USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 742 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 46 HIS :FLIP no HE2:sc= 0.0164 F(o=-1.5,f=0.68) USER MOD Set 1.2: A 48 CYS SG : rot 5:sc= 0.667 USER MOD Set 2.1: A 14 SER OG : rot 180:sc= -0.374 USER MOD Set 2.2: A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 4 MET CE :methyl -160:sc= -0.121 (180deg=-0.635) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.396 K(o=-0.4,f=-1.9!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.2 USER MOD Single : A 23 LYS NZ :NH3+ 166:sc= -0.0466 (180deg=-0.263) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot -112:sc= -4.7! USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -178:sc= 0 (180deg=-0.0135) USER MOD Single : A 56 SER OG : rot 180:sc= -0.261 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 24:sc= -1.77 USER MOD Single : A 66 GLN :FLIP amide:sc= 0 F(o=-1!,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -1.76! C(o=-1.8!,f=-5.2!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0616 USER MOD Single : A 79 LYS NZ :NH3+ -140:sc= -3.04! (180deg=-5.82!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -102:sc= -2.67! USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 168:sc= -0.0232 (180deg=-0.236) USER MOD Single : A 94 LYS NZ :NH3+ 165:sc= -0.0431 (180deg=-0.275) USER MOD Single : A 97 LYS NZ :NH3+ 166:sc= -0.0272 (180deg=-0.276) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 3 -23.380 1.041 2.087 1.00 0.00 N ATOM 2 CA HIS A 3 -23.606 1.572 0.718 1.00 0.00 C ATOM 3 C HIS A 3 -22.405 2.388 0.248 1.00 0.00 C ATOM 4 O HIS A 3 -21.955 2.251 -0.890 1.00 0.00 O ATOM 5 CB HIS A 3 -24.866 2.442 0.737 1.00 0.00 C ATOM 6 CG HIS A 3 -25.318 2.894 -0.621 1.00 0.00 C ATOM 7 ND1 HIS A 3 -26.388 3.745 -0.810 1.00 0.00 N ATOM 8 CD2 HIS A 3 -24.847 2.606 -1.859 1.00 0.00 C ATOM 9 CE1 HIS A 3 -26.556 3.959 -2.103 1.00 0.00 C ATOM 10 NE2 HIS A 3 -25.634 3.280 -2.762 1.00 0.00 N ATOM 0 HA HIS A 3 -23.735 0.743 0.022 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -25.674 1.883 1.210 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -24.680 3.319 1.357 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -24.009 1.966 -2.092 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -27.318 4.583 -2.546 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -25.524 3.259 -3.776 1.00 0.00 H new ATOM 21 N MET A 4 -21.893 3.238 1.134 1.00 0.00 N ATOM 22 CA MET A 4 -20.745 4.080 0.815 1.00 0.00 C ATOM 23 C MET A 4 -19.551 3.233 0.386 1.00 0.00 C ATOM 24 O MET A 4 -19.275 2.186 0.974 1.00 0.00 O ATOM 25 CB MET A 4 -20.368 4.937 2.024 1.00 0.00 C ATOM 26 CG MET A 4 -21.494 5.839 2.503 1.00 0.00 C ATOM 27 SD MET A 4 -21.999 7.044 1.259 1.00 0.00 S ATOM 28 CE MET A 4 -20.489 7.988 1.066 1.00 0.00 C ATOM 0 H MET A 4 -22.256 3.362 2.079 1.00 0.00 H new ATOM 0 HA MET A 4 -21.021 4.731 -0.014 1.00 0.00 H new ATOM 0 HB2 MET A 4 -20.064 4.284 2.842 1.00 0.00 H new ATOM 0 HB3 MET A 4 -19.505 5.551 1.769 1.00 0.00 H new ATOM 0 HG2 MET A 4 -22.352 5.226 2.779 1.00 0.00 H new ATOM 0 HG3 MET A 4 -21.175 6.364 3.403 1.00 0.00 H new ATOM 0 HE1 MET A 4 -20.720 8.957 0.623 1.00 0.00 H new ATOM 0 HE2 MET A 4 -20.025 8.136 2.041 1.00 0.00 H new ATOM 0 HE3 MET A 4 -19.802 7.446 0.416 1.00 0.00 H new ATOM 38 N ARG A 5 -18.847 3.691 -0.646 1.00 0.00 N ATOM 39 CA ARG A 5 -17.684 2.975 -1.161 1.00 0.00 C ATOM 40 C ARG A 5 -16.626 3.953 -1.666 1.00 0.00 C ATOM 41 O ARG A 5 -16.061 3.775 -2.746 1.00 0.00 O ATOM 42 CB ARG A 5 -18.101 2.027 -2.285 1.00 0.00 C ATOM 43 CG ARG A 5 -19.060 0.938 -1.833 1.00 0.00 C ATOM 44 CD ARG A 5 -19.426 0.011 -2.976 1.00 0.00 C ATOM 45 NE ARG A 5 -20.364 -1.029 -2.559 1.00 0.00 N ATOM 46 CZ ARG A 5 -20.874 -1.938 -3.386 1.00 0.00 C ATOM 47 NH1 ARG A 5 -20.541 -1.933 -4.670 1.00 0.00 N ATOM 48 NH2 ARG A 5 -21.717 -2.853 -2.927 1.00 0.00 N ATOM 0 H ARG A 5 -19.062 4.556 -1.142 1.00 0.00 H new ATOM 0 HA ARG A 5 -17.254 2.392 -0.347 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -18.569 2.605 -3.082 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -17.210 1.563 -2.708 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -18.605 0.362 -1.027 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -19.964 1.393 -1.428 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -19.866 0.592 -3.787 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -18.522 -0.453 -3.370 1.00 0.00 H new ATOM 0 HE ARG A 5 -20.644 -1.060 -1.579 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -19.892 -1.231 -5.026 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -20.934 -2.631 -5.301 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -21.974 -2.860 -1.940 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -22.108 -3.550 -3.561 1.00 0.00 H new ATOM 62 N GLN A 6 -16.365 4.988 -0.871 1.00 0.00 N ATOM 63 CA GLN A 6 -15.377 6.002 -1.224 1.00 0.00 C ATOM 64 C GLN A 6 -13.990 5.387 -1.393 1.00 0.00 C ATOM 65 O GLN A 6 -13.634 4.439 -0.691 1.00 0.00 O ATOM 66 CB GLN A 6 -15.336 7.094 -0.155 1.00 0.00 C ATOM 67 CG GLN A 6 -16.656 7.831 0.013 1.00 0.00 C ATOM 68 CD GLN A 6 -16.584 8.926 1.059 1.00 0.00 C ATOM 69 OE1 GLN A 6 -16.317 8.664 2.233 1.00 0.00 O ATOM 70 NE2 GLN A 6 -16.821 10.163 0.638 1.00 0.00 N ATOM 0 H GLN A 6 -16.826 5.146 0.025 1.00 0.00 H new ATOM 0 HA GLN A 6 -15.673 6.442 -2.176 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -15.055 6.647 0.799 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.558 7.813 -0.412 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -16.949 8.265 -0.943 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -17.433 7.119 0.291 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -17.038 10.335 -0.344 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -16.786 10.941 1.296 1.00 0.00 H new ATOM 79 N PRO A 7 -13.184 5.920 -2.331 1.00 0.00 N ATOM 80 CA PRO A 7 -11.829 5.418 -2.588 1.00 0.00 C ATOM 81 C PRO A 7 -10.971 5.394 -1.325 1.00 0.00 C ATOM 82 O PRO A 7 -11.047 6.305 -0.500 1.00 0.00 O ATOM 83 CB PRO A 7 -11.255 6.417 -3.596 1.00 0.00 C ATOM 84 CG PRO A 7 -12.444 7.029 -4.252 1.00 0.00 C ATOM 85 CD PRO A 7 -13.528 7.054 -3.210 1.00 0.00 C ATOM 0 HA PRO A 7 -11.843 4.390 -2.949 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.646 7.172 -3.100 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -10.615 5.919 -4.324 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -12.219 8.035 -4.605 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.752 6.448 -5.121 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -13.538 7.997 -2.664 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -14.516 6.932 -3.655 1.00 0.00 H new ATOM 93 N PRO A 8 -10.140 4.349 -1.156 1.00 0.00 N ATOM 94 CA PRO A 8 -9.267 4.217 0.016 1.00 0.00 C ATOM 95 C PRO A 8 -8.350 5.422 0.188 1.00 0.00 C ATOM 96 O PRO A 8 -7.793 5.933 -0.785 1.00 0.00 O ATOM 97 CB PRO A 8 -8.443 2.961 -0.287 1.00 0.00 C ATOM 98 CG PRO A 8 -9.263 2.192 -1.262 1.00 0.00 C ATOM 99 CD PRO A 8 -9.984 3.217 -2.089 1.00 0.00 C ATOM 0 HA PRO A 8 -9.838 4.153 0.942 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.470 3.218 -0.705 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.258 2.382 0.618 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.634 1.557 -1.887 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.968 1.537 -0.750 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.411 3.498 -2.972 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -10.948 