USER MOD reduce.3.24.130724 H: found=0, std=0, add=327, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 327 hydrogens (2 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc=-0.00104 X(o=-0.001,f=-0.48) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -1.66 K(o=-1.7,f=-4.5!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 ASN : amide:sc= -0.418 K(o=-0.42,f=-2.5!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -0.715 13.111 -22.674 1.00 0.00 N ATOM 2 CA PRO A 1 -0.572 13.726 -21.336 1.00 0.00 C ATOM 3 C PRO A 1 -1.034 12.780 -20.231 1.00 0.00 C ATOM 4 O PRO A 1 -0.234 12.327 -19.413 1.00 0.00 O ATOM 5 CB PRO A 1 -1.411 14.999 -21.339 1.00 0.00 C ATOM 6 CG PRO A 1 -2.275 14.871 -22.552 1.00 0.00 C ATOM 7 CD PRO A 1 -1.529 13.991 -23.531 1.00 0.00 C ATOM 0 H2 PRO A 1 -1.155 12.194 -22.594 1.00 0.00 H new ATOM 0 H3 PRO A 1 0.203 12.965 -23.093 1.00 0.00 H new ATOM 0 HA PRO A 1 0.476 13.947 -21.135 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -2.009 15.083 -20.432 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -0.783 15.889 -21.390 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -3.239 14.432 -22.295 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -2.476 15.850 -22.988 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -2.215 13.417 -24.154 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -0.906 14.581 -24.203 1.00 0.00 H new ATOM 15 N ASP A 2 -2.330 12.488 -20.215 1.00 0.00 N ATOM 16 CA ASP A 2 -2.900 11.596 -19.212 1.00 0.00 C ATOM 17 C ASP A 2 -4.139 10.892 -19.753 1.00 0.00 C ATOM 18 O ASP A 2 -5.249 11.418 -19.674 1.00 0.00 O ATOM 19 CB ASP A 2 -3.255 12.378 -17.946 1.00 0.00 C ATOM 20 CG ASP A 2 -4.081 13.614 -18.242 1.00 0.00 C ATOM 21 OD1 ASP A 2 -3.549 14.543 -18.886 1.00 0.00 O ATOM 22 OD2 ASP A 2 -5.261 13.653 -17.831 1.00 0.00 O ATOM 0 H ASP A 2 -3.005 12.856 -20.885 1.00 0.00 H new ATOM 0 HA ASP A 2 -2.153 10.841 -18.966 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -3.807 11.730 -17.265 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -2.338 12.671 -17.434 1.00 0.00 H new ATOM 27 N LYS A 3 -3.943 9.698 -20.304 1.00 0.00 N ATOM 28 CA LYS A 3 -5.038 8.920 -20.857 1.00 0.00 C ATOM 29 C LYS A 3 -4.821 7.429 -20.618 1.00 0.00 C ATOM 30 O LYS A 3 -5.047 6.608 -21.508 1.00 0.00 O ATOM 31 CB LYS A 3 -5.185 9.196 -22.355 1.00 0.00 C ATOM 32 CG LYS A 3 -5.584 10.627 -22.678 1.00 0.00 C ATOM 33 CD LYS A 3 -5.226 10.995 -24.108 1.00 0.00 C ATOM 34 CE LYS A 3 -5.105 12.500 -24.284 1.00 0.00 C ATOM 35 NZ LYS A 3 -6.402 13.122 -24.668 1.00 0.00 N ATOM 0 H LYS A 3 -3.030 9.249 -20.378 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.955 9.220 -20.351 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -4.241 8.971 -22.851 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.932 8.518 -22.768 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -6.657 10.750 -22.527 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.085 11.309 -21.990 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -4.285 10.519 -24.382 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.988 10.609 -24.785 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -4.750 12.946 -23.355 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.358 12.717 -25.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.276 14.148 -24.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -6.729 12.715 -25.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.108 12.938 -23.927 1.00 0.00 H new ATOM 49 N ASP A 4 -4.380 7.086 -19.413 1.00 0.00 N ATOM 50 CA ASP A 4 -4.132 5.694 -19.056 1.00 0.00 C ATOM 51 C ASP A 4 -3.709 5.573 -17.596 1.00 0.00 C ATOM 52 O ASP A 4 -2.555 5.269 -17.295 1.00 0.00 O ATOM 53 CB ASP A 4 -3.054 5.098 -19.965 1.00 0.00 C ATOM 54 CG ASP A 4 -3.125 3.585 -20.030 1.00 0.00 C ATOM 55 OD1 ASP A 4 -3.694 2.976 -19.100 1.00 0.00 O ATOM 56 OD2 ASP A 4 -2.612 3.008 -21.011 1.00 0.00 O ATOM 0 H ASP A 4 -4.187 7.753 -18.666 1.00 0.00 H new ATOM 0 HA ASP A 4 -5.060 5.138 -19.192 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -3.162 5.508 -20.969 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -2.071 5.398 -19.603 1.00 0.00 H new ATOM 61 N PHE A 5 -4.652 5.815 -16.690 1.00 0.00 N ATOM 62 CA PHE A 5 -4.378 5.734 -15.260 1.00 0.00 C ATOM 63 C PHE A 5 -3.330 6.764 -14.850 1.00 0.00 C ATOM 64 O PHE A 5 -2.133 6.478 -14.844 1.00 0.00 O ATOM 65 CB PHE A 5 -3.904 4.326 -14.888 1.00 0.00 C ATOM 66 CG PHE A 5 -4.808 3.630 -13.910 1.00 0.00 C ATOM 67 CD1 PHE A 5 -6.102 3.287 -14.266 1.00 0.00 C ATOM 68 CD2 PHE A 5 -4.360 3.317 -12.636 1.00 0.00 C ATOM 69 CE1 PHE A 5 -6.935 2.646 -13.368 1.00 0.00 C ATOM 70 CE2 PHE A 5 -5.189 2.675 -11.735 1.00 0.00 C ATOM 71 CZ PHE A 5 -6.477 2.339 -12.101 1.00 0.00 C ATOM 0 H PHE A 5 -5.612 6.069 -16.921 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.302 5.950 -14.724 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.830 