOM 0 HD22 ASN A 25 -12.306 7.572 -0.335 1.00 44.03 H new ATOM 404 N GLY A 26 -10.959 7.721 -5.304 1.00 53.42 N ATOM 405 CA GLY A 26 -10.099 8.133 -6.390 1.00 25.51 C ATOM 406 C GLY A 26 -8.742 8.576 -5.907 1.00 44.33 C ATOM 407 O GLY A 26 -8.280 9.677 -6.240 1.00 52.41 O ATOM 0 H GLY A 26 -10.876 6.742 -5.029 1.00 53.42 H new ATOM 0 HA2 GLY A 26 -9.981 7.307 -7.091 1.00 25.51 H new ATOM 0 HA3 GLY A 26 -10.572 8.949 -6.936 1.00 25.51 H new ATOM 411 N GLY A 27 -8.110 7.750 -5.100 1.00 12.04 N ATOM 412 CA GLY A 27 -6.784 8.085 -4.593 1.00 42.44 C ATOM 413 C GLY A 27 -5.711 7.849 -5.646 1.00 4.44 C ATOM 414 O GLY A 27 -5.990 7.275 -6.702 1.00 72.42 O ATOM 0 H GLY A 27 -8.480 6.854 -4.782 1.00 12.04 H new ATOM 0 HA2 GLY A 27 -6.765 9.129 -4.280 1.00 42.44 H new ATOM 0 HA3 GLY A 27 -6.568 7.484 -3.710 1.00 42.44 H new ATOM 418 N LYS A 28 -4.500 8.278 -5.367 1.00 61.14 N ATOM 419 CA LYS A 28 -3.402 8.157 -6.327 1.00 41.41 C ATOM 420 C LYS A 28 -2.869 6.735 -6.424 1.00 53.45 C ATOM 421 O LYS A 28 -3.119 5.903 -5.549 1.00 4.00 O ATOM 422 CB LYS A 28 -2.262 9.100 -5.969 1.00 53.34 C ATOM 423 CG LYS A 28 -2.632 10.562 -6.030 1.00 35.44 C ATOM 424 CD LYS A 28 -1.437 11.417 -5.718 1.00 63.23 C ATOM 425 CE LYS A 28 -1.764 12.899 -5.799 1.00 60.55 C ATOM 426 NZ LYS A 28 -0.600 13.733 -5.426 1.00 12.05 N ATOM 0 H LYS A 28 -4.241 8.716 -4.483 1.00 61.14 H new ATOM 0 HA LYS A 28 -3.812 8.430 -7.299 1.00 41.41 H new ATOM 0 HB2 LYS A 28 -1.913 8.866 -4.963 1.00 53.34 H new ATOM 0 HB3 LYS A 28 -1.428 8.918 -6.646 1.00 53.34 H new ATOM 0 HG2 LYS A 28 -3.013 10.806 -7.021 1.00 35.44 H new ATOM 0 HG3 LYS A 28 -3.432 10.771 -5.320 1.00 35.44 H new ATOM 0 HD2 LYS A 28 -1.072 11.180 -4.719 1.00 63.23 H new ATOM 0 HD3 LYS A 28 -0.632 11.184 -6.415 1.00 63.23 H new ATOM 0 HE2 LYS A 28 -2.081 13.148 -6.812 1.00 60.55 H new ATOM 0 HE3 LYS A 28 -2.601 13.125 -5.138 1.00 60.55 H new ATOM 0 HZ1 LYS A 28 -0.858 14.738 -5.492 1.00 12.05 H new ATOM 0 HZ2 LYS A 28 -0.313 13.513 -4.451 1.00 12.05 H new ATOM 0 HZ3 LYS A 28 0.190 13.535 -6.072 1.00 12.05 H new ATOM 440 N ASP A 29 -2.134 6.463 -7.495 1.00 21.12 N ATOM 441 CA ASP A 29 -1.517 5.159 -7.692 1.00 43.31 C ATOM 442 C ASP A 29 -0.272 5.032 -6.869 1.00 34.44 C ATOM 443 O ASP A 29 0.808 5.508 -7.258 1.00 14.00 O ATOM 444 CB ASP A 29 -1.181 4.855 -9.162 1.00 64.20 C ATOM 445 CG ASP A 29 -2.381 4.707 -10.048 1.00 70.12 C ATOM 446 OD1 ASP A 29 -3.062 3.667 -9.975 1.00 51.42 O ATOM 447 OD2 ASP A 29 -2.647 5.606 -10.856 1.00 3.21 O ATOM 0 H ASP A 29 -1.951 7.132 -8.243 1.00 21.12 H new ATOM 0 HA ASP A 29 -2.261 4.430 -7.370 1.00 43.31 H new ATOM 0 HB2 ASP A 29 -0.552 5.655 -9.552 1.00 64.20 H new ATOM 0 HB3 ASP A 29 -0.595 3.937 -9.207 1.00 64.20 H new ATOM 452 N VAL A 30 -0.418 4.456 -5.732 1.00 31.11 N ATOM 453 CA VAL A 30 0.684 4.199 -4.867 1.00 71.34 C ATOM 454 C VAL A 30 0.901 2.703 -4.772 1.00 32.34 C ATOM 455 O VAL A 30 -0.055 1.939 -4.555 1.00 71.25 O ATOM 456 CB VAL A 30 0.489 4.859 -3.460 1.00 61.24 C ATOM 457 CG1 VAL A 30 -0.818 4.490 -2.825 1.00 71.24 C ATOM 458 CG2 VAL A 30 1.590 4.461 -2.536 1.00 3.42 C ATOM 0 H VAL A 30 -1.318 4.144 -5.367 1.00 31.11 H new ATOM 0 HA VAL A 30 1.580 4.657 -5.287 1.00 71.34 H new ATOM 0 HB VAL A 30 0.499 5.936 -3.627 1.00 61.24 H new ATOM 0 HG11 VAL A 30 -0.900 4.975 -1.852 1.00 71.24 H new ATOM 0 HG12 VAL A 30 -1.638 4.817 -3.464 1.00 71.24 H new ATOM 0 HG13 VAL A 30 -0.868 3.409 -2.696 1.00 71.24 H new ATOM 0 HG21 VAL A 30 1.437 4.930 -1.564 1.00 3.42 H new ATOM 0 HG22 VAL A 30 1.594 3.377 -2.420 1.00 3.42 H new ATOM 0 HG23 VAL A 30 2.546 4.785 -2.948 1.00 3.42 H new ATOM 468 N PHE A 31 2.126 2.270 -4.968 1.00 22.41 N ATOM 469 CA PHE A 31 2.397 0.871 -4.930 1.00 43.52 C ATOM 470 C PHE A 31 2.750 0.440 -3.537 1.00 73.12 C ATOM 471 O PHE A 31 3.477 1.121 -2.825 1.00 32.11 O ATOM 472 CB PHE A 31 3.460 0.416 -5.974 1.00 1.11 C ATOM 473 CG PHE A 31 4.853 0.971 -5.825 1.00 43.14 C ATOM 474 CD1 PHE A 31 5.210 2.154 -6.440 1.00 53.32 C ATOM 475 CD2 PHE A 31 5.810 0.291 -5.086 1.00 63.12 C ATOM 476 CE1 PHE A 31 6.491 2.653 -6.319 1.00 21.03 C ATOM 477 CE2 PHE A 31 7.092 0.787 -4.962 1.00 54.11 C ATOM 478 CZ PHE A 31 7.433 1.970 -5.580 1.00 71.54 C ATOM 0 H PHE A 31 2.933 2.866 -5.152 1.00 22.41 H new ATOM 0 HA PHE A 31 1.478 0.363 -5.223 1.00 43.52 H new ATOM 0 HB2 PHE A 31 3.524 -0.672 -5.939 1.00 1.11 H new ATOM 0 HB3 PHE A 31 3.095 0.682 -6.966 1.00 1.11 H new ATOM 0 HD1 PHE A 31 4.479 2.695 -7.022 1.00 53.32 H new ATOM 0 HD2 PHE A 31 5.549 -0.638 -4.602 1.00 63.12 H new ATOM 0 HE1 PHE A 31 6.756 3.581 -6.804 1.00 21.03 H new ATOM 0 HE2 PHE A 31 7.827 0.249 -4.381 1.00 54.11 H new ATOM 0 HZ PHE A 31 8.435 2.361 -5.486 1.00 71.54 H new ATOM 488 N VAL A 32 2.213 -0.654 -3.136 1.00 