USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 950 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 THR OG1 : rot 180:sc= 0.385 USER MOD Set 1.2: A 79 THR OG1 : rot 106:sc= 0.404 USER MOD Set 2.1: A 60 LYS NZ :NH3+ -126:sc= 0.728 (180deg=-0.485) USER MOD Set 2.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.0674 (180deg=0) USER MOD Single : A 2 SER OG : rot 61:sc= 0.0756 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.628 X(o=-0.63,f=-0.48) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -4.3! X(o=-4.3!,f=-4.1) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0163 USER MOD Single : A 34 TYR OH : rot 106:sc= 1.28 USER MOD Single : A 37 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00344) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 43 ASN : amide:sc= -0.0404 X(o=-0.04,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.31 X(o=-0.31,f=-0.31) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.611 USER MOD Single : A 67 THR OG1 : rot 11:sc= 0.585 USER MOD Single : A 68 SER OG : rot 56:sc= 0.45 USER MOD Single : A 71 HIS : no HD1:sc= -0.0588 X(o=-0.059,f=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.0634 K(o=-0.063,f=-1.6!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 99:sc= 0.21 USER MOD Single : A 97 SER OG : rot 180:sc= -0.499 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 ASN : amide:sc= -0.123 K(o=-0.12,f=-1.8) USER MOD Single : A 103 MET CE :methyl 176:sc= -1.18 (180deg=-1.26) USER MOD Single : A 104 LYS NZ :NH3+ -148:sc= -0.167 (180deg=-1.38!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 56.882 -3.720 20.401 1.00 0.00 N ATOM 2 CA GLY A 1 56.150 -4.918 20.033 1.00 0.00 C ATOM 3 C GLY A 1 55.149 -5.335 21.092 1.00 0.00 C ATOM 4 O GLY A 1 54.796 -4.545 21.967 1.00 0.00 O ATOM 0 H1 GLY A 1 56.996 -3.112 19.565 1.00 0.00 H new ATOM 0 H2 GLY A 1 56.357 -3.204 21.135 1.00 0.00 H new ATOM 0 H3 GLY A 1 57.819 -3.984 20.767 1.00 0.00 H new ATOM 0 HA2 GLY A 1 55.628 -4.746 19.092 1.00 0.00 H new ATOM 0 HA3 GLY A 1 56.854 -5.732 19.863 1.00 0.00 H new ATOM 8 N SER A 2 54.689 -6.580 21.013 1.00 0.00 N ATOM 9 CA SER A 2 53.719 -7.098 21.969 1.00 0.00 C ATOM 10 C SER A 2 52.734 -6.011 22.388 1.00 0.00 C ATOM 11 O SER A 2 52.396 -5.884 23.565 1.00 0.00 O ATOM 12 CB SER A 2 54.433 -7.657 23.201 1.00 0.00 C ATOM 13 OG SER A 2 55.005 -6.617 23.975 1.00 0.00 O ATOM 0 H SER A 2 54.973 -7.248 20.296 1.00 0.00 H new ATOM 0 HA SER A 2 53.163 -7.901 21.485 1.00 0.00 H new ATOM 0 HB2 SER A 2 53.726 -8.221 23.810 1.00 0.00 H new ATOM 0 HB3 SER A 2 55.212 -8.353 22.889 1.00 0.00 H new ATOM 0 HG SER A 2 54.298 -6.013 24.285 1.00 0.00 H new ATOM 19 N SER A 3 52.278 -5.227 21.416 1.00 0.00 N ATOM 20 CA SER A 3 51.336 -4.147 21.683 1.00 0.00 C ATOM 21 C SER A 3 50.202 -4.151 20.662 1.00 0.00 C ATOM 22 O SER A 3 50.374 -3.716 19.524 1.00 0.00 O ATOM 23 CB SER A 3 52.054 -2.797 21.658 1.00 0.00 C ATOM 24 OG SER A 3 51.408 -1.860 22.502 1.00 0.00 O ATOM 0 H SER A 3 52.546 -5.320 20.436 1.00 0.00 H new ATOM 0 HA SER A 3 50.911 -4.306 22.674 1.00 0.00 H new ATOM 0 HB2 SER A 3 53.088 -2.926 21.977 1.00 0.00 H new ATOM 0 HB3 SER A 3 52.080 -2.414 20.638 1.00 0.00 H new ATOM 0 HG SER A 3 51.887 -1.006 22.470 1.00 0.00 H new ATOM 30 N GLY A 4 49.040 -4.647 21.079 1.00 0.00 N ATOM 31 CA GLY A 4 47.894 -4.699 20.190 1.00 0.00 C ATOM 32 C GLY A 4 47.259 -3.338 19.982 1.00 0.00 C ATOM 33 O GLY A 4 46.886 -2.667 20.944 1.00 0.00 O ATOM 0 H GLY A 4 48.872 -5.013 22.016 1.00 0.00 H new ATOM 0 HA2 GLY A 4 48.204 -5.103 19.226 1.00 0.00 H new ATOM 0 HA3 GLY A 4 47.152 -5.384 20.599 1.00 0.00 H new ATOM 37 N SER A 5 47.138 -2.930 18.723 1.00 0.00 N ATOM 38 CA SER A 5 46.548 -1.638 18.393 1.00 0.00 C ATOM 39 C SER A 5 45.090 -1.797 17.974 1.00 0.00 C ATOM 40 O SER A 5 44.747 -2.701 17.212 1.00 0.00 O ATOM 41 CB SER A 5 47.342 -0.963 17.272 1.00 0.00 C ATOM 42 OG SER A 5 47.028 -1.531 16.012 1.00 0.00 O ATOM 0 H SER A 5 47.440 -3.475 17.915 1.00 0.00 H new ATOM 0 HA SER A 5 46.585 -1.011 19.284 1.00 0.00 H new ATOM 0 HB2 SER A 5 47.122 0.105 17.258 1.00 0.00 H new ATOM 0 HB3 SER A 5 48.410 -1.066 17.465 1.00 0.00 H new ATOM 0 HG SER A 5 47.547 -1.082 15.312 1.00 0.00 H new ATOM 48 N SER A 6 44.236 -0.912 18.478 1.00 0.00 N ATOM 49 CA SER A 6 42.814 -0.955 18.160 1.00 0.00 C ATOM 50 C SER A 6 42.532 -0.258 16.832 1.00 0.00 C ATOM 51 O SER A 6 41.885 -0.819 15.948 1.00 0.00 O ATOM 52 CB SER A 6 42.000 -0.298 19.276 1.00 0.00 C ATOM 53 OG SER A 6 40.680 -0.013 18.845 1.00 0.00 O ATOM 0 H SER A 6 44.504 -0.156 19.108 1.00 0.00 H new ATOM 0 HA SER A 6 42.519 -2.001 18.071 1.00 0.00 H new ATOM 0 HB2 SER A 6 41.968 -0.957 20.144 1.00 0.00 H new ATOM 0 HB3 SER A 6 42.489 0.623 19.593 1.00 0.00 H new ATOM 0 HG SER A 6 40.180 0.405 19.577 1.00 0.00 H new ATOM 59 N GLY A 7 43.024 0.970 16.699 1.00 0.00 N ATOM 60 CA GLY A 7 42.816 1.724 15.477 1.00 0.00 C ATOM 61 C GLY A 7 43.833 2.834 15.300 1.00 0.00 C ATOM 62 O GLY A 7 44.610 3.126 16.210 1.00 0.00 O ATOM 0 H GLY A 7 43.563 1.456 17.416 1.00 0.00 H new ATOM 0 HA2 GLY A 7 42.868 1.048 14.623 1.00 0.00 H new ATOM 0 HA3 GLY A 7 41.813 2.152 15.484 1.00 0.00 H new ATOM 66 N THR A 8 43.832 3.454 14.124 1.00 0.00 N ATOM 67 CA THR A 8 44.764 4.536 13.829 1.00 0.00 C ATOM 68 C THR A 8 44.066 5.890 13.875 1.00 0.00 C ATOM 69 O THR A 8 42.935 6.033 13.409 1.00 0.00 O ATOM 70 CB THR A 8 45.416 4.354 12.446 1.00 0.00 C ATOM 71 OG1 THR A 8 45.478 2.962 12.112 1.00 0.00 O ATOM 72 CG2 THR A 8 46.816 4.948 12.425 1.00 0.00 C ATOM 0 H THR A 8 43.196 3.225 13.360 1.00 0.00 H new ATOM 0 HA THR A 8 45.539 4.504 14.595 1.00 0.00 H new ATOM 0 HB THR A 8 44.805 4.877 11.710 1.00 0.00 H new ATOM 0 HG1 THR A 8 45.892 2.855 11.230 1.00 0.00 H new ATOM 0 HG21 THR A 8 47.256 4.807 11.438 1.00 0.00 H new ATOM 0 HG22 THR A 8 46.763 6.013 12.650 1.00 0.00 H new ATOM 0 HG23 THR A 8 47.434 4.450 13.172 1.00 0.00 H new ATOM 80 N LEU A 9 44.746 6.882 14.439 1.00 0.00 N ATOM 81 CA LEU A 9 44.191 8.227 14.545 1.00 0.00 C ATOM 82 C LEU A 9 42.997 8.250 15.494 1.00 0.00 C ATOM 83 O LEU A 9 42.021 8.962 15.262 1.00 0.00 O ATOM 84 CB LEU A 9 43.770 8.736 13.165 1.00 0.00 C ATOM 85 CG LEU A 9 43.791 10.254 12.975 1.00 0.00 C ATOM 86 CD1 LEU A 9 44.101 10.606 11.529 1.00 0.00 C ATOM 87 CD2 LEU A 9 42.462 10.862 13.401 1.00 0.00 C ATOM 0 H LEU A 9 45.683 6.780 14.830 1.00 0.00 H new ATOM 0 HA LEU A 9 44.964 8.882 14.947 1.00 0.00 H new ATOM 0 HB2 LEU A 9 44.425 8.287 12.419 1.00 0.00 H new ATOM 0 HB3 LEU A 9 42.761 8.378 12.960 1.00 0.00 H new ATOM 0 HG LEU A 9 44.577 10.670 13.605 1.00 0.00 H new ATOM 0 HD11 LEU A 9 44.112 11.690 11.413 1.00 0.00 H new ATOM 0 HD12 LEU A 9 45.076 10.202 11.257 1.00 0.00 H new ATOM 0 HD13 LEU A 9 43.337 10.179 10.879 1.00 0.00 H new ATOM 0 HD21 LEU A 9 42.494 11.942 13.259 1.00 0.00 H new ATOM 0 HD22 LEU A 9 41.659 10.440 12.797 1.00 0.00 H new ATOM 0 HD23 LEU A 9 42.280 10.639 14.452 1.00 0.00 H new ATOM 99 N ALA A 10 43.084 7.468 16.565 1.00 0.00 N ATOM 100 CA ALA A 10 42.013 7.402 17.551 1.00 0.00 C ATOM 101 C ALA A 10 40.685 7.034 16.897 1.00 0.00 C ATOM 102 O ALA A 10 39.634 7.553 17.271 1.00 0.00 O ATOM 103 CB ALA A 10 41.891 8.727 18.288 1.00 0.00 C ATOM 0 H ALA A 10 43.885 6.871 16.772 1.00 0.00 H new ATOM 0 HA ALA A 10 42.263 6.621 18.269 1.00 0.00 H new ATOM 0 HB1 ALA A 10 41.087 8.663 19.021 1.00 0.00 H new ATOM 0 HB2 ALA A 10 42.829 8.948 18.797 1.00 0.00 H new ATOM 0 HB3 ALA A 10 41.669 9.521 17.575 1.00 0.00 H new ATOM 109 N GLN A 11 40.742 6.137 15.917 1.00 0.00 N ATOM 110 CA GLN A 11 39.543 5.702 15.210 1.00 0.00 C ATOM 111 C GLN A 11 39.701 4.274 14.699 1.00 0.00 C ATOM 112 O GLN A 11 40.752 3.884 14.190 1.00 0.00 O ATOM 113 CB GLN A 11 39.244 6.644 14.043 1.00 0.00 C ATOM 114 CG GLN A 11 38.954 8.073 14.474 1.00 0.00 C ATOM 115 CD GLN A 11 39.024 9.056 13.321 1.00 0.00 C ATOM 116 OE1 GLN A 11 38.793 8.694 12.167 1.00 0.00 O ATOM 117 NE2 GLN A 11 39.344 10.307 13.629 1.00 0.00 N ATOM 0 H GLN A 11 41.605 5.698 15.595 1.00 0.00 H new ATOM 0 HA GLN A 11 38.709 5.727 15.911 1.00 0.00 H new ATOM 0 HB2 GLN A 11 40.094 6.644 13.360 1.00 0.00 H new ATOM 0 HB3 GLN A 11 38.389 6.260 13.487 1.00 0.00 H new ATOM 0 HG2 GLN A 11 37.963 8.118 14.925 1.00 0.00 H new ATOM 0 HG3 GLN A 11 39.668 8.369 15.243 1.00 0.00 H new ATOM 0 HE21 GLN A 11 39.527 10.562 14.599 1.00 0.00 H new ATOM 0 HE22 GLN A 11 39.407 11.013 12.895 1.00 0.00 H new ATOM 126 N PRO A 12 38.633 3.474 14.837 1.00 0.00 N ATOM 127 CA PRO A 12 38.628 2.077 14.395 1.00 0.00 C ATOM 128 C PRO A 12 38.650 1.949 12.875 1.00 0.00 C ATOM 129 O PRO A 12 38.355 2.905 12.158 1.00 0.00 O ATOM 130 CB PRO A 12 37.314 1.530 14.958 1.00 0.00 C ATOM 131 CG PRO A 12 36.436 2.726 15.097 1.00 0.00 C ATOM 132 CD PRO A 12 37.348 3.873 15.435 1.00 0.00 C ATOM 0 HA PRO A 12 39.511 1.539 14.739 1.00 0.00 H new ATOM 0 HB2 PRO A 12 36.874 0.791 14.289 1.00 0.00 H new ATOM 0 HB3 PRO A 12 37.469 1.038 15.918 1.00 0.00 H new ATOM 0 HG2 PRO A 12 35.892 2.920 14.173 1.00 0.00 H new ATOM 0 HG3 PRO A 12 35.692 2.575 15.879 1.00 0.00 H new ATOM 0 HD2 PRO A 12 36.985 4.812 15.017 1.00 0.00 H new ATOM 0 HD3 PRO A 12 37.433 4.015 16.512 1.00 0.00 H new ATOM 140 N VAL A 13 39.001 0.763 12.390 1.00 0.00 N ATOM 141 CA VAL A 13 39.060 0.510 10.955 1.00 0.00 C ATOM 142 C VAL A 13 37.662 0.346 10.369 1.00 0.00 C ATOM 143 O VAL A 13 36.898 -0.524 10.789 1.00 0.00 O ATOM 144 CB VAL A 13 39.888 -0.750 10.641 1.00 0.00 C ATOM 145 CG1 VAL A 13 39.829 -1.070 9.155 1.00 0.00 C ATOM 146 CG2 VAL A 13 41.327 -0.569 11.099 1.00 0.00 C ATOM 0 H VAL A 13 39.249 -0.039 12.970 1.00 0.00 H new ATOM 0 HA VAL A 13 39.543 1.375 10.500 1.00 0.00 H new ATOM 0 HB VAL A 13 39.460 -1.591 11.187 1.00 0.00 H new ATOM 0 HG11 VAL A 13 40.420 -1.963 8.951 1.00 0.00 H new ATOM 0 HG12 VAL A 13 38.794 -1.245 8.861 1.00 0.00 H new ATOM 0 HG13 VAL A 13 40.231 -0.232 8.586 1.00 0.00 H new ATOM 0 HG21 VAL A 13 41.898 -1.469 10.869 1.00 0.00 H new ATOM 0 HG22 VAL A 13 41.769 0.283 10.582 1.00 0.00 H new ATOM 0 HG23 VAL A 13 41.347 -0.391 12.174 1.00 0.00 H new ATOM 156 N THR A 14 37.333 1.187 9.394 1.00 0.00 N ATOM 157 CA THR A 14 36.027 1.137 8.749 1.00 0.00 C ATOM 158 C THR A 14 35.586 -0.303 8.513 1.00 0.00 C ATOM 159 O THR A 14 36.307 -1.091 7.900 1.00 0.00 O ATOM 160 CB THR A 14 36.036 1.886 7.403 1.00 0.00 C ATOM 161 OG1 THR A 14 36.429 3.248 7.603 1.00 0.00 O ATOM 162 CG2 THR A 14 34.663 1.840 6.749 1.00 0.00 C ATOM 0 H THR A 14 37.954 1.912 9.033 1.00 0.00 H new ATOM 0 HA THR A 14 35.323 1.625 9.423 1.00 0.00 H new ATOM 0 HB THR A 14 36.752 1.395 6.744 1.00 0.00 H new ATOM 0 HG1 THR A 14 36.434 3.717 6.742 1.00 0.00 H new ATOM 0 HG21 THR A 14 34.694 2.375 5.800 1.00 0.00 H new ATOM 0 HG22 THR A 14 34.379 0.803 6.571 1.00 0.00 H new ATOM 0 HG23 THR A 14 33.931 2.309 7.406 1.00 0.00 H new ATOM 170 N ILE A 15 34.397 -0.640 9.003 1.00 0.00 N ATOM 171 CA ILE A 15 33.860 -1.986 8.843 1.00 0.00 C ATOM 172 C ILE A 15 32.805 -2.030 7.743 1.00 0.00 C ATOM 173 O ILE A 15 32.210 -1.008 7.399 1.00 0.00 O ATOM 174 CB ILE A 15 33.240 -2.504 10.154 1.00 0.00 C ATOM 175 CG1 ILE A 15 34.177 -2.227 11.332 1.00 0.00 C ATOM 176 CG2 ILE A 15 32.940 -3.991 10.048 1.00 0.00 C ATOM 177 CD1 ILE A 15 35.574 -2.770 11.132 1.00 0.00 C ATOM 0 H ILE A 15 33.788 -0.000 9.513 1.00 0.00 H new ATOM 0 HA ILE A 15 34.696 -2.628 8.567 1.00 0.00 H new ATOM 0 HB ILE A 15 32.302 -1.976 10.328 1.00 0.00 H new ATOM 0 HG12 ILE A 15 34.234 -1.151 11.495 1.00 0.00 H new ATOM 0 HG13 ILE A 15 33.752 -2.664 12.235 1.00 0.00 H new ATOM 0 HG21 ILE A 15 32.502 -4.341 10.983 1.00 0.00 H new ATOM 0 HG22 ILE A 15 32.238 -4.163 9.232 1.00 0.00 H new ATOM 0 HG23 ILE A 15 33.864 -4.536 9.853 1.00 0.00 H new ATOM 0 HD11 ILE A 15 36.183 -2.537 12.005 1.00 0.00 H new ATOM 0 HD12 ILE A 15 35.529 -3.851 10.999 1.00 0.00 H new ATOM 0 HD13 ILE A 15 36.019 -2.314 10.248 1.00 0.00 H new ATOM 189 N ARG A 16 32.577 -3.219 7.196 1.00 0.00 N ATOM 190 CA ARG A 16 31.593 -3.397 6.135 1.00 0.00 C ATOM 191 C ARG A 16 30.220 -3.722 6.716 1.00 0.00 C ATOM 192 O ARG A 16 29.389 -4.345 6.056 1.00 0.00 O ATOM 193 CB ARG A 16 32.033 -4.510 5.183 1.00 0.00 C ATOM 194 CG ARG A 16 31.603 -4.286 3.743 1.00 0.00 C ATOM 195 CD ARG A 16 31.381 -5.603 3.016 1.00 0.00 C ATOM 196 NE ARG A 16 32.609 -6.107 2.408 1.00 0.00 N ATOM 197 CZ ARG A 16 32.664 -7.208 1.667 1.00 0.00 C ATOM 198 NH1 ARG A 16 31.566 -7.916 1.443 1.00 0.00 N ATOM 199 NH2 ARG A 16 33.820 -7.603 1.148 1.00 0.00 N ATOM 0 H ARG A 16 33.061 -4.074 7.470 1.00 0.00 H new ATOM 0 HA ARG A 16 31.521 -2.462 5.580 1.00 0.00 H new ATOM 0 HB2 ARG A 16 33.119 -4.599 5.219 1.00 0.00 H new ATOM 0 HB3 ARG A 16 31.624 -5.458 5.532 1.00 0.00 H new ATOM 0 HG2 ARG A 16 30.685 -3.699 3.724 1.00 0.00 H new ATOM 0 HG3 ARG A 16 32.364 -3.705 3.221 1.00 0.00 H new ATOM 0 HD2 ARG A 16 30.993 -6.343 3.717 1.00 0.00 H new ATOM 0 HD3 ARG A 16 30.624 -5.468 2.244 1.00 0.00 H new ATOM 0 HE ARG A 16 33.472 -5.585 2.561 1.00 0.00 H new ATOM 0 HH11 ARG A 16 30.676 -7.616 1.840 1.00 0.00 H new ATOM 0 HH12 ARG A 16 31.611 -8.761 0.874 1.00 0.00 H new ATOM 0 HH21 ARG A 16 34.667 -7.061 1.318 1.00 0.00 H new ATOM 0 HH22 ARG A 16 33.861 -8.449 0.579 1.00 0.00 H new ATOM 213 N GLU A 17 29.991 -3.296 7.954 1.00 0.00 N ATOM 214 CA GLU A 17 28.719 -3.543 8.623 1.00 0.00 C ATOM 215 C GLU A 17 27.662 -2.540 8.170 1.00 0.00 C ATOM 216 O GLU A 17 27.983 -1.416 7.784 1.00 0.00 O ATOM 217 CB GLU A 17 28.893 -3.468 10.141 1.00 0.00 C ATOM 218 CG GLU A 17 29.174 -2.065 10.652 1.00 0.00 C ATOM 219 CD GLU A 17 29.134 -1.976 12.166 1.00 0.00 C ATOM 220 OE1 GLU A 17 28.105 -2.366 12.756 1.00 0.00 O ATOM 221 OE2 GLU A 17 30.133 -1.518 12.759 1.00 0.00 O ATOM 0 H GLU A 17 30.669 -2.779 8.514 1.00 0.00 H new ATOM 0 HA GLU A 17 28.384 -4.544 8.352 1.00 0.00 H new ATOM 0 HB2 GLU A 17 27.991 -3.847 10.621 1.00 0.00 H new ATOM 0 HB3 GLU A 17 29.711 -4.124 10.438 1.00 0.00 H new ATOM 0 HG2 GLU A 17 30.154 -1.743 10.299 1.00 0.00 H new ATOM 0 HG3 GLU A 17 28.441 -1.376 10.232 