USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 738 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -172:sc= -0.546 (180deg=-0.715) USER MOD Single : A 3 THR OG1 : rot -75:sc= 1.1 USER MOD Single : A 6 ASN : amide:sc= -6.27! C(o=-6.3!,f=-9.7!) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.494 USER MOD Single : A 29 GLN : amide:sc= -0.381 K(o=-0.38,f=-1) USER MOD Single : A 35 HIS : no HD1:sc= -0.915 X(o=-0.92,f=-0.58) USER MOD Single : A 36 GLN : amide:sc= -0.304 X(o=-0.3,f=-0.12) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.491 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0.0314 X(o=0.031,f=-0.075) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 164:sc= 0.0981 USER MOD Single : A 68 MET CE :methyl -151:sc= -0.474 (180deg=-1.57) USER MOD Single : A 71 THR OG1 : rot -150:sc= -2.23 USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.675 -12.699 -7.885 1.00 0.00 N ATOM 2 CA MET A 1 -21.366 -11.514 -8.467 1.00 0.00 C ATOM 3 C MET A 1 -21.725 -11.804 -9.920 1.00 0.00 C ATOM 4 O MET A 1 -22.273 -10.949 -10.615 1.00 0.00 O ATOM 5 CB MET A 1 -20.440 -10.300 -8.389 1.00 0.00 C ATOM 6 CG MET A 1 -19.942 -10.132 -6.952 1.00 0.00 C ATOM 7 SD MET A 1 -19.136 -8.520 -6.775 1.00 0.00 S ATOM 8 CE MET A 1 -18.814 -8.592 -4.991 1.00 0.00 C ATOM 0 H1 MET A 1 -20.550 -12.560 -6.862 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.248 -13.551 -8.051 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.745 -12.814 -8.335 1.00 0.00 H new ATOM 0 HA MET A 1 -22.278 -11.305 -7.908 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.595 -10.429 -9.066 1.00 0.00 H new ATOM 0 HB3 MET A 1 -20.970 -9.403 -8.709 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.776 -10.211 -6.255 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.242 -10.930 -6.703 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.313 -7.677 -4.674 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.758 -8.694 -4.455 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.177 -9.449 -4.770 1.00 0.00 H new ATOM 18 N VAL A 2 -21.408 -13.015 -10.369 1.00 0.00 N ATOM 19 CA VAL A 2 -21.700 -13.418 -11.742 1.00 0.00 C ATOM 20 C VAL A 2 -20.942 -12.537 -12.731 1.00 0.00 C ATOM 21 O VAL A 2 -21.025 -12.732 -13.943 1.00 0.00 O ATOM 22 CB VAL A 2 -23.208 -13.320 -12.007 1.00 0.00 C ATOM 23 CG1 VAL A 2 -23.575 -14.082 -13.286 1.00 0.00 C ATOM 24 CG2 VAL A 2 -23.969 -13.927 -10.825 1.00 0.00 C ATOM 0 H VAL A 2 -20.951 -13.732 -9.805 1.00 0.00 H new ATOM 0 HA VAL A 2 -21.378 -14.451 -11.876 1.00 0.00 H new ATOM 0 HB VAL A 2 -23.478 -12.271 -12.128 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -24.648 -14.004 -13.461 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -23.037 -13.654 -14.132 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -23.301 -15.131 -13.176 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -25.041 -13.859 -11.009 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -23.686 -14.973 -10.709 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -23.722 -13.381 -9.914 1.00 0.00 H new ATOM 34 N THR A 3 -20.201 -11.564 -12.208 1.00 0.00 N ATOM 35 CA THR A 3 -19.438 -10.663 -13.061 1.00 0.00 C ATOM 36 C THR A 3 -18.598 -9.700 -12.226 1.00 0.00 C ATOM 37 O THR A 3 -18.807 -8.487 -12.267 1.00 0.00 O ATOM 38 CB THR A 3 -20.389 -9.864 -13.954 1.00 0.00 C ATOM 39 OG1 THR A 3 -19.718 -8.712 -14.445 1.00 0.00 O ATOM 40 CG2 THR A 3 -21.614 -9.437 -13.144 1.00 0.00 C ATOM 0 H THR A 3 -20.114 -11.382 -11.208 1.00 0.00 H new ATOM 0 HA THR A 3 -18.769 -11.264 -13.678 1.00 0.00 H new ATOM 0 HB THR A 3 -20.709 -10.484 -14.792 1.00 0.00 H new ATOM 0 HG1 THR A 3 -19.651 -8.044 -13.731 1.00 0.00 H new ATOM 0 HG21 THR A 3 -22.291 -8.868 -13.781 1.00 0.00 H new ATOM 0 HG22 THR A 3 -22.128 -10.322 -12.768 1.00 0.00 H new ATOM 0 HG23 THR A 3 -21.298 -8.817 -12.305 1.00 0.00 H new ATOM 48 N PRO A 4 -17.658 -10.211 -11.477 1.00 0.00 N ATOM 49 CA PRO A 4 -16.768 -9.372 -10.624 1.00 0.00 C ATOM 50 C PRO A 4 -15.711 -8.645 -11.455 1.00 0.00 C ATOM 51 O PRO A 4 -15.454 -7.458 -11.256 1.00 0.00 O ATOM 52 CB PRO A 4 -16.132 -10.389 -9.669 1.00 0.00 C ATOM 53 CG PRO A 4 -16.110 -11.674 -10.438 1.00 0.00 C ATOM 54 CD PRO A 4 -17.336 -11.646 -11.360 1.00 0.00 C ATOM 0 HA PRO A 4 -17.306 -8.580 -10.104 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -15.126 -10.084 -9.379 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -16.712 -10.487 -8.752 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -15.191 -11.765 -11.016 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -16.149 -12.530 -9.765 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -17.115 -12.087 -12.332 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -18.168 -12.209 -10.936 1.00 0.00 H new ATOM 62 N VAL A 5 -15.106 -9.370 -12.391 1.00 0.00 N ATOM 63 CA VAL A 5 -14.083 -8.794 -13.254 1.00 0.00 C ATOM 64 C VAL A 5 -12.925 -8.243 -12.428 1.00 0.00 C ATOM 65 O VAL A 5 -13.090 -7.291 -11.664 1.00 0.00 O ATOM 66 CB VAL A 5 -14.688 -7.677 -14.106 1.00 0.00 C ATOM 67 CG1 VAL A 5 -13.739 -7.338 -15.257 1.00 0.00 C ATOM 68 CG2 VAL A 5 -16.032 -8.141 -14.674 1.00 0.00 C ATOM 0 H VAL A 5 -15.306 -10.354 -12.570 1.00 0.00 H new ATOM 0 HA VAL A 5 -13.701 -9.580 -13.905 1.00 0.00 H new ATOM 0 HB VAL A 5 -14.839 -6.792 -13.488 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -14.172 -6.542 -15.863 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -12.782 -7.008 -14.854 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -13.586 -8.223 -15.875 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -16.464 -7.346 -15.281 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -15.880 -9.027 -15.291 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -16.710 -8.381 -13.855 1.00 0.00 H new ATOM 78 N ASN A 6 -11.751 -8.847 -12.591 1.00 0.00 N ATOM 79 CA ASN A 6 -10.561 -8.416 -11.862 1.00 0.00 C ATOM 80 C ASN A 6 -10.895 -8.074 -10.412 1.00 0.00 C ATOM 81 O ASN A 6 -11.876 -8.569 -9.857 1.00 0.00 O ATOM 82 CB ASN A 6 -9.943 -7.193 -12.545 1.00 0.00 C ATOM 83 CG ASN A 6 -10.856 -5.982 -12.380 1.00 0.00 C ATOM 84 OD1 ASN A 6 -11.785 -5.792 -13.165 1.00 0.00 O ATOM 85 ND2 ASN A 6 -10.646 -5.145 -11.400 1.00 0.00 N ATOM 0 H ASN A 6 -11.598 -9.635 -13.220 1.00 0.00 H new ATOM 0 HA ASN A 6 -9.848 -9.240 -11.867 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -8.965 -6.982 -12.114 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -9.787 -7.399 -13.604 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -11.252 -4.333 -11.284 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -9.876 -5.303 -10.750 1.00 0.00 H new ATOM 92 N MET A 7 -10.069 -7.220 -9.814 1.00 0.00 N ATOM 93 CA MET A 7 -10.268 -6.801 -8.430 1.00 0.00 C ATOM 94 C MET A 7 -9.908 -7.931 -7.466 1.00 0.00 C ATOM 95 O MET A 7 -10.476 -8.037 -6.380 1.00 0.00 O ATOM 96 CB MET A 7 -11.728 -6.367 -8.212 1.00 0.00 C ATOM 97 CG MET A 7 -11.818 -5.395 -7.029 1.00 0.00 C ATOM 98 SD MET A 7 -11.331 -3.738 -7.572 1.00 0.00 S ATOM 99 CE MET A 7 -11.555 -2.903 -5.982 1.00 0.00 C ATOM 0 H MET A 7 -9.255 -6.804 -10.267 1.00 0.00 H new ATOM 0 HA MET A 7 -9.612 -5.954 -8.230 1.00 0.00 H new ATOM 0 HB2 MET A 7 -12.113 -5.891 -9.114 1.00 0.00 H new ATOM 0 HB3 MET A 7 -12.351 -7.241 -8.023 1.00 0.00 H new ATOM 0 HG2 MET A 7 -12.835 -5.377 -6.636 1.00 0.00 H new ATOM 0 HG3 MET A 7 -11.169 -5.729 -6.219 1.00 0.00 H new ATOM 0 HE1 MET A 7 -11.305 -1.847 -6.087 1.00 0.00 H new ATOM 0 HE2 MET A 7 -12.593 -3.000 -5.663 1.00 0.00 H new ATOM 0 HE3 MET A 7 -10.902 -3.358 -5.237 1.00 0.00 H new ATOM 109 N SER A 8 -8.956 -8.769 -7.870 1.00 0.00 N ATOM 110 CA SER A 8 -8.527 -9.882 -7.031 1.00 0.00 C ATOM 111 C SER A 8 -7.951 -9.364 -5.716 1.00 0.00 C ATOM 112 O SER A 8 -7.141 -8.436 -5.707 1.00 0.00 O ATOM 113 CB SER A 8 -7.470 -10.710 -7.762 1.00 0.00 C ATOM 114 OG SER A 8 -7.337 -11.972 -7.123 1.00 0.00 O ATOM 0 H SER A 8 -8.472 -8.699 -8.765 1.00 0.00 H new ATOM 0 HA SER A 8 -9.393 -10.509 -6.817 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.756 -10.846 -8.805 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.515 -10.185 -7.759 1.00 0.00 H new ATOM 0 HG SER A 8 -6.661 -12.506 -7.591 1.00 0.00 H new ATOM 120 N ARG A 9 -8.372 -9.963 -4.607 1.00 0.00 N ATOM 121 CA ARG A 9 -7.890 -9.549 -3.301 1.00 0.00 C ATOM 122 C ARG A 9 -6.368 -9.453 -3.309 1.00 0.00 C ATOM 123 O ARG A 9 -5.807 -8.410 -2.997 1.00 0.00 O ATOM 124 CB ARG A 9 -8.368 -10.543 -2.218 1.00 0.00 C ATOM 125 CG ARG A 9 -8.519 -11.946 -2.813 1.00 0.00 C ATOM 126 CD ARG A 9 -8.772 -12.954 -1.683 1.00 0.00 C ATOM 127 NE ARG A 9 -9.539 -12.328 -0.610 1.00 0.00 N ATOM 128 CZ ARG A 9 -10.848 -12.125 -0.727 1.00 0.00 C ATOM 129 NH1 ARG A 9 -11.474 -12.498 -1.810 1.00 0.00 N ATOM 130 NH2 ARG A 9 -11.507 -11.553 0.243 1.00 0.00 N ATOM 0 H ARG A 9 -9.042 -10.732 -4.589 1.00 0.00 H new ATOM 0 HA ARG A 9 -8.296 -8.564 -3.069 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.654 -10.565 -1.394 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -9.321 -10.211 -1.805 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -9.345 -11.965 -3.524 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.619 -12.218 -3.364 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -9.313 -13.817 -2.071 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.822 -13.321 -1.294 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.062 -12.041 0.245 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.959 -12.946 -2.568 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.478 -12.342 -1.898 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.018 -11.262 1.090 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.511 -11.397 0.155 1.00 0.00 H new ATOM 144 N GLU A 10 -5.711 -10.548 -3.662 1.00 0.00 N ATOM 145 CA GLU A 10 -4.254 -10.586 -3.694 1.00 0.00 C ATOM 146 C GLU A 10 -3.658 -9.333 -4.336 1.00 0.00 C ATOM 147 O GLU A 10 -2.564 -8.905 -3.977 1.00 0.00 O ATOM 148 CB GLU A 10 -3.790 -11.823 -4.461 1.00 0.00 C ATOM 149 CG GLU A 10 -4.078 -11.648 -5.956 1.00 0.00 C ATOM 150 CD GLU A 10 -3.921 -12.983 -6.677 1.00 0.00 C ATOM 151 OE1 GLU A 10 -3.763 -13.985 -5.999 1.00 0.00 O ATOM 152 OE2 GLU A 10 -3.959 -12.983 -7.897 1.00 0.00 O ATOM 0 H GLU A 10 -6.162 -11.422 -3.930 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.904 -10.627 -2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.723 -11.980 -4.303 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.302 -12.708 -4.084 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.089 -11.265 -6.098 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.396 -10.912 -6.383 1.00 0.00 H new ATOM 159 N THR A 11 -4.373 -8.751 -5.287 1.00 0.00 N ATOM 160 CA THR A 11 -3.882 -7.552 -5.962 1.00 0.00 C ATOM 161 C THR A 11 -4.055 -6.346 -5.057 1.00 0.00 C ATOM 162 O THR A 11 -3.373 -5.334 -5.199 1.00 0.00 O ATOM 163 CB THR A 11 -4.658 -7.329 -7.262 1.00 0.00 C ATOM 164 OG1 THR A 11 -4.557 -8.488 -8.079 1.00 0.00 O ATOM 