USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 562 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0154 X(o=-0.015,f=-0.019) USER MOD Single : A 28 SER OG : rot -13:sc= -0.359 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -1.84! C(o=-1.8!,f=-2!) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -112:sc= -1.19 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -69:sc= 0.585 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.027 -14.634 23.892 1.00 0.00 N ATOM 2 CA MET A 1 -4.292 -14.152 24.420 1.00 0.00 C ATOM 3 C MET A 1 -5.418 -15.148 24.140 1.00 0.00 C ATOM 4 O MET A 1 -6.032 -15.675 25.067 1.00 0.00 O ATOM 5 CB MET A 1 -4.631 -12.804 23.781 1.00 0.00 C ATOM 6 CG MET A 1 -5.955 -12.260 24.319 1.00 0.00 C ATOM 7 SD MET A 1 -6.255 -10.626 23.665 1.00 0.00 S ATOM 8 CE MET A 1 -7.930 -10.370 24.228 1.00 0.00 C ATOM 0 H1 MET A 1 -2.279 -13.940 24.095 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.788 -15.542 24.339 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.108 -14.765 22.863 1.00 0.00 H new ATOM 0 HA MET A 1 -4.194 -14.038 25.500 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.832 -12.091 23.983 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.693 -12.916 22.699 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.771 -12.927 24.042 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.928 -12.225 25.408 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.277 -9.389 23.904 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.577 -11.141 23.808 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.960 -10.424 25.316 1.00 0.00 H new ATOM 18 N SER A 2 -5.657 -15.377 22.857 1.00 0.00 N ATOM 19 CA SER A 2 -6.699 -16.301 22.442 1.00 0.00 C ATOM 20 C SER A 2 -6.485 -16.711 20.984 1.00 0.00 C ATOM 21 O SER A 2 -5.622 -16.163 20.301 1.00 0.00 O ATOM 22 CB SER A 2 -8.087 -15.682 22.621 1.00 0.00 C ATOM 23 OG SER A 2 -9.092 -16.673 22.821 1.00 0.00 O ATOM 0 H SER A 2 -5.147 -14.938 22.091 1.00 0.00 H new ATOM 0 HA SER A 2 -6.642 -17.187 23.074 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.074 -15.002 23.473 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.335 -15.087 21.742 1.00 0.00 H new ATOM 0 HG SER A 2 -9.963 -16.238 22.933 1.00 0.00 H new ATOM 29 N LEU A 3 -7.286 -17.673 20.550 1.00 0.00 N ATOM 30 CA LEU A 3 -7.195 -18.164 19.185 1.00 0.00 C ATOM 31 C LEU A 3 -8.120 -17.337 18.288 1.00 0.00 C ATOM 32 O LEU A 3 -7.830 -17.137 17.110 1.00 0.00 O ATOM 33 CB LEU A 3 -7.474 -19.667 19.136 1.00 0.00 C ATOM 34 CG LEU A 3 -6.254 -20.570 18.944 1.00 0.00 C ATOM 35 CD1 LEU A 3 -5.728 -20.483 17.510 1.00 0.00 C ATOM 36 CD2 LEU A 3 -5.168 -20.250 19.974 1.00 0.00 C ATOM 0 H LEU A 3 -8.001 -18.126 21.119 1.00 0.00 H new ATOM 0 HA LEU A 3 -6.182 -18.039 18.802 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.972 -19.954 20.062 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.175 -19.860 18.324 1.00 0.00 H new ATOM 0 HG LEU A 3 -6.562 -21.602 19.111 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.861 -21.134 17.400 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.508 -20.798 16.817 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.440 -19.455 17.290 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -4.312 -20.906 19.816 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -4.855 -19.212 19.862 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.562 -20.404 20.978 1.00 0.00 H new ATOM 48 N GLY A 4 -9.213 -16.880 18.881 1.00 0.00 N ATOM 49 CA GLY A 4 -10.181 -16.080 18.151 1.00 0.00 C ATOM 50 C GLY A 4 -9.581 -14.733 17.740 1.00 0.00 C ATOM 51 O GLY A 4 -9.698 -14.324 16.586 1.00 0.00 O ATOM 0 H GLY A 4 -9.450 -17.049 19.859 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.510 -16.621 17.264 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.063 -15.916 18.770 1.00 0.00 H new ATOM 55 N VAL A 5 -8.953 -14.082 18.707 1.00 0.00 N ATOM 56 CA VAL A 5 -8.335 -12.790 18.461 1.00 0.00 C ATOM 57 C VAL A 5 -7.196 -12.958 17.453 1.00 0.00 C ATOM 58 O VAL A 5 -6.832 -12.011 16.758 1.00 0.00 O ATOM 59 CB VAL A 5 -7.877 -12.169 19.782 1.00 0.00 C ATOM 60 CG1 VAL A 5 -6.450 -12.600 20.126 1.00 0.00 C ATOM 61 CG2 VAL A 5 -7.993 -10.644 19.740 1.00 0.00 C ATOM 0 H VAL A 5 -8.858 -14.425 19.663 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.056 -12.099 18.025 1.00 0.00 H new ATOM 0 HB VAL A 5 -8.536 -12.534 20.569 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -6.150 -12.144 21.070 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -6.410 -13.685 20.218 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.772 -12.278 19.336 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.661 -10.228 20.691 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.369 -10.254 18.936 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -9.031 -10.363 19.563 1.00 0.00 H new ATOM 71 N LEU A 6 -6.665 -14.171 17.406 1.00 0.00 N ATOM 72 CA LEU A 6 -5.575 -14.476 16.494 1.00 0.00 C ATOM 73 C LEU A 6 -6.069 -14.342 15.052 1.00 0.00 C ATOM 74 O LEU A 6 -5.460 -13.640 14.247 1.00 0.00 O ATOM 75 CB LEU A 6 -4.976 -15.847 16.815 1.00 0.00 C ATOM 76 CG LEU A 6 -3.702 -16.217 16.052 1.00 0.00 C ATOM 77 CD1 LEU A 6 -3.264 -17.646 16.378 1.00 0.00 C ATOM 78 CD2 LEU A 6 -3.881 -16.001 14.548 1.00 0.00 C ATOM 0 H LEU A 6 -6.969 -14.954 17.984 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.762 -13.761 16.620 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.761 -15.887 17.883 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.730 -16.607 16.613 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.902 -15.552 16.379 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.357 -17.884 15.823 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.069 -17.732 17.447 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.054 -18.342 16.097 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.961 -16.271 14.030 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.698 -16.624 14.186 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.111 -14.953 14.356 1.00 0.00 H new ATOM 90 N ALA A 7 -7.168 -15.027 14.771 1.00 0.00 N ATOM 91 CA ALA A 7 -7.750 -14.993 13.441 1.00 0.00 C ATOM 92 C ALA A 7 -8.111 -13.550 13.083 1.00 0.00 C ATOM 93 O ALA A 7 -8.070 -13.167 11.915 1.00 0.00 O ATOM 94 CB ALA A 7 -8.961 -15.927 13.390 1.00 0.00 C ATOM 0 H ALA A 7 -7.670 -15.608 15.442 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.034 -15.347 12.700 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.398 -15.902 12.392 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -8.646 -16.944 13.623 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.703 -15.601 14.119 1.00 0.00 H new ATOM 100 N ALA A 8 -8.457 -12.788 14.110 1.00 0.00 N ATOM 101 CA ALA A 8 -8.825 -11.395 13.919 1.00 0.00 C ATOM 102 C ALA A 8 -7.595 -10.605 13.468 1.00 0.00 C ATOM 103 O ALA A 8 -7.717 -9.627 12.732 1.00 0.00 O ATOM 104 CB ALA A 8 -9.430 -10.845 15.212 1.00 0.00 C ATOM 0 H ALA A 8 -8.490 -13.109 15.078 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.581 -11.301 13.140 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.706 -9.800 15.069 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.317 -11.422 15.473 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.699 -10.920 16.017 1.00 0.00 H new ATOM 110 N ALA A 9 -6.438 -11.058 13.928 1.00 0.00 N ATOM 111 CA ALA A 9 -5.187 -10.406 13.581 1.00 0.00 C ATOM 112 C ALA A 9 -4.849 -10.704 12.119 1.00 0.00 C ATOM 113 O ALA A 9 -4.227 -9.887 11.442 1.00 0.00 O ATOM 114 CB ALA A 9 -4.087 -10.867 14.539 1.00 0.00 C ATOM 0 H ALA A 9 -6.341 -11.869 14.538 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.277 -9.325 13.685 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.149 -10.378 14.278 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.361 -10.605 15.561 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.966 -11.948 14.461 1.00 0.00 H new ATOM 120 N ILE A 10 -5.275 -11.878 11.674 1.00 0.00 N ATOM 121 CA ILE A 10 -5.025 -12.294 10.305 1.00 0.00 C ATOM 122 C ILE A 10 -6.000 -11.574 9.371 1.00 0.00 C ATOM 123 O ILE A 10 -5.588 -10.971 8.382 1.00 0.00 O ATOM 124 CB ILE A 10 -5.077 -13.819 10.191 1.00 0.00 C ATOM 125 CG1 ILE A 10 -3.677 -14.425 10.299 1.00 