1.00 0.00 H new ATOM 228 N ILE A 18 26.401 -2.955 8.221 1.00 0.00 N ATOM 229 CA ILE A 18 25.296 -2.094 7.817 1.00 0.00 C ATOM 230 C ILE A 18 25.493 -0.671 8.330 1.00 0.00 C ATOM 231 O ILE A 18 25.979 -0.463 9.441 1.00 0.00 O ATOM 232 CB ILE A 18 23.947 -2.630 8.330 1.00 0.00 C ATOM 233 CG1 ILE A 18 23.672 -4.019 7.751 1.00 0.00 C ATOM 234 CG2 ILE A 18 22.824 -1.669 7.972 1.00 0.00 C ATOM 235 CD1 ILE A 18 22.616 -4.792 8.510 1.00 0.00 C ATOM 0 H ILE A 18 26.119 -3.882 8.538 1.00 0.00 H new ATOM 0 HA ILE A 18 25.284 -2.087 6.727 1.00 0.00 H new ATOM 0 HB ILE A 18 23.995 -2.713 9.416 1.00 0.00 H new ATOM 0 HG12 ILE A 18 23.358 -3.915 6.712 1.00 0.00 H new ATOM 0 HG13 ILE A 18 24.599 -4.593 7.748 1.00 0.00 H new ATOM 0 HG21 ILE A 18 21.877 -2.062 8.342 1.00 0.00 H new ATOM 0 HG22 ILE A 18 23.017 -0.698 8.428 1.00 0.00 H new ATOM 0 HG23 ILE A 18 22.772 -1.557 6.889 1.00 0.00 H new ATOM 0 HD11 ILE A 18 22.473 -5.767 8.044 1.00 0.00 H new ATOM 0 HD12 ILE A 18 22.936 -4.927 9.543 1.00 0.00 H new ATOM 0 HD13 ILE A 18 21.677 -4.239 8.491 1.00 0.00 H new ATOM 247 N ALA A 19 25.112 0.305 7.512 1.00 0.00 N ATOM 248 CA ALA A 19 25.243 1.708 7.884 1.00 0.00 C ATOM 249 C ALA A 19 24.022 2.185 8.664 1.00 0.00 C ATOM 250 O ALA A 19 24.150 2.903 9.655 1.00 0.00 O ATOM 251 CB ALA A 19 25.448 2.566 6.644 1.00 0.00 C ATOM 0 H ALA A 19 24.710 0.149 6.587 1.00 0.00 H new ATOM 0 HA ALA A 19 26.116 1.808 8.529 1.00 0.00 H new ATOM 0 HB1 ALA A 19 25.544 3.612 6.937 1.00 0.00 H new ATOM 0 HB2 ALA A 19 26.354 2.249 6.128 1.00 0.00 H new ATOM 0 HB3 ALA A 19 24.593 2.453 5.978 1.00 0.00 H new ATOM 257 N GLU A 20 22.840 1.783 8.208 1.00 0.00 N ATOM 258 CA GLU A 20 21.597 2.172 8.863 1.00 0.00 C ATOM 259 C GLU A 20 20.517 1.113 8.655 1.00 0.00 C ATOM 260 O GLU A 20 20.240 0.686 7.534 1.00 0.00 O ATOM 261 CB GLU A 20 21.113 3.521 8.329 1.00 0.00 C ATOM 262 CG GLU A 20 20.178 4.252 9.278 1.00 0.00 C ATOM 263 CD GLU A 20 20.907 4.865 10.457 1.00 0.00 C ATOM 264 OE1 GLU A 20 21.325 4.107 11.357 1.00 0.00 O ATOM 265 OE2 GLU A 20 21.061 6.105 10.480 1.00 0.00 O ATOM 0 H GLU A 20 22.717 1.189 7.388 1.00 0.00 H new ATOM 0 HA GLU A 20 21.793 2.262 9.932 1.00 0.00 H new ATOM 0 HB2 GLU A 20 21.978 4.153 8.126 1.00 0.00 H new ATOM 0 HB3 GLU A 20 20.603 3.364 7.379 1.00 0.00 H new ATOM 0 HG2 GLU A 20 19.653 5.036 8.733 1.00 0.00 H new ATOM 0 HG3 GLU A 20 19.422 3.557 9.644 1.00 0.00 H new ATOM 272 N PRO A 21 19.893 0.679 9.760 1.00 0.00 N ATOM 273 CA PRO A 21 18.835 -0.334 9.725 1.00 0.00 C ATOM 274 C PRO A 21 17.552 0.189 9.088 1.00 0.00 C ATOM 275 O PRO A 21 17.244 1.380 9.142 1.00 0.00 O ATOM 276 CB PRO A 21 18.604 -0.658 11.203 1.00 0.00 C ATOM 277 CG PRO A 21 19.040 0.567 11.931 1.00 0.00 C ATOM 278 CD PRO A 21 20.173 1.145 11.128 1.00 0.00 C ATOM 0 HA PRO A 21 19.119 -1.198 9.124 1.00 0.00 H new ATOM 0 HB2 PRO A 21 17.556 -0.884 11.400 1.00 0.00 H new ATOM 0 HB3 PRO A 21 19.181 -1.529 11.512 1.00 0.00 H new ATOM 0 HG2 PRO A 21 18.221 1.281 12.020 1.00 0.00 H new ATOM 0 HG3 PRO A 21 19.363 0.325 12.944 1.00 0.00 H new ATOM 0 HD2 PRO A 21 20.192 2.233 11.186 1.00 0.00 H new ATOM 0 HD3 PRO A 21 21.140 0.790 11.484 1.00 0.00 H new ATOM 286 N PRO A 22 16.784 -0.720 8.469 1.00 0.00 N ATOM 287 CA PRO A 22 15.521 -0.373 7.810 1.00 0.00 C ATOM 288 C PRO A 22 14.434 0.011 8.807 1.00 0.00 C ATOM 289 O PRO A 22 14.400 -0.493 9.930 1.00 0.00 O ATOM 290 CB PRO A 22 15.141 -1.659 7.072 1.00 0.00 C ATOM 291 CG PRO A 22 15.811 -2.747 7.838 1.00 0.00 C ATOM 292 CD PRO A 22 17.089 -2.157 8.364 1.00 0.00 C ATOM 0 HA PRO A 22 15.626 0.494 7.157 1.00 0.00 H new ATOM 0 HB2 PRO A 22 14.060 -1.798 7.050 1.00 0.00 H new ATOM 0 HB3 PRO A 22 15.481 -1.637 6.037 1.00 0.00 H new ATOM 0 HG2 PRO A 22 15.178 -3.097 8.654 1.00 0.00 H new ATOM 0 HG3 PRO A 22 16.012 -3.607 7.199 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.360 -2.582 9.331 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.925 -2.342 7.689 1.00 0.00 H new ATOM 300 N LYS A 23 13.544 0.906 8.391 1.00 0.00 N ATOM 301 CA LYS A 23 12.453 1.357 9.247 1.00 0.00 C ATOM 302 C LYS A 23 11.334 1.980 8.419 1.00 0.00 C ATOM 303 O LYS A 23 11.512 3.039 7.816 1.00 0.00 O ATOM 304 CB LYS A 23 12.967 2.369 10.273 1.00 0.00 C ATOM 305 CG LYS A 23 12.079 2.497 11.499 1.00 0.00 C ATOM 306 CD LYS A 23 10.629 2.735 11.114 1.00 0.00 C ATOM 307 CE LYS A 23 9.790 3.130 12.320 1.00 0.00 C ATOM 308 NZ LYS A 23 9.272 1.938 13.048 1.00 0.00 N ATOM 0 H LYS A 23 13.557 1.334 7.465 1.00 0.00 H new ATOM 0 HA LYS A 23 12.053 0.489 9.771 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.968 2.077 10.589 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.056 3.345 9.795 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.153 1.590 12.099 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.431 3.320 12.120 1.00 0.00 H new ATOM 0 HD2 LYS A 23 10.576 3.520 10.360 1.00 0.00 H new ATOM 0 HD3 LYS A 23 10.218 1.832 10.664 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.391 3.737 12.997 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.954 3.749 11.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.705 2.248 13.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.678 1.372 12.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.070 1.361 13.381 1.00 0.00 H new ATOM 322 N ILE A 24 10.183 1.318 8.395 1.00 0.00 N ATOM 323 CA ILE A 24 9.035 1.809 7.643 1.00 0.00 C ATOM 324 C ILE A 24 8.239 2.825 8.456 1.00 0.00 C ATOM 325 O ILE A 24 7.489 2.459 9.362 1.00 0.00 O ATOM 326 CB ILE A 24 8.101 0.658 7.225 1.00 0.00 C ATOM 327 CG1 ILE A 24 8.849 -0.336 6.333 1.00 0.00 C ATOM 328 CG2 ILE A 24 6.876 1.204 6.507 1.00 0.00 C ATOM 329 CD1 ILE A 24 8.029 -1.553 5.965 1.00 0.00 C ATOM 0 H ILE A 24 10.020 0.440 8.888 1.00 0.00 H new ATOM 0 HA ILE A 24 9.427 2.291 6.747 1.00 0.00 H new ATOM 0 HB ILE A 24 7.769 0.135 8.122 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.162 0.171 5.420 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.756 -0.660 6.844 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.226 0.378 6.218 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.334 1.877 7.172 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.189 1.748 5.616 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.622 -2.213 5.332 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.738 -2.084 6.872 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.135 -1.240 5.426 1.00 0.00 H new ATOM 341 N ARG A 25 8.405 4.101 8.125 1.00 0.00 N ATOM 342 CA ARG A 25 7.701 5.169 8.824 1.00 0.00 C ATOM 343 C ARG A 25 6.364 5.470 8.152 1.00 0.00 C ATOM 344 O ARG A 25 6.314 5.811 6.970 1.00 0.00 O ATOM 345 CB ARG A 25 8.560 6.435 8.862 1.00 0.00 C ATOM 346 CG ARG A 25 9.908 6.235 9.537 1.00 0.00 C ATOM 347 CD ARG A 25 10.373 7.503 10.237 1.00 0.00 C ATOM 348 NE ARG A 25 10.925 8.476 9.299 1.00 0.00 N ATOM 349 CZ ARG A 25 11.452 9.637 9.670 1.00 0.00 C ATOM 350 NH1 ARG A 25 11.499 9.968 10.953 1.00 0.00 N ATOM 351 NH2 ARG A 25 11.935 10.470 8.757 1.00 0.00 N ATOM 0 H ARG A 25 9.021 4.420 7.377 1.00 0.00 H new ATOM 0 HA ARG A 25 7.509 4.836 9.844 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.722 6.785 7.843 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.014 7.219 9.386 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.837 5.423 10.261 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.648 5.936 8.794 1.00 0.00 H new ATOM 0 HD2 ARG A 25 9.535 7.950 10.771 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.127 7.250 10.982 1.00 0.00 H new ATOM 0 HE ARG A 25 10.905 8.252 8.304 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.130 9.330 11.658 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.904 10.860 11.235 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.902 10.219 7.769 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.340 11.362 9.043 1.00 0.00 H new ATOM 365 N LEU A 26 5.284 5.340 8.914 1.00 0.00 N ATOM 366 CA LEU A 26 3.945 5.597 8.393 1.00 0.00 C ATOM 367 C LEU A 26 3.481 7.004 8.755 1.00 0.00 C ATOM 368 O LEU A 26 3.700 7.491 9.865 1.00 0.00 O ATOM 369 CB LEU A 26 2.957 4.565 8.940 1.00 0.00 C ATOM 370 CG LEU A 26 2.913 3.224 8.207 1.00 0.00 C ATOM 371 CD1 LEU A 26 2.293 2.153 9.091 1.00 0.00 C ATOM 372 CD2 LEU A 26 2.140 3.355 6.902 1.00 0.00 C ATOM 0 H LEU A 26 5.308 5.058 9.894 1.00 0.00 H new ATOM 0 HA LEU A 26 3.982 5.515 7.307 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.201 4.377 9.986 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.958 5.001 8.919 1.00 0.00 H new ATOM 0 HG LEU A 26 3.935 2.926 7.972 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.270 1.205 8.553 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.887 2.041 9.998 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.277 2.444 9.357 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.119 2.391 6.393 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.120 3.676 7.114 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.627 4.092 6.263 1.00 0.00 H new ATOM 384 N PRO A 27 2.822 7.675 7.799 1.00 0.00 N ATOM 385 CA PRO A 27 2.310 9.034 7.994 1.00 0.00 C ATOM 386 C PRO A 27 1.139 9.078 8.969 1.00 0.00 C ATOM 387 O PRO A 27 0.819 8.081 9.615 1.00 0.00 O ATOM 388 CB PRO A 27 1.855 9.447 6.592 1.00 0.00 C ATOM 389 CG PRO A 27 1.556 8.164 5.898 1.00 0.00 C ATOM 390 CD PRO A 27 2.525 7.157 6.453 1.00 0.00 C ATOM 0 HA PRO A 27 3.062 9.695 8.424 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.975 10.089 6.634 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.633 10.006 6.072 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.526 7.854 6.077 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.675 8.267 4.819 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.088 6.159 6.494 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.425 7.086 5.842 1.00 0.00 H new ATOM 398 N ARG A 28 0.502 10.240 9.070 1.00 0.00 N ATOM 399 CA ARG A 28 -0.634 10.414 9.967 1.00 0.00 C ATOM 400 C ARG A 28 -1.951 10.287 9.207 1.00 0.00 C ATOM 401 O ARG A 28 -3.029 10.300 9.803 1.00 0.00 O ATOM 402 CB ARG A 28 -0.562 11.776 10.659 1.00 0.00 C ATOM 403 CG ARG A 28 -1.513 11.912 11.837 1.00 0.00 C ATOM 404 CD ARG A 28 -1.675 13.365 12.256 1.00 0.00 C ATOM 405 NE ARG A 28 -2.769 13.541 13.208 1.00 0.00 N ATOM 406 CZ ARG A 28 -2.840 14.552 14.067 1.00 0.00 C ATOM 407 NH1 ARG A 28 -1.887 15.473 14.092 1.00 0.00 N ATOM 408 NH2 ARG A 28 -3.867 14.643 14.903 1.00 0.00 N ATOM 0 H ARG A 28 0.754 11.075 8.541 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.592 9.629 10.722 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.458 11.945 11.005 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.785 12.556 9.931 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.486 11.498 11.571 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -1.138 11.329 12.678 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.746 13.720 12.702 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.860 13.978 11.374 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.519 12.850 13.214 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.097 15.407 13.451 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.944 16.248 14.753 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.602 13.936 14.886 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.921 15.420 15.562 1.00 0.00 H new ATOM 422 N HIS A 29 -1.857 10.165 7.886 1.00 0.00 N ATOM 423 CA HIS A 29 -3.041 10.035 7.044 1.00 0.00 C ATOM 424 C HIS A 29 -3.281 8.577 6.664 1.00 0.00 C ATOM 425 O HIS A 29 -4.286 8.246 6.034 1.00 0.00 O ATOM 426 CB HIS A 29 -2.891 10.885 5.782 1.00 0.00 C ATOM 427 CG HIS A 29 -1.567 10.719 5.103 1.00 0.00 C ATOM 428 ND1 HIS A 29 -1.289 9.681 4.239 1.00 0.00 N ATOM 429 CD2 HIS A 29 -0.441 11.469 5.163 1.00 0.00 C ATOM 430 CE1 HIS A 29 -0.049 9.798 3.798 1.00 0.00 C ATOM 431 NE2 HIS A 29 0.488 10.875 4.344 1.00 0.00 N ATOM 0 H HIS A 29 -0.974 10.153 7.376 1.00 0.00 H new ATOM 0 HA HIS A 29 -3.901 10.390 7.612 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -3.685 10.624 5.082 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -3.028 11.935 6.042 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.300 12.367 5.746 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.442 9.127 3.108 1.00 0.00 H new ATOM 0 HE2 HIS A 29 1.438 11.211 4.183 1.00 0.00 H new ATOM 440 N LEU A 30 -2.353 7.710 7.051 1.00 0.00 N ATOM 441 CA LEU A 30 -2.462 6.287 6.751 1.00 0.00 C ATOM 442 C LEU A 30 -2.926 5.505 7.976 1.00 0.00 C ATOM 443 O LEU A 30 -3.569 4.463 7.853 1.00 0.00 O ATOM 444 CB LEU A 30 -1.118 5.743 6.263 1.00 0.00 C ATOM 445 CG LEU A 30 -0.799 5.969 4.785 1.00 0.00 C ATOM 446 CD1 LEU A 30 0.606 5.484 4.462 1.00 0.00 C ATOM 447 CD2 LEU A 30 -1.823 5.267 3.905 1.00 0.00 C ATOM 0 H LEU A 30 -1.516 7.967 7.574 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.204 6.164 5.962 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.327 6.198 6.859 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.089 4.671 6.461 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.848 7.039 4.582 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.815 5.653 3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.328 6.032 5.067 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.683 4.419 4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.580 5.439 2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.807 4.197 4.111 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.817 5.662 4.117 1.00 0.00 H new ATOM 459 N ARG A 31 -2.597 6.018 9.157 1.00 0.00 N ATOM 460 CA ARG A 31 -2.980 5.369 10.405 1.00 0.00 C ATOM 461 C ARG A 31 -4.463 5.008 10.397 1.00 0.00 C ATOM 462 O ARG A 31 -4.868 3.999 10.973 1.00 0.00 O ATOM 463 CB ARG A 31 -2.672 6.280 11.594 1.00 0.00 C ATOM 464 CG ARG A 31 -1.190 6.562 11.779 1.00 0.00 C ATOM 465 CD ARG A 31 -0.926 7.347 13.054 1.00 0.00 C ATOM 466 NE ARG A 31 -1.402 6.641 14.240 1.00 0.00 N ATOM 467 CZ ARG A 31 -2.652 6.711 14.684 1.00 0.00 C ATOM 468 NH1 ARG A 31 -3.547 7.450 14.043 1.00 