USER MOD reduce.3.24.130724 H: found=0, std=0, add=871, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 869 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 75 THR OG1 : rot 144:sc= 1.2 USER MOD Set 1.2: A 88 GLN : amide:sc= -0.165 K(o=1,f=-4.8) USER MOD Set 2.1: A 73 ASN : amide:sc= 0.885 K(o=0.41,f=-7.1!) USER MOD Set 2.2: A 92 SER OG : rot -120:sc= -0.472 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -0.109 K(o=-0.11,f=-2.1!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 170:sc= -0.147 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 40 HIS : no HD1:sc= -2.32! C(o=-2.3!,f=-4.5!) USER MOD Single : A 43 ASN : amide:sc= -0.0171 K(o=-0.017,f=-0.99) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.00568 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -50:sc= 0.0606 USER MOD Single : A 64 GLN : amide:sc= -0.748 K(o=-0.75,f=-1.8) USER MOD Single : A 66 ASN : amide:sc= -0.508 X(o=-0.51,f=-0.15) USER MOD Single : A 71 MET CE :methyl -152:sc= -0.25 (180deg=-1.46) USER MOD Single : A 77 MET CE :methyl -154:sc= -3.18 (180deg=-4.01!) USER MOD Single : A 82 HIS : no HD1:sc= -0.204 X(o=-0.2,f=-0.0017) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= -0.656 X(o=-0.66,f=-0.31) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.191 -26.981 -16.920 1.00 0.00 N ATOM 2 CA GLY A 1 -7.013 -26.799 -18.103 1.00 0.00 C ATOM 3 C GLY A 1 -8.443 -27.253 -17.890 1.00 0.00 C ATOM 4 O GLY A 1 -9.386 -26.523 -18.198 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.223 -26.656 -17.117 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.588 -26.429 -16.133 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.172 -27.988 -16.662 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.008 -25.747 -18.387 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.578 -27.356 -18.933 1.00 0.00 H new ATOM 8 N SER A 2 -8.607 -28.462 -17.364 1.00 0.00 N ATOM 9 CA SER A 2 -9.933 -29.015 -17.116 1.00 0.00 C ATOM 10 C SER A 2 -10.458 -28.578 -15.752 1.00 0.00 C ATOM 11 O SER A 2 -10.329 -29.301 -14.764 1.00 0.00 O ATOM 12 CB SER A 2 -9.895 -30.543 -17.195 1.00 0.00 C ATOM 13 OG SER A 2 -9.735 -30.980 -18.533 1.00 0.00 O ATOM 0 H SER A 2 -7.838 -29.078 -17.101 1.00 0.00 H new ATOM 0 HA SER A 2 -10.607 -28.635 -17.884 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.075 -30.922 -16.585 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.816 -30.955 -16.782 1.00 0.00 H new ATOM 0 HG SER A 2 -9.712 -31.959 -18.557 1.00 0.00 H new ATOM 19 N SER A 3 -11.049 -27.389 -15.705 1.00 0.00 N ATOM 20 CA SER A 3 -11.590 -26.852 -14.462 1.00 0.00 C ATOM 21 C SER A 3 -13.115 -26.818 -14.503 1.00 0.00 C ATOM 22 O SER A 3 -13.711 -26.371 -15.482 1.00 0.00 O ATOM 23 CB SER A 3 -11.044 -25.445 -14.209 1.00 0.00 C ATOM 24 OG SER A 3 -9.742 -25.497 -13.653 1.00 0.00 O ATOM 0 H SER A 3 -11.166 -26.779 -16.514 1.00 0.00 H new ATOM 0 HA SER A 3 -11.280 -27.506 -13.647 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.021 -24.886 -15.145 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.710 -24.909 -13.533 1.00 0.00 H new ATOM 0 HG SER A 3 -9.414 -24.586 -13.502 1.00 0.00 H new ATOM 30 N GLY A 4 -13.741 -27.295 -13.431 1.00 0.00 N ATOM 31 CA GLY A 4 -15.190 -27.311 -13.364 1.00 0.00 C ATOM 32 C GLY A 4 -15.811 -26.048 -13.928 1.00 0.00 C ATOM 33 O GLY A 4 -16.133 -25.983 -15.114 1.00 0.00 O ATOM 0 H GLY A 4 -13.270 -27.671 -12.608 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.566 -28.174 -13.913 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.501 -27.433 -12.327 1.00 0.00 H new ATOM 37 N SER A 5 -15.979 -25.042 -13.075 1.00 0.00 N ATOM 38 CA SER A 5 -16.570 -23.776 -13.494 1.00 0.00 C ATOM 39 C SER A 5 -15.847 -22.599 -12.848 1.00 0.00 C ATOM 40 O SER A 5 -15.045 -22.776 -11.931 1.00 0.00 O ATOM 41 CB SER A 5 -18.056 -23.738 -13.130 1.00 0.00 C ATOM 42 OG SER A 5 -18.838 -24.402 -14.108 1.00 0.00 O ATOM 0 H SER A 5 -15.714 -25.079 -12.091 1.00 0.00 H new ATOM 0 HA SER A 5 -16.465 -23.695 -14.576 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.208 -24.208 -12.158 1.00 0.00 H new ATOM 0 HB3 SER A 5 -18.385 -22.703 -13.038 1.00 0.00 H new ATOM 0 HG SER A 5 -19.783 -24.365 -13.851 1.00 0.00 H new ATOM 48 N SER A 6 -16.137 -21.396 -13.334 1.00 0.00 N ATOM 49 CA SER A 6 -15.512 -20.188 -12.807 1.00 0.00 C ATOM 50 C SER A 6 -16.432 -19.490 -11.811 1.00 0.00 C ATOM 51 O SER A 6 -17.356 -18.775 -12.198 1.00 0.00 O ATOM 52 CB SER A 6 -15.158 -19.233 -13.949 1.00 0.00 C ATOM 53 OG SER A 6 -13.878 -19.526 -14.481 1.00 0.00 O ATOM 0 H SER A 6 -16.800 -21.232 -14.091 1.00 0.00 H new ATOM 0 HA SER A 6 -14.598 -20.478 -12.288 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.908 -19.309 -14.736 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.178 -18.205 -13.587 1.00 0.00 H new ATOM 0 HG SER A 6 -13.676 -18.903 -15.210 1.00 0.00 H new ATOM 59 N GLY A 7 -16.173 -19.703 -10.525 1.00 0.00 N ATOM 60 CA GLY A 7 -16.986 -19.088 -9.492 1.00 0.00 C ATOM 61 C GLY A 7 -16.198 -18.118 -8.634 1.00 0.00 C ATOM 62 O GLY A 7 -16.696 -17.053 -8.273 1.00 0.00 O ATOM 0 H GLY A 7 -15.414 -20.291 -10.180 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -17.821 -18.562 -9.956 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.412 -19.866 -8.858 1.00 0.00 H new ATOM 66 N MET A 8 -14.964 -18.489 -8.306 1.00 0.00 N ATOM 67 CA MET A 8 -14.106 -17.644 -7.484 1.00 0.00 C ATOM 68 C MET A 8 -14.082 -16.214 -8.015 1.00 0.00 C ATOM 69 O MET A 8 -14.557 -15.944 -9.117 1.00 0.00 O ATOM 70 CB MET A 8 -12.685 -18.209 -7.444 1.00 0.00 C ATOM 71 CG MET A 8 -12.469 -19.232 -6.340 1.00 0.00 C ATOM 72 SD MET A 8 -12.121 -18.469 -4.744 1.00 0.00 S ATOM 73 CE MET A 8 -10.358 -18.754 -4.609 1.00 0.00 C ATOM 0 H MET A 8 -14.537 -19.368 -8.597 1.00 0.00 H new ATOM 0 HA MET A 8 -14.513 -17.631 -6.473 1.00 0.00 H new ATOM 0 HB2 MET A 8 -12.459 -18.671 -8.405 1.00 0.00 H new ATOM 0 HB3 MET A 8 -11.980 -17.388 -7.311 1.00 0.00 H new ATOM 0 HG2 MET A 8 -13.356 -19.859 -6.253 1.00 0.00 H new ATOM 0 HG3 MET A 8 -11.641 -19.887 -6.613 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.993 -18.338 -3.670 1.00 0.00 H new ATOM 0 HE2 MET A 8 -10.160 -19.826 -4.632 1.00 0.00 H new ATOM 0 HE3 MET A 8 -9.847 -18.273 -5.443 1.00 0.00 H new ATOM 83 N GLU A 9 -13.527 -15.302 -7.223 1.00 0.00 N ATOM 84 CA GLU A 9 -13.443 -13.900 -7.614 1.00 0.00 C ATOM 85 C GLU A 9 -11.994 -13.422 -7.618 1.00 0.00 C ATOM 86 O GLU A 9 -11.083 -14.167 -7.258 1.00 0.00 O ATOM 87 CB GLU A 9 -14.275 -13.033 -6.668 1.00 0.00 C ATOM 88 CG GLU A 9 -13.637 -12.836 -5.303 1.00 0.00 C ATOM 89 CD GLU A 9 -14.569 -12.163 -4.314 1.00 0.00 C ATOM 90 OE1 GLU A 9 -15.686 -12.683 -4.106 1.00 0.00 O ATOM 91 OE2 GLU A 9 -14.183 -11.119 -3.749 1.00 0.00 O ATOM 0 H GLU A 9 -13.129 -15.509 -6.307 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.841 -13.807 -8.625 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -14.435 -12.058 -7.129 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -15.256 -13.490 -6.539 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -13.330 -13.804 -4.907 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -12.734 -12.235 -5.412 1.00 0.00 H new ATOM 98 N GLU A 10 -11.790 -12.174 -8.029 1.00 0.00 N ATOM 99 CA GLU A 10 -10.451 -11.597 -8.081 1.00 0.00 C ATOM 100 C GLU A 10 -10.428 -10.218 -7.429 1.00 0.00 C ATOM 101 O GLU A 10 -11.440 -9.747 -6.910 1.00 0.00 O ATOM 102 CB GLU A 10 -9.971 -11.496 -9.531 1.00 0.00 C ATOM 103 CG GLU A 10 -9.241 -12.737 -10.018 1.00 0.00 C ATOM 104 CD GLU A 10 -7.973 -13.012 -9.233 1.00 0.00 C ATOM 105 OE1 GLU A 10 -8.075 -13.564 -8.117 1.00 0.00 O ATOM 106 OE2 GLU A 10 -6.880 -12.677 -9.734 1.00 0.00 O ATOM 0 H GLU A 10 -12.533 -11.544 -8.330 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.778 -12.253 -7.528 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.829 -11.313 -10.177 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.310 -10.635 -9.627 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.905 -13.598 -9.942 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.993 -12.618 -11.073 1.00 0.00 H new ATOM 113 N VAL A 11 -9.265 -9.575 -7.460 1.00 0.00 N ATOM 114 CA VAL A 11 -9.108 -8.250 -6.872 1.00 0.00 C ATOM 115 C VAL A 11 -8.003 -7.466 -7.572 1.00 0.00 C ATOM 116 O VAL A 11 -6.924 -7.997 -7.837 1.00 0.00 O ATOM 117 CB VAL A 11 -8.788 -8.336 -5.368 1.00 0.00 C ATOM 118 CG1 VAL A 11 -7.423 -8.972 -5.148 1.00 0.00 C ATOM 119 CG2 VAL A 11 -8.852 -6.957 -4.730 1.00 0.00 C ATOM 0 H VAL A 11 -8.418 -9.950 -7.886 1.00 0.00 H new ATOM 0 HA VAL A 11 -10.058 -7.731 -7.004 1.00 0.00 H new ATOM 0 HB VAL A 11 -9.537 -8.967 -4.890 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.214 -9.024 -4.080 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.418 -9.978 -5.568 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.658 -8.370 -5.638 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.623 -7.037 -3.667 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.126 -6.300 -5.209 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.853 -6.544 -4.856 1.00 0.00 H new ATOM 129 N ILE A 12 -8.279 -6.200 -7.867 1.00 0.00 N ATOM 130 CA ILE A 12 -7.307 -5.343 -8.534 1.00 0.00 C ATOM 131 C ILE A 12 -6.481 -4.557 -7.522 1.00 0.00 C ATOM 132 O ILE A 12 -6.948 -3.567 -6.960 1.00 0.00 O ATOM 133 CB ILE A 12 -7.994 -4.356 -9.496 1.00 0.00 C ATOM 134 CG1 ILE A 12 -9.101 -5.062 -10.281 1.00 0.00 C ATOM 135 CG2 ILE A 12 -6.974 -3.743 -10.444 1.00 0.00 C ATOM 136 CD1 ILE A 12 -9.873 -4.140 -11.199 1.00 0.00 C ATOM 0 H ILE A 12 -9.167 -5.746 -7.655 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.649 -5.998 -9.106 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.444 -3.555 -8.910 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -8.661 -5.865 -10.872 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.794 -5.526 -9.579 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.475 -3.048 -11.118 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.217 -3.209 -9.869 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -6.498 -4.532 -11.026 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.641 -4.708 -11.723 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.343 -3.351 -10.611 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.192 -3.695 -11.925 1.00 0.00 H new ATOM 148 N TRP A 13 -5.251 -5.005 -7.296 1.00 0.00 N ATOM 149 CA TRP A 13 -4.358 -4.342 -6.352 1.00 0.00 C ATOM 150 C TRP A 13 -3.726 -3.103 -6.978 1.00 0.00 C ATOM 151 O TRP A 13 -2.819 -3.208 -7.802 1.00 0.00 O ATOM 152 CB TRP A 13 -3.266 -5.307 -5.888 1.00 0.00 C ATOM 153 CG TRP A 13 -3.786 -6.429 -5.041 1.00 0.00 C ATOM 154 CD1 TRP A 13 -4.394 -7.571 -5.477 1.00 0.00 C ATOM 155 CD2 TRP A 13 -3.744 -6.514 -3.612 1.00 0.00 C ATOM 156 NE1 TRP A 13 -4.733 -8.362 -4.405 1.00 0.00 N ATOM 157 CE2 TRP A 13 -4.345 -7.736 -3.250 1.00 0.00 C ATOM 158 CE3 TRP A 13 -3.257 -5.679 -2.603 1.00 0.00 C ATOM 159 CZ2 TRP A 13 -4.471 -8.139 -1.924 1.00 0.00 C ATOM 160 CZ3 TRP A 13 -3.383 -6.080 -1.287 1.00 0.00 C ATOM 161 CH2 TRP A 13 -3.985 -7.302 -0.957 1.00 0.00 C ATOM 0 H TRP A 13 -4.850 -5.824 -7.753 1.00 0.00 H new ATOM 0 HA TRP A 13 -4.948 -4.030 -5.490 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.764 -5.723 -6.761 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -2.517 -4.752 -5.323 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.581 -7.817 -6.512 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -5.198 -9.268 -4.461 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.790 -4.736 -2.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -4.936 -9.079 -1.