0.00 C ATOM 126 CG2 ILE A 10 -5.791 -14.249 8.907 1.00 0.00 C ATOM 127 CD1 ILE A 10 -3.639 -15.535 11.351 1.00 0.00 C ATOM 0 H ILE A 10 -5.791 -12.553 12.238 1.00 0.00 H new ATOM 0 HA ILE A 10 -4.019 -12.008 9.998 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.660 -14.204 11.028 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.375 -14.826 9.331 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.959 -13.647 10.560 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.814 -15.337 8.851 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -6.811 -13.864 8.911 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.257 -13.852 8.043 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.632 -15.949 11.407 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.918 -15.126 12.322 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.340 -16.323 11.074 1.00 0.00 H new ATOM 139 N ALA A 11 -7.276 -11.661 9.719 1.00 0.00 N ATOM 140 CA ALA A 11 -8.313 -11.025 8.925 1.00 0.00 C ATOM 141 C ALA A 11 -8.042 -9.521 8.850 1.00 0.00 C ATOM 142 O ALA A 11 -8.507 -8.848 7.931 1.00 0.00 O ATOM 143 CB ALA A 11 -9.684 -11.341 9.527 1.00 0.00 C ATOM 0 H ALA A 11 -7.615 -12.162 10.540 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.307 -11.412 7.906 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.462 -10.864 8.931 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -9.840 -12.420 9.530 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.728 -10.965 10.549 1.00 0.00 H new ATOM 149 N VAL A 12 -7.291 -9.038 9.829 1.00 0.00 N ATOM 150 CA VAL A 12 -6.953 -7.626 9.885 1.00 0.00 C ATOM 151 C VAL A 12 -5.848 -7.330 8.869 1.00 0.00 C ATOM 152 O VAL A 12 -5.940 -6.366 8.110 1.00 0.00 O ATOM 153 CB VAL A 12 -6.571 -7.236 11.314 1.00 0.00 C ATOM 154 CG1 VAL A 12 -5.321 -6.354 11.326 1.00 0.00 C ATOM 155 CG2 VAL A 12 -7.736 -6.545 12.024 1.00 0.00 C ATOM 0 H VAL A 12 -6.907 -9.599 10.589 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.815 -7.016 9.615 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.341 -8.151 11.860 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.071 -6.091 12.354 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.489 -6.896 10.878 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.511 -5.445 10.755 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.438 -6.278 13.038 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.011 -5.643 11.478 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.590 -7.221 12.063 1.00 0.00 H new ATOM 165 N GLY A 13 -4.829 -8.176 8.887 1.00 0.00 N ATOM 166 CA GLY A 13 -3.708 -8.017 7.976 1.00 0.00 C ATOM 167 C GLY A 13 -4.155 -8.180 6.522 1.00 0.00 C ATOM 168 O GLY A 13 -3.593 -7.558 5.623 1.00 0.00 O ATOM 0 H GLY A 13 -4.756 -8.974 9.518 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.259 -7.033 8.114 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.939 -8.753 8.208 1.00 0.00 H new ATOM 172 N LEU A 14 -5.164 -9.019 6.337 1.00 0.00 N ATOM 173 CA LEU A 14 -5.693 -9.271 5.008 1.00 0.00 C ATOM 174 C LEU A 14 -6.471 -8.043 4.532 1.00 0.00 C ATOM 175 O LEU A 14 -6.317 -7.610 3.391 1.00 0.00 O ATOM 176 CB LEU A 14 -6.514 -10.562 4.994 1.00 0.00 C ATOM 177 CG LEU A 14 -6.319 -11.468 3.776 1.00 0.00 C ATOM 178 CD1 LEU A 14 -7.014 -12.816 3.979 1.00 0.00 C ATOM 179 CD2 LEU A 14 -6.782 -10.772 2.495 1.00 0.00 C ATOM 0 H LEU A 14 -5.629 -9.533 7.086 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.881 -9.429 4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.271 -11.134 5.890 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.570 -10.299 5.061 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.253 -11.668 3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.860 -13.441 3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.596 -13.313 4.855 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.082 -12.656 4.128 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.632 -11.438 1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.840 -10.522 2.579 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.204 -9.860 2.347 1.00 0.00 H new ATOM 191 N GLY A 15 -7.290 -7.516 5.430 1.00 0.00 N ATOM 192 CA GLY A 15 -8.092 -6.346 5.116 1.00 0.00 C ATOM 193 C GLY A 15 -7.210 -5.109 4.932 1.00 0.00 C ATOM 194 O GLY A 15 -7.457 -4.292 4.046 1.00 0.00 O ATOM 0 H GLY A 15 -7.416 -7.878 6.375 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.665 -6.527 4.207 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.811 -6.168 5.916 1.00 0.00 H new ATOM 198 N ALA A 16 -6.199 -5.011 5.783 1.00 0.00 N ATOM 199 CA ALA A 16 -5.279 -3.888 5.726 1.00 0.00 C ATOM 200 C ALA A 16 -4.357 -4.052 4.516 1.00 0.00 C ATOM 201 O ALA A 16 -3.728 -3.090 4.076 1.00 0.00 O ATOM 202 CB ALA A 16 -4.504 -3.795 7.042 1.00 0.00 C ATOM 0 H ALA A 16 -5.997 -5.691 6.516 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.823 -2.952 5.602 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.814 -2.952 6.999 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.203 -3.650 7.866 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.943 -4.716 7.200 1.00 0.00 H new ATOM 208 N LEU A 17 -4.305 -5.276 4.013 1.00 0.00 N ATOM 209 CA LEU A 17 -3.470 -5.578 2.863 1.00 0.00 C ATOM 210 C LEU A 17 -4.068 -4.922 1.618 1.00 0.00 C ATOM 211 O LEU A 17 -3.412 -4.115 0.961 1.00 0.00 O ATOM 212 CB LEU A 17 -3.271 -7.089 2.727 1.00 0.00 C ATOM 213 CG LEU A 17 -3.000 -7.606 1.312 1.00 0.00 C ATOM 214 CD1 LEU A 17 -1.700 -8.409 1.262 1.00 0.00 C ATOM 215 CD2 LEU A 17 -4.191 -8.408 0.784 1.00 0.00 C ATOM 0 H LEU A 17 -4.828 -6.071 4.381 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.472 -5.159 2.996 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.439 -7.385 3.366 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.161 -7.588 3.111 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.873 -6.747 0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.531 -8.765 0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.868 -7.774 1.567 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.773 -9.261 1.937 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.972 -8.764 -0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.374 -9.260 1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.076 -7.772 0.760 1.00 0.00 H new ATOM 227 N GLY A 18 -5.307 -5.293 1.329 1.00 0.00 N ATOM 228 CA GLY A 18 -6.001 -4.750 0.174 1.00 0.00 C ATOM 229 C GLY A 18 -6.467 -3.317 0.438 1.00 0.00 C ATOM 230 O GLY A 18 -6.567 -2.513 -0.488 1.00 0.00 O ATOM 0 H GLY A 18 -5.848 -5.963 1.875 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -5.341 -4.767 -0.693 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.860 -5.377 -0.067 1.00 0.00 H new ATOM 234 N ALA A 19 -6.740 -3.041 1.705 1.00 0.00 N ATOM 235 CA ALA A 19 -7.193 -1.719 2.102 1.00 0.00 C ATOM 236 C ALA A 19 -6.034 -0.728 1.977 1.00 0.00 C ATOM 237 O ALA A 19 -6.181 0.331 1.369 1.00 0.00 O ATOM 238 CB ALA A 19 -7.758 -1.778 3.522 1.00 0.00 C ATOM 0 H ALA A 19 -6.656 -3.711 2.470 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.993 -1.375 1.446 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.098 -0.786 3.820 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -8.597 -2.473 3.551 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.982 -2.117 4.208 1.00 0.00 H new ATOM 244 N GLY A 20 -4.907 -1.107 2.561 1.00 0.00 N ATOM 245 CA GLY A 20 -3.723 -0.266 2.523 1.00 0.00 C ATOM 246 C GLY A 20 -3.367 0.114 1.084 1.00 0.00 C ATOM 247 O GLY A 20 -3.091 1.278 0.796 1.00 0.00 O ATOM 0 H GLY A 20 -4.789 -1.987 3.064 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.895 0.637 3.110 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.885 -0.790 2.983 1.00 0.00 H new ATOM 251 N ILE A 21 -3.385 -0.890 0.219 1.00 0.00 N ATOM 252 CA ILE A 21 -3.067 -0.676 -1.182 1.00 0.00 C ATOM 253 C ILE A 21 -4.048 0.339 -1.774 1.00 0.00 C ATOM 254 O ILE A 21 -3.729 1.022 -2.746 1.00 0.00 O ATOM 255 CB ILE A 21 -3.033 -2.008 -1.934 1.00 0.00 C ATOM 256 CG1 ILE A 21 -1.778 -2.116 -2.802 1.00 0.00 C ATOM 257 CG2 ILE A 21 -4.313 -2.211 -2.747 1.00 0.00 C ATOM 258 CD1 ILE A 21 -0.512 -1.981 -1.955 1.00 0.00 C ATOM 0 H ILE A 21 -3.615 -1.854 0.462 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.068 -0.253 -1.285 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.987 -2.813 -1.201 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.772 -3.074 -3.321 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.793 -1.339 -3.567 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.263 -3.165 -3.272 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.173 -2.210 -2.078 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -4.416 -1.403 -3.472 1.00 0.00 H new ATOM 0 HD11 ILE A 21 0.365 -2.061 -2.597 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.509 -1.012 -1.457 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.488 -2.774 -1.207 1.00 0.00 H new ATOM 270 N GLY A 22 -5.221 0.406 -1.162 1.00 0.00 N ATOM 271 CA GLY A 22 -6.250 1.326 -1.616 1.00 0.00 C ATOM 272 C GLY A 22 -5.899 2.768 -1.246 1.00 0.00 C ATOM 273 O GLY A 22 -6.233 3.699 -1.976 1.00 0.00 O ATOM 0 H GLY A 22 -5.482 -0.162 -0.356 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.366 1.242 -2.697 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.207 1.055 -1.170 1.00 0.00 H new ATOM 277 N ASN A 23 -5.229 2.907 -0.112 1.00 0.00 N ATOM 278 CA ASN A 23 -4.828 4.220 0.364 1.00 0.00 C ATOM 279 C ASN A 23 -3.601 4.690 -0.420 1.00 0.00 C ATOM 280 O ASN A 23 -3.398 5.889 -0.602 1.00 0.00 O ATOM 281 CB ASN A 23 -4.453 4.178 1.847 1.00 0.00 C ATOM 282 CG ASN A 23 -4.644 5.548 2.500 1.00 0.00 C ATOM 283 OD1 ASN A 23 -5.743 6.069 2.602 1.00 0.00 O ATOM 284 ND2 ASN A 23 -3.516 6.102 2.935 1.00 0.00 N ATOM 0 H ASN A 23 -4.954 2.132 0.491 1.00 0.00 H new ATOM 0 HA ASN A 23 -5.668 4.900 0.223 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.067 3.438 2.360 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.416 3.861 1.955 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -3.538 7.017 3.385 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -2.629 5.612 2.818 1.00 0.00 H new ATOM 291 N GLY A 24 -2.815 3.720 -0.863 1.00 0.00 N ATOM 292 CA GLY A 24 -1.614 4.019 -1.624 1.00 0.00 C ATOM 293 C GLY A 24 -1.960 4.426 -3.058 1.00 0.00 C ATOM 294 O GLY A 24 -1.452 5.427 -3.562 1.00 0.00 O ATOM 0 H GLY A 24 -2.986 2.726 -0.709 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.062 4.823 -1.137 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.961 3.146 -1.637 1.00 0.00 H new ATOM 298 N LEU A 25 -2.821 3.630 -3.674 1.00 0.00 N ATOM 299 CA LEU A 25 -3.241 3.895 -5.039 1.00 0.00 C ATOM 300 C LEU A 25 -3.952 5.249 -5.096 1.00 0.00 C ATOM 301 O LEU A 25 -3.843 5.970 -6.086 1.00 0.00 O ATOM 302 CB LEU A 25 -4.082 2.736 -5.576 1.00 0.00 C ATOM 303 CG LEU A 25 -5.308 2.355 -4.744 1.00 0.00 C ATOM 304 CD1 LEU A 25 -6.485 3.286 -5.044 1.00 0.00 C ATOM 305 CD2 LEU A 25 -5.674 0.884 -4.948 1.00 0.00 C ATOM 0 H LEU A 25 -3.239 2.801 -3.253 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.375 3.961 -5.697 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.415 2.991 -6.582 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.441 1.859 -5.665 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.058 2.481 -3.690 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.344 2.993 -4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.207 4.313 -4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.744 3.216 -6.100 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.549 0.640 -4.345 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.897 0.707 -6.000 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.837 0.255 -4.644 1.00 0.00 H new ATOM 317 N ILE A 26 -4.664 5.552 -4.021 1.00 0.00 N ATOM 318 CA ILE A 26 -5.393 6.807 -3.936 1.00 0.00 C ATOM 319 C ILE A 26 -4.402 7.971 -3.982 1.00 0.00 C ATOM 320 O ILE A 26 -4.622 8.951 -4.693 1.00 0.00 O ATOM 321 CB ILE A 26 -6.298 6.818 -2.703 1.00 0.00 C ATOM 322 CG1 ILE A 26 -7.653 6.177 -3.011 1.00 0.00 C ATOM 323 CG2 ILE A 26 -6.448 8.235 -2.145 1.00 0.00 C ATOM 324 CD1 ILE A 26 -8.537 7.127 -3.821 1.00 0.00 C ATOM 0 H ILE A 26 -4.752 4.951 -3.202 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.058 6.920 -4.792 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.825 6.215 -1.928 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.504 5.251 -3.566 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.154 5.913 -2.080 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.096 8.214 -1.269 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.468 8.620 -1.862 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.886 8.881 -2.906 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.494 6.647 -4.026 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.704 8.042 -3.253 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -8.043 7.370 -4.762 1.00 0.00 H new ATOM 336 N VAL A 27 -3.332 7.827 -3.214 1.00 0.00 N ATOM 337 CA VAL A 27 -2.306 8.854 -3.159 1.00 0.00 C ATOM 338 C VAL A 27 -1.593 8.931 -4.510 1.00 0.00 C ATOM 339 O VAL A 27 -1.275 10.020 -4.987 1.00 0.00 O ATOM 340 CB VAL A 27 -1.352 8.579 -1.994 1.00 0.00 C ATOM 341 CG1 VAL A 27 -0.417 9.767 -1.760 1.00 0.00 C ATOM 342 CG2 VAL A 27 -2.127 8.232 -0.721 1.00 0.00 C ATOM 0 H VAL A 27 -3.153 7.014 -2.624 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.753 9.830 -2.972 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.739 7.717 -2.258 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.251 9.546 -0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.172 9.949 -2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.007 10.654 -1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.426 8.041 0.091 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.776 9.065 -0.452 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.732 7.342 -0.895 1.00 0.00 H new ATOM 352 N SER A 28 -1.363 7.762 -5.089 1.00 0.00 N ATOM 353 CA SER A 28 -0.694 7.683 -6.376 1.00 0.00 C ATOM 354 C SER A 28 -1.554 8.345 -7.455 1.00 0.00 C ATOM 355 O SER A 28 -1.030 8.864 -8.440 1.00 0.00 O ATOM 356 CB SER A 28 -0.394 6.231 -6.754 1.00 0.00 C ATOM 357 OG SER A 28 -1.584 5.493 -7.023 1.00 0.00 O ATOM 0 H SER A 28 -1.628 6.861 -4.690 1.00 0.00 H new ATOM 0 HA SER A 28 0.255 8.214 -6.300 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.252 6.211 -7.632 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.155 5.751 -5.944 1.00 0.00 H new ATOM 0 HG SER A 28 -2.362 6.005 -6.719 1.00 0.00 H new ATOM 363 N ARG A 29 -2.859 8.306 -7.233 1.00 0.00 N ATOM 364 CA ARG A 29 -3.797 8.895 -8.173 1.00 0.00 C ATOM 365 C ARG A 29 -3.807 10.418 -8.029 1.00 0.00 C ATOM 366 O ARG A 29 -4.086 11.135 -8.989 1.00 0.00 O ATOM 367 CB ARG A 29 -5.212 8.359 -7.949 1.00 0.00 C ATOM 368 CG ARG A 29 -6.188 8.943 -8.973 1.00 0.00 C ATOM 369 CD ARG A 29 -6.036 8.255 -10.331 1.00 0.00 C ATOM 370 NE ARG A 29 -7.313 7.617 -10.721 1.00 0.00 N ATOM 371 CZ ARG A 29 -7.413 6.612 -11.601 1.00 0.00 C ATOM 372 NH1 ARG A 29 -6.312 6.124 -12.188 1.00 0.00 N ATOM 373 NH2 ARG A 29 -8.614 6.095 -11.894 1.00 0.00 N ATOM 0 H ARG A 29 -3.290 7.875 -6.415 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.473 8.624 -9.178 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.209 7.272 -8.023 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.544 8.609 -6.941 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.210 8.825 -8.614 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.010 10.013 -9.082 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.738 8.983 -11.086 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.246 7.506 -10.282 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.171 7.964 -10.293 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.398 6.518 -11.965 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.388 5.359 -12.858 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.452 6.467 -11.447 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.690 5.330 -12.564 1.00 0.00 H new ATOM 387 N THR A 30 -3.499 10.868 -6.821 1.00 0.00 N ATOM 388 CA THR A 30 -3.469 12.293 -6.539 1.00 0.00 C ATOM 389 C THR A 30 -2.155 12.906 -7.027 1.00 0.00 C ATOM 390 O THR A 30 -2.160 13.903 -7.748 1.00 0.00 O ATOM 391 CB THR A 30 -3.707 12.483 -5.039 1.00 0.00 C ATOM 392 OG1 THR A 30 -4.576 13.610 -4.966 1.00 0.00 O ATOM 393 CG2 THR A 30 -2.447 12.934 -4.298 1.00 0.00 C ATOM 0 H THR A 30 -3.268 10.271 -6.027 1.00 0.00 H new ATOM 