12.44 N ATOM 489 CA VAL A 32 2.482 -1.179 -1.846 1.00 14.32 C ATOM 490 C VAL A 32 3.544 -2.254 -1.969 1.00 74.44 C ATOM 491 O VAL A 32 3.442 -3.156 -2.791 1.00 44.31 O ATOM 492 CB VAL A 32 1.188 -1.716 -1.149 1.00 42.41 C ATOM 493 CG1 VAL A 32 0.509 -2.815 -1.955 1.00 44.03 C ATOM 494 CG2 VAL A 32 1.478 -2.180 0.274 1.00 74.23 C ATOM 0 H VAL A 32 1.571 -1.214 -3.696 1.00 12.44 H new ATOM 0 HA VAL A 32 2.853 -0.378 -1.206 1.00 14.32 H new ATOM 0 HB VAL A 32 0.489 -0.881 -1.098 1.00 42.41 H new ATOM 0 HG11 VAL A 32 -0.383 -3.154 -1.429 1.00 44.03 H new ATOM 0 HG12 VAL A 32 0.228 -2.427 -2.934 1.00 44.03 H new ATOM 0 HG13 VAL A 32 1.196 -3.652 -2.080 1.00 44.03 H new ATOM 0 HG21 VAL A 32 0.559 -2.547 0.731 1.00 74.23 H new ATOM 0 HG22 VAL A 32 2.218 -2.980 0.252 1.00 74.23 H new ATOM 0 HG23 VAL A 32 1.865 -1.344 0.857 1.00 74.23 H new ATOM 504 N HIS A 33 4.573 -2.127 -1.204 1.00 45.51 N ATOM 505 CA HIS A 33 5.654 -3.072 -1.239 1.00 43.11 C ATOM 506 C HIS A 33 5.744 -3.780 0.097 1.00 43.33 C ATOM 507 O HIS A 33 5.301 -3.251 1.100 1.00 10.30 O ATOM 508 CB HIS A 33 6.976 -2.356 -1.602 1.00 60.34 C ATOM 509 CG HIS A 33 8.145 -3.282 -1.637 1.00 41.35 C ATOM 510 ND1 HIS A 33 9.274 -3.295 -0.927 1.00 34.21 N flip ATOM 511 CD2 HIS A 33 8.158 -4.424 -2.384 1.00 52.23 C flip ATOM 512 CE1 HIS A 33 9.938 -4.438 -1.242 1.00 14.12 C flip ATOM 513 NE2 HIS A 33 9.237 -5.098 -2.118 1.00 2.24 N flip ATOM 0 H HIS A 33 4.696 -1.368 -0.534 1.00 45.51 H new ATOM 0 HA HIS A 33 5.469 -3.821 -2.009 1.00 43.11 H new ATOM 0 HB2 HIS A 33 6.869 -1.877 -2.575 1.00 60.34 H new ATOM 0 HB3 HIS A 33 7.166 -1.565 -0.876 1.00 60.34 H new ATOM 0 HD2 HIS A 33 7.392 -4.721 -3.086 1.00 52.23 H new ATOM 0 HE1 HIS A 33 10.889 -4.747 -0.834 1.00 14.12 H new ATOM 0 HE2 HIS A 33 9.492 -5.996 -2.528 1.00 2.24 H new ATOM 522 N LYS A 34 6.324 -4.965 0.095 1.00 50.02 N ATOM 523 CA LYS A 34 6.472 -5.791 1.282 1.00 10.11 C ATOM 524 C LYS A 34 7.216 -5.089 2.434 1.00 75.21 C ATOM 525 O LYS A 34 7.105 -5.495 3.567 1.00 51.42 O ATOM 526 CB LYS A 34 7.074 -7.147 0.913 1.00 62.13 C ATOM 527 CG LYS A 34 7.362 -8.068 2.078 1.00 2.22 C ATOM 528 CD LYS A 34 7.667 -9.441 1.586 1.00 22.42 C ATOM 529 CE LYS A 34 8.145 -10.362 2.690 1.00 35.05 C ATOM 530 NZ LYS A 34 7.170 -10.490 3.786 1.00 43.15 N ATOM 0 H LYS A 34 6.713 -5.390 -0.747 1.00 50.02 H new ATOM 0 HA LYS A 34 5.473 -5.967 1.682 1.00 10.11 H new ATOM 0 HB2 LYS A 34 6.392 -7.654 0.231 1.00 62.13 H new ATOM 0 HB3 LYS A 34 8.003 -6.977 0.368 1.00 62.13 H new ATOM 0 HG2 LYS A 34 8.204 -7.685 2.654 1.00 2.22 H new ATOM 0 HG3 LYS A 34 6.504 -8.097 2.749 1.00 2.22 H new ATOM 0 HD2 LYS A 34 6.775 -9.865 1.125 1.00 22.42 H new ATOM 0 HD3 LYS A 34 8.430 -9.384 0.810 1.00 22.42 H new ATOM 0 HE2 LYS A 34 8.347 -11.348 2.272 1.00 35.05 H new ATOM 0 HE3 LYS A 34 9.087 -9.985 3.089 1.00 35.05 H new ATOM 0 HZ1 LYS A 34 7.509 -11.195 4.472 1.00 43.15 H new ATOM 0 HZ2 LYS A 34 7.058 -9.571 4.260 1.00 43.15 H new ATOM 0 HZ3 LYS A 34 6.253 -10.795 3.401 1.00 43.15 H new ATOM 544 N SER A 35 7.950 -4.030 2.139 1.00 24.33 N ATOM 545 CA SER A 35 8.547 -3.202 3.205 1.00 35.22 C ATOM 546 C SER A 35 7.446 -2.590 4.101 1.00 53.40 C ATOM 547 O SER A 35 7.682 -2.248 5.250 1.00 34.24 O ATOM 548 CB SER A 35 9.420 -2.109 2.608 1.00 50.34 C ATOM 549 OG SER A 35 10.427 -2.671 1.785 1.00 43.33 O ATOM 0 H SER A 35 8.152 -3.716 1.190 1.00 24.33 H new ATOM 0 HA SER A 35 9.175 -3.843 3.824 1.00 35.22 H new ATOM 0 HB2 SER A 35 8.806 -1.423 2.024 1.00 50.34 H new ATOM 0 HB3 SER A 35 9.878 -1.525 3.406 1.00 50.34 H new ATOM 0 HG SER A 35 10.048 -2.891 0.908 1.00 43.33 H new ATOM 555 N ALA A 36 6.243 -2.478 3.564 1.00 21.31 N ATOM 556 CA ALA A 36 5.127 -2.009 4.334 1.00 42.21 C ATOM 557 C ALA A 36 4.630 -3.119 5.224 1.00 1.24 C ATOM 558 O ALA A 36 4.158 -2.878 6.336 1.00 41.00 O ATOM 559 CB ALA A 36 4.036 -1.539 3.446 1.00 35.02 C ATOM 0 H ALA A 36 6.024 -2.709 2.595 1.00 21.31 H new ATOM 0 HA ALA A 36 5.451 -1.168 4.948 1.00 42.21 H new ATOM 0 HB1 ALA A 36 3.200 -1.188 4.051 1.00 35.02 H new ATOM 0 HB2 ALA A 36 4.401 -0.723 2.822 1.00 35.02 H new ATOM 0 HB3 ALA A 36 3.704 -2.360 2.811 1.00 35.02 H new ATOM 565 N VAL A 37 4.739 -4.348 4.722 1.00 53.40 N ATOM 566 CA VAL A 37 4.441 -5.512 5.514 1.00 61.13 C ATOM 567 C VAL A 37 5.478 -5.605 6.598 1.00 70.15 C ATOM 568 O VAL A 37 5.162 -5.844 7.724 1.00 70.24 O ATOM 569 CB VAL A 37 4.435 -6.835 4.693 1.00 71.25 C ATOM 570 CG1 VAL A 37 4.235 -8.019 5.634 1.00 62.45 C ATOM 571 CG2 VAL A 37 3.318 -6.800 3.656 1.00 3.30 C ATOM 0 H VAL A 37 5.033 -4.551 3.767 1.00 53.40 H new ATOM 0 HA VAL A 37 3.434 -5.396 5.916 1.00 61.13 H new ATOM 0 HB VAL A 37 5.390 -6.942 4.178 1.00 71.25 H new ATOM 0 HG11 VAL A 37 4.231 -8.945 5.058 1.00 62.45 H new ATOM 