2.847 -2.439 1.00 0.00 H new ATOM 107 N LEU A 9 -8.197 5.872 1.428 1.00 0.00 N ATOM 108 CA LEU A 9 -7.345 7.017 1.723 1.00 0.00 C ATOM 109 C LEU A 9 -6.394 6.682 2.869 1.00 0.00 C ATOM 110 O LEU A 9 -6.822 6.481 4.006 1.00 0.00 O ATOM 111 CB LEU A 9 -8.211 8.232 2.085 1.00 0.00 C ATOM 112 CG LEU A 9 -7.552 9.605 1.897 1.00 0.00 C ATOM 113 CD1 LEU A 9 -8.555 10.713 2.180 1.00 0.00 C ATOM 114 CD2 LEU A 9 -6.334 9.757 2.795 1.00 0.00 C ATOM 0 H LEU A 9 -8.651 5.462 2.244 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.753 7.258 0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.118 8.200 1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.518 8.138 3.127 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.220 9.681 0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.075 11.682 2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.397 10.625 1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.912 10.627 3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.888 10.739 2.640 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.636 9.656 3.838 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.604 8.985 2.552 1.00 0.00 H new ATOM 126 N VAL A 10 -5.102 6.620 2.560 1.00 0.00 N ATOM 127 CA VAL A 10 -4.085 6.306 3.558 1.00 0.00 C ATOM 128 C VAL A 10 -3.719 7.534 4.386 1.00 0.00 C ATOM 129 O VAL A 10 -3.530 8.625 3.847 1.00 0.00 O ATOM 130 CB VAL A 10 -2.817 5.731 2.894 1.00 0.00 C ATOM 131 CG1 VAL A 10 -1.730 5.470 3.925 1.00 0.00 C ATOM 132 CG2 VAL A 10 -3.154 4.457 2.133 1.00 0.00 C ATOM 0 H VAL A 10 -4.734 6.784 1.623 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.509 5.553 4.223 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.436 6.469 2.188 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.848 5.065 3.429 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.470 6.404 4.423 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.092 4.754 4.663 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.251 4.061 1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.562 3.718 2.823 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.891 4.678 1.361 1.00 0.00 H new ATOM 142 N THR A 11 -3.617 7.346 5.700 1.00 0.00 N ATOM 143 CA THR A 11 -3.273 8.432 6.613 1.00 0.00 C ATOM 144 C THR A 11 -2.453 7.913 7.790 1.00 0.00 C ATOM 145 O THR A 11 -2.682 8.300 8.937 1.00 0.00 O ATOM 146 CB THR A 11 -4.534 9.128 7.165 1.00 0.00 C ATOM 147 OG1 THR A 11 -5.325 8.191 7.904 1.00 0.00 O ATOM 148 CG2 THR A 11 -5.371 9.725 6.044 1.00 0.00 C ATOM 0 H THR A 11 -3.769 6.447 6.157 1.00 0.00 H new ATOM 0 HA THR A 11 -2.687 9.151 6.040 1.00 0.00 H new ATOM 0 HB THR A 11 -4.211 9.936 7.821 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.123 8.640 8.253 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.252 10.208 6.466 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.779 10.461 5.500 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.682 8.934 5.362 1.00 0.00 H new ATOM 156 N GLY A 12 -1.501 7.033 7.501 1.00 0.00 N ATOM 157 CA GLY A 12 -0.668 6.475 8.550 1.00 0.00 C ATOM 158 C GLY A 12 0.328 5.458 8.029 1.00 0.00 C ATOM 159 O GLY A 12 0.032 4.705 7.102 1.00 0.00 O ATOM 0 H GLY A 12 -1.291 6.697 6.561 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.130 7.281 9.048 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.303 6.004 9.300 1.00 0.00 H new ATOM 163 N ILE A 13 1.512 5.435 8.633 1.00 0.00 N ATOM 164 CA ILE A 13 2.562 4.503 8.237 1.00 0.00 C ATOM 165 C ILE A 13 3.625 4.397 9.326 1.00 0.00 C ATOM 166 O ILE A 13 4.119 5.407 9.827 1.00 0.00 O ATOM 167 CB ILE A 13 3.226 4.933 6.910 1.00 0.00 C ATOM 168 CG1 ILE A 13 4.312 3.931 6.502 1.00 0.00 C ATOM 169 CG2 ILE A 13 3.811 6.334 7.034 1.00 0.00 C ATOM 170 CD1 ILE A 13 4.885 4.187 5.124 1.00 0.00 C ATOM 0 H ILE A 13 1.769 6.054 9.402 1.00 0.00 H new ATOM 0 HA ILE A 13 2.095 3.529 8.092 1.00 0.00 H new ATOM 0 HB ILE A 13 2.462 4.947 6.133 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.119 3.964 7.234 1.00 0.00 H new ATOM 0 HG13 ILE A 13 3.896 2.924 6.532 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.274 6.620 6.090 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.017 7.040 7.277 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.561 6.346 7.825 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.647 3.440 4.902 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.089 4.125 4.382 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.332 5.181 5.095 1.00 0.00 H new ATOM 182 N SER A 14 3.963 3.166 9.700 1.00 0.00 N ATOM 183 CA SER A 14 4.958 2.940 10.740 1.00 0.00 C ATOM 184 C SER A 14 6.342 3.421 10.292 1.00 0.00 C ATOM 185 O SER A 14 6.932 4.288 10.939 1.00 0.00 O ATOM 186 CB SER A 14 4.994 1.459 11.135 1.00 0.00 C ATOM 187 OG SER A 14 3.733 1.031 11.622 1.00 0.00 O ATOM 0 H SER A 14 3.565 2.316 9.301 1.00 0.00 H new ATOM 0 HA SER A 14 4.673 3.522 11.616 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.278 0.856 10.273 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.755 1.301 11.899 1.00 0.00 H new ATOM 0 HG SER A 14 3.781 0.083 11.866 1.00 0.00 H new ATOM 193 N PRO A 15 6.890 2.882 9.179 1.00 0.00 N ATOM 194 CA PRO A 15 8.194 3.281 8.677 1.00 0.00 C ATOM 195 C PRO A 15 8.100 4.360 7.600 1.00 0.00 C ATOM 196 O PRO A 15 7.490 4.149 6.553 1.00 0.00 O ATOM 197 CB PRO A 15 8.715 1.976 8.085 1.00 0.00 C ATOM 198 CG PRO A 15 7.494 1.258 7.591 1.00 0.00 C ATOM 199 CD PRO A 15 6.299 1.844 8.317 1.00 0.00 C ATOM 0 HA PRO A 15 8.830 3.718 9.447 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.418 2.164 7.273 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.244 1.386 8.834 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.386 1.381 6.513 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.573 0.188 7.784 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.575 2.266 7.620 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.775 1.088 8.902 1.00 0.00 H new ATOM 207 N ASN A 16 8.712 5.511 7.858 1.00 0.00 N ATOM 208 CA ASN A 16 8.695 6.612 6.899 1.00 0.00 C ATOM 209 C ASN A 16 9.920 6.562 5.992 1.00 0.00 C ATOM 210 O ASN A 16 10.298 7.568 5.390 1.00 0.00 O ATOM 211 CB ASN A 16 8.636 7.953 7.632 1.00 0.00 C ATOM 212 CG ASN A 16 9.787 8.136 8.602 1.00 0.00 C ATOM 213 OD1 ASN A 16 10.953 8.140 8.207 1.00 0.00 O ATOM 214 ND2 ASN A 16 9.463 8.288 9.880 1.00 0.00 N ATOM 0 H ASN A 16 9.224 5.706 8.718 1.00 0.00 H new ATOM 0 HA ASN A 16 7.805 6.509 6.278 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.648 8.763 6.903 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.693 8.026 8.174 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.194 8.415 10.580 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.483 8.278 10.162 1.00 0.00 H new ATOM 221 N GLU A 17 10.529 5.381 5.895 1.00 0.00 N ATOM 222 CA GLU A 17 11.713 5.183 5.061 1.00 0.00 C ATOM 223 C GLU A 17 12.213 3.746 5.169 1.00 0.00 C ATOM 224 O GLU A 17 12.287 3.187 6.264 1.00 0.00 O ATOM 225 CB GLU A 17 12.829 6.152 5.467 1.00 0.00 C ATOM 226 CG GLU A 17 13.263 6.006 6.917 1.00 0.00 C ATOM 227 CD GLU A 17 14.367 6.975 7.296 1.00 0.00 C ATOM 228 OE1 GLU A 17 14.140 8.199 7.201 1.00 0.00 O ATOM 229 OE2 GLU A 17 15.457 6.508 7.688 1.00 0.00 O ATOM 0 H GLU A 17 10.220 4.543 6.387 1.00 0.00 H new ATOM 0 HA GLU A 17 11.432 5.382 4.027 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.692 5.991 4.820 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.490 7.174 5.299 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.404 