3.725 -15.794 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.902 4.388 -14.464 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -6.464 3.523 -15.256 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -3.353 3.577 -12.344 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -7.943 2.385 -13.656 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.829 2.436 -10.745 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.126 1.837 -11.398 1.00 0.00 H new ATOM 81 N ILE A 6 -3.789 7.963 -14.508 1.00 0.00 N ATOM 82 CA ILE A 6 -2.894 9.038 -14.098 1.00 0.00 C ATOM 83 C ILE A 6 -3.528 9.890 -13.003 1.00 0.00 C ATOM 84 O ILE A 6 -4.059 10.968 -13.270 1.00 0.00 O ATOM 85 CB ILE A 6 -2.518 9.943 -15.287 1.00 0.00 C ATOM 86 CG1 ILE A 6 -2.026 9.100 -16.464 1.00 0.00 C ATOM 87 CG2 ILE A 6 -1.461 10.956 -14.871 1.00 0.00 C ATOM 88 CD1 ILE A 6 -0.717 8.390 -16.195 1.00 0.00 C ATOM 0 H ILE A 6 -4.777 8.215 -14.507 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.989 8.568 -13.712 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.407 10.488 -15.604 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.787 8.360 -16.713 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.909 9.743 -17.336 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.207 11.587 -15.723 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.849 11.576 -14.063 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.569 10.431 -14.529 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.430 7.812 -17.073 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.057 9.125 -15.975 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -0.834 7.721 -15.342 1.00 0.00 H new ATOM 100 N VAL A 7 -3.466 9.401 -11.770 1.00 0.00 N ATOM 101 CA VAL A 7 -4.029 10.115 -10.635 1.00 0.00 C ATOM 102 C VAL A 7 -5.528 10.337 -10.820 1.00 0.00 C ATOM 103 O VAL A 7 -5.951 11.315 -11.436 1.00 0.00 O ATOM 104 CB VAL A 7 -3.322 11.470 -10.439 1.00 0.00 C ATOM 105 CG1 VAL A 7 -4.051 12.330 -9.415 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.874 11.256 -10.026 1.00 0.00 C ATOM 0 H VAL A 7 -3.030 8.510 -11.532 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.873 9.503 -9.747 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.339 12.001 -11.391 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.528 13.279 -9.299 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.070 12.516 -9.755 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -4.078 11.811 -8.457 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.387 12.222 -9.891 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.841 10.699 -9.089 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.354 10.693 -10.801 1.00 0.00 H new ATOM 116 N ASN A 8 -6.322 9.418 -10.281 1.00 0.00 N ATOM 117 CA ASN A 8 -7.776 9.504 -10.381 1.00 0.00 C ATOM 118 C ASN A 8 -8.231 9.392 -11.836 1.00 0.00 C ATOM 119 O ASN A 8 -8.487 10.401 -12.493 1.00 0.00 O ATOM 120 CB ASN A 8 -8.276 10.817 -9.777 1.00 0.00 C ATOM 121 CG ASN A 8 -8.643 10.677 -8.312 1.00 0.00 C ATOM 122 OD1 ASN A 8 -9.584 9.965 -7.962 1.00 0.00 O ATOM 123 ND2 ASN A 8 -7.899 11.357 -7.447 1.00 0.00 N ATOM 0 H ASN A 8 -5.983 8.603 -9.769 1.00 0.00 H new ATOM 0 HA ASN A 8 -8.202 8.671 -9.821 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.505 11.580 -9.884 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.146 11.162 -10.335 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -8.098 11.301 -6.448 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.128 11.935 -7.781 1.00 0.00 H new ATOM 130 N PRO A 9 -8.338 8.158 -12.357 1.00 0.00 N ATOM 131 CA PRO A 9 -8.766 7.918 -13.737 1.00 0.00 C ATOM 132 C PRO A 9 -10.257 8.168 -13.934 1.00 0.00 C ATOM 133 O PRO A 9 -11.069 7.249 -13.830 1.00 0.00 O ATOM 134 CB PRO A 9 -8.438 6.441 -13.955 1.00 0.00 C ATOM 135 CG PRO A 9 -8.515 5.835 -12.597 1.00 0.00 C ATOM 136 CD PRO A 9 -8.051 6.900 -11.639 1.00 0.00 C ATOM 0 HA PRO A 9 -8.272 8.588 -14.440 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.147 5.974 -14.638 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.446 6.315 -14.390 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.533 5.521 -12.367 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.885 4.948 -12.529 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -8.586 6.848 -10.691 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.990 6.801 -11.412 1.00 0.00 H new ATOM 144 N SER A 10 -10.610 9.418 -14.219 1.00 0.00 N ATOM 145 CA SER A 10 -12.005 9.788 -14.429 1.00 0.00 C ATOM 146 C SER A 10 -12.836 9.525 -13.177 1.00 0.00 C ATOM 147 O SER A 10 -13.978 9.076 -13.260 1.00 0.00 O ATOM 148 CB SER A 10 -12.587 9.017 -15.615 1.00 0.00 C ATOM 149 OG SER A 10 -13.471 9.829 -16.368 1.00 0.00 O ATOM 0 H SER A 10 -9.950 10.190 -14.310 1.00 0.00 H new ATOM 0 HA SER A 10 -12.041 10.856 -14.646 1.00 0.00 H new ATOM 0 HB2 SER A 10 -11.778 8.664 -16.255 