USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 263 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASN : amide:sc= -0.2 K(o=-0.2,f=-0.89) USER MOD Single : A 1 ASN N :NH3+ 180:sc= -0.24 (180deg=-0.24) USER MOD Single : A 8 GLN : amide:sc=-0.00243 X(o=-0.0024,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 148:sc= -0.289 (180deg=-1.48!) USER MOD Single : A 14 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 15 GLN : amide:sc= -0.145 X(o=-0.15,f=-0.15) USER MOD Single : A 17 THR OG1 : rot 70:sc= 1.2 USER MOD Single : A 18 SER OG : rot -45:sc= -0.0222! USER MOD Single : A 24 GLN : amide:sc= -1.9! C(o=-1.9!,f=-1.7!) USER MOD Single : A 25 HIS : no HD1:sc= -1.04 X(o=-1,f=-0.97) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 39.455 -33.139 15.610 1.00 0.00 N ATOM 2 CA ASN A 1 40.324 -33.825 16.607 1.00 0.00 C ATOM 3 C ASN A 1 39.470 -34.747 17.478 1.00 0.00 C ATOM 4 O ASN A 1 39.976 -35.589 18.193 1.00 0.00 O ATOM 5 CB ASN A 1 41.009 -32.780 17.491 1.00 0.00 C ATOM 6 CG ASN A 1 39.955 -32.025 18.303 1.00 0.00 C ATOM 7 OD1 ASN A 1 39.495 -32.505 19.320 1.00 0.00 O ATOM 8 ND2 ASN A 1 39.550 -30.852 17.896 1.00 0.00 N ATOM 0 H1 ASN A 1 40.035 -32.512 15.017 1.00 0.00 H new ATOM 0 H2 ASN A 1 38.988 -33.849 15.010 1.00 0.00 H new ATOM 0 H3 ASN A 1 38.734 -32.577 16.106 1.00 0.00 H new ATOM 0 HA ASN A 1 41.080 -34.413 16.087 1.00 0.00 H new ATOM 0 HB2 ASN A 1 41.720 -33.265 18.160 1.00 0.00 H new ATOM 0 HB3 ASN A 1 41.576 -32.083 16.874 1.00 0.00 H new ATOM 0 HD21 ASN A 1 38.849 -30.340 18.432 1.00 0.00 H new ATOM 0 HD22 ASN A 1 39.935 -30.447 17.043 1.00 0.00 H new ATOM 17 N GLU A 2 38.176 -34.590 17.429 1.00 0.00 N ATOM 18 CA GLU A 2 37.286 -35.450 18.256 1.00 0.00 C ATOM 19 C GLU A 2 37.121 -36.820 17.586 1.00 0.00 C ATOM 20 O GLU A 2 38.028 -37.319 16.950 1.00 0.00 O ATOM 21 CB GLU A 2 35.925 -34.765 18.396 1.00 0.00 C ATOM 22 CG GLU A 2 35.329 -34.514 17.009 1.00 0.00 C ATOM 23 CD GLU A 2 33.985 -33.798 17.155 1.00 0.00 C ATOM 24 OE1 GLU A 2 33.516 -33.684 18.277 1.00 0.00 O ATOM 25 OE2 GLU A 2 33.447 -33.375 16.145 1.00 0.00 O ATOM 0 H GLU A 2 37.696 -33.901 16.850 1.00 0.00 H new ATOM 0 HA GLU A 2 37.724 -35.595 19.244 1.00 0.00 H new ATOM 0 HB2 GLU A 2 35.252 -35.389 18.984 1.00 0.00 H new ATOM 0 HB3 GLU A 2 36.035 -33.822 18.931 1.00 0.00 H new ATOM 0 HG2 GLU A 2 36.012 -33.910 16.411 1.00 0.00 H new ATOM 0 HG3 GLU A 2 35.195 -35.459 16.482 1.00 0.00 H new ATOM 32 N LEU A 3 35.973 -37.434 17.721 1.00 0.00 N ATOM 33 CA LEU A 3 35.769 -38.768 17.088 1.00 0.00 C ATOM 34 C LEU A 3 35.512 -38.584 15.591 1.00 0.00 C ATOM 35 O LEU A 3 35.825 -37.560 15.018 1.00 0.00 O ATOM 36 CB LEU A 3 34.564 -39.483 17.722 1.00 0.00 C ATOM 37 CG LEU A 3 34.625 -39.433 19.269 1.00 0.00 C ATOM 38 CD1 LEU A 3 36.060 -39.694 19.752 1.00 0.00 C ATOM 39 CD2 LEU A 3 34.137 -38.068 19.813 1.00 0.00 C ATOM 0 H LEU A 3 35.173 -37.070 18.239 1.00 0.00 H new ATOM 0 HA LEU A 3 36.663 -39.372 17.243 1.00 0.00 H new ATOM 0 HB2 LEU A 3 33.641 -39.017 17.378 1.00 0.00 H new ATOM 0 HB3 LEU A 3 34.540 -40.521 17.391 1.00 0.00 H new ATOM 0 HG LEU A 3 33.962 -40.210 19.650 1.00 0.00 H new ATOM 0 HD11 LEU A 3 36.090 -39.656 20.841 1.00 0.00 H new ATOM 0 HD12 LEU A 3 36.384 -40.678 19.414 1.00 0.00 H new ATOM 0 HD13 LEU A 3 36.725 -38.933 19.344 1.00 0.00 H new ATOM 0 HD21 LEU A 3 34.194 -38.069 20.902 1.00 0.00 H new ATOM 0 HD22 LEU A 3 34.768 -37.272 19.418 1.00 0.00 H new ATOM 0 HD23 LEU A 3 33.105 -37.901 19.503 1.00 0.00 H new ATOM 51 N ASP A 4 34.943 -39.573 14.951 1.00 0.00 N ATOM 52 CA ASP A 4 34.658 -39.465 13.486 1.00 0.00 C ATOM 53 C ASP A 4 33.339 -40.176 13.172 1.00 0.00 C ATOM 54 O ASP A 4 33.309 -41.162 12.463 1.00 0.00 O ATOM 55 CB ASP A 4 35.794 -40.122 12.694 1.00 0.00 C ATOM 56 CG ASP A 4 35.714 -39.687 11.229 1.00 0.00 C ATOM 57 OD1 ASP A 4 35.926 -38.514 10.968 1.00 0.00 O ATOM 58 OD2 ASP A 4 35.440 -40.533 10.394 1.00 0.00 O ATOM 0 H ASP A 4 34.662 -40.454 