6.168 7.568 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.605 4.986 7.089 1.00 0.00 H new ATOM 236 N GLY A 18 12.551 3.149 4.031 1.00 0.00 N ATOM 237 CA GLY A 18 13.035 1.782 4.033 1.00 0.00 C ATOM 238 C GLY A 18 13.080 1.169 2.647 1.00 0.00 C ATOM 239 O GLY A 18 12.228 1.455 1.807 1.00 0.00 O ATOM 0 H GLY A 18 12.499 3.586 3.111 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.034 1.756 4.468 1.00 0.00 H new ATOM 0 HA3 GLY A 18 12.393 1.176 4.672 1.00 0.00 H new ATOM 243 N ILE A 19 14.075 0.319 2.415 1.00 0.00 N ATOM 244 CA ILE A 19 14.230 -0.349 1.128 1.00 0.00 C ATOM 245 C ILE A 19 12.951 -1.097 0.749 1.00 0.00 C ATOM 246 O ILE A 19 12.120 -1.383 1.611 1.00 0.00 O ATOM 247 CB ILE A 19 15.414 -1.339 1.148 1.00 0.00 C ATOM 248 CG1 ILE A 19 15.198 -2.406 2.225 1.00 0.00 C ATOM 249 CG2 ILE A 19 16.722 -0.593 1.381 1.00 0.00 C ATOM 250 CD1 ILE A 19 16.296 -3.446 2.280 1.00 0.00 C ATOM 0 H ILE A 19 14.788 0.076 3.103 1.00 0.00 H new ATOM 0 HA ILE A 19 14.431 0.423 0.385 1.00 0.00 H new ATOM 0 HB ILE A 19 15.471 -1.837 0.180 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.123 -1.918 3.197 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.246 -2.905 2.044 1.00 0.00 H new ATOM 0 HG21 ILE A 19 17.549 -1.303 1.393 1.00 0.00 H new ATOM 0 HG22 ILE A 19 16.876 0.130 0.580 1.00 0.00 H new ATOM 0 HG23 ILE A 19 16.678 -0.071 2.337 1.00 0.00 H new ATOM 0 HD11 ILE A 19 16.074 -4.168 3.066 1.00 0.00 H new ATOM 0 HD12 ILE A 19 16.358 -3.961 1.321 1.00 0.00 H new ATOM 0 HD13 ILE A 19 17.248 -2.959 2.492 1.00 0.00 H new ATOM 262 N PRO A 20 12.761 -1.411 -0.546 1.00 0.00 N ATOM 263 CA PRO A 20 11.564 -2.116 -1.021 1.00 0.00 C ATOM 264 C PRO A 20 11.231 -3.358 -0.193 1.00 0.00 C ATOM 265 O PRO A 20 10.065 -3.641 0.078 1.00 0.00 O ATOM 266 CB PRO A 20 11.935 -2.513 -2.451 1.00 0.00 C ATOM 267 CG PRO A 20 12.918 -1.481 -2.885 1.00 0.00 C ATOM 268 CD PRO A 20 13.688 -1.092 -1.653 1.00 0.00 C ATOM 0 HA PRO A 20 10.675 -1.490 -0.947 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.369 -3.512 -2.485 1.00 0.00 H new ATOM 0 HB3 PRO A 20 11.059 -2.523 -3.099 1.00 0.00 H new ATOM 0 HG2 PRO A 20 13.584 -1.876 -3.652 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.411 -0.618 -3.316 1.00 0.00 H new ATOM 0 HD2 PRO A 20 14.619 -1.652 -1.569 1.00 0.00 H new ATOM 0 HD3 PRO A 20 13.952 -0.034 -1.663 1.00 0.00 H new ATOM 276 N TRP A 21 12.255 -4.104 0.197 1.00 0.00 N ATOM 277 CA TRP A 21 12.056 -5.320 0.979 1.00 0.00 C ATOM 278 C TRP A 21 11.585 -5.016 2.401 1.00 0.00 C ATOM 279 O TRP A 21 11.010 -5.879 3.066 1.00 0.00 O ATOM 280 CB TRP A 21 13.341 -6.149 1.012 1.00 0.00 C ATOM 281 CG TRP A 21 13.794 -6.581 -0.349 1.00 0.00 C ATOM 282 CD1 TRP A 21 14.985 -6.288 -0.949 1.00 0.00 C ATOM 283 CD2 TRP A 21 13.055 -7.371 -1.287 1.00 0.00 C ATOM 284 NE1 TRP A 21 15.036 -6.857 -2.199 1.00 0.00 N ATOM 285 CE2 TRP A 21 13.861 -7.526 -2.430 1.00 0.00 C ATOM 286 CE3 TRP A 21 11.790 -7.966 -1.270 1.00 0.00 C ATOM 287 CZ2 TRP A 21 13.443 -8.249 -3.545 1.00 0.00 C ATOM 288 CZ3 TRP A 21 11.376 -8.684 -2.377 1.00 0.00 C ATOM 289 CH2 TRP A 21 12.201 -8.821 -3.500 1.00 0.00 C ATOM 0 H TRP A 21 13.230 -3.891 -0.014 1.00 0.00 H new ATOM 0 HA TRP A 21 11.270 -5.896 0.490 1.00 0.00 H new ATOM 0 HB2 TRP A 21 14.131 -5.565 1.484 1.00 0.00 H new ATOM 0 HB3 TRP A 21 13.182 -7.031 1.633 1.00 0.00 H new ATOM 0 HD1 TRP A 21 15.772 -5.696 -0.506 1.00 0.00 H new ATOM 0 HE1 TRP A 21 15.820 -6.792 -2.849 1.00 0.00 H new ATOM 0 HE3 TRP A 21 11.147 -7.867 -0.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 14.076 -8.354 -4.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 10.400 -9.147 -2.375 1.00 0.00 H new ATOM 0 HH2 TRP A 21 11.850 -9.390 -4.348 1.00 0.00 H new ATOM 300 N THR A 22 11.833 -3.796 2.867 1.00 0.00 N ATOM 301 CA THR A 22 11.434 -3.400 4.217 1.00 0.00 C ATOM 302 C THR A 22 9.922 -3.487 4.400 1.00 0.00 C ATOM 303 O THR A 22 9.156 -2.958 3.595 1.00 0.00 O ATOM 304 CB THR A 22 11.894 -1.966 4.548 1.00 0.00 C ATOM 305 OG1 THR A 22 13.321 -1.877 4.463 1.00 0.00 O ATOM 306 CG2 THR A 22 11.442 -1.556 5.942 1.00 0.00 C ATOM 0 H THR A 22 12.306 -3.066 2.334 1.00 0.00 H new ATOM 0 HA THR A 22 11.920 -4.098 4.899 1.00 0.00 H new ATOM 0 HB THR A 22 11.441 -1.290 3.823 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.605 -0.963 4.673 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.780 -0.541 6.150 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.354 -1.595 5.998 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.868 -2.238 6.678 1.00 0.00 H new ATOM 314 N LYS A 23 9.504 -4.151 5.474 1.00 0.00 N ATOM 315 CA LYS A 23 8.086 -4.304 5.779 1.00 0.00 C ATOM 316 C LYS A 23 7.488 -2.970 6.212 1.00 0.00 C ATOM 317 O LYS A 23 8.125 -2.198 6.929 1.00 0.00 O ATOM 318 CB LYS A 23 7.891 -5.349 6.881 1.00 0.00 C ATOM 319 CG LYS A 23 6.430 -5.618 7.219 1.00 0.00 C ATOM 320 CD LYS A 23 5.676 -6.204 6.035 1.00 0.00 C ATOM 321 CE LYS A 23 6.241 -7.555 5.621 1.00 0.00 C ATOM 322 NZ LYS A 23 6.178 -8.546 6.729 1.00 0.00 N ATOM 0 H LYS A 23 10.129 -4.592 6.148 1.00 0.00 H new ATOM 0 HA LYS A 23 7.573 -4.641 4.878 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.361 -6.283 6.571 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.407 -5.015 7.781 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.373 -6.305 8.063 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.952 -4.689 7.531 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.623 -6.314 6.293 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.728 -5.514 5.193 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.685 -7.934 4.763 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.276 -7.433 5.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.345 -9.500 6.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.906 -8.322 7.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.239 -8.509 7.175 1.00 0.00 H new ATOM 336 N VAL A 24 6.264 -2.696 5.770 1.00 0.00 N ATOM 337 CA VAL A 24 5.595 -1.449 6.115 1.00 0.00 C ATOM 338 C VAL A 24 4.134 -1.688 6.487 1.00 0.00 C ATOM 339 O VAL A 24 3.412 -2.402 5.790 1.00 0.00 O ATOM 340 CB VAL A 24 5.666 -0.432 4.955 1.00 0.00 C ATOM 341 CG1 VAL A 24 7.111 -0.182 4.555 1.00 0.00 C ATOM 342 CG2 VAL A 24 4.854 -0.910 3.759 1.00 0.00 C ATOM 0 H VAL A 24 5.718 -3.319 5.175 1.00 0.00 H new ATOM 0 HA VAL A 24 6.119 -1.038 6.978 1.00 0.00 H new ATOM 0 HB VAL A 24 5.234 0.507 5.301 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.143 0.537 3.736 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.661 0.215 5.408 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.567 -1.118 4.233 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.921 -0.175 2.957 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.247 -1.865 3.410 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.811 -1.032 4.053 1.00 0.00 H new ATOM 352 N THR A 25 3.705 -1.087 7.593 1.00 0.00 N ATOM 353 CA THR A 25 2.331 -1.234 8.054 1.00 0.00 C ATOM 354 C THR A 25 1.433 -0.177 7.423 1.00 0.00 C ATOM 355 O THR A 25 1.536 1.008 7.742 1.00 0.00 O ATOM 356 CB THR A 25 2.238 -1.126 9.591 1.00 0.00 C ATOM 357 OG1 THR A 25 2.991 -2.180 10.202 1.00 0.00 O ATOM 358 CG2 THR A 25 0.787 -1.197 10.056 1.00 0.00 C ATOM 0 H THR A 25 4.289 -0.495 8.184 1.00 0.00 H new ATOM 0 HA THR A 25 1.994 -2.225 7.750 1.00 0.00 H new ATOM 0 HB THR A 25 2.651 -0.162 9.890 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.929 -2.104 11.177 