165 CG2 THR A 11 -4.078 -6.124 -8.008 1.00 0.00 C ATOM 0 H THR A 11 -5.283 -9.081 -5.608 1.00 0.00 H new ATOM 0 HA THR A 11 -2.825 -7.684 -6.193 1.00 0.00 H new ATOM 0 HB THR A 11 -5.706 -7.138 -7.029 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.055 -8.346 -8.911 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.632 -5.968 -8.933 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.159 -5.235 -7.382 1.00 0.00 H new ATOM 0 HG23 THR A 11 -3.029 -6.310 -8.240 1.00 0.00 H new ATOM 173 N ALA A 12 -4.992 -6.475 -4.136 1.00 0.00 N ATOM 174 CA ALA A 12 -5.306 -5.416 -3.189 1.00 0.00 C ATOM 175 C ALA A 12 -4.398 -5.464 -1.954 1.00 0.00 C ATOM 176 O ALA A 12 -3.506 -4.632 -1.795 1.00 0.00 O ATOM 177 CB ALA A 12 -6.767 -5.557 -2.767 1.00 0.00 C ATOM 0 H ALA A 12 -5.558 -7.316 -4.022 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.138 -4.455 -3.675 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.018 -4.770 -2.056 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -7.409 -5.473 -3.644 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.918 -6.530 -2.299 1.00 0.00 H new ATOM 183 N LEU A 13 -4.656 -6.429 -1.077 1.00 0.00 N ATOM 184 CA LEU A 13 -3.888 -6.578 0.165 1.00 0.00 C ATOM 185 C LEU A 13 -2.384 -6.383 -0.072 1.00 0.00 C ATOM 186 O LEU A 13 -1.657 -5.989 0.838 1.00 0.00 O ATOM 187 CB LEU A 13 -4.151 -7.967 0.822 1.00 0.00 C ATOM 188 CG LEU A 13 -5.062 -8.814 -0.073 1.00 0.00 C ATOM 189 CD1 LEU A 13 -5.037 -10.267 0.404 1.00 0.00 C ATOM 190 CD2 LEU A 13 -6.508 -8.262 -0.028 1.00 0.00 C ATOM 0 H LEU A 13 -5.392 -7.124 -1.200 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.227 -5.798 0.847 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.206 -8.485 0.985 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.613 -7.833 1.800 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.703 -8.769 -1.101 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.685 -10.870 -0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.018 -10.650 0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.390 -10.318 1.434 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.149 -8.869 -0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.879 -8.296 0.996 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.515 -7.231 -0.382 1.00 0.00 H new ATOM 202 N ARG A 14 -1.919 -6.682 -1.281 1.00 0.00 N ATOM 203 CA ARG A 14 -0.495 -6.555 -1.591 1.00 0.00 C ATOM 204 C ARG A 14 -0.077 -5.092 -1.770 1.00 0.00 C ATOM 205 O ARG A 14 1.006 -4.698 -1.339 1.00 0.00 O ATOM 206 CB ARG A 14 -0.164 -7.345 -2.867 1.00 0.00 C ATOM 207 CG ARG A 14 -0.087 -8.845 -2.550 1.00 0.00 C ATOM 208 CD ARG A 14 0.356 -9.619 -3.797 1.00 0.00 C ATOM 209 NE ARG A 14 -0.326 -9.122 -4.988 1.00 0.00 N ATOM 210 CZ ARG A 14 -0.404 -9.858 -6.092 1.00 0.00 C ATOM 211 NH1 ARG A 14 0.150 -11.040 -6.129 1.00 0.00 N ATOM 212 NH2 ARG A 14 -1.030 -9.399 -7.141 1.00 0.00 N ATOM 0 H ARG A 14 -2.497 -7.010 -2.055 1.00 0.00 H new ATOM 0 HA ARG A 14 0.062 -6.962 -0.747 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.926 -7.164 -3.625 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.785 -7.003 -3.281 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.616 -9.018 -1.735 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.059 -9.205 -2.214 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.434 -9.525 -3.925 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.142 -10.680 -3.667 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.750 -8.194 -4.973 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.642 -11.398 -5.311 1.00 0.00 H new ATOM 0 HH12 ARG A 14 0.090 -11.605 -6.976 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.460 -8.474 -7.114 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.089 -9.965 -7.988 1.00 0.00 H new ATOM 226 N ILE A 15 -0.921 -4.294 -2.419 1.00 0.00 N ATOM 227 CA ILE A 15 -0.591 -2.892 -2.650 1.00 0.00 C ATOM 228 C ILE A 15 -0.468 -2.125 -1.339 1.00 0.00 C ATOM 229 O ILE A 15 0.036 -1.002 -1.315 1.00 0.00 O ATOM 230 CB ILE A 15 -1.663 -2.248 -3.528 1.00 0.00 C ATOM 231 CG1 ILE A 15 -1.677 -2.940 -4.901 1.00 0.00 C ATOM 232 CG2 ILE A 15 -1.357 -0.757 -3.706 1.00 0.00 C ATOM 233 CD1 ILE A 15 -3.030 -2.719 -5.577 1.00 0.00 C ATOM 0 H ILE A 15 -1.825 -4.589 -2.789 1.00 0.00 H new ATOM 0 HA ILE A 15 0.374 -2.851 -3.156 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.638 -2.359 -3.053 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.878 -2.543 -5.527 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.489 -4.007 -4.783 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.123 -0.301 -4.333 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.347 -0.269 -2.732 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.383 -0.640 -4.181 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.035 -3.211 -6.550 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.821 -3.137 -4.954 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.200 -1.651 -5.710 1.00 0.00 H new ATOM 245 N ALA A 16 -0.926 -2.732 -0.248 1.00 0.00 N ATOM 246 CA ALA A 16 -0.857 -2.090 1.059 1.00 0.00 C ATOM 247 C ALA A 16 0.416 -2.483 1.785 1.00 0.00 C ATOM 248 O ALA A 16 0.842 -1.807 2.720 1.00 0.00 O ATOM 249 CB ALA A 16 -2.085 -2.449 1.892 1.00 0.00 C ATOM 0 H ALA A 16 -1.346 -3.661 -0.243 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.842 -1.010 0.912 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.019 -1.962 2.865 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.985 -2.112 1.378 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.129 -3.529 2.029 1.00 0.00 H new ATOM 255 N LEU A 17 1.045 -3.557 1.335 1.00 0.00 N ATOM 256 CA LEU A 17 2.295 -3.988 1.940 1.00 0.00 C ATOM 257 C LEU A 17 3.377 -2.983 1.557 1.00 0.00 C ATOM 258 O LEU A 17 4.304 -2.719 2.322 1.00 0.00 O ATOM 259 CB LEU A 17 2.666 -5.409 1.453 1.00 0.00 C ATOM 260 CG LEU A 17 2.242 -6.482 2.484 1.00 0.00 C ATOM 261 CD1 LEU A 17 3.203 -6.483 3.685 1.00 0.00 C ATOM 262 CD2 LEU A 17 0.800 -6.220 2.968 1.00 0.00 C ATOM 0 H LEU A 17 0.717 -4.139 0.564 1.00 0.00 H new ATOM 0 HA LEU A 17 2.196 -4.029 3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.181 -5.607 0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.741 -5.469 1.283 1.00 0.00 H new ATOM 0 HG LEU A 17 2.282 -7.458 2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.890 -7.243 4.401 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.214 -6.702 3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.186 -5.505 4.165 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.515 -6.983 3.693 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.746 -5.237 3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.119 -6.255 2.118 1.00 0.00 H new ATOM 274 N ALA A 18 3.233 -2.421 0.361 1.00 0.00 N ATOM 275 CA ALA A 18 4.181 -1.436 -0.136 1.00 0.00 C ATOM 276 C ALA A 18 4.316 -0.285 0.855 1.00 0.00 C ATOM 277 O ALA A 18 5.421 0.169 1.143 1.00 0.00 O ATOM 278 CB ALA A 18 3.707 -0.910 -1.494 1.00 0.00 C ATOM 0 H ALA A 18 2.468 -2.632 -0.280 1.00 0.00 H new ATOM 0 HA ALA A 18 5.157 -1.907 -0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.417 -0.172 -1.866 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.639 -1.737 -2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.727 -0.446 -1.383 1.00 0.00 H new ATOM 284 N ALA A 19 3.182 0.183 1.372 1.00 0.00 N ATOM 285 CA ALA A 19 3.195 1.284 2.338 1.00 0.00 C ATOM 286 C ALA A 19 4.338 1.091 3.334 1.00 0.00 C ATOM 287 O ALA A 19 4.990 2.050 3.744 1.00 0.00 O ATOM 288 CB ALA A 19 1.863 1.362 3.085 1.00 0.00 C ATOM 0 H ALA A 19 2.255 -0.175 1.144 1.00 0.00 H new ATOM 0 HA ALA A 19 3.344 2.217 1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 19 1.893 2.186 3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.055 1.528 2.372 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.690 0.427 3.618 1.00 0.00 H new ATOM 294 N ARG A 20 4.581 -0.164 3.698 1.00 0.00 N ATOM 295 CA ARG A 20 5.657 -0.485 4.625 1.00 0.00 C ATOM 296 C ARG A 20 6.995 -0.106 4.003 1.00 0.00 C ATOM 297 O ARG A 20 7.871 0.446 4.668 1.00 0.00 O ATOM 298 CB ARG A 20 5.636 -1.982 4.940 1.00 0.00 C ATOM 299 CG ARG A 20 6.506 -2.265 6.166 1.00 0.00 C ATOM 300 CD ARG A 20 6.429 -3.755 6.509 1.00 0.00 C ATOM 301 NE ARG A 20 5.139 -4.069 7.114 1.00 0.00 N ATOM 302 CZ ARG A 20 4.889 -3.785 8.389 1.00 0.00 C ATOM 303 NH1 ARG A 20 5.800 -3.205 9.120 1.00 0.00 N ATOM 304 NH2 ARG A 20 3.729 -4.084 8.908 1.00 0.00 N ATOM 0 H ARG A 20 4.050 -0.970 3.367 1.00 0.00 H new ATOM 0 HA ARG A 20 5.519 0.076 5.549 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.613 -2.310 5.125 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.002 -2.548 4.084 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.539 -1.979 5.967 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.167 -1.667 7.012 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.570 -4.351 5.607 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.234 -4.019 7.195 1.00 0.00 H new ATOM 0 HE ARG A 20 4.416 -4.514 6.549 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.705 -2.969 8.714 1.00 0.00 H new ATOM 0 HH12 ARG A 20 5.607 -2.988 10.098 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.015 -4.535 8.336 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.536 -3.867 9.886 1.00 0.00 H new ATOM 318 N ALA A 21 7.136 -0.403 2.715 1.00 0.00 N ATOM 319 CA ALA A 21 8.357 -0.090 1.983 1.00 0.00 C ATOM 320 C ALA A 21 8.636 1.398 2.026 1.00 0.00 C ATOM 321 O ALA A 21 9.681 1.854 1.568 1.00 0.00 O ATOM 322 CB ALA A 21 8.198 -0.499 0.520 1.00 0.00 C ATOM 0 H ALA A 21 6.417 -0.862 2.156 1.00 0.00 H new ATOM 0 HA ALA A 21 9.180 -0.633 2.447 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.112 -0.264 -0.025 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.005 -1.570 0.461 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.363 0.045 0.079 1.00 0.00 H new ATOM 328 N LEU A 22 7.689 2.157 2.566 1.00 0.00 N ATOM 329 CA LEU A 22 7.820 3.607 2.650 1.00 0.00 C ATOM 330 C LEU A 22 7.792 4.046 4.122 1.00 0.00 C ATOM 331 O LEU A 22 6.765 3.889 4.783 1.00 0.00 O ATOM 332 CB LEU A 22 6.644 4.266 1.914 1.00 0.00 C ATOM 333 CG LEU A 22 6.327 3.532 0.594 1.00 0.00 C ATOM 334 CD1 LEU A 22 5.019 4.084 0.012 1.00 0.00 C ATOM 335 CD2 LEU A 22 7.476 3.729 -0.415 1.00 0.00 C ATOM 0 H LEU A 22 6.819 1.791 2.953 1.00 0.00 H new ATOM 0 HA LEU A 22 8.763 3.909 2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.763 4.262 2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 22 6.882 5.309 1.705 1.00 0.00 H new ATOM 0 HG LEU A 22 6.218 2.466 0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.790 3.569 -0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.208 3.924 0.723 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.128 5.151 -0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.240 3.206 -1.342 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.602 4.792 -0.620 1.00 0.00 H new ATOM 0 HD23 LEU A 22 8.400 