15.380 1.00 0.00 H new ATOM 0 HA ASP A 4 34.582 -38.414 13.206 1.00 0.00 H new ATOM 0 HB2 ASP A 4 36.758 -39.838 13.117 1.00 0.00 H new ATOM 0 HB3 ASP A 4 35.722 -41.207 12.767 1.00 0.00 H new ATOM 63 N VAL A 5 32.247 -39.677 13.702 1.00 0.00 N ATOM 64 CA VAL A 5 30.908 -40.300 13.458 1.00 0.00 C ATOM 65 C VAL A 5 30.008 -39.269 12.756 1.00 0.00 C ATOM 66 O VAL A 5 30.218 -38.078 12.878 1.00 0.00 O ATOM 67 CB VAL A 5 30.292 -40.694 14.817 1.00 0.00 C ATOM 68 CG1 VAL A 5 30.726 -42.112 15.199 1.00 0.00 C ATOM 69 CG2 VAL A 5 30.769 -39.714 15.897 1.00 0.00 C ATOM 0 H VAL A 5 32.228 -38.852 14.302 1.00 0.00 H new ATOM 0 HA VAL A 5 31.004 -41.187 12.831 1.00 0.00 H new ATOM 0 HB VAL A 5 29.205 -40.659 14.737 1.00 0.00 H new ATOM 0 HG11 VAL A 5 30.286 -42.381 16.159 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.389 -42.814 14.436 1.00 0.00 H new ATOM 0 HG13 VAL A 5 31.813 -42.152 15.274 1.00 0.00 H new ATOM 0 HG21 VAL A 5 30.335 -39.991 16.857 1.00 0.00 H new ATOM 0 HG22 VAL A 5 31.856 -39.750 15.967 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.456 -38.703 15.635 1.00 0.00 H new ATOM 79 N PRO A 6 29.013 -39.716 12.028 1.00 0.00 N ATOM 80 CA PRO A 6 28.080 -38.799 11.307 1.00 0.00 C ATOM 81 C PRO A 6 27.173 -38.033 12.277 1.00 0.00 C ATOM 82 O PRO A 6 26.101 -37.590 11.917 1.00 0.00 O ATOM 83 CB PRO A 6 27.258 -39.740 10.410 1.00 0.00 C ATOM 84 CG PRO A 6 27.306 -41.066 11.103 1.00 0.00 C ATOM 85 CD PRO A 6 28.664 -41.131 11.807 1.00 0.00 C ATOM 0 HA PRO A 6 28.610 -38.031 10.744 1.00 0.00 H new ATOM 0 HB2 PRO A 6 26.232 -39.387 10.301 1.00 0.00 H new ATOM 0 HB3 PRO A 6 27.682 -39.802 9.408 1.00 0.00 H new ATOM 0 HG2 PRO A 6 26.491 -41.160 11.820 1.00 0.00 H new ATOM 0 HG3 PRO A 6 27.198 -41.883 10.389 1.00 0.00 H new ATOM 0 HD2 PRO A 6 28.602 -41.679 12.747 1.00 0.00 H new ATOM 0 HD3 PRO A 6 29.410 -41.636 11.193 1.00 0.00 H new ATOM 93 N GLU A 7 27.599 -37.866 13.500 1.00 0.00 N ATOM 94 CA GLU A 7 26.762 -37.120 14.477 1.00 0.00 C ATOM 95 C GLU A 7 26.566 -35.694 13.959 1.00 0.00 C ATOM 96 O GLU A 7 25.464 -35.192 13.893 1.00 0.00 O ATOM 97 CB GLU A 7 27.450 -37.096 15.848 1.00 0.00 C ATOM 98 CG GLU A 7 28.863 -36.514 15.721 1.00 0.00 C ATOM 99 CD GLU A 7 29.669 -36.845 16.980 1.00 0.00 C ATOM 100 OE1 GLU A 7 29.147 -37.550 17.829 1.00 0.00 O ATOM 101 OE2 GLU A 7 30.797 -36.389 17.073 1.00 0.00 O ATOM 0 H GLU A 7 28.487 -38.213 13.862 1.00 0.00 H new ATOM 0 HA GLU A 7 25.794 -37.609 14.589 1.00 0.00 H new ATOM 0 HB2 GLU A 7 26.864 -36.499 16.547 1.00 0.00 H new ATOM 0 HB3 GLU A 7 27.500 -38.106 16.256 1.00 0.00 H new ATOM 0 HG2 GLU A 7 29.359 -36.924 14.841 1.00 0.00 H new ATOM 0 HG3 GLU A 7 28.812 -35.434 15.583 1.00 0.00 H new ATOM 108 N GLN A 8 27.630 -35.047 13.574 1.00 0.00 N ATOM 109 CA GLN A 8 27.500 -33.668 13.042 1.00 0.00 C ATOM 110 C GLN A 8 26.457 -33.681 11.926 1.00 0.00 C ATOM 111 O GLN A 8 25.478 -32.963 11.965 1.00 0.00 O ATOM 112 CB GLN A 8 28.847 -33.204 12.493 1.00 0.00 C ATOM 113 CG GLN A 8 29.949 -33.520 13.505 1.00 0.00 C ATOM 114 CD GLN A 8 31.226 -32.769 13.119 1.00 0.00 C ATOM 115 OE1 GLN A 8 32.205 -33.373 12.731 1.00 0.00 O ATOM 116 NE2 GLN A 8 31.258 -31.468 13.210 1.00 0.00 N ATOM 0 H GLN A 8 28.581 -35.415 13.606 1.00 0.00 H new ATOM 0 HA GLN A 8 27.190 -32.984 13.832 1.00 0.00 H new ATOM 0 HB2 GLN A 8 29.056 -33.701 11.546 1.00 0.00 H new ATOM 0 HB3 GLN A 8 28.820 -32.133 12.292 1.00 0.00 H new ATOM 0 HG2 GLN A 8 29.632 -33.230 14.507 1.00 0.00 H new ATOM 0 HG3 GLN A 8 30.139 -34.593 13.529 1.00 0.00 H new ATOM 0 HE21 GLN A 8 30.436 -30.959 13.536 1.00 0.00 H new ATOM 0 HE22 GLN A 8 32.105 -30.960 12.955 1.00 0.00 H new ATOM 125 N VAL A 9 26.659 -34.506 10.934 1.00 0.00 N ATOM 126 CA VAL A 9 25.682 -34.589 9.813 1.00 0.00 C ATOM 127 C VAL A 9 24.264 -34.678 10.380 1.00 0.00 C ATOM 128 O VAL A 9 23.300 -34.334 9.726 1.00 0.00 O ATOM 129 CB VAL A 9 25.978 -35.841 8.987 1.00 0.00 C ATOM 130 CG1 VAL A 9 24.894 -36.026 7.925 