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.749 -1.119 11.143 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.222 -0.377 9.613 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.351 -2.147 9.745 1.00 0.00 H new ATOM 366 N ILE A 26 0.544 -0.609 6.535 1.00 0.00 N ATOM 367 CA ILE A 26 -0.375 0.307 5.876 1.00 0.00 C ATOM 368 C ILE A 26 -1.494 0.714 6.826 1.00 0.00 C ATOM 369 O ILE A 26 -2.017 -0.113 7.573 1.00 0.00 O ATOM 370 CB ILE A 26 -0.985 -0.307 4.598 1.00 0.00 C ATOM 371 CG1 ILE A 26 0.117 -0.639 3.590 1.00 0.00 C ATOM 372 CG2 ILE A 26 -2.003 0.647 3.985 1.00 0.00 C ATOM 373 CD1 ILE A 26 -0.403 -1.226 2.294 1.00 0.00 C ATOM 0 H ILE A 26 0.442 -1.585 6.257 1.00 0.00 H new ATOM 0 HA ILE A 26 0.202 1.186 5.589 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.498 -1.231 4.865 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.680 0.268 3.368 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.813 -1.344 4.045 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.424 0.200 3.085 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.801 0.838 4.703 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.513 1.586 3.729 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.434 -1.436 1.628 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.941 -2.150 2.503 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.076 -0.514 1.817 1.00 0.00 H new ATOM 385 N ARG A 27 -1.853 1.991 6.796 1.00 0.00 N ATOM 386 CA ARG A 27 -2.907 2.502 7.661 1.00 0.00 C ATOM 387 C ARG A 27 -3.669 3.623 6.964 1.00 0.00 C ATOM 388 O ARG A 27 -3.068 4.567 6.452 1.00 0.00 O ATOM 389 CB ARG A 27 -2.306 3.018 8.971 1.00 0.00 C ATOM 390 CG ARG A 27 -3.331 3.222 10.073 1.00 0.00 C ATOM 391 CD ARG A 27 -3.820 1.891 10.624 1.00 0.00 C ATOM 392 NE ARG A 27 -2.780 1.196 11.378 1.00 0.00 N ATOM 393 CZ ARG A 27 -2.950 0.003 11.940 1.00 0.00 C ATOM 394 NH1 ARG A 27 -4.108 -0.632 11.821 1.00 0.00 N ATOM 395 NH2 ARG A 27 -1.959 -0.560 12.617 1.00 0.00 N ATOM 0 H ARG A 27 -1.431 2.689 6.184 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.600 1.690 7.881 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.550 2.313 9.316 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.798 3.963 8.780 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.891 3.812 10.877 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.176 3.791 9.686 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.683 2.060 11.268 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.155 1.259 9.801 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.873 1.651 11.479 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.872 -0.205 11.297 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.235 -1.547 12.253 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -1.065 -0.078 12.707 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -2.091 -1.475 13.048 1.00 0.00 H new ATOM 409 N GLY A 28 -4.993 3.514 6.943 1.00 0.00 N ATOM 410 CA GLY A 28 -5.808 4.527 6.298 1.00 0.00 C ATOM 411 C GLY A 28 -7.287 4.345 6.570 1.00 0.00 C ATOM 412 O GLY A 28 -7.686 4.082 7.705 1.00 0.00 O ATOM 0 H GLY A 28 -5.516 2.744 7.360 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.497 5.513 6.644 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.634 4.498 5.222 1.00 0.00 H new ATOM 416 N GLU A 29 -8.104 4.490 5.528 1.00 0.00 N ATOM 417 CA GLU A 29 -9.550 4.346 5.664 1.00 0.00 C ATOM 418 C GLU A 29 -10.173 3.795 4.383 1.00 0.00 C ATOM 419 O GLU A 29 -9.813 4.202 3.278 1.00 0.00 O ATOM 420 CB GLU A 29 -10.195 5.694 6.004 1.00 0.00 C ATOM 421 CG GLU A 29 -9.624 6.359 7.247 1.00 0.00 C ATOM 422 CD GLU A 29 -10.332 7.653 7.596 1.00 0.00 C ATOM 423 OE1 GLU A 29 -11.556 7.613 7.842 1.00 0.00 O ATOM 424 OE2 GLU A 29 -9.663 8.708 7.625 1.00 0.00 O ATOM 0 H GLU A 29 -7.789 4.707 4.582 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.735 3.641 6.475 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.073 6.368 5.156 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.266 5.548 6.143 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.698 5.671 8.089 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.564 6.560 7.092 1.00 0.00 H new ATOM 431 N ASN A 30 -11.122 2.874 4.548 1.00 0.00 N ATOM 432 CA ASN A 30 -11.826 2.262 3.421 1.00 0.00 C ATOM 433 C ASN A 30 -10.887 1.468 2.513 1.00 0.00 C ATOM 434 O ASN A 30 -11.020 1.508 1.288 1.00 0.00 O ATOM 435 CB ASN A 30 -12.559 3.331 2.608 1.00 0.00 C ATOM 436 CG ASN A 30 -13.604 4.063 3.428 1.00 0.00 C ATOM 437 OD1 ASN A 30 -14.547 3.457 3.937 1.00 0.00 O ATOM 438 ND2 ASN A 30 -13.444 5.375 3.558 1.00 0.00 N ATOM 0 H ASN A 30 -11.423 2.533 5.461 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.549 1.561 3.838 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.836 4.049 2.221 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.038 2.865 1.747 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.117 5.920 4.096 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.648 5.838 3.119 1.00 0.00 H new ATOM 445 N LEU A 31 -9.957 0.729 3.111 1.00 0.00 N ATOM 446 CA LEU A 31 -9.024 -0.091 2.340 1.00 0.00 C ATOM 447 C LEU A 31 -9.642 -1.451 2.025 1.00 0.00 C ATOM 448 O LEU A 31 -9.046 -2.494 2.296 1.00 0.00 O ATOM 449 CB LEU A 31 -7.700 -0.273 3.090 1.00 0.00 C ATOM 450 CG LEU A 31 -6.755 0.932 3.055 1.00 0.00 C ATOM 451 CD1 LEU A 31 -7.386 2.140 3.730 1.00 0.00 C ATOM 452 CD2 LEU A 31 -5.430 0.585 3.716 1.00 0.00 C ATOM 0 H LEU A 31 -9.828 0.680 4.122 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.817 0.427 1.404 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.921 -0.510 4.131 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.180 -1.134 2.671 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.569 1.187 2.012 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.694 2.981 3.691 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.309 2.405 3.213 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.608 1.901 4.770 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.769 1.451 3.683 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.605 0.301 4.754 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.965 -0.246 3.185 1.00 0.00 H new ATOM 464 N GLY A 32 -10.846 -1.429 1.461 1.00 0.00 N ATOM 465 CA GLY A 32 -11.536 -2.661 1.126 1.00 0.00 C ATOM 466 C GLY A 32 -12.123 -3.343 2.348 1.00 0.00 C ATOM 467 O GLY A 32 -11.413 -3.615 3.316 1.00 0.00 O ATOM 0 H GLY A 32 -11.357 -0.577 1.230 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.333 -2.446 0.414 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.842 -3.341 0.632 1.00 0.00 H new ATOM 471 N THR A 33 -13.424 -3.613 2.303 1.00 0.00 N ATOM 472 CA THR A 33 -14.111 -4.261 3.414 1.00 0.00 C ATOM 473 C THR A 33 -14.132 -5.778 3.250 1.00 0.00 C ATOM 474 O THR A 33 -15.135 -6.430 3.546 1.00 0.00 O ATOM 475 CB THR A 33 -15.558 -3.749 3.550 1.00 0.00 C ATOM 476 OG1 THR A 33 -16.302 -4.063 2.367 1.00 0.00 O ATOM 477 CG2 THR A 33 -15.577 -2.246 3.781 1.00 0.00 C ATOM 0 H THR A 33 -14.024 -3.393 1.508 1.00 0.00 H new ATOM 0 HA THR A 33 -13.554 -4.010 4.317 1.00 0.00 H new ATOM 0 HB THR A 33 -16.016 -4.241 4.408 1.00 0.00 H new ATOM 0 HG1 THR A 33 -17.221 -3.736 2.462 1.00 0.00 H new ATOM 0 HG21 THR A 33 -16.608 -1.905 3.874 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.033 -2.012 4.696 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.103 -1.742 2.938 1.00 0.00 H new ATOM 485 N GLY A 34 -13.023 -6.338 2.776 1.00 0.00 N ATOM 486 CA