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -3.011 -5.441 -0.499 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -4.067 -7.589 0.081 1.00 0.00 H new ATOM 172 N GLU A 14 -4.212 -1.931 -6.580 1.00 0.00 N ATOM 173 CA GLU A 14 -3.694 -0.673 -7.104 1.00 0.00 C ATOM 174 C GLU A 14 -2.625 -0.097 -6.179 1.00 0.00 C ATOM 175 O GLU A 14 -2.731 -0.196 -4.957 1.00 0.00 O ATOM 176 CB GLU A 14 -4.829 0.337 -7.281 1.00 0.00 C ATOM 177 CG GLU A 14 -6.020 -0.213 -8.048 1.00 0.00 C ATOM 178 CD GLU A 14 -6.758 0.859 -8.826 1.00 0.00 C ATOM 179 OE1 GLU A 14 -6.869 1.993 -8.317 1.00 0.00 O ATOM 180 OE2 GLU A 14 -7.225 0.562 -9.946 1.00 0.00 O ATOM 0 H GLU A 14 -4.963 -1.827 -5.897 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.240 -0.873 -8.075 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -5.163 0.671 -6.299 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.445 1.214 -7.802 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.679 -0.986 -8.736 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.709 -0.689 -7.350 1.00 0.00 H new ATOM 187 N GLN A 15 -1.598 0.502 -6.772 1.00 0.00 N ATOM 188 CA GLN A 15 -0.510 1.092 -6.002 1.00 0.00 C ATOM 189 C GLN A 15 -0.760 2.576 -5.755 1.00 0.00 C ATOM 190 O GLN A 15 -1.066 3.327 -6.682 1.00 0.00 O ATOM 191 CB GLN A 15 0.821 0.901 -6.731 1.00 0.00 C ATOM 192 CG GLN A 15 1.550 -0.375 -6.343 1.00 0.00 C ATOM 193 CD GLN A 15 2.505 -0.852 -7.419 1.00 0.00 C ATOM 194 OE1 GLN A 15 2.406 -0.447 -8.578 1.00 0.00 O ATOM 195 NE2 GLN A 15 3.439 -1.717 -7.041 1.00 0.00 N ATOM 0 H GLN A 15 -1.496 0.592 -7.783 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.464 0.585 -5.038 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.639 0.893 -7.806 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.465 1.755 -6.523 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.104 -0.206 -5.420 1.00 0.00 H new ATOM 0 HG3 GLN A 15 0.820 -1.158 -6.138 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.485 -2.026 -6.070 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.111 -2.072 -7.722 1.00 0.00 H new ATOM 204 N TYR A 16 -0.628 2.992 -4.501 1.00 0.00 N ATOM 205 CA TYR A 16 -0.842 4.386 -4.131 1.00 0.00 C ATOM 206 C TYR A 16 0.473 5.056 -3.744 1.00 0.00 C ATOM 207 O TYR A 16 1.049 4.762 -2.696 1.00 0.00 O ATOM 208 CB TYR A 16 -1.836 4.482 -2.973 1.00 0.00 C ATOM 209 CG TYR A 16 -3.180 3.858 -3.275 1.00 0.00 C ATOM 210 CD1 TYR A 16 -3.299 2.491 -3.497 1.00 0.00 C ATOM 211 CD2 TYR A 16 -4.330 4.634 -3.339 1.00 0.00 C ATOM 212 CE1 TYR A 16 -4.524 1.916 -3.774 1.00 0.00 C ATOM 213 CE2 TYR A 16 -5.560 4.068 -3.614 1.00 0.00 C ATOM 214 CZ TYR A 16 -5.652 2.709 -3.831 1.00 0.00 C ATOM 215 OH TYR A 16 -6.874 2.141 -4.106 1.00 0.00 O ATOM 0 H TYR A 16 -0.374 2.384 -3.723 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.252 4.905 -4.997 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.408 3.996 -2.096 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -1.981 5.531 -2.716 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.418 1.868 -3.452 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.262 5.699 -3.171 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.599 0.852 -3.945 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.444 4.686 -3.659 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.565 2.836 -4.108 1.00 0.00 H new ATOM 225 N THR A 17 0.943 5.960 -4.599 1.00 0.00 N ATOM 226 CA THR A 17 2.190 6.672 -4.348 1.00 0.00 C ATOM 227 C THR A 17 1.945 7.944 -3.546 1.00 0.00 C ATOM 228 O THR A 17 1.575 8.979 -4.101 1.00 0.00 O ATOM 229 CB THR A 17 2.902 7.038 -5.664 1.00 0.00 C ATOM 230 OG1 THR A 17 3.126 5.858 -6.444 1.00 0.00 O ATOM 231 CG2 THR A 17 4.228 7.729 -5.388 1.00 0.00 C ATOM 0 H THR A 17 0.479 6.216 -5.471 1.00 0.00 H new ATOM 0 HA THR A 17 2.827 6.000 -3.773 1.00 0.00 H new ATOM 0 HB THR A 17 2.262 7.724 -6.219 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.577 6.099 -7.280 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.712 7.978 -6.332 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.051 8.642 -4.819 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.873 7.063 -4.814 1.00 0.00 H new ATOM 239 N VAL A 18 2.154 7.862 -2.236 1.00 0.00 N ATOM 240 CA VAL A 18 1.957 9.008 -1.356 1.00 0.00 C ATOM 241 C VAL A 18 3.156 9.206 -0.435 1.00 0.00 C ATOM 242 O VAL A 18 3.929 8.278 -0.195 1.00 0.00 O ATOM 243 CB VAL A 18 0.687 8.847 -0.500 1.00 0.00 C ATOM 244 CG1 VAL A 18 -0.541 9.300 -1.276 1.00 0.00 C ATOM 245 CG2 VAL A 18 0.535 7.406 -0.039 1.00 0.00 C ATOM 0 H VAL A 18 2.460 7.013 -1.760 1.00 0.00 H new ATOM 0 HA VAL A 18 1.846 9.883 -1.996 1.00 0.00 H new ATOM 0 HB VAL A 18 0.782 9.479 0.383 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.429 9.179 -0.655 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.431 10.349 -1.551 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.644 8.697 -2.178 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.368 7.310 0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.461 6.752 -0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.402 7.121 0.557 1.00 0.00 H new ATOM 255 N THR A 19 3.305 10.423 0.079 1.00 0.00 N ATOM 256 CA THR A 19 4.410 10.744 0.974 1.00 0.00 C ATOM 257 C THR A 19 3.900 11.262 2.314 1.00 0.00 C ATOM 258 O THR A 19 2.970 12.068 2.366 1.00 0.00 O ATOM 259 CB THR A 19 5.348 11.796 0.353 1.00 0.00 C ATOM 260 OG1 THR A 19 5.262 11.748 -1.075 1.00 0.00 O ATOM 261 CG2 THR A 19 6.787 11.563 0.788 1.00 0.00 C ATOM 0 H THR A 19 2.674 11.202 -0.109 1.00 0.00 H new ATOM 0 HA THR A 19 4.966 9.820 1.133 1.00 0.00 H new ATOM 0 HB THR A 19 5.035 12.780 0.702 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.860 12.421 -1.462 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.430 12.318 0.337 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.854 11.631 1.874 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.109 10.573 0.466 1.00 0.00 H new ATOM 269 N LEU A 20 4.513 10.795 3.396 1.00 0.00 N ATOM 270 CA LEU A 20 4.122 11.212 4.737 1.00 0.00 C ATOM 271 C LEU A 20 5.126 12.205 5.314 1.00 0.00 C ATOM 272 O LEU A 20 6.333 12.065 5.119 1.00 0.00 O ATOM 273 CB LEU A 20 4.004 9.996 5.657 1.00 0.00 C ATOM 274 CG LEU A 20 3.219 8.807 5.101 1.00 0.00 C ATOM 275 CD1 LEU A 20 3.702 7.508 5.727 1.00 0.00 C ATOM 276 CD2 LEU A 20 1.728 8.994 5.341 1.00 0.00 C ATOM 0 H LEU A 20 5.283 10.127 3.370 1.00 0.00 H new ATOM 0 HA LEU A 20 3.152 11.704 4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.009 9.657 5.908 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.533 10.314 6.587 1.00 0.00 H new ATOM 0 HG LEU A 20 3.391 8.754 4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.132 6.673 5.319 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.760 7.368 5.504 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.561 7.550 6.807 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.185 8.139 4.939 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.539 9.073 6.412 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.391 9.904 4.845 1.00 0.00 H new ATOM 288 N GLN A 21 4.618 13.206 6.026 1.00 0.00 N ATOM 289 CA GLN A 21 5.472 14.221 6.633 1.00 0.00 C ATOM 290 C GLN A 21 5.542 14.040 8.146 1.00 0.00 C ATOM 291 O GLN A 21 4.515 13.944 8.818 1.00 0.00 O ATOM 292 CB GLN A 21 4.953 15.620 6.298 1.00 0.00 C ATOM 293 CG GLN A 21 4.642 15.817 4.823 1.00 0.00 C ATOM 294 CD GLN A 21 3.931 17.127 4.546 1.00 0.00 C ATOM 295 OE1 GLN A 21 3.865 18.005 5.407 1.00 0.00 O ATOM 296 NE2 GLN A 21 3.395 17.266 3.339 1.00 0.00 N ATOM 0 H GLN A 21 3.621 13.336 6.197 1.00 0.00 H new ATOM 0 HA GLN A 21 6.476 14.106 6.225 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.052 15.813 6.880 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.695 16.357 6.606 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.570 15.784 4.252 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.023 14.991 4.473 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.474 16.512 2.656 1.00 0.00 H new ATOM 0 HE22 GLN A 21 2.905 18.126 3.095 1.00 0.00 H new ATOM 305 N LYS A 22 6.759 13.995 8.675 1.00 0.00 N ATOM 306 CA LYS A 22 6.965 13.827 10.109 1.00 0.00 C ATOM 307 C LYS A 22 6.185 14.874 10.897 1.00 0.00 C ATOM 308 O LYS A 22 6.666 15.987 11.114 1.00 0.00 O ATOM 309 CB LYS A 22 8.454 13.924 10.447 1.00 0.00 C ATOM 310 CG LYS A 22 8.865 13.076 11.638 1.00 0.00 C ATOM 311 CD LYS A 22 10.275 12.534 11.477 1.00 0.00 C ATOM 312 CE LYS A 22 10.514 11.327 12.372 1.00 0.00 C ATOM 313 NZ LYS A 22 11.072 11.719 13.695 1.00 0.00 N ATOM 0 H LYS A 22 7.619 14.073 8.132 1.00 0.00 H new ATOM 0 HA LYS A 22 6.599 12.839 10.389 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.036 13.619 9.577 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.705 14.965 10.650 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.805 13.673 12.548 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.167 12.247 11.754 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.442 12.256 10.437 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.996 13.315 11.718 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.576 10.792 12.518 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.200 10.639 11.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.220 10.869 14.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.980 12.207 13.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.406 12.355 14.178 1.00 0.00 H new ATOM 327 N ASP A 23 4.980 14.511 11.324 1.00 0.00 N ATOM 328 CA ASP A 23 4.135 15.419 12.091 1.00 0.00 C ATOM 329 C ASP A 23 4.909 16.031 13.254 1.00 0.00 C ATOM 330 O ASP A 23 6.088 15.735 13.452 1.00 0.00 O ATOM 331 CB ASP A 23 2.902 14.682 12.614 1.00 0.00 C ATOM 332 CG ASP A 23 1.709 15.601 12.789 1.00 0.00 C ATOM 333 OD1 ASP A 23 1.584 16.566 12.007 1.00 0.00 O ATOM 334 OD2 ASP A 23 0.900 15.355 13.709 1.00 0.00 O ATOM 0 H ASP A 23 4.567 13.594 11.152 1.00 0.00 H new ATOM 0 HA ASP A 23 3.814 16.224 11.429 1.00 0.00 H new ATOM 0 HB2 ASP A 23 2.641 13.880 11.923 1.00 0.00 H new ATOM 0 HB3 ASP A 23 3.140 14.214 13.569 1.00 0.00 H new ATOM 339 N SER A 24 4.239 16.886 14.020 1.00 0.00 N ATOM 340 CA SER A 24 4.865 17.543 15.161 1.00 0.00 C ATOM 341 C SER A 24 5.816 16.592 15.881 1.00 0.00 C ATOM 342 O SER A 24 7.036 16.694 15.746 1.00 0.00 O ATOM 343 CB SER A 24 3.799 18.049 16.134 1.00 0.00 C ATOM 344 OG SER A 24 2.996 19.051 15.534 1.00 0.00 O ATOM 0 H SER A 24 3.262 17.140 13.871 1.00 0.00 H new ATOM 0 HA SER A 24 5.439 18.392 14.789 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.170 17.218 16.454 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.278 18.449 17.028 1.00 0.00 H new ATOM 0 HG SER A 24 2.321 19.357 16.175 1.00 0.00 H new ATOM 350 N LYS A 25 5.249 15.667 16.648 1.00 0.00 N ATOM 351 CA LYS A 25 6.044 14.695 17.390 1.00 0.00 C ATOM 352 C LYS A 25 5.852 13.291 16.826 1.00 0.00 C ATOM 353 O LYS A 25 6.803 12.665 16.357 1.00 0.00 O ATOM 354 CB LYS A 25 5.661 14.717 18.871 1.00 0.00 C ATOM 355 CG LYS A 25 6.419 15.756 19.680 1.00 0.00 C ATOM 356 CD LYS A 25 7.883 15.380 19.838 1.00 0.00 C ATOM 357 CE LYS A 25 8.749 16.605 20.085 1.00 0.00 C ATOM 358 NZ LYS A 25 10.118 16.234 20.539 1.00 0.00 N ATOM 0 H LYS A 25 4.241 15.570 16.772 1.00 0.00 H new ATOM 0 HA LYS A 25 7.094 14.968 17.288 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.592 14.910 18.958 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.843 13.731 19.299 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.342 16.727 19.190 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.960 15.858 20.664 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.993 14.682 20.668 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.226 14.865 18.941 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.817 17.192 19.169 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.277 17.238 20.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.677 17.097 20.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.055 15.695 21.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.579 15.651 19.812 1.00 0.00 H new ATOM 372 N ARG A 26 4.617 12.803 16.872 1.00 0.00 N ATOM 373 CA ARG A 26 4.302 11.473 16.365 1.00 0.00 C ATOM 374 C ARG A 26 5.135 11.151 15.127 1.00 0.00 C ATOM 375 O ARG A 26 5.671 10.052 14.996 1.00 0.00 O ATOM 376 CB ARG A 26 2.812 11.371 16.031 1.00 0.00 C ATOM 377 CG ARG A 26 1.903 11.579 17.231 1.00 0.00 C ATOM 378 CD ARG A 26 1.649 10.275 17.970 1.00 0.00 C ATOM 379 NE ARG A 26 0.918 10.486 19.217 1.00 0.00 N ATOM 380 CZ ARG A 26 1.433 11.100 20.276 1.00 0.00 C ATOM 381 NH1 ARG A 26 2.675 11.561 20.240 1.00 0.00 N ATOM 382 NH2 ARG A 26 0.704 11.253 21.374 1.00 0.00 N ATOM 0 H ARG A 26 3.818 13.309 17.255 1.00 0.00 H new ATOM 0 HA ARG A 26 4.544 10.749 17.143 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.568 12.111 15.268 1.00 0.00 H new ATOM 0 HB3 ARG A 26 2.611 10.390 15.600 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.355 12.301 17.910 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.954 12.002 16.901 1.00 0.00 H new ATOM 0 HD2 ARG A 26 1.084 9.599 17.328 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.601 9.789 18.185 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.041 10.143 19.278 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.238 11.445 19.397 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.068 12.032 21.055 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.252 10.899 21.405 1.00 0.00 H new ATOM 0 HH22 ARG A 26 1.100 11.725 22.187 1.00 0.00 H new ATOM 396 N GLY A 27 5.238 12.119 14.222 1.00 0.00 N ATOM 397 CA GLY A 27 6.006 11.919 13.007 1.00 0.00 C ATOM 398 C GLY A 27 5.158 11.398 11.864 1.00 0.00 C ATOM 399 O GLY A 27 4.108 11.960 11.554 1.00 0.00 O ATOM 0 H GLY A 27 4.804 13.038 14.308 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.467 12.862 12.713 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.816 11.216 13.204 1.00 0.00 H new ATOM 403 N PHE A 28 5.615 10.320 11.234 1.00 0.00 N ATOM 404 CA PHE A 28 4.892 9.725 10.116 1.00 0.00 C ATOM 405 C PHE A 28 3.574 9.115 10.584 1.00 0.00 C ATOM 406 O PHE A 28 2.781 8.628 9.779 1.00 0.00 O ATOM 407 CB PHE A 28 5.750 8.654 9.439 1.00 0.00 C ATOM 408 CG PHE A 28 7.097 9.154 9.002 1.00 0.00 C ATOM 409 CD1 PHE A 28 7.205 10.255 8.167 1.00 0.00 C ATOM 410 CD2 PHE A 28 8.256 8.523 9.426 1.00 0.00 C ATOM 411 CE1 PHE A 28 8.444 10.716 7.763 1.00 0.00 C ATOM 412 CE2 PHE A 28 9.497 8.980 9.026 1.00 0.00 C ATOM 413 CZ PHE A 28 9.591 10.079 8.194 1.00 0.00 C ATOM 0 H PHE A 28 6.482 9.841 11.479 1.00 0.00 H new ATOM 0 HA PHE A 28 4.672 10.514 9.397 