1.00 0.00 C ATOM 131 CG2 VAL A 9 27.341 -35.688 8.307 1.00 0.00 C ATOM 0 H VAL A 9 27.463 -35.128 10.853 1.00 0.00 H new ATOM 0 HA VAL A 9 25.765 -33.703 9.184 1.00 0.00 H new ATOM 0 HB VAL A 9 25.991 -36.713 9.641 1.00 0.00 H new ATOM 0 HG11 VAL A 9 25.108 -36.919 7.338 1.00 0.00 H new ATOM 0 HG12 VAL A 9 23.924 -36.135 8.410 1.00 0.00 H new ATOM 0 HG13 VAL A 9 24.876 -35.156 7.268 1.00 0.00 H new ATOM 0 HG21 VAL A 9 27.555 -36.579 7.717 1.00 0.00 H new ATOM 0 HG22 VAL A 9 27.326 -34.815 7.654 1.00 0.00 H new ATOM 0 HG23 VAL A 9 28.114 -35.560 9.065 1.00 0.00 H new ATOM 141 N ASP A 10 24.130 -35.129 11.597 1.00 0.00 N ATOM 142 CA ASP A 10 22.773 -35.225 12.201 1.00 0.00 C ATOM 143 C ASP A 10 22.240 -33.809 12.424 1.00 0.00 C ATOM 144 O ASP A 10 21.253 -33.413 11.838 1.00 0.00 O ATOM 145 CB ASP A 10 22.852 -35.977 13.539 1.00 0.00 C ATOM 146 CG ASP A 10 21.477 -36.551 13.894 1.00 0.00 C ATOM 147 OD1 ASP A 10 20.844 -37.111 13.013 1.00 0.00 O ATOM 148 OD2 ASP A 10 21.081 -36.420 15.040 1.00 0.00 O ATOM 0 H ASP A 10 24.898 -35.433 12.196 1.00 0.00 H new ATOM 0 HA ASP A 10 22.104 -35.771 11.536 1.00 0.00 H new ATOM 0 HB2 ASP A 10 23.585 -36.781 13.472 1.00 0.00 H new ATOM 0 HB3 ASP A 10 23.189 -35.303 14.326 1.00 0.00 H new ATOM 153 N LYS A 11 22.894 -33.052 13.277 1.00 0.00 N ATOM 154 CA LYS A 11 22.442 -31.649 13.558 1.00 0.00 C ATOM 155 C LYS A 11 21.962 -30.991 12.256 1.00 0.00 C ATOM 156 O LYS A 11 20.996 -30.255 12.243 1.00 0.00 O ATOM 157 CB LYS A 11 23.604 -30.829 14.152 1.00 0.00 C ATOM 158 CG LYS A 11 23.838 -31.193 15.646 1.00 0.00 C ATOM 159 CD LYS A 11 24.975 -32.229 15.781 1.00 0.00 C ATOM 160 CE LYS A 11 26.333 -31.520 15.868 1.00 0.00 C ATOM 161 NZ LYS A 11 26.328 -30.566 17.013 1.00 0.00 N ATOM 0 H LYS A 11 23.724 -33.347 13.792 1.00 0.00 H new ATOM 0 HA LYS A 11 21.622 -31.677 14.275 1.00 0.00 H new ATOM 0 HB2 LYS A 11 24.514 -31.016 13.582 1.00 0.00 H new ATOM 0 HB3 LYS A 11 23.385 -29.765 14.063 1.00 0.00 H new ATOM 0 HG2 LYS A 11 24.089 -30.294 16.210 1.00 0.00 H new ATOM 0 HG3 LYS A 11 22.920 -31.594 16.076 1.00 0.00 H new ATOM 0 HD2 LYS A 11 24.817 -32.838 16.671 1.00 0.00 H new ATOM 0 HD3 LYS A 11 24.964 -32.905 14.926 1.00 0.00 H new ATOM 0 HE2 LYS A 11 27.129 -32.253 15.996 1.00 0.00 H new ATOM 0 HE3 LYS A 11 26.536 -30.987 14.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 27.285 -30.501 17.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 26.027 -29.627 16.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 25.668 -30.903 17.743 1.00 0.00 H new ATOM 175 N LEU A 12 22.613 -31.269 11.159 1.00 0.00 N ATOM 176 CA LEU A 12 22.172 -30.679 9.869 1.00 0.00 C ATOM 177 C LEU A 12 20.778 -31.219 9.544 1.00 0.00 C ATOM 178 O LEU A 12 19.854 -30.468 9.302 1.00 0.00 O ATOM 179 CB LEU A 12 23.172 -31.057 8.759 1.00 0.00 C ATOM 180 CG LEU A 12 24.288 -29.994 8.645 1.00 0.00 C ATOM 181 CD1 LEU A 12 23.760 -28.721 7.956 1.00 0.00 C ATOM 182 CD2 LEU A 12 24.830 -29.637 10.044 1.00 0.00 C ATOM 0 H LEU A 12 23.429 -31.878 11.103 1.00 0.00 H new ATOM 0 HA LEU A 12 22.134 -29.592 9.939 1.00 0.00 H new ATOM 0 HB2 LEU A 12 23.611 -32.031 8.974 1.00 0.00 H new ATOM 0 HB3 LEU A 12 22.649 -31.147 7.807 1.00 0.00 H new ATOM 0 HG LEU A 12 25.094 -30.412 8.042 1.00 0.00 H new ATOM 0 HD11 LEU A 12 24.562 -27.986 7.886 1.00 0.00 H new ATOM 0 HD12 LEU A 12 23.407 -28.969 6.955 1.00 0.00 H new ATOM 0 HD13 LEU A 12 22.937 -28.306 8.539 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.616 -28.887 9.949 1.00 0.00 H new ATOM 0 HD22 LEU A 12 24.021 -29.240 10.657 1.00 0.00 H new ATOM 0 HD23 LEU A 12 25.237 -30.531 10.516 1.00 0.00 H new ATOM 194 N ILE A 13 20.610 -32.512 9.556 1.00 0.00 N ATOM 195 CA ILE A 13 19.267 -33.079 9.271 1.00 0.00 C ATOM 196 C ILE A 13 18.269 -32.447 10.240 1.00 0.00 C ATOM 197 O ILE A 13 17.238 -31.941 9.845 1.00 0.00 O ATOM 198 CB ILE A 13 19.295 -34.596 9.467 1.00 0.00 C ATOM 199 CG1 ILE A 13 20.182 -35.229 8.391 1.00 0.00 C ATOM 