GLY A 34 -12.944 -7.775 2.583 1.00 0.00 C ATOM 487 C GLY A 34 -11.709 -8.192 1.806 1.00 0.00 C ATOM 488 O GLY A 34 -11.275 -7.477 0.902 1.00 0.00 O ATOM 0 H GLY A 34 -12.179 -5.824 2.523 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.941 -8.269 3.555 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.834 -8.116 2.054 1.00 0.00 H new ATOM 492 N PRO A 35 -11.115 -9.354 2.135 1.00 0.00 N ATOM 493 CA PRO A 35 -9.919 -9.851 1.445 1.00 0.00 C ATOM 494 C PRO A 35 -10.127 -9.945 -0.062 1.00 0.00 C ATOM 495 O PRO A 35 -9.257 -9.562 -0.846 1.00 0.00 O ATOM 496 CB PRO A 35 -9.711 -11.246 2.041 1.00 0.00 C ATOM 497 CG PRO A 35 -10.395 -11.205 3.364 1.00 0.00 C ATOM 498 CD PRO A 35 -11.563 -10.275 3.197 1.00 0.00 C ATOM 0 HA PRO A 35 -9.065 -9.187 1.580 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -10.138 -12.017 1.400 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -8.651 -11.474 2.151 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -10.727 -12.199 3.662 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -9.720 -10.848 4.142 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -12.467 -10.812 2.909 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.789 -9.743 4.121 1.00 0.00 H new ATOM 506 N THR A 36 -11.286 -10.457 -0.459 1.00 0.00 N ATOM 507 CA THR A 36 -11.622 -10.604 -1.869 1.00 0.00 C ATOM 508 C THR A 36 -11.660 -9.250 -2.571 1.00 0.00 C ATOM 509 O THR A 36 -11.255 -9.128 -3.727 1.00 0.00 O ATOM 510 CB THR A 36 -12.984 -11.300 -2.054 1.00 0.00 C ATOM 511 OG1 THR A 36 -14.024 -10.505 -1.471 1.00 0.00 O ATOM 512 CG2 THR A 36 -12.979 -12.680 -1.413 1.00 0.00 C ATOM 0 H THR A 36 -12.012 -10.779 0.181 1.00 0.00 H new ATOM 0 HA THR A 36 -10.842 -11.221 -2.315 1.00 0.00 H new ATOM 0 HB THR A 36 -13.166 -11.412 -3.123 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.887 -10.953 -1.594 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.951 -13.151 -1.557 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.206 -13.293 -1.876 1.00 0.00 H new ATOM 0 HG23 THR A 36 -12.776 -12.585 -0.346 1.00 0.00 H new ATOM 520 N ASP A 37 -12.155 -8.238 -1.864 1.00 0.00 N ATOM 521 CA ASP A 37 -12.259 -6.890 -2.415 1.00 0.00 C ATOM 522 C ASP A 37 -10.901 -6.371 -2.884 1.00 0.00 C ATOM 523 O ASP A 37 -10.793 -5.783 -3.959 1.00 0.00 O ATOM 524 CB ASP A 37 -12.845 -5.937 -1.372 1.00 0.00 C ATOM 525 CG ASP A 37 -14.241 -6.340 -0.934 1.00 0.00 C ATOM 526 OD1 ASP A 37 -14.757 -7.356 -1.446 1.00 0.00 O ATOM 527 OD2 ASP A 37 -14.820 -5.638 -0.078 1.00 0.00 O ATOM 0 H ASP A 37 -12.491 -8.326 -0.905 1.00 0.00 H new ATOM 0 HA ASP A 37 -12.922 -6.935 -3.279 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -12.189 -5.908 -0.502 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.874 -4.928 -1.783 1.00 0.00 H new ATOM 532 N LEU A 38 -9.871 -6.586 -2.069 1.00 0.00 N ATOM 533 CA LEU A 38 -8.520 -6.134 -2.397 1.00 0.00 C ATOM 534 C LEU A 38 -7.905 -7.012 -3.489 1.00 0.00 C ATOM 535 O LEU A 38 -6.956 -7.756 -3.240 1.00 0.00 O ATOM 536 CB LEU A 38 -7.636 -6.156 -1.146 1.00 0.00 C ATOM 537 CG LEU A 38 -6.518 -5.105 -1.105 1.00 0.00 C ATOM 538 CD1 LEU A 38 -5.674 -5.281 0.146 1.00 0.00 C ATOM 539 CD2 LEU A 38 -5.644 -5.178 -2.349 1.00 0.00 C ATOM 0 H LEU A 38 -9.946 -7.071 -1.175 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.582 -5.112 -2.770 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.272 -6.018 -0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.184 -7.144 -1.059 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.984 -4.120 -1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.885 -4.529 0.162 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.303 -5.165 1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.227 -6.275 0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.862 -4.421 -2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.188 -6.166 -2.416 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.255 -4.999 -3.234 1.00 0.00 H new ATOM 551 N ILE A 39 -8.456 -6.927 -4.694 1.00 0.00 N ATOM 552 CA ILE A 39 -7.966 -7.714 -5.820 1.00 0.00 C ATOM 553 C ILE A 39 -6.665 -7.148 -6.379 1.00 0.00 C ATOM 554 O ILE A 39 -5.764 -7.897 -6.759 1.00 0.00 O ATOM 555 CB ILE A 39 -9.008 -7.787 -6.954 1.00 0.00 C ATOM 556 CG1 ILE A 39 -9.446 -6.379 -7.370 1.00 0.00 C ATOM 557 CG2 ILE A 39 -10.205 -8.619 -6.519 1.00 0.00 C ATOM 558 CD1 ILE A 39 -10.425 -6.362 -8.525 1.00 0.00 C ATOM 0 H ILE A 39 -9.244 -6.319 -4.917 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.782 -8.717 -5.436 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.551 -8.270 -7.818 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.900 -5.881 -6.513 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.564 -5.800 -7.644 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.932 -8.662 -7.330 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -9.876 -9.629 -6.273 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.665 -8.164 -5.642 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -10.689 -5.332 -8.763 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.967 -6.830 -9.397 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.324 -6.912 -8.248 1.00 0.00 H new ATOM 570 N GLY A 40 -6.580 -5.824 -6.442 1.00 0.00 N ATOM 571 CA GLY A 40 -5.391 -5.183 -6.972 1.00 0.00 C ATOM 572 C GLY A 40 -4.631 -4.382 -5.934 1.00 0.00 C ATOM 573 O GLY A 40 -5.227 -3.686 -5.113 1.00 0.00 O ATOM 0 H GLY A 40 -7.312 -5.184 -6.136 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.731 -5.944 -7.389 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.676 -4.524 -7.792 1.00 0.00 H new ATOM 577 N LEU A 41 -3.305 -4.478 -5.981 1.00 0.00 N ATOM 578 CA LEU A 41 -2.445 -3.755 -5.053 1.00 0.00 C ATOM 579 C LEU A 41 -1.113 -3.439 -5.726 1.00 0.00 C ATOM 580 O LEU A 41 -0.480 -4.321 -6.307 1.00 0.00 O ATOM 581 CB LEU A 41 -2.224 -4.587 -3.780 1.00 0.00 C ATOM 582 CG LEU A 41 -1.541 -3.866 -2.606 1.00 0.00 C ATOM 583 CD1 LEU A 41 -0.073 -3.597 -2.902 1.00 0.00 C ATOM 584 CD2 LEU A 41 -2.264 -2.566 -2.280 1.00 0.00 C ATOM 0 H LEU A 41 -2.802 -5.053 -6.657 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.926 -2.818 -4.771 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.192 -4.955 -3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.625 -5.460 -4.041 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.595 -4.522 -1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.382 -3.086 -2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.442 -4.542 -3.076 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.010 -2.970 -3.790 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.765 -2.071 -1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.248 -1.912 -3.152 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.297 -2.783 -2.008 1.00 0.00 H new ATOM 596 N THR A 42 -0.694 -2.179 -5.648 1.00 0.00 N ATOM 597 CA THR A 42 0.562 -1.754 -6.258 1.00 0.00 C ATOM 598 C THR A 42 1.177 -0.573 -5.519 1.00 0.00 C ATOM 599 O THR A 42 0.485 0.379 -5.159 1.00 0.00 O ATOM 600 CB THR A 42 0.370 -1.348 -7.734 1.00 0.00 C ATOM 601 OG1 THR A 42 -0.682 -0.382 -7.844 1.00 0.00 O ATOM 602 CG2 THR A 42 0.055 -2.553 -8.606 1.00 0.00 C ATOM 0 H THR A 42 -1.204 -1.436 -5.170 1.00 0.00 H new ATOM 0 HA THR A 42 1.230 -2.613 -6.197 1.00 0.00 H new ATOM 0 HB THR A 42 1.305 -0.912 -8.085 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.796 -0.128 -8.784 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.074 -2.231 -9.639 1.00 