0 HG12 VAL A 37 5.047 -8.047 6.361 1.00 62.45 H new ATOM 0 HG13 VAL A 37 3.284 -7.912 6.156 1.00 62.45 H new ATOM 0 HG21 VAL A 37 3.321 -7.729 3.086 1.00 3.30 H new ATOM 0 HG22 VAL A 37 2.358 -6.686 4.159 1.00 3.30 H new ATOM 0 HG23 VAL A 37 3.475 -5.960 2.980 1.00 3.30 H new ATOM 581 N ASP A 38 6.709 -5.364 6.225 1.00 64.45 N ATOM 582 CA ASP A 38 7.846 -5.340 7.138 1.00 3.33 C ATOM 583 C ASP A 38 7.590 -4.386 8.299 1.00 44.21 C ATOM 584 O ASP A 38 7.973 -4.660 9.437 1.00 35.43 O ATOM 585 CB ASP A 38 9.107 -4.914 6.374 1.00 20.40 C ATOM 586 CG ASP A 38 10.342 -4.792 7.236 1.00 32.32 C ATOM 587 OD1 ASP A 38 11.016 -5.813 7.470 1.00 34.33 O ATOM 588 OD2 ASP A 38 10.685 -3.658 7.654 1.00 51.12 O ATOM 0 H ASP A 38 6.965 -5.173 5.256 1.00 64.45 H new ATOM 0 HA ASP A 38 7.988 -6.341 7.547 1.00 3.33 H new ATOM 0 HB2 ASP A 38 9.300 -5.638 5.582 1.00 20.40 H new ATOM 0 HB3 ASP A 38 8.919 -3.955 5.891 1.00 20.40 H new ATOM 593 N ALA A 39 6.898 -3.292 8.007 1.00 64.32 N ATOM 594 CA ALA A 39 6.594 -2.285 9.017 1.00 13.52 C ATOM 595 C ALA A 39 5.469 -2.701 9.996 1.00 4.05 C ATOM 596 O ALA A 39 5.348 -2.119 11.077 1.00 74.12 O ATOM 597 CB ALA A 39 6.247 -0.972 8.351 1.00 30.34 C ATOM 0 H ALA A 39 6.536 -3.079 7.078 1.00 64.32 H new ATOM 0 HA ALA A 39 7.495 -2.175 9.620 1.00 13.52 H new ATOM 0 HB1 ALA A 39 6.021 -0.226 9.113 1.00 30.34 H new ATOM 0 HB2 ALA A 39 7.092 -0.634 7.751 1.00 30.34 H new ATOM 0 HB3 ALA A 39 5.377 -1.109 7.708 1.00 30.34 H new ATOM 603 N ALA A 40 4.659 -3.686 9.636 1.00 74.02 N ATOM 604 CA ALA A 40 3.515 -4.056 10.498 1.00 4.33 C ATOM 605 C ALA A 40 3.413 -5.564 10.787 1.00 30.23 C ATOM 606 O ALA A 40 2.766 -5.976 11.746 1.00 71.44 O ATOM 607 CB ALA A 40 2.224 -3.558 9.878 1.00 35.11 C ATOM 0 H ALA A 40 4.755 -4.236 8.783 1.00 74.02 H new ATOM 0 HA ALA A 40 3.688 -3.575 11.461 1.00 4.33 H new ATOM 0 HB1 ALA A 40 1.384 -3.833 10.516 1.00 35.11 H new ATOM 0 HB2 ALA A 40 2.263 -2.473 9.777 1.00 35.11 H new ATOM 0 HB3 ALA A 40 2.095 -4.009 8.894 1.00 35.11 H new ATOM 613 N GLY A 41 4.038 -6.360 9.964 1.00 33.42 N ATOM 614 CA GLY A 41 3.968 -7.805 10.077 1.00 63.04 C ATOM 615 C GLY A 41 2.648 -8.334 9.596 1.00 5.15 C ATOM 616 O GLY A 41 2.067 -9.249 10.179 1.00 5.05 O ATOM 0 H GLY A 41 4.615 -6.031 9.190 1.00 33.42 H new ATOM 0 HA2 GLY A 41 4.774 -8.255 9.497 1.00 63.04 H new ATOM 0 HA3 GLY A 41 4.121 -8.097 11.116 1.00 63.04 H new ATOM 620 N LEU A 42 2.176 -7.738 8.539 1.00 31.20 N ATOM 621 CA LEU A 42 0.948 -8.124 7.898 1.00 21.21 C ATOM 622 C LEU A 42 1.072 -9.534 7.320 1.00 54.31 C ATOM 623 O LEU A 42 2.130 -9.916 6.827 1.00 62.22 O ATOM 624 CB LEU A 42 0.623 -7.079 6.807 1.00 24.44 C ATOM 625 CG LEU A 42 -0.491 -7.366 5.819 1.00 25.41 C ATOM 626 CD1 LEU A 42 -1.806 -7.669 6.484 1.00 35.44 C ATOM 627 CD2 LEU A 42 -0.659 -6.204 4.889 1.00 42.10 C ATOM 0 H LEU A 42 2.644 -6.952 8.087 1.00 31.20 H new ATOM 0 HA LEU A 42 0.130 -8.149 8.618 1.00 21.21 H new ATOM 0 HB2 LEU A 42 0.383 -6.143 7.310 1.00 24.44 H new ATOM 0 HB3 LEU A 42 1.534 -6.908 6.234 1.00 24.44 H new ATOM 0 HG LEU A 42 -0.197 -8.258 5.267 1.00 25.41 H new ATOM 0 HD11 LEU A 42 -2.562 -7.865 5.723 1.00 35.44 H new ATOM 0 HD12 LEU A 42 -1.697 -8.546 7.122 1.00 35.44 H new ATOM 0 HD13 LEU A 42 -2.113 -6.816 7.089 1.00 35.44 H new ATOM 0 HD21 LEU A 42 -1.461 -6.417 4.182 1.00 42.10 H new ATOM 0 HD22 LEU A 42 -0.909 -5.312 5.463 1.00 42.10 H new ATOM 0 HD23 LEU A 42 0.270 -6.037 4.344 1.00 42.10 H new ATOM 639 N HIS A 43 0.004 -10.312 7.426 1.00 44.43 N ATOM 640 CA HIS A 43 -0.005 -11.667 6.882 1.00 1.05 C ATOM 641 C HIS A 43 0.234 -11.608 5.385 1.00 71.12 C ATOM 642 O HIS A 43 1.183 -12.198 4.877 1.00 42.42 O ATOM 643 CB HIS A 43 -1.329 -12.381 7.167 1.00 63.03 C ATOM 644 CG HIS A 43 -1.670 -12.537 8.619 1.00 73.51 C ATOM 645 ND1 HIS A 43 -2.889 -12.184 9.139 1.00 11.31 N ATOM 646 CD2 HIS A 43 -0.959 -13.040 9.655 1.00 53.32 C ATOM 647 CE1 HIS A 43 -2.916 -12.456 10.421 1.00 15.23 C ATOM 648 NE2 HIS A 43 -1.760 -12.975 10.759 1.00 2.44 N ATOM 0 H HIS A 43 -0.865 -10.032 7.881 1.00 44.43 H new ATOM 0 HA HIS A 43 0.789 -12.234 7.367 1.00 1.05 H new ATOM 0 HB2 HIS A 43 -2.133 -11.830 6.678 1.00 63.03 H new ATOM 0 HB3 HIS A 43 -1.296 -13.370 6.710 1.00 63.03 H new ATOM 0 HD2 HIS A 43 0.051 -13.421 9.616 1.00 53.32 H new ATOM 0 HE1 HIS A 43 -3.749 -12.282 11.086 1.00 15.23 H new ATOM 0 HE2 HIS A 43 -1.501 -13.281 11.697 1.00 2.44 H new ATOM 657 N SER A 44 -0.631 -10.873 4.705 1.00 14.23 N ATOM 658 CA SER A 44 -0.537 -10.617 3.298 1.00 54.30 C ATOM 659 C SER A 44 -1.655 -9.652 2.942 1.00 43.15 C ATOM 660 O SER A 44 -2.464 -9.303 3.806 1.00 51.11 O ATOM 661 CB SER A 44 -0.666 -11.921 2.485 1.00 35.11 C ATOM 662 OG SER A 44 -0.405 -11.704 1.095 1.00 74.14 O ATOM 0 H SER A 44 -1.439 -10.429 5.141 1.00 14.23 H new ATOM 0 HA SER A 44 0.436 -10.189 3.056 1.00 54.30 H new ATOM 0 HB2 SER A 44 0.030 -12.664 2.875 1.00 35.11 H new ATOM 0 HB3 SER A 44 -1.669 -12.329 2.608 1.00 35.11 H new ATOM 0 HG SER A 44 -0.494 -12.551 0.609 1.00 74.14 H new ATOM 668 N LEU A 45 -1.681 -9.214 1.723 1.00 61.33 N ATOM 669 CA LEU A 45 -2.704 -8.332 1.244 1.00 74.13 C ATOM 670 C LEU A 45 -3.575 -9.026 0.241 1.00 34.34 C ATOM 671 O LEU A 45 -3.107 -9.864 -0.541 1.00 10.25 O ATOM 672 CB LEU A 45 -2.138 -7.105 0.560 1.00 13.23 C ATOM 673 CG LEU A 45 -1.240 -6.199 1.373 1.00 42.54 C ATOM 674 CD1 LEU A 45 0.193 -6.698 1.457 1.00 52.45 C ATOM 675 CD2 LEU A 45 -1.337 -4.811 0.858 1.00 73.21 C ATOM 0 H LEU A 45 -0.984 -9.461 1.021 1.00 61.33 H new ATOM 0 HA LEU A 45 -3.271 -8.031 2.125 1.00 74.13 H new ATOM 0 HB2 LEU A 45 -1.577 -7.437 -0.314 1.00 13.23 H new ATOM 0 HB3 LEU A 45 -2.974 -6.509 0.195 1.00 13.23 H new ATOM 0 HG LEU A 45 -1.593 -6.209 2.404 1.00 42.54 H new ATOM 0 HD11 LEU A 45 0.786 -6.004 2.053 1.00 52.45 H new ATOM 0 HD12 LEU A 45 0.209 -7.683 1.924 1.00 52.45 H new ATOM 0 HD13 LEU A 45 0.614 -6.765 0.454 1.00 52.45 H new ATOM 0 HD21 LEU A 45 -0.690 -4.159 1.445 1.00 73.21 H new ATOM 0 HD22 LEU A 45 -1.025 -4.788 -0.186 1.00 73.21 H new ATOM 0 HD23 LEU A 45 -2.368 -4.465 0.937 1.00 73.21 H new ATOM 687 N GLU A 46 -4.809 -8.687 0.263 1.00 21.01 N ATOM 688 CA GLU A 46 -5.774 -9.146 -0.688 1.00 23.23 C ATOM 689 C GLU A 46 -6.642 -7.987 -1.105 1.00 52.25 C ATOM 690 O GLU A 46 -6.894 -7.078 -0.307 1.00 25.23 O ATOM 691 CB GLU A 46 -6.603 -10.366 -0.193 1.00 41.42 C ATOM 692 CG GLU A 46 -7.260 -10.243 1.184 1.00 30.25 C ATOM 693 CD GLU A 46 -6.259 -10.280 2.318 1.00 1.22 C ATOM 694 OE1 GLU A 46 -5.816 -11.400 2.689 1.00 71.55 O ATOM 695 OE2 GLU A 46 -5.911 -9.218 2.857 1.00 32.43 O ATOM 0 H GLU A 46 -5.199 -8.059 0.966 1.00 21.01 H new ATOM 0 HA GLU A 46 -5.238 -9.523 -1.559 1.00 23.23 H new ATOM 0 HB2 GLU A 46 -7.385 -10.565 -0.926 1.00 41.42 H new ATOM 0 HB3 GLU A 46 -5.949 -11.238 -0.180 1.00 41.42 H new ATOM 0 HG2 GLU A 46 -7.821 -9.310 1.231 1.00 30.25 H new ATOM 0 HG3 GLU A 46 -7.978 -11.053 1.313 1.00 30.25 H new ATOM 702 N GLU A 47 -7.071 -7.991 -2.350 1.00 51.34 N ATOM 703 CA GLU A 47 -7.822 -6.872 -2.894 1.00 11.12 C ATOM 704 C GLU A 47 -9.176 -6.741 -2.230 1.00 30.04 C ATOM 705 O GLU A 47 -9.721 -7.707 -1.704 1.00 1.45 O ATOM 706 CB GLU A 47 -7.972 -6.951 -4.429 1.00 42.41 C ATOM 707 CG GLU A 47 -8.864 -8.076 -4.966 1.00 21.31 C ATOM 708 CD GLU A 47 -8.389 -9.466 -4.634 1.00 11.44 C ATOM 709 OE1 GLU A 47 -7.333 -9.891 -5.153 1.00 3.21 O ATOM 710 OE2 GLU A 47 -9.041 -10.150 -3.831 1.00 41.53 O ATOM 0 H GLU A 47 -6.914 -8.755 -3.007 1.00 51.34 H new ATOM 0 HA GLU A 47 -7.243 -5.976 -2.673 1.00 11.12 H new ATOM 0 HB2 GLU A 47 -8.370 -6.000 -4.784 1.00 42.41 H new ATOM 0 HB3 GLU A 47 -6.979 -7.064 -4.865 1.00 42.41 H new ATOM 0 HG2 GLU A 47 -9.870 -7.945 -4.568 1.00 21.31 H new ATOM 0 HG3 GLU A 47 -8.935 -7.980 -6.049 1.00 21.31 H new ATOM 717 N GLY A 48 -9.703 -5.549 -2.239 1.00 1.33 N ATOM 718 CA GLY A 48 -10.989 -5.303 -1.613 1.00 10.24 C ATOM 719 C GLY A 48 -10.846 -4.801 -0.187 1.00 11.21 C ATOM 720 O GLY A 48 -11.721 -4.101 0.323 1.00 61.55 O ATOM 0 H GLY A 48 -9.271 -4.731 -2.668 1.00 1.33 H new ATOM 0 HA2 GLY A 48 -11.543 -4.571 -2.200 1.00 10.24 H new ATOM 0 HA3 GLY A 48 -11.574 -6.222 -1.616 1.00 10.24 H new ATOM 724 N GLN A 49 -9.744 -5.153 0.446 1.00 43.02 N ATOM 725 CA GLN A 49 -9.442 -4.750 1.810 1.00 65.13 C ATOM 726 C GLN A 49 -9.140 -3.280 1.900 1.00 55.41 C ATOM 727 O GLN A 49 -8.368 -2.755 1.110 1.00 35.10 O ATOM 728 CB GLN A 49 -8.244 -5.550 2.321 1.00 62.34 C ATOM 729 CG GLN A 49 -8.557 -6.989 2.669 1.00 12.13 C ATOM 730 CD GLN A 49 -9.105 -7.190 4.082 1.00 3.40 C ATOM 731 OE1 GLN A 49 -9.744 -6.197 4.636 1.00 54.25 O flip ATOM 732 NE2 GLN A 49 -8.919 -8.239 4.678 1.00 74.22 N flip ATOM 0 H GLN A 49 -9.021 -5.735 0.023 1.00 43.02 H new ATOM 0 HA GLN A 49 -10.320 -4.950 2.424 1.00 65.13 H new ATOM 0 HB2 GLN A 49 -7.462 -5.534 1.562 1.00 62.34 H new ATOM 0 HB3 GLN A 49 -7.842 -5.054 3.204 1.00 62.34 H new ATOM 0 HG2 GLN A 49 -9.282 -7.374 1.952 1.00 12.13 H new ATOM 0 HG3 GLN A 49 -7.650 -7.583 2.556 1.00 12.13 H new ATOM 0 HE21 GLN A 49 -8.416 -9.001 4.224 1.00 74.22 H new ATOM 0 HE22 GLN A 49 -9.266 -8.353 5.630 1.00 74.22 H new ATOM 741 N ASP A 50 -9.750 -2.622 2.846 1.00 52.55 N ATOM 742 CA ASP A 50 -9.444 -1.235 3.100 1.00 22.01 C ATOM 743 C ASP A 50 -8.218 -1.178 3.936 1.00 34.34 C ATOM 744 O ASP A 50 -8.091 -1.910 4.934 1.00 21.10 O ATOM 745 CB ASP A 50 -10.587 -0.477 3.784 1.00 33.41 C ATOM 746 CG ASP A 50 -11.785 -0.243 2.898 1.00 45.31 C ATOM 747 OD1 ASP A 50 -12.701 -1.091 2.868 1.00 4.22 O