200 CG2 ILE A 13 17.876 -35.154 9.349 1.00 0.00 C ATOM 201 CD1 ILE A 13 20.436 -36.696 8.735 1.00 0.00 C ATOM 0 H ILE A 13 21.342 -33.196 9.750 1.00 0.00 H new ATOM 0 HA ILE A 13 18.977 -32.867 8.242 1.00 0.00 H new ATOM 0 HB ILE A 13 19.694 -34.828 10.454 1.00 0.00 H new ATOM 0 HG12 ILE A 13 19.700 -35.152 7.416 1.00 0.00 H new ATOM 0 HG13 ILE A 13 21.128 -34.692 8.323 1.00 0.00 H new ATOM 0 HG21 ILE A 13 17.897 -36.235 9.489 1.00 0.00 H new ATOM 0 HG22 ILE A 13 17.243 -34.702 10.112 1.00 0.00 H new ATOM 0 HG23 ILE A 13 17.475 -34.924 8.362 1.00 0.00 H new ATOM 0 HD11 ILE A 13 21.067 -37.145 7.968 1.00 0.00 H new ATOM 0 HD12 ILE A 13 20.936 -36.762 9.701 1.00 0.00 H new ATOM 0 HD13 ILE A 13 19.486 -37.229 8.781 1.00 0.00 H new ATOM 213 N GLN A 14 18.582 -32.460 11.509 1.00 0.00 N ATOM 214 CA GLN A 14 17.671 -31.849 12.511 1.00 0.00 C ATOM 215 C GLN A 14 17.501 -30.359 12.188 1.00 0.00 C ATOM 216 O GLN A 14 16.399 -29.851 12.105 1.00 0.00 O ATOM 217 CB GLN A 14 18.278 -32.009 13.906 1.00 0.00 C ATOM 218 CG GLN A 14 18.119 -33.458 14.372 1.00 0.00 C ATOM 219 CD GLN A 14 18.703 -33.613 15.777 1.00 0.00 C ATOM 220 OE1 GLN A 14 19.767 -33.104 16.065 1.00 0.00 O ATOM 221 NE2 GLN A 14 18.046 -34.302 16.671 1.00 0.00 N ATOM 0 H GLN A 14 19.434 -32.870 11.892 1.00 0.00 H new ATOM 0 HA GLN A 14 16.699 -32.341 12.482 1.00 0.00 H new ATOM 0 HB2 GLN A 14 19.333 -31.736 13.888 1.00 0.00 H new ATOM 0 HB3 GLN A 14 17.786 -31.335 14.607 1.00 0.00 H new ATOM 0 HG2 GLN A 14 17.065 -33.737 14.373 1.00 0.00 H new ATOM 0 HG3 GLN A 14 18.626 -34.131 13.680 1.00 0.00 H new ATOM 0 HE21 GLN A 14 17.152 -34.730 16.429 1.00 0.00 H new ATOM 0 HE22 GLN A 14 18.427 -34.412 17.611 1.00 0.00 H new ATOM 230 N GLN A 15 18.588 -29.658 12.000 1.00 0.00 N ATOM 231 CA GLN A 15 18.502 -28.203 11.677 1.00 0.00 C ATOM 232 C GLN A 15 17.718 -28.013 10.377 1.00 0.00 C ATOM 233 O GLN A 15 16.700 -27.351 10.348 1.00 0.00 O ATOM 234 CB GLN A 15 19.912 -27.629 11.511 1.00 0.00 C ATOM 235 CG GLN A 15 20.570 -27.467 12.884 1.00 0.00 C ATOM 236 CD GLN A 15 19.986 -26.244 13.593 1.00 0.00 C ATOM 237 OE1 GLN A 15 19.231 -26.376 14.535 1.00 0.00 O ATOM 238 NE2 GLN A 15 20.307 -25.049 13.178 1.00 0.00 N ATOM 0 H GLN A 15 19.535 -30.032 12.056 1.00 0.00 H new ATOM 0 HA GLN A 15 17.992 -27.683 12.488 1.00 0.00 H new ATOM 0 HB2 GLN A 15 20.512 -28.290 10.885 1.00 0.00 H new ATOM 0 HB3 GLN A 15 19.865 -26.665 11.004 1.00 0.00 H new ATOM 0 HG2 GLN A 15 20.405 -28.361 13.485 1.00 0.00 H new ATOM 0 HG3 GLN A 15 21.648 -27.354 12.770 1.00 0.00 H new ATOM 0 HE21 GLN A 15 20.941 -24.937 12.387 1.00 0.00 H new ATOM 0 HE22 GLN A 15 19.924 -24.227 13.645 1.00 0.00 H new ATOM 247 N ALA A 16 18.173 -28.589 9.298 1.00 0.00 N ATOM 248 CA ALA A 16 17.433 -28.434 8.015 1.00 0.00 C ATOM 249 C ALA A 16 16.002 -28.933 8.211 1.00 0.00 C ATOM 250 O ALA A 16 15.070 -28.432 7.617 1.00 0.00 O ATOM 251 CB ALA A 16 18.118 -29.249 6.921 1.00 0.00 C ATOM 0 H ALA A 16 19.019 -29.156 9.249 1.00 0.00 H new ATOM 0 HA ALA A 16 17.423 -27.385 7.718 1.00 0.00 H new ATOM 0 HB1 ALA A 16 17.573 -29.132 5.985 1.00 0.00 H new ATOM 0 HB2 ALA A 16 19.141 -28.896 6.791 1.00 0.00 H new ATOM 0 HB3 ALA A 16 18.130 -30.301 7.205 1.00 0.00 H new ATOM 257 N THR A 17 15.821 -29.895 9.073 1.00 0.00 N ATOM 258 CA THR A 17 14.447 -30.396 9.340 1.00 0.00 C ATOM 259 C THR A 17 13.732 -29.331 10.160 1.00 0.00 C ATOM 260 O THR A 17 12.644 -28.902 9.837 1.00 0.00 O ATOM 261 CB THR A 17 14.504 -31.704 10.136 1.00 0.00 C ATOM 262 OG1 THR A 17 14.938 -32.757 9.287 1.00 0.00 O ATOM 263 CG2 THR A 17 13.117 -32.037 10.700 1.00 0.00 C ATOM 0 H THR A 17 16.563 -30.353 9.602 1.00 0.00 H new ATOM 0 HA THR A 17 13.923 -30.591 8.404 1.00 0.00 H new ATOM 0 HB THR A 17 15.205 -31.589 10.962 1.00 0.00 H new ATOM 0 HG1 THR A 17 15.884 -32.629 9.065 1.00 0.00 H new ATOM 0 HG21 THR A 17 13.168 -32.968 11.264 1.00 0.00 H new ATOM 0 HG22 THR A 17 12.789 -31.232 11.357 1.00 0.00 H new ATOM 0 HG23 