0 HA THR A 30 -4.257 12.819 -7.078 1.00 0.00 H new ATOM 0 HB THR A 30 -4.066 11.549 -4.607 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.784 13.803 -4.028 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.671 13.054 -3.238 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.665 12.185 -4.421 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.106 13.885 -4.706 1.00 0.00 H new ATOM 401 N ILE A 31 -1.059 12.285 -6.614 1.00 0.00 N ATOM 402 CA ILE A 31 0.259 12.757 -7.001 1.00 0.00 C ATOM 403 C ILE A 31 0.351 12.808 -8.527 1.00 0.00 C ATOM 404 O ILE A 31 0.862 13.775 -9.090 1.00 0.00 O ATOM 405 CB ILE A 31 1.347 11.901 -6.348 1.00 0.00 C ATOM 406 CG1 ILE A 31 2.741 12.384 -6.754 1.00 0.00 C ATOM 407 CG2 ILE A 31 1.140 10.418 -6.661 1.00 0.00 C ATOM 408 CD1 ILE A 31 3.282 13.405 -5.751 1.00 0.00 C ATOM 0 H ILE A 31 -1.058 11.459 -6.015 1.00 0.00 H new ATOM 0 HA ILE A 31 0.422 13.772 -6.638 1.00 0.00 H new ATOM 0 HB ILE A 31 1.269 12.015 -5.267 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.421 11.534 -6.815 1.00 0.00 H new ATOM 0 HG13 ILE A 31 2.700 12.831 -7.747 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.927 9.832 -6.185 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.170 10.098 -6.282 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.176 10.265 -7.740 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.274 13.732 -6.063 1.00 0.00 H new ATOM 0 HD12 ILE A 31 2.613 14.265 -5.710 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.345 12.947 -4.764 1.00 0.00 H new ATOM 420 N GLU A 32 -0.152 11.755 -9.154 1.00 0.00 N ATOM 421 CA GLU A 32 -0.134 11.668 -10.604 1.00 0.00 C ATOM 422 C GLU A 32 -1.110 12.678 -11.209 1.00 0.00 C ATOM 423 O GLU A 32 -0.882 13.188 -12.305 1.00 0.00 O ATOM 424 CB GLU A 32 -0.455 10.247 -11.072 1.00 0.00 C ATOM 425 CG GLU A 32 -1.966 10.011 -11.113 1.00 0.00 C ATOM 426 CD GLU A 32 -2.526 10.285 -12.510 1.00 0.00 C ATOM 427 OE1 GLU A 32 -2.000 11.213 -13.161 1.00 0.00 O ATOM 428 OE2 GLU A 32 -3.468 9.558 -12.896 1.00 0.00 O ATOM 0 H GLU A 32 -0.575 10.954 -8.684 1.00 0.00 H new ATOM 0 HA GLU A 32 0.870 11.911 -10.950 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.031 10.082 -12.062 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.011 9.525 -10.401 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.185 8.983 -10.825 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.458 10.658 -10.387 1.00 0.00 H new ATOM 435 N GLY A 33 -2.178 12.938 -10.469 1.00 0.00 N ATOM 436 CA GLY A 33 -3.190 13.878 -10.919 1.00 0.00 C ATOM 437 C GLY A 33 -2.557 15.210 -11.329 1.00 0.00 C ATOM 438 O GLY A 33 -2.809 15.709 -12.425 1.00 0.00 O ATOM 0 H GLY A 33 -2.364 12.514 -9.560 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.735 13.455 -11.763 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.916 14.046 -10.123 1.00 0.00 H new ATOM 442 N ILE A 34 -1.749 15.747 -10.428 1.00 0.00 N ATOM 443 CA ILE A 34 -1.078 17.011 -10.683 1.00 0.00 C ATOM 444 C ILE A 34 -0.046 16.820 -11.796 1.00 0.00 C ATOM 445 O ILE A 34 0.232 17.748 -12.555 1.00 0.00 O ATOM 446 CB ILE A 34 -0.489 17.575 -9.388 1.00 0.00 C ATOM 447 CG1 ILE A 34 0.719 16.755 -8.933 1.00 0.00 C ATOM 448 CG2 ILE A 34 -1.558 17.676 -8.298 1.00 0.00 C ATOM 449 CD1 ILE A 34 0.370 15.893 -7.718 1.00 0.00 C ATOM 0 H ILE A 34 -1.543 15.330 -9.520 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.791 17.757 -11.034 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.135 18.587 -9.585 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.059 16.118 -9.750 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.544 17.423 -8.685 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.113 18.080 -7.388 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.359 18.335 -8.634 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.965 16.685 -8.094 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.246 15.320 -7.415 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.053 16.535 -6.896 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.439 15.210 -7.977 1.00 0.00 H new ATOM 461 N ALA A 35 0.493 15.612 -11.859 1.00 0.00 N ATOM 462 CA ALA A 35 1.488 15.288 -12.867 1.00 0.00 C ATOM 463 C ALA A 35 0.851 15.384 -14.255 1.00 0.00 C ATOM 464 O ALA A 35 1.553 15.387 -15.265 1.00 0.00 O ATOM 465 CB ALA A 35 2.067 13.900 -12.586 1.00 0.00 C ATOM 0 H ALA A 35 0.260 14.845 -11.228 1.00 0.00 H new ATOM 0 HA ALA A 35 2.314 15.998 -12.833 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.813 13.657 -13.342 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.533 13.893 -11.601 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.267 13.160 -12.614 1.00 0.00 H new ATOM 471 N ARG A 36 -0.471 15.459 -14.260 1.00 0.00 N ATOM 472 CA ARG A 36 -1.211 15.555 -15.508 1.00 0.00 C ATOM 473 C ARG A 36 -0.852 16.850 -16.239 1.00 0.00 C ATOM 474 O ARG A 36 -0.987 16.936 -17.459 1.00 0.00 O ATOM 475 CB ARG A 36 -2.720 15.519 -15.258 1.00 0.00 C ATOM 476 CG ARG A 36 -3.159 14.145 -14.749 1.00 0.00 C ATOM 477 CD ARG A 36 -4.682 14.070 -14.618 1.00 0.00 C ATOM 478 NE ARG A 36 -5.265 13.460 -15.834 1.00 0.00 N ATOM 479 CZ ARG A 36 -6.515 12.984 -15.910 1.00 0.00 C ATOM 480 NH1 ARG A 36 -7.321 13.044 -14.841 1.00 0.00 N ATOM 481 NH2 ARG A 36 -6.959 12.447 -17.054 1.00 0.00 N ATOM 0 H ARG A 36 -1.050 15.455 -13.420 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.936 14.698 -16.123 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.990 16.284 -14.530 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.251 15.756 -16.180 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.811 13.371 -15.433 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.697 13.947 -13.782 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.951 13.481 -13.741 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.092 15.069 -14.470 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.678 13.398 -16.666 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.983 13.452 -13.970 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.273 12.682 -14.899 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.345 12.400 -17.867 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.911 12.085 -17.112 1.00 0.00 H new ATOM 495 N GLN A 37 -0.402 17.825 -15.463 1.00 0.00 N ATOM 496 CA GLN A 37 -0.023 19.111 -16.022 1.00 0.00 C ATOM 497 C GLN A 37 1.403 19.050 -16.576 1.00 0.00 C ATOM 498 O GLN A 37 2.122 18.081 -16.342 1.00 0.00 O ATOM 499 CB GLN A 37 -0.159 20.223 -14.981 1.00 0.00 C ATOM 500 CG GLN A 37 -1.423 21.050 -15.224 1.00 0.00 C ATOM 501 CD GLN A 37 -1.094 22.542 -15.315 1.00 0.00 C ATOM 502 OE1 GLN A 37 -1.274 23.182 -16.338 1.00 0.00 O ATOM 503 NE2 GLN A 37 -0.603 23.057 -14.192 1.00 0.00 N ATOM 0 H GLN A 37 -0.291 17.750 -14.452 1.00 0.00 H new ATOM 0 HA GLN A 37 -0.702 19.342 -16.843 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.191 19.789 -13.982 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.717 20.871 -15.019 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.904 20.723 -16.146 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.134 20.880 -14.416 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.478 22.464 -13.371 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.352 24.045 -14.151 1.00 0.00 H new ATOM 512 N PRO A 38 1.778 20.127 -17.318 1.00 0.00 N ATOM 513 CA PRO A 38 3.104 20.205 -17.906 1.00 0.00 C ATOM 514 C PRO A 38 4.157 20.527 -16.843 1.00 0.00 C ATOM 515 O PRO A 38 5.142 19.805 -16.702 1.00 0.00 O ATOM 516 CB PRO A 38 2.996 21.276 -18.979 1.00 0.00 C ATOM 517 CG PRO A 38 1.751 22.080 -18.642 1.00 0.00 C ATOM 518 CD PRO A 38 0.952 21.293 -17.615 1.00 0.00 C ATOM 0 HA PRO A 38 3.429 19.259 -18.338 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.881 21.912 -18.987 1.00 0.00 H new ATOM 0 HB3 PRO A 38 2.916 20.829 -19.970 1.00 0.00 H new ATOM 0 HG2 PRO A 38 2.024 23.058 -18.246 1.00 0.00 H new ATOM 0 HG3 PRO A 38 1.155 22.254 -19.538 1.00 0.00 H new ATOM 0 HD2 PRO A 38 0.766 21.885 -16.719 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.020 20.999 -18.010 1.00 0.00 H new ATOM 526 N GLU A 39 3.912 21.612 -16.124 1.00 0.00 N ATOM 527 CA GLU A 39 4.827 22.039 -15.079 1.00 0.00 C ATOM 528 C GLU A 39 5.141 20.873 -14.139 1.00 0.00 C