3.328 0.003 1.00 0.00 H new ATOM 347 N PRO A 23 8.865 4.580 4.664 1.00 0.00 N ATOM 348 CA PRO A 23 8.887 5.016 6.088 1.00 0.00 C ATOM 349 C PRO A 23 8.210 6.373 6.290 1.00 0.00 C ATOM 350 O PRO A 23 8.871 7.364 6.602 1.00 0.00 O ATOM 351 CB PRO A 23 10.382 5.078 6.414 1.00 0.00 C ATOM 352 CG PRO A 23 11.040 5.433 5.116 1.00 0.00 C ATOM 353 CD PRO A 23 10.165 4.831 4.004 1.00 0.00 C ATOM 0 HA PRO A 23 8.334 4.339 6.739 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.590 5.825 7.180 1.00 0.00 H new ATOM 0 HB3 PRO A 23 10.744 4.123 6.793 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.120 6.514 5.004 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.053 5.033 5.072 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.060 5.518 3.164 1.00 0.00 H new ATOM 0 HD3 PRO A 23 10.597 3.911 3.611 1.00 0.00 H new ATOM 361 N GLY A 24 6.886 6.409 6.120 1.00 0.00 N ATOM 362 CA GLY A 24 6.131 7.650 6.299 1.00 0.00 C ATOM 363 C GLY A 24 4.893 7.695 5.405 1.00 0.00 C ATOM 364 O GLY A 24 3.794 8.000 5.869 1.00 0.00 O ATOM 0 H GLY A 24 6.320 5.601 5.861 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.830 7.745 7.342 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.773 8.502 6.074 1.00 0.00 H new ATOM 368 N THR A 25 5.079 7.409 4.122 1.00 0.00 N ATOM 369 CA THR A 25 3.968 7.441 3.173 1.00 0.00 C ATOM 370 C THR A 25 2.949 6.345 3.465 1.00 0.00 C ATOM 371 O THR A 25 3.308 5.187 3.680 1.00 0.00 O ATOM 372 CB THR A 25 4.492 7.261 1.751 1.00 0.00 C ATOM 373 OG1 THR A 25 5.595 8.132 1.537 1.00 0.00 O ATOM 374 CG2 THR A 25 3.381 7.581 0.752 1.00 0.00 C ATOM 0 H THR A 25 5.979 7.154 3.715 1.00 0.00 H new ATOM 0 HA THR A 25 3.477 8.409 3.275 1.00 0.00 H new ATOM 0 HB THR A 25 4.815 6.229 1.611 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.932 8.015 0.624 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.756 7.452 -0.263 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.539 6.908 0.916 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.054 8.612 0.890 1.00 0.00 H new ATOM 382 N THR A 26 1.672 6.721 3.457 1.00 0.00 N ATOM 383 CA THR A 26 0.596 5.784 3.706 1.00 0.00 C ATOM 384 C THR A 26 0.229 5.051 2.413 1.00 0.00 C ATOM 385 O THR A 26 0.738 5.374 1.339 1.00 0.00 O ATOM 386 CB THR A 26 -0.614 6.566 4.249 1.00 0.00 C ATOM 387 OG1 THR A 26 -0.157 7.780 4.828 1.00 0.00 O ATOM 388 CG2 THR A 26 -1.335 5.749 5.314 1.00 0.00 C ATOM 0 H THR A 26 1.363 7.677 3.279 1.00 0.00 H new ATOM 0 HA THR A 26 0.908 5.039 4.438 1.00 0.00 H new ATOM 0 HB THR A 26 -1.303 6.772 3.430 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.922 8.285 5.175 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.188 6.313 5.690 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.683 4.811 4.880 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.650 5.537 6.135 1.00 0.00 H new ATOM 396 N VAL A 27 -0.646 4.060 2.529 1.00 0.00 N ATOM 397 CA VAL A 27 -1.066 3.281 1.368 1.00 0.00 C ATOM 398 C VAL A 27 -1.800 4.153 0.360 1.00 0.00 C ATOM 399 O VAL A 27 -1.356 4.325 -0.776 1.00 0.00 O ATOM 400 CB VAL A 27 -2.000 2.141 1.791 1.00 0.00 C ATOM 401 CG1 VAL A 27 -2.256 1.226 0.590 1.00 0.00 C ATOM 402 CG2 VAL A 27 -1.380 1.321 2.933 1.00 0.00 C ATOM 0 H VAL A 27 -1.077 3.777 3.409 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.165 2.874 0.910 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.938 2.571 2.143 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.920 0.414 0.886 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.720 1.800 -0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.310 0.812 0.240 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.061 0.518 3.216 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.433 0.894 2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.205 1.968 3.792 1.00 0.00 H new ATOM 412 N GLY A 28 -2.940 4.684 0.779 1.00 0.00 N ATOM 413 CA GLY A 28 -3.751 5.517 -0.093 1.00 0.00 C ATOM 414 C GLY A 28 -3.110 6.878 -0.343 1.00 0.00 C ATOM 415 O GLY A 28 -3.762 7.778 -0.872 1.00 0.00 O ATOM 0 H GLY A 28 -3.322 4.552 1.715 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.901 5.007 -1.045 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.736 5.657 0.353 1.00 0.00 H new ATOM 419 N GLN A 29 -1.839 7.040 0.034 1.00 0.00 N ATOM 420 CA GLN A 29 -1.156 8.320 -0.173 1.00 0.00 C ATOM 421 C GLN A 29 -0.277 8.264 -1.417 1.00 0.00 C ATOM 422 O GLN A 29 0.015 9.295 -2.024 1.00 0.00 O ATOM 423 CB GLN A 29 -0.300 8.662 1.059 1.00 0.00 C ATOM 424 CG GLN A 29 -1.184 9.272 2.152 1.00 0.00 C ATOM 425 CD GLN A 29 -1.561 10.703 1.778 1.00 0.00 C ATOM 426 OE1 GLN A 29 -2.559 10.924 1.092 1.00 0.00 O ATOM 427 NE2 GLN A 29 -0.817 11.693 2.189 1.00 0.00 N ATOM 0 H GLN A 29 -1.271 6.317 0.476 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.908 9.096 -0.315 1.00 0.00 H new ATOM 0 HB2 GLN A 29 0.190 7.763 1.434 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.488 9.363 0.783 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.084 8.671 2.281 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.656 9.263 3.106 1.00 0.00 H new ATOM 0 HE21 GLN A 29 0.010 11.508 2.757 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -1.062 12.652 1.942 1.00 0.00 H new ATOM 436 N LEU A 30 0.150 7.061 -1.794 1.00 0.00 N ATOM 437 CA LEU A 30 1.007 6.903 -2.968 1.00 0.00 C ATOM 438 C LEU A 30 0.173 6.808 -4.243 1.00 0.00 C ATOM 439 O LEU A 30 0.680 7.037 -5.341 1.00 0.00 O ATOM 440 CB LEU A 30 1.880 5.649 -2.799 1.00 0.00 C ATOM 441 CG LEU A 30 2.688 5.357 -4.094 1.00 0.00 C ATOM 442 CD1 LEU A 30 4.092 4.848 -3.732 1.00 0.00 C ATOM 443 CD2 LEU A 30 1.970 4.289 -4.945 1.00 0.00 C ATOM 0 H LEU A 30 -0.079 6.192 -1.312 1.00 0.00 H new ATOM 0 HA LEU A 30 1.649 7.779 -3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.564 5.788 -1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.250 4.793 -2.557 1.00 0.00 H new ATOM 0 HG LEU A 30 2.767 6.281 -4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.652 4.646 -4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.614 5.605 -3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.007 3.932 -3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.548 4.095 -5.849 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.876 3.368 -4.370 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.978 4.648 -5.219 1.00 0.00 H new ATOM 455 N LEU A 31 -1.109 6.473 -4.100 1.00 0.00 N ATOM 456 CA LEU A 31 -2.000 6.356 -5.257 1.00 0.00 C ATOM 457 C LEU A 31 -2.741 7.676 -5.482 1.00 0.00 C ATOM 458 O LEU A 31 -2.853 8.156 -6.610 1.00 0.00 O ATOM 459 CB LEU A 31 -3.008 5.213 -5.016 1.00 0.00 C ATOM 460 CG LEU A 31 -3.410 4.540 -6.344 1.00 0.00 C ATOM 461 CD1 LEU A 31 -3.912 5.602 -7.332 1.00 0.00 C ATOM 462 CD2 LEU A 31 -2.210 3.777 -6.954 1.00 0.00 C ATOM 0 H LEU A 31 -1.553 6.279 -3.202 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.411 6.132 -6.146 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.570 4.472 -4.347 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.896 5.605 -4.520 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.208 3.825 -6.145 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.195 5.122 -8.269 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.778 6.112 -6.909 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.120 6.327 -7.520 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.514 3.309 -7.890 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.394 4.474 -7.145 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.875 3.009 -6.257 1.00 0.00 H new ATOM 474 N GLU A 32 -3.247 8.254 -4.396 1.00 0.00 N ATOM 475 CA GLU A 32 -3.979 9.514 -4.478 1.00 0.00 C ATOM 476 C GLU A 32 -3.128 10.598 -5.135 1.00 0.00 C ATOM 477 O GLU A 32 -3.603 11.708 -5.369 1.00 0.00 O ATOM 478 CB GLU A 32 -4.400 9.970 -3.076 1.00 0.00 C ATOM 479 CG GLU A 32 -5.595 9.139 -2.601 1.00 0.00 C ATOM 480 CD GLU A 32 -5.835 9.372 -1.114 1.00 0.00 C ATOM 481 OE1 GLU A 32 -5.180 10.238 -0.557 1.00 0.00 O ATOM 482 OE2 GLU A 32 -6.670 8.681 -0.553 1.00 0.00 O ATOM 0 H GLU A 32 -3.164 7.872 -3.454 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.867 9.351 -5.089 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -3.568 9.858 -2.381 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.663 11.028 -3.091 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.485 9.410 -3.168 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.409 8.081 -2.786 1.00 0.00 H new ATOM 489 N ILE A 33 -1.874 10.278 -5.425 1.00 0.00 N ATOM 490 CA ILE A 33 -0.982 11.246 -6.052 1.00 0.00 C ATOM 491 C ILE A 33 -1.628 11.837 -7.303 1.00 0.00 C ATOM 492 O ILE A 33 -1.144 12.822 -7.860 1.00 0.00 O ATOM 493 CB ILE A 33 0.341 10.576 -6.428 1.00 0.00 C ATOM 494 CG1 ILE A 33 0.057 9.331 -7.272 1.00 0.00 C ATOM 495 CG2 ILE A 33 1.088 10.169 -5.156 1.00 0.00 C ATOM 496 CD1 ILE A 33 1.377 8.729 -7.759 1.00 0.00 C ATOM 0 H ILE A 33 -1.454 9.367 -5.239 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.791 12.048 -5.339 1.00 0.00 H new ATOM 0 HB ILE A 33 0.953 11.274 -7.000 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.493 8.598 -6.683 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.571 9.592 -8.124 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.030 9.692 -5.424 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.289 11.054 -4.553 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.478 9.471 -4.583 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.173 7.843 -8.360 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.910 9.462 -8.364 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.989 8.452 -6.901 1.00 0.00 H new ATOM 508 N LEU A 34 -2.723 11.222 -7.743 1.00 0.00 N ATOM 509 CA LEU A 34 -3.430 11.686 -8.933 1.00 0.00 C ATOM 510 C LEU A 34 -4.377 12.833 -8.589 1.00 0.00 C ATOM 511 O LEU A 34 -4.756 13.619 -9.456 1.00 0.00 O ATOM 512 CB LEU A 34 -4.233 10.531 -9.540 1.00 0.00 C ATOM 513 CG LEU A 34 -3.321 9.320 -9.779 1.00 0.00 C ATOM 514 CD1 LEU A 34 -4.180 8.101 -10.126 1.00 0.00 C ATOM 515 CD2 LEU A 34 -2.351 9.609 -10.936 1.00 0.00 C ATOM 0 H LEU A 34 -3.138 10.405 -7.296 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.693 12.044 -9.652 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.049 10.255 -8.872 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.684 10.847 -10.481 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.745 9.121 -8.875 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.536 7.239 -10.297 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.860 7.888 -9.301 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.757 8.307 -11.028 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.709 8.743 -11.097 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.918 9.814 -11.844 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.737 10.475 -10.689 1.00 0.00 H new ATOM 527 N HIS A 35 -4.758 12.918 -7.319 1.00 0.00 N ATOM 528 CA HIS A 35 -5.667 13.968 -6.873 1.00 0.00 C ATOM 529 C HIS A 35 -6.975 13.897 -7.650 1.00 0.00 C ATOM 530 O HIS A 35 -7.110 13.110 -8.586 1.00 0.00 O ATOM 531 CB HIS A 35 -5.031 15.344 -7.079 1.00 0.00 C ATOM 532 CG HIS A 35 -3.614 15.326 -6.579 1.00 0.00 C ATOM 533 ND1 HIS A 35 -3.305 15.382 -5.230 1.00 0.00 N ATOM 534 CD2 HIS A 35 -2.410 15.259 -7.237 1.00 0.00 C ATOM 535 CE1 HIS A 35 -1.966 15.349 -5.119 1.00 0.00 C ATOM 536 NE2 HIS A 35 -1.371 15.273 -6.312 1.00 0.00 N ATOM 0 H HIS A 35 -4.454 12.278 -6.585 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.868 13.820 -5.812 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -5.051 15.610 -8.136 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -5.605 16.104 -6.548 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -2.289 15.204 -8.309 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -1.436 15.380 -4.179 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -0.370 15.234 -6.504 1.00 0.00 H new ATOM 545 N GLN A 36 -7.934 14.728 -7.260 1.00 0.00 N ATOM 546 CA GLN A 36 -9.226 14.750 -7.933 1.00 0.00 C ATOM 547 C GLN A 36 -9.903 13.387 -7.823 1.00 0.00 C ATOM 548 O GLN A 36 -9.471 12.418 -8.445 1.00 0.00 O ATOM 549 CB GLN A 36 -9.029 15.118 -9.410 1.00 0.00 C ATOM 550 CG GLN A 36 -10.347 15.627 -10.002 1.00 0.00 C ATOM 551 CD GLN A 36 -10.597 17.065 -9.562 1.00 0.00 C ATOM 552 OE1 GLN A 36 -10.101 18.002 -10.188 1.00 0.00 O ATOM 553 NE2 GLN A 36 -11.338 17.298 -8.513 1.00 0.00 N ATOM 0 H GLN A 36 -7.843 15.389 -6.489 1.00 0.00 H new ATOM 0 HA GLN A 36 -9.863 15.495 -7.456 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.259 15.884 -9.503 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -8.682 14.248 -9.967 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -10.311 15.572 -11.090 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.170 14.991 -9.678 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -11.748 16.521 -7.995 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.507 18.257 -8.211 1.00 0.00 H new ATOM 562 N ARG A 37 -10.965 13.318 -7.028 1.00 0.00 N ATOM 563 CA ARG A 37 -11.688 12.064 -6.849 1.00 0.00 C ATOM 564 C ARG A 37 -12.040 11.453 -8.202 1.00 0.00 C ATOM 565 O ARG A 37 -12.294 12.169 -9.170 1.00 0.00 O ATOM 566 CB ARG A 37 -12.966 12.307 -6.043 1.00 0.00 C ATOM 567 CG ARG A 37 -13.710 13.518 -6.610 1.00 0.00 C ATOM 568 CD ARG A 37 -15.147 13.523 -6.086 1.00 0.00 C ATOM 569 NE ARG A 37 -15.823 12.291 -6.476 1.00 0.00 N ATOM 570 CZ ARG A 37 -17.045 12.004 -6.036 1.00 0.00 C ATOM 571 NH1 ARG A 37 -17.655 12.825 -5.226 1.00 0.00 N ATOM 572 NH2 ARG A 37 -17.631 10.899 -6.410 1.00 0.00 N ATOM 0 H ARG A 37 -11.342 14.107 -6.502 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.047 11.369 -6.306 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.605 11.425 -6.081 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.720 12.477 -4.995 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.203 14.438 -6.321 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -13.709 13.482 -7.699 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -15.147 13.620 -5.000 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -15.685 14.384 -6.483 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.349 11.636 -7.099 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -17.195 13.686 -4.931 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -18.592 12.606 -4.888 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -17.152 10.255 -7.040 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -18.568 10.679 -6.072 1.00 0.00 H new ATOM 586 N ILE A 38 -12.048 10.123 -8.263 1.00 0.00 N ATOM 587 CA ILE A 38 -12.365 9.428 -9.506 1.00 0.00 C ATOM 588 C ILE A 38 -12.466 7.923 -9.273 1.00 0.00 C ATOM 589 O ILE A 38 -13.107 7.208 -10.044 1.00 0.00 O ATOM 590 CB ILE A 38 -11.280 9.711 -10.547 1.00 0.00 C ATOM 591 CG1 ILE A 38 -11.581 8.933 -11.833 1.00 0.00 C ATOM 592 CG2 ILE A 38 -9.922 9.272 -9.997 1.00 0.00 C ATOM 593 CD1 ILE A 38 -10.632 9.395 -12.939 1.00 0.00 C ATOM 0 H ILE A 38 -11.841 9.511 -7.474 1.00 0.00 H new ATOM 0 HA ILE A 38 -13.327 9.791 -9.869 1.00 0.00 H new ATOM 0 HB ILE A 38 -11.261 10.779 -10.766 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -11.463 7.863 -11.660 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -12.616 9.095 -12.135 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.148 9.473 -10.737 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.703 9.825 -9.084 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.946 8.205 -9.778 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -10.844 8.843 -13.855 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -10.773 10.461 -13.117 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -9.602 9.211 -12.635 1.00 0.00 H new ATOM 605 N GLU A 39 -11.823 7.446 -8.213 1.00 0.00 N ATOM 606 CA GLU A 39 -11.839 6.022 -7.898 1.00 0.00 C ATOM 607 C GLU A 39 -11.407 5.209 -9.115 1.00 0.00 C ATOM 608 O GLU A 39 -10.222 5.139 -9.436 1.00 0.00 O ATOM 609 CB GLU A 39 -13.245 5.588 -7.461 1.00 0.00 C ATOM 610 CG GLU A 39 -13.605 6.224 -6.110 1.00 0.00 C ATOM 611 CD GLU A 39 -14.721 5.429 -5.438 1.00 0.00 C ATOM 612 OE1 GLU A 39 -14.540 4.237 -5.250 1.00 0.00 O ATOM 613 OE2 GLU A 39 -15.738 6.023 -5.120 1.00 0.00 O ATOM 0 H GLU A 39 -11.288 8.020 -7.561 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.141 5.842 -7.080 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -13.975 5.883 -8.215 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.289 4.502 -7.382 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.726 6.249 -5.465 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -13.921 7.257 -6.258 1.00 0.00 H new ATOM 620 N GLY A 40 -12.376 4.595 -9.787 1.00 0.00 N ATOM 621 CA GLY A 40 -12.082 3.789 -10.968 1.00 0.00 C ATOM 622 C GLY A 40 -11.492 2.438 -10.573 1.00 0.00 C ATOM 623 O GLY A 40 -11.181 2.205 -9.403 1.00 0.00 O ATOM 0 H GLY A 40 -13.364 4.639 -9.537 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.994 3.637 -11.546 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -11.382 4.322 -11.612 1.00 0.00 H new ATOM 627 N PRO A 41 -11.334 1.553 -11.521 1.00 0.00 N ATOM 628 CA PRO A 41 -10.767 0.192 -11.271 1.00 0.00 C ATOM 629 C PRO A 41 -9.269 0.250 -10.967 1.00 0.00 C ATOM 630 O PRO A 41 -8.693 1.331 -10.842 1.00 0.00 O ATOM 631 CB PRO A 41 -11.051 -0.560 -12.580 1.00 0.00 C ATOM 632 CG PRO A 41 -11.111 0.505 -13.630 1.00 0.00 C ATOM 633 CD PRO A 41 -11.677 1.751 -12.940 1.00 0.00 C ATOM 0 HA PRO A 41 -11.207 -0.294 -10.401 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.267 -1.285 -12.797 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.989 -1.112 -12.523 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.121 0.703 -14.041 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.746 0.198 -14.461 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -11.232 2.664 -13.335 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -12.754 1.833 -13.083 1.00 0.00 H new ATOM 641 N LEU A 42 -8.645 -0.919 -10.850 1.00 0.00 N ATOM 642 CA LEU A 42 -7.216 -0.989 -10.561 1.00 0.00 C ATOM 643 C LEU A 42 -6.653 -2.335 -11.019 1.00 0.00 C ATOM 644 O LEU A 42 -6.792 -3.345 -10.328 1.00 0.00 O ATOM 645 CB LEU A 42 -6.982 -0.794 -9.048 1.00 0.00 C ATOM 646 CG LEU A 42 -5.610 -0.128 -8.793 1.00 0.00 C ATOM 647 CD1 LEU A 42 -5.734 1.396 -8.909 1.00 0.00 C ATOM 648 CD2 LEU A 42 -5.116 -0.478 -7.385 1.00 0.00 C ATOM 0 H LEU A 42 -9.103 -1.825 -10.950 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.700 -0.196 -11.103 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.776 -0.177 -8.628 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.025 -1.758 -8.540 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.902 -0.495 -9.536 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.762 1.855 -8.728 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.078 1.658 -9.910 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.450 1.760 -8.172 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.149 -0.006 -7.211 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.834 -0.118 -6.648 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.014 -1.559 -7.294 1.00 0.00 H new ATOM 660 N THR A 43 -6.025 -2.339 -12.194 1.00 0.00 N ATOM 661 CA THR A 43 -5.446 -3.562 -12.753 1.00 0.00 C ATOM 662 C THR A 43 -3.937 -3.592 -12.547 1.00 0.00 C ATOM 663 O THR A 43 -3.356 -2.664 -11.987 1.00 0.00 O ATOM 664 CB THR A 43 -5.746 -3.639 -14.253 1.00 0.00 C ATOM 665 OG1 THR A 43 -4.841 -2.797 -14.954 1.00 0.00 O ATOM 666 CG2 THR A 43 -7.180 -3.181 -14.518 1.00 0.00 C ATOM 0 H THR A 43 -5.904 -1.511 -12.777 1.00 0.00 H new ATOM 0 HA THR A 43 -5.890 -4.414 -12.238 1.00 0.00 H new ATOM 0 HB THR A 43 -5.631 -4.668 -14.594 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.028 -2.844 -15.915 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.388 -3.238 -15.586 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.874 -3.826 -13.978 1.00 0.00 H new ATOM 0 HG23 THR A 43 -7.302 -2.152 -14.179 1.00 0.00 H new ATOM 674 N GLU A 44 -3.312 -4.665 -13.016 1.00 0.00 N ATOM 675 CA GLU A 44 -1.868 -4.814 -12.894 1.00 0.00 C ATOM 676 C GLU A 44 -1.164 -3.918 -13.907 1.00 0.00 C ATOM 677 O GLU A 44 -0.004 -3.548 -13.727 1.00 0.00 O ATOM 678 CB GLU A 44 -1.477 -6.275 -13.136 1.00 0.00 C ATOM 679 CG GLU A 44 0.047 -6.412 -13.130 1.00 0.00 C ATOM 680 CD GLU A 44 0.432 -7.887 -13.098 1.00 0.00 C ATOM 681 OE1 GLU A 44 0.067 -8.555 -12.143 1.00 0.00 O ATOM 682 OE2 GLU A 44 1.086 -8.328 -14.029 1.00 0.00 O ATOM 0 H GLU A 44 -3.781 -5.442 -13.482 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.564 -4.521 -11.889 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.911 -6.910 -12.364 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.878 -6.615 -14.091 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.468 -5.936 -14.016 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.464 -5.899 -12.264 1.00 0.00 H new ATOM 689 N GLU A 45 -1.881 -3.573 -14.972 1.00 0.00 N ATOM 690 CA GLU A 45 -1.332 -2.718 -16.018 1.00 0.00 C ATOM 691 C GLU A 45 -1.483 -1.251 -15.639 1.00 0.00 C ATOM 692 O GLU A 45 -0.661 -0.413 -16.010 1.00 0.00 O ATOM 693 CB GLU A 45 -2.069 -2.985 -17.332 1.00 0.00 C ATOM 694 CG GLU A 45 -1.338 -2.308 -18.497 1.00 0.00 C ATOM 695 CD GLU A 45 -1.591 -0.804 -18.470 1.00 0.00 C ATOM 696 OE1 GLU A 45 -2.735 -0.418 -18.287 1.00 0.00 O ATOM 697 OE2 GLU A 45 -0.639 -0.058 -18.631 1.00 0.00 O ATOM 0 H GLU A 45 -2.843 -3.872 -15.133 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.272 -2.942 -16.137 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.134 -4.059 -17.509 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.090 -2.610 -17.267 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.268 -2.506 -18.430 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.681 -2.726 -19.444 1.00 0.00 H new ATOM 704 N SER A 46 -2.543 -0.950 -14.903 1.00 0.00 N ATOM 705 CA SER A 46 -2.807 0.419 -14.478 1.00 0.00 C ATOM 706 C SER A 46 -1.587 1.012 -13.776 1.00 0.00 C ATOM 707 O SER A 46 -1.098 2.074 -14.159 1.00 0.00 O ATOM 708 CB SER A 46 -4.006 0.449 -13.531 1.00 0.00 C ATOM 709 OG SER A 46 -4.467 1.788 -13.398 1.00 0.00 O ATOM 0 H SER A 46 -3.233 -1.632 -14.588 1.00 0.00 H new ATOM 0 HA SER A 46 -3.026 1.016 -15.363 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.804 -0.186 -13.916 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.724 0.051 -12.556 1.00 0.00 H new ATOM 0 HG SER A 46 -5.237 1.810 -12.792 1.00 0.00 H new ATOM 715 N LEU A 47 -1.101 0.322 -12.751 1.00 0.00 N ATOM 716 CA LEU A 47 0.065 0.800 -12.012 1.00 0.00 C ATOM 717 C LEU A 47 1.251 0.992 -12.957 1.00 0.00 C ATOM 718 O LEU A 47 2.101 1.853 -12.733 1.00 0.00 O ATOM 719 CB LEU A 47 0.434 -0.201 -10.905 1.00 0.00 C ATOM 720 CG LEU A 47 -0.473 -0.006 -9.673 1.00 0.00 C ATOM 721 CD1 LEU A 47 -0.129 1.306 -8.937 1.00 0.00 C ATOM 722 CD2 LEU A 47 -1.941 0.016 -10.118 1.00 0.00 C ATOM 0 H LEU A 47 -1.489 -0.559 -12.415 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.180 1.760 -11.557 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.333 -1.220 -11.280 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.478 -0.068 -10.620 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.309 -0.836 -8.985 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.783 1.420 -8.072 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.909 1.276 -8.606 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.270 2.150 -9.612 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.583 0.154 -9.248 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.097 0.837 -10.818 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -2.188 -0.927 -10.605 1.00 0.00 H new ATOM 734 N GLN A 48 1.300 0.186 -14.013 1.00 0.00 N ATOM 735 CA GLN A 48 2.388 0.280 -14.985 1.00 0.00 C ATOM 736 C GLN A 48 2.092 1.364 -16.016 1.00 0.00 C ATOM 737 O GLN A 48 1.838 1.073 -17.186 1.00 0.00 O ATOM 738 CB GLN A 48 2.572 -1.062 -15.693 1.00 0.00 C ATOM 739 CG GLN A 48 2.819 -2.158 -14.655 1.00 0.00 C ATOM 740 CD GLN A 48 3.102 -3.483 -15.354 1.00 0.00 C ATOM 741 OE1 GLN A 48 3.999 -3.565 -16.192 1.00 0.00 O ATOM 742 NE2 GLN A 48 2.384 -4.532 -15.056 1.00 0.00 N ATOM 0 H GLN A 48 0.607 -0.534 -14.218 1.00 0.00 H new ATOM 0 HA GLN A 48 3.304 0.539 -14.454 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.686 -1.298 -16.283 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.411 -1.007 -16.386 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.662 -1.885 -14.019 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.949 -2.258 -14.006 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.641 -4.461 -14.361 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.566 -5.423 -15.518 1.00 0.00 H new ATOM 751 N GLY A 49 2.131 2.618 -15.576 1.00 0.00 N ATOM 752 CA GLY A 49 1.869 3.745 -16.467 1.00 0.00 C ATOM 753 C GLY A 49 2.565 5.001 -15.961 1.00 0.00 C ATOM 754 O GLY A 49 2.517 6.051 -16.604 1.00 0.00 O ATOM 0 H GLY A 49 2.340 2.879 -14.613 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.218 3.509 -17.472 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.795 3.920 -16.535 1.00 0.00 H new ATOM 758 N VAL A 50 3.219 4.883 -14.806 1.00 0.00 N ATOM 759 CA VAL A 50 3.941 6.012 -14.206 1.00 0.00 C ATOM 760 C VAL A 50 5.406 5.622 -13.990 1.00 0.00 C ATOM 761 O VAL A 50 5.779 4.466 -14.185 1.00 0.00 O ATOM 762 CB VAL A 50 3.246 6.421 -12.872 1.00 0.00 C ATOM 763 CG1 VAL A 50 3.917 5.765 -11.650 1.00 0.00 C ATOM 764 CG2 VAL A 50 3.280 7.947 -12.705 1.00 0.00 C ATOM 0 H VAL A 50 3.266 4.019 -14.265 1.00 0.00 H new ATOM 0 HA VAL A 50 3.919 6.874 -14.872 1.00 0.00 H new ATOM 0 HB VAL A 50 2.215 6.072 -12.925 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.402 6.076 -10.741 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.863 4.680 -11.744 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.961 6.073 -11.599 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.792 8.222 -11.770 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.315 8.288 -12.688 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.757 8.416 -13.539 1.00 0.00 H new ATOM 774 N SER A 51 6.234 6.587 -13.588 1.00 0.00 N ATOM 775 CA SER A 51 7.659 6.332 -13.345 1.00 0.00 C ATOM 776 C SER A 51 7.961 6.560 -11.873 1.00 0.00 C ATOM 777 O SER A 51 7.188 7.220 -11.192 1.00 0.00 O ATOM 778 CB SER A 51 8.507 7.276 -14.199 1.00 0.00 C ATOM 779 OG SER A 51 7.954 7.348 -15.506 1.00 0.00 O ATOM 0 H SER A 51 5.946 7.551 -13.423 1.00 0.00 H new ATOM 0 HA SER A 51 7.897 5.303 -13.613 1.00 0.00 H new ATOM 0 HB2 SER A 51 8.535 8.268 -13.748 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.536 6.918 -14.246 1.00 0.00 H new ATOM 0 HG SER A 51 8.493 7.953 -16.057 1.00 0.00 H new ATOM 785 N VAL A 52 9.086 6.028 -11.393 1.00 0.00 N ATOM 786 CA VAL A 52 9.464 6.196 -9.987 1.00 0.00 C ATOM 787 C VAL A 52 9.466 7.682 -9.591 1.00 0.00 C ATOM 788 O VAL A 52 8.989 8.043 -8.516 1.00 0.00 O ATOM 789 CB VAL A 52 10.854 5.556 -9.732 1.00 0.00 C ATOM 790 CG1 VAL A 52 11.585 6.264 -8.573 1.00 0.00 C ATOM 791 CG2 VAL A 52 10.676 4.073 -9.375 1.00 0.00 C ATOM 0 H VAL A 52 9.745 5.483 -11.949 1.00 0.00 H new ATOM 0 HA VAL A 52 8.725 5.689 -9.366 1.00 0.00 H new ATOM 0 HB VAL A 52 11.449 5.660 -10.639 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.557 5.796 -8.415 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.725 7.316 -8.820 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.990 6.181 -7.663 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.652 3.622 -9.196 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.065 3.986 -8.476 1.00 0.00 H new ATOM 0 HG23 VAL A 52 10.184 3.557 -10.199 1.00 0.00 H new ATOM 801 N THR A 53 10.028 8.526 -10.447 1.00 0.00 N ATOM 802 CA THR A 53 10.109 9.958 -10.154 1.00 0.00 C ATOM 803 C THR A 53 8.732 10.574 -9.918 1.00 0.00 C ATOM 804 O THR A 53 8.627 11.614 -9.285 1.00 0.00 O ATOM 805 CB THR A 53 10.805 10.687 -11.315 1.00 0.00 C ATOM 806 OG1 THR A 53 12.205 10.452 -11.246 1.00 0.00 O ATOM 807 CG2 THR A 53 10.538 12.197 -11.229 1.00 0.00 C ATOM 0 H THR A 53 10.432 8.251 -11.342 1.00 0.00 H new ATOM 0 HA THR A 53 10.687 10.073 -9.237 1.00 0.00 H new ATOM 0 HB THR A 53 10.411 10.310 -12.259 1.00 0.00 H new ATOM 0 HG1 THR A 53 12.651 10.914 -11.986 1.00 0.00 H new ATOM 0 HG21 THR A 53 11.036 12.702 -12.056 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.465 12.381 -11.285 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.923 12.581 -10.285 1.00 0.00 H new ATOM 815 N ASP A 54 7.686 9.958 -10.430 1.00 0.00 N ATOM 816 CA ASP A 54 6.350 10.509 -10.249 1.00 0.00 C ATOM 817 C ASP A 54 5.858 10.257 -8.829 1.00 0.00 C ATOM 818 O ASP A 54 5.070 11.028 -8.281 1.00 0.00 O ATOM 819 CB ASP A 54 5.382 9.879 -11.243 1.00 0.00 C ATOM 820 CG ASP A 54 4.029 10.580 -11.157 1.00 0.00 C ATOM 821 OD1 ASP A 54 3.443 10.563 -10.087 1.00 0.00 O ATOM 822 OD2 ASP A 54 3.600 11.124 -12.162 1.00 0.00 O ATOM 0 H ASP A 54 7.728 9.091 -10.966 1.00 0.00 H new ATOM 0 HA ASP A 54 6.396 11.584 -10.423 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.781 9.959 -12.254 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.266 8.816 -11.029 1.00 0.00 H new ATOM 827 N LEU A 55 6.290 9.142 -8.259 1.00 0.00 N ATOM 828 CA LEU A 55 5.862 8.750 -6.919 1.00 0.00 C ATOM 829 C LEU A 55 6.333 9.733 -5.845 1.00 0.00 C ATOM 830 O LEU A 55 5.515 10.402 -5.216 1.00 0.00 O ATOM 831 CB LEU A 55 6.394 7.349 -6.577 1.00 0.00 C ATOM 832 CG LEU A 55 5.707 6.277 -7.447 1.00 0.00 C ATOM 833 CD1 LEU A 55 5.994 6.539 -8.926 1.00 0.00 C ATOM 834 CD2 LEU A 55 6.247 4.888 -7.061 1.00 0.00 C ATOM 0 H LEU A 55 6.938 8.490 -8.702 1.00 0.00 H new ATOM 0 HA LEU A 55 4.772 8.751 -6.927 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.472 7.316 -6.734 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.219 7.136 -5.523 1.00 0.00 H new ATOM 0 HG LEU A 55 4.631 6.316 -7.280 1.00 0.00 H new ATOM 0 HD11 LEU A 55 5.505 5.777 -9.532 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.613 7.522 -9.202 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.070 6.505 -9.099 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.764 4.127 -7.674 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.324 4.857 -7.226 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.036 4.695 -6.009 1.00 0.00 H new ATOM 846 N LYS A 56 7.646 9.795 -5.612 1.00 0.00 N ATOM 847 CA LYS A 56 8.188 10.678 -4.568 1.00 0.00 C ATOM 848 C LYS A 56 7.703 12.119 -4.693 1.00 0.00 C ATOM 849 O LYS A 56 7.504 12.799 -3.686 1.00 0.00 O ATOM 850 CB LYS A 56 9.715 10.668 -4.604 1.00 0.00 C ATOM 851 CG LYS A 56 10.257 11.562 -3.484 1.00 0.00 C ATOM 852 CD LYS A 56 11.724 11.214 -3.195 1.00 0.00 C ATOM 853 CE LYS A 56 12.510 11.146 -4.506 1.00 0.00 C ATOM 854 NZ LYS A 56 13.968 11.264 -4.221 1.00 0.00 N ATOM 0 H LYS A 56 8.346 9.255 -6.121 1.00 0.00 H new ATOM 0 HA LYS A 56 7.823 10.285 -3.619 1.00 0.00 H new ATOM 0 HB2 LYS A 56 10.086 9.650 -4.483 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.069 11.024 -5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.174 12.610 -3.772 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.659 11.431 -2.582 1.00 0.00 H new ATOM 0 HD2 LYS A 56 12.162 11.964 -2.537 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.785 10.258 -2.674 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.304 10.206 -5.017 1.00 0.00 H new ATOM 0 HE3 LYS A 56 12.194 11.947 -5.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 14.501 11.218 -5.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 14.158 12.172 -3.