THR A 17 12.408 -32.148 9.880 1.00 0.00 H new ATOM 271 N SER A 18 14.349 -28.902 11.227 1.00 0.00 N ATOM 272 CA SER A 18 13.726 -27.859 12.081 1.00 0.00 C ATOM 273 C SER A 18 13.179 -26.739 11.184 1.00 0.00 C ATOM 274 O SER A 18 11.985 -26.602 11.017 1.00 0.00 O ATOM 275 CB SER A 18 14.776 -27.309 13.050 1.00 0.00 C ATOM 276 OG SER A 18 15.735 -26.549 12.333 1.00 0.00 O ATOM 0 H SER A 18 15.261 -29.232 11.543 1.00 0.00 H new ATOM 0 HA SER A 18 12.904 -28.283 12.658 1.00 0.00 H new ATOM 0 HB2 SER A 18 14.297 -26.688 13.807 1.00 0.00 H new ATOM 0 HB3 SER A 18 15.266 -28.129 13.575 1.00 0.00 H new ATOM 0 HG SER A 18 15.996 -27.033 11.522 1.00 0.00 H new ATOM 282 N ILE A 19 14.028 -25.943 10.595 1.00 0.00 N ATOM 283 CA ILE A 19 13.553 -24.846 9.712 1.00 0.00 C ATOM 284 C ILE A 19 12.426 -25.318 8.775 1.00 0.00 C ATOM 285 O ILE A 19 11.426 -24.648 8.632 1.00 0.00 O ATOM 286 CB ILE A 19 14.780 -24.354 8.897 1.00 0.00 C ATOM 287 CG1 ILE A 19 15.537 -23.285 9.698 1.00 0.00 C ATOM 288 CG2 ILE A 19 14.351 -23.757 7.546 1.00 0.00 C ATOM 289 CD1 ILE A 19 16.161 -23.898 10.950 1.00 0.00 C ATOM 0 H ILE A 19 15.041 -26.008 10.690 1.00 0.00 H new ATOM 0 HA ILE A 19 13.133 -24.038 10.311 1.00 0.00 H new ATOM 0 HB ILE A 19 15.424 -25.213 8.709 1.00 0.00 H new ATOM 0 HG12 ILE A 19 16.315 -22.840 9.077 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.855 -22.482 9.980 1.00 0.00 H new ATOM 0 HG21 ILE A 19 15.233 -23.422 7.000 1.00 0.00 H new ATOM 0 HG22 ILE A 19 13.829 -24.515 6.962 1.00 0.00 H new ATOM 0 HG23 ILE A 19 13.687 -22.910 7.717 1.00 0.00 H new ATOM 0 HD11 ILE A 19 16.694 -23.127 11.506 1.00 0.00 H new ATOM 0 HD12 ILE A 19 15.377 -24.321 11.577 1.00 0.00 H new ATOM 0 HD13 ILE A 19 16.859 -24.684 10.661 1.00 0.00 H new ATOM 301 N GLU A 20 12.573 -26.436 8.124 1.00 0.00 N ATOM 302 CA GLU A 20 11.493 -26.881 7.191 1.00 0.00 C ATOM 303 C GLU A 20 10.121 -26.775 7.871 1.00 0.00 C ATOM 304 O GLU A 20 9.220 -26.140 7.363 1.00 0.00 O ATOM 305 CB GLU A 20 11.748 -28.329 6.746 1.00 0.00 C ATOM 306 CG GLU A 20 12.829 -28.355 5.656 1.00 0.00 C ATOM 307 CD GLU A 20 12.223 -27.916 4.320 1.00 0.00 C ATOM 308 OE1 GLU A 20 11.562 -28.730 3.695 1.00 0.00 O ATOM 309 OE2 GLU A 20 12.432 -26.775 3.943 1.00 0.00 O ATOM 0 H GLU A 20 13.380 -27.056 8.193 1.00 0.00 H new ATOM 0 HA GLU A 20 11.499 -26.232 6.315 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.063 -28.931 7.598 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.826 -28.771 6.368 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.651 -27.693 5.929 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.245 -29.359 5.566 1.00 0.00 H new ATOM 316 N ARG A 21 9.939 -27.409 8.997 1.00 0.00 N ATOM 317 CA ARG A 21 8.612 -27.361 9.676 1.00 0.00 C ATOM 318 C ARG A 21 8.465 -26.076 10.504 1.00 0.00 C ATOM 319 O ARG A 21 7.367 -25.637 10.786 1.00 0.00 O ATOM 320 CB ARG A 21 8.472 -28.571 10.610 1.00 0.00 C ATOM 321 CG ARG A 21 8.758 -29.881 9.851 1.00 0.00 C ATOM 322 CD ARG A 21 7.502 -30.348 9.109 1.00 0.00 C ATOM 323 NE ARG A 21 6.450 -30.703 10.100 1.00 0.00 N ATOM 324 CZ ARG A 21 6.648 -31.683 10.939 1.00 0.00 C ATOM 325 NH1 ARG A 21 7.328 -32.734 10.567 1.00 0.00 N ATOM 326 NH2 ARG A 21 6.169 -31.612 12.152 1.00 0.00 N ATOM 0 H ARG A 21 10.652 -27.959 9.477 1.00 0.00 H new ATOM 0 HA ARG A 21 7.836 -27.379 8.911 1.00 0.00 H new ATOM 0 HB2 ARG A 21 9.163 -28.472 11.448 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.466 -28.599 11.028 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.572 -29.729 9.142 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.084 -30.651 10.550 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.143 -29.561 8.446 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.734 -31.210 8.483 1.00 0.00 H new ATOM 0 HE ARG A 21 5.574 -30.180 10.124 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.705 -32.789 9.621 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.483 -33.500 11.223 