0.00 N ATOM 469 NH2 ARG A 31 -3.009 6.039 15.771 1.00 0.00 N ATOM 0 H ARG A 31 -2.066 6.881 9.276 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.401 4.451 10.501 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.199 7.225 11.463 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.062 5.821 12.503 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.641 5.621 11.810 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.816 7.122 10.922 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.143 7.535 13.149 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.416 8.319 12.989 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.739 6.063 14.756 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.277 7.967 13.206 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.506 7.502 14.387 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.324 5.468 16.266 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.969 6.093 16.112 1.00 0.00 H new ATOM 483 N GLN A 32 -5.265 5.840 9.742 1.00 0.00 N ATOM 484 CA GLN A 32 -6.703 5.609 9.661 1.00 0.00 C ATOM 485 C GLN A 32 -7.100 5.137 8.266 1.00 0.00 C ATOM 486 O GLN A 32 -6.468 5.498 7.272 1.00 0.00 O ATOM 487 CB GLN A 32 -7.467 6.886 10.017 1.00 0.00 C ATOM 488 CG GLN A 32 -7.246 8.022 9.031 1.00 0.00 C ATOM 489 CD GLN A 32 -7.596 9.376 9.615 1.00 0.00 C ATOM 490 OE1 GLN A 32 -8.731 9.841 9.499 1.00 0.00 O ATOM 491 NE2 GLN A 32 -6.621 10.019 10.247 1.00 0.00 N ATOM 0 H GLN A 32 -4.944 6.680 9.260 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.961 4.828 10.376 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.532 6.660 10.066 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.165 7.215 11.011 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.203 8.026 8.714 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.849 7.848 8.140 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.695 9.597 10.320 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.798 10.935 10.660 1.00 0.00 H new ATOM 500 N THR A 33 -8.152 4.326 8.198 1.00 0.00 N ATOM 501 CA THR A 33 -8.633 3.803 6.926 1.00 0.00 C ATOM 502 C THR A 33 -8.608 4.878 5.845 1.00 0.00 C ATOM 503 O THR A 33 -9.328 5.873 5.928 1.00 0.00 O ATOM 504 CB THR A 33 -10.066 3.251 7.051 1.00 0.00 C ATOM 505 OG1 THR A 33 -10.193 2.489 8.257 1.00 0.00 O ATOM 506 CG2 THR A 33 -10.416 2.379 5.855 1.00 0.00 C ATOM 0 H THR A 33 -8.687 4.018 9.010 1.00 0.00 H new ATOM 0 HA THR A 33 -7.962 2.992 6.644 1.00 0.00 H new ATOM 0 HB THR A 33 -10.756 4.094 7.080 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.107 2.143 8.331 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.432 2.001 5.966 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.346 2.969 4.941 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.721 1.541 5.800 1.00 0.00 H new ATOM 514 N TYR A 34 -7.775 4.670 4.831 1.00 0.00 N ATOM 515 CA TYR A 34 -7.655 5.623 3.734 1.00 0.00 C ATOM 516 C TYR A 34 -8.970 5.744 2.971 1.00 0.00 C ATOM 517 O TYR A 34 -9.402 4.803 2.304 1.00 0.00 O ATOM 518 CB TYR A 34 -6.537 5.196 2.781 1.00 0.00 C ATOM 519 CG TYR A 34 -5.889 6.352 2.051 1.00 0.00 C ATOM 520 CD1 TYR A 34 -5.103 7.274 2.731 1.00 0.00 C ATOM 521 CD2 TYR A 34 -6.064 6.522 0.684 1.00 0.00 C ATOM 522 CE1 TYR A 34 -4.509 8.332 2.069 1.00 0.00 C ATOM 523 CE2 TYR A 34 -5.473 7.575 0.014 1.00 0.00 C ATOM 524 CZ TYR A 34 -4.697 8.478 0.711 1.00 0.00 C ATOM 525 OH TYR A 34 -4.108 9.530 0.047 1.00 0.00 O ATOM 0 H TYR A 34 -7.173 3.851 4.746 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.411 6.597 4.157 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.774 4.661 3.346 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.942 4.496 2.050 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.954 7.162 3.795 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.673 5.819 0.135 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.901 9.040 2.612 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -5.617 7.691 -1.050 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.351 9.201 -0.481 1.00 0.00 H new ATOM 535 N ILE A 35 -9.601 6.908 3.074 1.00 0.00 N ATOM 536 CA ILE A 35 -10.867 7.154 2.393 1.00 0.00 C ATOM 537 C ILE A 35 -10.674 8.069 1.189 1.00 0.00 C ATOM 538 O ILE A 35 -10.241 9.214 1.328 1.00 0.00 O ATOM 539 CB ILE A 35 -11.903 7.785 3.342 1.00 0.00 C ATOM 540 CG1 ILE A 35 -12.052 6.936 4.606 1.00 0.00 C ATOM 541 CG2 ILE A 35 -13.243 7.935 2.637 1.00 0.00 C ATOM 542 CD1 ILE A 35 -12.501 5.517 4.332 1.00 0.00 C ATOM 0 H ILE A 35 -9.257 7.696 3.622 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.237 6.186 2.055 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.554 8.776 3.632 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.098 6.911 5.132 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -12.771 7.414 5.272 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -13.965 8.382 3.320 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.125 8.576 1.763 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.600 6.955 2.322 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -12.585 4.974 5.273 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -13.470 5.532 3.834 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.771 5.022 3.691 1.00 0.00 H new ATOM 554 N ARG A 36 -10.999 7.558 0.006 1.00 0.00 N ATOM 555 CA ARG A 36 -10.862 8.329 -1.224 1.00 0.00 C ATOM 556 C ARG A 36 -11.962 7.967 -2.217 1.00 0.00 C ATOM 557 O ARG A 36 -12.417 6.824 -2.268 1.00 0.00 O ATOM 558 CB ARG A 36 -9.490 8.085 -1.854 1.00 0.00 C ATOM 559 CG ARG A 36 -8.391 8.964 -1.279 1.00 0.00 C ATOM 560 CD ARG A 36 -8.350 10.322 -1.962 1.00 0.00 C ATOM 561 NE ARG A 36 -7.045 10.964 -1.824 1.00 0.00 N ATOM 562 CZ ARG A 36 -6.670 11.642 -0.744 1.00 0.00 C ATOM 563 NH1 ARG A 36 -7.496 11.764 0.286 1.00 0.00 N ATOM 564 NH2 ARG A 36 -5.467 12.198 -0.693 1.00 0.00 N ATOM 0 H ARG A 36 -11.359 6.613 -0.127 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.956 9.386 -0.974 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.217 7.039 -1.715 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.557 8.257 -2.928 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.553 9.098 -0.209 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.428 8.467 -1.396 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.586 10.203 -3.020 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.118 10.966 -1.534 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.386 10.888 -2.599 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.422 11.337 0.251 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.206 12.285 1.114 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.829 12.106 -1.483 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.180 12.718 0.136 1.00 0.00 H new ATOM 578 N LYS A 37 -12.386 8.949 -3.006 1.00 0.00 N ATOM 579 CA LYS A 37 -13.432 8.735 -4.000 1.00 0.00 C ATOM 580 C LYS A 37 -12.857 8.118 -5.271 1.00 0.00 C ATOM 581 O LYS A 37 -11.663 8.236 -5.545 1.00 0.00 O ATOM 582 CB LYS A 37 -14.127 10.058 -4.331 1.00 0.00 C ATOM 583 CG LYS A 37 -15.169 10.470 -3.306 1.00 0.00 C ATOM 584 CD LYS A 37 -16.006 11.638 -3.801 1.00 0.00 C ATOM 585 CE LYS A 37 -15.269 12.959 -3.640 1.00 0.00 C ATOM 586 NZ LYS A 37 -15.305 13.447 -2.234 1.00 0.00 N ATOM 0 H LYS A 37 -12.021 9.901 -2.976 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.162 8.043 -3.580 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -13.376 10.844 -4.409 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.603 9.974 -5.308 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.819 9.623 -3.086 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.675 10.744 -2.374 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.259 11.487 -4.850 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.945 11.674 -3.249 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.233 12.837 -3.956 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -15.716 13.706 -4.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.836 14.374 -2.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.293 13.539 -1.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.811 12.770 -1.619 1.00 0.00 H new ATOM 600 N VAL A 38 -13.715 7.461 -6.045 1.00 0.00 N ATOM 601 CA VAL A 38 -13.293 6.828 -7.289 1.00 0.00 C ATOM 602 C VAL A 38 -12.964 7.871 -8.352 1.00 0.00 C ATOM 603 O VAL A 38 -13.473 8.990 -8.317 1.00 0.00 O ATOM 604 CB VAL A 38 -14.378 5.881 -7.833 1.00 0.00 C ATOM 605 CG1 VAL A 38 -14.877 4.954 -6.735 1.00 0.00 C ATOM 606 CG2 VAL A 38 -15.527 6.676 -8.433 1.00 0.00 C ATOM 0 H VAL A 38 -14.707 7.353 -5.832 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.397 6.250 -7.062 1.00 0.00 H new ATOM 0 HB VAL A 38 -13.939 5.269 -8.621 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.643 4.292 -7.138 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.046 4.359 -6.356 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -15.299 5.546 -5.923 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.285 5.990 -8.813 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -15.967 7.315 -7.667 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -15.154 7.294 -9.250 1.00 0.00 H new ATOM 616 N GLY A 39 -12.110 7.494 -9.298 1.00 0.00 N ATOM 617 CA GLY A 39 -11.728 8.407 -10.359 1.00 0.00 C ATOM 618 C GLY A 39 -10.682 9.410 -9.913 1.00 0.00 C ATOM 619 O GLY A 39 -9.720 9.674 -10.633 1.00 0.00 O ATOM 0 H GLY A 39 -11.676 6.572 -9.349 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.343 7.836 -11.204 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.611 8.940 -10.711 1.00 0.00 H new ATOM 623 N GLU A 40 -10.872 9.970 -8.722 1.00 0.00 N ATOM 624 CA GLU A 40 -9.937 10.950 -8.183 1.00 0.00 C ATOM 625 C GLU A 40 -8.530 10.368 -8.090 1.00 0.00 C ATOM 626 O GLU A 40 -8.357 9.178 -7.825 1.00 0.00 O ATOM 627 CB GLU A 40 -10.398 11.422 -6.802 1.00 0.00 C ATOM 628 CG GLU A 40 -11.386 12.575 -6.851 1.00 0.00 C ATOM 629 CD GLU A 40 -10.704 13.929 -6.826 1.00 0.00 C ATOM 630 OE1 GLU A 40 -9.630 14.041 -6.199 1.00 0.00 O ATOM 631 OE2 GLU A 40 -11.244 14.876 -7.434 1.00 0.00 O ATOM 0 H GLU A 40 -11.664 9.762 -8.113 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.914 11.802 -8.862 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.856 10.585 -6.275 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.527 11.726 -6.222 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.990 12.493 -7.755 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.068 12.500 -6.004 1.00 0.00 H new ATOM 638 N GLN A 41 -7.529 11.214 -8.310 1.00 0.00 N ATOM 639 CA GLN A 41 -6.138 10.783 -8.253 1.00 0.00 C ATOM 640 C GLN A 41 -5.740 10.415 -6.827 1.00 0.00 C ATOM 641 O GLN A 41 -6.012 11.159 -5.884 1.00 0.00 O ATOM 642 CB GLN A 41 -5.218 11.884 -8.783 1.00 0.00 C ATOM 643 CG GLN A 41 -5.282 12.056 -10.292 1.00 0.00 C ATOM 644 CD GLN A 41 -4.448 13.223 -10.783 1.00 0.00 C ATOM 645 OE1 GLN A 41 -4.343 14.251 -10.112 1.00 0.00 O ATOM 646 NE2 GLN A 41 -3.850 13.072 -11.958 1.00 0.00 N ATOM 0 H GLN A 41 -7.656 12.202 -8.529 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.033 9.898 -8.881 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.483 12.828 -8.307 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.191 11.658 -8.495 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.937 11.141 -10.773 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.319 12.204 -10.593 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.964 12.203 -12.480 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.276 13.825 -12.339 1.00 0.00 H new ATOM 655 N LEU A 42 -5.096 9.264 -6.676 1.00 0.00 N ATOM 656 CA LEU A 42 -4.661 8.796 -5.365 1.00 0.00 C ATOM 657 C LEU A 42 -3.182 9.096 -5.143 1.00 0.00 C ATOM 658 O LEU A 42 -2.388 9.085 -6.083 1.00 0.00 O ATOM 659 CB LEU A 42 -4.914 7.294 -5.227 1.00 0.00 C ATOM 660 CG LEU A 42 -6.348 6.883 -4.891 1.00 0.00 C ATOM 661 CD1 LEU A 42 -6.549 5.396 -5.138 1.00 0.00 C ATOM 662 CD2 LEU A 42 -6.679 7.236 -3.448 1.00 0.00 C ATOM 0 H LEU A 42 -4.863 8.637 -7.446 1.00 0.00 H new ATOM 0 HA LEU A 42 -5.239 9.326 -4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.628 6.810 -6.161 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.254 6.904 -4.451 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.026 7.433 -5.543 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.575 5.122 -4.893 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.354 5.172 -6.187 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.862 4.827 -4.511 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.703 6.937 -3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.995 6.713 -2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.576 8.311 -3.304 1.00 0.00 H new ATOM 674 N ASN A 43 -2.818 9.363 -3.892 1.00 0.00 N ATOM 675 CA ASN A 43 -1.434 9.664 -3.546 1.00 0.00 C ATOM 676 C ASN A 43 -1.094 9.137 -2.155 1.00 0.00 C ATOM 677 O ASN A 43 -1.747 9.484 -1.171 1.00 0.00 O ATOM 678 CB ASN A 43 -1.189 11.173 -3.605 1.00 0.00 C ATOM 679 CG ASN A 43 0.287 11.520 -3.598 1.00 0.00 C ATOM 680 OD1 ASN A 43 0.903 11.685 -4.652 1.00 0.00 O ATOM 681 ND2 ASN A 43 0.863 11.631 -2.407 1.00 0.00 N ATOM 0 H ASN A 43 -3.463 9.377 -3.102 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.788 9.169 -4.271 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.650 11.578 -4.506 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.676 11.651 -2.755 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.854 11.861 -2.339 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.314 11.486 -1.560 1.00 0.00 H new ATOM 688 N LEU A 44 -0.067 8.297 -2.082 1.00 0.00 N ATOM 689 CA LEU A 44 0.362 7.721 -0.812 1.00 0.00 C ATOM 690 C LEU A 44 1.883 7.699 -0.710 1.00 0.00 C ATOM 691 O LEU A 44 2.550 6.915 -1.386 1.00 0.00 O ATOM 692 CB LEU A 44 -0.192 6.303 -0.660 1.00 0.00 C ATOM 693 CG LEU A 44 -1.683 6.196 -0.337 1.00 0.00 C ATOM 694 CD1 LEU A 44 -2.188 4.788 -0.611 1.00 0.00 C ATOM 695 CD2 LEU A 44 -1.944 6.586 1.111 1.00 0.00 C ATOM 0 H LEU A 