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 14.264 10.484 -3.600 1.00 0.00 H new ATOM 868 N ILE A 57 7.517 12.590 -5.918 1.00 0.00 N ATOM 869 CA ILE A 57 7.057 13.960 -6.131 1.00 0.00 C ATOM 870 C ILE A 57 5.550 14.026 -5.918 1.00 0.00 C ATOM 871 O ILE A 57 4.985 15.096 -5.702 1.00 0.00 O ATOM 872 CB ILE A 57 7.438 14.436 -7.544 1.00 0.00 C ATOM 873 CG1 ILE A 57 6.568 13.726 -8.589 1.00 0.00 C ATOM 874 CG2 ILE A 57 8.912 14.095 -7.787 1.00 0.00 C ATOM 875 CD1 ILE A 57 6.991 14.128 -10.008 1.00 0.00 C ATOM 0 H ILE A 57 7.674 12.054 -6.771 1.00 0.00 H new ATOM 0 HA ILE A 57 7.541 14.623 -5.414 1.00 0.00 H new ATOM 0 HB ILE A 57 7.279 15.511 -7.629 1.00 0.00 H new ATOM 0 HG12 ILE A 57 6.656 12.646 -8.470 1.00 0.00 H new ATOM 0 HG13 ILE A 57 5.520 13.980 -8.431 1.00 0.00 H new ATOM 0 HG21 ILE A 57 9.202 14.425 -8.785 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.530 14.600 -7.044 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.054 13.017 -7.705 1.00 0.00 H new ATOM 0 HD11 ILE A 57 6.362 13.614 -10.735 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.879 15.205 -10.129 1.00 0.00 H new ATOM 0 HD13 ILE A 57 8.033 13.851 -10.169 1.00 0.00 H new ATOM 887 N GLY A 58 4.906 12.865 -5.988 1.00 0.00 N ATOM 888 CA GLY A 58 3.463 12.782 -5.808 1.00 0.00 C ATOM 889 C GLY A 58 3.065 13.087 -4.367 1.00 0.00 C ATOM 890 O GLY A 58 2.077 13.780 -4.124 1.00 0.00 O ATOM 0 H GLY A 58 5.361 11.970 -6.168 1.00 0.00 H new ATOM 0 HA2 GLY A 58 2.970 13.484 -6.480 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.117 11.785 -6.080 1.00 0.00 H new ATOM 894 N LEU A 59 3.836 12.574 -3.413 1.00 0.00 N ATOM 895 CA LEU A 59 3.536 12.815 -2.008 1.00 0.00 C ATOM 896 C LEU A 59 3.888 14.248 -1.644 1.00 0.00 C ATOM 897 O LEU A 59 3.045 14.992 -1.143 1.00 0.00 O ATOM 898 CB LEU A 59 4.314 11.852 -1.095 1.00 0.00 C ATOM 899 CG LEU A 59 3.958 10.375 -1.384 1.00 0.00 C ATOM 900 CD1 LEU A 59 2.435 10.172 -1.377 1.00 0.00 C ATOM 901 CD2 LEU A 59 4.533 9.935 -2.741 1.00 0.00 C ATOM 0 H LEU A 59 4.660 11.998 -3.584 1.00 0.00 H new ATOM 0 HA LEU A 59 2.470 12.644 -1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.384 12.002 -1.236 1.00 0.00 H new ATOM 0 HB3 LEU A 59 4.094 12.082 -0.052 1.00 0.00 H new ATOM 0 HG LEU A 59 4.399 9.763 -0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.206 9.126 -1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.036 10.446 -0.400 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.981 10.800 -2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.272 8.893 -2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.117 10.559 -3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.618 10.040 -2.728 1.00 0.00 H new ATOM 913 N ALA A 60 5.126 14.646 -1.911 1.00 0.00 N ATOM 914 CA ALA A 60 5.538 16.008 -1.613 1.00 0.00 C ATOM 915 C ALA A 60 4.816 16.965 -2.550 1.00 0.00 C ATOM 916 O ALA A 60 4.421 18.062 -2.152 1.00 0.00 O ATOM 917 CB ALA A 60 7.054 16.160 -1.774 1.00 0.00 C ATOM 0 H ALA A 60 5.848 14.057 -2.325 1.00 0.00 H new ATOM 0 HA ALA A 60 5.280 16.241 -0.580 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.343 17.186 -1.547 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.562 15.480 -1.091 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.337 15.922 -2.800 1.00 0.00 H new ATOM 923 N GLY A 61 4.633 16.533 -3.802 1.00 0.00 N ATOM 924 CA GLY A 61 3.938 17.353 -4.802 1.00 0.00 C ATOM 925 C GLY A 61 4.844 17.683 -5.982 1.00 0.00 C ATOM 926 O GLY A 61 4.474 17.469 -7.136 1.00 0.00 O ATOM 0 H GLY A 61 4.953 15.628 -4.146 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.054 16.823 -5.158 1.00 0.00 H new ATOM 0 HA3 GLY A 61 3.591 18.277 -4.339 1.00 0.00 H new ATOM 930 N SER A 62 6.031 18.212 -5.691 1.00 0.00 N ATOM 931 CA SER A 62 6.982 18.574 -6.744 1.00 0.00 C ATOM 932 C SER A 62 8.400 18.176 -6.354 1.00 0.00 C ATOM 933 O SER A 62 8.768 18.229 -5.182 1.00 0.00 O ATOM 934 CB SER A 62 6.928 20.082 -6.992 1.00 0.00 C ATOM 935 OG SER A 62 7.459 20.760 -5.861 1.00 0.00 O ATOM 0 H SER A 62 6.357 18.399 -4.743 1.00 0.00 H new ATOM 0 HA SER A 62 6.707 18.040 -7.653 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.499 20.337 -7.885 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.900 20.397 -7.170 1.00 0.00 H new ATOM 0 HG SER A 62 7.663 21.688 -6.102 1.00 0.00 H new ATOM 941 N GLU A 63 9.191 17.785 -7.349 1.00 0.00 N ATOM 942 CA GLU A 63 10.572 17.381 -7.112 1.00 0.00 C ATOM 943 C GLU A 63 11.379 18.515 -6.490 1.00 0.00 C ATOM 944 O GLU A 63 12.596 18.408 -6.337 1.00 0.00 O ATOM 945 CB GLU A 63 11.228 16.957 -8.427 1.00 0.00 C ATOM 946 CG GLU A 63 11.149 18.101 -9.440 1.00 0.00 C ATOM 947 CD GLU A 63 11.812 17.684 -10.748 1.00 0.00 C ATOM 948 OE1 GLU A 63 12.812 16.989 -10.686 1.00 0.00 O ATOM 949 OE2 GLU A 63 11.309 18.065 -11.793 1.00 0.00 O ATOM 0 H GLU A 63 8.899 17.740 -8.325 1.00 0.00 H new ATOM 0 HA GLU A 63 10.559 16.541 -6.418 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.269 16.685 -8.253 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.729 16.073 -8.824 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.108 18.368 -9.619 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.641 18.987 -9.039 1.00 0.00 H new ATOM 956 N GLU A 64 10.701 19.600 -6.137 1.00 0.00 N ATOM 957 CA GLU A 64 11.370 20.744 -5.539 1.00 0.00 C ATOM 958 C GLU A 64 11.583 20.541 -4.039 1.00 0.00 C ATOM 959 O GLU A 64 12.701 20.682 -3.545 1.00 0.00 O ATOM 960 CB GLU A 64 10.538 22.006 -5.772 1.00 0.00 C ATOM 961 CG GLU A 64 10.252 22.160 -7.267 1.00 0.00 C ATOM 962 CD GLU A 64 9.354 23.370 -7.504 1.00 0.00 C ATOM 963 OE1 GLU A 64 9.872 24.474 -7.513 1.00 0.00 O ATOM 964 OE2 GLU A 64 8.161 23.173 -7.673 1.00 0.00 O ATOM 0 H GLU A 64 9.694 19.710 -6.254 1.00 0.00 H new ATOM 0 HA GLU A 64 12.347 20.851 -6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.602 21.945 -5.216 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.073 22.880 -5.401 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.187 22.278 -7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.771 21.259 -7.648 1.00 0.00 H new ATOM 971 N ASP A 65 10.501 20.255 -3.306 1.00 0.00 N ATOM 972 CA ASP A 65 10.590 20.088 -1.849 1.00 0.00 C ATOM 973 C ASP A 65 10.709 18.625 -1.412 1.00 0.00 C ATOM 974 O ASP A 65 10.882 18.359 -0.224 1.00 0.00 O ATOM 975 CB ASP A 65 9.349 20.712 -1.194 1.00 0.00 C ATOM 976 CG ASP A 65 9.470 22.235 -1.175 1.00 0.00 C ATOM 977 OD1 ASP A 65 9.963 22.783 -2.147 1.00 0.00 O ATOM 978 OD2 ASP A 65 9.070 22.828 -0.187 1.00 0.00 O ATOM 0 H ASP A 65 9.564 20.135 -3.691 1.00 0.00 H new ATOM 0 HA ASP A 65 11.502 20.590 -1.526 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.454 20.418 -1.742 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.238 20.336 -0.177 1.00 0.00 H new ATOM 983 N VAL A 66 10.613 17.677 -2.338 1.00 0.00 N ATOM 984 CA VAL A 66 10.715 16.266 -1.953 1.00 0.00 C ATOM 985 C VAL A 66 11.876 16.056 -0.981 1.00 0.00 C ATOM 986 O VAL A 66 11.868 15.123 -0.180 1.00 0.00 O ATOM 987 CB VAL A 66 10.917 15.370 -3.183 1.00 0.00 C ATOM 988 CG1 VAL A 66 9.595 15.196 -3.919 1.00 0.00 C ATOM 989 CG2 VAL A 66 11.927 15.998 -4.136 1.00 0.00 C ATOM 0 H VAL A 66 10.469 17.847 -3.333 1.00 0.00 H new ATOM 0 HA VAL A 66 9.780 15.991 -1.466 1.00 0.00 H new ATOM 0 HB VAL A 66 11.287 14.402 -2.845 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.745 14.559 -4.791 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.866 14.734 -3.253 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.227 16.170 -4.240 1.00 0.00 H new ATOM 0 HG21 VAL A 66 12.060 15.351 -5.003 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.563 16.972 -4.462 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.882 16.120 -3.625 1.00 0.00 H new ATOM 999 N ASP A 67 12.869 16.931 -1.062 1.00 0.00 N ATOM 1000 CA ASP A 67 14.035 16.834 -0.190 1.00 0.00 C ATOM 1001 C ASP A 67 13.623 16.862 1.281 1.00 0.00 C ATOM 1002 O ASP A 67 14.274 16.249 2.128 1.00 0.00 O ATOM 1003 CB ASP A 67 14.988 17.997 -0.473 1.00 0.00 C ATOM 1004 CG ASP A 67 16.328 17.754 0.215 1.00 0.00 C ATOM 1005 OD1 ASP A 67 16.412 16.817 0.992 1.00 0.00 O ATOM 1006 OD2 ASP A 67 17.250 18.510 -0.045 1.00 0.00 O ATOM 0 H ASP A 67 12.893 17.712 -1.718 1.00 0.00 H new ATOM 0 HA ASP A 67 14.535 15.887 -0.392 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.136 18.103 -1.548 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.551 18.930 -0.117 1.00 0.00 H new ATOM 1011 N MET A 68 12.545 17.585 1.582 1.00 0.00 N ATOM 1012 CA MET A 68 12.061 17.700 2.960 1.00 0.00 C ATOM 1013 C MET A 68 11.017 16.628 3.275 1.00 0.00 C ATOM 1014 O MET A 68 10.598 16.482 4.424 1.00 0.00 O ATOM 1015 CB MET A 68 11.450 19.091 3.177 1.00 0.00 C ATOM 1016 CG MET A 68 12.275 20.138 2.426 1.00 0.00 C ATOM 1017 SD MET A 68 14.038 19.879 2.753 1.00 0.00 S ATOM 1018 CE MET A 68 13.954 19.982 4.557 1.00 0.00 C ATOM 0 H MET A 68 11.992 18.098 0.895 1.00 0.00 H new ATOM 0 HA MET A 68 12.909 17.557 3.630 1.00 0.00 H new ATOM 0 HB2 MET A 68 10.419 19.105 2.825 1.00 0.00 H new ATOM 0 HB3 MET A 68 11.427 19.327 4.241 1.00 0.00 H new ATOM 0 HG2 MET A 68 12.080 20.069 1.356 1.00 0.00 H new ATOM 0 HG3 MET A 68 11.981 21.140 2.739 1.00 0.00 H new ATOM 0 HE1 MET A 68 14.901 20.358 4.944 1.00 0.00 H new ATOM 0 HE2 MET A 68 13.149 20.658 4.846 1.00 0.00 H new ATOM 0 HE3 MET A 68 13.761 18.992 4.969 1.00 0.00 H new ATOM 1028 N LEU A 69 10.596 15.883 2.258 1.00 0.00 N ATOM 1029 CA LEU A 69 9.600 14.838 2.460 1.00 0.00 C ATOM 1030 C LEU A 69 9.999 13.949 3.636 1.00 0.00 C ATOM 1031 O LEU A 69 9.549 14.161 4.759 1.00 0.00 O ATOM 1032 CB LEU A 69 9.465 13.995 1.184 1.00 0.00 C ATOM 1033 CG LEU A 69 8.510 12.813 1.408 1.00 0.00 C ATOM 1034 CD1 LEU A 69 7.167 13.308 1.960 1.00 0.00 C ATOM 1035 CD2 LEU A 69 8.283 12.101 0.068 1.00 0.00 C ATOM 0 H LEU A 69 10.924 15.981 1.297 1.00 0.00 H new ATOM 0 HA LEU A 69 8.640 15.302 2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.095 14.617 0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.445 13.624 0.883 1.00 0.00 H new ATOM 0 HG LEU A 69 8.950 12.125 2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.501 12.459 2.113 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.330 13.818 2.910 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.714 14.000 1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.606 11.259 0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.846 12.799 -0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.236 11.738 -0.317 1.00 0.00 H new ATOM 1047 N ASP A 70 10.852 12.963 3.353 1.00 0.00 N ATOM 1048 CA ASP A 70 11.343 12.017 4.362 1.00 0.00 C ATOM 1049 C ASP A 70 11.732 10.719 3.662 1.00 0.00 C ATOM 1050 O ASP A 70 12.587 9.969 4.134 1.00 0.00 O ATOM 1051 CB ASP A 70 10.268 11.744 5.440 1.00 0.00 C ATOM 1052 CG ASP A 70 10.524 10.414 6.153 1.00 0.00 C ATOM 1053 OD1 ASP A 70 11.337 10.399 7.063 1.00 0.00 O ATOM 1054 OD2 ASP A 70 9.903 9.434 5.776 1.00 0.00 O ATOM 0 H ASP A 70 11.223 12.796 2.418 1.00 0.00 H new ATOM 0 HA ASP A 70 12.210 12.446 4.865 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.265 12.555 6.168 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.281 11.727 4.977 1.00 0.00 H new ATOM 1059 N THR A 71 11.087 10.473 2.529 1.00 0.00 N ATOM 1060 CA THR A 71 11.344 9.277 1.742 1.00 0.00 C ATOM 1061 C THR A 71 12.801 9.272 1.253 1.00 0.00 C ATOM 1062 O THR A 71 13.294 10.301 0.787 1.00 0.00 O ATOM 1063 CB THR A 71 10.387 9.271 0.545 1.00 0.00 C ATOM 1064 OG1 THR A 71 9.105 9.708 0.972 1.00 0.00 O ATOM 1065 CG2 THR A 71 10.267 7.866 -0.038 1.00 0.00 C ATOM 0 H THR A 71 10.378 11.091 2.134 1.00 0.00 H new ATOM 0 HA THR A 71 11.184 8.387 2.351 1.00 0.00 H new ATOM 0 HB THR A 71 10.778 9.939 -0.222 1.00 0.00 H new ATOM 0 HG1 THR A 71 8.415 9.285 0.420 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.583 7.881 -0.887 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.248 7.524 -0.368 1.00 0.00 H new ATOM 0 HG23 THR A 71 9.884 7.187 0.724 1.00 0.00 H new ATOM 1073 N PRO A 72 13.510 8.164 1.345 1.00 0.00 N ATOM 1074 CA PRO A 72 14.933 8.100 0.893 1.00 0.00 C ATOM 1075 C PRO A 72 15.060 8.143 -0.631 1.00 0.00 C ATOM 1076 O PRO A 72 15.132 9.219 -1.225 1.00 0.00 O ATOM 1077 CB PRO A 72 15.431 6.763 1.464 1.00 0.00 C ATOM 1078 CG PRO A 72 14.210 5.910 1.554 1.00 0.00 C ATOM 1079 CD PRO A 72 13.055 6.862 1.879 1.00 0.00 