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.640 -30.790 12.444 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.324 -32.378 12.807 1.00 0.00 H new ATOM 340 N LEU A 22 9.550 -25.479 10.916 1.00 0.00 N ATOM 341 CA LEU A 22 9.455 -24.239 11.751 1.00 0.00 C ATOM 342 C LEU A 22 9.266 -22.998 10.859 1.00 0.00 C ATOM 343 O LEU A 22 8.695 -22.013 11.272 1.00 0.00 O ATOM 344 CB LEU A 22 10.757 -24.091 12.564 1.00 0.00 C ATOM 345 CG LEU A 22 10.658 -24.828 13.911 1.00 0.00 C ATOM 346 CD1 LEU A 22 10.337 -26.308 13.695 1.00 0.00 C ATOM 347 CD2 LEU A 22 12.001 -24.718 14.633 1.00 0.00 C ATOM 0 H LEU A 22 10.499 -25.793 10.713 1.00 0.00 H new ATOM 0 HA LEU A 22 8.596 -24.320 12.418 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.594 -24.488 11.990 1.00 0.00 H new ATOM 0 HB3 LEU A 22 10.962 -23.035 12.738 1.00 0.00 H new ATOM 0 HG LEU A 22 9.862 -24.376 14.502 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.271 -26.811 14.660 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.385 -26.401 13.172 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.125 -26.768 13.099 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.943 -25.237 15.590 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.781 -25.171 14.021 1.00 0.00 H new ATOM 0 HD23 LEU A 22 12.237 -23.668 14.804 1.00 0.00 H new ATOM 359 N CYS A 23 9.756 -23.037 9.651 1.00 0.00 N ATOM 360 CA CYS A 23 9.624 -21.852 8.749 1.00 0.00 C ATOM 361 C CYS A 23 8.398 -21.991 7.842 1.00 0.00 C ATOM 362 O CYS A 23 8.005 -21.047 7.185 1.00 0.00 O ATOM 363 CB CYS A 23 10.881 -21.721 7.900 1.00 0.00 C ATOM 364 SG CYS A 23 12.253 -21.161 8.942 1.00 0.00 S ATOM 0 H CYS A 23 10.243 -23.837 9.247 1.00 0.00 H new ATOM 0 HA CYS A 23 9.497 -20.959 9.361 1.00 0.00 H new ATOM 0 HB2 CYS A 23 11.125 -22.679 7.442 1.00 0.00 H new ATOM 0 HB3 CYS A 23 10.713 -21.013 7.088 1.00 0.00 H new ATOM 369 N GLN A 24 7.778 -23.140 7.794 1.00 0.00 N ATOM 370 CA GLN A 24 6.577 -23.293 6.924 1.00 0.00 C ATOM 371 C GLN A 24 5.360 -22.715 7.654 1.00 0.00 C ATOM 372 O GLN A 24 4.342 -22.430 7.055 1.00 0.00 O ATOM 373 CB GLN A 24 6.341 -24.787 6.641 1.00 0.00 C ATOM 374 CG GLN A 24 7.196 -25.242 5.452 1.00 0.00 C ATOM 375 CD GLN A 24 7.123 -26.766 5.325 1.00 0.00 C ATOM 376 OE1 GLN A 24 7.859 -27.479 5.980 1.00 0.00 O ATOM 377 NE2 GLN A 24 6.259 -27.302 4.508 1.00 0.00 N ATOM 0 H GLN A 24 8.049 -23.973 8.316 1.00 0.00 H new ATOM 0 HA GLN A 24 6.730 -22.765 5.983 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.590 -25.376 7.524 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.286 -24.962 6.428 1.00 0.00 H new ATOM 0 HG2 GLN A 24 6.841 -24.772 4.534 1.00 0.00 H new ATOM 0 HG3 GLN A 24 8.230 -24.927 5.592 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.640 -26.707 3.957 1.00 0.00 H new ATOM 0 HE22 GLN A 24 6.202 -28.317 4.420 1.00 0.00 H new ATOM 386 N HIS A 25 5.457 -22.554 8.944 1.00 0.00 N ATOM 387 CA HIS A 25 4.307 -22.012 9.718 1.00 0.00 C ATOM 388 C HIS A 25 4.259 -20.491 9.597 1.00 0.00 C ATOM 389 O HIS A 25 3.206 -19.904 9.442 1.00 0.00 O ATOM 390 CB HIS A 25 4.467 -22.387 11.193 1.00 0.00 C ATOM 391 CG HIS A 25 4.467 -23.883 11.336 1.00 0.00 C ATOM 392 ND1 HIS A 25 3.712 -24.705 10.515 1.00 0.00 N ATOM 393 CD2 HIS A 25 5.125 -24.721 12.202 1.00 0.00 C ATOM 394 CE1 HIS A 25 3.930 -25.975 10.901 1.00 0.00 C ATOM 395 NE2 HIS A 25 4.785 -26.041 11.926 1.00 0.00 N ATOM 0 H HIS A 25 6.285 -22.775 9.497 1.00 0.00 H new ATOM 0 HA HIS A 25 3.384 -22.434 9.320 1.00 0.00 H new ATOM 0 HB2 HIS A 25 5.397 -21.974 11.585 1.00 0.00 H new ATOM 0 HB3 HIS A 25 3.655 -21.956 11.778 1.00 0.00 H new ATOM 0 HD2 HIS A 25 5.804 -24.403 12.980 1.00 0.00 H new ATOM 0 HE1 HIS A 25 3.470 -26.836 10.439 1.00 0.00 H new ATOM 0 HE2 HIS A 25 5.117 -26.879 12.403 1.00 0.00 H new ATOM 403 N TYR A 26 5.386 -19.844 9.694 1.00 0.00 N ATOM 404 CA TYR A 26 5.411 -18.358 9.618 1.00 0.00 C ATOM 405 C TYR A 26 5.759 -17.884 8.203 1.00 0.00 C ATOM 406 O TYR A 