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.116 8.135 -15.255 1.00 0.00 H new ATOM 0 HG SER A 10 -13.828 9.313 -17.121 1.00 0.00 H new ATOM 155 N ASP A 11 -12.251 9.808 -12.017 1.00 0.00 N ATOM 156 CA ASP A 11 -12.935 9.603 -10.745 1.00 0.00 C ATOM 157 C ASP A 11 -13.363 8.147 -10.581 1.00 0.00 C ATOM 158 O ASP A 11 -14.464 7.863 -10.108 1.00 0.00 O ATOM 159 CB ASP A 11 -14.154 10.522 -10.645 1.00 0.00 C ATOM 160 CG ASP A 11 -14.316 11.120 -9.261 1.00 0.00 C ATOM 161 OD1 ASP A 11 -13.316 11.634 -8.716 1.00 0.00 O ATOM 162 OD2 ASP A 11 -15.441 11.074 -8.722 1.00 0.00 O ATOM 0 H ASP A 11 -11.305 10.180 -11.932 1.00 0.00 H new ATOM 0 HA ASP A 11 -12.238 9.847 -9.943 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -14.061 11.325 -11.376 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -15.052 9.959 -10.902 1.00 0.00 H new ATOM 167 N LEU A 12 -12.488 7.228 -10.976 1.00 0.00 N ATOM 168 CA LEU A 12 -12.775 5.804 -10.873 1.00 0.00 C ATOM 169 C LEU A 12 -11.902 5.149 -9.805 1.00 0.00 C ATOM 170 O LEU A 12 -10.998 4.374 -10.115 1.00 0.00 O ATOM 171 CB LEU A 12 -12.553 5.121 -12.224 1.00 0.00 C ATOM 172 CG LEU A 12 -13.293 3.795 -12.409 1.00 0.00 C ATOM 173 CD1 LEU A 12 -12.811 2.773 -11.393 1.00 0.00 C ATOM 174 CD2 LEU A 12 -14.796 4.004 -12.288 1.00 0.00 C ATOM 0 H LEU A 12 -11.573 7.446 -11.371 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.819 5.687 -10.582 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -12.861 5.805 -13.015 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.485 4.945 -12.354 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.079 3.414 -13.408 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -13.347 1.835 -11.538 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.742 2.604 -11.526 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.997 3.146 -10.386 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -15.308 3.051 -12.422 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -15.029 4.406 -11.302 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -15.129 4.705 -13.053 1.00 0.00 H new ATOM 186 N VAL A 13 -12.176 5.472 -8.544 1.00 0.00 N ATOM 187 CA VAL A 13 -11.416 4.918 -7.432 1.00 0.00 C ATOM 188 C VAL A 13 -12.222 4.963 -6.136 1.00 0.00 C ATOM 189 O VAL A 13 -12.045 5.859 -5.311 1.00 0.00 O ATOM 190 CB VAL A 13 -10.088 5.676 -7.237 1.00 0.00 C ATOM 191 CG1 VAL A 13 -10.342 7.149 -6.950 1.00 0.00 C ATOM 192 CG2 VAL A 13 -9.263 5.037 -6.127 1.00 0.00 C ATOM 0 H VAL A 13 -12.919 6.115 -8.269 1.00 0.00 H new ATOM 0 HA VAL A 13 -11.199 3.878 -7.676 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.518 5.610 -8.163 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.390 7.663 -6.816 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -10.881 7.595 -7.786 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.937 7.245 -6.042 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.330 5.587 -6.005 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.825 5.065 -5.194 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.043 4.002 -6.387 1.00 0.00 H new ATOM 202 N LEU A 14 -13.107 3.987 -5.963 1.00 0.00 N ATOM 203 CA LEU A 14 -13.940 3.915 -4.768 1.00 0.00 C ATOM 204 C LEU A 14 -14.778 2.639 -4.765 1.00 0.00 C ATOM 205 O LEU A 14 -15.877 2.608 -5.317 1.00 0.00 O ATOM 206 CB LEU A 14 -14.850 5.140 -4.679 1.00 0.00 C ATOM 207 CG LEU A 14 -15.027 5.716 -3.273 1.00 0.00 C ATOM 208 CD1 LEU A 14 -15.495 4.636 -2.309 1.00 0.00 C ATOM 209 CD2 LEU A 14 -13.729 6.342 -2.787 1.00 0.00 C ATOM 0 H LEU A 14 -13.266 3.236 -6.634 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.283 3.898 -3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -14.448 5.920 -5.326 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -15.831 4.874 -5.072 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.790 6.494 -3.312 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.615 5.064 -1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -16.449 4.234 -2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -14.756 3.836 -2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.873 6.747 -1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.946 5.584 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.436 7.145 -3.464 1.00 0.00 H new ATOM 221 N ASP A 15 -14.252 1.593 -4.137 1.00 0.00 N ATOM 222 CA ASP A 15 -14.950 0.315 -4.058 1.00 0.00 C ATOM 223 C ASP A 15 -14.148 -0.689 -3.237 1.00 0.00 C ATOM 224 O ASP A 15 -14.690 -1.375 -2.372 1.00 0.00 O ATOM 225 CB ASP A 15 -15.201 -0.241 -5.462 1.00 0.00 C ATOM 226 CG ASP A 15 -16.353 -1.226 -5.496 1.00 0.00 C ATOM 227 OD1 ASP A 15 -16.306 -2.221 -4.743 1.00 0.00 O ATOM 228 OD2 ASP A 15 -17.303 -1.001 -6.276 1.00 0.00 O ATOM 0 H ASP A 15 -13.343 1.605 -3.674 1.00 0.00 H new ATOM 0 HA ASP A 15 -15.908 0.481 -3.565 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -15.411 0.583 -6.144 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.297 -0.731 -5.823 1.00 0.00 H new ATOM 233 N ASN A 16 -12.850 -0.768 -3.516 1.00 0.00 N ATOM 234 CA ASN A 16 -11.967 -1.684 -2.806 1.00 0.00 C ATOM 235 C ASN A 16 -10.532 -1.548 -3.308 1.00 0.00 C ATOM 236 O ASN A 16 -10.204 -1.996 -4.406 1.00 0.00 O ATOM 237 CB ASN A 16 -12.445 -3.128 -2.975 1.00 0.00 C ATOM 238 CG ASN A 16 -13.232 -3.621 -1.776 1.00 0.00 C ATOM 239 OD1 ASN A 16 -13.260 -2.974 -0.730 1.00 0.00 O ATOM 240 ND2 ASN A 16 -13.875 -4.772 -1.923 1.00 0.00 N ATOM 0 H ASN A 16 -12.387 -0.207 -4.231 1.00 0.00 H new ATOM 0 HA ASN A 16 -11.992 -1.426 -1.747 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -13.066 -3.200 -3.868 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.583 -3.777 -3.132 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -14.420 -5.154 -1.150 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -13.824 -5.275 -2.809 1.00 0.00 H new ATOM 247 N LYS A 17 -9.683 -0.925 -2.497 1.00 0.00 N ATOM 248 CA LYS A 17 -8.291 -0.729 -2.861 1.00 0.00 C ATOM 249 C LYS A 17 -7.382 -0.855 -1.641 1.00 0.00 C ATOM 250 O LYS A 17 -6.410 -0.115 -1.499 1.00 0.00 O ATOM 251 CB LYS A 17 -8.098 0.638 -3.517 1.00 0.00 C ATOM 252 CG LYS A 17 -6.975 0.672 -4.539 1.00 0.00 C ATOM 253 CD LYS A 17 -7.018 1.943 -5.372 1.00 0.00 C ATOM 254 CE LYS A 17 -7.692 1.709 -6.714 1.00 0.00 C ATOM 255 NZ LYS A 17 -6.956 2.366 -7.828 1.00 0.00 N ATOM 0 H LYS A 17 -9.938 -0.548 -1.584 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.019 -1.507 -3.574 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.028 0.933 -4.003 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.895 1.377 -2.742 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.015 0.603 -4.028 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -7.051 -0.196 -5.194 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.554 2.719 -4.825 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.004 2.308 -5.532 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.758 0.638 -6.905 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.713 2.090 -6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.448 2.182 -8.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.915 3.391 -7.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.990 1.984 -7.879 1.00 0.00 H new ATOM 269 N ALA A 18 -7.706 -1.801 -0.765 1.00 0.00 N ATOM 270 CA ALA A 18 -6.918 -2.026 0.440 1.00 0.00 C ATOM 271 C ALA A 18 -5.519 -2.523 0.092 1.00 0.00 C ATOM 272 O ALA A 18 -4.553 -1.761 0.131 1.00 0.00 O ATOM 273 CB ALA A 18 -7.623 -3.018 1.354 1.00 0.00 C ATOM 0 H ALA A 18 -8.508 -2.423 -0.868 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.818 -1.076 0.965 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.023 -3.177 2.250 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.599 -2.623 1.636 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.752 -3.966 0.831 1.00 0.00 H new ATOM 279 N ALA A 19 -5.417 -3.802 -0.251 1.00 0.00 N ATOM 280 CA ALA A 19 -4.136 -4.395 -0.608 1.00 0.00 C ATOM 281 C ALA A 19 -3.562 -3.741 -1.859 1.00 0.00 C ATOM 282 O ALA A 19 -2.347 -3.681 -2.038 1.00 0.00 O ATOM 283 CB ALA A 19 -4.282 -5.895 -0.810 1.00 0.00 C ATOM 0 H ALA A 19 -6.206 -4.447 -0.289 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.441 -4.221 0.214 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.315 -6.322 -1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.640 -6.353 0.112 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.996 -6.086 -1.611 1.00 0.00 H new ATOM 289 N LEU A 20 -4.446 -3.244 -2.721 1.00 0.00 N ATOM 290 CA LEU A 20 -4.021 -2.584 -3.951 1.00 0.00 C ATOM 291 C LEU A 20 -3.011 -1.485 -3.640 1.00 0.00 C ATOM 292 O LEU A 20 -2.100 -1.223 -4.425 1.00 0.00 O ATOM 293 CB LEU A 20 -5.230 -2.000 -4.687 1.00 0.00 C ATOM 294 CG LEU A 20 -5.499 -2.601 -6.068 1.00 0.00 C ATOM 295 CD1 LEU A 20 -4.360 -2.276 -7.021 1.00 0.00 C ATOM 296 CD2 LEU A 20 -5.696 -4.106 -5.964 1.00 0.00 C ATOM 0 H LEU A 20 -5.457 -3.286 -2.591 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.545 -3.323 -4.595 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.116 -2.140 -4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.085 -0.925 -4.797 1.00 0.00 H new ATOM 0 HG LEU A 20 -6.414 -2.161 -6.464 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.568 -2.711 -7.998 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.264 -1.195 -7.118 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.430 -2.689 -6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.886 -4.517 -6.955 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -4.798 -4.563 -5.548 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.545 -4.318 -5.314 1.00 0.00 H new ATOM 308 N ARG A 21 -3.179 -0.852 -2.484 1.00 0.00 N ATOM 309 CA ARG A 21 -2.284 0.208 -2.060 1.00 0.00 C ATOM 310 C ARG A 21 -1.052 -0.373 -1.385 1.00 0.00 C ATOM 311 O ARG A 21 0.049 0.164 -1.508 1.00 0.00 O ATOM 