0.00 H new ATOM 0 HG22 THR A 42 0.876 -3.268 -8.549 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.863 -3.025 -8.256 1.00 0.00 H new ATOM 610 N ILE A 43 2.489 -0.637 -5.321 1.00 0.00 N ATOM 611 CA ILE A 43 3.220 0.430 -4.652 1.00 0.00 C ATOM 612 C ILE A 43 4.364 0.903 -5.541 1.00 0.00 C ATOM 613 O ILE A 43 5.178 0.099 -5.996 1.00 0.00 O ATOM 614 CB ILE A 43 3.784 -0.026 -3.290 1.00 0.00 C ATOM 615 CG1 ILE A 43 2.648 -0.476 -2.367 1.00 0.00 C ATOM 616 CG2 ILE A 43 4.586 1.098 -2.644 1.00 0.00 C ATOM 617 CD1 ILE A 43 3.121 -0.985 -1.021 1.00 0.00 C ATOM 0 H ILE A 43 3.070 -1.422 -5.617 1.00 0.00 H new ATOM 0 HA ILE A 43 2.521 1.247 -4.470 1.00 0.00 H new ATOM 0 HB ILE A 43 4.450 -0.873 -3.455 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.967 0.360 -2.210 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.079 -1.262 -2.863 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.977 0.761 -1.684 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.414 1.375 -3.296 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.941 1.963 -2.489 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.261 -1.285 -0.423 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.779 -1.842 -1.167 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.665 -0.194 -0.504 1.00 0.00 H new ATOM 629 N CYS A 44 4.411 2.205 -5.799 1.00 0.00 N ATOM 630 CA CYS A 44 5.445 2.778 -6.651 1.00 0.00 C ATOM 631 C CYS A 44 5.410 2.133 -8.035 1.00 0.00 C ATOM 632 O CYS A 44 6.450 1.885 -8.646 1.00 0.00 O ATOM 633 CB CYS A 44 6.826 2.595 -6.014 1.00 0.00 C ATOM 634 SG CYS A 44 6.982 3.339 -4.374 1.00 0.00 S ATOM 0 H CYS A 44 3.745 2.883 -5.430 1.00 0.00 H new ATOM 0 HA CYS A 44 5.252 3.845 -6.759 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.043 1.529 -5.941 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.579 3.029 -6.672 1.00 0.00 H new ATOM 0 HG CYS A 44 7.804 4.345 -4.430 1.00 0.00 H new ATOM 640 N GLY A 45 4.198 1.869 -8.518 1.00 0.00 N ATOM 641 CA GLY A 45 4.020 1.257 -9.824 1.00 0.00 C ATOM 642 C GLY A 45 4.589 -0.146 -9.908 1.00 0.00 C ATOM 643 O GLY A 45 5.080 -0.561 -10.959 1.00 0.00 O ATOM 0 H GLY A 45 3.329 2.070 -8.023 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.957 1.226 -10.062 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.497 1.882 -10.579 1.00 0.00 H new ATOM 647 N HIS A 46 4.510 -0.882 -8.804 1.00 0.00 N ATOM 648 CA HIS A 46 5.008 -2.254 -8.761 1.00 0.00 C ATOM 649 C HIS A 46 3.964 -3.184 -8.150 1.00 0.00 C ATOM 650 O HIS A 46 3.376 -2.875 -7.114 1.00 0.00 O ATOM 651 CB HIS A 46 6.307 -2.331 -7.960 1.00 0.00 C ATOM 652 CG HIS A 46 6.926 -3.694 -7.961 1.00 0.00 C ATOM 653 ND1 HIS A 46 7.142 -4.573 -6.954 1.00 0.00 N flip ATOM 654 CD2 HIS A 46 7.400 -4.304 -9.105 1.00 0.00 C flip ATOM 655 CE1 HIS A 46 7.734 -5.683 -7.502 1.00 0.00 C flip ATOM 656 NE2 HIS A 46 7.879 -5.496 -8.800 1.00 0.00 N flip ATOM 0 H HIS A 46 4.106 -0.552 -7.927 1.00 0.00 H new ATOM 0 HA HIS A 46 5.208 -2.574 -9.784 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.020 -1.616 -8.369 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.109 -2.031 -6.931 1.00 0.00 H new ATOM 0 HD1 HIS A 46 6.908 -4.436 -5.971 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.382 -3.873 -10.095 1.00 0.00 H new ATOM 0 HE1 HIS A 46 8.033 -6.567 -6.959 1.00 0.00 H new ATOM 665 N ASN A 47 3.737 -4.322 -8.797 1.00 0.00 N ATOM 666 CA ASN A 47 2.762 -5.295 -8.314 1.00 0.00 C ATOM 667 C ASN A 47 3.233 -5.945 -7.015 1.00 0.00 C ATOM 668 O ASN A 47 4.380 -6.378 -6.908 1.00 0.00 O ATOM 669 CB ASN A 47 2.512 -6.369 -9.373 1.00 0.00 C ATOM 670 CG ASN A 47 1.489 -7.395 -8.925 1.00 0.00 C ATOM 671 OD1 ASN A 47 0.334 -7.061 -8.659 1.00 0.00 O ATOM 672 ND2 ASN A 47 1.908 -8.651 -8.835 1.00 0.00 N ATOM 0 H ASN A 47 4.214 -4.594 -9.657 1.00 0.00 H new ATOM 0 HA ASN A 47 1.830 -4.766 -8.116 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.169 -5.896 -10.293 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.451 -6.873 -9.604 1.00 0.00 H new ATOM 0 HD21 ASN A 47 1.264 -9.383 -8.536 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.874 -8.884 -9.065 1.00 0.00 H new ATOM 679 N CYS A 48 2.334 -6.014 -6.035 1.00 0.00 N ATOM 680 CA CYS A 48 2.646 -6.614 -4.741 1.00 0.00 C ATOM 681 C CYS A 48 1.376 -7.128 -4.066 1.00 0.00 C ATOM 682 O CYS A 48 1.229 -7.042 -2.847 1.00 0.00 O ATOM 683 CB CYS A 48 3.333 -5.595 -3.826 1.00 0.00 C ATOM 684 SG CYS A 48 4.931 -5.005 -4.429 1.00 0.00 S ATOM 0 H CYS A 48 1.381 -5.660 -6.114 1.00 0.00 H new ATOM 0 HA CYS A 48 3.322 -7.451 -4.914 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.670 -4.740 -3.694 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.473 -6.045 -2.843 1.00 0.00 H new ATOM 0 HG CYS A 48 5.160 -5.502 -5.608 1.00 0.00 H new ATOM 690 N LEU A 49 0.460 -7.659 -4.870 1.00 0.00 N ATOM 691 CA LEU A 49 -0.801 -8.184 -4.357 1.00 0.00 C ATOM 692 C LEU A 49 -0.597 -9.557 -3.720 1.00 0.00 C ATOM 693 O LEU A 49 -1.100 -9.825 -2.629 1.00 0.00 O ATOM 694 CB LEU A 49 -1.837 -8.260 -5.489 1.00 0.00 C ATOM 695 CG LEU A 49 -3.282 -8.580 -5.069 1.00 0.00 C ATOM 696 CD1 LEU A 49 -3.432 -10.038 -4.662 1.00 0.00 C ATOM 697 CD2 LEU A 49 -3.727 -7.664 -3.937 1.00 0.00 C ATOM 0 H LEU A 49 0.568 -7.737 -5.881 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.172 -7.508 -3.586 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.837 -7.307 -6.017 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.511 -9.019 -6.201 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.924 -8.406 -5.933 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.465 -10.230 -4.371 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.166 -10.679 -5.502 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.773 -10.251 -3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.751 -7.906 -3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.071 -7.803 -3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.677 -6.627 -4.268 1.00 0.00 H new ATOM 709 N LEU A 50 0.136 -10.424 -4.414 1.00 0.00 N ATOM 710 CA LEU A 50 0.400 -11.774 -3.921 1.00 0.00 C ATOM 711 C LEU A 50 0.972 -11.739 -2.505 1.00 0.00 C ATOM 712 O LEU A 50 0.621 -12.566 -1.663 1.00 0.00 O ATOM 713 CB LEU A 50 1.361 -12.521 -4.857 1.00 0.00 C ATOM 714 CG LEU A 50 2.801 -11.994 -4.904 1.00 0.00 C ATOM 715 CD1 LEU A 50 3.702 -12.984 -5.626 1.00 0.00 C ATOM 716 CD2 LEU A 50 2.866 -10.635 -5.590 1.00 0.00 C ATOM 0 H LEU A 50 0.558 -10.216 -5.319 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.550 -12.308 -3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.388 -13.568 -4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.951 -12.490 -5.866 1.00 0.00 H new ATOM 0 HG LEU A 50 3.149 -11.876 -3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.721 -12.597 -5.652 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.690 -13.938 -5.099 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.342 -13.127 -6.645 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.898 -10.286 -5.609 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.494 -10.725 -6.611 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.252 -9.921 -5.042 1.00 0.00 H new ATOM 728 N THR A 51 1.851 -10.776 -2.254 1.00 0.00 N ATOM 729 CA THR A 51 2.474 -10.627 -0.944 1.00 0.00 C ATOM 730 C THR A 51 1.544 -9.908 0.029 1.00 0.00 C ATOM 731 O THR A 51 1.522 -10.214 1.221 1.00 0.00 O ATOM 732 CB THR A 51 3.798 -9.849 -1.044 1.00 0.00 C ATOM 733 OG1 THR A 51 3.563 -8.545 -1.590 1.00 