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.887 7.820 10.128 1.00 0.00 H new ATOM 0 HB3 PHE A 28 5.216 8.267 8.571 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.311 10.758 7.828 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.188 7.664 10.077 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.515 11.574 7.111 1.00 0.00 H new ATOM 0 HE2 PHE A 28 10.392 8.479 9.363 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.560 10.439 7.881 1.00 0.00 H new ATOM 423 N GLY A 29 3.347 9.144 11.894 1.00 0.00 N ATOM 424 CA GLY A 29 2.125 8.591 12.448 1.00 0.00 C ATOM 425 C GLY A 29 1.711 7.302 11.766 1.00 0.00 C ATOM 426 O GLY A 29 0.596 7.194 11.253 1.00 0.00 O ATOM 0 H GLY A 29 3.988 9.541 12.581 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.264 8.407 13.513 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.323 9.323 12.353 1.00 0.00 H new ATOM 430 N ILE A 30 2.609 6.323 11.759 1.00 0.00 N ATOM 431 CA ILE A 30 2.330 5.036 11.134 1.00 0.00 C ATOM 432 C ILE A 30 3.121 3.917 11.803 1.00 0.00 C ATOM 433 O ILE A 30 4.149 4.162 12.435 1.00 0.00 O ATOM 434 CB ILE A 30 2.664 5.057 9.630 1.00 0.00 C ATOM 435 CG1 ILE A 30 4.050 5.663 9.401 1.00 0.00 C ATOM 436 CG2 ILE A 30 1.606 5.835 8.863 1.00 0.00 C ATOM 437 CD1 ILE A 30 4.678 5.255 8.087 1.00 0.00 C ATOM 0 H ILE A 30 3.536 6.396 12.179 1.00 0.00 H new ATOM 0 HA ILE A 30 1.264 4.849 11.259 1.00 0.00 H new ATOM 0 HB ILE A 30 2.671 4.032 9.261 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.973 6.750 9.436 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.708 5.364 10.217 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.856 5.841 7.802 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.634 5.363 9.004 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.569 6.860 9.232 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.659 5.722 7.992 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.788 4.171 8.057 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.041 5.578 7.264 1.00 0.00 H new ATOM 449 N ALA A 31 2.635 2.689 11.659 1.00 0.00 N ATOM 450 CA ALA A 31 3.298 1.531 12.247 1.00 0.00 C ATOM 451 C ALA A 31 3.086 0.286 11.394 1.00 0.00 C ATOM 452 O ALA A 31 1.992 0.051 10.881 1.00 0.00 O ATOM 453 CB ALA A 31 2.793 1.296 13.663 1.00 0.00 C ATOM 0 H ALA A 31 1.785 2.470 11.140 1.00 0.00 H new ATOM 0 HA ALA A 31 4.368 1.736 12.284 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.297 0.428 14.090 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.002 2.174 14.274 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.718 1.117 13.641 1.00 0.00 H new ATOM 459 N VAL A 32 4.140 -0.511 11.245 1.00 0.00 N ATOM 460 CA VAL A 32 4.069 -1.733 10.453 1.00 0.00 C ATOM 461 C VAL A 32 3.917 -2.958 11.348 1.00 0.00 C ATOM 462 O VAL A 32 4.259 -2.923 12.530 1.00 0.00 O ATOM 463 CB VAL A 32 5.322 -1.906 9.574 1.00 0.00 C ATOM 464 CG1 VAL A 32 5.357 -0.848 8.481 1.00 0.00 C ATOM 465 CG2 VAL A 32 6.582 -1.848 10.424 1.00 0.00 C ATOM 0 H VAL A 32 5.053 -0.332 11.663 1.00 0.00 H new ATOM 0 HA VAL A 32 3.193 -1.644 9.810 1.00 0.00 H new ATOM 0 HB VAL A 32 5.278 -2.885 9.098 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.249 -0.986 7.870 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.470 -0.942 7.855 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.377 0.143 8.934 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.457 -1.972 9.786 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.635 -0.884 10.930 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.558 -2.646 11.166 1.00 0.00 H new ATOM 475 N SER A 33 3.402 -4.042 10.775 1.00 0.00 N ATOM 476 CA SER A 33 3.201 -5.278 11.521 1.00 0.00 C ATOM 477 C SER A 33 3.567 -6.491 10.671 1.00 0.00 C ATOM 478 O SER A 33 3.390 -6.487 9.454 1.00 0.00 O ATOM 479 CB SER A 33 1.748 -5.388 11.987 1.00 0.00 C ATOM 480 OG SER A 33 0.902 -5.800 10.927 1.00 0.00 O ATOM 0 H SER A 33 3.117 -4.089 9.797 1.00 0.00 H new ATOM 0 HA SER A 33 3.854 -5.256 12.394 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.679 -6.100 12.809 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.412 -4.425 12.371 1.00 0.00 H new ATOM 0 HG SER A 33 0.015 -6.018 11.282 1.00 0.00 H new ATOM 486 N GLY A 34 4.080 -7.531 11.323 1.00 0.00 N ATOM 487 CA GLY A 34 4.463 -8.736 10.613 1.00 0.00 C ATOM 488 C GLY A 34 5.931 -8.743 10.233 1.00 0.00 C ATOM 489 O GLY A 34 6.671 -7.820 10.569 1.00 0.00 O ATOM 0 H GLY A 34 4.237 -7.559 12.330 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.248 -9.605 11.235 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.857 -8.831 9.712 1.00 0.00 H new ATOM 493 N GLY A 35 6.354 -9.790 9.531 1.00 0.00 N ATOM 494 CA GLY A 35 7.741 -9.895 9.118 1.00 0.00 C ATOM 495 C GLY A 35 8.025 -11.175 8.357 1.00 0.00 C ATOM 496 O GLY A 35 7.440 -12.219 8.646 1.00 0.00 O ATOM 0 H GLY A 35 5.761 -10.567 9.241 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.996 -9.040 8.492 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.383 -9.849 9.998 1.00 0.00 H new ATOM 500 N ARG A 36 8.923 -11.095 7.382 1.00 0.00 N ATOM 501 CA ARG A 36 9.281 -12.255 6.575 1.00 0.00 C ATOM 502 C ARG A 36 9.557 -13.468 7.460 1.00 0.00 C ATOM 503 O ARG A 36 9.504 -14.609 7.000 1.00 0.00 O ATOM 504 CB ARG A 36 10.509 -11.948 5.716 1.00 0.00 C ATOM 505 CG ARG A 36 11.792 -11.799 6.519 1.00 0.00 C ATOM 506 CD ARG A 36 12.491 -13.137 6.704 1.00 0.00 C ATOM 507 NE ARG A 36 13.902 -12.974 7.042 1.00 0.00 N ATOM 508 CZ ARG A 36 14.761 -13.985 7.120 1.00 0.00 C ATOM 509 NH1 ARG A 36 14.353 -15.224 6.884 1.00 0.00 N ATOM 510 NH2 ARG A 36 16.030 -13.757 7.434 1.00 0.00 N ATOM 0 H ARG A 36 9.417 -10.238 7.131 1.00 0.00 H new ATOM 0 HA ARG A 36 8.439 -12.485 5.923 1.00 0.00 H new ATOM 0 HB2 ARG A 36 10.639 -12.745 4.984 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.331 -11.029 5.158 1.00 0.00 H new ATOM 0 HG2 ARG A 36 12.462 -11.104 6.012 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.565 -11.368 7.494 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.992 -13.701 7.492 1.00 0.00 H new ATOM 0 HD3 ARG A 36 12.403 -13.722 5.789 1.00 0.00 H new ATOM 0 HE ARG A 36 14.247 -12.033 7.228 1.00 0.00 H new ATOM 0 HH11 ARG A 36 13.378 -15.403 6.642 1.00 0.00 H new ATOM 0 HH12 ARG A 36 15.014 -15.999 6.944 1.00 0.00 H new ATOM 0 HH21 ARG A 36 16.347 -12.805 7.616 1.00 0.00 H new ATOM 0 HH22 ARG A 36 16.688 -14.534 7.494 1.00 0.00 H new ATOM 524 N ASP A 37 9.850 -13.213 8.730 1.00 0.00 N ATOM 525 CA ASP A 37 10.133 -14.283 9.679 1.00 0.00 C ATOM 526 C ASP A 37 9.070 -14.335 10.772 1.00 0.00 C ATOM 527 O ASP A 37 8.899 -15.357 11.436 1.00 0.00 O ATOM 528 CB ASP A 37 11.515 -14.086 10.304 1.00 0.00 C ATOM 529 CG ASP A 37 11.938 -15.266 11.158 1.00 0.00 C ATOM 530 OD1 ASP A 37 11.253 -15.546 12.164 1.00 0.00 O ATOM 531 OD2 ASP A 37 12.953 -15.910 10.819 1.00 0.00 O ATOM 0 H ASP A 37 9.898 -12.274 9.126 1.00 0.00 H new ATOM 0 HA ASP A 37 10.119 -15.229 9.138 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.249 -13.932 9.513 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.509 -13.183 10.914 1.00 0.00 H new ATOM 536 N ASN A 38 8.359 -13.227 10.952 1.00 0.00 N ATOM 537 CA ASN A 38 7.314 -13.147 11.966 1.00 0.00 C ATOM 538 C ASN A 38 6.024 -12.586 11.374 1.00 0.00 C ATOM 539 O ASN A 38 5.520 -11.544 11.794 1.00 0.00 O ATOM 540 CB ASN A 38 7.774 -12.273 13.135 1.00 0.00 C ATOM 541 CG ASN A 38 8.696 -13.014 14.083 1.00 0.00 C ATOM 542 OD1 ASN A 38 8.318 -14.029 14.668 1.00 0.00 O ATOM 543 ND2 ASN A 38 9.914 -12.509 14.239 1.00 0.00 N ATOM 0 H ASN A 38 8.487 -12.373 10.410 1.00 0.00 H new ATOM 0 HA ASN A 38 7.118 -14.155 12.330 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.287 -11.393 12.747 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.902 -11.917 13.684 1.00 0.00 H new ATOM 0 HD21 ASN A 38 10.579 -12.965 14.864 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.185 -11.665 13.734 1.00 0.00 H new ATOM 550 N PRO A 39 5.476 -13.292 10.374 1.00 0.00 N ATOM 551 CA PRO A 39 4.238 -12.885 9.703 1.00 0.00 C ATOM 552 C PRO A 39 3.016 -13.027 10.605 1.00 0.00 C ATOM 553 O PRO A 39 2.266 -13.999 10.502 1.00 0.00 O ATOM 554 CB PRO A 39 4.143 -13.849 8.518 1.00 0.00 C ATOM 555 CG PRO A 39 4.911 -15.052 8.946 1.00 0.00 C ATOM 556 CD PRO A 39 6.022 -14.543 9.822 1.00 0.00 C ATOM 0 HA PRO A 39 4.257 -11.834 9.414 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.106 -14.100 8.294 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.567 -13.409 7.615 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.273 -15.749 9.490 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.308 -15.589 8.084 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.271 -15.255 10.609 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.934 -14.366 9.252 1.00 0.00 H new ATOM 564 N HIS A 40 2.822 -12.053 11.489 1.00 0.00 N ATOM 565 CA HIS A 40 1.690 -12.070 12.408 1.00 0.00 C ATOM 566 C HIS A 40 0.393 -12.387 11.668 1.00 0.00 C ATOM 567 O HIS A 40 -0.464 -13.109 12.177 1.00 0.00 O ATOM 568 CB HIS A 40 1.567 -10.725 13.124 1.00 0.00 C ATOM 569 CG HIS A 40 0.419 -10.660 14.084 1.00 0.00 C ATOM 570 ND1 HIS A 40 -0.873 -10.991 13.736 1.00 0.00 N ATOM 571 CD2 HIS A 40 0.376 -10.301 15.389 1.00 0.00 C ATOM 572 CE1 HIS A 40 -1.662 -10.836 14.784 1.00 0.00 C ATOM 573 NE2 HIS A 40 -0.929 -10.419 15.800 1.00 0.00 N ATOM 0 H HIS A 40 3.434 -11.243 11.588 1.00 0.00 H new ATOM 0 HA HIS A 40 1.866 -12.852 13.147 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.493 -10.524 13.663 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.453 -9.936 12.381 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.212 -9.982 15.994 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.726 -11.019 14.806 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -1.276 -10.217 16.738 1.00 0.00 H new ATOM 582 N PHE A 41 0.257 -11.841 10.464 1.00 0.00 N ATOM 583 CA PHE A 41 -0.936 -12.063 9.655 1.00 0.00 C ATOM 584 C PHE A 41 -1.514 -13.453 9.908 1.00 0.00 C ATOM 585 O PHE A 41 -0.987 -14.453 9.422 1.00 0.00 O ATOM 586 CB PHE A 41 -0.608 -11.899 8.169 1.00 0.00 C ATOM 587 CG PHE A 41 -1.765 -11.399 7.352 1.00 0.00 C ATOM 588 CD1 PHE A 41 -2.771 -12.263 6.951 1.00 0.00 C ATOM 589 CD2 PHE A 41 -1.846 -10.066 6.984 1.00 0.00 C ATOM 590 CE1 PHE A 41 -3.837 -11.807 6.199 1.00 0.00 C ATOM 591 CE2 PHE A 41 -2.910 -9.604 6.232 1.00 0.00 C ATOM 592 CZ PHE A 41 -3.906 -10.476 5.838 1.00 0.00 C ATOM 0 H PHE A 41 0.958 -11.242 10.027 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.681 -11.321 9.941 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.227 -11.207 8.064 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.279 -12.858 7.770 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.722 -13.305 7.229 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.069 -9.380 7.288 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.615 -12.491 5.894 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.962 -8.562 5.953 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.737 -10.118 5.249 1.00 0.00 H new ATOM 602 N GLU A 42 -2.600 -13.505 10.673 1.00 0.00 N ATOM 603 CA GLU A 42 -3.248 -14.771 10.993 1.00 0.00 C ATOM 604 C GLU A 42 -3.120 -15.756 9.834 1.00 0.00 C ATOM 605 O GLU A 42 -2.661 -16.883 10.012 1.00 0.00 O ATOM 606 CB GLU A 42 -4.725 -14.544 11.322 1.00 0.00 C ATOM 607 CG GLU A 42 -5.281 -15.530 12.337 1.00 0.00 C ATOM 608 CD GLU A 42 -4.882 -16.962 12.038 1.00 0.00 C ATOM 609 OE1 GLU A 42 -5.514 -17.581 11.156 1.00 0.00 O ATOM 610 OE2 GLU A 42 -3.939 -17.463 12.685 1.00 0.00 O ATOM 0 H GLU A 42 -3.049 -12.686 11.082 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.749 -15.195 11.865 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.852 -13.531 11.705 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.308 -14.613 10.404 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.929 -15.259 13.332 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.368 -15.455 12.353 1.00 0.00 H new ATOM 617 N ASN A 43 -3.529 -15.320 8.647 1.00 0.00 N ATOM 618 CA ASN A 43 -3.461 -16.163 7.458 1.00 0.00 C ATOM 619 C ASN A 43 -2.030 -16.626 7.201 1.00 0.00 C ATOM 620 O ASN A 43 -1.755 -17.824 7.146 1.00 0.00 O ATOM 621 CB ASN A 43 -3.991 -15.405 6.239 1.00 0.00 C ATOM 622 CG ASN A 43 -4.376 -16.333 5.104 1.00 0.00 C ATOM 623 OD1 ASN A 43 -4.893 -17.427 5.330 1.00 0.00 O ATOM 624 ND2 ASN A 43 -4.125 -15.900 3.874 1.00 0.00 N ATOM 0 H ASN A 43 -3.911 -14.389 8.483 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.083 -17.042 7.629 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -4.859 -14.814 6.531 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.231 -14.705 5.891 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -4.362 -16.481 3.070 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.695 -14.986 3.733 1.00 0.00 H new ATOM 631 N GLY A 44 -1.123 -15.667 7.044 1.00 0.00 N ATOM 632 CA GLY A 44 0.269 -15.996 6.795 1.00 0.00 C ATOM 633 C GLY A 44 0.815 -15.307 5.561 1.00 0.00 C ATOM 634 O GLY A 44 0.973 -15.932 4.512 1.00 0.00 O ATOM 0 H GLY A 44 -1.327 -14.668 7.085 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.867 -15.712 7.661 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.369 -17.075 6.679 1.00 0.00 H new ATOM 638 N GLU A 45 1.103 -14.015 5.684 1.00 0.00 N ATOM 639 CA GLU A 45 1.633 -13.240 4.568 1.00 0.00 C ATOM 640 C GLU A 45 2.899 -12.493 4.977 1.00 0.00 C ATOM 641 O GLU A 45 2.873 -11.642 5.866 1.00 0.00 O ATOM 642 CB GLU A 45 0.583 -12.249 4.063 1.00 0.00 C ATOM 643 CG GLU A 45 1.137 -11.215 3.097 1.00 0.00 C ATOM 644 CD GLU A 45 0.081 -10.238 2.619 1.00 0.00 C ATOM 645 OE1 GLU A 45 -0.830 -9.915 3.411 1.00 0.00 O ATOM 646 OE2 GLU A 45 0.164 -9.796 1.454 1.00 0.00 O ATOM 0 H GLU A 45 0.978 -13.483 6.545 1.00 0.00 H new ATOM 0 HA GLU A 45 1.885 -13.932 3.765 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.218 -12.801 3.571 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.140 -11.736 4.916 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.943 -10.664 3.583 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.572 -11.724 2.237 1.00 0.00 H new ATOM 653 N THR A 46 4.009 -12.818 4.320 1.00 0.00 N ATOM 654 CA THR A 46 5.286 -12.180 4.615 1.00 0.00 C ATOM 655 C THR A 46 5.396 -10.826 3.925 1.00 0.00 C ATOM 656 O THR A 46 6.391 -10.536 3.260 1.00 0.00 O ATOM 657 CB THR A 46 6.469 -13.064 4.178 1.00 0.00 C ATOM 658 OG1 THR A 46 6.284 -13.497 2.826 1.00 0.00 O ATOM 659 CG2 THR A 46 6.606 -14.275 5.089 1.00 0.00 C ATOM 0 H THR A 46 4.049 -13.519 3.580 1.00 0.00 H new ATOM 0 HA THR A 46 5.327 -12.039 5.695 1.00 0.00 H new ATOM 0 HB THR A 46 7.381 -12.472 4.248 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.041 -14.057 2.555 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.448 -14.884 4.760 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.776 -13.943 6.113 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.692 -14.867 5.047 1.00 0.00 H new ATOM 667 N SER A 47 4.368 -9.999 4.088 1.00 0.00 N ATOM 668 CA SER A 47 4.349 -8.674 3.477 1.00 0.00 C ATOM 669 C SER A 47 4.067 -7.599 4.522 1.00 0.00 C ATOM 670 O SER A 47 2.950 -7.489 5.029 1.00 0.00 O ATOM 671 CB SER A 47 3.294 -8.615 2.370 1.00 0.00 C ATOM 672 OG SER A 47 3.608 -9.512 1.319 1.00 0.00 O ATOM 0 H SER A 47 3.538 -10.222 4.637 1.00 0.00 H new ATOM 0 HA SER A 47 5.331 -8.486 3.043 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.315 -8.861 2.782 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.229 -7.600 1.979 1.00 0.00 H new ATOM 0 HG SER A 47 2.918 -9.457 0.625 1.00 0.00 H new ATOM 678 N ILE A 48 5.087 -6.808 4.838 1.00 0.00 N ATOM 679 CA ILE A 48 4.949 -5.740 5.820 1.00 0.00 C ATOM 680 C ILE A 48 3.717 -4.889 5.538 1.00 0.00 C ATOM 681 O ILE A 48 3.534 -4.391 4.427 1.00 0.00 O ATOM 682 CB ILE A 48 6.193 -4.832 5.843 1.00 0.00 C ATOM 683 CG1 ILE A 48 7.432 -5.637 6.241 1.00 0.00 C ATOM 684 CG2 ILE A 48 5.981 -3.668 6.799 1.00 0.00 C ATOM 685 CD1 ILE A 48 7.306 -6.315 7.587 1.00 0.00 C ATOM 0 H ILE A 48 6.018 -6.887 4.428 1.00 0.00 H new ATOM 0 HA ILE A 48 4.841 -6.219 6.793 1.00 0.00 H new ATOM 0 HB ILE A 48 6.350 -4.431 4.842 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.624 -6.393 5.479 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.297 -4.973 6.257 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.869 -3.035 6.804 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.120 -3.083 6.475 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.802 -4.050 7.804 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.221 -6.867 7.803 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.144 -5.563 8.359 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.462 -7.004 7.570 1.00 0.00 H new ATOM 697 N VAL A 49 2.873 -4.723 6.553 1.00 0.00 N ATOM 698 CA VAL A 49 1.659 -3.929 6.415 1.00 0.00 C ATOM 699 C VAL A 49 1.533 -2.916 7.548 1.00 0.00 C ATOM 700 O VAL A 49 2.056 -3.127 8.643 1.00 0.00 O ATOM 701 CB VAL A 49 0.403 -4.821 6.397 1.00 0.00 C ATOM 702 CG1 VAL A 49 0.016 -5.170 4.968 1.00 0.00 C ATOM 703 CG2 VAL A 49 0.634 -6.081 7.218 1.00 0.00 C ATOM 0 H VAL A 49 3.009 -5.128 7.479 1.00 0.00 H new ATOM 0 HA VAL A 49 1.733 -3.400 5.465 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.422 -4.267 6.846 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.873 -5.800 4.975 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.193 -4.255 4.414 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.836 -5.705 4.489 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.263 -6.700 7.195 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.471 -6.640 6.799 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.859 -5.807 8.249 1.00 0.00 H new ATOM 713 N ILE A 50 0.836 -1.818 7.278 1.00 0.00 N ATOM 714 CA ILE A 50 0.640 -0.774 8.275 1.00 0.00 C ATOM 715 C ILE A 50 -0.545 -1.093 9.180 1.00 0.00 C ATOM 716 O ILE A 50 -1.701 -0.929 8.788 1.00 0.00 O ATOM 717 CB ILE A 50 0.412 0.599 7.616 1.00 0.00 C ATOM 718 CG1 ILE A 50 1.685 1.065 6.905 1.00 0.00 C ATOM 719 CG2 ILE A 50 -0.025 1.621 8.655 1.00 0.00 C ATOM 720 CD1 ILE A 50 2.732 1.622 7.845 1.00 0.00 C ATOM 0 H ILE A 50 0.398 -1.628 6.377 1.00 0.00 H new ATOM 0 HA ILE A 50 1.551 -0.735 8.873 1.00 0.00 H new ATOM 0 HB ILE A 50 -0.382 0.502 6.875 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.112 0.227 6.354 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.424 1.828 6.172 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.182 2.586 8.173 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.954 1.292 9.120 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.748 1.718 9.418 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.606 1.932 7.273 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.323 2.481 8.377 1.00 0.00 H new ATOM 0 HD13 ILE A 50 3.022 0.855 8.563 1.00 0.00 H new ATOM 732 N SER A 51 -0.251 -1.548 10.394 1.00 0.00 N ATOM 733 CA SER A 51 -1.292 -1.893 11.355 1.00 0.00 C ATOM 734 C SER A 51 -1.609 -0.707 12.261 1.00 0.00 C ATOM 735 O SER A 51 -2.185 -0.869 13.336 1.00 0.00 O ATOM 736 CB SER A 51 -0.859 -3.093 12.199 1.00 0.00 C ATOM 737 OG SER A 51 -1.981 -3.756 12.756 1.00 0.00 O ATOM 0 H SER A 51 0.700 -1.686 10.735 1.00 0.00 H new ATOM 0 HA SER A 51 -2.193 -2.155 10.800 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.290 -3.789 11.582 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.196 -2.760 12.998 1.00 0.00 H new ATOM 0 HG SER A 51 -2.559 -3.102 13.203 1.00 0.00 H new ATOM 743 N ASP A 52 -1.228 0.486 11.817 1.00 0.00 N ATOM 744 CA ASP A 52 -1.472 1.701 12.586 1.00 0.00 C ATOM 745 C ASP A 52 -1.377 2.936 11.696 1.00 0.00 C ATOM 746 O ASP A 52 -0.324 3.227 11.130 1.00 0.00 O ATOM 747 CB ASP A 52 -0.472 1.810 13.738 1.00 0.00 C ATOM 748 CG ASP A 52 -0.451 0.568 14.607 1.00 0.00 C ATOM 749 OD1 ASP A 52 0.117 -0.453 14.168 1.00 0.00 O ATOM 750 OD2 ASP A 52 -1.005 0.617 15.726 1.00 0.00 O ATOM 0 H ASP A 52 -0.749 0.638 10.929 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.481 1.646 12.994 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.525 1.984 13.334 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.723 2.675 14.352 1.00 0.00 H new ATOM 755 N VAL A 53 -2.487 3.659 11.575 1.00 0.00 N ATOM 756 CA VAL A 53 -2.529 4.862 10.753 1.00 0.00 C ATOM 757 C VAL A 53 -3.082 6.046 11.540 1.00 0.00 C ATOM 758 O VAL A 53 -4.295 6.246 11.611 1.00 0.00 O ATOM 759 CB VAL A 53 -3.389 4.651 9.493 1.00 0.00 C ATOM 760 CG1 VAL A 53 -3.572 5.963 8.745 1.00 0.00 C ATOM 761 CG2 VAL A 53 -2.763 3.597 8.592 1.00 0.00 C ATOM 0 H VAL A 53 -3.368 3.432 12.036 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.503 5.076 10.452 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.373 4.296 9.801 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.182 5.794 7.858 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.067 6.686 9.394 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.598 6.351 8.447 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.384 3.460 7.706 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.767 3.921 8.291 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.689 2.653 9.133 1.00 0.00 H new ATOM 771 N LEU A 54 -2.185 6.828 12.130 1.00 0.00 N ATOM 772 CA LEU A 54 -2.582 7.993 12.912 1.00 0.00 C ATOM 773 C LEU A 54 -3.840 8.634 12.334 1.00 0.00 C ATOM 774 O LEU A 54 -3.819 9.250 11.268 1.00 0.00 O ATOM 775 CB LEU A 54 -1.447 9.017 12.951 1.00 0.00 C ATOM 776 CG LEU A 54 -1.358 9.873 14.215 1.00 0.00 C ATOM 777 CD1 LEU A 54 -1.039 9.007 15.424 1.00 0.00 C ATOM 778 CD2 LEU A 54 -0.311 10.965 14.048 1.00 0.00 C ATOM 0 H LEU A 54 -1.178 6.676 12.082 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.799 7.661 13.927 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.502 8.487 12.828 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.554 9.681 12.093 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.326 10.348 14.378 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.979 9.633 16.314 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.824 8.263 15.556 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.084 8.504 15.270 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.262 11.564 14.957 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.662 10.511 13.860 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.582 11.603 13.207 1.00 0.00 H new ATOM 790 N PRO A 55 -4.963 8.488 13.053 1.00 0.00 N ATOM 791 CA PRO A 55 -6.251 9.048 12.633 1.00 0.00 C ATOM 792 C PRO A 55 -6.277 10.570 12.718 1.00 0.00 C ATOM 793 O PRO A 55 -7.287 11.201 12.412 1.00 0.00 O ATOM 794 CB PRO A 55 -7.243 8.440 13.626 1.00 0.00 C ATOM 795 CG PRO A 55 -6.430 8.135 14.836 1.00 0.00 C ATOM 796 CD PRO A 55 -5.061 7.766 14.333 1.00 0.00 C ATOM 0 HA PRO A 55 -6.475 8.818 11.591 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.049 9.136 13.856 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.705 7.539 13.222 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.382 8.997 15.501 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.870 7.317 15.406 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.281 8.074 15.029 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.960 6.689 14.196 1.00 0.00 H new ATOM 804 N GLY A 56 -5.158 11.154 13.136 1.00 0.00 N ATOM 805 CA GLY A 56 -5.074 12.598 13.254 1.00 0.00 C ATOM 806 C GLY A 56 -3.741 13.142 12.780 1.00 0.00 C ATOM 807 O GLY A 56 -3.392 14.287 13.066 1.00 0.00 O ATOM 0 H GLY A 56 -4.308 10.653 13.395 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.876 13.054 12.674 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.231 12.884 14.294 1.00 0.00 H new ATOM 811 N GLY A 57 -2.992 12.319 12.052 1.00 0.00 N ATOM 812 CA GLY A 57 -1.697 12.741 11.551 1.00 0.00 C ATOM 813 C GLY A 57 -1.640 12.760 10.037 1.00 0.00 C ATOM 814 O GLY A 57 -2.659 12.889 9.357 1.00 0.00 O ATOM 0 H GLY A 57 -3.259 11.367 11.800 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.470 13.736 11.933 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.927 12.070 11.932 1.00 0.00 H new ATOM 818 N PRO A 58 -0.424 12.632 9.485 1.00 0.00 N ATOM 819 CA PRO A 58 -0.209 12.634 8.035 1.00 0.00 C ATOM 820 C PRO A 58 -0.753 11.375 7.367 1.00 0.00 C ATOM 821 O PRO A 58 -1.347 11.440 6.291 1.00 0.00 O ATOM 822 CB PRO A 58 1.315 12.694 7.902 1.00 0.00 C ATOM 823 CG PRO A 58 1.829 12.103 9.170 1.00 0.00 C ATOM 824 CD PRO A 58 0.834 12.476 10.234 1.00 0.00 C ATOM 0 HA PRO A 58 -0.726 13.461 7.547 1.00 0.00 H new ATOM 0 HB2 PRO A 58 1.659 12.131 7.035 1.00 0.00 H new ATOM 0 HB3 PRO A 58 1.661 13.720 7.774 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.923 11.020 9.086 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.819 12.491 9.408 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.754 11.703 10.998 1.00 0.00 H new ATOM 0 HD3 PRO A 58 1.116 13.398 10.742 1.00 0.00 H new ATOM 832 N ALA A 59 -0.545 10.232 8.011 1.00 0.00 N ATOM 833 CA ALA A 59 -1.016 8.959 7.480 1.00 0.00 C ATOM 834 C ALA A 59 -2.516 8.999 7.208 1.00 0.00 C ATOM 835 O ALA A 59 -2.970 8.635 6.124 1.00 0.00 O ATOM 836 CB ALA A 59 -0.683 7.829 8.444 1.00 0.00 C ATOM 0 H ALA A 59 -0.053 10.161 8.902 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.506 8.777 6.534 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.041 6.884 8.035 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.397 7.778 8.585 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.166 8.015 9.403 1.00 0.00 H new ATOM 842 N ASP A 60 -3.280 9.444 8.200 1.00 0.00 N ATOM 843 CA ASP A 60 -4.730 9.532 8.067 1.00 0.00 C ATOM 844 C ASP A 60 -5.115 10.215 6.758 1.00 0.00 C ATOM 845 O ASP A 60 -5.264 11.435 6.702 1.00 0.00 O ATOM 846 CB ASP A 60 -5.326 10.297 9.249 1.00 0.00 C ATOM 847 CG ASP A 60 -6.572 11.073 8.868 1.00 0.00 C ATOM 848 OD1 ASP A 60 -7.628 10.438 8.667 1.00 0.00 O ATOM 849 OD2 ASP A 60 -6.490 12.316 8.771 1.00 0.00 O ATOM 0 H ASP A 60 -2.920 9.749 9.104 1.00 0.00 H new ATOM 0 HA ASP A 60 -5.132 8.519 8.060 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.568 9.595 10.047 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.580 10.985 9.646 1.00 0.00 H new ATOM 854 N GLY A 61 -5.274 9.418 5.705 1.00 0.00 N ATOM 855 CA GLY A 61 -5.639 9.962 4.411 1.00 0.00 C ATOM 856 C GLY A 61 -4.836 