ATOM 529 O GLU A 39 6.192 20.852 -13.500 1.00 0.00 O ATOM 530 CB GLU A 39 4.257 23.229 -14.304 1.00 0.00 C ATOM 531 CG GLU A 39 5.375 24.038 -13.642 1.00 0.00 C ATOM 532 CD GLU A 39 4.814 24.965 -12.561 1.00 0.00 C ATOM 533 OE1 GLU A 39 3.761 25.582 -12.833 1.00 0.00 O ATOM 534 OE2 GLU A 39 5.451 25.037 -11.488 1.00 0.00 O ATOM 0 H GLU A 39 3.093 22.208 -16.244 1.00 0.00 H new ATOM 0 HA GLU A 39 5.756 22.363 -15.547 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.690 23.870 -14.980 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.562 22.873 -13.544 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.107 23.361 -13.202 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.898 24.627 -14.396 1.00 0.00 H new ATOM 541 N LEU A 40 4.211 19.931 -14.086 1.00 0.00 N ATOM 542 CA LEU A 40 4.375 18.764 -13.236 1.00 0.00 C ATOM 543 C LEU A 40 4.782 17.565 -14.095 1.00 0.00 C ATOM 544 O LEU A 40 4.436 16.427 -13.782 1.00 0.00 O ATOM 545 CB LEU A 40 3.113 18.525 -12.404 1.00 0.00 C ATOM 546 CG LEU A 40 2.649 19.698 -11.538 1.00 0.00 C ATOM 547 CD1 LEU A 40 3.844 20.463 -10.965 1.00 0.00 C ATOM 548 CD2 LEU A 40 1.702 20.613 -12.316 1.00 0.00 C ATOM 0 H LEU A 40 3.341 19.952 -14.618 1.00 0.00 H new ATOM 0 HA LEU A 40 5.177 18.927 -12.516 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.302 18.255 -13.080 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.287 17.666 -11.755 1.00 0.00 H new ATOM 0 HG LEU A 40 2.088 19.298 -10.693 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.486 21.291 -10.354 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.445 19.792 -10.351 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.453 20.851 -11.781 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.387 21.438 -11.677 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.216 21.008 -13.192 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.827 20.046 -12.633 1.00 0.00 H new ATOM 560 N ARG A 41 5.511 17.862 -15.161 1.00 0.00 N ATOM 561 CA ARG A 41 5.968 16.823 -16.068 1.00 0.00 C ATOM 562 C ARG A 41 6.850 15.819 -15.322 1.00 0.00 C ATOM 563 O ARG A 41 6.730 14.611 -15.526 1.00 0.00 O ATOM 564 CB ARG A 41 6.759 17.418 -17.234 1.00 0.00 C ATOM 565 CG ARG A 41 7.696 16.377 -17.849 1.00 0.00 C ATOM 566 CD ARG A 41 6.915 15.153 -18.332 1.00 0.00 C ATOM 567 NE ARG A 41 6.417 15.380 -19.707 1.00 0.00 N ATOM 568 CZ ARG A 41 6.007 14.404 -20.528 1.00 0.00 C ATOM 569 NH1 ARG A 41 6.032 13.128 -20.118 1.00 0.00 N ATOM 570 NH2 ARG A 41 5.571 14.703 -21.759 1.00 0.00 N ATOM 0 H ARG A 41 5.796 18.807 -15.417 1.00 0.00 H new ATOM 0 HA ARG A 41 5.087 16.316 -16.463 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.071 17.787 -17.994 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.338 18.273 -16.886 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.239 16.819 -18.684 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.439 16.071 -17.112 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.555 14.271 -18.309 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.078 14.957 -17.661 1.00 0.00 H new ATOM 0 HE ARG A 41 6.384 16.340 -20.051 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.363 12.900 -19.181 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.720 12.385 -20.743 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.551 15.674 -22.071 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.259 13.960 -22.384 1.00 0.00 H new ATOM 584 N PRO A 42 7.739 16.369 -14.453 1.00 0.00 N ATOM 585 CA PRO A 42 8.641 15.535 -13.676 1.00 0.00 C ATOM 586 C PRO A 42 7.898 14.842 -12.532 1.00 0.00 C ATOM 587 O PRO A 42 8.345 13.811 -12.032 1.00 0.00 O ATOM 588 CB PRO A 42 9.730 16.478 -13.192 1.00 0.00 C ATOM 589 CG PRO A 42 9.155 17.880 -13.321 1.00 0.00 C ATOM 590 CD PRO A 42 7.909 17.794 -14.186 1.00 0.00 C ATOM 0 HA PRO A 42 9.069 14.720 -14.260 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.004 16.262 -12.159 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.634 16.370 -13.791 1.00 0.00 H new ATOM 0 HG2 PRO A 42 8.911 18.284 -12.339 1.00 0.00 H new ATOM 0 HG3 PRO A 42 9.886 18.553 -13.770 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.041 18.207 -13.672 1.00 0.00 H new ATOM 0 HD3 PRO A 42 8.030 18.358 -15.111 1.00 0.00 H new ATOM 598 N VAL A 43 6.776 15.435 -12.152 1.00 0.00 N ATOM 599 CA VAL A 43 5.967 14.888 -11.076 1.00 0.00 C ATOM 600 C VAL A 43 5.521 13.472 -11.449 1.00 0.00 C ATOM 601 O VAL A 43 5.285 12.641 -10.574 1.00 0.00 O ATOM 602 CB VAL A 43 4.795 15.824 -10.775 1.00 0.00 C ATOM 603 CG1 VAL A 43 3.893 15.239 -9.686 1.00 0.00 C ATOM 604 CG2 VAL A 43 5.293 17.217 -10.385 1.00 0.00 C ATOM 0 H VAL A 43 6.408 16.289 -12.570 1.00 0.00 H new ATOM 0 HA VAL A 43 6.551 14.814 -10.158 1.00 0.00 H new ATOM 0 HB VAL A 43 4.202 15.923 -11.684 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.068 15.924 -9.491 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.497 14.279 -10.018 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.471 15.097 -8.773 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.440 17.863 -10.176 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.919 17.144 -9.496 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.875 17.638 -11.205 1.00 0.00 H new ATOM 614 N LEU A 44 5.420 13.241 -12.750 1.00 0.00 N ATOM 615 CA LEU A 44 5.006 11.941 -13.249 1.00 0.00 C ATOM 616 C LEU A 44 5.904 10.859 -12.646 1.00 0.00 C ATOM 617 O LEU A 44 5.413 9.864 -12.115 1.00 0.00 O ATOM 618 CB LEU A 44 4.982 11.938 -14.779 1.00 0.00 C ATOM 619 CG LEU A 44 3.616 11.703 -15.428 1.00 0.00 C ATOM 620 CD1 LEU A 44 3.609 12.184 -16.880 1.00 0.00 C ATOM 621 CD2 LEU A 44 3.197 10.237 -15.308 1.00 0.00 C ATOM 0 H LEU A 44 5.618 13.932 -13.473 1.00 0.00 H new ATOM 0 HA LEU A 44 3.985 11.720 -12.936 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.369 12.894 -15.131 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.667 11.167 -15.132 1.00 0.00 H new ATOM 0 HG LEU A 44 2.876 12.294 -14.889 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.627 12.005 -17.318 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.832 13.251 -16.911 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.364 11.639 -17.447 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.223 10.097 -15.777 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.933 9.606 -15.806 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.136 9.961 -14.255 1.00 0.00 H new ATOM 633 N GLN A 45 7.205 11.090 -12.748 1.00 0.00 N ATOM 634 CA GLN A 45 8.176 10.147 -12.219 1.00 0.00 C ATOM 635 C GLN A 45 7.980 9.973 -10.711 1.00 0.00 C ATOM 636 O GLN A 45 8.296 8.921 -10.158 1.00 0.00 O ATOM 637 CB GLN A 45 9.604 10.594 -12.539 1.00 0.00 C ATOM 638 CG GLN A 45 10.627 9.731 -11.798 1.00 0.00 C ATOM 639 CD GLN A 45 11.984 9.761 -12.504 1.00 0.00 C ATOM 640 OE1 GLN A 45 12.780 10.670 -12.336 1.00 0.00 O ATOM 641 NE2 GLN A 45 12.202 8.719 -13.301 1.00 0.00 N ATOM 0 H GLN A 45 7.609 11.916 -13.189 1.00 0.00 H new ATOM 0 HA GLN A 45 8.016 9.182 -12.700 1.00 0.00 H new ATOM 0 HB2 GLN A 45 9.777 10.528 -13.613 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.733 11.639 -12.258 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.738 10.090 -10.775 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.267 8.704 -11.739 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.492 7.992 -13.396 1.00 0.00 H new ATOM 0 HE22 GLN A 45 13.079 8.646 -13.817 1.00 0.00 H new ATOM 650 N THR A 46 7.461 11.022 -10.089 1.00 0.00 N ATOM 651 CA THR A 46 7.220 10.998 -8.657 1.00 0.00 C ATOM 652 C THR A 46 6.144 9.965 -8.314 1.00 0.00 C ATOM 653 O THR A 46 6.284 9.216 -7.349 1.00 0.00 O ATOM 654 CB THR A 46 6.862 12.418 -8.214 1.00 0.00 C ATOM 655 OG1 THR A 46 7.761 12.685 -7.142 1.00 0.00 O ATOM 656 CG2 THR A 46 5.477 12.498 -7.568 1.00 0.00 C ATOM 0 H THR A 46 7.201 11.893 -10.551 1.00 0.00 H new ATOM 0 HA THR A 46 8.111 10.686 -8.111 1.00 0.00 H new ATOM 0 HB THR A 46 6.901 13.087 -9.074 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.599 13.588 -6.796 1.00 0.00 H new ATOM 0 HG21 THR A 46 5.272 13.527 -7.272 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.723 12.169 -8.283 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.448 11.855 -6.688 1.00 0.00 H new ATOM 664 N