0.00 O ATOM 734 CG2 THR A 51 4.795 -10.596 -1.917 1.00 0.00 C ATOM 0 H THR A 51 2.149 -10.085 -2.942 1.00 0.00 H new ATOM 0 HA THR A 51 2.676 -11.631 -0.570 1.00 0.00 H new ATOM 0 HB THR A 51 4.214 -9.751 -0.041 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.411 -8.057 -1.648 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.724 -10.029 -1.975 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.994 -11.576 -1.484 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.382 -10.718 -2.918 1.00 0.00 H new ATOM 742 N ALA A 52 0.782 -8.950 -0.490 1.00 0.00 N ATOM 743 CA ALA A 52 -0.150 -8.179 0.326 1.00 0.00 C ATOM 744 C ALA A 52 -1.117 -9.086 1.078 1.00 0.00 C ATOM 745 O ALA A 52 -1.622 -10.067 0.530 1.00 0.00 O ATOM 746 CB ALA A 52 -0.917 -7.193 -0.541 1.00 0.00 C ATOM 0 H ALA A 52 0.792 -8.688 -1.476 1.00 0.00 H new ATOM 0 HA ALA A 52 0.431 -7.627 1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.609 -6.624 0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.217 -6.511 -1.023 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.476 -7.737 -1.303 1.00 0.00 H new ATOM 752 N GLU A 53 -1.370 -8.749 2.340 1.00 0.00 N ATOM 753 CA GLU A 53 -2.276 -9.529 3.176 1.00 0.00 C ATOM 754 C GLU A 53 -3.363 -8.639 3.775 1.00 0.00 C ATOM 755 O GLU A 53 -3.073 -7.580 4.331 1.00 0.00 O ATOM 756 CB GLU A 53 -1.496 -10.224 4.293 1.00 0.00 C ATOM 757 CG GLU A 53 -2.366 -11.067 5.212 1.00 0.00 C ATOM 758 CD GLU A 53 -1.567 -11.748 6.305 1.00 0.00 C ATOM 759 OE1 GLU A 53 -0.665 -12.544 5.972 1.00 0.00 O ATOM 760 OE2 GLU A 53 -1.844 -11.485 7.493 1.00 0.00 O ATOM 0 H GLU A 53 -0.959 -7.940 2.806 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.753 -10.284 2.551 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.730 -10.859 3.848 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.979 -9.470 4.887 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.129 -10.435 5.665 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.886 -11.822 4.623 1.00 0.00 H new ATOM 767 N TRP A 54 -4.612 -9.074 3.647 1.00 0.00 N ATOM 768 CA TRP A 54 -5.745 -8.315 4.167 1.00 0.00 C ATOM 769 C TRP A 54 -5.919 -8.532 5.669 1.00 0.00 C ATOM 770 O TRP A 54 -5.590 -9.595 6.196 1.00 0.00 O ATOM 771 CB TRP A 54 -7.032 -8.714 3.444 1.00 0.00 C ATOM 772 CG TRP A 54 -8.175 -7.785 3.721 1.00 0.00 C ATOM 773 CD1 TRP A 54 -8.453 -6.615 3.074 1.00 0.00 C ATOM 774 CD2 TRP A 54 -9.175 -7.930 4.736 1.00 0.00 C ATOM 775 NE1 TRP A 54 -9.576 -6.035 3.610 1.00 0.00 N ATOM 776 CE2 TRP A 54 -10.036 -6.820 4.635 1.00 0.00 C ATOM 777 CE3 TRP A 54 -9.432 -8.892 5.717 1.00 0.00 C ATOM 778 CZ2 TRP A 54 -11.131 -6.647 5.476 1.00 0.00 C ATOM 779 CZ3 TRP A 54 -10.520 -8.717 6.552 1.00 0.00 C ATOM 780 CH2 TRP A 54 -11.358 -7.603 6.427 1.00 0.00 C ATOM 0 H TRP A 54 -4.866 -9.949 3.188 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.540 -7.259 3.991 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -6.845 -8.740 2.370 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -7.312 -9.724 3.744 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -7.874 -6.206 2.259 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.999 -5.162 3.296 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -8.792 -9.756 5.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.779 -5.788 5.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -10.727 -9.453 7.315 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -12.200 -7.496 7.095 1.00 0.00 H new ATOM 791 N MET A 55 -6.453 -7.519 6.345 1.00 0.00 N ATOM 792 CA MET A 55 -6.695 -7.589 7.783 1.00 0.00 C ATOM 793 C MET A 55 -7.928 -6.773 8.157 1.00 0.00 C ATOM 794 O MET A 55 -8.769 -7.223 8.935 1.00 0.00 O ATOM 795 CB MET A 55 -5.483 -7.090 8.567 1.00 0.00 C ATOM 796 CG MET A 55 -4.300 -8.039 8.506 1.00 0.00 C ATOM 797 SD MET A 55 -2.925 -7.510 9.540 1.00 0.00 S ATOM 798 CE MET A 55 -1.872 -8.953 9.436 1.00 0.00 C ATOM 0 H MET A 55 -6.728 -6.635 5.917 1.00 0.00 H new ATOM 0 HA MET A 55 -6.868 -8.633 8.043 1.00 0.00 H new ATOM 0 HB2 MET A 55 -5.181 -6.118 8.177 1.00 0.00 H new ATOM 0 HB3 MET A 55 -5.768 -6.941 9.609 1.00 0.00 H new ATOM 0 HG2 MET A 55 -4.621 -9.033 8.818 1.00 0.00 H new ATOM 0 HG3 MET A 55 -3.961 -8.123 7.474 1.00 0.00 H new ATOM 0 HE1 MET A 55 -0.987 -8.803 10.054 1.00 0.00 H new ATOM 0 HE2 MET A 55 -2.418 -9.828 9.790 1.00 0.00 H new ATOM 0 HE3 MET A 55 -1.569 -9.109 8.401 1.00 0.00 H new ATOM 808 N SER A 56 -8.028 -5.574 7.594 1.00 0.00 N ATOM 809 CA SER A 56 -9.157 -4.691 7.859 1.00 0.00 C ATOM 810 C SER A 56 -9.203 -3.564 6.835 1.00 0.00 C ATOM 811 O SER A 56 -8.323 -3.457 5.980 1.00 0.00 O ATOM 812 CB SER A 56 -9.057 -4.115 9.274 1.00 0.00 C ATOM 813 OG SER A 56 -10.174 -3.296 9.572 1.00 0.00 O ATOM 0 H SER A 56 -7.338 -5.190 6.949 1.00 0.00 H new ATOM 0 HA SER A 56 -10.077 -5.271 7.779 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.995 -4.928 9.997 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.140 -3.533 9.369 1.00 0.00 H new ATOM 0 HG SER A 56 -10.087 -2.942 10.482 1.00 0.00 H new ATOM 819 N ALA A 57 -10.234 -2.728 6.923 1.00 0.00 N ATOM 820 CA ALA A 57 -10.391 -1.608 6.000 1.00 0.00 C ATOM 821 C ALA A 57 -9.454 -0.458 6.362 1.00 0.00 C ATOM 822 O ALA A 57 -9.852 0.708 6.346 1.00 0.00 O ATOM 823 CB ALA A 57 -11.836 -1.131 5.993 1.00 0.00 C ATOM 0 H ALA A 57 -10.972 -2.805 7.623 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.127 -1.954 5.001 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.940 -0.295 5.301 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.487 -1.947 5.678 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.118 -0.809 6.995 1.00 0.00 H new ATOM 829 N SER A 58 -8.207 -0.793 6.685 1.00 0.00 N ATOM 830 CA SER A 58 -7.216 0.211 7.052 1.00 0.00 C ATOM 831 C SER A 58 -5.829 -0.410 7.191 1.00 0.00 C ATOM 832 O SER A 58 -4.837 0.162 6.740 1.00 0.00 O ATOM 833 CB SER A 58 -7.611 0.896 8.361 1.00 0.00 C ATOM 834 OG SER A 58 -7.708 -0.041 9.420 1.00 0.00 O ATOM 0 H SER A 58 -7.861 -1.752 6.700 1.00 0.00 H new ATOM 0 HA SER A 58 -7.182 0.954 6.255 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.874 1.658 8.613 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.566 1.406 8.234 1.00 0.00 H new ATOM 0 HG SER A 58 -7.960 0.423 10.245 1.00 0.00 H new ATOM 840 N LYS A 59 -5.761 -1.581 7.821 1.00 0.00 N ATOM 841 CA LYS A 59 -4.487 -2.265 8.018 1.00 0.00 C ATOM 842 C LYS A 59 -4.221 -3.267 6.899 1.00 0.00 C ATOM 843 O LYS A 59 -5.078 -4.087 6.570 1.00 0.00 O ATOM 844 CB LYS A 59 -4.470 -2.975 9.373 1.00 0.00 C ATOM 845 CG LYS A 59 -3.140 -3.638 9.697 1.00 0.00 C ATOM 846 CD LYS A 59 -3.175 -4.319 11.055 1.00 0.00 C ATOM 847 CE LYS A 59 -1.821 -4.903 11.423 1.00 0.00 C ATOM 848 NZ LYS A 59 -1.843 -5.564 12.758 1.00 0.00 N ATOM 0 H LYS A 59 -6.569 -2.073 8.202 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.696 -1.515 7.998 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.707 -2.253 10.155 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.256 -3.730 9.388 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.900 -4.371 8.927 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.347 -2.891 9.684 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.481 -3.600 11.815 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.923 -5.111 11.046 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.520 -5.626 10.665 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.072 -4.111 11.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.900 -5.949 12.