312 CB ARG A 21 -3.004 1.175 -1.115 1.00 0.00 C ATOM 313 CG ARG A 21 -3.233 2.552 -1.714 1.00 0.00 C ATOM 314 CD ARG A 21 -4.009 2.471 -3.020 1.00 0.00 C ATOM 315 NE ARG A 21 -4.981 3.553 -3.148 1.00 0.00 N ATOM 316 CZ ARG A 21 -4.663 4.795 -3.511 1.00 0.00 C ATOM 317 NH1 ARG A 21 -3.404 5.112 -3.784 1.00 0.00 N ATOM 318 NH2 ARG A 21 -5.609 5.720 -3.602 1.00 0.00 N ATOM 0 H ARG A 21 -3.930 -1.058 -1.825 1.00 0.00 H new ATOM 0 HA ARG A 21 -1.966 0.762 -2.944 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.966 0.746 -0.833 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.420 1.278 -0.200 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.779 3.173 -1.003 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.273 3.038 -1.890 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.313 2.508 -3.858 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.525 1.512 -3.076 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.960 3.346 -2.948 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.674 4.403 -3.717 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.167 6.064 -4.061 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.578 5.480 -3.394 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.367 6.671 -3.880 1.00 0.00 H new ATOM 332 N ASP A 22 -1.246 -1.478 -0.681 1.00 0.00 N ATOM 333 CA ASP A 22 -0.147 -2.141 0.003 1.00 0.00 C ATOM 334 C ASP A 22 0.808 -2.749 -1.009 1.00 0.00 C ATOM 335 O ASP A 22 2.015 -2.820 -0.777 1.00 0.00 O ATOM 336 CB ASP A 22 -0.671 -3.215 0.957 1.00 0.00 C ATOM 337 CG ASP A 22 -0.929 -2.676 2.351 1.00 0.00 C ATOM 338 OD1 ASP A 22 -0.235 -1.721 2.756 1.00 0.00 O ATOM 339 OD2 ASP A 22 -1.827 -3.210 3.037 1.00 0.00 O ATOM 0 H ASP A 22 -2.152 -1.933 -0.569 1.00 0.00 H new ATOM 0 HA ASP A 22 0.392 -1.399 0.592 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.594 -3.634 0.556 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.051 -4.030 1.014 1.00 0.00 H new ATOM 344 N TYR A 23 0.262 -3.163 -2.142 1.00 0.00 N ATOM 345 CA TYR A 23 1.068 -3.739 -3.205 1.00 0.00 C ATOM 346 C TYR A 23 2.082 -2.713 -3.682 1.00 0.00 C ATOM 347 O TYR A 23 3.189 -3.056 -4.099 1.00 0.00 O ATOM 348 CB TYR A 23 0.183 -4.192 -4.368 1.00 0.00 C ATOM 349 CG TYR A 23 0.946 -4.872 -5.483 1.00 0.00 C ATOM 350 CD1 TYR A 23 1.493 -4.134 -6.526 1.00 0.00 C ATOM 351 CD2 TYR A 23 1.120 -6.250 -5.493 1.00 0.00 C ATOM 352 CE1 TYR A 23 2.191 -4.751 -7.547 1.00 0.00 C ATOM 353 CE2 TYR A 23 1.817 -6.874 -6.509 1.00 0.00 C ATOM 354 CZ TYR A 23 2.351 -6.120 -7.534 1.00 0.00 C ATOM 355 OH TYR A 23 3.046 -6.737 -8.547 1.00 0.00 O ATOM 0 H TYR A 23 -0.736 -3.111 -2.348 1.00 0.00 H new ATOM 0 HA TYR A 23 1.593 -4.613 -2.819 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.577 -4.876 -3.990 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.341 -3.326 -4.773 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.371 -3.061 -6.539 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.703 -6.844 -4.693 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.609 -4.163 -8.351 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.943 -7.947 -6.501 1.00 0.00 H new ATOM 0 HH TYR A 23 3.068 -7.704 -8.387 1.00 0.00 H new ATOM 365 N LEU A 24 1.696 -1.448 -3.593 1.00 0.00 N ATOM 366 CA LEU A 24 2.561 -0.352 -3.988 1.00 0.00 C ATOM 367 C LEU A 24 3.549 -0.037 -2.873 1.00 0.00 C ATOM 368 O LEU A 24 4.663 0.422 -3.124 1.00 0.00 O ATOM 369 CB LEU A 24 1.732 0.887 -4.333 1.00 0.00 C ATOM 370 CG LEU A 24 1.651 1.217 -5.824 1.00 0.00 C ATOM 371 CD1 LEU A 24 3.032 1.539 -6.375 1.00 0.00 C ATOM 372 CD2 LEU A 24 1.026 0.062 -6.591 1.00 0.00 C ATOM 0 H LEU A 24 0.782 -1.157 -3.248 1.00 0.00 H new ATOM 0 HA LEU A 24 3.118 -0.650 -4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.720 0.746 -3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.153 1.745 -3.809 1.00 0.00 H new ATOM 0 HG LEU A 24 1.018 2.096 -5.949 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.955 1.771 -7.437 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.444 2.398 -5.845 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.688 0.679 -6.238 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.976 0.314 -7.650 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.633 -0.833 -6.459 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.020 -0.123 -6.214 1.00 0.00 H new ATOM 384 N ARG A 25 3.132 -0.297 -1.636 1.00 0.00 N ATOM 385 CA ARG A 25 3.976 -0.051 -0.480 1.00 0.00 C ATOM 386 C ARG A 25 4.973 -1.186 -0.286 1.00 0.00 C ATOM 387 O ARG A 25 6.054 -0.991 0.270 1.00 0.00 O ATOM 388 CB ARG A 25 3.122 0.119 0.778 1.00 0.00 C ATOM 389 CG ARG A 25 3.823 0.877 1.892 1.00 0.00 C ATOM 390 CD ARG A 25 2.833 1.617 2.777 1.00 0.00 C ATOM 391 NE ARG A 25 2.422 2.893 2.191 1.00 0.00 N ATOM 392 CZ ARG A 25 1.316 3.063 1.468 1.00 0.00 C ATOM 393 NH1 ARG A 25 0.492 2.047 1.240 1.00 0.00 N ATOM 394 NH2 ARG A 25 1.031 4.260 0.972 1.00 0.00 N