C ATOM 0 HA PRO A 72 15.516 8.954 1.237 1.00 0.00 H new ATOM 0 HB2 PRO A 72 16.182 6.311 0.816 1.00 0.00 H new ATOM 0 HB3 PRO A 72 15.893 6.898 2.442 1.00 0.00 H new ATOM 0 HG2 PRO A 72 14.031 5.385 0.616 1.00 0.00 H new ATOM 0 HG3 PRO A 72 14.320 5.151 2.329 1.00 0.00 H new ATOM 0 HD2 PRO A 72 12.126 6.539 1.409 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.868 6.913 2.952 1.00 0.00 H new ATOM 1087 N MET A 73 15.092 6.969 -1.250 1.00 0.00 N ATOM 1088 CA MET A 73 15.217 6.884 -2.704 1.00 0.00 C ATOM 1089 C MET A 73 15.048 5.446 -3.188 1.00 0.00 C ATOM 1090 O MET A 73 14.641 5.204 -4.325 1.00 0.00 O ATOM 1091 CB MET A 73 16.586 7.405 -3.139 1.00 0.00 C ATOM 1092 CG MET A 73 17.672 6.403 -2.742 1.00 0.00 C ATOM 1093 SD MET A 73 19.292 7.207 -2.814 1.00 0.00 S ATOM 1094 CE MET A 73 20.103 6.198 -1.551 1.00 0.00 C ATOM 0 H MET A 73 15.034 6.068 -0.775 1.00 0.00 H new ATOM 0 HA MET A 73 14.430 7.495 -3.146 1.00 0.00 H new ATOM 0 HB2 MET A 73 16.600 7.562 -4.218 1.00 0.00 H new ATOM 0 HB3 MET A 73 16.782 8.371 -2.674 1.00 0.00 H new ATOM 0 HG2 MET A 73 17.485 6.028 -1.736 1.00 0.00 H new ATOM 0 HG3 MET A 73 17.651 5.543 -3.412 1.00 0.00 H new ATOM 0 HE1 MET A 73 21.135 6.528 -1.429 1.00 0.00 H new ATOM 0 HE2 MET A 73 19.573 6.305 -0.604 1.00 0.00 H new ATOM 0 HE3 MET A 73 20.090 5.152 -1.857 1.00 0.00 H new ATOM 1104 N SER A 74 15.360 4.492 -2.320 1.00 0.00 N ATOM 1105 CA SER A 74 15.229 3.081 -2.661 1.00 0.00 C ATOM 1106 C SER A 74 13.824 2.606 -2.322 1.00 0.00 C ATOM 1107 O SER A 74 13.365 1.580 -2.822 1.00 0.00 O ATOM 1108 CB SER A 74 16.251 2.254 -1.879 1.00 0.00 C ATOM 1109 OG SER A 74 17.562 2.628 -2.279 1.00 0.00 O ATOM 0 H SER A 74 15.705 4.669 -1.377 1.00 0.00 H new ATOM 0 HA SER A 74 15.411 2.954 -3.728 1.00 0.00 H new ATOM 0 HB2 SER A 74 16.125 2.416 -0.809 1.00 0.00 H new ATOM 0 HB3 SER A 74 16.092 1.191 -2.061 1.00 0.00 H new ATOM 0 HG SER A 74 18.220 2.101 -1.779 1.00 0.00 H new ATOM 1115 N ALA A 75 13.145 3.366 -1.466 1.00 0.00 N ATOM 1116 CA ALA A 75 11.793 3.024 -1.058 1.00 0.00 C ATOM 1117 C ALA A 75 10.834 3.118 -2.238 1.00 0.00 C ATOM 1118 O ALA A 75 9.903 2.324 -2.357 1.00 0.00 O ATOM 1119 CB ALA A 75 11.336 3.962 0.054 1.00 0.00 C ATOM 0 H ALA A 75 13.511 4.220 -1.045 1.00 0.00 H new ATOM 0 HA ALA A 75 11.792 1.998 -0.691 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.322 3.701 0.356 1.00 0.00 H new ATOM 0 HB2 ALA A 75 12.005 3.866 0.909 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.354 4.990 -0.307 1.00 0.00 H new ATOM 1125 N LEU A 76 11.065 4.087 -3.118 1.00 0.00 N ATOM 1126 CA LEU A 76 10.202 4.235 -4.281 1.00 0.00 C ATOM 1127 C LEU A 76 10.347 3.004 -5.157 1.00 0.00 C ATOM 1128 O LEU A 76 9.365 2.397 -5.581 1.00 0.00 O ATOM 1129 CB LEU A 76 10.586 5.453 -5.126 1.00 0.00 C ATOM 1130 CG LEU A 76 10.622 6.746 -4.295 1.00 0.00 C ATOM 1131 CD1 LEU A 76 9.324 6.903 -3.502 1.00 0.00 C ATOM 1132 CD2 LEU A 76 11.823 6.759 -3.333 1.00 0.00 C ATOM 0 H LEU A 76 11.824 4.766 -3.051 1.00 0.00 H new ATOM 0 HA LEU A 76 9.181 4.363 -3.922 1.00 0.00 H new ATOM 0 HB2 LEU A 76 11.564 5.286 -5.578 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.872 5.567 -5.942 1.00 0.00 H new ATOM 0 HG LEU A 76 10.727 7.582 -4.986 1.00 0.00 H new ATOM 0 HD11 LEU A 76 9.363 7.823 -2.918 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.480 6.946 -4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.202 6.052 -2.831 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.820 7.686 -2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.753 5.911 -2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.748 6.689 -3.905 1.00 0.00 H new ATOM 1144 N LYS A 77 11.597 2.664 -5.430 1.00 0.00 N ATOM 1145 CA LYS A 77 11.914 1.524 -6.273 1.00 0.00 C ATOM 1146 C LYS A 77 11.581 0.213 -5.566 1.00 0.00 C ATOM 1147 O LYS A 77 11.582 -0.851 -6.184 1.00 0.00 O ATOM 1148 CB LYS A 77 13.402 1.580 -6.670 1.00 0.00 C ATOM 1149 CG LYS A 77 13.864 3.057 -6.748 1.00 0.00 C ATOM 1150 CD LYS A 77 14.970 3.229 -7.805 1.00 0.00 C ATOM 1151 CE LYS A 77 15.822 4.465 -7.480 1.00 0.00 C ATOM 1152 NZ LYS A 77 16.444 4.978 -8.733 1.00 0.00 N ATOM 0 H LYS A 77 12.412 3.165 -5.077 1.00 0.00 H new ATOM 0 HA LYS A 77 11.306 1.568 -7.176 1.00 0.00 H new ATOM 0 HB2 LYS A 77 14.004 1.038 -5.941 1.00 0.00 H new ATOM 0 HB3 LYS A 77 13.551 1.091 -7.633 1.00 0.00 H new ATOM 0 HG2 LYS A 77 13.016 3.695 -6.995 1.00 0.00 H new ATOM 0 HG3 LYS A 77 14.232 3.379 -5.774 1.00 0.00 H new ATOM 0 HD2 LYS A 77 15.600 2.340 -7.832 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.525 3.334 -8.795 1.00 0.00 H new ATOM 0 HE2 LYS A 77 15.203 5.238 -7.025 1.00 0.00 H new ATOM 0 HE3 LYS A 77 16.595 4.208 -6.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 17.022 5.815 -8.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 17.047 4.240 -9.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 15.698 5.238 -9.410 1.00 0.00 H new ATOM 1166 N ASP A 78 11.254 0.298 -4.277 1.00 0.00 N ATOM 1167 CA ASP A 78 10.874 -0.885 -3.516 1.00 0.00 C ATOM 1168 C ASP A 78 9.385 -1.127 -3.706 1.00 0.00 C ATOM 1169 O ASP A 78 8.951 -2.233 -4.032 1.00 0.00 O ATOM 1170 CB ASP A 78 11.168 -0.679 -2.027 1.00 0.00 C ATOM 1171 CG ASP A 78 12.671 -0.715 -1.777 1.00 0.00 C ATOM 1172 OD1 ASP A 78 13.385 -1.190 -2.646 1.00 0.00 O ATOM 1173 OD2 ASP A 78 13.087 -0.269 -0.721 1.00 0.00 O ATOM 0 H ASP A 78 11.245 1.168 -3.744 1.00 0.00 H new ATOM 0 HA ASP A 78 11.447 -1.742 -3.870 1.00 0.00 H new ATOM 0 HB2 ASP A 78 10.760 0.276 -1.697 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.676 -1.455 -1.441 1.00 0.00 H new ATOM 1178 N ALA A 79 8.612 -0.068 -3.494 1.00 0.00 N ATOM 1179 CA ALA A 79 7.165 -0.132 -3.635 1.00 0.00 C ATOM 1180 C ALA A 79 6.756 -0.283 -5.100 1.00 0.00 C ATOM 1181 O ALA A 79 6.059 -1.235 -5.452 1.00 0.00 O ATOM 1182 CB ALA A 79 6.543 1.137 -3.049 1.00 0.00 C ATOM 0 H ALA A 79 8.967 0.849 -3.223 1.00 0.00 H new ATOM 0 HA ALA A 79 6.803 -1.007 -3.095 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.459 1.092 -3.153 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.803 1.216 -1.993 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.923 2.008 -3.582 1.00 0.00 H new ATOM 1188 N VAL A 80 7.174 0.674 -5.946 1.00 0.00 N ATOM 1189 CA VAL A 80 6.832 0.656 -7.378 1.00 0.00 C ATOM 1190 C VAL A 80 6.786 -0.775 -7.917 1.00 0.00 C ATOM 1191 O VAL A 80 6.087 -1.067 -8.887 1.00 0.00 O ATOM 1192 CB VAL A 80 7.834 1.513 -8.167 1.00 0.00 C ATOM 1193 CG1 VAL A 80 9.078 0.702 -8.535 1.00 0.00 C ATOM 1194 CG2 VAL A 80 7.186 2.032 -9.454 1.00 0.00 C ATOM 0 H VAL A 80 7.748 1.468 -5.663 1.00 0.00 H new ATOM 0 HA VAL A 80 5.836 1.082 -7.502 1.00 0.00 H new ATOM 0 HB VAL A 80 8.127 2.350 -7.533 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.771 1.332 -9.093 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.562 0.346 -7.626 1.00 0.00 H new ATOM 0 HG13 VAL A 80 8.788 -0.151 -9.149 1.00 0.00 H new ATOM 0 HG21 VAL A 80 7.905 2.638 -10.005 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.875 1.189 -10.070 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.316 2.639 -9.204 1.00 0.00 H new ATOM 1204 N ARG A 81 7.529 -1.656 -7.263 1.00 0.00 N ATOM 1205 CA ARG A 81 7.569 -3.060 -7.655 1.00 0.00 C ATOM 1206 C ARG A 81 6.321 -3.774 -7.148 1.00 0.00 C ATOM 1207 O ARG A 81 5.593 -4.413 -7.906 1.00 0.00 O ATOM 1208 CB ARG A 81 8.807 -3.743 -7.066 1.00 0.00 C ATOM 1209 CG ARG A 81 9.006 -5.109 -7.738 1.00 0.00 C ATOM 1210 CD ARG A 81 9.937 -5.982 -6.889 1.00 0.00 C ATOM 1211 NE ARG A 81 11.292 -5.447 -6.910 1.00 0.00 N ATOM 1212 CZ ARG A 81 12.306 -6.123 -6.375 1.00 0.00 C ATOM 1213 NH1 ARG A 81 12.092 -7.278 -5.807 1.00 0.00 N ATOM 1214 NH2 ARG A 81 13.514 -5.630 -6.420 1.00 0.00 N ATOM 0 H ARG A 81 8.112 -1.425 -6.459 1.00 0.00 H new ATOM 0 HA ARG A 81 7.611 -3.114 -8.743 1.00 0.00 H new ATOM 0 HB2 ARG A 81 9.687 -3.119 -7.219 1.00 0.00 H new ATOM 0 HB3 ARG A 81 8.689 -3.869 -5.990 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.044 -5.605 -7.864 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.428 -4.975 -8.734 1.00 0.00 H new ATOM 0 HD2 ARG A 81 9.571 -6.024 -5.863 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.936 -7.003 -7.270 1.00 0.00 H new ATOM 0 HE ARG A 81 11.466 -4.540 -7.342 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.148 -7.663 -5.773 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.869 -7.796 -5.397 1.00 0.00 H new ATOM 0 HH21 ARG A 81 13.680 -4.727 -6.865 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.292 -6.147 -6.010 1.00 0.00 H new ATOM 1228 N ILE A 82 6.108 -3.682 -5.844 1.00 0.00 N ATOM 1229 CA ILE A 82 4.975 -4.336 -5.212 1.00 0.00 C ATOM 1230 C ILE A 82 3.648 -4.019 -5.922 1.00 0.00 C ATOM 1231 O ILE A 82 2.823 -4.915 -6.092 1.00 0.00 O ATOM 1232 CB ILE A 82 4.912 -3.946 -3.726 1.00 0.00 C ATOM 1233 CG1 ILE A 82 5.996 -4.711 -2.955 1.00 0.00 C ATOM 1234 CG2 ILE A 82 3.538 -4.299 -3.148 1.00 0.00 C ATOM 1235 CD1 ILE A 82 6.150 -4.113 -1.557 1.00 0.00 C ATOM 0 H ILE A 82 6.706 -3.160 -5.203 1.00 0.00 H new ATOM 0 HA ILE A 82 5.122 -5.413 -5.295 1.00 0.00 H new ATOM 0 HB ILE A 82 5.075 -2.872 -3.631 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.730 -5.765 -2.883 1.00 0.00 H new ATOM 0 HG13 ILE A 82 6.944 -4.658 -3.491 1.00 0.00 H new ATOM 0 HG21 ILE A 82 3.503 -4.019 -2.095 1.00 0.00 H new ATOM 0 HG22 ILE A 82 2.764 -3.758 -3.693 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.367 -5.371 -3.244 1.00 0.00 H new ATOM 0 HD11 ILE A 82 6.920 -4.658 -1.011 1.00 0.00 H new ATOM 0 HD12 ILE A 82 6.436 -3.064 -1.639 1.00 0.00 H new ATOM 0 HD13 ILE A 82 5.203 -4.190 -1.022 1.00 0.00 H new ATOM 1247 N LEU A 83 3.422 -2.766 -6.338 1.00 0.00 N ATOM 1248 CA LEU A 83 2.158 -2.452 -7.018 1.00 0.00 C ATOM 1249 C LEU A 83 2.225 -2.944 -8.458 1.00 0.00 C ATOM 1250 O LEU A 83 1.230 -3.413 -9.010 1.00 0.00 O ATOM 1251 CB LEU A 83 1.791 -0.935 -7.009 1.00 0.00 C ATOM 1252 CG LEU A 83 2.460 -0.149 -5.856 1.00 0.00 C ATOM 1253 CD1 LEU A 83 2.569 -0.976 -4.562 1.00 0.00 C ATOM 1254 CD2 LEU A 83 3.826 0.332 -6.302 1.00 0.00 C ATOM 0 H LEU A 83 4.066 -1.983 -6.223 1.00 0.00 H new ATOM 0 HA LEU A 83 1.374 -2.962 -6.459 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.086 -0.492 -7.960 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.709 -0.831 -6.930 1.00 0.00 H new ATOM 0 HG LEU A 83 1.826 0.706 -5.622 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.046 -0.377 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.572 -1.270 -4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.166 -1.868 -4.750 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.299 0.886 -5.491 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.445 -0.525 -6.566 1.00 0.00 H new ATOM 0 HD23 LEU A 83 3.717 0.982 -7.170 1.00 0.00 H new ATOM 1266 N TRP A 84 3.408 -2.845 -9.057 1.00 0.00 N ATOM 1267 CA TRP A 84 3.589 -3.300 -10.439 1.00 0.00 C ATOM 1268 C TRP A 84 2.938 -4.676 -10.614 1.00 0.00 C ATOM 1269 O TRP A 84 2.615 -5.087 -11.728 1.00 0.00 O ATOM 1270 CB TRP A 84 5.101 -3.386 -10.760 1.00 0.00 C ATOM 1271 CG TRP A 84 5.510 -2.385 -11.795 1.00 0.00 C ATOM 1272 CD1 TRP A 84 6.220 -2.673 -12.909 1.00 0.00 C ATOM 1273 CD2 TRP A 84 5.272 -0.950 -11.820 1.00 0.00 C ATOM 1274 NE1 TRP A 84 6.431 -1.506 -13.617 1.00 0.00 N ATOM 1275 CE2 TRP A 84 5.865 -0.416 -12.988 1.00 0.00 C ATOM 1276 CE3 TRP A 84 4.602 -0.067 -10.954 1.00 0.00 C ATOM 1277 CZ2 TRP A 84 5.801 0.944 -13.285 1.00 0.00 C ATOM 1278 CZ3 TRP A 84 4.536 1.303 -11.251 1.00 0.00 C ATOM 1279 CH2 TRP A 84 5.135 1.805 -12.414 1.00 0.00 C ATOM 0 H TRP A 84 4.245 -2.461 -8.619 1.00 0.00 H new ATOM 0 HA TRP A 84 3.118 -2.593 -11.122 1.00 0.00 H new ATOM 0 HB2 TRP A 84 5.676 -3.221 -9.849 1.00 0.00 H new ATOM 0 HB3 TRP A 84 5.341 -4.390 -11.111 1.00 0.00 H new ATOM 0 HD1 TRP A 84 6.566 -3.655 -13.198 1.00 0.00 H new ATOM 0 HE1 TRP A 84 6.943 -1.456 -14.498 1.00 0.00 H new ATOM 0 HE3 TRP A 84 4.136 -0.445 -10.