44 0.484 8.000 -2.887 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.028 8.345 -0.008 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.001 5.759 -1.585 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.367 5.798 0.128 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.226 6.887 -0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.251 4.730 -0.376 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.036 4.545 -1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.640 4.078 0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.010 6.504 1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.390 5.920 1.773 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.619 7.613 1.275 1.00 0.00 H new ATOM 707 N VAL A 45 2.427 8.564 0.140 1.00 0.00 N ATOM 708 CA VAL A 45 3.870 8.641 0.334 1.00 0.00 C ATOM 709 C VAL A 45 4.289 7.956 1.629 1.00 0.00 C ATOM 710 O VAL A 45 4.073 8.483 2.721 1.00 0.00 O ATOM 711 CB VAL A 45 4.355 10.103 0.359 1.00 0.00 C ATOM 712 CG1 VAL A 45 3.835 10.817 1.598 1.00 0.00 C ATOM 713 CG2 VAL A 45 5.874 10.161 0.298 1.00 0.00 C ATOM 0 H VAL A 45 1.890 9.221 0.705 1.00 0.00 H new ATOM 0 HA VAL A 45 4.330 8.127 -0.510 1.00 0.00 H new ATOM 0 HB VAL A 45 3.959 10.614 -0.518 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.188 11.848 1.599 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.745 10.806 1.594 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.199 10.309 2.491 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.199 11.201 0.317 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.293 9.634 1.155 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.219 9.689 -0.622 1.00 0.00 H new ATOM 723 N VAL A 46 4.889 6.777 1.501 1.00 0.00 N ATOM 724 CA VAL A 46 5.340 6.018 2.662 1.00 0.00 C ATOM 725 C VAL A 46 6.853 6.113 2.826 1.00 0.00 C ATOM 726 O VAL A 46 7.620 5.444 2.134 1.00 0.00 O ATOM 727 CB VAL A 46 4.938 4.535 2.555 1.00 0.00 C ATOM 728 CG1 VAL A 46 5.106 3.838 3.896 1.00 0.00 C ATOM 729 CG2 VAL A 46 3.508 4.407 2.052 1.00 0.00 C ATOM 0 H VAL A 46 5.074 6.326 0.605 1.00 0.00 H new ATOM 0 HA VAL A 46 4.854 6.456 3.534 1.00 0.00 H new ATOM 0 HB VAL A 46 5.597 4.048 1.836 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.817 2.791 3.801 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.148 3.900 4.210 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.473 4.323 4.640 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.240 3.353 1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.832 4.908 2.745 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.426 4.868 1.068 1.00 0.00 H new ATOM 739 N PRO A 47 7.294 6.963 3.765 1.00 0.00 N ATOM 740 CA PRO A 47 8.719 7.165 4.044 1.00 0.00 C ATOM 741 C PRO A 47 9.359 5.949 4.705 1.00 0.00 C ATOM 742 O PRO A 47 8.681 5.162 5.366 1.00 0.00 O ATOM 743 CB PRO A 47 8.728 8.360 5.000 1.00 0.00 C ATOM 744 CG PRO A 47 7.392 8.329 5.657 1.00 0.00 C ATOM 745 CD PRO A 47 6.436 7.793 4.627 1.00 0.00 C ATOM 0 HA PRO A 47 9.293 7.327 3.132 1.00 0.00 H new ATOM 0 HB2 PRO A 47 9.531 8.275 5.732 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.883 9.296 4.463 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.407 7.694 6.543 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.095 9.325 5.984 1.00 0.00 H new ATOM 0 HD2 PRO A 47 5.639 7.207 5.085 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.959 8.596 4.065 1.00 0.00 H new ATOM 753 N PHE A 48 10.667 5.801 4.523 1.00 0.00 N ATOM 754 CA PHE A 48 11.397 4.680 5.102 1.00 0.00 C ATOM 755 C PHE A 48 12.867 5.037 5.308 1.00 0.00 C ATOM 756 O PHE A 48 13.465 5.740 4.494 1.00 0.00 O ATOM 757 CB PHE A 48 11.281 3.449 4.202 1.00 0.00 C ATOM 758 CG PHE A 48 11.670 3.711 2.775 1.00 0.00 C ATOM 759 CD1 PHE A 48 13.002 3.708 2.394 1.00 0.00 C ATOM 760 CD2 PHE A 48 10.702 3.959 1.814 1.00 0.00 C ATOM 761 CE1 PHE A 48 13.362 3.949 1.081 1.00 0.00 C ATOM 762 CE2 PHE A 48 11.056 4.201 0.500 1.00 0.00 C ATOM 763 CZ PHE A 48 12.388 4.195 0.133 1.00 0.00 C ATOM 0 H PHE A 48 11.243 6.444 3.979 1.00 0.00 H new ATOM 0 HA PHE A 48 10.956 4.454 6.073 1.00 0.00 H new ATOM 0 HB2 PHE A 48 11.912 2.655 4.602 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.254 3.084 4.229 1.00 0.00 H new ATOM 0 HD1 PHE A 48 13.768 3.515 3.131 1.00 0.00 H new ATOM 0 HD2 PHE A 48 9.659 3.963 2.095 1.00 0.00 H new ATOM 0 HE1 PHE A 48 14.404 3.945 0.797 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.292 4.395 -0.239 1.00 0.00 H new ATOM 0 HZ PHE A 48 12.667 4.382 -0.893 1.00 0.00 H new ATOM 773 N GLN A 49 13.441 4.547 6.402 1.00 0.00 N ATOM 774 CA GLN A 49 14.839 4.815 6.716 1.00 0.00 C ATOM 775 C GLN A 49 15.698 3.578 6.473 1.00 0.00 C ATOM 776 O GLN A 49 15.190 2.460 6.407 1.00 0.00 O ATOM 777 CB GLN A 49 14.979 5.270 8.169 1.00 0.00 C ATOM 778 CG GLN A 49 14.532 6.704 8.404 1.00 0.00 C ATOM 779 CD GLN A 49 15.218 7.689 7.477 1.00 0.00 C ATOM 780 OE1 GLN A 49 16.442 7.819 7.488 1.00 0.00 O ATOM 781 NE2 GLN A 49 14.431 8.388 6.668 1.00 0.00 N ATOM 0 H GLN A 49 12.960 3.963 7.085 1.00 0.00 H new ATOM 0 HA GLN A 49 15.187 5.612 6.058 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.394 4.607 8.806 1.00 0.00 H new ATOM 0 HB3 GLN A 49 16.021 5.168 8.474 1.00 0.00 H new ATOM 0 HG2 GLN A 49 13.453 6.771 8.265 1.00 0.00 H new ATOM 0 HG3 GLN A 49 14.738 6.980 9.438 1.00 0.00 H new ATOM 0 HE21 GLN A 49 13.421 8.248 6.693 1.00 0.00 H new ATOM 0 HE22 GLN A 49 14.836 9.065 6.022 1.00 0.00 H new ATOM 790 N GLY A 50 17.004 3.788 6.339 1.00 0.00 N ATOM 791 CA GLY A 50 17.913 2.681 6.104 1.00 0.00 C ATOM 792 C GLY A 50 19.040 3.047 5.158 1.00 0.00 C ATOM 793 O GLY A 50 18.894 3.938 4.322 1.00 0.00 O ATOM 0 H GLY A 50 17.449 4.705 6.389 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.333 2.352 7.054 1.00 0.00 H new ATOM 0 HA3 GLY A 50 17.356 1.839 5.693 1.00 0.00 H new ATOM 797 N LYS A 51 20.168 2.358 5.290 1.00 0.00 N ATOM 798 CA LYS A 51 21.325 2.614 4.441 1.00 0.00 C ATOM 799 C LYS A 51 22.057 1.317 4.113 1.00 0.00 C ATOM 800 O LYS A 51 21.905 0.301 4.792 1.00 0.00 O ATOM 801 CB LYS A 51 22.282 3.592 5.129 1.00 0.00 C ATOM 802 CG LYS A 51 22.005 5.048 4.798 1.00 0.00 C ATOM 803 CD LYS A 51 20.976 5.648 5.741 1.00 0.00 C ATOM 804 CE LYS A 51 20.297 6.863 5.126 1.00 0.00 C ATOM 805 NZ LYS A 51 19.261 7.436 6.030 1.00 0.00 N ATOM 0 H LYS A 51 20.306 1.617 5.978 1.00 0.00 H new ATOM 0 HA LYS A 51 20.970 3.056 3.510 1.00 0.00 H new ATOM 0 HB2 LYS A 51 22.215 3.454 6.208 1.00 0.00 H new ATOM 0 HB3 LYS A 51 23.305 3.351 4.840 1.00 0.00 H new ATOM 0 HG2 LYS A 51 22.932 5.619 4.859 1.00 0.00 H new ATOM 0 HG3 LYS A 51 21.649 5.127 3.771 1.00 0.00 H new ATOM 0 HD2 LYS A 51 20.226 4.897 5.988 1.00 0.00 H new ATOM 0 HD3 LYS A 51 21.460 5.934 6.675 1.00 0.00 H new ATOM 0 HE2 LYS A 51 21.045 7.623 4.903 1.00 0.00 H new ATOM 0 HE3 LYS A 51 19.837 6.581 4.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 18.822 8.262 5.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 18.533 6.719 6.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 19.704 7.728 6.924 1.00 0.00 H new ATOM 819 N PRO A 52 22.872 1.349 3.048 1.00 0.00 N ATOM 820 CA PRO A 52 23.061 2.552 2.232 1.00 0.00 C ATOM 821 C PRO A 52 21.820 2.900 1.416 1.00 0.00 C ATOM 822 O PRO A 52 21.375 4.048 1.404 1.00 0.00 O ATOM 823 CB PRO A 52 24.221 2.175 1.307 1.00 0.00 C ATOM 824 CG PRO A 52 24.169 0.689 1.221 1.00 0.00 C ATOM 825 CD PRO A 52 23.671 0.214 2.558 1.00 0.00 C ATOM 0 HA PRO A 52 23.255 3.433 2.844 1.00 0.00 H new ATOM 0 HB2 PRO A 52 24.108 2.633 0.324 1.00 0.00 H new ATOM 0 HB3 PRO A 52 25.175 2.515 1.710 1.00 0.00 H new ATOM 0 HG2 PRO A 52 23.503 0.368 0.420 1.00 0.00 H new ATOM 0 HG3 PRO A 52 25.154 0.276 1.002 1.00 0.00 H new ATOM 0 HD2 PRO A 52 23.069 -0.690 2.464 1.00 0.00 H new ATOM 0 HD3 PRO A 52 24.494 -0.019 3.234 1.00 0.00 H new ATOM 833 N ARG A 53 21.266 1.902 0.736 1.00 0.00 N ATOM 834 CA ARG A 53 20.077 2.103 -0.083 1.00 0.00 C ATOM 835 C ARG A 53 19.052 1.001 0.167 1.00 0.00 C ATOM 836 O ARG A 53 19.114 -0.083 -0.413 1.00 0.00 O ATOM 837 CB ARG A 53 20.453 2.137 -1.566 1.00 0.00 C ATOM 838 CG ARG A 53 20.898 3.507 -2.050 1.00 0.00 C ATOM 839 CD ARG A 53 21.184 3.505 -3.543 1.00 0.00 C ATOM 840 NE ARG A 53 22.552 3.087 -3.838 1.00 0.00 N ATOM 841 CZ ARG A 53 23.142 3.278 -5.013 1.00 0.00 C ATOM 842 NH1 ARG A 53 22.487 3.878 -5.997 1.00 0.00 N ATOM 843 NH2 ARG A 53 24.390 2.870 -5.204 1.00 0.00 N ATOM 0 H ARG A 53 21.622 0.946 0.736 1.00 0.00 H new ATOM 0 HA ARG A 53 19.633 3.059 0.195 1.00 0.00 H new ATOM 0 HB2 ARG A 53 21.254 1.420 -1.746 1.00 0.00 H new ATOM 0 HB3 ARG A 53 19.596 1.813 -2.157 1.00 0.00 H new ATOM 0 HG2 ARG A 53 20.124 4.242 -1.828 1.00 0.00 H new ATOM 0 HG3 ARG A 53 21.793 3.813 -1.508 1.00 0.00 H new ATOM 0 HD2 ARG A 53 20.485 2.837 -4.045 1.00 0.00 H new ATOM 0 HD3 ARG A 53 21.015 4.504 -3.946 1.00 0.00 H new ATOM 0 HE ARG A 53 23.084 2.623 -3.101 1.00 0.00 H new ATOM 0 HH11 ARG A 53 21.528 4.194 -5.853 1.00 0.00 H new ATOM 0 HH12 ARG A 53 22.942 4.024 -6.898 1.00 0.00 H new ATOM 0 HH21 ARG A 53 24.897 2.409 -4.448 1.00 0.00 H new ATOM 0 HH22 ARG A 53 24.842 3.017 -6.106 1.00 0.00 H new ATOM 857 N PRO A 54 18.084 1.283 1.053 1.00 0.00 N ATOM 858 CA PRO A 54 17.027 0.329 1.401 1.00 0.00 C ATOM 859 C PRO A 54 16.047 0.105 0.254 1.00 0.00 C ATOM 860 O PRO A 54 15.427 1.049 -0.236 1.00 0.00 O ATOM 861 CB PRO A 54 16.322 0.996 2.584 1.00 0.00 C ATOM 862 CG PRO A 54 16.585 2.452 2.409 1.00 0.00 C ATOM 863 CD PRO A 54 17.948 2.554 1.783 1.00 0.00 C ATOM 0 HA PRO A 54 17.429 -0.659 1.628 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.253 0.783 2.579 1.00 0.00 H new ATOM 0 HB3 PRO A 54 16.715 0.634 3.534 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.828 2.912 1.773 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.555 2.972 3.367 1.00 0.00 H new ATOM 0 HD2 PRO A 54 18.020 3.411 1.114 1.00 0.00 H new ATOM 0 HD3 PRO A 54 18.728 2.671 2.535 1.00 0.00 H new ATOM 871 N GLN A 55 15.913 -1.148 -0.168 1.00 0.00 N ATOM 872 CA GLN A 55 15.008 -1.493 -1.258 1.00 0.00 C ATOM 873 C GLN A 55 13.553 -1.355 -0.822 1.00 0.00 C ATOM 874 O GLN A 55 13.247 -1.377 0.370 1.00 0.00 O ATOM 875 CB GLN A 55 15.276 -2.921 -1.738 1.00 0.00 C ATOM 876 CG GLN A 55 14.957 -3.138 -3.209 1.00 0.00 C ATOM 877 CD GLN A 55 16.134 -2.829 -4.113 1.00 0.00 C ATOM 878 OE1 GLN A 55 17.014 -3.666 -4.313 1.00 0.00 O ATOM 879 NE2 GLN A 55 16.155 -1.621 -4.665 1.00 0.00 N ATOM 0 H GLN A 55 16.419 -1.940 0.228 1.00 0.00 H new ATOM 0 HA GLN A 55 15.189 -0.801 -2.080 1.00 0.00 H new ATOM 0 HB2 GLN A 55 16.324 -3.164 -1.562 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.684 -3.614 -1.140 1.00 0.00 H new ATOM 0 HG2 GLN A 55 14.649 -4.172 -3.361 1.00 0.00 H new ATOM 0 HG3 GLN A 55 14.113 -2.509 -3.490 1.00 0.00 H new ATOM 0 HE21 GLN A 55 15.404 -0.959 -4.471 1.00 0.00 H new ATOM 0 HE22 GLN A 55 16.922 -1.356 -5.283 1.00 0.00 H new ATOM 888 N VAL A 56 12.660 -1.212 -1.796 1.00 0.00 N ATOM 889 CA VAL A 56 11.236 -1.071 -1.513 1.00 0.00 C ATOM 890 C VAL A 56 10.405 -1.977 -2.415 1.00 0.00 C ATOM 891 O VAL A 56 10.494 -1.903 -3.640 1.00 0.00 O ATOM 892 CB VAL A 56 10.770 0.385 -1.696 1.00 0.00 C ATOM 893 CG1 VAL A 56 9.322 0.541 -1.254 1.00 0.00 C ATOM 894 CG2 VAL A 56 11.676 1.335 -0.927 1.00 0.00 C ATOM 0 H VAL A 56 12.897 -1.191 -2.788 1.00 0.00 H new ATOM 0 HA VAL A 56 11.088 -1.364 -0.474 1.00 0.00 H new ATOM 0 HB VAL A 56 10.832 0.638 -2.754 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.009 1.576 -1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.687 -0.112 -1.853 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.232 0.270 -0.202 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.332 2.360 -1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.648 1.085 0.134 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.698 1.242 -1.295 1.00 0.00 H new ATOM 904 N VAL A 57 9.594 -2.832 -1.799 1.00 0.00 N ATOM 905 CA VAL A 57 8.744 -3.752 -2.546 1.00 0.00 C ATOM 906 C VAL A 57 7.269 -3.492 -2.260 1.00 0.00 C ATOM 907 O VAL A 57 6.826 -3.568 -1.114 1.00 0.00 O ATOM 908 CB VAL A 57 9.071 -5.218 -2.207 1.00 0.00 C ATOM 909 CG1 VAL A 57 8.124 -6.159 -2.938 1.00 0.00 C ATOM 910 CG2 VAL A 57 10.519 -5.534 -2.550 1.00 0.00 C ATOM 0 H VAL A 57 9.508 -2.907 -0.785 1.00 0.00 H new ATOM 0 HA VAL A 57 8.942 -3.579 -3.604 1.00 0.00 H new ATOM 0 HB VAL A 57 8.935 -5.364 -1.135 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.370 -7.191 -2.686 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.098 -5.947 -2.638 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.225 -6.014 -4.014 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.733 -6.574 -2.304 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.684 -5.372 -3.615 1.00 0.00 H new ATOM 0 HG23 VAL A 57 11.179 -4.883 -1.977 1.00 0.00 H new ATOM 920 N TRP A 58 6.514 -3.186 -3.308 1.00 0.00 N ATOM 921 CA TRP A 58 5.087 -2.915 -3.170 1.00 0.00 C ATOM 922 C TRP A 58 4.259 -4.113 -3.621 1.00 0.00 C ATOM 923 O TRP A 58 4.413 -4.601 -4.741 1.00 0.00 O ATOM 924 CB TRP A 58 4.701 -1.678 -3.981 1.00 0.00 C ATOM 925 CG TRP A 58 4.936 -0.391 -3.250 1.00 0.00 C ATOM 926 CD1 TRP A 58 6.019 0.433 -3.369 1.00 0.00 C ATOM 927 CD2 TRP A 58 4.070 0.218 -2.286 1.00 0.00 C ATOM 928 NE1 TRP A 58 5.878 1.518 -2.537 1.00 0.00 N ATOM 929 CE2 TRP A 58 4.691 1.410 -1.863 1.00 0.00 C ATOM 930 CE3 TRP A 58 2.830 -0.126 -1.742 1.00 0.00 C ATOM 931 CZ2 TRP A 58 4.112 2.255 -0.920 1.00 0.00 C ATOM 932 CZ3 TRP A 58 2.257 0.714 -0.806 1.00 0.00 C ATOM 933 CH2 TRP A 58 2.898 1.894 -0.403 1.00 0.00 C ATOM 0 H TRP A 58 6.865 -3.119 -4.263 1.00 0.00 H new ATOM 0 HA TRP A 58 4.878 -2.729 -2.116 1.00 0.00 H new ATOM 0 HB2 TRP A 58 5.271 -1.669 -4.910 1.00 0.00 H new ATOM 0 HB3 TRP A 58 3.648 -1.745 -4.254 1.00 0.00 H new ATOM 0 HD1 TRP A 58 6.862 0.258 -4.021 1.00 0.00 H new ATOM 0 HE1 TRP A 58 6.549 2.280 -2.438 1.00 0.00 H new ATOM 0 HE3 TRP A 58 2.328 -1.032 -2.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.604 3.164 -0.