ATOM 0 H ARG A 25 2.213 -0.678 -1.413 1.00 0.00 H new ATOM 0 HA ARG A 25 4.532 0.870 -0.656 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.204 0.644 0.515 1.00 0.00 H new ATOM 0 HB3 ARG A 25 2.833 -0.865 1.146 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.403 0.180 2.498 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.528 1.588 1.461 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.954 0.993 2.939 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.282 1.795 3.754 1.00 0.00 H new ATOM 0 HE ARG A 25 3.020 3.704 2.346 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.703 1.124 1.620 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.352 2.189 0.685 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.658 5.046 1.145 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.185 4.394 0.418 1.00 0.00 H new ATOM 408 N GLN A 26 4.602 -2.374 -0.750 1.00 0.00 N ATOM 409 CA GLN A 26 5.456 -3.542 -0.633 1.00 0.00 C ATOM 410 C GLN A 26 6.260 -3.769 -1.911 1.00 0.00 C ATOM 411 O GLN A 26 7.251 -4.497 -1.906 1.00 0.00 O ATOM 412 CB GLN A 26 4.620 -4.782 -0.310 1.00 0.00 C ATOM 413 CG GLN A 26 5.250 -5.680 0.743 1.00 0.00 C ATOM 414 CD GLN A 26 4.361 -6.850 1.118 1.00 0.00 C ATOM 415 OE1 GLN A 26 4.714 -8.009 0.896 1.00 0.00 O ATOM 416 NE2 GLN A 26 3.201 -6.552 1.692 1.00 0.00 N ATOM 0 H GLN A 26 3.710 -2.550 -1.212 1.00 0.00 H new ATOM 0 HA GLN A 26 6.158 -3.364 0.182 1.00 0.00 H new ATOM 0 HB2 GLN A 26 3.635 -4.467 0.035 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.469 -5.357 -1.224 1.00 0.00 H new ATOM 0 HG2 GLN A 26 6.203 -6.057 0.371 1.00 0.00 H new ATOM 0 HG3 GLN A 26 5.466 -5.092 1.635 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.949 -5.577 1.857 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.562 -7.298 1.968 1.00 0.00 H new ATOM 425 N ILE A 27 5.832 -3.138 -3.003 1.00 0.00 N ATOM 426 CA ILE A 27 6.522 -3.271 -4.281 1.00 0.00 C ATOM 427 C ILE A 27 8.024 -3.063 -4.107 1.00 0.00 C ATOM 428 O ILE A 27 8.836 -3.807 -4.656 1.00 0.00 O ATOM 429 CB ILE A 27 5.959 -2.271 -5.323 1.00 0.00 C ATOM 430 CG1 ILE A 27 5.889 -2.926 -6.703 1.00 0.00 C ATOM 431 CG2 ILE A 27 6.784 -0.989 -5.381 1.00 0.00 C ATOM 432 CD1 ILE A 27 5.014 -4.159 -6.746 1.00 0.00 C ATOM 0 H ILE A 27 5.012 -2.531 -3.027 1.00 0.00 H new ATOM 0 HA ILE A 27 6.351 -4.282 -4.650 1.00 0.00 H new ATOM 0 HB ILE A 27 4.952 -1.997 -5.008 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.512 -2.199 -7.422 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.897 -3.195 -7.020 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.357 -0.315 -6.123 1.00 0.00 H new ATOM 0 HG22 ILE A 27 6.775 -0.506 -4.404 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.811 -1.229 -5.658 1.00 0.00 H new ATOM 0 HD11 ILE A 27 5.013 -4.569 -7.756 1.00 0.00 H new ATOM 0 HD12 ILE A 27 5.402 -4.905 -6.052 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.996 -3.893 -6.461 1.00 0.00 H new ATOM 444 N ASN A 28 8.375 -2.046 -3.332 1.00 0.00 N ATOM 445 CA ASN A 28 9.770 -1.730 -3.070 1.00 0.00 C ATOM 446 C ASN A 28 10.365 -2.701 -2.060 1.00 0.00 C ATOM 447 O ASN A 28 11.568 -2.958 -2.070 1.00 0.00 O ATOM 448 CB ASN A 28 9.908 -0.290 -2.569 1.00 0.00 C ATOM 449 CG ASN A 28 10.507 0.631 -3.614 1.00 0.00 C ATOM 450 OD1 ASN A 28 11.129 0.178 -4.574 1.00 0.00 O ATOM 451 ND2 ASN A 28 10.321 1.934 -3.430 1.00 0.00 N ATOM 0 H ASN A 28 7.709 -1.424 -2.873 1.00 0.00 H new ATOM 0 HA ASN A 28 10.322 -1.829 -4.005 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.927 0.086 -2.277 1.00 0.00 H new ATOM 0 HB3 ASN A 28 10.533 -0.277 -1.676 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.701 2.603 -4.100 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.798 2.265 -2.619 1.00 0.00 H new ATOM 458 N GLU A 29 9.517 -3.253 -1.191 1.00 0.00 N ATOM 459 CA GLU A 29 9.979 -4.204 -0.196 1.00 0.00 C ATOM 460 C GLU A 29 9.903 -5.626 -0.735 1.00 0.00 C ATOM 461 O GLU A 29 9.774 -6.592 0.019 1.00 0.00 O ATOM 462 CB GLU A 29 9.170 -4.075 1.097 1.00 0.00 C ATOM 463 CG GLU A 29 10.025 -4.086 2.353 1.00 0.00 C ATOM 464 CD GLU A 29 10.172 -2.709 2.971 1.00 0.00 C ATOM 465 OE1 GLU A 29 10.983 -1.910 2.457 1.00 0.00 O ATOM 466 OE2 GLU A 29 9.478 -2.430 3.970 1.00 0.00 O ATOM 0 H GLU A 29 8.517 -3.056 -1.161 1.00 0.00 H new ATOM 0 HA GLU A 29 11.021 -3.978 0.030 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.597 -3.149 1.066 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.452 -4.893 1.149 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.582 -4.763 3.084 1.00 0.00 H new ATOM 0 HG3 GLU A 29 11.013 -4.479 2.112 1.00 0.00 H new ATOM 473 N TYR A 30 10.006 -5.734 -2.049 1.00 0.00 N ATOM 474 CA TYR A 30 9.978 -7.009 -2.733 1.00 0.00 C ATOM 475 C TYR A 30 11.208 -7.142 -3.617 1.00 0.00 C ATOM 476 O TYR A 30 11.758 -8.230 -3.784 1.00 0.00 O ATOM 477 CB TYR A 30 8.703 -7.147 -3.569 1.00 0.00 C ATOM 478 CG TYR A 30 8.435 -8.559 -4.037 1.00 0.00 C ATOM 479 CD1 TYR A 30 8.420 -9.618 -3.139 1.00 0.00 C ATOM 480 CD2 TYR A 30 8.195 -8.833 -5.378 1.00 0.00 C ATOM 481 CE1 TYR A 30 8.174 -10.911 -3.563 1.00 0.00 C ATOM 482 CE2 TYR A 30 7.949 -10.123 -5.810 1.00 0.00 C ATOM 483 CZ TYR A 30 7.939 -11.157 -4.899 1.00 0.00 C ATOM 484 OH TYR A 30 7.694 -12.442 -5.326 1.00 0.00 O ATOM 0 H TYR A 30 10.112 -4.933 -2.672 1.00 0.00 H new ATOM 0 HA TYR A 30 9.983 -7.807 -1.990 1.00 0.00 H new ATOM 0 HB2 TYR A 30 7.853 -6.801 -2.980 1.00 0.00 H new ATOM 0 HB3 TYR A 30 8.776 -6.493 -4.438 1.00 0.00 H new ATOM 0 HD1 TYR A 30 8.604 -9.429 -2.092 1.00 0.00 H new ATOM 0 HD2 TYR A 30 8.201 -8.025 -6.095 1.00 0.00 H new ATOM 0 HE1 TYR A 30 8.166 -11.724 -2.852 1.00 0.00 H new ATOM 0 HE2 TYR A 30 7.766 -10.319 -6.856 1.00 0.00 H new ATOM 0 HH TYR A 30 7.548 -12.442 -6.295 1.00 0.00 H new ATOM 494 N PHE A 31 11.640 -6.015 -4.171 1.00 0.00 N ATOM 495 CA PHE A 31 12.810 -5.978 -5.024 1.00 0.00 C ATOM 496 C PHE A 31 14.064 -5.663 -4.210 1.00 0.00 C ATOM 497 O PHE A 31 15.183 -5.902 -4.664 1.00 0.00 O ATOM 498 CB PHE A 31 12.632 -4.939 -6.132 1.00 0.00 C ATOM 499 CG PHE A 31 11.473 -5.227 -7.043 1.00 0.00 C ATOM 500 CD1 PHE A 31 11.408 -6.420 -7.748 1.00 0.00 C ATOM 501 CD2 PHE A 31 10.450 -4.305 -7.198 1.00 0.00 C ATOM 502 CE1 PHE A 31 10.345 -6.687 -8.587 1.00 0.00 C ATOM 503 CE2 PHE A 31 9.384 -4.568 -8.036 1.00 0.00 C ATOM 504 CZ PHE A 31 9.331 -5.761 -8.731 1.00 0.00 C ATOM 0 H PHE A 31 11.189 -5.110 -4.040 1.00 0.00 H new ATOM 0 HA PHE A 31 12.928 -6.962 -5.478 1.00 0.00 H new ATOM 0 HB2 PHE A 31 12.493 -3.957 -5.680 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.546 -4.891 -6.724 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.198 -7.148 -7.639 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.487 -3.371 -6.658 1.00 0.00 H new ATOM 0 HE1 PHE A 31 10.306 -7.620 -9.130 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.593 -3.842 -8.148 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.498 -5.969 -9.386 1.00 0.00 H new ATOM 514 N ALA A 32 13.872 -5.130 -3.004 1.00 0.00 N ATOM 515 CA ALA A 32 14.996 -4.789 -2.139 1.00 0.00 C ATOM 516 C ALA A 32 15.810 -6.029 -1.785 1.00 0.00 C ATOM 517 O ALA A 32 17.039 -5.987 -1.744 1.00 0.00 O ATOM 518 CB ALA A 32 14.499 -4.102 -0.875 1.00 0.00 C ATOM 0 H ALA A 32 12.954 -4.927 -2.607 1.00 0.00 H new ATOM 0 HA ALA A 32 15.646 -4.102 -2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.348 -3.853 -0.238 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.966 -3.190 -1.142 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.827 -4.771 -0.338 1.00 0.00 H new ATOM 524 N ILE A 33 15.114 -7.131 -1.525 1.00 0.00 N ATOM 525 CA ILE A 33 15.766 -8.383 -1.169 1.00 0.00 C ATOM 526 C ILE A 33 16.399 -9.047 -2.386 1.00 0.00 C ATOM 527 O ILE A 33 17.620 -9.181 -2.469 1.00 0.00 O ATOM 528 CB ILE A 33 14.775 -9.368 -0.521 1.00 0.00 C ATOM 529 CG1 ILE A 33 13.975 -8.672 0.582 1.00 0.00 C ATOM 530 CG2 ILE A 33 15.514 -10.575 0.036 1.00 0.00 C ATOM 531 CD1 ILE A 33 14.829 -8.167 1.724 1.00 0.00 C ATOM 0 H ILE A 33 14.096 -7.181 -1.555 1.00 0.00 H new ATOM 0 HA ILE A 33 16.547 -8.134 -0.450 1.00 0.00 H new ATOM 0 HB ILE A 33 14.079 -9.713 -1.286 1.00 0.00 H new ATOM 0 HG12 ILE A 33 13.429 -7.834 0.149 1.00 0.00 H new ATOM 0 HG13 ILE A 33 13.233 -9.367 0.974 1.00 0.00 H new ATOM 0 HG21 ILE A 33 14.799 -11.261 0.490 1.00 0.00 H new ATOM 0 HG22 ILE A 33 16.042 -11.083 -0.771 1.00 0.00 H new ATOM 0 HG23 ILE A 33 16.231 -10.247 0.789 1.00 0.00 H new ATOM 0 HD11 ILE A 33 14.194 -7.685 2.468 1.00 0.00 H new ATOM 0 HD12 ILE A 33 15.355 -9.004 2.183 1.00 0.00 H new ATOM 0 HD13 ILE A 33 15.554 -7.447 1.345 1.00 0.00 H new ATOM 543 N ILE A 34 15.559 -9.470 -3.327 1.00 0.00 N ATOM 544 CA ILE A 34 16.034 -10.128 -4.539 1.00 0.00 C ATOM 545 C ILE A 34 16.887 -9.193 -5.391 1.00 0.00 C ATOM 546 O ILE A 34 17.654 -9.644 -6.244 1.00 0.00 O ATOM 547 CB ILE A 34 14.861 -10.655 -5.390 1.00 0.00 C ATOM 548 CG1 ILE A 34 13.917 -11.500 -4.532 1.00 0.00 C ATOM 549 CG2 ILE A 34 15.382 -11.464 -6.569 1.00 0.00 C ATOM 550 CD1 ILE A 34 12.745 -12.069 -5.303 1.00 0.00 C ATOM 0 H ILE A 34 14.546 -9.368 -3.273 1.00 0.00 H new ATOM 0 HA ILE A 34 16.647 -10.968 -4.214 1.00 0.00 H new ATOM 0 HB ILE A 34 14.303 -9.803 -5.778 1.00 0.00 H new ATOM 0 HG12 ILE A 34 14.480 -12.320 -4.086 1.00 0.00 H new ATOM 0 HG13 ILE A 34 13.540 -10.889 -3.712 1.00 0.00 H new ATOM 0 HG21 ILE A 34 14.542 -11.829 -7.160 1.00 0.00 H new ATOM 0 HG22 ILE A 34 16.016 -10.833 -7.191 1.00 0.00 H new ATOM 0 HG23 ILE A 34 15.962 -12.311 -6.201 1.00 0.00 H new ATOM 0 HD11 ILE A 34 12.119 -12.656 -4.632 1.00 0.00 H new ATOM 0 HD12 ILE A 34 12.158 -11.254 -5.727 1.00 0.00 H new ATOM 0 HD13 ILE A 34 13.113 -12.707 -6.107 1.00 0.00 H new ATOM 562 N GLY A 35 16.751 -7.894 -5.162 1.00 0.00 N ATOM 563 CA GLY A 35 17.517 -6.923 -5.922 1.00 0.00 C ATOM 564 C GLY