THR A 47 5.096 9.959 -9.124 1.00 0.00 N ATOM 665 CA THR A 47 3.998 9.030 -8.919 1.00 0.00 C ATOM 666 C THR A 47 4.406 7.618 -9.345 1.00 0.00 C ATOM 667 O THR A 47 3.923 6.634 -8.787 1.00 0.00 O ATOM 668 CB THR A 47 2.780 9.564 -9.676 1.00 0.00 C ATOM 669 OG1 THR A 47 1.774 8.579 -9.454 1.00 0.00 O ATOM 670 CG2 THR A 47 2.982 9.556 -11.192 1.00 0.00 C ATOM 0 H THR A 47 4.984 10.583 -9.923 1.00 0.00 H new ATOM 0 HA THR A 47 3.737 8.954 -7.864 1.00 0.00 H new ATOM 0 HB THR A 47 2.564 10.580 -9.345 1.00 0.00 H new ATOM 0 HG1 THR A 47 1.573 8.121 -10.297 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.088 9.945 -11.680 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.837 10.182 -11.448 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.165 8.536 -11.529 1.00 0.00 H new ATOM 678 N MET A 48 5.291 7.564 -10.329 1.00 0.00 N ATOM 679 CA MET A 48 5.770 6.289 -10.835 1.00 0.00 C ATOM 680 C MET A 48 6.529 5.519 -9.753 1.00 0.00 C ATOM 681 O MET A 48 6.350 4.312 -9.604 1.00 0.00 O ATOM 682 CB MET A 48 6.692 6.529 -12.032 1.00 0.00 C ATOM 683 CG MET A 48 5.894 6.588 -13.336 1.00 0.00 C ATOM 684 SD MET A 48 6.860 7.384 -14.609 1.00 0.00 S ATOM 685 CE MET A 48 6.030 6.763 -16.062 1.00 0.00 C ATOM 0 H MET A 48 5.689 8.382 -10.790 1.00 0.00 H new ATOM 0 HA MET A 48 4.909 5.695 -11.141 1.00 0.00 H new ATOM 0 HB2 MET A 48 7.238 7.462 -11.893 1.00 0.00 H new ATOM 0 HB3 MET A 48 7.433 5.732 -12.091 1.00 0.00 H new ATOM 0 HG2 MET A 48 5.622 5.581 -13.651 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.964 7.135 -13.178 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.510 7.165 -16.955 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.088 5.675 -16.077 1.00 0.00 H new ATOM 0 HE3 MET A 48 4.984 7.070 -16.043 1.00 0.00 H new ATOM 695 N PHE A 49 7.360 6.250 -9.024 1.00 0.00 N ATOM 696 CA PHE A 49 8.147 5.651 -7.960 1.00 0.00 C ATOM 697 C PHE A 49 7.281 5.369 -6.730 1.00 0.00 C ATOM 698 O PHE A 49 7.515 4.399 -6.011 1.00 0.00 O ATOM 699 CB PHE A 49 9.233 6.660 -7.584 1.00 0.00 C ATOM 700 CG PHE A 49 10.651 6.212 -7.944 1.00 0.00 C ATOM 701 CD1 PHE A 49 11.003 6.049 -9.247 1.00 0.00 C ATOM 702 CD2 PHE A 49 11.560 5.975 -6.960 1.00 0.00 C ATOM 703 CE1 PHE A 49 12.318 5.632 -9.581 1.00 0.00 C ATOM 704 CE2 PHE A 49 12.876 5.559 -7.294 1.00 0.00 C ATOM 705 CZ PHE A 49 13.227 5.396 -8.598 1.00 0.00 C ATOM 0 H PHE A 49 7.505 7.252 -9.150 1.00 0.00 H new ATOM 0 HA PHE A 49 8.570 4.705 -8.298 1.00 0.00 H new ATOM 0 HB2 PHE A 49 9.024 7.606 -8.084 1.00 0.00 H new ATOM 0 HB3 PHE A 49 9.184 6.848 -6.512 1.00 0.00 H new ATOM 0 HD1 PHE A 49 10.282 6.237 -10.028 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.281 6.103 -5.925 1.00 0.00 H new ATOM 0 HE1 PHE A 49 12.597 5.502 -10.616 1.00 0.00 H new ATOM 0 HE2 PHE A 49 13.598 5.372 -6.513 1.00 0.00 H new ATOM 0 HZ PHE A 49 14.228 5.079 -8.852 1.00 0.00 H new ATOM 715 N ILE A 50 6.299 6.235 -6.527 1.00 0.00 N ATOM 716 CA ILE A 50 5.397 6.092 -5.396 1.00 0.00 C ATOM 717 C ILE A 50 4.481 4.889 -5.630 1.00 0.00 C ATOM 718 O ILE A 50 4.079 4.217 -4.681 1.00 0.00 O ATOM 719 CB ILE A 50 4.644 7.399 -5.143 1.00 0.00 C ATOM 720 CG1 ILE A 50 4.864 7.891 -3.711 1.00 0.00 C ATOM 721 CG2 ILE A 50 3.158 7.249 -5.476 1.00 0.00 C ATOM 722 CD1 ILE A 50 6.281 8.440 -3.532 1.00 0.00 C ATOM 0 H ILE A 50 6.108 7.038 -7.126 1.00 0.00 H new ATOM 0 HA ILE A 50 5.958 5.893 -4.483 1.00 0.00 H new ATOM 0 HB ILE A 50 5.048 8.160 -5.810 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.137 8.667 -3.474 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.696 7.072 -3.011 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.646 8.192 -5.287 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.046 6.979 -6.526 1.00 0.00 H new ATOM 0 HG23 ILE A 50 2.722 6.469 -4.852 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.411 8.783 -2.506 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.005 7.654 -3.747 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.437 9.274 -4.216 1.00 0.00 H new ATOM 734 N GLY A 51 4.178 4.654 -6.898 1.00 0.00 N ATOM 735 CA GLY A 51 3.316 3.544 -7.268 1.00 0.00 C ATOM 736 C GLY A 51 3.985 2.204 -6.957 1.00 0.00 C ATOM 737 O GLY A 51 3.391 1.345 -6.307 1.00 0.00 O ATOM 0 H GLY A 51 4.514 5.213 -7.682 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.371 3.617 -6.729 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.081 3.600 -8.331 1.00 0.00 H new ATOM 741 N VAL A 52 5.213 2.067 -7.435 1.00 0.00 N ATOM 742 CA VAL A 52 5.970 0.845 -7.216 1.00 0.00 C ATOM 743 C VAL A 52 6.037 0.555 -5.715 1.00 0.00 C ATOM 744 O VAL A 52 5.688 -0.540 -5.275 1.00 0.00 O ATOM 745 CB VAL A 52 7.350 0.961 -7.865 1.00 0.00 C ATOM 746 CG1 VAL A 52 8.033 -0.405 -7.949 1.00 0.00 C ATOM 747 CG2 VAL A 52 7.254 1.612 -9.247 1.00 0.00 C ATOM 0 H VAL A 52 5.703 2.782 -7.973 1.00 0.00 H new ATOM 0 HA VAL A 52 5.474 -0.002 -7.689 1.00 0.00 H new ATOM 0 HB VAL A 52 7.963 1.604 -7.234 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.012 -0.294 -8.414 1.00 0.00 H new ATOM 0 HG12 VAL A 52 8.152 -0.815 -6.946 1.00 0.00 H new ATOM 0 HG13 VAL A 52 7.422 -1.081 -8.547 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.249 1.682 -9.686 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.615 1.007 -9.891 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.829 2.611 -9.150 1.00 0.00 H new ATOM 757 N ALA A 53 6.489 1.553 -4.971 1.00 0.00 N ATOM 758 CA ALA A 53 6.607 1.419 -3.529 1.00 0.00 C ATOM 759 C ALA A 53 5.241 1.061 -2.941 1.00 0.00 C ATOM 760 O ALA A 53 5.158 0.343 -1.946 1.00 0.00 O ATOM 761 CB ALA A 53 7.174 2.712 -2.940 1.00 0.00 C ATOM 0 H ALA A 53 6.778 2.459 -5.340 1.00 0.00 H new ATOM 0 HA ALA A 53 7.297 0.615 -3.274 1.00 0.00 H new ATOM 0 HB1 ALA A 53 7.262 2.611 -1.858 1.00 0.00 H new ATOM 0 HB2 ALA A 53 8.158 2.906 -3.368 1.00 0.00 H new ATOM 0 HB3 ALA A 53 6.507 3.542 -3.174 1.00 0.00 H new ATOM 767 N LEU A 54 4.202 1.577 -3.582 1.00 0.00 N ATOM 768 CA LEU A 54 2.844 1.321 -3.136 1.00 0.00 C ATOM 769 C LEU A 54 2.510 -0.156 -3.354 1.00 0.00 C ATOM 770 O LEU A 54 1.733 -0.738 -2.599 1.00 0.00 O ATOM 771 CB LEU A 54 1.866 2.280 -3.817 1.00 0.00 C ATOM 772 CG LEU A 54 0.626 1.640 -4.445 1.00 0.00 C ATOM 773 CD1 LEU A 54 -0.164 0.842 -3.406 1.00 0.00 C ATOM 774 CD2 LEU A 54 -0.241 2.691 -5.141 1.00 0.00 C ATOM 0 H LEU A 54 4.274 2.172 -4.408 1.00 0.00 H new ATOM 0 HA LEU A 54 2.751 1.515 -2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.538 3.015 -3.082 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.403 2.824 -4.594 1.00 0.00 H new ATOM 0 HG LEU A 54 0.955 0.937 -5.210 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.040 0.397 -3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.467 0.053 -2.996 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.482 1.506 -2.602 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.115 2.209 -5.579 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.563 3.436 -4.414 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.337 3.177 -5.927 1.00 0.00 H new ATOM 786 N VAL A 55 3.113 -0.719 -4.390 1.00 0.00 N ATOM 787 CA VAL A 55 2.890 -2.117 -4.718 1.00 0.00 C ATOM 788 C VAL A 55 3.574 -2.997 -3.670 1.00 0.00 C ATOM 789 O VAL A 55 3.153 -4.129 -3.433 1.00 0.00 O ATOM 790 CB VAL A 55 3.366 -2.403 -6.143 1.00 0.00 C ATOM 791 CG1 VAL A 55 3.787 -3.866 -6.297 1.00 0.00 C ATOM 792 CG2 VAL A 55 2.290 -2.033 -7.165 1.00 0.00 C ATOM 0 H VAL A 55 3.756 -0.232 -5.014 1.00 0.00 H new ATOM 0 HA VAL A 55 1.826 -2.350 -4.693 1.00 0.00 H new ATOM 0 HB VAL A 55 4.240 -1.780 -6.335 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.121 -4.043 -7.319 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.601 -4.085 -5.606 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.939 -4.514 -6.075 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.654 -2.246 -8.170 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.390 -2.617 -6.974 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.058 -0.971 -7.081 1.00 0.00 H new ATOM 802 N GLU A 56 4.619 -2.445 -3.071 1.00 0.00 N ATOM 803 CA GLU A 56 5.367 -3.166 -2.055 1.00 0.00 C ATOM 804 C GLU A 56 4.592 -3.179 -0.736 1.00 0.00 C ATOM 805 O GLU A 56 5.046 -3.759 0.250 1.00 0.00 O ATOM 806 CB GLU A 56 6.760 -2.562 -1.867 1.00 