ATOM 748 OD2 ASP A 50 -11.840 0.821 2.236 1.00 50.32 O ATOM 0 H ASP A 50 -10.463 -3.021 3.456 1.00 52.55 H new ATOM 0 HA ASP A 50 -9.292 -0.742 2.140 1.00 22.01 H new ATOM 0 HB2 ASP A 50 -10.903 -1.035 4.665 1.00 33.41 H new ATOM 0 HB3 ASP A 50 -10.213 0.485 4.134 1.00 33.41 H new ATOM 753 N VAL A 51 -7.318 -0.355 3.561 1.00 10.34 N ATOM 754 CA VAL A 51 -6.084 -0.295 4.221 1.00 44.32 C ATOM 755 C VAL A 51 -5.668 1.143 4.434 1.00 63.55 C ATOM 756 O VAL A 51 -5.994 2.040 3.649 1.00 71.11 O ATOM 757 CB VAL A 51 -5.005 -1.100 3.452 1.00 12.43 C ATOM 758 CG1 VAL A 51 -4.679 -0.496 2.090 1.00 1.11 C ATOM 759 CG2 VAL A 51 -3.768 -1.333 4.293 1.00 44.33 C ATOM 0 H VAL A 51 -7.421 0.297 2.784 1.00 10.34 H new ATOM 0 HA VAL A 51 -6.191 -0.757 5.202 1.00 44.32 H new ATOM 0 HB VAL A 51 -5.436 -2.080 3.248 1.00 12.43 H new ATOM 0 HG11 VAL A 51 -3.918 -1.101 1.597 1.00 1.11 H new ATOM 0 HG12 VAL A 51 -5.580 -0.475 1.476 1.00 1.11 H new ATOM 0 HG13 VAL A 51 -4.306 0.520 2.222 1.00 1.11 H new ATOM 0 HG21 VAL A 51 -3.038 -1.900 3.716 1.00 44.33 H new ATOM 0 HG22 VAL A 51 -3.337 -0.374 4.580 1.00 44.33 H new ATOM 0 HG23 VAL A 51 -4.037 -1.893 5.189 1.00 44.33 H new ATOM 769 N ILE A 52 -5.005 1.348 5.494 1.00 73.52 N ATOM 770 CA ILE A 52 -4.537 2.638 5.884 1.00 3.32 C ATOM 771 C ILE A 52 -3.026 2.555 5.906 1.00 0.22 C ATOM 772 O ILE A 52 -2.477 1.553 6.351 1.00 60.53 O ATOM 773 CB ILE A 52 -5.103 2.988 7.283 1.00 64.00 C ATOM 774 CG1 ILE A 52 -6.644 2.955 7.231 1.00 14.33 C ATOM 775 CG2 ILE A 52 -4.607 4.358 7.748 1.00 22.21 C ATOM 776 CD1 ILE A 52 -7.313 2.938 8.585 1.00 42.53 C ATOM 0 H ILE A 52 -4.756 0.606 6.149 1.00 73.52 H new ATOM 0 HA ILE A 52 -4.862 3.420 5.197 1.00 3.32 H new ATOM 0 HB ILE A 52 -4.751 2.250 8.003 1.00 64.00 H new ATOM 0 HG12 ILE A 52 -6.996 3.825 6.676 1.00 14.33 H new ATOM 0 HG13 ILE A 52 -6.958 2.073 6.673 1.00 14.33 H new ATOM 0 HG21 ILE A 52 -5.019 4.579 8.733 1.00 22.21 H new ATOM 0 HG22 ILE A 52 -3.518 4.351 7.803 1.00 22.21 H new ATOM 0 HG23 ILE A 52 -4.930 5.121 7.040 1.00 22.21 H new ATOM 0 HD11 ILE A 52 -8.395 2.915 8.456 1.00 42.53 H new ATOM 0 HD12 ILE A 52 -6.995 2.054 9.137 1.00 42.53 H new ATOM 0 HD13 ILE A 52 -7.033 3.833 9.141 1.00 42.53 H new ATOM 788 N PHE A 53 -2.361 3.547 5.396 1.00 1.31 N ATOM 789 CA PHE A 53 -0.919 3.498 5.293 1.00 32.14 C ATOM 790 C PHE A 53 -0.346 4.879 5.312 1.00 74.01 C ATOM 791 O PHE A 53 -1.081 5.859 5.429 1.00 40.44 O ATOM 792 CB PHE A 53 -0.510 2.800 3.976 1.00 34.40 C ATOM 793 CG PHE A 53 -1.103 3.427 2.733 1.00 25.42 C ATOM 794 CD1 PHE A 53 -2.379 3.091 2.316 1.00 73.32 C ATOM 795 CD2 PHE A 53 -0.383 4.344 1.985 1.00 62.43 C ATOM 796 CE1 PHE A 53 -2.917 3.649 1.187 1.00 42.31 C ATOM 797 CE2 PHE A 53 -0.918 4.902 0.853 1.00 21.44 C ATOM 798 CZ PHE A 53 -2.188 4.556 0.454 1.00 42.54 C ATOM 0 H PHE A 53 -2.786 4.404 5.042 1.00 1.31 H new ATOM 0 HA PHE A 53 -0.532 2.938 6.144 1.00 32.14 H new ATOM 0 HB2 PHE A 53 0.577 2.813 3.893 1.00 34.40 H new ATOM 0 HB3 PHE A 53 -0.814 1.754 4.022 1.00 34.40 H new ATOM 0 HD1 PHE A 53 -2.957 2.380 2.888 1.00 73.32 H new ATOM 0 HD2 PHE A 53 0.612 4.623 2.298 1.00 62.43 H new ATOM 0 HE1 PHE A 53 -3.914 3.377 0.872 1.00 42.31 H new ATOM 0 HE2 PHE A 53 -0.344 5.612 0.276 1.00 21.44 H new ATOM 0 HZ PHE A 53 -2.613 4.997 -0.436 1.00 42.54 H new ATOM 808 N ASP A 54 0.952 4.954 5.194 1.00 5.53 N ATOM 809 CA ASP A 54 1.630 6.199 5.058 1.00 11.23 C ATOM 810 C ASP A 54 2.338 6.139 3.744 1.00 52.22 C ATOM 811 O ASP A 54 2.613 5.043 3.237 1.00 23.23 O ATOM 812 CB ASP A 54 2.618 6.451 6.199 1.00 61.32 C ATOM 813 CG ASP A 54 1.960 6.443 7.559 1.00 62.21 C ATOM 814 OD1 ASP A 54 1.192 7.354 7.876 1.00 75.24 O ATOM 815 OD2 ASP A 54 2.226 5.521 8.338 1.00 44.43 O ATOM 0 H ASP A 54 1.568 4.141 5.190 1.00 5.53 H new ATOM 0 HA ASP A 54 0.921 7.025 5.100 1.00 11.23 H new ATOM 0 HB2 ASP A 54 3.397 5.689 6.173 1.00 61.32 H new ATOM 0 HB3 ASP A 54 3.107 7.412 6.043 1.00 61.32 H new ATOM 820 N LEU A 55 2.623 7.253 3.175 1.00 52.31 N ATOM 821 CA LEU A 55 3.182 7.273 1.861 1.00 14.43 C ATOM 822 C LEU A 55 4.523 7.949 1.768 1.00 30.32 C ATOM 823 O LEU A 55 4.681 9.168 1.989 1.00 64.44 O ATOM 824 CB LEU A 55 2.165 7.817 0.870 1.00 12.24 C ATOM 825 CG LEU A 55 2.600 8.140 -0.559 1.00 53.12 C ATOM 826 CD1 LEU A 55 3.365 7.005 -1.138 1.00 3.32 C ATOM 827 CD2 LEU A 55 1.364 8.398 -1.418 1.00 31.24 C ATOM 0 H LEU A 55 2.480 8.171 3.596 1.00 52.31 H new ATOM 0 HA LEU A 55 3.402 6.240 1.592 1.00 14.43 H new ATOM 0 HB2 LEU A 55 1.352 7.094 0.808 1.00 12.24 H new ATOM 0 HB3 LEU A 55 1.749 8.729 1.298 1.00 12.24 H new ATOM 0 HG LEU A 55 3.236 9.025 -0.540 1.00 53.12 H new ATOM 0 HD11 LEU A 55 3.667 7.251 -2.156 1.00 3.32 H new ATOM 0 HD12 LEU A 55 4.251 6.817 -0.532 1.00 3.32 H new ATOM 