26 5.522 -18.551 7.216 1.00 0.00 O ATOM 407 CB TYR A 26 6.480 -17.841 10.590 1.00 0.00 C ATOM 408 CG TYR A 26 6.503 -18.698 11.835 1.00 0.00 C ATOM 409 CD1 TYR A 26 5.480 -18.579 12.783 1.00 0.00 C ATOM 410 CD2 TYR A 26 7.555 -19.602 12.049 1.00 0.00 C ATOM 411 CE1 TYR A 26 5.504 -19.363 13.942 1.00 0.00 C ATOM 412 CE2 TYR A 26 7.578 -20.384 13.212 1.00 0.00 C ATOM 413 CZ TYR A 26 6.553 -20.265 14.157 1.00 0.00 C ATOM 414 OH TYR A 26 6.577 -21.035 15.302 1.00 0.00 O ATOM 0 H TYR A 26 6.297 -20.284 9.824 1.00 0.00 H new ATOM 0 HA TYR A 26 4.424 -17.975 9.878 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.458 -17.856 10.110 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.271 -16.805 10.855 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.672 -17.882 12.620 1.00 0.00 H new ATOM 0 HD2 TYR A 26 8.345 -19.695 11.319 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.713 -19.272 14.671 1.00 0.00 H new ATOM 0 HE2 TYR A 26 8.388 -21.079 13.379 1.00 0.00 H new ATOM 0 HH TYR A 26 7.372 -21.608 15.294 1.00 0.00 H new ATOM 424 N ILE A 27 6.341 -16.720 8.135 1.00 0.00 N ATOM 425 CA ILE A 27 6.752 -16.138 6.825 1.00 0.00 C ATOM 426 C ILE A 27 8.209 -16.518 6.561 1.00 0.00 C ATOM 427 O ILE A 27 8.954 -16.786 7.481 1.00 0.00 O ATOM 428 CB ILE A 27 6.606 -14.612 6.865 1.00 0.00 C ATOM 429 CG1 ILE A 27 5.117 -14.239 6.906 1.00 0.00 C ATOM 430 CG2 ILE A 27 7.238 -14.001 5.611 1.00 0.00 C ATOM 431 CD1 ILE A 27 4.480 -14.717 8.218 1.00 0.00 C ATOM 0 H ILE A 27 6.553 -16.137 8.945 1.00 0.00 H new ATOM 0 HA ILE A 27 6.118 -16.526 6.028 1.00 0.00 H new ATOM 0 HB ILE A 27 7.107 -14.228 7.754 1.00 0.00 H new ATOM 0 HG12 ILE A 27 5.004 -13.159 6.812 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.600 -14.689 6.058 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.133 -12.917 5.642 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.296 -14.262 5.572 1.00 0.00 H new ATOM 0 HG23 ILE A 27 6.736 -14.389 4.725 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.425 -14.444 8.231 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.576 -15.800 8.296 1.00 0.00 H new ATOM 0 HD13 ILE A 27 4.986 -14.246 9.061 1.00 0.00 H new ATOM 443 N GLY A 28 8.607 -16.568 5.309 1.00 0.00 N ATOM 444 CA GLY A 28 10.015 -16.955 4.958 1.00 0.00 C ATOM 445 C GLY A 28 10.998 -16.451 6.019 1.00 0.00 C ATOM 446 O GLY A 28 11.984 -17.092 6.322 1.00 0.00 O ATOM 0 H GLY A 28 8.012 -16.355 4.509 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.089 -18.039 4.873 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.279 -16.541 3.985 1.00 0.00 H new ATOM 450 N TRP A 29 10.729 -15.311 6.593 1.00 0.00 N ATOM 451 CA TRP A 29 11.636 -14.768 7.642 1.00 0.00 C ATOM 452 C TRP A 29 11.301 -15.413 8.990 1.00 0.00 C ATOM 453 O TRP A 29 10.414 -14.970 9.694 1.00 0.00 O ATOM 454 CB TRP A 29 11.440 -13.254 7.736 1.00 0.00 C ATOM 455 CG TRP A 29 12.497 -12.661 8.611 1.00 0.00 C ATOM 456 CD1 TRP A 29 13.827 -12.722 8.375 1.00 0.00 C ATOM 457 CD2 TRP A 29 12.334 -11.918 9.852 1.00 0.00 C ATOM 458 NE1 TRP A 29 14.492 -12.065 9.395 1.00 0.00 N ATOM 459 CE2 TRP A 29 13.614 -11.552 10.331 1.00 0.00 C ATOM 460 CE3 TRP A 29 11.209 -11.531 10.601 1.00 0.00 C ATOM 461 CZ2 TRP A 29 13.773 -10.828 11.513 1.00 0.00 C ATOM 462 CZ3 TRP A 29 11.364 -10.802 11.791 1.00 0.00 C ATOM 463 CH2 TRP A 29 12.644 -10.451 12.245 1.00 0.00 C ATOM 0 H TRP A 29 9.918 -14.731 6.380 1.00 0.00 H new ATOM 0 HA TRP A 29 12.672 -14.989 7.385 1.00 0.00 H new ATOM 0 HB2 TRP A 29 11.486 -12.810 6.742 1.00 0.00 H new ATOM 0 HB3 TRP A 29 10.453 -13.030 8.140 1.00 0.00 H new ATOM 0 HD1 TRP A 29 14.294 -13.204 7.529 1.00 0.00 H new ATOM 0 HE1 TRP A 29 15.506 -11.971 9.450 1.00 0.00 H new ATOM 0 HE3 TRP A 29 10.219 -11.796 10.259 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 14.761 -10.561 11.