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 6.263 1.328 -14.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 4.021 1.974 -10.580 1.00 0.00 H new ATOM 0 HH2 TRP A 84 5.081 2.861 -12.636 1.00 0.00 H new ATOM 1290 N GLY A 85 2.768 -5.382 -9.499 1.00 0.00 N ATOM 1291 CA GLY A 85 2.175 -6.714 -9.524 1.00 0.00 C ATOM 1292 C GLY A 85 3.249 -7.765 -9.784 1.00 0.00 C ATOM 1293 O GLY A 85 2.948 -8.894 -10.173 1.00 0.00 O ATOM 0 H GLY A 85 3.032 -5.054 -8.570 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.680 -6.917 -8.575 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.411 -6.765 -10.300 1.00 0.00 H new ATOM 1297 N GLU A 86 4.508 -7.380 -9.566 1.00 0.00 N ATOM 1298 CA GLU A 86 5.644 -8.284 -9.779 1.00 0.00 C ATOM 1299 C GLU A 86 6.292 -8.651 -8.448 1.00 0.00 C ATOM 1300 O GLU A 86 7.266 -9.404 -8.414 1.00 0.00 O ATOM 1301 CB GLU A 86 6.680 -7.609 -10.679 1.00 0.00 C ATOM 1302 CG GLU A 86 6.071 -7.356 -12.059 1.00 0.00 C ATOM 1303 CD GLU A 86 7.085 -6.660 -12.959 1.00 0.00 C ATOM 1304 OE1 GLU A 86 8.253 -6.655 -12.610 1.00 0.00 O ATOM 1305 OE2 GLU A 86 6.677 -6.143 -13.987 1.00 0.00 O ATOM 0 H GLU A 86 4.768 -6.449 -9.242 1.00 0.00 H new ATOM 0 HA GLU A 86 5.279 -9.193 -10.257 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.005 -6.668 -10.235 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.564 -8.240 -10.770 1.00 0.00 H new ATOM 0 HG2 GLU A 86 5.763 -8.300 -12.508 1.00 0.00 H new ATOM 0 HG3 GLU A 86 5.176 -6.741 -11.963 1.00 0.00 H new ATOM 1312 N ALA A 87 5.744 -8.108 -7.360 1.00 0.00 N ATOM 1313 CA ALA A 87 6.262 -8.366 -6.012 1.00 0.00 C ATOM 1314 C ALA A 87 6.859 -9.774 -5.894 1.00 0.00 C ATOM 1315 O ALA A 87 8.033 -9.935 -5.557 1.00 0.00 O ATOM 1316 CB ALA A 87 5.121 -8.192 -4.992 1.00 0.00 C ATOM 0 H ALA A 87 4.938 -7.484 -7.385 1.00 0.00 H new ATOM 0 HA ALA A 87 7.061 -7.653 -5.808 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.499 -8.382 -3.987 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.735 -7.174 -5.048 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.320 -8.896 -5.218 1.00 0.00 H new ATOM 1322 N GLU A 88 6.040 -10.784 -6.169 1.00 0.00 N ATOM 1323 CA GLU A 88 6.494 -12.169 -6.086 1.00 0.00 C ATOM 1324 C GLU A 88 7.832 -12.343 -6.799 1.00 0.00 C ATOM 1325 O GLU A 88 8.713 -13.052 -6.315 1.00 0.00 O ATOM 1326 CB GLU A 88 5.449 -13.099 -6.710 1.00 0.00 C ATOM 1327 CG GLU A 88 5.365 -12.851 -8.221 1.00 0.00 C ATOM 1328 CD GLU A 88 4.049 -13.394 -8.770 1.00 0.00 C ATOM 1329 OE1 GLU A 88 3.018 -12.826 -8.451 1.00 0.00 O ATOM 1330 OE2 GLU A 88 4.092 -14.371 -9.499 1.00 0.00 O ATOM 0 H GLU A 88 5.066 -10.672 -6.449 1.00 0.00 H new ATOM 0 HA GLU A 88 6.625 -12.426 -5.035 1.00 0.00 H new ATOM 0 HB2 GLU A 88 5.714 -14.139 -6.518 1.00 0.00 H new ATOM 0 HB3 GLU A 88 4.476 -12.927 -6.250 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.441 -11.783 -8.427 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.204 -13.333 -8.723 1.00 0.00 H new ATOM 1337 N VAL A 89 7.979 -11.692 -7.948 1.00 0.00 N ATOM 1338 CA VAL A 89 9.220 -11.786 -8.711 1.00 0.00 C ATOM 1339 C VAL A 89 10.330 -11.005 -8.016 1.00 0.00 C ATOM 1340 O VAL A 89 10.656 -9.886 -8.412 1.00 0.00 O ATOM 1341 CB VAL A 89 9.013 -11.234 -10.121 1.00 0.00 C ATOM 1342 CG1 VAL A 89 10.299 -11.404 -10.930 1.00 0.00 C ATOM 1343 CG2 VAL A 89 7.876 -11.997 -10.804 1.00 0.00 C ATOM 0 H VAL A 89 7.263 -11.099 -8.369 1.00 0.00 H new ATOM 0 HA VAL A 89 9.508 -12.835 -8.773 1.00 0.00 H new ATOM 0 HB VAL A 89 8.758 -10.176 -10.063 1.00 0.00 H new ATOM 0 HG11 VAL A 89 10.151 -11.010 -11.936 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.109 -10.861 -10.443 1.00 0.00 H new ATOM 0 HG13 VAL A 89 10.555 -12.462 -10.989 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.727 -11.604 -11.810 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.131 -13.055 -10.862 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.959 -11.876 -10.228 1.00 0.00 H new ATOM 1353 N ASP A 90 10.905 -11.600 -6.975 1.00 0.00 N ATOM 1354 CA ASP A 90 11.977 -10.949 -6.225 1.00 0.00 C ATOM 1355 C ASP A 90 13.339 -11.282 -6.827 1.00 0.00 C ATOM 1356 O ASP A 90 14.100 -10.388 -7.193 1.00 0.00 O ATOM 1357 CB ASP A 90 11.939 -11.403 -4.765 1.00 0.00 C ATOM 1358 CG ASP A 90 12.235 -12.896 -4.673 1.00 0.00 C ATOM 1359 OD1 ASP A 90 11.346 -13.677 -4.973 1.00 0.00 O ATOM 1360 OD2 ASP A 90 13.346 -13.237 -4.303 1.00 0.00 O ATOM 0 H ASP A 90 10.649 -12.526 -6.632 1.00 0.00 H new ATOM 0 HA ASP A 90 11.826 -9.871 -6.278 1.00 0.00 H new ATOM 0 HB2 ASP A 90 12.670 -10.843 -4.183 1.00 0.00 H new ATOM 0 HB3 ASP A 90 10.960 -11.191 -4.335 1.00 0.00 H new ATOM 1365 N SER A 91 13.639 -12.572 -6.923 1.00 0.00 N ATOM 1366 CA SER A 91 14.915 -13.010 -7.480 1.00 0.00 C ATOM 1367 C SER A 91 14.953 -12.776 -8.986 1.00 0.00 C ATOM 1368 O SER A 91 13.926 -12.511 -9.610 1.00 0.00 O ATOM 1369 CB SER A 91 15.133 -14.494 -7.182 1.00 0.00 C ATOM 1370 OG SER A 91 14.162 -15.261 -7.883 1.00 0.00 O ATOM 0 H SER A 91 13.022 -13.328 -6.625 1.00 0.00 H new ATOM 0 HA SER A 91 15.711 -12.428 -7.017 1.00 0.00 H new ATOM 0 HB2 SER A 91 16.137 -14.794 -7.483 1.00 0.00 H new ATOM 0 HB3 SER A 91 15.054 -14.677 -6.110 1.00 0.00 H new ATOM 0 HG SER A 91 14.300 -16.213 -7.696 1.00 0.00 H new ATOM 1376 N LEU A 92 16.144 -12.878 -9.566 1.00 0.00 N ATOM 1377 CA LEU A 92 16.305 -12.676 -11.001 1.00 0.00 C ATOM 1378 C LEU A 92 15.676 -13.848 -11.764 1.00 0.00 C ATOM 1379 O LEU A 92 15.641 -14.967 -11.255 1.00 0.00 O ATOM 1380 CB LEU A 92 17.796 -12.576 -11.351 1.00 0.00 C ATOM 1381 CG LEU A 92 18.387 -11.232 -10.877 1.00 0.00 C ATOM 1382 CD1 LEU A 92 17.756 -10.057 -11.647 1.00 0.00 C ATOM 1383 CD2 LEU A 92 18.147 -11.056 -9.370 1.00 0.00 C ATOM 0 H LEU A 92 17.007 -13.098 -9.068 1.00 0.00 H new ATOM 0 HA LEU A 92 15.806 -11.750 -11.287 1.00 0.00 H new ATOM 0 HB2 LEU A 92 18.338 -13.400 -10.886 1.00 0.00 H new ATOM 0 HB3 LEU A 92 17.928 -12.675 -12.428 1.00 0.00 H new ATOM 0 HG LEU A 92 19.459 -11.239 -11.073 1.00 0.00 H new ATOM 0 HD11 LEU A 92 18.187 -9.119 -11.297 1.00 0.00 H new ATOM 0 HD12 LEU A 92 17.954 -10.172 -12.713 1.00 0.00 H new ATOM 0 HD13 LEU A 92 16.679 -10.047 -11.477 1.00 0.00 H new ATOM 0 HD21 LEU A 92 18.567 -10.105 -9.043 1.00 0.00 H new ATOM 0 HD22 LEU A 92 17.076 -11.068 -9.168 1.00 0.00 H new ATOM 0 HD23 LEU A 92 18.627 -11.870 -8.828 1.00 0.00 H new ATOM 1395 N PRO A 93 15.181 -13.628 -12.963 1.00 0.00 N ATOM 1396 CA PRO A 93 14.552 -14.714 -13.775 1.00 0.00 C ATOM 1397 C PRO A 93 15.596 -15.667 -14.357 1.00 0.00 C ATOM 1398 O PRO A 93 15.378 -16.877 -14.421 1.00 0.00 O ATOM 1399 CB PRO A 93 13.818 -13.947 -14.883 1.00 0.00 C ATOM 1400 CG PRO A 93 14.619 -12.701 -15.070 1.00 0.00 C ATOM 1401 CD PRO A 93 15.160 -12.336 -13.683 1.00 0.00 C ATOM 0 HA PRO A 93 13.892 -15.350 -13.185 1.00 0.00 H new ATOM 0 HB2 PRO A 93 13.769 -14.529 -15.803 1.00 0.00 H new ATOM 0 HB3 PRO A 93 12.792 -13.719 -14.595 1.00 0.00 H new ATOM 0 HG2 PRO A 93 15.433 -12.863 -15.776 1.00 0.00 H new ATOM 0 HG3 PRO A 93 14.002 -11.897 -15.473 1.00 0.00 H new ATOM 0 HD2 PRO A 93 16.155 -11.896 -13.745 1.00 0.00 H new ATOM 0 HD3 PRO A 93 14.520 -11.609 -13.182 1.00 0.00 H new ATOM 1409 N GLN A 94 16.728 -15.111 -14.777 1.00 0.00 N ATOM 1410 CA GLN A 94 17.798 -15.920 -15.349 1.00 0.00 C ATOM 1411 C GLN A 94 18.370 -16.868 -14.289 1.00 0.00 C ATOM 1412 O GLN A 94 18.331 -16.561 -13.098 1.00 0.00 O ATOM 1413 CB GLN A 94 18.907 -15.001 -15.883 1.00 0.00 C ATOM 1414 CG GLN A 94 19.104 -13.826 -14.920 1.00 0.00 C ATOM 1415 CD GLN A 94 20.435 -13.135 -15.203 1.00 0.00 C ATOM 1416 OE1 GLN A 94 20.851 -13.037 -16.357 1.00 0.00 O ATOM 1417 NE2 GLN A 94 21.130 -12.649 -14.212 1.00 0.00 N ATOM 0 H GLN A 94 16.927 -14.112 -14.733 1.00 0.00 H new ATOM 0 HA GLN A 94 17.396 -16.515 -16.169 1.00 0.00 H new ATOM 0 HB2 GLN A 94 19.837 -15.559 -15.988 1.00 0.00 H new ATOM 0 HB3 GLN A 94 18.643 -14.632 -16.874 1.00 0.00 H new ATOM 0 HG2 GLN A 94 18.285 -13.115 -15.029 1.00 0.00 H new ATOM 0 HG3 GLN A 94 19.082 -14.182 -13.890 1.00 0.00 H new ATOM 0 HE21 GLN A 94 20.783 -12.732 -13.257 1.00 0.00 H new ATOM 0 HE22 GLN A 94 22.021 -12.186 -14.392 1.00 0.00 H new ATOM 1426 N PRO A 95 18.898 -18.003 -14.689 1.00 0.00 N ATOM 1427 CA PRO A 95 19.484 -18.991 -13.732 1.00 0.00 C ATOM 1428 C PRO A 95 20.806 -18.500 -13.142 1.00 0.00 C ATOM 1429 O PRO A 95 21.750 -18.197 -13.872 1.00 0.00 O ATOM 1430 CB PRO A 95 19.686 -20.246 -14.593 1.00 0.00 C ATOM 1431 CG PRO A 95 19.877 -19.726 -15.980 1.00 0.00 C ATOM 1432 CD PRO A 95 19.000 -18.475 -16.084 1.00 0.00 C ATOM 0 HA PRO A 95 18.843 -19.166 -12.868 1.00 0.00 H new ATOM 0 HB2 PRO A 95 20.552 -20.819 -14.262 1.00 0.00 H new ATOM 0 HB3 PRO A 95 18.824 -20.910 -14.534 1.00 0.00 H new ATOM 0 HG2 PRO A 95 20.924 -19.486 -16.166 1.00 0.00 H new ATOM 0 HG3 PRO A 95 19.584 -20.471 -16.720 1.00 0.00 H new ATOM 0 HD2 PRO A 95 19.452 -17.722 -16.730 1.00 0.00 H new ATOM 0 HD3 PRO A 95 18.020 -18.706 -16.501 1.00 0.00 H new ATOM 1440 N VAL A 96 20.864 -18.424 -11.815 1.00 0.00 N ATOM 1441 CA VAL A 96 22.073 -17.969 -11.134 1.00 0.00 C ATOM 1442 C VAL A 96 23.093 -19.098 -11.041 1.00 0.00 C ATOM 1443 O VAL A 96 24.029 -19.090 -11.824 1.00 0.00 O ATOM 1444 CB VAL A 96 21.725 -17.478 -9.728 1.00 0.00 C ATOM 1445 CG1 VAL A 96 22.978 -16.913 -9.059 1.00 0.00 C ATOM 1446 CG2 VAL A 96 20.660 -16.384 -9.821 1.00 0.00 C ATOM 1447 OXT VAL A 96 22.926 -19.953 -10.188 1.00 0.00 O ATOM 0 H VAL A 96 20.094 -18.670 -11.193 1.00 0.00 H new ATOM 0 HA VAL A 96 22.505 -17.150 -11.709 1.00 0.00 H new ATOM 0 HB VAL A 96 21.343 -18.310 -9.137 1.00 0.00 H new ATOM 0 HG11 VAL A 96 22.729 -16.563 -8.057 1.00 0.00 H new ATOM 0 HG12 VAL A 96 23.738 -17.692 -8.993 1.00 0.00 H new ATOM 0 HG13 VAL A 96 23.362 -16.081 -9.649 1.00 0.00 H new ATOM 0 HG21 VAL A 96 20.411 -16.033 -8.820 1.00 0.00 H new ATOM 0 HG22 VAL A 96 21.043 -15.552 -10.412 1.00 0.00 H new ATOM 0 HG23 VAL A 96 19.766 -16.786 -10.297 1.00 0.00 H new TER 1457 VAL A 96