0 HD13 LEU A 55 2.738 6.113 -1.151 1.00 3.32 H new ATOM 0 HD21 LEU A 55 1.671 8.629 -2.438 1.00 31.24 H new ATOM 0 HD22 LEU A 55 0.732 7.510 -1.422 1.00 31.24 H new ATOM 0 HD23 LEU A 55 0.805 9.240 -1.008 1.00 31.24 H new ATOM 839 N GLU A 56 5.463 7.146 1.408 1.00 3.24 N ATOM 840 CA GLU A 56 6.810 7.545 1.184 1.00 22.21 C ATOM 841 C GLU A 56 7.112 7.635 -0.270 1.00 53.44 C ATOM 842 O GLU A 56 6.536 6.927 -1.103 1.00 64.21 O ATOM 843 CB GLU A 56 7.813 6.680 1.922 1.00 74.21 C ATOM 844 CG GLU A 56 7.913 7.023 3.382 1.00 31.54 C ATOM 845 CD GLU A 56 8.457 8.427 3.583 1.00 2.44 C ATOM 846 OE1 GLU A 56 7.685 9.406 3.476 1.00 15.24 O ATOM 847 OE2 GLU A 56 9.673 8.564 3.830 1.00 10.21 O ATOM 0 H GLU A 56 5.308 6.150 1.255 1.00 3.24 H new ATOM 0 HA GLU A 56 6.914 8.545 1.605 1.00 22.21 H new ATOM 0 HB2 GLU A 56 7.529 5.633 1.818 1.00 74.21 H new ATOM 0 HB3 GLU A 56 8.793 6.792 1.459 1.00 74.21 H new ATOM 0 HG2 GLU A 56 6.930 6.942 3.845 1.00 31.54 H new ATOM 0 HG3 GLU A 56 8.561 6.304 3.883 1.00 31.54 H new ATOM 854 N GLU A 57 8.008 8.485 -0.566 1.00 2.34 N ATOM 855 CA GLU A 57 8.311 8.843 -1.905 1.00 11.04 C ATOM 856 C GLU A 57 9.620 8.229 -2.349 1.00 1.13 C ATOM 857 O GLU A 57 10.619 8.283 -1.633 1.00 31.12 O ATOM 858 CB GLU A 57 8.317 10.354 -1.965 1.00 51.51 C ATOM 859 CG GLU A 57 6.947 10.921 -1.598 1.00 64.24 C ATOM 860 CD GLU A 57 6.961 12.373 -1.262 1.00 23.40 C ATOM 861 OE1 GLU A 57 7.015 13.213 -2.178 1.00 21.03 O ATOM 862 OE2 GLU A 57 6.887 12.702 -0.046 1.00 25.43 O ATOM 0 H GLU A 57 8.573 8.971 0.130 1.00 2.34 H new ATOM 0 HA GLU A 57 7.565 8.455 -2.599 1.00 11.04 H new ATOM 0 HB2 GLU A 57 9.071 10.746 -1.283 1.00 51.51 H new ATOM 0 HB3 GLU A 57 8.593 10.681 -2.967 1.00 51.51 H new ATOM 0 HG2 GLU A 57 6.263 10.758 -2.431 1.00 64.24 H new ATOM 0 HG3 GLU A 57 6.552 10.366 -0.747 1.00 64.24 H new ATOM 869 N LYS A 58 9.589 7.619 -3.502 1.00 32.13 N ATOM 870 CA LYS A 58 10.739 6.973 -4.074 1.00 73.02 C ATOM 871 C LYS A 58 11.222 7.767 -5.278 1.00 14.43 C ATOM 872 O LYS A 58 10.859 7.459 -6.425 1.00 12.12 O ATOM 873 CB LYS A 58 10.400 5.514 -4.480 1.00 72.02 C ATOM 874 CG LYS A 58 11.543 4.717 -5.108 1.00 61.43 C ATOM 875 CD LYS A 58 11.069 3.343 -5.569 1.00 54.12 C ATOM 876 CE LYS A 58 12.195 2.547 -6.224 1.00 10.35 C ATOM 877 NZ LYS A 58 11.726 1.240 -6.745 1.00 24.15 N ATOM 0 H LYS A 58 8.751 7.556 -4.080 1.00 32.13 H new ATOM 0 HA LYS A 58 11.535 6.938 -3.330 1.00 73.02 H new ATOM 0 HB2 LYS A 58 10.054 4.981 -3.594 1.00 72.02 H new ATOM 0 HB3 LYS A 58 9.568 5.536 -5.184 1.00 72.02 H new ATOM 0 HG2 LYS A 58 11.951 5.267 -5.956 1.00 61.43 H new ATOM 0 HG3 LYS A 58 12.350 4.602 -4.385 1.00 61.43 H new ATOM 0 HD2 LYS A 58 10.679 2.788 -4.716 1.00 54.12 H new ATOM 0 HD3 LYS A 58 10.247 3.460 -6.276 1.00 54.12 H new ATOM 0 HE2 LYS A 58 12.623 3.129 -7.040 1.00 10.35 H new ATOM 0 HE3 LYS A 58 12.991 2.383 -5.498 1.00 10.35 H new ATOM 0 HZ1 LYS A 58 12.523 0.734 -7.181 1.00 24.15 H new ATOM 0 HZ2 LYS A 58 11.341 0.672 -5.963 1.00 24.15 H new ATOM 0 HZ3 LYS A 58 10.984 1.396 -7.457 1.00 24.15 H new ATOM 891 N GLN A 59 11.941 8.862 -5.005 1.00 74.54 N ATOM 892 CA GLN A 59 12.552 9.725 -6.043 1.00 13.13 C ATOM 893 C GLN A 59 11.466 10.336 -7.002 1.00 73.52 C ATOM 894 O GLN A 59 11.772 10.911 -8.053 1.00 41.04 O ATOM 895 CB GLN A 59 13.625 8.890 -6.804 1.00 43.33 C ATOM 896 CG GLN A 59 14.449 9.623 -7.849 1.00 13.15 C ATOM 897 CD GLN A 59 15.469 8.712 -8.501 1.00 52.12 C ATOM 898 OE1 GLN A 59 15.189 8.060 -9.510 1.00 42.45 O ATOM 899 NE2 GLN A 59 16.653 8.655 -7.946 1.00 33.42 N ATOM 0 H GLN A 59 12.121 9.183 -4.054 1.00 74.54 H new ATOM 0 HA GLN A 59 13.038 10.582 -5.576 1.00 13.13 H new ATOM 0 HB2 GLN A 59 14.309 8.465 -6.069 1.00 43.33 H new ATOM 0 HB3 GLN A 59 13.122 8.055 -7.292 1.00 43.33 H new ATOM 0 HG2 GLN A 59 13.787 10.033 -8.612 1.00 13.15 H new ATOM 0 HG3 GLN A 59 14.959 10.466 -7.384 1.00 13.15 H new ATOM 0 HE21 GLN A 59 16.852 9.207 -7.112 1.00 33.42 H new ATOM 0 HE22 GLN A 59 17.376 8.059 -8.348 1.00 33.42 H new ATOM 908 N GLY A 60 10.213 10.246 -6.590 1.00 62.04 N ATOM 909 CA GLY A 60 9.122 10.726 -7.404 1.00 43.51 C ATOM 910 C GLY A 60 7.998 9.727 -7.457 1.00 53.33 C ATOM 911 O GLY A 60 6.841 10.086 -7.682 1.00 21.21 O ATOM 0 H GLY A 60 9.931 9.844 -5.696 1.00 62.04 H new ATOM 0 HA2 GLY A 60 8.754 11.670 -7.002 1.00 43.51 H new ATOM 0 HA3 GLY A 60 9.480 10.927 -8.414 1.00 43.51 H new ATOM 915 N LYS A 61 8.336 8.472 -7.248 1.00 43.11 N ATOM 916 CA LYS A 61 7.353 7.408 -7.231 1.00 52.23 C ATOM 917 C LYS A 61 6.734 7.341 -5.842 1.00 14.33 C ATOM 918 O LYS A 61 7.286 7.900 -4.895 1.00 61.24 O ATOM 919 CB LYS A 61 8.005 6.064 -7.593 1.00 4.31 C ATOM 920 CG LYS A 61 8.685 6.028 -8.963 1.00 54.11 C ATOM 921 CD LYS A 61 7.705 6.207 -10.118 1.00 73.33 C ATOM 922 CE LYS A 61 6.700 5.069 -10.192 1.00 24.00 C ATOM 923 NZ LYS A 61 5.786 5.215 -11.339 1.00 25.41 N ATOM 0 H LYS A 61 9.294 8.161 -7.086 1.00 43.11 H new ATOM 0 HA LYS A 61 6.579 7.613 -7.971 1.00 52.23 H new ATOM 0 HB2 LYS A 61 8.743 5.818 -6.830 1.00 4.31 H new ATOM 0 HB3 LYS A 61 7.242 5.286 -7.561 1.00 4.31 H new ATOM 0 HG2 LYS A 61 9.440 6.813 -9.009 1.00 54.11 H new ATOM 0 HG3 LYS A 61 9.206 5.078 -9.079 1.00 54.11 H new ATOM 0 HD2 LYS A 61 7.175 7.152 -10.001 1.00 73.33 H new ATOM 0 HD3 LYS A 61 8.257 6.265 -11.056 1.00 73.33 H new ATOM 0 HE2 LYS A 61 7.231 4.120 -10.270 1.00 24.00 H new ATOM 0 HE3 LYS A 61 6.121 5.035 -9.269 1.00 24.00 H new ATOM 0 HZ1 LYS A 61 5.117 4.419 -11.353 1.00 25.41 H new ATOM 0 HZ2 LYS A 61 5.260 6.108 -11.252 1.00 25.41 H new ATOM 0 HZ3 LYS A 61 6.335 5.221 -12.222 1.00 25.41 H new ATOM 937 N ALA A 62 5.635 6.662 -5.716 1.00 70.44 N ATOM 938 CA ALA A 62 4.904 6.633 -4.470 1.00 21.31 C ATOM 939 C ALA A 62 4.736 5.205 -3.965 1.00 71.02 C ATOM 940 O ALA A 62 4.134 4.377 -4.654 1.00 2.45 O ATOM 941 CB ALA A 62 3.538 7.274 -4.700 1.00 23.33 C ATOM 0 H ALA A 62 5.215 6.112 -6.465 1.00 70.44 H new ATOM 0 HA ALA A 62 5.459 7.186 -3.712 1.00 21.31 H new ATOM 0 HB1 ALA A 62 2.969 7.262 -3.770 1.00 23.33 H new ATOM 0 HB2 ALA A 62 3.671 8.304 -5.031 1.00 23.33 H new ATOM 0 HB3 ALA A 62 2.997 6.714 -5.463 1.00 23.33 H new ATOM 947 N TYR A 63 5.259 4.914 -2.771 1.00 64.34 N ATOM 948 CA TYR A 63 5.096 3.586 -2.189 1.00 71.45 C ATOM 949 C TYR A 63 4.483 3.633 -0.797 1.00 2.20 C ATOM 950 O TYR A 63 4.869 4.446 0.054 1.00 62.44 O ATOM 951 CB TYR A 63 6.388 2.753 -2.199 1.00 11.20 C ATOM 952 CG TYR A 63 7.555 3.291 -1.390 1.00 23.51 C ATOM 953 CD1 TYR A 63 8.385 4.283 -1.884 1.00 40.31 C ATOM 954 CD2 TYR A 63 7.826 2.788 -0.127 1.00 12.13 C ATOM 955 CE1 TYR A 63 9.452 4.759 -1.139 1.00 74.41 C ATOM 956 CE2 TYR A 63 8.884 3.257 0.620 1.00 25.30 C ATOM 957 CZ TYR A 63 9.694 4.239 0.113 1.00 72.13 C ATOM 958 OH TYR A 63 10.760 4.706 0.865 1.00 64.41 O ATOM 0 H TYR A 63 5.790 5.570 -2.199 1.00 64.34 H new ATOM 0 HA TYR A 63 4.391 3.073 -2.843 1.00 71.45 H new ATOM 0 HB2 TYR A 63 6.151 1.754 -1.832 1.00 11.20 H new ATOM 0 HB3 TYR A 63 6.714 2.643 -3.233 1.00 11.20 H new ATOM 0 HD1 TYR A 63 8.198 4.692 -2.866 1.00 40.31 H new ATOM 0 HD2 TYR A 63 7.194 2.012 0.280 1.00 12.13 H new ATOM 0 HE1 TYR A 63 10.090 5.533 -1.538 1.00 74.41 H new ATOM 0 HE2 TYR A 63 9.075 2.852 1.603 1.00 25.30 H new ATOM 0 HH TYR A 63 10.787 4.233 1.723 1.00 64.41 H new ATOM 968 N ALA A 64 3.518 2.778 -0.597 1.00 54.40 N ATOM 969 CA ALA A 64 2.788 2.667 0.656 1.00 42.31 C ATOM 970 C ALA A 64 3.599 1.912 1.686 1.00 4.43 C ATOM 971 O ALA A 64 4.234 0.890 1.373 1.00 34.25 O ATOM 972 CB ALA A 64 1.460 1.966 0.415 1.00 64.10 C ATOM 0 H ALA A 64 3.203 2.120 -1.310 1.00 54.40 H new ATOM 0 HA ALA A 64 2.601 3.670 1.041 1.00 42.31 H new ATOM 0 HB1 ALA A 64 0.916 1.884 1.356 1.00 64.10 H new ATOM 0 HB2 ALA A 64 0.869 2.541 -0.298 1.00 64.10 H new ATOM 0 HB3 ALA A 64 1.642 0.969 0.014 1.00 64.10 H new ATOM 978 N VAL A 65 3.579 2.419 2.902 1.00 24.13 N ATOM 979 CA VAL A 65 4.301 1.843 4.031 1.00 74.15 C ATOM 980 C VAL A 65 3.454 1.932 5.279 1.00 64.23 C ATOM 981 O VAL A 65 2.437 2.618 5.276 1.00 64.43 O ATOM 982 CB VAL A 65 5.678 2.537 4.301 1.00 23.23 C ATOM 983 CG1 VAL A 65 6.641 2.334 3.154 1.00 12.03 C ATOM 984 CG2 VAL A 65 5.505 4.025 4.593 1.00 74.03 C ATOM 0 H VAL A 65 3.052 3.258 3.143 1.00 24.13 H new ATOM 0 HA VAL A 65 4.505 0.804 3.771 1.00 74.15 H new ATOM 0 HB VAL A 65 6.103 2.062 5.185 1.00 23.23 H new ATOM 0 HG11 VAL A 65 7.585 2.830 3.379 1.00 12.03 H new ATOM 0 HG12 VAL A 65 6.817 1.268 3.011 1.00 12.03 H new ATOM 0 HG13 VAL A 65 6.217 2.757 2.243 1.00 12.03 H new ATOM 0 HG21 VAL A 65 6.480 4.476 4.776 1.00 74.03 H new ATOM 0 HG22 VAL A 65 5.035 4.511 3.738 1.00 74.03 H new ATOM 0 HG23 VAL A 65 4.876 4.152 5.474 1.00 74.03 H new ATOM 994 N ASN A 66 3.886 1.235 6.338 1.00 62.44 N ATOM 995 CA ASN A 66 3.209 1.239 7.655 1.00 43.14 C ATOM 996 C ASN A 66 1.741 0.860 7.507 1.00 34.33 C ATOM 997 O ASN A 66 0.841 1.681 7.737 1.00 21.21 O ATOM 998 CB ASN A 66 3.321 2.612 8.316 1.00 53.41 C ATOM 999 CG ASN A 66 2.939 2.610 9.799 1.00 33.41 C ATOM 1000 OD1 ASN A 66 3.109 1.609 10.512 1.00 44.54 O ATOM 1001 ND2 ASN A 66 2.441 3.718 10.271 1.00 21.52 N ATOM 0 H ASN A 66 4.719 0.647 6.312 1.00 62.44 H new ATOM 0 HA ASN A 66 3.703 0.501 8.287 1.00 43.14 H new ATOM 0 HB2 ASN A 66 4.344 2.973 8.213 1.00 53.41 H new ATOM 0 HB3 ASN A 66 2.680 3.315 7.785 1.00 53.41 H new ATOM 0 HD21 ASN A 66 2.178 3.781 11.254 1.00 21.52 H new ATOM 0 HD22 ASN A 66 2.314 4.523 9.657 1.00 21.52 H new ATOM 1008 N LEU A 67 1.491 -0.349 7.062 1.00 31.34 N