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.299 0.457 -0.378 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.424 2.530 0.330 1.00 0.00 H new ATOM 944 N THR A 59 3.380 -4.585 -2.742 1.00 0.00 N ATOM 945 CA THR A 59 2.529 -5.727 -3.051 1.00 0.00 C ATOM 946 C THR A 59 1.090 -5.473 -2.617 1.00 0.00 C ATOM 947 O THR A 59 0.838 -4.733 -1.665 1.00 0.00 O ATOM 948 CB THR A 59 3.040 -7.009 -2.368 1.00 0.00 C ATOM 949 OG1 THR A 59 3.211 -6.782 -0.965 1.00 0.00 O ATOM 950 CG2 THR A 59 4.358 -7.459 -2.979 1.00 0.00 C ATOM 0 H THR A 59 3.239 -4.194 -1.811 1.00 0.00 H new ATOM 0 HA THR A 59 2.561 -5.862 -4.132 1.00 0.00 H new ATOM 0 HB THR A 59 2.300 -7.795 -2.520 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.535 -7.603 -0.538 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.699 -8.366 -2.480 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.217 -7.660 -4.041 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.104 -6.674 -2.854 1.00 0.00 H new ATOM 958 N LYS A 60 0.147 -6.091 -3.320 1.00 0.00 N ATOM 959 CA LYS A 60 -1.269 -5.933 -3.007 1.00 0.00 C ATOM 960 C LYS A 60 -1.870 -7.251 -2.529 1.00 0.00 C ATOM 961 O LYS A 60 -2.510 -7.968 -3.298 1.00 0.00 O ATOM 962 CB LYS A 60 -2.031 -5.428 -4.234 1.00 0.00 C ATOM 963 CG LYS A 60 -3.538 -5.403 -4.046 1.00 0.00 C ATOM 964 CD LYS A 60 -4.007 -4.070 -3.488 1.00 0.00 C ATOM 965 CE LYS A 60 -5.510 -3.896 -3.650 1.00 0.00 C ATOM 966 NZ LYS A 60 -5.861 -3.326 -4.980 1.00 0.00 N ATOM 0 H LYS A 60 0.338 -6.706 -4.111 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.359 -5.200 -2.205 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.687 -4.423 -4.477 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.790 -6.062 -5.087 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.028 -5.592 -5.001 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.835 -6.206 -3.371 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -3.744 -4.003 -2.432 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.489 -3.258 -3.998 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.003 -4.860 -3.526 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.887 -3.242 -2.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.449 -2.478 -4.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.991 -3.069 -5.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.389 -4.032 -5.532 1.00 0.00 H new ATOM 980 N GLY A 61 -1.660 -7.564 -1.254 1.00 0.00 N ATOM 981 CA GLY A 61 -2.189 -8.795 -0.696 1.00 0.00 C ATOM 982 C GLY A 61 -1.123 -9.858 -0.521 1.00 0.00 C ATOM 983 O GLY A 61 -1.119 -10.586 0.471 1.00 0.00 O ATOM 0 H GLY A 61 -1.133 -6.987 -0.598 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.649 -8.584 0.269 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.975 -9.177 -1.347 1.00 0.00 H new ATOM 987 N GLY A 62 -0.215 -9.949 -1.488 1.00 0.00 N ATOM 988 CA GLY A 62 0.847 -10.935 -1.419 1.00 0.00 C ATOM 989 C GLY A 62 1.807 -10.836 -2.588 1.00 0.00 C ATOM 990 O GLY A 62 3.011 -11.037 -2.430 1.00 0.00 O ATOM 0 H GLY A 62 -0.196 -9.357 -2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.399 -10.806 -0.488 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.411 -11.934 -1.395 1.00 0.00 H new ATOM 994 N ALA A 63 1.273 -10.528 -3.766 1.00 0.00 N ATOM 995 CA ALA A 63 2.090 -10.404 -4.966 1.00 0.00 C ATOM 996 C ALA A 63 2.375 -8.940 -5.287 1.00 0.00 C ATOM 997 O ALA A 63 1.744 -8.029 -4.752 1.00 0.00 O ATOM 998 CB ALA A 63 1.405 -11.081 -6.144 1.00 0.00 C ATOM 0 H ALA A 63 0.278 -10.360 -3.914 1.00 0.00 H new ATOM 0 HA ALA A 63 3.042 -10.900 -4.780 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.027 -10.980 -7.033 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.259 -12.138 -5.921 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.438 -10.610 -6.322 1.00 0.00 H new ATOM 1004 N PRO A 64 3.347 -8.708 -6.181 1.00 0.00 N ATOM 1005 CA PRO A 64 3.738 -7.357 -6.593 1.00 0.00 C ATOM 1006 C PRO A 64 2.666 -6.675 -7.436 1.00 0.00 C ATOM 1007 O PRO A 64 2.002 -7.317 -8.252 1.00 0.00 O ATOM 1008 CB PRO A 64 5.003 -7.590 -7.423 1.00 0.00 C ATOM 1009 CG PRO A 64 4.871 -8.985 -7.929 1.00 0.00 C ATOM 1010 CD PRO A 64 4.141 -9.747 -6.859 1.00 0.00 C ATOM 0 HA PRO A 64 3.889 -6.698 -5.738 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.075 -6.876 -8.244 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.902 -7.472 -6.817 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.320 -9.008 -8.869 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.850 -9.424 -8.122 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.506 -10.525 -7.282 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.832 -10.237 -6.172 1.00 0.00 H new ATOM 1018 N LEU A 65 2.501 -5.373 -7.236 1.00 0.00 N ATOM 1019 CA LEU A 65 1.509 -4.603 -7.979 1.00 0.00 C ATOM 1020 C LEU A 65 1.542 -4.960 -9.461 1.00 0.00 C ATOM 1021 O LEU A 65 2.562 -5.417 -9.978 1.00 0.00 O ATOM 1022 CB LEU A 65 1.757 -3.105 -7.798 1.00 0.00 C ATOM 1023 CG LEU A 65 1.587 -2.563 -6.378 1.00 0.00 C ATOM 1024 CD1 LEU A 65 2.123 -1.143 -6.281 1.00 0.00 C ATOM 1025 CD2 LEU A 65 0.124 -2.612 -5.961 1.00 0.00 C ATOM 0 H LEU A 65 3.042 -4.827 -6.565 1.00 0.00 H new ATOM 0 HA LEU A 65 0.523 -4.852 -7.586 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.770 -2.882 -8.132 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.078 -2.563 -8.456 1.00 0.00 H new ATOM 0 HG LEU A 65 2.160 -3.193 -5.698 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.994 -0.774 -5.264 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.182 -1.136 -6.538 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.578 -0.500 -6.972 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.021 -2.223 -4.948 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.470 -2.006 -6.645 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.229 -3.643 -5.991 1.00 0.00 H new ATOM 1037 N ASP A 66 0.420 -4.748 -10.140 1.00 0.00 N ATOM 1038 CA ASP A 66 0.321 -5.044 -11.565 1.00 0.00 C ATOM 1039 C ASP A 66 1.436 -4.353 -12.343 1.00 0.00 C ATOM 1040 O ASP A 66 1.853 -4.822 -13.402 1.00 0.00 O ATOM 1041 CB ASP A 66 -1.042 -4.607 -12.105 1.00 0.00 C ATOM 1042 CG ASP A 66 -2.186 -5.050 -11.215 1.00 0.00 C ATOM 1043 OD1 ASP A 66 -2.449 -4.368 -10.203 1.00 0.00 O ATOM 1044 OD2 ASP A 66 -2.819 -6.080 -11.530 1.00 0.00 O ATOM 0 H ASP A 66 -0.434 -4.372 -9.727 1.00 0.00 H new ATOM 0 HA ASP A 66 0.426 -6.121 -11.695 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -1.060 -3.521 -12.202 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.183 -5.019 -13.104 1.00 0.00 H new ATOM 1049 N THR A 67 1.915 -3.232 -11.811 1.00 0.00 N ATOM 1050 CA THR A 67 2.979 -2.474 -12.456 1.00 0.00 C ATOM 1051 C THR A 67 2.707 -2.302 -13.946 1.00 0.00 C ATOM 1052 O THR A 67 3.634 -2.239 -14.753 1.00 0.00 O ATOM 1053 CB THR A 67 4.347 -3.158 -12.271 1.00 0.00 C ATOM 1054 OG1 THR A 67 4.348 -4.435 -12.919 1.00 0.00 O ATOM 1055 CG2 THR A 67 4.670 -3.333 -10.795 1.00 0.00 C ATOM 0 H THR A 67 1.582 -2.830 -10.935 1.00 0.00 H new ATOM 0 HA THR A 67 3.003 -1.494 -11.979 1.00 0.00 H new ATOM 0 HB THR A 67 5.110 -2.522 -12.721 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.546 -4.520 -13.476 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.640 -3.818 -10.690 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.698 -2.357 -10.310 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.904 -3.950 -10.325 1.00 0.00 H new ATOM 1063 N SER A 68 1.429 -2.227 -14.304 1.00 0.00 N ATOM 1064 CA SER A 68 1.035 -2.065 -15.699 1.00 0.00 C ATOM 1065 C SER A 68 0.430 -0.684 -15.936 1.00 0.00 C ATOM 1066 O SER A 68 0.699 -0.043 -16.951 1.00 0.00 O ATOM 1067 CB SER A 68 0.031 -3.149 -16.096 1.00 0.00 C ATOM 1068 OG SER A 68 0.645 -4.425 -16.128 1.00 0.00 O ATOM 0 H SER A 68 0.649 -2.276 -13.648 1.00 0.00 H new ATOM 0 HA SER A 68 1.928 -2.162 -16.317 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.798 -3.158 -15.388 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.389 -2.919 -17.075 1.00 0.00 H new ATOM 0 HG SER A 68 1.060 -4.610 -15.260 1.00 0.00 H new ATOM 1074 N ARG A 69 -0.387 -0.233 -14.990 1.00 0.00 N ATOM 1075 CA ARG A 69 -1.032 1.070 -15.095 1.00 0.00 C ATOM 1076 C ARG A 69 -0.668 1.954 -13.906 1.00 0.00 C ATOM 1077 O ARG A 69 -0.848 3.171 -13.945 1.00 0.00 O ATOM 1078 CB ARG A 69 -2.551 0.907 -15.177 1.00 0.00 C ATOM 1079 CG ARG A 69 -3.199 0.566 -13.846 1.00 0.00 C ATOM 1080 CD ARG A 69 -3.315 -0.938 -13.652 1.00 0.00 C ATOM 1081 NE ARG A 69 -3.903 -1.280 -12.360 1.00 0.00 N ATOM 1082 CZ ARG A 69 -4.128 -2.527 -11.961 1.00 0.00 C ATOM 1083 NH1 ARG A 69 -3.815 -3.545 -12.750 1.00 0.00 N ATOM 1084 NH2 ARG A 69 -4.666 -2.757 -10.770 1.00 0.00 N ATOM 0 H ARG A 69 -0.618 -0.751 -14.142 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.676 1.551 -16.006 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -2.987 1.831 -15.558 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.786 0.123 -15.897 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.612 0.995 -13.034 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -4.190 1.018 -13.796 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -3.925 -1.360 -14.451 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -2.327 -1.391 -13.732 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.155 -0.519 -11.729 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.400 -3.372 -13.666 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -3.989 -4.502 -12.441 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.907 -1.976 -10.160 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.838 -3.715 -10.465 1.00 0.00 H new ATOM 1098 N VAL A 70 -0.155 1.333 -12.848 1.00 0.00 N ATOM 1099 CA VAL A 70 0.234 2.063 -11.648 1.00 0.00 C ATOM 1100 C VAL A 70 1.627 2.665 -11.798 1.00 0.00 C ATOM 1101 O VAL A 70 2.556 2.001 -12.258 1.00 0.00 O ATOM 1102 CB VAL A 70 0.212 1.152 -10.406 1.00 0.00 C ATOM 1103 CG1 VAL A 70 0.487 1.960 -9.146 1.00 0.00 C ATOM 1104 CG2 VAL A 70 -1.119 0.424 -10.303 1.00 0.00 C ATOM 0 H VAL A 70 0.001 0.326 -12.798 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.493 2.865 -11.515 1.00 0.00 H new ATOM 0 HB VAL A 70 1.000 0.406 -10.510 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.467 1.300 -8.279 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.467 2.430 -9.222 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.277 2.730 -9.033 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.117 -0.215 -9.420 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.926 1.152 -10.222 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.269 -0.187 -11.193 1.00 0.00 H new ATOM 1114 N HIS A 71 1.764 3.928 -11.408 1.00 0.00 N ATOM 1115 CA HIS A 71 3.045 4.621 -11.498 1.00 0.00 C ATOM 1116 C HIS A 71 3.599 4.922 -10.109 1.00 0.00 C ATOM 1117 O HIS A 71 3.144 5.846 -9.434 1.00 0.00 O ATOM 1118 CB HIS A 71 2.891 5.919 -12.291 1.00 0.00 C ATOM 1119 CG HIS A 71 4.196 6.518 -12.719 1.00 0.00 C ATOM 1120 ND1 HIS A 71 4.639 6.502 -14.024 1.00 0.00 N ATOM 1121 CD2 HIS A 71 5.154 7.154 -12.005 1.00 0.00 C ATOM 1122 CE1 HIS A 71 5.814 7.101 -14.095 1.00 0.00 C ATOM 1123 NE2 HIS A 71 6.149 7.506 -12.884 1.00 0.00 N ATOM 0 H HIS A 71 1.005 4.492 -11.027 1.00 0.00 H new ATOM 0 HA HIS A 71 3.748 3.968 -12.016 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.282 5.725 -13.174 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.350 6.644 -11.684 1.00 0.00 H new ATOM 0 HD2 HIS A 71 5.139 7.348 -10.943 1.00 0.00 H new ATOM 0 HE1 HIS A 71 6.401 7.236 -14.991 1.00 0.00 H new ATOM 0 HE2 HIS A 71 7.007 8.000 -12.641 1.00 0.00 H new ATOM 1132 N VAL A 72 4.584 4.135 -9.687 1.00 0.00 N ATOM 1133 CA VAL A 72 5.200 4.317 -8.378 1.00 0.00 C ATOM 1134 C VAL A 72 6.588 4.934 -8.506 1.00 0.00 C ATOM 1135 O VAL A 72 7.412 4.476 -9.298 1.00 0.00 O ATOM 1136 CB VAL A 72 5.312 2.981 -7.620 1.00 0.00 C ATOM 1137 CG1 VAL A 72 6.088 3.166 -6.325 1.00 0.00 C ATOM 1138 CG2 VAL A 72 3.931 2.407 -7.346 1.00 0.00 C ATOM 0 H VAL A 72 4.972 3.366 -10.233 1.00 0.00 H new ATOM 0 HA VAL A 72 4.555 4.992 -7.815 1.00 0.00 H new ATOM 0 HB VAL A 72 5.857 2.273 -8.244 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.157 2.212 -5.803 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.090 3.530 -6.550 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.573 3.889 -5.693 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.029 1.463 -6.810 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.358 3.110 -6.741 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.414 2.236 -8.290 1.00 0.00 H new ATOM 1148 N ARG A 73 6.841 5.977 -7.721 1.00 0.00 N ATOM 1149 CA ARG A 73 8.129 6.658 -7.746 1.00 0.00 C ATOM 1150 C ARG A 73 8.924 6.366 -6.477 1.00 0.00 C ATOM 1151 O ARG A 73 8.727 7.009 -5.445 1.00 0.00 O ATOM 1152 CB ARG A 73 7.930 8.167 -7.900 1.00 0.00 C ATOM 1153 CG ARG A 73 7.523 8.588 -9.302 1.00 0.00 C ATOM 1154 CD ARG A 73 7.592 10.097 -9.473 1.00 0.00 C ATOM 1155 NE ARG A 73 6.374 10.757 -9.011 1.00 0.00 N ATOM 1156 CZ ARG A 73 6.154 12.061 -9.130 1.00 0.00 C ATOM 1157 NH1 ARG A 73 7.065 12.842 -9.694 1.00 0.00 N ATOM 1158 NH2 ARG A 73 5.020 12.588 -8.685 1.00 0.00 N ATOM 0 H ARG A 73 6.170 6.368 -7.060 1.00 0.00 H new ATOM 0 HA ARG A 73 8.692 6.284 -8.601 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.168 8.498 -7.195 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.856 8.676 -7.631 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.176 8.108 -10.031 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.509 8.244 -9.507 1.00 0.00 H new ATOM 0 HD2 ARG A 73 8.447 10.486 -8.920 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.757 10.335 -10.524 1.00 0.00 H new ATOM 0 HE ARG A 73 5.652 10.185 -8.573 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.938 12.441 -10.038 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.893 13.843 -9.784 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.316 11.991 -8.251 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.853 13.590 -8.777 1.00 0.00 H new ATOM 1172 N THR A 