9.354 3.278 1.00 0.00 C ATOM 857 O GLY A 61 -5.402 8.810 2.328 1.00 0.00 O ATOM 0 H GLY A 61 -5.156 8.405 5.726 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -6.700 9.788 4.234 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.490 11.042 4.419 1.00 0.00 H new ATOM 861 N LEU A 62 -3.515 9.446 3.376 1.00 0.00 N ATOM 862 CA LEU A 62 -2.632 8.901 2.350 1.00 0.00 C ATOM 863 C LEU A 62 -2.679 7.377 2.345 1.00 0.00 C ATOM 864 O LEU A 62 -3.062 6.761 1.349 1.00 0.00 O ATOM 865 CB LEU A 62 -1.196 9.377 2.580 1.00 0.00 C ATOM 866 CG LEU A 62 -1.005 10.887 2.727 1.00 0.00 C ATOM 867 CD1 LEU A 62 0.310 11.193 3.427 1.00 0.00 C ATOM 868 CD2 LEU A 62 -1.058 11.566 1.367 1.00 0.00 C ATOM 0 H LEU A 62 -3.031 9.893 4.155 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.977 9.260 1.380 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.814 8.893 3.479 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.583 9.033 1.747 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.818 11.279 3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.429 12.272 3.523 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.309 10.739 4.418 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.136 10.788 2.843 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.920 12.640 1.491 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.266 11.170 0.731 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.026 11.376 0.903 1.00 0.00 H new ATOM 880 N LEU A 63 -2.290 6.774 3.463 1.00 0.00 N ATOM 881 CA LEU A 63 -2.290 5.320 3.588 1.00 0.00 C ATOM 882 C LEU A 63 -3.398 4.855 4.527 1.00 0.00 C ATOM 883 O LEU A 63 -4.074 5.669 5.155 1.00 0.00 O ATOM 884 CB LEU A 63 -0.933 4.833 4.100 1.00 0.00 C ATOM 885 CG LEU A 63 0.270 5.140 3.208 1.00 0.00 C ATOM 886 CD1 LEU A 63 1.568 4.835 3.940 1.00 0.00 C ATOM 887 CD2 LEU A 63 0.189 4.350 1.911 1.00 0.00 C ATOM 0 H LEU A 63 -1.971 7.269 4.296 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.473 4.894 2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.756 5.277 5.080 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.987 3.754 4.244 1.00 0.00 H new ATOM 0 HG LEU A 63 0.255 6.202 2.964 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.414 5.059 3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.630 5.446 4.840 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.592 3.781 4.215 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.054 4.582 1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.178 3.283 2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.723 4.618 1.378 1.00 0.00 H new ATOM 899 N GLN A 64 -3.575 3.541 4.620 1.00 0.00 N ATOM 900 CA GLN A 64 -4.600 2.968 5.484 1.00 0.00 C ATOM 901 C GLN A 64 -4.099 1.690 6.149 1.00 0.00 C ATOM 902 O GLN A 64 -3.039 1.173 5.800 1.00 0.00 O ATOM 903 CB GLN A 64 -5.869 2.675 4.681 1.00 0.00 C ATOM 904 CG GLN A 64 -5.973 1.234 4.211 1.00 0.00 C ATOM 905 CD GLN A 64 -7.304 0.928 3.554 1.00 0.00 C ATOM 906 OE1 GLN A 64 -8.235 1.732 3.608 1.00 0.00 O ATOM 907 NE2 GLN A 64 -7.402 -0.239 2.928 1.00 0.00 N ATOM 0 H GLN A 64 -3.022 2.854 4.108 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.831 3.695 6.263 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.739 2.912 5.293 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.900 3.334 3.814 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -5.168 1.027 3.506 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.830 0.567 5.062 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.605 -0.875 2.908 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.274 -0.499 2.467 1.00 0.00 H new ATOM 916 N GLU A 65 -4.870 1.187 7.109 1.00 0.00 N ATOM 917 CA GLU A 65 -4.502 -0.029 7.823 1.00 0.00 C ATOM 918 C GLU A 65 -4.457 -1.224 6.875 1.00 0.00 C ATOM 919 O GLU A 65 -5.305 -1.365 5.996 1.00 0.00 O ATOM 920 CB GLU A 65 -5.494 -0.301 8.957 1.00 0.00 C ATOM 921 CG GLU A 65 -4.870 -0.991 10.159 1.00 0.00 C ATOM 922 CD GLU A 65 -5.859 -1.862 10.909 1.00 0.00 C ATOM 923 OE1 GLU A 65 -6.702 -1.306 11.643 1.00 0.00 O ATOM 924 OE2 GLU A 65 -5.788 -3.100 10.763 1.00 0.00 O ATOM 0 H GLU A 65 -5.752 1.603 7.409 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.508 0.115 8.246 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.933 0.643 9.278 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.308 -0.918 8.576 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.031 -1.603 9.827 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.467 -0.238 10.837 1.00 0.00 H new ATOM 931 N ASN A 66 -3.459 -2.082 7.062 1.00 0.00 N ATOM 932 CA ASN A 66 -3.301 -3.265 6.223 1.00 0.00 C ATOM 933 C ASN A 66 -2.804 -2.883 4.832 1.00 0.00 C ATOM 934 O ASN A 66 -3.301 -3.386 3.824 1.00 0.00 O ATOM 935 CB ASN A 66 -4.628 -4.019 6.113 1.00 0.00 C ATOM 936 CG ASN A 66 -5.371 -4.077 7.434 1.00 0.00 C ATOM 937 OD1 ASN A 66 -4.819 -4.498 8.451 1.00 0.00 O ATOM 938 ND2 ASN A 66 -6.629 -3.653 7.425 1.00 0.00 N ATOM 0 H ASN A 66 -2.748 -1.980 7.786 1.00 0.00 H new ATOM 0 HA ASN A 66 -2.559 -3.914 6.689 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.257 -3.535 5.366 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -4.439 -5.033 5.761 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.178 -3.668 8.284 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -7.046 -3.312 6.559 1.00 0.00 H new ATOM 945 N ASP A 67 -1.821 -1.991 4.785 1.00 0.00 N ATOM 946 CA ASP A 67 -1.256 -1.542 3.518 1.00 0.00 C ATOM 947 C ASP A 67 -0.036 -2.377 3.142 1.00 0.00 C ATOM 948 O ASP A 67 1.033 -2.235 3.735 1.00 0.00 O ATOM 949 CB ASP A 67 -0.871 -0.064 3.602 1.00 0.00 C ATOM 950 CG ASP A 67 -2.020 0.855 3.237 1.00 0.00 C ATOM 951 OD1 ASP A 67 -3.162 0.362 3.126 1.00 0.00 O ATOM 952 OD2 ASP A 67 -1.778 2.068 3.062 1.00 0.00 O ATOM 0 H ASP A 67 -1.399 -1.564 5.610 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.014 -1.669 2.745 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.534 0.164 4.613 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.030 0.128 2.935 1.00 0.00 H new ATOM 957 N ARG A 68 -0.205 -3.249 2.153 1.00 0.00 N ATOM 958 CA ARG A 68 0.881 -4.109 1.699 1.00 0.00 C ATOM 959 C ARG A 68 2.082 -3.279 1.254 1.00 0.00 C ATOM 960 O ARG A 68 2.175 -2.874 0.095 1.00 0.00 O ATOM 961 CB ARG A 68 0.409 -5.000 0.549 1.00 0.00 C ATOM 962 CG ARG A 68 -0.120 -6.351 1.002 1.00 0.00 C ATOM 963 CD ARG A 68 -1.257 -6.197 2.001 1.00 0.00 C ATOM 964 NE ARG A 68 -2.233 -7.278 1.889 1.00 0.00 N ATOM 965 CZ ARG A 68 -3.248 -7.441 2.730 1.00 0.00 C ATOM 966 NH1 ARG A 68 -3.419 -6.599 3.739 1.00 0.00 N ATOM 967 NH2 ARG A 68 -4.094 -8.449 2.563 1.00 0.00 N ATOM 0 H ARG A 68 -1.084 -3.378 1.651 1.00 0.00 H new ATOM 0 HA ARG A 68 1.186 -4.739 2.535 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.373 -4.480 -0.005 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.238 -5.157 -0.141 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.468 -6.915 0.137 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.688 -6.926 1.454 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.851 -6.178 3.012 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.755 -5.241 1.839 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.129 -7.944 1.123 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.770 -5.823 3.871 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.199 -6.727 4.383 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.965 -9.100 1.788 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.873 -8.573 3.209 1.00 0.00 H new ATOM 981 N VAL A 69 2.999 -3.029 2.183 1.00 0.00 N ATOM 982 CA VAL A 69 4.194 -2.248 1.886 1.00 0.00 C ATOM 983 C VAL A 69 5.054 -2.938 0.833 1.00 0.00 C ATOM 984 O VAL A 69 5.464 -4.086 1.005 1.00 0.00 O ATOM 985 CB VAL A 69 5.041 -2.015 3.152 1.00 0.00 C ATOM 986 CG1 VAL A 69 6.138 -0.997 2.881 1.00 0.00 C ATOM 987 CG2 VAL A 69 4.159 -1.566 4.307 1.00 0.00 C ATOM 0 H VAL A 69 2.937 -3.356 3.147 1.00 0.00 H new ATOM 0 HA VAL A 69 3.856 -1.286 1.501 1.00 0.00 H new ATOM 0 HB VAL A 69 5.514 -2.957 3.430 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.726 -0.846 3.786 1.00 0.00 H new ATOM 0 HG12 VAL A 69 6.786 -1.364 2.085 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.690 -0.051 2.577 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.773 -1.406 5.193 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.657 -0.636 4.041 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.414 -2.334 4.516 1.00 0.00 H new ATOM 997 N VAL A 70 5.325 -2.229 -0.259 1.00 0.00 N ATOM 998 CA VAL A 70 6.138 -2.772 -1.341 1.00 0.00 C ATOM 999 C VAL A 70 7.545 -2.186 -1.318 1.00 0.00 C ATOM 1000 O VAL A 70 8.528 -2.911 -1.171 1.00 0.00 O ATOM 1001 CB VAL A 70 5.500 -2.495 -2.715 1.00 0.00 C ATOM 1002 CG1 VAL A 70 6.052 -3.451 -3.762 1.00 0.00 C ATOM 1003 CG2 VAL A 70 3.985 -2.601 -2.630 1.00 0.00 C ATOM 0 H VAL A 70 4.993 -1.278 -0.417 1.00 0.00 H new ATOM 0 HA VAL A 70 6.194 -3.849 -1.186 1.00 0.00 H new ATOM 0 HB VAL A 70 5.753 -1.479 -3.016 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.590 -3.241 -4.727 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.131 -3.321 -3.841 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.831 -4.478 -3.470 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.551 -2.402 -3.610 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.708 -3.605 -2.307 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.609 -1.872 -1.912 1.00 0.00 H new ATOM 1013 N MET A 71 7.633 -0.868 -1.465 1.00 0.00 N ATOM 1014 CA MET A 71 8.921 -0.183 -1.459 1.00 0.00 C ATOM 1015 C MET A 71 8.894 1.018 -0.520 1.00 0.00 C ATOM 1016 O MET A 71 7.855 1.653 -0.337 1.00 0.00 O ATOM 1017 CB MET A 71 9.288 0.269 -2.874 1.00 0.00 C ATOM 1018 CG MET A 71 10.193 1.490 -2.906 1.00 0.00 C ATOM 1019 SD MET A 71 11.016 1.703 -4.496 1.00 0.00 S ATOM 1020 CE MET A 71 12.056 0.245 -4.537 1.00 0.00 C ATOM 0 H MET A 71 6.829 -0.253 -1.590 1.00 0.00 H new ATOM 0 HA MET A 71 9.676 -0.884 -1.102 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.782 -0.553 -3.393 1.00 0.00 H new ATOM 0 HB3 MET A 71 8.374 0.490 -3.425 1.00 0.00 H new ATOM 0 HG2 MET A 71 9.604 2.380 -2.684 1.00 0.00 H new ATOM 0 HG3 MET A 71 10.944 1.401 -2.121 1.00 0.00 H new ATOM 0 HE1 MET A 71 12.942 0.447 -5.140 1.00 0.00 H new ATOM 0 HE2 MET A 71 12.359 -0.014 -3.523 1.00 0.00 H new ATOM 0 HE3 MET A 71 11.501 -0.585 -4.974 1.00 0.00 H new ATOM 1030 N VAL A 72 10.043 1.325 0.075 1.00 0.00 N ATOM 1031 CA VAL A 72 10.150 2.451 0.995 1.00 0.00 C ATOM 1032 C VAL A 72 11.442 3.228 0.764 1.00 0.00 C ATOM 1033 O VAL A 72 12.528 2.763 1.107 1.00 0.00 O ATOM 1034 CB VAL A 72 10.101 1.984 2.462 1.00 0.00 C ATOM 1035 CG1 VAL A 72 10.297 3.161 3.404 1.00 0.00 C ATOM 1036 CG2 VAL A 72 8.788 1.272 2.750 1.00 0.00 C ATOM 0 H VAL A 72 10.912 0.810 -0.064 1.00 0.00 H new ATOM 0 HA VAL A 72 9.297 3.101 0.800 1.00 0.00 H new ATOM 0 HB VAL A 72 10.915 1.278 2.628 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.259 2.811 4.436 1.00 0.00 H new ATOM 0 HG12 VAL A 72 11.266 3.623 3.213 1.00 0.00 H new ATOM 0 HG13 VAL A 72 9.507 3.894 3.240 1.00 0.00 H new ATOM 0 HG21 VAL A 72 8.770 0.949 3.791 1.00 0.00 H new ATOM 0 HG22 VAL A 72 7.957 1.953 2.567 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.695 0.403 2.099 1.00 0.00 H new ATOM 1046 N ASN A 73 11.315 4.415 0.179 1.00 0.00 N ATOM 1047 CA ASN A 73 12.473 5.257 -0.098 1.00 0.00 C ATOM 1048 C ASN A 73 13.481 4.524 -0.979 1.00 0.00 C ATOM 1049 O ASN A 73 14.689 4.701 -0.836 1.00 0.00 O ATOM 1050 CB ASN A 73 13.140 5.690 1.209 1.00 0.00 C ATOM 1051 CG ASN A 73 12.517 6.945 1.788 1.00 0.00 C ATOM 1052 OD1 ASN A 73 11.749 7.636 1.119 1.00 0.00 O ATOM 1053 ND2 ASN A 73 12.847 7.246 3.039 1.00 0.00 N ATOM 0 H ASN A 73 10.423 4.815 -0.112 1.00 0.00 H new ATOM 0 HA ASN A 73 12.127 6.142 -0.632 1.00 0.00 H new ATOM 0 HB2 ASN A 73 13.066 4.882 1.937 1.00 0.00 H new ATOM 0 HB3 ASN A 73 14.202 5.863 1.032 1.00 0.00 H new ATOM 0 HD21 ASN A 73 12.460 8.079 3.482 1.00 0.00 H new ATOM 0 HD22 ASN A 73 13.488 6.644 3.556 1.00 0.00 H new ATOM 1060 N GLY A 74 12.973 3.700 -1.891 1.00 0.00 N ATOM 1061 CA GLY A 74 13.842 2.953 -2.781 1.00 0.00 C ATOM 1062 C GLY A 74 14.370 1.683 -2.145 1.00 0.00 C ATOM 1063 O GLY A 74 15.479 1.241 -2.449 1.00 0.00 O ATOM 0 H GLY A 74 11.976 3.537 -2.029 1.00 0.00 H new ATOM 0 HA2 GLY A 74 13.296 2.700 -3.690 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.681 3.583 -3.078 1.00 0.00 H new ATOM 1067 N THR A 75 13.576 1.093 -1.256 1.00 0.00 N ATOM 1068 CA THR A 75 13.971 -0.132 -0.573 1.00 0.00 C ATOM 1069 C THR A 75 12.837 -1.150 -0.571 1.00 0.00 C ATOM 1070 O THR A 75 11.710 -0.860 -0.169 1.00 0.00 O ATOM 1071 CB THR A 75 14.397 0.148 0.881 1.00 0.00 C ATOM 1072 OG1 THR A 75 15.365 1.202 0.913 1.00 0.00 O ATOM 1073 CG2 THR A 75 14.979 -1.102 1.525 1.00 0.00 C ATOM 0 H THR A 75 12.655 1.444 -0.993 1.00 0.00 H new ATOM 0 HA THR A 75 14.821 -0.540 -1.121 1.00 0.00 H new ATOM 0 HB THR A 75 13.513 0.449 1.444 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.218 1.757 1.707 1.00 0.00 H new ATOM 0 HG21 THR A 75 15.273 -0.880 2.551 1.00 0.00 H new ATOM 0 