0.00 C ATOM 807 CG GLU A 56 7.604 -2.727 -3.132 1.00 0.00 C ATOM 808 CD GLU A 56 9.092 -2.545 -2.826 1.00 0.00 C ATOM 809 OE1 GLU A 56 9.537 -1.377 -2.849 1.00 0.00 O ATOM 810 OE2 GLU A 56 9.750 -3.578 -2.576 1.00 0.00 O ATOM 0 H GLU A 56 4.965 -1.506 -3.270 1.00 0.00 H new ATOM 0 HA GLU A 56 5.496 -4.196 -2.389 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.671 -1.504 -1.620 1.00 0.00 H new ATOM 0 HB3 GLU A 56 7.259 -3.045 -1.027 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.435 -3.715 -3.560 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.291 -1.998 -3.880 1.00 0.00 H new ATOM 817 N ALA A 57 3.436 -2.532 -0.759 1.00 0.00 N ATOM 818 CA ALA A 57 2.594 -2.462 0.423 1.00 0.00 C ATOM 819 C ALA A 57 1.647 -3.663 0.442 1.00 0.00 C ATOM 820 O ALA A 57 1.115 -4.023 1.491 1.00 0.00 O ATOM 821 CB ALA A 57 1.844 -1.128 0.438 1.00 0.00 C ATOM 0 H ALA A 57 3.063 -2.052 -1.578 1.00 0.00 H new ATOM 0 HA ALA A 57 3.200 -2.506 1.328 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.212 -1.076 1.325 1.00 0.00 H new ATOM 0 HB2 ALA A 57 2.561 -0.307 0.454 1.00 0.00 H new ATOM 0 HB3 ALA A 57 1.223 -1.049 -0.455 1.00 0.00 H new ATOM 827 N LEU A 58 1.464 -4.251 -0.732 1.00 0.00 N ATOM 828 CA LEU A 58 0.590 -5.404 -0.864 1.00 0.00 C ATOM 829 C LEU A 58 1.227 -6.604 -0.161 1.00 0.00 C ATOM 830 O LEU A 58 0.592 -7.250 0.672 1.00 0.00 O ATOM 831 CB LEU A 58 0.258 -5.659 -2.335 1.00 0.00 C ATOM 832 CG LEU A 58 -1.208 -5.964 -2.648 1.00 0.00 C ATOM 833 CD1 LEU A 58 -2.140 -5.028 -1.878 1.00 0.00 C ATOM 834 CD2 LEU A 58 -1.468 -5.919 -4.156 1.00 0.00 C ATOM 0 H LEU A 58 1.907 -3.950 -1.600 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.365 -5.216 -0.373 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.558 -4.784 -2.912 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.865 -6.494 -2.685 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.424 -6.979 -2.314 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.176 -5.267 -2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.978 -5.154 -0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.931 -3.995 -2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.518 -6.139 -4.351 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.229 -4.926 -4.537 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.843 -6.659 -4.655 1.00 0.00 H new ATOM 846 N PRO A 59 2.508 -6.874 -0.531 1.00 0.00 N ATOM 847 CA PRO A 59 3.238 -7.985 0.055 1.00 0.00 C ATOM 848 C PRO A 59 3.683 -7.658 1.481 1.00 0.00 C ATOM 849 O PRO A 59 3.741 -8.541 2.336 1.00 0.00 O ATOM 850 CB PRO A 59 4.403 -8.232 -0.889 1.00 0.00 C ATOM 851 CG PRO A 59 4.549 -6.962 -1.712 1.00 0.00 C ATOM 852 CD PRO A 59 3.292 -6.132 -1.514 1.00 0.00 C ATOM 0 HA PRO A 59 2.628 -8.882 0.156 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.317 -8.445 -0.334 1.00 0.00 H new ATOM 0 HB3 PRO A 59 4.211 -9.093 -1.530 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.430 -6.402 -1.397 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.685 -7.204 -2.766 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.531 -5.131 -1.155 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.745 -6.013 -2.449 1.00 0.00 H new ATOM 860 N ILE A 60 3.986 -6.386 1.695 1.00 0.00 N ATOM 861 CA ILE A 60 4.425 -5.931 3.004 1.00 0.00 C ATOM 862 C ILE A 60 3.352 -6.266 4.041 1.00 0.00 C ATOM 863 O ILE A 60 3.636 -6.918 5.045 1.00 0.00 O ATOM 864 CB ILE A 60 4.793 -4.446 2.959 1.00 0.00 C ATOM 865 CG1 ILE A 60 6.240 -4.254 2.499 1.00 0.00 C ATOM 866 CG2 ILE A 60 4.526 -3.774 4.307 1.00 0.00 C ATOM 867 CD1 ILE A 60 6.543 -2.777 2.243 1.00 0.00 C ATOM 0 H ILE A 60 3.936 -5.656 0.984 1.00 0.00 H new ATOM 0 HA ILE A 60 5.334 -6.453 3.304 1.00 0.00 H new ATOM 0 HB ILE A 60 4.154 -3.957 2.224 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.921 -4.642 3.257 1.00 0.00 H new ATOM 0 HG13 ILE A 60 6.415 -4.828 1.589 1.00 0.00 H new ATOM 0 HG21 ILE A 60 4.796 -2.720 4.248 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.469 -3.864 4.556 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.123 -4.258 5.080 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.578 -2.669 1.917 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.877 -2.398 1.468 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.391 -2.210 3.161 1.00 0.00 H new ATOM 879 N ILE A 61 2.141 -5.807 3.764 1.00 0.00 N ATOM 880 CA ILE A 61 1.024 -6.050 4.661 1.00 0.00 C ATOM 881 C ILE A 61 0.758 -7.555 4.740 1.00 0.00 C ATOM 882 O ILE A 61 0.517 -8.090 5.821 1.00 0.00 O ATOM 883 CB ILE A 61 -0.196 -5.232 4.232 1.00 0.00 C ATOM 884 CG1 ILE A 61 0.162 -3.752 4.081 1.00 0.00 C ATOM 885 CG2 ILE A 61 -1.365 -5.444 5.197 1.00 0.00 C ATOM 886 CD1 ILE A 61 -0.730 -3.076 3.038 1.00 0.00 C ATOM 0 H ILE A 61 1.908 -5.267 2.930 1.00 0.00 H new ATOM 0 HA ILE A 61 1.265 -5.714 5.670 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.518 -5.587 3.253 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.052 -3.248 5.041 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.208 -3.655 3.788 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.219 -4.852 4.869 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.639 -6.499 5.211 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.071 -5.133 6.199 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.455 -2.025 2.950 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.599 -3.567 2.074 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.773 -3.153 3.346 1.00 0.00 H new ATOM 898 N GLY A 62 0.811 -8.195 3.581 1.00 0.00 N ATOM 899 CA GLY A 62 0.579 -9.627 3.506 1.00 0.00 C ATOM 900 C GLY A 62 1.512 -10.385 4.453 1.00 0.00 C ATOM 901 O GLY A 62 1.126 -11.400 5.031 1.00 0.00 O ATOM 0 H GLY A 62 1.011 -7.748 2.686 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -0.458 -9.845 3.761 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.735 -9.971 2.484 1.00 0.00 H new ATOM 905 N VAL A 63 2.722 -9.861 4.584 1.00 0.00 N ATOM 906 CA VAL A 63 3.713 -10.475 5.451 1.00 0.00 C ATOM 907 C VAL A 63 3.320 -10.243 6.912 1.00 0.00 C ATOM 908 O VAL A 63 3.557 -11.097 7.765 1.00 0.00 O ATOM 909 CB VAL A 63 5.106 -9.940 5.115 1.00 0.00 C ATOM 910 CG1 VAL A 63 6.063 -10.122 6.295 1.00 0.00 C ATOM 911 CG2 VAL A 63 5.659 -10.604 3.852 1.00 0.00 C ATOM 0 H VAL A 63 3.038 -9.018 4.104 1.00 0.00 H new ATOM 0 HA VAL A 63 3.746 -11.553 5.290 1.00 0.00 H new ATOM 0 HB VAL A 63 5.016 -8.872 4.919 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.046 -9.733 6.029 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.681 -9.581 7.160 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.145 -11.182 6.537 1.00 0.00 H new ATOM 0 HG21 VAL A 63 6.650 -10.206 3.636 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.727 -11.681 4.007 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.995 -10.399 3.013 1.00 0.00 H new ATOM 921 N VAL A 64 2.726 -9.084 7.154 1.00 0.00 N ATOM 922 CA VAL A 64 2.298 -8.729 8.497 1.00 0.00 C ATOM 923 C VAL A 64 1.251 -9.736 8.977 1.00 0.00 C ATOM 924 O VAL A 64 1.371 -10.288 10.069 1.00 0.00 O ATOM 925 CB VAL A 64 1.793 -7.285 8.521 1.00 0.00 C ATOM 926 CG1 VAL A 64 1.116 -6.963 9.854 1.00 0.00 C ATOM 927 CG2 VAL A 64 2.930 -6.302 8.231 1.00 0.00 C ATOM 0 H VAL A 64 2.531 -8.379 6.443 1.00 0.00 H new ATOM 0 HA VAL A 64 3.138 -8.777 9.190 1.00 0.00 H new ATOM 0 HB VAL A 64 1.048 -7.177 7.733 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.766 -5.931 9.844 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.268 -7.632 10.002 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.830 -7.097 10.666 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.544 -5.283 8.254 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.708 -6.413 8.986 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.348 -6.510 7.246 1.00 0.00 H new ATOM 937 N PHE A 65 0.248 -9.945 8.136 1.00 0.00 N ATOM 938 CA PHE A 65 -0.819 -10.876 8.461 1.00 0.00 C ATOM 939 C PHE A 65 -0.259 -12.265 8.772 1.00 0.00 C ATOM 940 O PHE A 65 -0.686 -12.911 9.728 1.00 0.00 O ATOM 941 CB PHE A 65 -1.722 -10.968 7.229 1.00 0.00 C ATOM 942 CG PHE A 65 -1.851 -12.380 6.656 1.00 0.00 C ATOM 943 CD1 PHE A 65 -2.372 -13.379 7.418 1.00 0.00 C ATOM 944 CD2 PHE A 65 -1.444 -12.637 5.384 1.00 0.00 C ATOM 945 CE1 