74 9.824 5.391 -6.559 1.00 0.00 N ATOM 1173 CA THR A 74 10.647 5.012 -5.418 1.00 0.00 C ATOM 1174 C THR A 74 11.959 5.788 -5.404 1.00 0.00 C ATOM 1175 O THR A 74 12.637 5.898 -6.426 1.00 0.00 O ATOM 1176 CB THR A 74 10.957 3.503 -5.425 1.00 0.00 C ATOM 1177 OG1 THR A 74 9.738 2.752 -5.437 1.00 0.00 O ATOM 1178 CG2 THR A 74 11.786 3.115 -4.210 1.00 0.00 C ATOM 0 H THR A 74 10.001 4.849 -7.405 1.00 0.00 H new ATOM 0 HA THR A 74 10.075 5.254 -4.522 1.00 0.00 H new ATOM 0 HB THR A 74 11.531 3.277 -6.324 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.944 1.794 -5.443 1.00 0.00 H new ATOM 0 HG21 THR A 74 11.992 2.045 -4.237 1.00 0.00 H new ATOM 0 HG22 THR A 74 12.726 3.666 -4.220 1.00 0.00 H new ATOM 0 HG23 THR A 74 11.234 3.355 -3.301 1.00 0.00 H new ATOM 1186 N SER A 75 12.311 6.326 -4.241 1.00 0.00 N ATOM 1187 CA SER A 75 13.541 7.095 -4.095 1.00 0.00 C ATOM 1188 C SER A 75 14.338 6.621 -2.884 1.00 0.00 C ATOM 1189 O SER A 75 13.774 6.343 -1.825 1.00 0.00 O ATOM 1190 CB SER A 75 13.222 8.585 -3.958 1.00 0.00 C ATOM 1191 OG SER A 75 14.283 9.382 -4.456 1.00 0.00 O ATOM 0 H SER A 75 11.761 6.243 -3.386 1.00 0.00 H new ATOM 0 HA SER A 75 14.145 6.940 -4.989 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.305 8.815 -4.500 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.042 8.827 -2.910 1.00 0.00 H new ATOM 0 HG SER A 75 14.054 10.330 -4.359 1.00 0.00 H new ATOM 1197 N ASP A 76 15.653 6.531 -3.048 1.00 0.00 N ATOM 1198 CA ASP A 76 16.530 6.092 -1.968 1.00 0.00 C ATOM 1199 C ASP A 76 16.010 6.570 -0.616 1.00 0.00 C ATOM 1200 O ASP A 76 16.159 5.885 0.396 1.00 0.00 O ATOM 1201 CB ASP A 76 17.951 6.610 -2.194 1.00 0.00 C ATOM 1202 CG ASP A 76 17.976 8.061 -2.632 1.00 0.00 C ATOM 1203 OD1 ASP A 76 17.760 8.322 -3.834 1.00 0.00 O ATOM 1204 OD2 ASP A 76 18.209 8.936 -1.772 1.00 0.00 O ATOM 0 H ASP A 76 16.135 6.756 -3.918 1.00 0.00 H new ATOM 0 HA ASP A 76 16.545 5.002 -1.966 1.00 0.00 H new ATOM 0 HB2 ASP A 76 18.525 6.502 -1.274 1.00 0.00 H new ATOM 0 HB3 ASP A 76 18.442 5.997 -2.950 1.00 0.00 H new ATOM 1209 N PHE A 77 15.399 7.750 -0.607 1.00 0.00 N ATOM 1210 CA PHE A 77 14.858 8.321 0.621 1.00 0.00 C ATOM 1211 C PHE A 77 13.495 7.718 0.947 1.00 0.00 C ATOM 1212 O PHE A 77 13.360 6.936 1.889 1.00 0.00 O ATOM 1213 CB PHE A 77 14.738 9.841 0.491 1.00 0.00 C ATOM 1214 CG PHE A 77 15.995 10.576 0.859 1.00 0.00 C ATOM 1215 CD1 PHE A 77 16.243 10.939 2.173 1.00 0.00 C ATOM 1216 CD2 PHE A 77 16.930 10.903 -0.110 1.00 0.00 C ATOM 1217 CE1 PHE A 77 17.399 11.615 2.514 1.00 0.00 C ATOM 1218 CE2 PHE A 77 18.089 11.578 0.226 1.00 0.00 C ATOM 1219 CZ PHE A 77 18.323 11.936 1.539 1.00 0.00 C ATOM 0 H PHE A 77 15.266 8.329 -1.436 1.00 0.00 H new ATOM 0 HA PHE A 77 15.544 8.085 1.435 1.00 0.00 H new ATOM 0 HB2 PHE A 77 14.469 10.090 -0.536 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.924 10.189 1.127 1.00 0.00 H new ATOM 0 HD1 PHE A 77 15.524 10.691 2.940 1.00 0.00 H new ATOM 0 HD2 PHE A 77 16.752 10.628 -1.139 1.00 0.00 H new ATOM 0 HE1 PHE A 77 17.580 11.892 3.542 1.00 0.00 H new ATOM 0 HE2 PHE A 77 18.811 11.825 -0.538 1.00 0.00 H new ATOM 0 HZ PHE A 77 19.226 12.466 1.803 1.00 0.00 H new ATOM 1229 N ASP A 78 12.489 8.087 0.163 1.00 0.00 N ATOM 1230 CA ASP A 78 11.136 7.582 0.367 1.00 0.00 C ATOM 1231 C ASP A 78 10.459 7.286 -0.968 1.00 0.00 C ATOM 1232 O ASP A 78 10.842 7.829 -2.005 1.00 0.00 O ATOM 1233 CB ASP A 78 10.306 8.593 1.160 1.00 0.00 C ATOM 1234 CG ASP A 78 10.295 9.965 0.516 1.00 0.00 C ATOM 1235 OD1 ASP A 78 9.776 10.087 -0.613 1.00 0.00 O ATOM 1236 OD2 ASP A 78 10.805 10.918 1.142 1.00 0.00 O ATOM 0 H ASP A 78 12.584 8.734 -0.620 1.00 0.00 H new ATOM 0 HA ASP A 78 11.203 6.653 0.934 1.00 0.00 H new ATOM 0 HB2 ASP A 78 9.283 8.228 1.249 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.705 8.673 2.171 1.00 0.00 H new ATOM 1241 N THR A 79 9.452 6.419 -0.936 1.00 0.00 N ATOM 1242 CA THR A 79 8.723 6.049 -2.142 1.00 0.00 C ATOM 1243 C THR A 79 7.399 6.798 -2.237 1.00 0.00 C ATOM 1244 O THR A 79 6.892 7.311 -1.240 1.00 0.00 O ATOM 1245 CB THR A 79 8.447 4.534 -2.189 1.00 0.00 C ATOM 1246 OG1 THR A 79 7.956 4.165 -3.483 1.00 0.00 O ATOM 1247 CG2 THR A 79 7.436 4.135 -1.125 1.00 0.00 C ATOM 0 H THR A 79 9.123 5.960 -0.087 1.00 0.00 H new ATOM 0 HA THR A 79 9.353 6.323 -2.988 1.00 0.00 H new ATOM 0 HB THR A 79 9.383 4.010 -1.993 1.00 0.00 H new ATOM 0 HG1 THR A 79 8.662 3.703 -3.981 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.257 3.061 -1.178 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.825 4.390 -0.139 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.500 4.667 -1.295 1.00 0.00 H new ATOM 1255 N VAL A 80 6.843 6.858 -3.443 1.00 0.00 N ATOM 1256 CA VAL A 80 5.576 7.544 -3.668 1.00 0.00 C ATOM 1257 C VAL A 80 4.632 6.691 -4.508 1.00 0.00 C ATOM 1258 O VAL A 80 5.054 6.027 -5.455 1.00 0.00 O ATOM 1259 CB VAL A 80 5.788 8.899 -4.369 1.00 0.00 C ATOM 1260 CG1 VAL A 80 4.452 9.565 -4.658 1.00 0.00 C ATOM 1261 CG2 VAL A 80 6.672 9.803 -3.523 1.00 0.00 C ATOM 0 H VAL A 80 7.250 6.440 -4.279 1.00 0.00 H new ATOM 0 HA VAL A 80 5.131 7.717 -2.688 1.00 0.00 H new ATOM 0 HB VAL A 80 6.292 8.722 -5.319 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.622 10.521 -5.153 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.857 8.921 -5.306 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.918 9.731 -3.722 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.812 10.756 -4.033 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.198 9.975 -2.557 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.641 9.327 -3.372 1.00 0.00 H new ATOM 1271 N PHE A 81 3.351 6.715 -4.156 1.00 0.00 N ATOM 1272 CA PHE A 81 2.345 5.944 -4.877 1.00 0.00 C ATOM 1273 C PHE A 81 1.316 6.865 -5.527 1.00 0.00 C ATOM 1274 O PHE A 81 0.882 7.849 -4.928 1.00 0.00 O ATOM 1275 CB PHE A 81 1.645 4.967 -3.930 1.00 0.00 C ATOM 1276 CG PHE A 81 0.449 4.294 -4.541 1.00 0.00 C ATOM 1277 CD1 PHE A 81 0.607 3.224 -5.407 1.00 0.00 C ATOM 1278 CD2 PHE A 81 -0.833 4.731 -4.248 1.00 0.00 C ATOM 1279 CE1 PHE A 81 -0.492 2.602 -5.970 1.00 0.00 C ATOM 1280 CE2 PHE A 81 -1.935 4.112 -4.808 1.00 0.00 C ATOM 1281 CZ PHE A 81 -1.764 3.047 -5.671 1.00 0.00 C ATOM 0 H PHE A 81 2.985 7.260 -3.376 1.00 0.00 H new ATOM 0 HA PHE A 81 2.849 5.380 -5.662 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.358 4.206 -3.614 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.332 5.503 -3.034 1.00 0.00 H new ATOM 0 HD1 PHE A 81 1.600 2.872 -5.645 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -0.973 5.564 -3.575 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -0.355 1.769 -6.643 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -2.929 4.461 -4.571 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.624 2.564 -6.111 1.00 0.00 H new ATOM 1291 N PHE A 82 0.932 6.538 -6.756 1.00 0.00 N ATOM 1292 CA PHE A 82 -0.044 7.336 -7.489 1.00 0.00 C ATOM 1293 C PHE A 82 -0.928 6.449 -8.361 1.00 0.00 C ATOM 1294 O PHE A 82 -0.530 5.352 -8.754 1.00 0.00 O ATOM 1295 CB PHE A 82 0.665 8.378 -8.357 1.00 0.00 C ATOM 1296 CG PHE A 82 -0.212 8.967 -9.424 1.00 0.00 C ATOM 1297 CD1 PHE A 82 -1.173 9.913 -9.106 1.00 0.00 C ATOM 1298 CD2 PHE A 82 -0.075 8.574 -10.746 1.00 0.00 C ATOM 1299 CE1 PHE A 82 -1.982 10.457 -10.087 1.00 0.00 C ATOM 1300 CE2 PHE A 82 -0.881 9.115 -11.731 1.00 0.00 C ATOM 1301 CZ PHE A 82 -1.836 10.056 -11.400 1.00 0.00 C ATOM 0 H PHE A 82 1.281 5.726 -7.265 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.676 7.847 -6.763 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.035 9.180 -7.718 1.00 0.00 H new ATOM 0 HB3 PHE A 82 1.534 7.917 -8.826 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -1.292 10.229 -8.080 1.00 0.00 H new ATOM 0 HD2 PHE A 82 0.669 7.837 -11.010 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -2.727 11.194 -9.826 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.764 8.802 -12.758 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.468 10.478 -12.167 1.00 0.00 H new ATOM 1311 N VAL A 83 -2.130 6.931 -8.660 1.00 0.00 N ATOM 1312 CA VAL A 83 -3.071 6.183 -9.485 1.00 0.00 C ATOM 1313 C VAL A 83 -3.922 7.120 -10.335 1.00 0.00 C ATOM 1314 O VAL A 83 -4.745 7.872 -9.813 1.00 0.00 O ATOM 1315 CB VAL A 83 -3.998 5.305 -8.624 1.00 0.00 C ATOM 1316 CG1 VAL A 83 -4.994 4.561 -9.500 1.00 0.00 C ATOM 1317 CG2 VAL A 83 -3.182 4.332 -7.786 1.00 0.00 C ATOM 0 H VAL A 83 -2.475 7.837 -8.343 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.479 5.542 -10.138 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.557 5.951 -7.948 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.640 3.946 -8.874 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.600 5.279 -10.052 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.456 3.924 -10.202 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.853 3.719 -7.184 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.595 3.690 -8.443 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.513 4.889 -7.130 1.00 0.00 H new ATOM 1327 N ARG A 84 -3.717 7.069 -11.647 1.00 0.00 N ATOM 1328 CA ARG A 84 -4.465 7.914 -12.570 1.00 0.00 C ATOM 1329 C ARG A 84 -5.898 8.114 -12.085 1.00 0.00 C ATOM 1330 O ARG A 84 -6.330 9.241 -11.845 1.00 0.00 O ATOM 1331 CB ARG A 84 -4.471 7.297 -13.970 1.00 0.00 C ATOM 1332 CG ARG A 84 -5.326 8.060 -14.969 1.00 0.00 C ATOM 1333 CD ARG A 84 -4.872 9.505 -15.101 1.00 0.00 C ATOM 1334 NE ARG A 84 -5.199 10.063 -16.410 1.00 0.00 N ATOM 1335 CZ ARG A 84 -4.657 11.177 -16.890 1.00 0.00 C ATOM 1336 NH1 ARG A 84 -3.766 11.848 -16.173 1.00 0.00 N ATOM 1337 NH2 ARG A 84 -5.006 11.622 -18.091 1.00 0.00 N ATOM 0 H ARG A 84 -3.039 6.452 -12.095 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.974 8.886 -12.611 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.447 7.251 -14.342 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -4.833 6.271 -13.904 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -5.275 7.571 -15.942 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.369 8.032 -14.653 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -5.343 10.106 -14.323 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.795 9.563 -14.941 1.00 0.00 H new ATOM 0 HE ARG A 84 -5.881 9.571 -16.987 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.495 11.509 -15.250 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.352 12.703 -16.545 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -5.691 11.109 -18.646 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.589 12.477 -18.459 1.00 0.00 H new ATOM 1351 N GLN A 85 -6.629 7.012 -11.944 1.00 0.00 N ATOM 1352 CA GLN A 85 -8.013 7.067 -11.489 1.00 0.00 C ATOM 1353 C GLN A 85 -8.325 5.903 -10.555 1.00 0.00 C ATOM 1354 O GLN A 85 -8.167 4.739 -10.923 1.00 0.00 O ATOM 1355 CB GLN A 85 -8.966 7.047 -12.685 1.00 0.00 C ATOM 1356 CG GLN A 85 -8.660 5.947 -13.688 1.00 0.00 C ATOM 1357 CD GLN A 85 -9.795 5.719 -14.668 1.00 0.00 C ATOM 1358 OE1 GLN A 85 -10.927 6.142 -14.434 1.00 0.00 O ATOM 1359 NE2 GLN A 85 -9.496 5.046 -15.773 1.00 0.00 N ATOM 0 H GLN A 85 -6.286 6.071 -12.138 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.152 7.998 -10.939 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.987 6.924 -12.323 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.921 8.011 -13.191 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.755 6.204 -14.239 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.455 5.020 -13.153 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.544 4.714 -15.926 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.219 4.861 -16.469 1.00 0.00 H new ATOM 1368 N ALA A 86 -8.769 6.225 -9.344 1.00 0.00 N ATOM 1369 CA ALA A 86 -9.105 5.205 -8.358 1.00 0.00 C ATOM 1370 C ALA A 86 -10.356 4.437 -8.767 1.00 0.00 C ATOM 1371 O ALA A 86 -11.101 4.868 -9.648 1.00 0.00 O ATOM 1372 CB ALA A 86 -9.297 5.839 -6.988 1.00 0.00 C ATOM 0 H ALA A 86 -8.904 7.184 -9.023 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.277 4.498 -8.307 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.547 5.066 -6.261 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.376 6.337 -6.685 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -10.105 6.569 -7.035 1.00 0.00 H new ATOM 1378 N ALA A 87 -10.582 3.296 -8.123 1.00 0.00 N ATOM 1379 CA ALA A 87 -11.745 2.469 -8.420 1.00 0.00 C ATOM 1380 C ALA A 87 -12.032 1.497 -7.280 1.00 0.00 C ATOM 1381 O ALA A 87 -11.112 0.975 -6.650 1.00 0.00 O ATOM 1382 CB ALA A 87 -11.534 1.710 -9.722 1.00 0.00 C ATOM 0 H ALA A 87 -9.975 2.924 -7.393 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.608 3.125 -8.530 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -12.410 1.096 -9.932 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.384 2.419 -10.536 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.656 1.070 -9.632 1.00 0.00 H new ATOM 1388 N ARG A 88 -13.314 1.259 -7.020 1.00 0.00 N ATOM 1389 CA ARG A 88 -13.722 0.352 -5.955 1.00 0.00 C ATOM 1390 C ARG A 88 -12.787 -0.852 -5.878 1.00 0.00 C ATOM 1391 O ARG A 88 -12.572 -1.416 -4.806 1.00 0.00 O ATOM 1392 CB ARG A 88 -15.160 -0.120 -6.180 1.00 0.00 C ATOM 1393 CG ARG A 88 -16.206 0.816 -5.596 1.00 0.00 C ATOM 1394 CD ARG A 88 -17.564 0.609 -6.248 1.00 0.00 C ATOM 1395 NE ARG A 88 -18.214 -0.613 -5.782 1.00 0.00 N ATOM 1396 CZ ARG A 88 -18.873 -0.702 -4.632 1.00 0.00 C ATOM 1397 NH1 ARG A 88 -18.969 0.353 -3.836 1.00 0.00 N ATOM 1398 NH2 ARG A 88 -19.438 -1.849 -4.278 1.00 0.00 N ATOM 0 H ARG A 88 -14.087 1.682 -7.533 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.668 0.894 -5.011 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.336 -0.225 -7.251 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -15.282 -1.109 -5.738 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -16.287 0.648 -4.522 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -15.889 1.850 -5.734 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -18.204 1.465 -6.033 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -17.444 0.565 -7.330 1.00 0.00 H new ATOM 0 HE ARG A 88 -18.159 -1.443 -6.372 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -18.536 1.236 -4.106 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -19.476 0.282 -2.954 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -19.366 -2.663 -4.889 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -19.944 -1.917 -3.395 1.00 0.00 H new ATOM 1412 N SER A 89 -12.233 -1.239 -7.023 1.00 0.00 N ATOM 1413 CA SER A 89 -11.325 -2.378 -7.087 1.00 0.00 C ATOM 1414 C SER A 89 -10.100 -2.145 -6.208 1.00 0.00 C ATOM 1415 O SER A 89 -9.774 -2.963 -5.348 1.00 0.00 O ATOM 1416 CB SER A 89 -10.890 -2.630 -8.531 1.00 0.00 C ATOM 1417 OG SER A 89 -10.307 -3.914 -8.671 1.00 0.00 O ATOM 0 H SER A 89 -12.397 -0.780 -7.919 1.00 0.00 H new ATOM 0 HA SER A 89 -11.855 -3.256 -6.717 1.00 0.00 H new ATOM 0 HB2 SER A 89 -11.751 -2.544 -9.194 1.00 0.00 H new ATOM 0 HB3 SER A 89 -10.174 -1.867 -8.837 1.00 0.00 H new ATOM 0 HG SER A 89 -10.039 -4.052 -9.603 1.00 0.00 H new ATOM 1423 N ASP A 90 -9.425 -1.022 -6.431 1.00 0.00 N ATOM 1424 CA ASP A 90 -8.235 -0.679 -5.660 1.00 0.00 C ATOM 1425 C ASP A 90 -8.396 -1.091 -4.201 1.00 0.00 C ATOM 1426 O ASP A 90 -7.501 -1.701 -3.615 1.00 0.00 O ATOM 1427 CB ASP A 90 -7.958 0.822 -5.752 1.00 0.00 C ATOM 1428 CG ASP A 90 -7.485 1.241 -7.130 1.00 0.00 C ATOM 1429 OD1 ASP A 90 -8.306 1.217 -8.072 1.00 0.00 O ATOM 1430 OD2 ASP A 90 -6.295 1.593 -7.267 1.00 0.00 O ATOM 0 H ASP A 90 -9.682 -0.334 -7.139 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.389 -1.223 -6.081 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.865 1.372 -5.500 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -7.204 1.095 -5.014 1.00 0.00 H new ATOM 1435 N SER A 91 -9.543 -0.754 -3.619 1.00 0.00 N ATOM 1436 CA SER A 91 -9.819 -1.084 -2.226 1.00 0.00 C ATOM 1437 C SER A 91 -9.221 -2.439 -1.860 1.00 0.00 C ATOM 1438 O SER A 91 -9.599 -3.469 -2.418 1.00 0.00 O ATOM 1439 CB SER A 91 -11.328 -1.095 -1.972 1.00 0.00 C ATOM 1440 OG SER A 91 -11.926 0.115 -2.404 1.00 0.00 O ATOM 0 H SER A 91 -10.296 -0.253 -4.091 1.00 0.00 H new ATOM 0 HA SER A 91 -9.357 -0.321 -1.599 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.782 -1.936 -2.496 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.520 -1.240 -0.909 1.00 0.00 H new ATOM 0 HG SER A 91 -12.322 -0.014 -3.291 1.00 0.00 H new ATOM 1446 N GLY A 92 -8.283 -2.431 -0.917 1.00 0.00 N ATOM 1447 CA GLY A 92 -7.647 -3.664 -0.492 1.00 0.00 C ATOM 1448 C GLY A 92 -6.639 -3.443 0.618 1.00 0.00 C ATOM 1449 O GLY A 92 -6.820 -2.568 1.464 1.00 0.00 O ATOM 0 H GLY A 92 -7.953 -1.592 -0.440 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.410 -4.364 -0.152 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.149 -4.125 -1.345 1.00 0.00 H new ATOM 1453 N GLU A 93 -5.575 -4.240 0.616 1.00 0.00 N ATOM 1454 CA GLU A 93 -4.536 -4.129 1.633 1.00 0.00 C ATOM 1455 C GLU A 93 -3.152 -4.072 0.993 1.00 0.00 C ATOM 1456 O GLU A 93 -2.655 -5.071 0.473 1.00 0.00 O ATOM 1457 CB GLU A 93 -4.613 -5.309 2.604 1.00 0.00 C ATOM 1458 CG GLU A 93 -3.917 -5.052 3.931 1.00 0.00 C ATOM 1459 CD GLU A 93 -4.366 -6.007 5.019 1.00 0.00 C ATOM 1460 OE1 GLU A 93 -3.820 -7.128 5.088 1.00 0.00 O ATOM 1461 OE2 GLU A 93 -5.264 -5.633 5.803 1.00 0.00 O ATOM 0 H GLU A 93 -5.410 -4.969 -0.078 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.701 -3.203 2.184 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.660 -5.546 2.792 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.168 -6.186 2.133 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.839 -5.142 3.795 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.114 -4.028 4.248 1.00 0.00 H new ATOM 1468 N TYR A 94 -2.535 -2.896 1.035 1.00 0.00 N ATOM 1469 CA TYR A 94 -1.210 -2.707 0.456 1.00 0.00 C ATOM 1470 C TYR A 94 -0.121 -3.045 1.469 1.00 0.00 C ATOM 1471 O TYR A 94 -0.052 -2.450 2.544 1.00 0.00 O ATOM 1472 CB TYR A 94 -1.043 -1.265 -0.027 1.00 0.00 C ATOM 1473 CG TYR A 94 -1.716 -0.989 -1.353 1.00 0.00 C ATOM 1474 CD1 TYR A 94 -2.986 -1.483 -1.626 1.00 0.00 C ATOM 1475 CD2 TYR A 94 -1.083 -0.234 -2.332 1.00 0.00 C ATOM 1476 CE1 TYR A 94 -3.604 -1.234 -2.835 1.00 0.00 C ATOM 1477 CE2 TYR A 94 -1.694 0.021 -3.544 1.00 0.00 C ATOM 1478 CZ TYR A 94 -2.955 -0.481 -3.791 1.00 0.00 C ATOM 1479 OH TYR A 94 -3.568 -0.229 -4.997 1.00 0.00 O ATOM 0 H TYR A 94 -2.931 -2.060 1.464 1.00 0.00 H new ATOM 0 HA TYR A 94 -1.113 -3.382 -0.395 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.450 -0.589 0.725 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.020 -1.041 -0.115 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.498 -2.072 -0.879 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.096 0.161 -2.142 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.591 -1.627 -3.031 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -1.187 0.610 -4.294 1.00 0.00 H new ATOM 0 HH TYR A 94 -2.977 0.316 -5.557 1.00 0.00 H new ATOM 1489 N GLU A 95 0.729 -4.004 1.116 1.00 0.00 N ATOM 1490 CA GLU A 95 1.816 -4.422 1.994 1.00 0.00 C ATOM 1491 C GLU A 95 3.147 -3.841 1.527 1.00 0.00 C ATOM 1492 O GLU A 95 3.574 -4.069 0.394 1.00 0.00 O ATOM 1493 CB GLU A 95 1.903 -5.949 2.043 1.00 0.00 C ATOM 1494 CG GLU A 95 2.835 -6.471 3.123 1.00 0.00 C ATOM 1495 CD GLU A 95 3.290 -7.895 2.864 1.00 0.00 C ATOM 1496 OE1 GLU A 95 2.556 -8.830 3.246 1.00 0.00 O ATOM 1497 OE2 GLU A 95 4.379 -8.073 2.279 1.00 0.00 O ATOM 0 H GLU A 95 0.686 -4.506 0.229 1.00 0.00 H new ATOM 0 HA GLU A 95 1.606 -4.045 2.995 1.00 0.00 H new ATOM 0 HB2 GLU A 95 0.905 -6.356 2.208 1.00 0.00 H new ATOM 0 HB3 GLU A 95 2.241 -6.317 1.074 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.708 -5.821 3.190 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.329 -6.425 4.087 1.00 0.00 H new ATOM 1504 N LEU A 96 3.798 -3.087 2.406 1.00 0.00 N ATOM 1505 CA LEU A 96 5.080 -2.471 2.085 1.00 0.00 C ATOM 1506 C LEU A 96 6.209 -3.117 2.883 1.00 0.00 C ATOM 1507 O LEU A 96 6.135 -3.225 4.107 1.00 0.00 O ATOM 1508 CB LEU A 96 5.033 -0.969 2.372 1.00 0.00 C ATOM 1509 CG LEU A 96 5.949 -0.093 1.516 1.00 0.00 C ATOM 1510 CD1 LEU A 96 5.975 1.331 2.048 1.00 0.00 C ATOM 1511 CD2 LEU A 96 7.355 -0.674 1.473 1.00 0.00 C ATOM 0 H LEU A 96 3.459 -2.888 3.347 1.00 0.00 H new ATOM 0 HA LEU A 96 5.274 -2.626 1.024 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.007 -0.626 2.239 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.288 -0.811 3.420 1.00 0.00 H new ATOM 0 HG LEU A 96 5.555 -0.072 0.500 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.632 1.940 1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 96 4.967 1.746 2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.345 1.330 3.073 1.00 0.00 H new ATOM 0 HD21 LEU A 96 7.993 -0.038 0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.759 -0.725 2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.322 -1.676 1.044 1.00 0.00 H new ATOM 1523 N SER A 97 7.254 -3.543 2.180 1.00 0.00 N ATOM 1524 CA SER A 97 8.398 -4.179 2.822 1.00 0.00 C ATOM 1525 C SER A 97 9.708 -3.603 2.293 1.00 0.00 C ATOM 1526 O SER A 97 9.828 -3.290 1.108 1.00 0.00 O ATOM 1527 CB SER A 97 8.363 -5.691 2.592 1.00 0.00 C ATOM 1528 OG SER A 97 7.232 -6.276 3.214 1.00 0.00 O ATOM 0 H SER A 97 7.332 -3.459 1.166 1.00 0.00 H new ATOM 0 HA SER A 97 8.340 -3.980 3.892 1.00 0.00 H new ATOM 0 HB2 SER A 97 8.342 -5.899 1.522 1.00 0.00 H new ATOM 0 HB3 SER A 97 9.273 -6.143 2.986 1.00 0.00 H new ATOM 0 HG SER A 97 7.232 -7.242 3.051 1.00 0.00 H new ATOM 1534 N VAL A 98 10.688 -3.466 3.180 1.00 0.00 N ATOM 1535 CA VAL A 98 11.991 -2.929 2.803 1.00 0.00 C ATOM 1536 C VAL A 98 13.073 -3.999 2.891 1.00 0.00 C ATOM 1537 O VAL A 98 13.190 -4.696 3.898 1.00 0.00 O ATOM 1538 CB VAL A 98 12.387 -1.739 3.698 1.00 0.00 C ATOM 1539 CG1 VAL A 98 13.845 -1.367 3.477 1.00 0.00 C ATOM 1540 CG2 VAL A 98 11.478 -0.549 3.434 1.00 0.00 C ATOM 0 H VAL A 98 10.605 -3.719 4.165 1.00 0.00 H new ATOM 0 HA VAL A 98 11.906 -2.587 1.772 1.00 0.00 H new ATOM 0 HB VAL A 98 12.267 -2.034 4.740 1.00 0.00 H new ATOM 0 HG11 VAL A 98 14.107 -0.525 4.117 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.479 -2.219 3.721 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.996 -1.090 2.434 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.772 0.282 4.075 1.00 0.00 H new ATOM 0 HG22 VAL A 98 11.564 -0.250 2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.446 -0.825 3.649 1.00 0.00 H new ATOM 1550 N GLN A 99 13.861 -4.124 1.828 1.00 0.00 N ATOM 1551 CA GLN A 99 14.934 -5.110 1.785 1.00 0.00 C ATOM 1552 C GLN A 99 16.289 -4.452 2.029 1.00 0.00 C ATOM 1553 O GLN A 99 16.584 -3.394 1.473 1.00 0.00 O ATOM 1554 CB GLN A 99 14.940 -5.830 0.436 1.00 0.00 C ATOM 1555 CG GLN A 99 15.531 -7.229 0.495 1.00 0.00 C ATOM 1556 CD GLN A 99 15.060 -8.111 -0.644 1.00 0.00 C ATOM 1557 OE1 GLN A 99 15.752 -8.270 -1.650 1.00 0.00 O ATOM 1558 NE2 GLN A 99 13.875 -8.691 -0.493 1.00 0.00 N ATOM 0 H GLN A 99 13.777 -3.555 0.986 1.00 0.00 H new ATOM 0 HA GLN A 99 14.756 -5.838 2.577 1.00 0.00 H new ATOM 0 HB2 GLN A 99 13.918 -5.892 0.062 1.00 0.00 H new ATOM 0 HB3 GLN A 99 15.506 -5.236 -0.281 1.00 0.00 H new ATOM 0 HG2 GLN A 99 16.619 -7.161 0.471 1.00 0.00 H new ATOM 0 HG3 GLN A 99 15.262 -7.693 1.444 1.00 0.00 H new ATOM 0 HE21 GLN A 99 13.334 -8.532 0.357 1.00 0.00 H new ATOM 0 HE22 GLN A 99 13.506 -9.295 -1.227 1.00 0.00 H new ATOM 1567 N ILE A 100 17.106 -5.085 2.864 1.00 0.00 N ATOM 1568 CA ILE A 100 18.429 -4.561 3.181 1.00 0.00 C ATOM 1569 C ILE A 100 19.483 -5.662 3.130 1.00 0.00 C ATOM 1570 O ILE A 100 19.161 -6.846 3.214 1.00 0.00 O ATOM 1571 CB ILE A 100 18.455 -3.903 4.573 1.00 0.00 C ATOM 1572 CG1 ILE A 100 17.291 -2.921 4.720 1.00 0.00 C ATOM 1573 CG2 ILE A 100 19.783 -3.196 4.800 1.00 0.00 C ATOM 1574 CD1 ILE A 100 17.499 -1.621 3.975 1.00 0.00 C ATOM 0 H ILE A 100 16.875 -5.961 3.333 1.00 0.00 H new ATOM 0 HA ILE A 100 18.659 -3.807 2.428 1.00 0.00 H new ATOM 0 HB ILE A 100 18.346 -4.682 5.328 1.00 0.00 H new ATOM 0 HG12 ILE A 100 16.378 -3.395 4.359 1.00 0.00 H new ATOM 0 HG13 ILE A 100 17.141 -2.704 5.778 1.00 0.00 H new ATOM 0 HG21 ILE A 100 19.786 -2.736 5.788 1.00 0.00 H new ATOM 0 HG22 ILE A 100 20.596 -3.919 4.734 1.00 0.00 H new ATOM 0 HG23 ILE A 100 19.920 -2.426 4.041 1.00 0.00 H new ATOM 0 HD11 ILE A 100 16.635 -0.974 4.124 1.00 0.00 H new ATOM 0 HD12 ILE A 100 18.393 -1.125 4.352 1.00 0.00 H new ATOM 0 HD13 ILE A 100 17.619 -1.826 2.911 1.00 0.00 H new ATOM 1586 N GLU A 101 20.743 -5.261 2.995 1.00 0.00 N ATOM 1587 CA GLU A 101 21.845 -6.215 2.935 1.00 0.00 C ATOM 1588 C GLU A 101 21.549 -7.442 3.793 1.00 0.00 C ATOM 1589 O GLU A 101 21.381 -8.546 3.277 1.00 0.00 O ATOM 1590 CB GLU A 101 23.145 -5.556 3.400 1.00 0.00 C ATOM 1591 CG GLU A 101 23.786 -4.666 2.349 1.00 0.00 C ATOM 1592 CD GLU A 101 25.292 -4.575 2.500 1.00 0.00 C ATOM 1593 OE1 GLU A 101 25.760 -4.312 3.628 1.00 0.00 O ATOM 1594 OE2 GLU A 101 26.003 -4.768 1.492 1.00 0.00 O ATOM 0 H GLU A 101 21.026 -4.284 2.925 1.00 0.00 H new ATOM 0 HA GLU A 101 21.959 -6.535 1.899 1.00 0.00 H new ATOM 0 HB2 GLU A 101 22.943 -4.963 4.292 1.00 0.00 H new ATOM 0 HB3 GLU A 101 23.854 -6.333 3.687 1.00 0.00 H new ATOM 0 HG2 GLU A 101 23.547 -5.051 1.358 1.00 0.00 H new ATOM 0 HG3 GLU A 101 23.357 -3.666 2.415 1.00 0.00 H new ATOM 1601 N ASN A 102 21.488 -7.239 5.105 1.00 0.00 N ATOM 1602 CA ASN A 102 21.214 -8.329 6.034 1.00 0.00 C ATOM 1603 C ASN A 102 20.037 -7.986 6.943 1.00 0.00 C ATOM 1604 O ASN A 102 19.901 -8.538 8.034 1.00 0.00 O ATOM 1605 CB ASN A 102 22.453 -8.630 6.879 1.00 0.00 C ATOM 1606 CG ASN A 102 22.420 -10.023 7.478 1.00 0.00 C ATOM 1607 OD1 ASN A 102 21.435 -10.749 7.336 1.00 0.00 O ATOM 1608 ND2 ASN A 102 23.498 -10.402 8.154 1.00 0.00 N ATOM 0 H ASN A 102 21.624 -6.331 5.548 1.00 0.00 H new ATOM 0 HA ASN A 102 20.955 -9.213 5.451 1.00 0.00 H new ATOM 0 HB2 ASN A 102 23.345 -8.524 6.262 1.00 0.00 H new ATOM 0 HB3 ASN A 102 22.531 -7.895 7.680 1.00 0.00 H new ATOM 0 HD21 ASN A 102 23.533 -11.328 8.581 1.00 0.00 H new ATOM 0 HD22 ASN A 102 24.291 -9.768 8.246 1.00 0.00 H new ATOM 1615 N MET A 103 19.189 -7.071 6.484 1.00 0.00 N ATOM 1616 CA MET A 103 18.023 -6.656 7.255 1.00 0.00 C ATOM 1617 C MET A 103 16.806 -6.485 6.350 1.00 0.00 C ATOM 1618 O MET A 103 16.938 -6.347 5.134 1.00 0.00 O ATOM 1619 CB MET A 103 18.312 -5.347 7.992 1.00 0.00 C ATOM 1620 CG MET A 103 19.338 -5.490 9.105 1.00 0.00 C ATOM 1621 SD MET A 103 19.228 -4.167 10.325 1.00 0.00 S ATOM 1622 CE MET A 103 17.646 -4.534 11.081 1.00 0.00 C ATOM 0 H MET A 103 19.287 -6.603 5.583 1.00 0.00 H new ATOM 0 HA MET A 103 17.805 -7.435 7.985 1.00 0.00 H new ATOM 0 HB2 MET A 103 18.667 -4.607 7.275 1.00 0.00 H new ATOM 0 HB3 MET A 103 17.382 -4.964 8.413 1.00 0.00 H new ATOM 0 HG2 MET A 103 19.198 -6.450 9.602 1.00 0.00 H new ATOM 0 HG3 MET A 103 20.339 -5.498 8.673 1.00 0.00 H new ATOM 0 HE1 MET A 103 17.468 -3.844 11.906 1.00 0.00 H new ATOM 0 HE2 MET A 103 16.854 -4.425 10.340 1.00 0.00 H new ATOM 0 HE3 MET A 103 17.652 -5.557 11.458 1.00 0.00 H new ATOM 1632 N LYS A 104 15.621 -6.496 6.951 1.00 0.00 N ATOM 1633 CA LYS A 104 14.381 -6.342 6.201 1.00 0.00 C ATOM 1634 C LYS A 104 13.270 -5.796 7.093 1.00 0.00 C ATOM 1635 O LYS A 104 13.353 -5.870 8.319 1.00 0.00 O ATOM 1636 CB LYS A 104 13.954 -7.683 5.600 1.00 0.00 C ATOM 1637 CG LYS A 104 12.877 -7.558 4.537 1.00 0.00 C ATOM 1638 CD LYS A 104 12.437 -8.919 4.025 1.00 0.00 C ATOM 1639 CE LYS A 104 11.299 -9.487 4.860 1.00 0.00 C ATOM 1640 NZ LYS A 104 11.798 -10.171 6.085 1.00 0.00 N ATOM 0 H LYS A 104 15.494 -6.610 7.957 1.00 0.00 H new ATOM 0 HA LYS A 104 14.559 -5.630 5.395 1.00 0.00 H new ATOM 0 HB2 LYS A 104 14.826 -8.171 5.166 1.00 0.00 H new ATOM 0 HB3 LYS A 104 13.591 -8.330 6.398 1.00 0.00 H new ATOM 0 HG2 LYS A 104 12.018 -7.028 4.949 1.00 0.00 H new ATOM 0 HG3 LYS A 104 13.252 -6.960 3.707 1.00 0.00 H new ATOM 0 HD2 LYS A 104 12.119 -8.833 2.986 1.00 0.00 H new ATOM 0 HD3 LYS A 104 13.282 -9.607 4.044 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.620 -8.683 5.144 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.724 -10.192 4.