A 35 18.902 -6.697 -5.350 1.00 0.00 C ATOM 565 O GLY A 35 19.846 -7.406 -5.695 1.00 0.00 O ATOM 0 H GLY A 35 16.124 -7.494 -4.464 1.00 0.00 H new ATOM 0 HA2 GLY A 35 17.605 -7.263 -6.954 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.978 -5.976 -5.943 1.00 0.00 H new ATOM 569 N ARG A 36 19.021 -5.705 -4.474 1.00 0.00 N ATOM 570 CA ARG A 36 20.302 -5.385 -3.852 1.00 0.00 C ATOM 571 C ARG A 36 21.359 -5.077 -4.911 1.00 0.00 C ATOM 572 O ARG A 36 22.283 -5.861 -5.127 1.00 0.00 O ATOM 573 CB ARG A 36 20.769 -6.543 -2.968 1.00 0.00 C ATOM 574 CG ARG A 36 21.862 -6.158 -1.986 1.00 0.00 C ATOM 575 CD ARG A 36 21.281 -5.670 -0.668 1.00 0.00 C ATOM 576 NE ARG A 36 20.583 -6.735 0.050 1.00 0.00 N ATOM 577 CZ ARG A 36 20.306 -6.693 1.351 1.00 0.00 C ATOM 578 NH1 ARG A 36 20.665 -5.645 2.081 1.00 0.00 N ATOM 579 NH2 ARG A 36 19.666 -7.705 1.924 1.00 0.00 N ATOM 0 H ARG A 36 18.248 -5.109 -4.179 1.00 0.00 H new ATOM 0 HA ARG A 36 20.165 -4.499 -3.232 1.00 0.00 H new ATOM 0 HB2 ARG A 36 19.915 -6.933 -2.414 1.00 0.00 H new ATOM 0 HB3 ARG A 36 21.132 -7.351 -3.604 1.00 0.00 H new ATOM 0 HG2 ARG A 36 22.508 -7.017 -1.804 1.00 0.00 H new ATOM 0 HG3 ARG A 36 22.485 -5.377 -2.421 1.00 0.00 H new ATOM 0 HD2 ARG A 36 22.082 -5.276 -0.043 1.00 0.00 H new ATOM 0 HD3 ARG A 36 20.591 -4.848 -0.858 1.00 0.00 H new ATOM 0 HE ARG A 36 20.291 -7.558 -0.477 1.00 0.00 H new ATOM 0 HH11 ARG A 36 21.157 -4.865 1.646 1.00 0.00 H new ATOM 0 HH12 ARG A 36 20.449 -5.620 3.078 1.00 0.00 H new ATOM 0 HH21 ARG A 36 19.387 -8.513 1.367 1.00 0.00 H new ATOM 0 HH22 ARG A 36 19.453 -7.675 2.921 1.00 0.00 H new ATOM 593 N PRO A 37 21.235 -3.922 -5.590 1.00 0.00 N ATOM 594 CA PRO A 37 22.182 -3.513 -6.632 1.00 0.00 C ATOM 595 C PRO A 37 23.556 -3.173 -6.064 1.00 0.00 C ATOM 596 O PRO A 37 23.827 -2.025 -5.711 1.00 0.00 O ATOM 597 CB PRO A 37 21.532 -2.267 -7.238 1.00 0.00 C ATOM 598 CG PRO A 37 20.656 -1.731 -6.159 1.00 0.00 C ATOM 599 CD PRO A 37 20.162 -2.929 -5.396 1.00 0.00 C ATOM 0 HA PRO A 37 22.360 -4.310 -7.354 1.00 0.00 H new ATOM 0 HB2 PRO A 37 22.283 -1.536 -7.538 1.00 0.00 H new ATOM 0 HB3 PRO A 37 20.955 -2.515 -8.129 1.00 0.00 H new ATOM 0 HG2 PRO A 37 21.208 -1.054 -5.508 1.00 0.00 H new ATOM 0 HG3 PRO A 37 19.824 -1.164 -6.577 1.00 0.00 H new ATOM 0 HD2 PRO A 37 20.012 -2.700 -4.341 1.00 0.00 H new ATOM 0 HD3 PRO A 37 19.208 -3.287 -5.783 1.00 0.00 H new ATOM 607 N ARG A 38 24.422 -4.179 -5.981 1.00 0.00 N ATOM 608 CA ARG A 38 25.769 -3.988 -5.458 1.00 0.00 C ATOM 609 C ARG A 38 26.584 -3.080 -6.374 1.00 0.00 C ATOM 610 O ARG A 38 26.517 -3.194 -7.598 1.00 0.00 O ATOM 611 CB ARG A 38 26.473 -5.335 -5.297 1.00 0.00 C ATOM 612 CG ARG A 38 25.667 -6.355 -4.509 1.00 0.00 C ATOM 613 CD ARG A 38 25.515 -5.945 -3.053 1.00 0.00 C ATOM 614 NE ARG A 38 25.854 -7.032 -2.140 1.00 0.00 N ATOM 615 CZ ARG A 38 25.167 -8.170 -2.053 1.00 0.00 C ATOM 616 NH1 ARG A 38 24.105 -8.372 -2.824 1.00 0.00 N ATOM 617 NH2 ARG A 38 25.543 -9.108 -1.195 1.00 0.00 N ATOM 0 H ARG A 38 24.214 -5.135 -6.270 1.00 0.00 H new ATOM 0 HA ARG A 38 25.688 -3.511 -4.481 1.00 0.00 H new ATOM 0 HB2 ARG A 38 26.691 -5.742 -6.285 1.00 0.00 H new ATOM 0 HB3 ARG A 38 27.430 -5.178 -4.799 1.00 0.00 H new ATOM 0 HG2 ARG A 38 24.681 -6.468 -4.960 1.00 0.00 H new ATOM 0 HG3 ARG A 38 26.156 -7.327 -4.564 1.00 0.00 H new ATOM 0 HD2 ARG A 38 26.156 -5.087 -2.849 1.00 0.00 H new ATOM 0 HD3 ARG A 38 24.489 -5.626 -2.872 1.00 0.00 H new ATOM 0 HE ARG A 38 26.665 -6.913 -1.533 1.00 0.00 H new ATOM 0 HH11 ARG A 38 23.812 -7.654 -3.487 1.00 0.00 H new ATOM 0 HH12 ARG A 38 23.582 -9.245 -2.754 1.00 0.00 H new ATOM 0 HH21 ARG A 38 26.359 -8.959 -0.601 1.00 0.00 H new ATOM 0 HH22 ARG A 38 25.017 -9.979 -1.129 1.00 0.00 H new ATOM 631 N PHE A 39 27.354 -2.178 -5.773 1.00 0.00 N ATOM 632 CA PHE A 39 28.184 -1.252 -6.536 1.00 0.00 C ATOM 633 C PHE A 39 29.486 -0.956 -5.802 1.00 0.00 C ATOM 634 O PHE A 39 30.575 -1.136 -6.349 1.00 0.00 O ATOM 635 CB PHE A 39 27.424 0.051 -6.795 1.00 0.00 C ATOM 636 CG PHE A 39 27.887 0.783 -8.024 1.00 0.00 C ATOM 637 CD1 PHE A 39 27.453 0.396 -9.281 1.00 0.00 C ATOM 638 CD2 PHE A 39 28.758 1.855 -7.920 1.00 0.00 C ATOM 639 CE1 PHE A 39 27.877 1.067 -10.413 1.00 0.00 C ATOM 640 CE2 PHE A 39 29.185 2.530 -9.048 1.00 0.00 C ATOM 641 CZ PHE A 39 28.744 2.135 -10.296 1.00 0.00 C ATOM 0 H PHE A 39 27.420 -2.069 -4.761 1.00 0.00 H new ATOM 0 HA PHE A 39 28.425 -1.721 -7.490 1.00 0.00 H new ATOM 0 HB2 PHE A 39 26.361 -0.171 -6.893 1.00 0.00 H new ATOM 0 HB3 PHE A 39 27.534 0.705 -5.930 1.00 0.00 H new ATOM 0 HD1 PHE A 39 26.776 -0.440 -9.378 1.00 0.00 H new ATOM 0 HD2 PHE A 39 29.107 2.167 -6.947 1.00 0.00 H new ATOM 0 HE1 PHE A 39 27.530 0.756 -11.387 1.00 0.00 H new ATOM 0 HE2 PHE A 39 29.863 3.366 -8.954 1.00 0.00 H new ATOM 0 HZ PHE A 39 29.077 2.661 -11.179 1.00 0.00 H new HETATM 651 N NH2 A 40 29.376 -0.501 -4.559 1.00 0.00 N TER 654 NH2 A 40