HG22 THR A 75 14.230 -1.894 1.525 1.00 0.00 H new ATOM 0 HG23 THR A 75 15.852 -1.429 0.961 1.00 0.00 H new ATOM 1081 N PRO A 76 13.139 -2.374 -1.030 1.00 0.00 N ATOM 1082 CA PRO A 76 12.158 -3.461 -1.090 1.00 0.00 C ATOM 1083 C PRO A 76 11.770 -3.969 0.294 1.00 0.00 C ATOM 1084 O PRO A 76 12.627 -4.372 1.081 1.00 0.00 O ATOM 1085 CB PRO A 76 12.887 -4.554 -1.876 1.00 0.00 C ATOM 1086 CG PRO A 76 14.334 -4.284 -1.647 1.00 0.00 C ATOM 1087 CD PRO A 76 14.462 -2.791 -1.525 1.00 0.00 C ATOM 0 HA PRO A 76 11.222 -3.140 -1.547 1.00 0.00 H new ATOM 0 HB2 PRO A 76 12.609 -5.547 -1.524 1.00 0.00 H new ATOM 0 HB3 PRO A 76 12.639 -4.511 -2.937 1.00 0.00 H new ATOM 0 HG2 PRO A 76 14.685 -4.781 -0.743 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.937 -4.661 -2.473 1.00 0.00 H new ATOM 0 HD2 PRO A 76 15.256 -2.511 -0.833 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.696 -2.328 -2.484 1.00 0.00 H new ATOM 1095 N MET A 77 10.473 -3.948 0.586 1.00 0.00 N ATOM 1096 CA MET A 77 9.972 -4.409 1.875 1.00 0.00 C ATOM 1097 C MET A 77 9.338 -5.790 1.751 1.00 0.00 C ATOM 1098 O MET A 77 8.647 -6.249 2.659 1.00 0.00 O ATOM 1099 CB MET A 77 8.953 -3.415 2.435 1.00 0.00 C ATOM 1100 CG MET A 77 9.400 -1.965 2.338 1.00 0.00 C ATOM 1101 SD MET A 77 10.398 -1.451 3.749 1.00 0.00 S ATOM 1102 CE MET A 77 12.047 -1.574 3.061 1.00 0.00 C ATOM 0 H MET A 77 9.750 -3.617 -0.053 1.00 0.00 H new ATOM 0 HA MET A 77 10.816 -4.478 2.561 1.00 0.00 H new ATOM 0 HB2 MET A 77 8.011 -3.533 1.899 1.00 0.00 H new ATOM 0 HB3 MET A 77 8.758 -3.657 3.480 1.00 0.00 H new ATOM 0 HG2 MET A 77 9.974 -1.826 1.422 1.00 0.00 H new ATOM 0 HG3 MET A 77 8.523 -1.322 2.265 1.00 0.00 H new ATOM 0 HE1 MET A 77 12.764 -1.747 3.863 1.00 0.00 H new ATOM 0 HE2 MET A 77 12.086 -2.403 2.355 1.00 0.00 H new ATOM 0 HE3 MET A 77 12.296 -0.647 2.545 1.00 0.00 H new ATOM 1112 N GLU A 78 9.577 -6.446 0.620 1.00 0.00 N ATOM 1113 CA GLU A 78 9.027 -7.775 0.377 1.00 0.00 C ATOM 1114 C GLU A 78 9.978 -8.857 0.880 1.00 0.00 C ATOM 1115 O GLU A 78 11.141 -8.911 0.482 1.00 0.00 O ATOM 1116 CB GLU A 78 8.755 -7.974 -1.115 1.00 0.00 C ATOM 1117 CG GLU A 78 9.955 -7.675 -1.998 1.00 0.00 C ATOM 1118 CD GLU A 78 9.806 -8.244 -3.396 1.00 0.00 C ATOM 1119 OE1 GLU A 78 10.197 -9.411 -3.607 1.00 0.00 O ATOM 1120 OE2 GLU A 78 9.299 -7.522 -4.279 1.00 0.00 O ATOM 0 H GLU A 78 10.147 -6.079 -0.142 1.00 0.00 H new ATOM 0 HA GLU A 78 8.088 -7.857 0.924 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.438 -9.003 -1.284 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.926 -7.332 -1.413 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.095 -6.596 -2.062 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.853 -8.086 -1.536 1.00 0.00 H new ATOM 1127 N ASP A 79 9.474 -9.717 1.758 1.00 0.00 N ATOM 1128 CA ASP A 79 10.276 -10.799 2.316 1.00 0.00 C ATOM 1129 C ASP A 79 11.438 -10.247 3.136 1.00 0.00 C ATOM 1130 O ASP A 79 12.573 -10.708 3.014 1.00 0.00 O ATOM 1131 CB ASP A 79 10.807 -11.698 1.199 1.00 0.00 C ATOM 1132 CG ASP A 79 10.987 -13.135 1.648 1.00 0.00 C ATOM 1133 OD1 ASP A 79 10.004 -13.733 2.131 1.00 0.00 O ATOM 1134 OD2 ASP A 79 12.113 -13.661 1.517 1.00 0.00 O ATOM 0 H ASP A 79 8.513 -9.686 2.099 1.00 0.00 H new ATOM 0 HA ASP A 79 9.638 -11.389 2.974 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.119 -11.668 0.354 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.762 -11.308 0.846 1.00 0.00 H new ATOM 1139 N VAL A 80 11.147 -9.255 3.972 1.00 0.00 N ATOM 1140 CA VAL A 80 12.167 -8.639 4.812 1.00 0.00 C ATOM 1141 C VAL A 80 11.818 -8.776 6.290 1.00 0.00 C ATOM 1142 O VAL A 80 10.716 -9.198 6.642 1.00 0.00 O ATOM 1143 CB VAL A 80 12.347 -7.147 4.475 1.00 0.00 C ATOM 1144 CG1 VAL A 80 12.659 -6.967 2.997 1.00 0.00 C ATOM 1145 CG2 VAL A 80 11.105 -6.360 4.865 1.00 0.00 C ATOM 0 H VAL A 80 10.213 -8.861 4.085 1.00 0.00 H new ATOM 0 HA VAL A 80 13.101 -9.164 4.611 1.00 0.00 H new ATOM 0 HB VAL A 80 13.190 -6.762 5.049 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.783 -5.906 2.778 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.579 -7.498 2.752 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.839 -7.367 2.401 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.249 -5.308 4.620 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.244 -6.745 4.319 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.931 -6.463 5.936 1.00 0.00 H new ATOM 1155 N LEU A 81 12.764 -8.416 7.151 1.00 0.00 N ATOM 1156 CA LEU A 81 12.557 -8.498 8.593 1.00 0.00 C ATOM 1157 C LEU A 81 11.773 -7.292 9.100 1.00 0.00 C ATOM 1158 O LEU A 81 11.861 -6.200 8.537 1.00 0.00 O ATOM 1159 CB LEU A 81 13.901 -8.588 9.317 1.00 0.00 C ATOM 1160 CG LEU A 81 14.685 -9.885 9.118 1.00 0.00 C ATOM 1161 CD1 LEU A 81 16.065 -9.777 9.748 1.00 0.00 C ATOM 1162 CD2 LEU A 81 13.921 -11.065 9.701 1.00 0.00 C ATOM 0 H LEU A 81 13.681 -8.065 6.876 1.00 0.00 H new ATOM 0 HA LEU A 81 11.978 -9.398 8.801 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.524 -7.756 8.989 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.726 -8.453 10.384 1.00 0.00 H new ATOM 0 HG LEU A 81 14.809 -10.051 8.048 1.00 0.00 H new ATOM 0 HD11 LEU A 81 16.608 -10.710 9.596 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.614 -8.958 9.284 1.00 0.00 H new ATOM 0 HD13 LEU A 81 15.963 -9.586 10.816 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.494 -11.980 9.550 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.765 -10.906 10.768 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.956 -11.155 9.203 1.00 0.00 H new ATOM 1174 N HIS A 82 11.008 -7.496 10.167 1.00 0.00 N ATOM 1175 CA HIS A 82 10.210 -6.424 10.752 1.00 0.00 C ATOM 1176 C HIS A 82 11.080 -5.211 11.071 1.00 0.00 C ATOM 1177 O HIS A 82 10.658 -4.069 10.895 1.00 0.00 O ATOM 1178 CB HIS A 82 9.512 -6.913 12.022 1.00 0.00 C ATOM 1179 CG HIS A 82 9.061 -5.805 12.923 1.00 0.00 C ATOM 1180 ND1 HIS A 82 7.810 -5.231 12.840 1.00 0.00 N ATOM 1181 CD2 HIS A 82 9.701 -5.167 13.930 1.00 0.00 C ATOM 1182 CE1 HIS A 82 7.701 -4.286 13.757 1.00 0.00 C ATOM 1183 NE2 HIS A 82 8.835 -4.227 14.432 1.00 0.00 N ATOM 0 H HIS A 82 10.923 -8.393 10.644 1.00 0.00 H new ATOM 0 HA HIS A 82 9.456 -6.127 10.023 1.00 0.00 H new ATOM 0 HB2 HIS A 82 8.649 -7.517 11.742 1.00 0.00 H new ATOM 0 HB3 HIS A 82 10.191 -7.564 12.572 1.00 0.00 H new ATOM 0 HD2 HIS A 82 10.706 -5.361 14.275 1.00 0.00 H new ATOM 0 HE1 HIS A 82 6.832 -3.667 13.926 1.00 0.00 H new ATOM 0 HE2 HIS A 82 9.035 -3.587 15.201 1.00 0.00 H new ATOM 1192 N SER A 83 12.296 -5.469 11.542 1.00 0.00 N ATOM 1193 CA SER A 83 13.223 -4.399 11.890 1.00 0.00 C ATOM 1194 C SER A 83 13.738 -3.697 10.637 1.00 0.00 C ATOM 1195 O SER A 83 14.036 -2.503 10.658 1.00 0.00 O ATOM 1196 CB SER A 83 14.399 -4.956 12.695 1.00 0.00 C ATOM 1197 OG SER A 83 14.038 -5.161 14.050 1.00 0.00 O ATOM 0 H SER A 83 12.662 -6.409 11.691 1.00 0.00 H new ATOM 0 HA SER A 83 12.687 -3.671 12.499 1.00 0.00 H new ATOM 0 HB2 SER A 83 14.730 -5.898 12.257 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.241 -4.266 12.640 1.00 0.00 H new ATOM 0 HG SER A 83 14.806 -5.519 14.543 1.00 0.00 H new ATOM 1203 N PHE A 84 13.839 -4.448 9.545 1.00 0.00 N ATOM 1204 CA PHE A 84 14.318 -3.900 8.282 1.00 0.00 C ATOM 1205 C PHE A 84 13.341 -2.864 7.733 1.00 0.00 C ATOM 1206 O PHE A 84 13.744 -1.785 7.298 1.00 0.00 O ATOM 1207 CB PHE A 84 14.519 -5.020 7.259 1.00 0.00 C ATOM 1208 CG PHE A 84 15.040 -4.537 5.936 1.00 0.00 C ATOM 1209 CD1 PHE A 84 16.389 -4.268 5.763 1.00 0.00 C ATOM 1210 CD2 PHE A 84 14.182 -4.350 4.864 1.00 0.00 C ATOM 1211 CE1 PHE A 84 16.872 -3.824 4.547 1.00 0.00 C ATOM 1212 CE2 PHE A 84 14.659 -3.907 3.645 1.00 0.00 C ATOM 1213 CZ PHE A 84 16.005 -3.642 3.487 1.00 0.00 C ATOM 0 H PHE A 84 13.595 -5.438 9.510 1.00 0.00 H new ATOM 0 HA PHE A 84 15.274 -3.410 8.467 1.00 0.00 H new ATOM 0 HB2 PHE A 84 15.213 -5.754 7.668 1.00 0.00 H new ATOM 0 HB3 PHE A 84 13.570 -5.532 7.102 1.00 0.00 H new ATOM 0 HD1 PHE A 84 17.071 -4.407 6.589 1.00 0.00 H new ATOM 0 HD2 PHE A 84 13.128 -4.553 4.983 1.00 0.00 H new ATOM 0 HE1 PHE A 84 17.925 -3.620 4.425 1.00 0.00 H new ATOM 0 HE2 PHE A 84 13.980 -3.768 2.817 1.00 0.00 H new ATOM 0 HZ PHE A 84 16.379 -3.293 2.536 1.00 0.00 H new ATOM 1223 N ALA A 85 12.056 -3.200 7.757 1.00 0.00 N ATOM 1224 CA ALA A 85 11.021 -2.300 7.264 1.00 0.00 C ATOM 1225 C ALA A 85 11.049 -0.971 8.011 1.00 0.00 C ATOM 1226 O ALA A 85 11.097 0.096 7.399 1.00 0.00 O ATOM 1227 CB ALA A 85 9.652 -2.950 7.390 1.00 0.00 C ATOM 0 H ALA A 85 11.706 -4.090 8.113 1.00 0.00 H new ATOM 0 HA ALA A 85 11.220 -2.100 6.211 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.889 -2.266 7.018 1.00 0.00 H new ATOM 0 HB2 ALA A 85 9.631 -3.870 6.806 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.454 -3.180 8.437 1.00 0.00 H new ATOM 1233 N VAL A 86 11.016 -1.042 9.338 1.00 0.00 N ATOM 1234 CA VAL A 86 11.038 0.156 10.169 1.00 0.00 C ATOM 1235 C VAL A 86 12.364 0.896 10.032 1.00 0.00 C ATOM 1236 O VAL A 86 12.396 2.125 9.979 1.00 0.00 O ATOM 1237 CB VAL A 86 10.804 -0.186 11.653 1.00 0.00 C ATOM 1238 CG1 VAL A 86 11.767 -1.271 12.109 1.00 0.00 C ATOM 1239 CG2 VAL A 86 10.944 1.060 12.514 1.00 0.00 C ATOM 0 H VAL A 86 10.974 -1.917 9.861 1.00 0.00 H new ATOM 0 HA VAL A 86 10.229 0.798 9.820 1.00 0.00 H new ATOM 0 HB VAL A 86 9.788 -0.565 11.766 1.00 0.00 H new ATOM 0 HG11 VAL A 86 11.587 -1.499 13.159 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.613 -2.169 11.511 1.00 0.00 H new ATOM 0 HG13 VAL A 86 12.792 -0.923 11.984 1.00 0.00 H new ATOM 0 HG21 VAL A 86 10.776 0.801 13.559 1.00 0.00 H new ATOM 0 HG22 VAL A 86 11.947 1.471 12.399 1.00 0.00 H new ATOM 0 HG23 VAL A 86 10.210 1.803 12.202 1.00 0.00 H new ATOM 1249 N GLN A 87 13.454 0.139 9.976 1.00 0.00 N ATOM 1250 CA GLN A 87 14.784 0.724 9.845 1.00 0.00 C ATOM 1251 C GLN A 87 14.776 1.873 8.842 1.00 0.00 C ATOM 1252 O GLN A 87 15.286 2.957 9.123 1.00 0.00 O ATOM 1253 CB GLN A 87 15.792 -0.341 9.411 1.00 0.00 C ATOM 1254 CG GLN A 87 17.233 0.144 9.423 1.00 0.00 C ATOM 1255 CD GLN A 87 18.213 -0.946 9.805 1.00 0.00 C ATOM 1256 OE1 GLN A 87 18.166 -1.479 10.915 1.00 0.00 O ATOM 1257 NE2 GLN A 87 19.110 -1.286 8.887 1.00 0.00 N ATOM 0 H GLN A 87 13.443 -0.880 10.019 1.00 0.00 H new ATOM 0 HA GLN A 87 15.079 1.117 10.818 1.00 0.00 H new ATOM 0 HB2 GLN A 87 15.702 -1.204 10.070 1.00 0.00 H new ATOM 0 HB3 GLN A 87 15.540 -0.680 8.406 1.00 0.00 H new ATOM 0 HG2 GLN A 87 17.491 0.529 8.436 1.00 0.00 H new ATOM 0 HG3 GLN A 87 17.327 0.974 10.124 1.00 0.00 H new ATOM 0 HE21 GLN A 87 19.114 -0.819 7.980 1.00 0.00 H new ATOM 0 HE22 GLN A 87 19.795 -2.014 9.089 1.00 0.00 H new ATOM 1266 N GLN A 88 14.196 1.627 7.672 1.00 0.00 N ATOM 1267 CA GLN A 88 14.124 2.641 6.627 1.00 0.00 C ATOM 1268 C GLN A 88 13.342 3.861 7.105 1.00 0.00 C ATOM 1269 O GLN A 88 13.627 4.990 6.704 1.00 0.00 O ATOM 1270 CB GLN A 88 13.472 2.064 5.370 1.00 0.00 C ATOM 1271 CG GLN A 88 14.124 0.780 4.882 1.00 0.00 C ATOM 1272 CD GLN A 88 15.456 1.024 4.200 1.00 0.00 C ATOM 1273 OE1 GLN A 88 15.579 1.905 3.349 1.00 0.00 O ATOM 1274 NE2 GLN A 88 16.464 0.243 4.572 1.00 0.00 N ATOM 0 H GLN A 88 13.769 0.734 7.424 1.00 0.00 H new ATOM 0 HA GLN A 88 15.141 2.953 6.389 1.00 0.00 H new ATOM 0 HB2 GLN A 88 12.418 1.873 5.572 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.514 2.808 4.575 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.271 0.108 5.727 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.451 0.277 4.187 1.00 0.00 H new ATOM 0 HE21 GLN A 88 16.318 -0.475 5.281 1.00 0.00 H new ATOM 0 HE22 GLN A 88 17.384 0.361 4.148 1.00 0.00 H new ATOM 1283 N LEU A 89 12.356 3.625 7.963 1.00 0.00 N ATOM 1284 CA LEU A 89 11.532 4.704 8.496 1.00 0.00 C ATOM 1285 C LEU A 89 12.306 5.526 9.522 1.00 0.00 C ATOM 1286 O LEU A 89 12.347 6.754 9.445 1.00 0.00 O ATOM 1287 CB LEU A 89 10.263 4.136 9.134 1.00 0.00 C ATOM 1288 CG LEU A 89 9.278 3.459 8.181 1.00 0.00 C ATOM 1289 CD1 LEU A 89 8.194 2.731 8.962 1.00 0.00 C ATOM 1290 CD2 LEU A 89 8.662 4.480 7.236 1.00 0.00 C ATOM 0 H LEU A 89 12.108 2.696 8.304 1.00 0.00 H new ATOM 0 HA LEU A 89 11.255 5.358 7.669 1.00 0.00 H new ATOM 0 HB2 LEU A 89 10.556 3.413 9.896 1.00 0.00 H new ATOM 0 HB3 LEU A 89 9.744 4.946 9.646 1.00 0.00 H new ATOM 0 HG LEU A 89 9.823 2.726 7.586 1.00 0.00 H new ATOM 0 HD11 LEU A 89 7.502 2.255 8.267 1.00 0.00 H new ATOM 0 HD12 LEU A 89 8.651 1.971 9.597 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.652 3.444 9.583 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.964 3.980 6.565 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.131 5.237 7.814 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.449 4.956 6.651 1.00 0.00 H new ATOM 1302 N ARG A 90 12.922 4.839 10.479 1.00 0.00 N ATOM 1303 CA ARG A 90 13.696 5.505 11.519 1.00 0.00 C ATOM 1304 C ARG A 90 14.905 6.221 10.923 1.00 0.00 C ATOM 1305 O ARG A 90 15.558 7.022 11.592 1.00 0.00 O ATOM 1306 CB ARG A 90 14.157 4.492 12.569 1.00 0.00 C ATOM 1307 CG ARG A 90 14.798 3.248 11.975 1.00 0.00 C ATOM 1308 CD ARG A 90 15.523 2.435 13.036 1.00 0.00 C ATOM 1309 NE ARG A 90 16.682 