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.163 -10.959 6.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 12.756 -10.538 5.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.824 -9.494 6.874 1.00 0.00 H new ATOM 1654 N ASP A 105 12.232 -5.250 6.470 1.00 0.00 N ATOM 1655 CA ASP A 105 11.103 -4.693 7.207 1.00 0.00 C ATOM 1656 C ASP A 105 9.788 -4.996 6.496 1.00 0.00 C ATOM 1657 O ASP A 105 9.774 -5.353 5.318 1.00 0.00 O ATOM 1658 CB ASP A 105 11.271 -3.183 7.375 1.00 0.00 C ATOM 1659 CG ASP A 105 10.484 -2.640 8.552 1.00 0.00 C ATOM 1660 OD1 ASP A 105 9.245 -2.538 8.441 1.00 0.00 O ATOM 1661 OD2 ASP A 105 11.108 -2.318 9.584 1.00 0.00 O ATOM 0 H ASP A 105 12.148 -5.181 5.456 1.00 0.00 H new ATOM 0 HA ASP A 105 11.078 -5.159 8.192 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.327 -2.951 7.510 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.948 -2.681 6.463 1.00 0.00 H new ATOM 1666 N THR A 106 8.683 -4.851 7.220 1.00 0.00 N ATOM 1667 CA THR A 106 7.362 -5.110 6.660 1.00 0.00 C ATOM 1668 C THR A 106 6.331 -4.130 7.208 1.00 0.00 C ATOM 1669 O THR A 106 6.466 -3.632 8.325 1.00 0.00 O ATOM 1670 CB THR A 106 6.898 -6.548 6.960 1.00 0.00 C ATOM 1671 OG1 THR A 106 6.909 -6.782 8.372 1.00 0.00 O ATOM 1672 CG2 THR A 106 7.794 -7.562 6.265 1.00 0.00 C ATOM 0 H THR A 106 8.676 -4.555 8.196 1.00 0.00 H new ATOM 0 HA THR A 106 7.444 -4.980 5.581 1.00 0.00 H new ATOM 0 HB THR A 106 5.883 -6.665 6.581 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.611 -7.698 8.554 1.00 0.00 H new ATOM 0 HG21 THR A 106 7.447 -8.570 6.492 1.00 0.00 H new ATOM 0 HG22 THR A 106 7.759 -7.400 5.188 1.00 0.00 H new ATOM 0 HG23 THR A 106 8.819 -7.444 6.617 1.00 0.00 H new ATOM 1680 N ALA A 107 5.300 -3.859 6.415 1.00 0.00 N ATOM 1681 CA ALA A 107 4.243 -2.941 6.822 1.00 0.00 C ATOM 1682 C ALA A 107 2.937 -3.252 6.100 1.00 0.00 C ATOM 1683 O ALA A 107 2.938 -3.834 5.014 1.00 0.00 O ATOM 1684 CB ALA A 107 4.664 -1.502 6.559 1.00 0.00 C ATOM 0 H ALA A 107 5.174 -4.262 5.487 1.00 0.00 H new ATOM 0 HA ALA A 107 4.076 -3.070 7.891 1.00 0.00 H new ATOM 0 HB1 ALA A 107 3.866 -0.827 6.867 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.568 -1.278 7.126 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.861 -1.369 5.495 1.00 0.00 H new ATOM 1690 N THR A 108 1.822 -2.861 6.709 1.00 0.00 N ATOM 1691 CA THR A 108 0.508 -3.100 6.125 1.00 0.00 C ATOM 1692 C THR A 108 -0.265 -1.796 5.958 1.00 0.00 C ATOM 1693 O THR A 108 -0.195 -0.910 6.809 1.00 0.00 O ATOM 1694 CB THR A 108 -0.322 -4.069 6.987 1.00 0.00 C ATOM 1695 OG1 THR A 108 0.346 -5.331 7.087 1.00 0.00 O ATOM 1696 CG2 THR A 108 -1.709 -4.269 6.394 1.00 0.00 C ATOM 0 H THR A 108 1.803 -2.377 7.607 1.00 0.00 H new ATOM 0 HA THR A 108 0.674 -3.549 5.146 1.00 0.00 H new ATOM 0 HB THR A 108 -0.428 -3.635 7.981 1.00 0.00 H new ATOM 0 HG1 THR A 108 -0.188 -5.941 7.638 1.00 0.00 H new ATOM 0 HG21 THR A 108 -2.277 -4.957 7.020 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.226 -3.311 6.347 1.00 0.00 H new ATOM 0 HG23 THR A 108 -1.619 -4.682 5.389 1.00 0.00 H new ATOM 1704 N ILE A 109 -1.002 -1.688 4.858 1.00 0.00 N ATOM 1705 CA ILE A 109 -1.789 -0.493 4.581 1.00 0.00 C ATOM 1706 C ILE A 109 -3.177 -0.856 4.064 1.00 0.00 C ATOM 1707 O ILE A 109 -3.324 -1.739 3.219 1.00 0.00 O ATOM 1708 CB ILE A 109 -1.092 0.416 3.552 1.00 0.00 C ATOM 1709 CG1 ILE A 109 0.235 0.932 4.112 1.00 0.00 C ATOM 1710 CG2 ILE A 109 -1.998 1.576 3.168 1.00 0.00 C ATOM 1711 CD1 ILE A 109 1.136 1.546 3.062 1.00 0.00 C ATOM 0 H ILE A 109 -1.071 -2.413 4.144 1.00 0.00 H new ATOM 0 HA ILE A 109 -1.884 0.046 5.523 1.00 0.00 H new ATOM 0 HB ILE A 109 -0.885 -0.168 2.655 1.00 0.00 H new ATOM 0 HG12 ILE A 109 0.030 1.675 4.883 1.00 0.00 H new ATOM 0 HG13 ILE A 109 0.761 0.108 4.594 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -1.490 2.209 2.440 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -2.919 1.189 2.733 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -2.235 2.162 4.056 1.00 0.00 H new ATOM 0 HD11 ILE A 109 2.058 1.890 3.530 1.00 0.00 H new ATOM 0 HD12 ILE A 109 1.371 0.800 2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.629 2.391 2.596 1.00 0.00 H new ATOM 1723 N ARG A 110 -4.192 -0.168 4.576 1.00 0.00 N ATOM 1724 CA ARG A 110 -5.569 -0.418 4.165 1.00 0.00 C ATOM 1725 C ARG A 110 -6.110 0.748 3.342 1.00 0.00 C ATOM 1726 O ARG A 110 -6.113 1.892 3.796 1.00 0.00 O ATOM 1727 CB ARG A 110 -6.455 -0.647 5.390 1.00 0.00 C ATOM 1728 CG ARG A 110 -6.315 -2.035 5.992 1.00 0.00 C ATOM 1729 CD ARG A 110 -7.327 -2.265 7.104 1.00 0.00 C ATOM 1730 NE ARG A 110 -6.965 -1.556 8.329 1.00 0.00 N ATOM 1731 CZ ARG A 110 -6.024 -1.975 9.169 1.00 0.00 C ATOM 1732 NH1 ARG A 110 -5.355 -3.091 8.917 1.00 0.00 N ATOM 1733 NH2 ARG A 110 -5.751 -1.275 10.263 1.00 0.00 N ATOM 0 H ARG A 110 -4.087 0.567 5.276 1.00 0.00 H new ATOM 0 HA ARG A 110 -5.581 -1.314 3.545 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -6.209 0.096 6.149 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -7.496 -0.485 5.110 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -6.451 -2.786 5.214 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -5.306 -2.162 6.385 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -8.312 -1.936 6.772 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -7.401 -3.332 7.311 1.00 0.00 H new ATOM 0 HE ARG A 110 -7.461 -0.693 8.552 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -5.562 -3.631 8.077 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -4.633 -3.410 9.563 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -6.263 -0.415 10.459 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -5.029 -1.597 10.907 1.00 0.00 H new ATOM 1747 N ILE A 111 -6.567 0.448 2.131 1.00 0.00 N ATOM 1748 CA ILE A 111 -7.111 1.470 1.246 1.00 0.00 C ATOM 1749 C ILE A 111 -8.590 1.225 0.966 1.00 0.00 C ATOM 1750 O ILE A 111 -8.989 0.116 0.610 1.00 0.00 O ATOM 1751 CB ILE A 111 -6.349 1.521 -0.091 1.00 0.00 C ATOM 1752 CG1 ILE A 111 -4.876 1.857 0.149 1.00 0.00 C ATOM 1753 CG2 ILE A 111 -6.985 2.541 -1.025 1.00 0.00 C ATOM 1754 CD1 ILE A 111 -4.063 1.955 -1.123 1.00 0.00 C ATOM 0 H ILE A 111 -6.571 -0.494 1.740 1.00 0.00 H new ATOM 0 HA ILE A 111 -6.994 2.425 1.758 1.00 0.00 H new ATOM 0 HB ILE A 111 -6.406 0.540 -0.562 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -4.811 2.803 0.686 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -4.438 1.094 0.793 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -6.435 2.565 -1.966 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -8.021 2.262 -1.217 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -6.955 3.527 -0.562 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.029 2.196 -0.876 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.098 1.002 -1.651 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.476 2.738 -1.759 1.00 0.00 H new ATOM 1766 N ARG A 112 -9.399 2.267 1.128 1.00 0.00 N ATOM 1767 CA ARG A 112 -10.834 2.165 0.892 1.00 0.00 C ATOM 1768 C ARG A 112 -11.292 3.200 -0.131 1.00 0.00 C ATOM 1769 O ARG A 112 -10.954 4.379 -0.030 1.00 0.00 O ATOM 1770 CB ARG A 112 -11.602 2.352 2.202 1.00 0.00 C ATOM 1771 CG ARG A 112 -13.111 2.380 2.024 1.00 0.00 C ATOM 1772 CD ARG A 112 -13.831 2.302 3.362 1.00 0.00 C ATOM 1773 NE ARG A 112 -15.194 1.797 3.220 1.00 0.00 N ATOM 1774 CZ ARG A 112 -16.120 1.905 4.167 1.00 0.00 C ATOM 1775 NH1 ARG A 112 -15.830 2.498 5.317 1.00 0.00 N ATOM 1776 NH2 ARG A 112 -17.338 1.420 3.964 1.00 0.00 N ATOM 0 H ARG A 112 -9.085 3.192 1.422 1.00 0.00 H new ATOM 0 HA ARG A 112 -11.042 1.171 0.495 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -11.340 1.544 2.885 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -11.283 3.283 2.671 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -13.401 3.295 1.506 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -13.420 1.546 1.394 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -13.272 1.654 4.037 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -13.856 3.291 3.818 1.00 0.00 H new ATOM 0 HE ARG A 112 -15.449 1.336 2.346 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -14.895 2.872 5.476 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -16.542 2.580 6.042 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -17.564 0.964 3.080 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -18.048 1.503 4.692 1.00 0.00 H new ATOM 1790 N VAL A 113 -12.062 2.750 -1.116 1.00 0.00 N ATOM 1791 CA VAL A 113 -12.567 3.636 -2.158 1.00 0.00 C ATOM 1792 C VAL A 113 -14.086 3.744 -2.098 1.00 0.00 C ATOM 1793 O VAL A 113 -14.778 2.769 -1.807 1.00 0.00 O ATOM 1794 CB VAL A 113 -12.153 3.148 -3.559 1.00 0.00 C ATOM 1795 CG1 VAL A 113 -12.969 3.852 -4.633 1.00 0.00 C ATOM 1796 CG2 VAL A 113 -10.664 3.368 -3.781 1.00 0.00 C ATOM 0 H VAL A 113 -12.350 1.776 -1.214 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.128 4.618 -1.979 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.354 2.079 -3.626 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -12.662 3.494 -5.616 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -14.028 3.639 -4.483 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.802 4.927 -4.570 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.389 3.018 -4.776 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -10.436 4.430 -3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.099 2.814 -3.032 1.00 0.00 H new ATOM 1806 N VAL A 114 -14.600 4.938 -2.377 1.00 0.00 N ATOM 1807 CA VAL A 114 -16.039 5.175 -2.357 1.00 0.00 C ATOM 1808 C VAL A 114 -16.501 5.860 -3.638 1.00 0.00 C ATOM 1809 O VAL A 114 -15.814 6.730 -4.170 1.00 0.00 O ATOM 1810 CB VAL A 114 -16.449 6.039 -1.150 1.00 0.00 C ATOM 1811 CG1 VAL A 114 -16.085 5.343 0.153 1.00 0.00 C ATOM 1812 CG2 VAL A 114 -15.796 7.411 -1.231 1.00 0.00 C ATOM 0 H VAL A 114 -14.041 5.756 -2.620 1.00 0.00 H new ATOM 0 HA VAL A 114 -16.519 4.200 -2.276 1.00 0.00 H new ATOM 0 HB VAL A 114 -17.530 6.174 -1.172 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -16.382 5.968 0.995 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -16.603 4.386 0.211 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -15.008 5.176 0.188 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -16.097 8.008 -0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -14.712 7.298 -1.234 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -16.111 7.910 -2.147 1.00 0.00 H new ATOM 1822 N GLU A 115 -17.671 5.460 -4.128 1.00 0.00 N ATOM 1823 CA GLU A 115 -18.225 6.035 -5.347 1.00 0.00 C ATOM 1824 C GLU A 115 -18.389 7.546 -5.210 1.00 0.00 C ATOM 1825 O GLU A 115 -18.658 8.057 -4.123 1.00 0.00 O ATOM 1826 CB GLU A 115 -19.574 5.392 -5.674 1.00 0.00 C ATOM 1827 CG GLU A 115 -19.465 3.947 -6.129 1.00 0.00 C ATOM 1828 CD GLU A 115 -19.088 3.823 -7.593 1.00 0.00 C ATOM 1829 OE1 GLU A 115 -19.984 3.971 -8.450 1.00 0.00 O ATOM 1830 OE2 GLU A 115 -17.898 3.578 -7.881 1.00 0.00 O ATOM 0 H GLU A 115 -18.253 4.740 -3.699 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.529 5.835 -6.161 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -20.213 5.439 -4.792 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -20.065 5.974 -6.454 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -18.720 3.434 -5.521 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -20.417 3.444 -5.959 1.00 0.00 H new ATOM 1837 N LYS A 116 -18.223 8.256 -6.321 1.00 0.00 N ATOM 1838 CA LYS A 116 -18.353 9.709 -6.328 1.00 0.00 C ATOM 1839 C LYS A 116 -19.723 10.130 -6.850 1.00 0.00 C ATOM 1840 O LYS A 116 -20.458 9.321 -7.416 1.00 0.00 O ATOM 1841 CB LYS A 116 -17.253 10.336 -7.186 1.00 0.00 C ATOM 1842 CG LYS A 116 -17.380 10.017 -8.666 1.00 0.00 C ATOM 1843 CD LYS A 116 -18.362 10.948 -9.355 1.00 0.00 C ATOM 1844 CE LYS A 116 -18.023 11.126 -10.827 1.00 0.00 C ATOM 1845 NZ LYS A 116 -16.978 12.167 -11.034 1.00 0.00 N ATOM 0 H LYS A 116 -17.998 7.849 -7.229 1.00 0.00 H new ATOM 0 HA LYS A 116 -18.250 10.063 -5.302 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -17.272 11.418 -7.053 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -16.283 9.988 -6.830 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -16.403 10.100 -9.142 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -17.708 8.985 -8.790 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -19.372 10.549 -9.259 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -18.354 11.919 -8.859 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -17.677 10.177 -11.237 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -18.923 11.401 -11.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -16.775 12.258 -12.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -17.318 13.078 -10.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -16.110 11.892 -10.531 1.00 0.00 H new ATOM 1859 N ALA A 117 -20.059 11.402 -6.659 1.00 0.00 N ATOM 1860 CA ALA A 117 -21.338 11.931 -7.114 1.00 0.00 C ATOM 1861 C ALA A 117 -21.156 13.257 -7.844 1.00 0.00 C ATOM 1862 O ALA A 117 -20.422 14.132 -7.386 1.00 0.00 O ATOM 1863 CB ALA A 117 -22.289 12.100 -5.938 1.00 0.00 C ATOM 0 H ALA A 117 -19.462 12.085 -6.192 1.00 0.00 H new ATOM 0 HA ALA A 117 -21.769 11.216 -7.815 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -23.240 12.496 -6.293 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -22.454 11.134 -5.461 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -21.855 12.792 -5.216 1.00 0.00 H new ATOM 1869 N GLY A 118 -21.828 13.399 -8.982 1.00 0.00 N ATOM 1870 CA GLY A 118 -21.725 14.622 -9.757 1.00 0.00 C ATOM 1871 C GLY A 118 -22.858 15.588 -9.469 1.00 0.00 C ATOM 1872 O GLY A 118 -23.582 15.430 -8.486 1.00 0.00 O ATOM 0 H GLY A 118 -22.442 12.689 -9.381 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -20.774 15.107 -9.539 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -21.722 14.376 -10.819 1.00 0.00 H new TER 1876 GLY A 118