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 10.493 -10.510 12.360 1.00 0.00 H new ATOM 0 HH2 TRP A 29 12.757 -9.889 13.160 1.00 0.00 H new ATOM 474 N CYS A 30 12.017 -16.452 9.358 1.00 0.00 N ATOM 475 CA CYS A 30 11.767 -17.139 10.670 1.00 0.00 C ATOM 476 C CYS A 30 13.014 -16.955 11.563 1.00 0.00 C ATOM 477 O CYS A 30 14.127 -16.994 11.079 1.00 0.00 O ATOM 478 CB CYS A 30 11.496 -18.642 10.428 1.00 0.00 C ATOM 479 SG CYS A 30 12.190 -19.144 8.832 1.00 0.00 S ATOM 0 H CYS A 30 12.770 -16.857 8.801 1.00 0.00 H new ATOM 0 HA CYS A 30 10.896 -16.708 11.163 1.00 0.00 H new ATOM 0 HB2 CYS A 30 11.939 -19.234 11.229 1.00 0.00 H new ATOM 0 HB3 CYS A 30 10.423 -18.834 10.445 1.00 0.00 H new ATOM 484 N PRO A 31 12.839 -16.741 12.853 1.00 0.00 N ATOM 485 CA PRO A 31 13.988 -16.534 13.788 1.00 0.00 C ATOM 486 C PRO A 31 14.804 -17.818 14.013 1.00 0.00 C ATOM 487 O PRO A 31 15.545 -17.926 14.970 1.00 0.00 O ATOM 488 CB PRO A 31 13.318 -16.078 15.097 1.00 0.00 C ATOM 489 CG PRO A 31 11.935 -16.644 15.041 1.00 0.00 C ATOM 490 CD PRO A 31 11.545 -16.671 13.562 1.00 0.00 C ATOM 0 HA PRO A 31 14.704 -15.813 13.393 1.00 0.00 H new ATOM 0 HB2 PRO A 31 13.861 -16.447 15.967 1.00 0.00 H new ATOM 0 HB3 PRO A 31 13.297 -14.991 15.172 1.00 0.00 H new ATOM 0 HG2 PRO A 31 11.907 -17.646 15.469 1.00 0.00 H new ATOM 0 HG3 PRO A 31 11.240 -16.032 15.616 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.916 -17.531 13.331 1.00 0.00 H new ATOM 0 HD3 PRO A 31 10.983 -15.780 13.281 1.00 0.00 H new ATOM 498 N PHE A 32 14.677 -18.786 13.139 1.00 0.00 N ATOM 499 CA PHE A 32 15.447 -20.064 13.298 1.00 0.00 C ATOM 500 C PHE A 32 16.590 -20.105 12.278 1.00 0.00 C ATOM 501 O PHE A 32 17.398 -21.012 12.271 1.00 0.00 O ATOM 502 CB PHE A 32 14.512 -21.251 13.067 1.00 0.00 C ATOM 503 CG PHE A 32 13.541 -21.355 14.222 1.00 0.00 C ATOM 504 CD1 PHE A 32 14.008 -21.678 15.501 1.00 0.00 C ATOM 505 CD2 PHE A 32 12.172 -21.131 14.015 1.00 0.00 C ATOM 506 CE1 PHE A 32 13.111 -21.775 16.573 1.00 0.00 C ATOM 507 CE2 PHE A 32 11.276 -21.230 15.086 1.00 0.00 C ATOM 508 CZ PHE A 32 11.745 -21.551 16.365 1.00 0.00 C ATOM 0 H PHE A 32 14.072 -18.748 12.319 1.00 0.00 H new ATOM 0 HA PHE A 32 15.861 -20.117 14.305 1.00 0.00 H new ATOM 0 HB2 PHE A 32 13.969 -21.124 12.131 1.00 0.00 H new ATOM 0 HB3 PHE A 32 15.089 -22.171 12.978 1.00 0.00 H new ATOM 0 HD1 PHE A 32 15.062 -21.853 15.662 1.00 0.00 H new ATOM 0 HD2 PHE A 32 11.809 -20.882 13.029 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.474 -22.023 17.560 1.00 0.00 H new ATOM 0 HE2 PHE A 32 10.222 -21.059 14.925 1.00 0.00 H new ATOM 0 HZ PHE A 32 11.053 -21.626 17.191 1.00 0.00 H new ATOM 518 N TRP A 33 16.664 -19.124 11.421 1.00 0.00 N ATOM 519 CA TRP A 33 17.754 -19.094 10.402 1.00 0.00 C ATOM 520 C TRP A 33 19.035 -18.568 11.059 1.00 0.00 C ATOM 521 O TRP A 33 19.345 -17.404 10.861 1.00 0.00 O ATOM 522 CB TRP A 33 17.338 -18.163 9.250 1.00 0.00 C ATOM 523 CG TRP A 33 16.464 -18.901 8.282 1.00 0.00 C ATOM 524 CD1 TRP A 33 15.739 -19.996 8.584 1.00 0.00 C ATOM 525 CD2 TRP A 33 16.209 -18.615 6.877 1.00 0.00 C ATOM 526 NE1 TRP A 33 15.067 -20.418 7.454 1.00 0.00 N ATOM 527 CE2 TRP A 33 15.321 -19.597 6.372 1.00 0.00 C ATOM 528 CE3 TRP A 33 16.661 -17.616 5.998 1.00 0.00 C ATOM 529 CZ2 TRP A 33 14.896 -19.585 5.044 1.00 0.00 C ATOM 530 CZ3 TRP A 33 16.235 -17.600 4.660 1.00 0.00 C ATOM 531 CH2 TRP A 33 15.355 -18.582 4.184 1.00 0.00 C ATOM 532 OXT TRP A 33 19.683 -19.339 11.748 1.00 0.00 O ATOM 0 H TRP A 33 16.015 -18.338 11.382 1.00 0.00 H new ATOM 0 HA TRP A 33 17.932 -20.096 10.011 1.00 0.00 H new ATOM 0 HB2 TRP A 33 16.806 -17.298 9.645 1.00 0.00 H new ATOM 0 HB3 TRP A 33 18.224 -17.786 8.738 1.00 0.00 H new ATOM 0 HD1 TRP A 33 15.691 -20.468 9.554 1.00 0.00 H new ATOM 0 HE1 TRP A 33 14.458 -21.235 7.422 1.00 0.00 H new ATOM 0 HE3 TRP A 33 17.340 -16.856 6.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 14.218 -20.344 4.682 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 16.587 -16.827 3.994 1.00 0.00 H new ATOM 0 HH2 TRP A 33 15.032 -18.564 3.154 1.00 0.00 H new TER 543 TRP A 33