3.144 13.572 1.00 0.00 N ATOM 1310 CZ ARG A 90 17.677 2.544 14.215 1.00 0.00 C ATOM 1311 NH1 ARG A 90 17.655 1.232 14.402 1.00 0.00 N ATOM 1312 NH2 ARG A 90 18.698 3.258 14.674 1.00 0.00 N ATOM 0 H ARG A 90 12.900 3.822 10.555 1.00 0.00 H new ATOM 0 HA ARG A 90 13.055 6.246 11.996 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.870 4.974 13.238 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.301 4.195 13.176 1.00 0.00 H new ATOM 0 HG2 ARG A 90 14.032 2.632 11.503 1.00 0.00 H new ATOM 0 HG3 ARG A 90 15.500 3.537 11.193 1.00 0.00 H new ATOM 0 HD2 ARG A 90 14.834 2.202 13.848 1.00 0.00 H new ATOM 0 HD3 ARG A 90 15.845 1.486 12.608 1.00 0.00 H new ATOM 0 HE ARG A 90 16.730 4.155 13.446 1.00 0.00 H new ATOM 0 HH11 ARG A 90 16.872 0.680 14.052 1.00 0.00 H new ATOM 0 HH12 ARG A 90 18.421 0.774 14.896 1.00 0.00 H new ATOM 0 HH21 ARG A 90 18.718 4.268 14.533 1.00 0.00 H new ATOM 0 HH22 ARG A 90 19.462 2.797 15.168 1.00 0.00 H new ATOM 1326 N LYS A 91 15.197 5.926 9.661 1.00 0.00 N ATOM 1327 CA LYS A 91 16.326 6.541 8.973 1.00 0.00 C ATOM 1328 C LYS A 91 15.915 7.859 8.323 1.00 0.00 C ATOM 1329 O LYS A 91 16.670 8.831 8.336 1.00 0.00 O ATOM 1330 CB LYS A 91 16.883 5.589 7.912 1.00 0.00 C ATOM 1331 CG LYS A 91 17.693 4.442 8.490 1.00 0.00 C ATOM 1332 CD LYS A 91 17.887 3.328 7.475 1.00 0.00 C ATOM 1333 CE LYS A 91 19.176 3.510 6.687 1.00 0.00 C ATOM 1334 NZ LYS A 91 19.506 2.304 5.879 1.00 0.00 N ATOM 0 H LYS A 91 14.667 5.264 9.093 1.00 0.00 H new ATOM 0 HA LYS A 91 17.101 6.746 9.711 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.056 5.182 7.331 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.510 6.154 7.222 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.665 4.811 8.817 1.00 0.00 H new ATOM 0 HG3 LYS A 91 17.189 4.048 9.372 1.00 0.00 H new ATOM 0 HD2 LYS A 91 17.905 2.366 7.988 1.00 0.00 H new ATOM 0 HD3 LYS A 91 17.040 3.307 6.789 1.00 0.00 H new ATOM 0 HE2 LYS A 91 19.080 4.373 6.029 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.995 3.722 7.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 20.390 2.467 5.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 19.622 1.485 6.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 18.736 2.116 5.206 1.00 0.00 H new ATOM 1348 N SER A 92 14.713 7.884 7.756 1.00 0.00 N ATOM 1349 CA SER A 92 14.203 9.081 7.099 1.00 0.00 C ATOM 1350 C SER A 92 14.333 10.298 8.010 1.00 0.00 C ATOM 1351 O SER A 92 14.372 10.171 9.233 1.00 0.00 O ATOM 1352 CB SER A 92 12.739 8.885 6.698 1.00 0.00 C ATOM 1353 OG SER A 92 12.327 9.874 5.771 1.00 0.00 O ATOM 0 H SER A 92 14.074 7.089 7.739 1.00 0.00 H new ATOM 0 HA SER A 92 14.798 9.254 6.202 1.00 0.00 H new ATOM 0 HB2 SER A 92 12.608 7.895 6.261 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.107 8.928 7.585 1.00 0.00 H new ATOM 0 HG SER A 92 11.580 10.385 6.148 1.00 0.00 H new ATOM 1359 N GLY A 93 14.400 11.480 7.403 1.00 0.00 N ATOM 1360 CA GLY A 93 14.525 12.703 8.174 1.00 0.00 C ATOM 1361 C GLY A 93 13.180 13.298 8.540 1.00 0.00 C ATOM 1362 O GLY A 93 12.796 13.314 9.710 1.00 0.00 O ATOM 0 H GLY A 93 14.370 11.612 6.392 1.00 0.00 H new ATOM 0 HA2 GLY A 93 15.088 12.499 9.085 1.00 0.00 H new ATOM 0 HA3 GLY A 93 15.098 13.433 7.602 1.00 0.00 H new ATOM 1366 N LYS A 94 12.460 13.791 7.538 1.00 0.00 N ATOM 1367 CA LYS A 94 11.150 14.391 7.758 1.00 0.00 C ATOM 1368 C LYS A 94 10.132 13.860 6.753 1.00 0.00 C ATOM 1369 O LYS A 94 8.952 13.708 7.072 1.00 0.00 O ATOM 1370 CB LYS A 94 11.239 15.915 7.653 1.00 0.00 C ATOM 1371 CG LYS A 94 9.895 16.590 7.441 1.00 0.00 C ATOM 1372 CD LYS A 94 9.866 17.979 8.055 1.00 0.00 C ATOM 1373 CE LYS A 94 10.362 19.032 7.076 1.00 0.00 C ATOM 1374 NZ LYS A 94 10.227 20.409 7.627 1.00 0.00 N ATOM 0 H LYS A 94 12.763 13.787 6.564 1.00 0.00 H new ATOM 0 HA LYS A 94 10.819 14.121 8.761 1.00 0.00 H new ATOM 0 HB2 LYS A 94 11.694 16.307 8.563 1.00 0.00 H new ATOM 0 HB3 LYS A 94 11.901 16.176 6.827 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.686 16.659 6.373 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.107 15.980 7.882 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.849 18.220 8.365 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.485 17.994 8.952 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.407 18.839 6.833 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.799 18.956 6.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.576 21.098 6.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.227 20.603 7.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 10.784 20.489 8.501 1.00 0.00 H new ATOM 1388 N ILE A 95 10.596 13.579 5.541 1.00 0.00 N ATOM 1389 CA ILE A 95 9.726 13.063 4.491 1.00 0.00 C ATOM 1390 C ILE A 95 10.171 11.675 4.041 1.00 0.00 C ATOM 1391 O ILE A 95 11.359 11.430 3.836 1.00 0.00 O ATOM 1392 CB ILE A 95 9.699 14.001 3.270 1.00 0.00 C ATOM 1393 CG1 ILE A 95 9.277 15.410 3.693 1.00 0.00 C ATOM 1394 CG2 ILE A 95 8.758 13.458 2.205 1.00 0.00 C ATOM 1395 CD1 ILE A 95 8.091 15.430 4.632 1.00 0.00 C ATOM 0 H ILE A 95 11.569 13.700 5.261 1.00 0.00 H new ATOM 0 HA ILE A 95 8.723 13.002 4.914 1.00 0.00 H new ATOM 0 HB ILE A 95 10.702 14.053 2.847 1.00 0.00 H new ATOM 0 HG12 ILE A 95 10.121 15.903 4.176 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.035 15.991 2.803 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.750 14.132 1.349 1.00 0.00 H new ATOM 0 HG22 ILE A 95 9.098 12.472 1.888 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.751 13.380 2.615 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.848 16.461 4.889 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.233 14.966 4.145 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.336 14.878 5.539 1.00 0.00 H new ATOM 1407 N ALA A 96 9.209 10.771 3.889 1.00 0.00 N ATOM 1408 CA ALA A 96 9.501 9.410 3.459 1.00 0.00 C ATOM 1409 C ALA A 96 8.510 8.944 2.398 1.00 0.00 C ATOM 1410 O ALA A 96 7.308 9.183 2.511 1.00 0.00 O ATOM 1411 CB ALA A 96 9.482 8.465 4.652 1.00 0.00 C ATOM 0 H ALA A 96 8.220 10.957 4.057 1.00 0.00 H new ATOM 0 HA ALA A 96 10.497 9.401 3.017 1.00 0.00 H new ATOM 0 HB1 ALA A 96 9.702 7.451 4.317 1.00 0.00 H new ATOM 0 HB2 ALA A 96 10.234 8.779 5.376 1.00 0.00 H new ATOM 0 HB3 ALA A 96 8.497 8.487 5.118 1.00 0.00 H new ATOM 1417 N ALA A 97 9.022 8.280 1.367 1.00 0.00 N ATOM 1418 CA ALA A 97 8.182 7.781 0.286 1.00 0.00 C ATOM 1419 C ALA A 97 7.937 6.282 0.428 1.00 0.00 C ATOM 1420 O ALA A 97 8.879 5.490 0.451 1.00 0.00 O ATOM 1421 CB ALA A 97 8.817 8.088 -1.062 1.00 0.00 C ATOM 0 H ALA A 97 10.015 8.075 1.258 1.00 0.00 H new ATOM 0 HA ALA A 97 7.219 8.288 0.345 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.178 7.709 -1.860 1.00 0.00 H new ATOM 0 HB2 ALA A 97 8.934 9.166 -1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 97 9.794 7.609 -1.121 1.00 0.00 H new ATOM 1427 N ILE A 98 6.668 5.901 0.524 1.00 0.00 N ATOM 1428 CA ILE A 98 6.301 4.498 0.663 1.00 0.00 C ATOM 1429 C ILE A 98 5.280 4.089 -0.393 1.00 0.00 C ATOM 1430 O ILE A 98 4.188 4.654 -0.468 1.00 0.00 O ATOM 1431 CB ILE A 98 5.724 4.203 2.061 1.00 0.00 C ATOM 1432 CG1 ILE A 98 6.675 4.710 3.147 1.00 0.00 C ATOM 1433 CG2 ILE A 98 5.470 2.712 2.225 1.00 0.00 C ATOM 1434 CD1 ILE A 98 5.996 4.963 4.474 1.00 0.00 C ATOM 0 H ILE A 98 5.877 6.545 0.508 1.00 0.00 H new ATOM 0 HA ILE A 98 7.214 3.918 0.526 1.00 0.00 H new ATOM 0 HB ILE A 98 4.774 4.727 2.164 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.473 3.981 3.289 1.00 0.00 H new ATOM 0 HG13 ILE A 98 7.144 5.633 2.806 1.00 0.00 H new ATOM 0 HG21 ILE A 98 5.063 2.519 3.217 1.00 0.00 H new ATOM 0 HG22 ILE A 98 4.758 2.379 1.470 1.00 0.00 H new ATOM 0 HG23 ILE A 98 6.407 2.168 2.106 1.00 0.00 H new ATOM 0 HD11 ILE A 98 6.730 5.320 5.196 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.217 5.714 4.347 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.551 4.037 4.837 1.00 0.00 H new ATOM 1446 N VAL A 99 5.641 3.102 -1.206 1.00 0.00 N ATOM 1447 CA VAL A 99 4.755 2.614 -2.257 1.00 0.00 C ATOM 1448 C VAL A 99 3.948 1.411 -1.781 1.00 0.00 C ATOM 1449 O VAL A 99 4.462 0.294 -1.713 1.00 0.00 O ATOM 1450 CB VAL A 99 5.545 2.222 -3.520 1.00 0.00 C ATOM 1451 CG1 VAL A 99 4.598 1.790 -4.629 1.00 0.00 C ATOM 1452 CG2 VAL A 99 6.423 3.377 -3.978 1.00 0.00 C ATOM 0 H VAL A 99 6.541 2.624 -1.157 1.00 0.00 H new ATOM 0 HA VAL A 99 4.075 3.430 -2.502 1.00 0.00 H new ATOM 0 HB VAL A 99 6.191 1.378 -3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.174 1.517 -5.513 1.00 0.00 H new ATOM 0 HG12 VAL A 99 4.015 0.931 -4.296 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.925 2.612 -4.874 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.974 3.083 -4.871 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.798 4.241 -4.205 1.00 0.00 H new ATOM 0 HG23 VAL A 99 7.126 3.636 -3.186 1.00 0.00 H new ATOM 1462 N VAL A 100 2.682 1.646 -1.454 1.00 0.00 N ATOM 1463 CA VAL A 100 1.803 0.581 -0.986 1.00 0.00 C ATOM 1464 C VAL A 100 0.782 0.203 -2.053 1.00 0.00 C ATOM 1465 O VAL A 100 0.672 0.864 -3.086 1.00 0.00 O ATOM 1466 CB VAL A 100 1.058 0.992 0.298 1.00 0.00 C ATOM 1467 CG1 VAL A 100 2.046 1.294 1.415 1.00 0.00 C ATOM 1468 CG2 VAL A 100 0.158 2.189 0.033 1.00 0.00 C ATOM 0 H VAL A 100 2.242 2.565 -1.504 1.00 0.00 H new ATOM 0 HA VAL A 100 2.436 -0.280 -0.771 1.00 0.00 H new ATOM 0 HB VAL A 100 0.431 0.159 0.615 1.00 0.00 H new ATOM 0 HG11 VAL A 100 1.502 1.583 2.314 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.644 0.406 1.622 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.702 2.110 1.110 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.360 2.465 0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.762 3.029 -0.310 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -0.574 1.932 -0.733 1.00 0.00 H new ATOM 1478 N LYS A 101 0.034 -0.865 -1.797 1.00 0.00 N ATOM 1479 CA LYS A 101 -0.980 -1.333 -2.733 1.00 0.00 C ATOM 1480 C LYS A 101 -2.228 -1.804 -1.994 1.00 0.00 C ATOM 1481 O LYS A 101 -2.159 -2.691 -1.143 1.00 0.00 O ATOM 1482 CB LYS A 101 -0.425 -2.470 -3.594 1.00 0.00 C ATOM 1483 CG LYS A 101 0.188 -3.601 -2.786 1.00 0.00 C ATOM 1484 CD LYS A 101 0.993 -4.542 -3.666 1.00 0.00 C ATOM 1485 CE LYS A 101 1.243 -5.873 -2.974 1.00 0.00 C ATOM 1486 NZ LYS A 101 2.166 -6.741 -3.758 1.00 0.00 N ATOM 0 H LYS A 101 0.112 -1.423 -0.947 1.00 0.00 H new ATOM 0 HA LYS A 101 -1.254 -0.498 -3.378 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.228 -2.871 -4.213 1.00 0.00 H new ATOM 0 HB3 LYS A 101 0.329 -2.068 -4.270 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.832 -3.187 -2.010 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.601 -4.159 -2.282 1.00 0.00 H new ATOM 0 HD2 LYS A 101 0.461 -4.711 -4.602 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.946 -4.078 -3.921 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.665 -5.695 -1.985 1.00 0.00 H new ATOM 0 HE3 LYS A 101 0.295 -6.390 -2.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.311 -7.639 -3.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.752 -6.932 -4.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.080 -6.259 -3.876 1.00 0.00 H new ATOM 1500 N ARG A 102 -3.368 -1.206 -2.324 1.00 0.00 N ATOM 1501 CA ARG A 102 -4.631 -1.565 -1.691 1.00 0.00 C ATOM 1502 C ARG A 102 -5.458 -2.469 -2.601 1.00 0.00 C ATOM 1503 O ARG A 102 -5.538 -2.265 -3.813 1.00 0.00 O ATOM 1504 CB ARG A 102 -5.428 -0.306 -1.344 1.00 0.00 C ATOM 1505 CG ARG A 102 -5.211 0.179 0.080 1.00 0.00 C ATOM 1506 CD ARG A 102 -4.062 1.172 0.161 1.00 0.00 C ATOM 1507 NE ARG A 102 -4.476 2.519 -0.225 1.00 0.00 N ATOM 1508 CZ ARG A 102 -5.368 3.235 0.450 1.00 0.00 C ATOM 1509 NH1 ARG A 102 -5.937 2.737 1.539 1.00 0.00 N ATOM 1510 NH2 ARG A 102 -5.692 4.454 0.036 1.00 0.00 N ATOM 0 H ARG A 102 -3.443 -0.470 -3.027 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.407 -2.109 -0.774 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -5.153 0.490 -2.036 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -6.489 -0.505 -1.493 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -6.124 0.646 0.450 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -5.004 -0.673 0.728 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.670 1.190 1.178 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -3.251 0.842 -0.488 1.00 0.00 H new ATOM 0 HE ARG A 102 -4.057 2.932 -1.058 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -5.690 1.801 1.861 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -6.622 3.290 2.055 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -5.256 4.841 -0.801 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -6.377 5.003 0.555 1.00 0.00 H new ATOM 1524 N PRO A 103 -6.088 -3.492 -2.005 1.00 0.00 N ATOM 1525 CA PRO A 103 -6.919 -4.448 -2.743 1.00 0.00 C ATOM 1526 C PRO A 103 -8.213 -3.819 -3.250 1.00 0.00 C ATOM 1527 O PRO A 103 -9.085 -3.451 -2.464 1.00 0.00 O ATOM 1528 CB PRO A 103 -7.222 -5.531 -1.705 1.00 0.00 C ATOM 1529 CG PRO A 103 -7.106 -4.838 -0.391 1.00 0.00 C ATOM 1530 CD PRO A 103 -6.037 -3.796 -0.565 1.00 0.00 C ATOM 0 HA PRO A 103 -6.416 -4.822 -3.634 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -8.219 -5.947 -1.847 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -6.517 -6.359 -1.780 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -8.054 -4.381 -0.106 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -6.841 -5.541 0.399 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -6.236 -2.911 0.040 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -5.058 -4.171 -0.268 1.00 0.00 H new ATOM 1538 N ARG A 104 -8.330 -3.701 -4.569 1.00 0.00 N ATOM 1539 CA ARG A 104 -9.518 -3.116 -5.180 1.00 0.00 C ATOM 1540 C ARG A 104 -10.428 -4.202 -5.746 1.00 0.00 C ATOM 1541 O ARG A 104 -10.440 -4.452 -6.952 1.00 0.00 O ATOM 1542 CB ARG A 104 -9.118 -2.141 -6.290 1.00 0.00 C ATOM 1543 CG ARG A 104 -10.112 -1.009 -6.492 1.00 0.00 C ATOM 1544 CD ARG A 104 -10.110 -0.517 -7.931 1.00 0.00 C ATOM 1545 NE ARG A 104 -11.106 0.528 -8.153 1.00 0.00 N ATOM 1546 CZ ARG A 104 -11.228 1.196 -9.295 1.00 0.00 C ATOM 1547 NH1 ARG A 104 -10.422 0.928 -10.313 1.00 0.00 N ATOM 1548 NH2 ARG A 104 -12.159 2.133 -9.421 1.00 0.00 N ATOM 0 H ARG A 104 -7.618 -4.002 -5.234 1.00 0.00 H new ATOM 0 HA ARG A 104 -10.064 -2.574 -4.408 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -8.141 -1.718 -6.056 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -9.012 -2.691 -7.225 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -11.112 -1.349 -6.224 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -9.866 -0.184 -5.824 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -9.121 -0.134 -8.182 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -10.307 -1.354 -8.601 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.743 0.757 -7.390 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -9.706 0.207 -10.221 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -10.518 1.442 -11.189 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -12.782 2.341 -8.641 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -12.252 2.645 -10.298 1.00 0.00 H new ATOM 1562 N LYS A 105 -11.191 -4.844 -4.868 1.00 0.00 N ATOM 1563 CA LYS A 105 -12.106 -5.903 -5.278 1.00 0.00 C ATOM 1564 C LYS A 105 -12.904 -5.485 -6.509 1.00 0.00 C ATOM 1565 O LYS A 105 -13.323 -4.334 -6.628 1.00 0.00 O ATOM 1566 CB LYS A 105 -13.059 -6.253 -4.134 1.00 0.00 C ATOM 1567 CG LYS A 105 -12.534 -7.345 -3.218 1.00 0.00 C ATOM 1568 CD LYS A 105 -13.243 -7.335 -1.874 1.00 0.00 C ATOM 1569 CE LYS A 105 -12.848 -8.534 -1.026 1.00 0.00 C ATOM 1570 NZ LYS A 105 -13.885 -8.858 -0.006 1.00 0.00 N ATOM 0 H LYS A 105 -11.194 -4.649 -3.867 1.00 0.00 H new ATOM 0 HA LYS A 105 -11.514 -6.783 -5.531 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.250 -5.356 -3.544 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -14.015 -6.569 -4.552 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -12.669 -8.316 -3.694 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.463 -7.210 -3.066 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -13.001 -6.416 -1.341 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.322 -7.338 -2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.690 -9.399 -1.671 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -11.900 -8.330 -0.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -13.579 -9.681 0.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.018 -8.042 0.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.783 -9.077 -0.482 1.00 0.00 H new ATOM 1584 N VAL A 106 -13.112 -6.429 -7.422 1.00 0.00 N ATOM 1585 CA VAL A 106 -13.863 -6.159 -8.642 1.00 0.00 C ATOM 1586 C VAL A 106 -15.230 -5.562 -8.326 1.00 0.00 C ATOM 1587 O VAL A 106 -15.747 -5.723 -7.222 1.00 0.00 O ATOM 1588 CB VAL A 106 -14.055 -7.439 -9.478 1.00 0.00 C ATOM 1589 CG1 VAL A 106 -14.846 -7.138 -10.742 1.00 0.00 C ATOM 1590 CG2 VAL A 106 -12.708 -8.060 -9.816 1.00 0.00 C ATOM 0 H VAL A 106 -12.771 -7.387 -7.340 1.00 0.00 H new ATOM 0 HA VAL A 106 -13.281 -5.441 -9.219 1.00 0.00 H new ATOM 0 HB VAL A 106 -14.623 -8.158 -8.887 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -14.971 -8.054 -11.319 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -15.825 -6.742 -10.473 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -14.309 -6.402 -11.341 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -12.862 -8.963 -10.407 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -12.113 -7.349 -10.389 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -12.183 -8.314 -8.895 1.00 0.00 H new ATOM 1600 N GLN A 107 -15.809 -4.873 -9.304 1.00 0.00 N ATOM 1601 CA GLN A 107 -17.116 -4.251 -9.130 1.00 0.00 C ATOM 1602 C GLN A 107 -18.111 -4.780 -10.157 1.00 0.00 C ATOM 1603 O GLN A 107 -17.799 -4.881 -11.344 1.00 0.00 O ATOM 1604 CB GLN A 107 -17.001 -2.730 -9.248 1.00 0.00 C ATOM 1605 CG GLN A 107 -17.962 -1.975 -8.345 1.00 0.00 C ATOM 1606 CD GLN A 107 -19.301 -1.714 -9.006 1.00 0.00 C ATOM 1607 OE1 GLN A 107 -19.378 -1.034 -10.030 1.00 0.00 O ATOM 1608 NE2 GLN A 107 -20.365 -2.253 -8.423 1.00 0.00 N ATOM 0 H GLN A 107 -15.394 -4.732 -10.225 1.00 0.00 H new ATOM 0 HA GLN A 107 -17.481 -4.503 -8.134 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -15.980 -2.432 -9.009 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -17.184 -2.439 -10.283 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -18.118 -2.545 -7.429 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -17.513 -1.025 -8.056 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -20.255 -2.810 -7.575 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -21.293 -2.111 -8.823 1.00 0.00 H new ATOM 1617 N VAL A 108 -19.311 -5.115 -9.694 1.00 0.00 N ATOM 1618 CA VAL A 108 -20.353 -5.633 -10.573 1.00 0.00 C ATOM 1619 C VAL A 108 -21.335 -4.535 -10.966 1.00 0.00 C ATOM 1620 O VAL A 108 -21.719 -3.706 -10.141 1.00 0.00 O ATOM 1621 CB VAL A 108 -21.128 -6.785 -9.906 1.00 0.00 C ATOM 1622 CG1 VAL A 108 -20.203 -7.960 -9.628 1.00 0.00 C ATOM 1623 CG2 VAL A 108 -21.796 -6.307 -8.626 1.00 0.00 C ATOM 0 H VAL A 108 -19.586 -5.037 -8.715 1.00 0.00 H new ATOM 0 HA VAL A 108 -19.856 -6.009 -11.467 1.00 0.00 H new ATOM 0 HB VAL A 108 -21.907 -7.121 -10.591 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -20.768 -8.764 -9.157 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -19.777 -8.317 -10.565 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -19.401 -7.642 -8.962 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -22.339 -7.134 -8.168 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -21.037 -5.944 -7.933 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -22.492 -5.500 -8.858 1.00 0.00 H new ATOM 1633 N ALA A 109 -21.739 -4.536 -12.232 1.00 0.00 N ATOM 1634 CA ALA A 109 -22.678 -3.542 -12.735 1.00 0.00 C ATOM 1635 C ALA A 109 -23.462 -4.080 -13.927 1.00 0.00 C ATOM 1636 O ALA A 109 -22.911 -4.714 -14.828 1.00 0.00 O ATOM 1637 CB ALA A 109 -21.942 -2.266 -13.118 1.00 0.00 C ATOM 0 H ALA A 109 -21.430 -5.215 -12.928 1.00 0.00 H new ATOM 0 HA ALA A 109 -23.388 -3.315 -11.940 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -22.656 -1.532 -13.492 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -21.433 -1.863 -12.243 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -21.209 -2.488 -13.894 1.00 0.00 H new ATOM 1643 N PRO A 110 -24.779 -3.825 -13.935 1.00 0.00 N ATOM 1644 CA PRO A 110 -25.666 -4.276 -15.011 1.00 0.00 C ATOM 1645 C PRO A 110 -25.415 -3.534 -16.319 1.00 0.00 C ATOM 1646 O PRO A 110 -25.116 -2.339 -16.319 1.00 0.00 O ATOM 1647 CB PRO A 110 -27.064 -3.957 -14.475 1.00 0.00 C ATOM 1648 CG PRO A 110 -26.854 -2.842 -13.510 1.00 0.00 C ATOM 1649 CD PRO A 110 -25.502 -3.076 -12.894 1.00 0.00 C ATOM 0 HA PRO A 110 -25.515 -5.329 -15.249 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -27.739 -3.663 -15.279 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -27.508 -4.824 -13.987 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -26.891 -1.877 -14.015 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -27.634 -2.833 -12.748 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -25.002 -2.138 -12.653 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -25.576 -3.645 -11.967 1.00 0.00 H new ATOM 1657 N LEU A 111 -25.540 -4.248 -17.432 1.00 0.00 N ATOM 1658 CA LEU A 111 -25.327 -3.657 -18.749 1.00 0.00 C ATOM 1659 C LEU A 111 -26.578 -2.925 -19.226 1.00 0.00 C ATOM 1660 O LEU A 111 -27.657 -3.512 -19.313 1.00 0.00 O ATOM 1661 CB LEU A 111 -24.938 -4.738 -19.758 1.00 0.00 C ATOM 1662 CG LEU A 111 -23.520 -5.296 -19.632 1.00 0.00 C ATOM 1663 CD1 LEU A 111 -23.331 -6.487 -20.558 1.00 0.00 C ATOM 1664 CD2 LEU A 111 -22.493 -4.215 -19.933 1.00 0.00 C ATOM 0 H LEU A 111 -25.788 -5.237 -17.449 1.00 0.00 H new ATOM 0 HA LEU A 111 -24.514 -2.935 -18.669 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -25.642 -5.565 -19.664 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -25.058 -4.330 -20.762 1.00 0.00 H new ATOM 0 HG LEU A 111 -23.372 -5.633 -18.606 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -22.316 -6.871 -20.455 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -24.043 -7.269 -20.295 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -23.498 -6.176 -21.589 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -21.490 -4.630 -19.838 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -22.639 -3.847 -20.948 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -22.613 -3.392 -19.228 1.00 0.00 H new ATOM 1676 N SER A 112 -26.425 -1.642 -19.535 1.00 0.00 N ATOM 1677 CA SER A 112 -27.542 -0.830 -20.002 1.00 0.00 C ATOM 1678 C SER A 112 -27.057 0.275 -20.937 1.00 0.00 C ATOM 1679 O SER A 112 -26.004 0.871 -20.718 1.00 0.00 O ATOM 1680 CB SER A 112 -28.287 -0.218 -18.814 1.00 0.00 C ATOM 1681 OG SER A 112 -29.283 0.691 -19.250 1.00 0.00 O ATOM 0 H SER A 112 -25.538 -1.142 -19.470 1.00 0.00 H new ATOM 0 HA SER A 112 -28.223 -1.477 -20.555 1.00 0.00 H new ATOM 0 HB2 SER A 112 -28.747 -1.010 -18.222 1.00 0.00 H new ATOM 0 HB3 SER A 112 -27.580 0.297 -18.163 1.00 0.00 H new ATOM 0 HG SER A 112 -29.746 1.067 -18.472 1.00 0.00 H new ATOM 1687 N GLY A 113 -27.836 0.542 -21.981 1.00 0.00 N ATOM 1688 CA GLY A 113 -27.471 1.574 -22.934 1.00 0.00 C ATOM 1689 C GLY A 113 -27.288 2.929 -22.280 1.00 0.00 C ATOM 1690 O GLY A 113 -28.204 3.472 -21.661 1.00 0.00 O ATOM 0 H GLY A 113 -28.713 0.062 -22.184 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -26.547 1.289 -23.437 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -28.242 1.645 -23.701 1.00 0.00 H new ATOM 1694 N PRO A 114 -26.080 3.496 -22.411 1.00 0.00 N ATOM 1695 CA PRO A 114 -25.751 4.803 -21.834 1.00 0.00 C ATOM 1696 C PRO A 114 -26.473 5.946 -22.539 1.00 0.00 C ATOM 1697 O PRO A 114 -26.600 5.951 -23.763 1.00 0.00 O ATOM 1698 CB PRO A 114 -24.239 4.914 -22.045 1.00 0.00 C ATOM 1699 CG PRO A 114 -23.955 4.037 -23.215 1.00 0.00 C ATOM 1700 CD PRO A 114 -24.941 2.905 -23.135 1.00 0.00 C ATOM 0 HA PRO A 114 -26.056 4.876 -20.790 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -23.941 5.944 -22.241 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -23.691 4.586 -21.162 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -24.067 4.586 -24.150 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -22.931 3.665 -23.184 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -25.232 2.555 -24.125 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -24.527 2.048 -22.603 1.00 0.00 H new ATOM 1708 N SER A 115 -26.943 6.914 -21.758 1.00 0.00 N ATOM 1709 CA SER A 115 -27.656 8.061 -22.308 1.00 0.00 C ATOM 1710 C SER A 115 -26.728 9.266 -22.436 1.00 0.00 C ATOM 1711 O SER A 115 -25.794 9.430 -21.651 1.00 0.00 O ATOM 1712 CB SER A 115 -28.853 8.416 -21.425 1.00 0.00 C ATOM 1713 OG SER A 115 -28.454 8.609 -20.079 1.00 0.00 O ATOM 0 H SER A 115 -26.843 6.927 -20.743 1.00 0.00 H new ATOM 0 HA SER A 115 -28.015 7.793 -23.302 1.00 0.00 H new ATOM 0 HB2 SER A 115 -29.330 9.322 -21.800 1.00 0.00 H new ATOM 0 HB3 SER A 115 -29.596 7.620 -21.477 1.00 0.00 H new ATOM 0 HG SER A 115 -29.237 8.837 -19.535 1.00 0.00 H new ATOM 1719 N SER A 116 -26.993 10.106 -23.431 1.00 0.00 N ATOM 1720 CA SER A 116 -26.181 11.294 -23.665 1.00 0.00 C ATOM 1721 C SER A 116 -26.153 12.186 -22.427 1.00 0.00 C ATOM 1722 O SER A 116 -26.998 12.064 -21.541 1.00 0.00 O ATOM 1723 CB SER A 116 -26.722 12.080 -24.861 1.00 0.00 C ATOM 1724 OG SER A 116 -28.029 12.565 -24.604 1.00 0.00 O ATOM 0 H SER A 116 -27.764 9.986 -24.088 1.00 0.00 H new ATOM 0 HA SER A 116 -25.163 10.971 -23.882 1.00 0.00 H new ATOM 0 HB2 SER A 116 -26.058 12.915 -25.082 1.00 0.00 H new ATOM 0 HB3 SER A 116 -26.735 11.441 -25.744 1.00 0.00 H new ATOM 0 HG SER A 116 -28.351 13.065 -25.383 1.00 0.00 H new ATOM 1730 N GLY A 117 -25.173 13.083 -22.373 1.00 0.00 N ATOM 1731 CA GLY A 117 -25.052 13.982 -21.241 1.00 0.00 C ATOM 1732 C GLY A 117 -23.619 14.131 -20.769 1.00 0.00 C ATOM 1733 O GLY A 117 -23.328 13.966 -19.584 1.00 0.00 O ATOM 0 H GLY A 117 -24.461 13.203 -23.093 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -25.445 14.961 -21.515 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -25.665 13.611 -20.420 1.00 0.00 H new TER 1737 GLY A 117