PHE A 65 -2.492 -14.690 6.885 1.00 0.00 C ATOM 946 CE2 PHE A 65 -1.563 -13.948 4.851 1.00 0.00 C ATOM 947 CZ PHE A 65 -2.085 -14.947 5.613 1.00 0.00 C ATOM 0 H PHE A 65 0.152 -9.485 7.230 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.362 -10.528 9.339 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.715 -10.601 7.491 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.332 -10.307 6.455 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.694 -13.175 8.428 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -1.030 -11.844 4.779 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -2.907 -15.483 7.490 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.239 -14.152 3.841 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.176 -15.944 5.208 1.00 0.00 H new ATOM 957 N SER A 66 0.689 -12.685 7.947 1.00 0.00 N ATOM 958 CA SER A 66 1.312 -13.986 8.122 1.00 0.00 C ATOM 959 C SER A 66 2.024 -14.047 9.475 1.00 0.00 C ATOM 960 O SER A 66 1.833 -14.992 10.239 1.00 0.00 O ATOM 961 CB SER A 66 2.298 -14.281 6.990 1.00 0.00 C ATOM 962 OG SER A 66 3.630 -13.905 7.329 1.00 0.00 O ATOM 0 H SER A 66 1.041 -12.147 7.155 1.00 0.00 H new ATOM 0 HA SER A 66 0.531 -14.746 8.095 1.00 0.00 H new ATOM 0 HB2 SER A 66 2.271 -15.345 6.754 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.988 -13.747 6.092 1.00 0.00 H new ATOM 0 HG SER A 66 3.691 -12.928 7.381 1.00 0.00 H new ATOM 968 N PHE A 67 2.831 -13.027 9.730 1.00 0.00 N ATOM 969 CA PHE A 67 3.572 -12.953 10.977 1.00 0.00 C ATOM 970 C PHE A 67 2.640 -13.116 12.180 1.00 0.00 C ATOM 971 O PHE A 67 3.023 -13.700 13.192 1.00 0.00 O ATOM 972 CB PHE A 67 4.218 -11.567 11.032 1.00 0.00 C ATOM 973 CG PHE A 67 5.744 -11.596 11.145 1.00 0.00 C ATOM 974 CD1 PHE A 67 6.333 -11.709 12.365 1.00 0.00 C ATOM 975 CD2 PHE A 67 6.510 -11.508 10.025 1.00 0.00 C ATOM 976 CE1 PHE A 67 7.749 -11.735 12.470 1.00 0.00 C ATOM 977 CE2 PHE A 67 7.926 -11.534 10.129 1.00 0.00 C ATOM 978 CZ PHE A 67 8.516 -11.647 11.349 1.00 0.00 C ATOM 0 H PHE A 67 2.988 -12.245 9.094 1.00 0.00 H new ATOM 0 HA PHE A 67 4.314 -13.750 11.016 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.941 -11.012 10.136 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.811 -11.021 11.883 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.724 -11.779 13.254 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.041 -11.418 9.056 1.00 0.00 H new ATOM 0 HE1 PHE A 67 8.217 -11.825 13.439 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.534 -11.464 9.239 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.593 -11.667 11.428 1.00 0.00 H new ATOM 988 N ILE A 68 1.434 -12.589 12.029 1.00 0.00 N ATOM 989 CA ILE A 68 0.444 -12.669 13.089 1.00 0.00 C ATOM 990 C ILE A 68 0.174 -14.138 13.419 1.00 0.00 C ATOM 991 O ILE A 68 0.291 -14.551 14.572 1.00 0.00 O ATOM 992 CB ILE A 68 -0.813 -11.883 12.710 1.00 0.00 C ATOM 993 CG1 ILE A 68 -0.774 -10.471 13.298 1.00 0.00 C ATOM 994 CG2 ILE A 68 -2.078 -12.640 13.119 1.00 0.00 C ATOM 995 CD1 ILE A 68 0.516 -9.748 12.905 1.00 0.00 C ATOM 0 H ILE A 68 1.120 -12.105 11.188 1.00 0.00 H new ATOM 0 HA ILE A 68 0.822 -12.201 13.998 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.837 -11.780 11.625 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.635 -9.903 12.946 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.849 -10.523 14.384 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -2.956 -12.059 12.838 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -2.104 -13.605 12.613 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -2.076 -12.796 14.198 1.00 0.00 H new ATOM 0 HD11 ILE A 68 0.518 -8.747 13.336 1.00 0.00 H new ATOM 0 HD12 ILE A 68 1.374 -10.306 13.279 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.576 -9.676 11.819 1.00 0.00 H new ATOM 1007 N TYR A 69 -0.183 -14.888 12.386 1.00 0.00 N ATOM 1008 CA TYR A 69 -0.471 -16.302 12.552 1.00 0.00 C ATOM 1009 C TYR A 69 0.618 -16.990 13.378 1.00 0.00 C ATOM 1010 O TYR A 69 0.319 -17.717 14.324 1.00 0.00 O ATOM 1011 CB TYR A 69 -0.479 -16.899 11.143 1.00 0.00 C ATOM 1012 CG TYR A 69 -1.243 -18.220 11.031 1.00 0.00 C ATOM 1013 CD1 TYR A 69 -0.868 -19.301 11.803 1.00 0.00 C ATOM 1014 CD2 TYR A 69 -2.306 -18.330 10.159 1.00 0.00 C ATOM 1015 CE1 TYR A 69 -1.587 -20.544 11.698 1.00 0.00 C ATOM 1016 CE2 TYR A 69 -3.025 -19.573 10.054 1.00 0.00 C ATOM 1017 CZ TYR A 69 -2.630 -20.619 10.828 1.00 0.00 C ATOM 1018 OH TYR A 69 -3.309 -21.793 10.729 1.00 0.00 O ATOM 0 H TYR A 69 -0.279 -14.542 11.431 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.419 -16.442 13.071 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -0.920 -16.177 10.456 1.00 0.00 H new ATOM 0 HB3 TYR A 69 0.550 -17.058 10.821 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -0.036 -19.214 12.486 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -2.599 -17.484 9.555 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -1.305 -21.398 12.296 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -3.859 -19.672 9.376 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.029 -21.700 10.070 1.00 0.00 H new ATOM 1028 N LEU A 70 1.860 -16.737 12.990 1.00 0.00 N ATOM 1029 CA LEU A 70 2.995 -17.323 13.682 1.00 0.00 C ATOM 1030 C LEU A 70 2.874 -17.040 15.181 1.00 0.00 C ATOM 1031 O LEU A 70 3.463 -17.745 15.999 1.00 0.00 O ATOM 1032 CB LEU A 70 4.308 -16.834 13.068 1.00 0.00 C ATOM 1033 CG LEU A 70 5.403 -17.888 12.899 1.00 0.00 C ATOM 1034 CD1 LEU A 70 5.294 -18.579 11.538 1.00 0.00 C ATOM 1035 CD2 LEU A 70 6.789 -17.280 13.123 1.00 0.00 C ATOM 0 H LEU A 70 2.105 -16.134 12.205 1.00 0.00 H new ATOM 0 HA LEU A 70 2.997 -18.406 13.560 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.091 -16.404 12.090 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.699 -16.029 13.690 1.00 0.00 H new ATOM 0 HG LEU A 70 5.260 -18.654 13.662 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.084 -19.324 11.444 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.323 -19.068 11.455 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.397 -17.839 10.745 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.549 -18.051 12.997 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.958 -16.482 12.400 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.849 -16.873 14.132 1.00 0.00 H new ATOM 1047 N GLY A 71 2.106 -16.007 15.496 1.00 0.00 N ATOM 1048 CA GLY A 71 1.900 -15.622 16.881 1.00 0.00 C ATOM 1049 C GLY A 71 2.535 -14.261 17.172 1.00 0.00 C ATOM 1050 O GLY A 71 2.794 -13.927 18.328 1.00 0.00 O ATOM 0 H GLY A 71 1.619 -15.425 14.815 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.832 -15.583 17.096 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.330 -16.376 17.540 1.00 0.00 H new ATOM 1054 N ARG A 72 2.767 -13.512 16.105 1.00 0.00 N ATOM 1055 CA ARG A 72 3.366 -12.194 16.231 1.00 0.00 C ATOM 1056 C ARG A 72 3.192 -11.405 14.931 1.00 0.00 C ATOM 1057 O ARG A 72 2.492 -10.395 14.903 1.00 0.00 O ATOM 1058 CB ARG A 72 4.856 -12.296 16.562 1.00 0.00 C ATOM 1059 CG ARG A 72 5.603 -13.092 15.491 1.00 0.00 C ATOM 1060 CD ARG A 72 5.917 -14.508 15.979 1.00 0.00 C ATOM 1061 NE ARG A 72 7.234 -14.530 16.654 1.00 0.00 N ATOM 1062 CZ ARG A 72 7.776 -15.623 17.208 1.00 0.00 C ATOM 1063 NH1 ARG A 72 7.118 -16.790 17.171 1.00 0.00 N ATOM 1064 NH2 ARG A 72 8.976 -15.550 17.799 1.00 0.00 N ATOM 0 H ARG A 72 2.551 -13.792 15.148 1.00 0.00 H new ATOM 0 HA ARG A 72 2.859 -11.676 17.045 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.284 -11.297 16.641 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.984 -12.776 17.532 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.001 -13.141 14.584 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.529 -12.579 15.232 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.141 -14.845 16.666 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.919 -15.200 15.137 1.00 0.00 H new ATOM 0 HE ARG A 72 7.762 -13.659 16.700 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.204 -16.846 16.721 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.531 -17.622 17.593 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.477 -14.662 17.827 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.388 -16.382 18.221 1.00 0.00 H new TER 1078 ARG A 72