ATOM 1009 CA LEU A 67 0.132 -0.743 6.786 1.00 73.12 C ATOM 1010 C LEU A 67 -0.684 -1.006 8.022 1.00 55.15 C ATOM 1011 O LEU A 67 -0.238 -1.650 8.980 1.00 61.41 O ATOM 1012 CB LEU A 67 0.020 -1.924 5.843 1.00 71.25 C ATOM 1013 CG LEU A 67 0.633 -1.779 4.456 1.00 25.40 C ATOM 1014 CD1 LEU A 67 0.170 -2.894 3.610 1.00 61.21 C ATOM 1015 CD2 LEU A 67 0.287 -0.460 3.811 1.00 74.43 C ATOM 0 H LEU A 67 2.197 -1.064 6.886 1.00 31.34 H new ATOM 0 HA LEU A 67 -0.286 0.130 6.285 1.00 73.12 H new ATOM 0 HB2 LEU A 67 0.482 -2.785 6.326 1.00 71.25 H new ATOM 0 HB3 LEU A 67 -1.038 -2.157 5.720 1.00 71.25 H new ATOM 0 HG LEU A 67 1.718 -1.805 4.560 1.00 25.40 H new ATOM 0 HD11 LEU A 67 0.603 -2.800 2.614 1.00 61.21 H new ATOM 0 HD12 LEU A 67 0.481 -3.840 4.053 1.00 61.21 H new ATOM 0 HD13 LEU A 67 -0.917 -2.868 3.536 1.00 61.21 H new ATOM 0 HD21 LEU A 67 0.748 -0.405 2.825 1.00 74.43 H new ATOM 0 HD22 LEU A 67 -0.795 -0.376 3.711 1.00 74.43 H new ATOM 0 HD23 LEU A 67 0.658 0.356 4.430 1.00 74.43 H new ATOM 1027 N ARG A 68 -1.864 -0.502 7.978 1.00 31.21 N ATOM 1028 CA ARG A 68 -2.850 -0.660 8.967 1.00 43.31 C ATOM 1029 C ARG A 68 -4.048 -1.275 8.274 1.00 3.41 C ATOM 1030 O ARG A 68 -4.467 -0.780 7.234 1.00 50.40 O ATOM 1031 CB ARG A 68 -3.252 0.713 9.447 1.00 51.00 C ATOM 1032 CG ARG A 68 -2.197 1.557 10.105 1.00 1.23 C ATOM 1033 CD ARG A 68 -1.705 0.920 11.343 1.00 13.02 C ATOM 1034 NE ARG A 68 -0.741 1.771 12.040 1.00 54.52 N ATOM 1035 CZ ARG A 68 -0.030 1.410 13.102 1.00 43.44 C ATOM 1036 NH1 ARG A 68 -0.196 0.200 13.641 1.00 12.54 N ATOM 1037 NH2 ARG A 68 0.825 2.266 13.641 1.00 62.22 N ATOM 0 H ARG A 68 -2.181 0.069 7.194 1.00 31.21 H new ATOM 0 HA ARG A 68 -2.498 -1.269 9.800 1.00 43.31 H new ATOM 0 HB2 ARG A 68 -3.641 1.267 8.593 1.00 51.00 H new ATOM 0 HB3 ARG A 68 -4.075 0.595 10.152 1.00 51.00 H new ATOM 0 HG2 ARG A 68 -1.367 1.710 9.416 1.00 1.23 H new ATOM 0 HG3 ARG A 68 -2.605 2.541 10.336 1.00 1.23 H new ATOM 0 HD2 ARG A 68 -2.546 0.707 12.002 1.00 13.02 H new ATOM 0 HD3 ARG A 68 -1.240 -0.035 11.101 1.00 13.02 H new ATOM 0 HE ARG A 68 -0.604 2.716 11.682 1.00 54.52 H new ATOM 0 HH11 ARG A 68 -0.870 -0.450 13.237 1.00 12.54 H new ATOM 0 HH12 ARG A 68 0.352 -0.074 14.457 1.00 12.54 H new ATOM 0 HH21 ARG A 68 0.935 3.198 13.240 1.00 62.22 H new ATOM 0 HH22 ARG A 68 1.373 1.994 14.457 1.00 62.22 H new ATOM 1051 N ILE A 69 -4.604 -2.304 8.818 1.00 51.23 N ATOM 1052 CA ILE A 69 -5.728 -2.953 8.167 1.00 25.52 C ATOM 1053 C ILE A 69 -7.057 -2.697 8.823 1.00 52.42 C ATOM 1054 O ILE A 69 -7.191 -2.760 10.051 1.00 2.12 O ATOM 1055 CB ILE A 69 -5.512 -4.478 7.852 1.00 31.12 C ATOM 1056 CG1 ILE A 69 -4.758 -5.251 8.971 1.00 53.53 C ATOM 1057 CG2 ILE A 69 -4.882 -4.695 6.496 1.00 22.14 C ATOM 1058 CD1 ILE A 69 -5.487 -5.357 10.288 1.00 54.25 C ATOM 0 H ILE A 69 -4.314 -2.722 9.702 1.00 51.23 H new ATOM 0 HA ILE A 69 -5.767 -2.454 7.199 1.00 25.52 H new ATOM 0 HB ILE A 69 -6.513 -4.909 7.823 1.00 31.12 H new ATOM 0 HG12 ILE A 69 -4.543 -6.257 8.612 1.00 53.53 H new ATOM 0 HG13 ILE A 69 -3.799 -4.762 9.144 1.00 53.53 H new ATOM 0 HG21 ILE A 69 -4.752 -5.763 6.322 1.00 22.14 H new ATOM 0 HG22 ILE A 69 -5.528 -4.277 5.724 1.00 22.14 H new ATOM 0 HG23 ILE A 69 -3.911 -4.201 6.463 1.00 22.14 H new ATOM 0 HD11 ILE A 69 -4.876 -5.914 10.998 1.00 54.25 H new ATOM 0 HD12 ILE A 69 -5.679 -4.358 10.679 1.00 54.25 H new ATOM 0 HD13 ILE A 69 -6.434 -5.876 10.139 1.00 54.25 H new ATOM 1070 N LYS A 70 -8.019 -2.327 8.011 1.00 72.53 N ATOM 1071 CA LYS A 70 -9.377 -2.174 8.457 1.00 31.30 C ATOM 1072 C LYS A 70 -9.995 -3.560 8.690 1.00 24.10 C ATOM 1073 O LYS A 70 -10.329 -4.254 7.695 1.00 38.15 O ATOM 1074 CB LYS A 70 -10.201 -1.407 7.434 1.00 63.40 C ATOM 1075 CG LYS A 70 -11.621 -1.189 7.876 1.00 13.00 C ATOM 1076 CD LYS A 70 -12.440 -0.524 6.804 1.00 40.22 C ATOM 1077 CE LYS A 70 -13.862 -0.342 7.254 1.00 34.20 C ATOM 1078 NZ LYS A 70 -14.698 0.238 6.194 1.00 4.41 N ATOM 1079 OXT LYS A 70 -10.153 -3.963 9.858 1.00 38.15 O ATOM 0 H LYS A 70 -7.878 -2.124 7.021 1.00 72.53 H new ATOM 0 HA LYS A 70 -9.378 -1.608 9.389 1.00 31.30 H new ATOM 0 HB2 LYS A 70 -9.731 -0.441 7.246 1.00 63.40 H new ATOM 0 HB3 LYS A 70 -10.199 -1.952 6.490 1.00 63.40 H new ATOM 0 HG2 LYS A 70 -12.072 -2.146 8.138 1.00 13.00 H new ATOM 0 HG3 LYS A 70 -11.632 -0.575 8.776 1.00 13.00 H new ATOM 0 HD2 LYS A 70 -12.005 0.445 6.556 1.00 40.22 H new ATOM 0 HD3 LYS A 70 -12.416 -1.126 5.896 1.00 40.22 H new ATOM 0 HE2 LYS A 70 -14.274 -1.305 7.556 1.00 34.20 H new ATOM 0 HE3 LYS A 70 -13.886 0.305 8.131 1.00 34.20 H new ATOM 0 HZ1 LYS A 70 -15.672 0.349 6.541 1.00 4.41 H new ATOM 0 HZ2 LYS A 70 -14.319 1.168 5.923 1.00 4.41 H new ATOM 0 HZ3 LYS A 70 -14.695 -0.392 5.366 1.00 4.41 H new TER 1093 LYS A 70