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.105 -4.869 13.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.539 -6.337 12.751 1.00 0.00 H new ATOM 862 N ILE A 60 -3.022 -3.197 6.327 1.00 0.00 N ATOM 863 CA ILE A 60 -2.627 -4.097 5.247 1.00 0.00 C ATOM 864 C ILE A 60 -1.121 -4.333 5.267 1.00 0.00 C ATOM 865 O ILE A 60 -0.338 -3.426 4.985 1.00 0.00 O ATOM 866 CB ILE A 60 -3.023 -3.532 3.865 1.00 0.00 C ATOM 867 CG1 ILE A 60 -4.542 -3.365 3.764 1.00 0.00 C ATOM 868 CG2 ILE A 60 -2.511 -4.440 2.754 1.00 0.00 C ATOM 869 CD1 ILE A 60 -5.002 -2.732 2.468 1.00 0.00 C ATOM 0 H ILE A 60 -2.304 -2.523 6.595 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.152 -5.039 5.409 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.563 -2.550 3.750 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.013 -4.342 3.868 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.887 -2.755 4.598 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.798 -4.028 1.786 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.425 -4.508 2.811 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.943 -5.434 2.868 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.089 -2.647 2.470 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.560 -1.740 2.371 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.688 -3.353 1.629 1.00 0.00 H new ATOM 881 N VAL A 61 -0.719 -5.558 5.596 1.00 0.00 N ATOM 882 CA VAL A 61 0.695 -5.909 5.645 1.00 0.00 C ATOM 883 C VAL A 61 1.208 -6.292 4.262 1.00 0.00 C ATOM 884 O VAL A 61 0.648 -7.167 3.604 1.00 0.00 O ATOM 885 CB VAL A 61 0.953 -7.074 6.623 1.00 0.00 C ATOM 886 CG1 VAL A 61 2.431 -7.434 6.657 1.00 0.00 C ATOM 887 CG2 VAL A 61 0.454 -6.720 8.015 1.00 0.00 C ATOM 0 H VAL A 61 -1.352 -6.322 5.832 1.00 0.00 H new ATOM 0 HA VAL A 61 1.231 -5.028 5.998 1.00 0.00 H new ATOM 0 HB VAL A 61 0.401 -7.945 6.271 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.589 -8.258 7.353 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.755 -7.734 5.661 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.009 -6.569 6.982 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.644 -7.553 8.692 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.977 -5.834 8.374 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.617 -6.520 7.978 1.00 0.00 H new ATOM 897 N CYS A 62 2.277 -5.633 3.826 1.00 0.00 N ATOM 898 CA CYS A 62 2.864 -5.906 2.519 1.00 0.00 C ATOM 899 C CYS A 62 4.196 -5.185 2.356 1.00 0.00 C ATOM 900 O CYS A 62 4.417 -4.127 2.946 1.00 0.00 O ATOM 901 CB CYS A 62 1.907 -5.481 1.403 1.00 0.00 C ATOM 902 SG CYS A 62 1.580 -3.706 1.348 1.00 0.00 S ATOM 0 H CYS A 62 2.754 -4.906 4.359 1.00 0.00 H new ATOM 0 HA CYS A 62 3.040 -6.980 2.451 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.322 -5.793 0.445 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.962 -6.010 1.528 1.00 0.00 H new ATOM 0 HG CYS A 62 2.561 -3.066 1.912 1.00 0.00 H new ATOM 908 N ARG A 63 5.080 -5.763 1.551 1.00 0.00 N ATOM 909 CA ARG A 63 6.391 -5.176 1.307 1.00 0.00 C ATOM 910 C ARG A 63 6.308 -4.121 0.207 1.00 0.00 C ATOM 911 O ARG A 63 5.711 -4.351 -0.845 1.00 0.00 O ATOM 912 CB ARG A 63 7.392 -6.267 0.922 1.00 0.00 C ATOM 913 CG ARG A 63 6.976 -7.066 -0.302 1.00 0.00 C ATOM 914 CD ARG A 63 7.920 -8.230 -0.559 1.00 0.00 C ATOM 915 NE ARG A 63 7.525 -9.001 -1.735 1.00 0.00 N ATOM 916 CZ ARG A 63 8.135 -10.115 -2.128 1.00 0.00 C ATOM 917 NH1 ARG A 63 9.152 -10.602 -1.431 1.00 0.00 N ATOM 918 NH2 ARG A 63 7.723 -10.748 -3.218 1.00 0.00 N ATOM 0 H ARG A 63 4.912 -6.639 1.056 1.00 0.00 H new ATOM 0 HA ARG A 63 6.732 -4.693 2.223 1.00 0.00 H new ATOM 0 HB2 ARG A 63 8.363 -5.808 0.734 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.518 -6.947 1.764 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.962 -7.443 -0.164 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.957 -6.413 -1.174 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.933 -7.852 -0.696 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.938 -8.883 0.314 1.00 0.00 H new ATOM 0 HE ARG A 63 6.735 -8.665 -2.287 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.470 -10.122 -0.589 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.617 -11.457 -1.737 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.938 -10.380 -3.755 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.191 -11.603 -3.519 1.00 0.00 H new ATOM 932 N VAL A 64 6.901 -2.960 0.465 1.00 0.00 N ATOM 933 CA VAL A 64 6.889 -1.861 -0.493 1.00 0.00 C ATOM 934 C VAL A 64 7.550 -2.250 -1.812 1.00 0.00 C ATOM 935 O VAL A 64 8.662 -2.774 -1.835 1.00 0.00 O ATOM 936 CB VAL A 64 7.583 -0.610 0.080 1.00 0.00 C ATOM 937 CG1 VAL A 64 6.699 0.056 1.120 1.00 0.00 C ATOM 938 CG2 VAL A 64 8.934 -0.971 0.683 1.00 0.00 C ATOM 0 H VAL A 64 7.397 -2.756 1.332 1.00 0.00 H new ATOM 0 HA VAL A 64 5.841 -1.630 -0.686 1.00 0.00 H new ATOM 0 HB VAL A 64 7.750 0.093 -0.736 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.203 0.938 1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.756 0.353 0.660 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.502 -0.644 1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.406 -0.073 1.081 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.792 -1.694 1.487 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.572 -1.405 -0.087 1.00 0.00 H new ATOM 948 N GLY A 65 6.851 -1.982 -2.912 1.00 0.00 N ATOM 949 CA GLY A 65 7.374 -2.301 -4.228 1.00 0.00 C ATOM 950 C GLY A 65 8.502 -1.379 -4.645 1.00 0.00 C ATOM 951 O GLY A 65 8.586 -0.244 -4.176 1.00 0.00 O ATOM 0 H GLY A 65 5.928 -1.548 -2.914 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.731 -3.331 -4.234 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.569 -2.238 -4.960 1.00 0.00 H new ATOM 955 N GLN A 66 9.369 -1.866 -5.530 1.00 0.00 N ATOM 956 CA GLN A 66 10.495 -1.077 -6.017 1.00 0.00 C ATOM 957 C GLN A 66 10.025 0.299 -6.481 1.00 0.00 C ATOM 958 O GLN A 66 8.889 0.454 -6.927 1.00 0.00 O ATOM 959 CB GLN A 66 11.201 -1.803 -7.165 1.00 0.00 C ATOM 960 CG GLN A 66 10.312 -2.042 -8.375 1.00 0.00 C ATOM 961 CD GLN A 66 11.029 -2.747 -9.516 1.00 0.00 C ATOM 962 OE1 GLN A 66 12.306 -3.065 -9.321 1.00 0.00 O flip ATOM 963 NE2 GLN A 66 10.438 -3.005 -10.564 1.00 0.00 N flip ATOM 0 H GLN A 66 9.312 -2.805 -5.924 1.00 0.00 H new ATOM 0 HA GLN A 66 11.200 -0.947 -5.196 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.069 -1.220 -7.472 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.573 -2.762 -6.803 1.00 0.00 H new ATOM 0 HG2 GLN A 66 9.451 -2.638 -8.073 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.929 -1.086 -8.731 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.458 -2.744 -10.674 1.00 0.00 H new ATOM 0 HE22 GLN A 66 10.928 -3.480 -11.322 1.00 0.00 H new ATOM 972 N ALA A 67 10.898 1.295 -6.355 1.00 0.00 N ATOM 973 CA ALA A 67 10.570 2.662 -6.748 1.00 0.00 C ATOM 974 C ALA A 67 10.538 2.828 -8.266 1.00 0.00 C ATOM 975 O ALA A 67 11.276 3.640 -8.825 1.00 0.00 O ATOM 976 CB ALA A 67 11.556 3.641 -6.134 1.00 0.00 C ATOM 0 H ALA A 67 11.841 1.180 -5.983 1.00 0.00 H new ATOM 0 HA ALA A 67 9.570 2.877 -6.372 1.00 0.00 H new ATOM 0 HB1 ALA A 67 11.298 4.656 -6.437 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.515 3.565 -5.047 1.00 0.00 H new ATOM 0 HB3 ALA A 67 12.564 3.406 -6.477 1.00 0.00 H new ATOM 982 N LYS A 68 9.674 2.063 -8.927 1.00 0.00 N ATOM 983 CA LYS A 68 9.537 2.137 -10.376 1.00 0.00 C ATOM 984 C LYS A 68 9.233 3.572 -10.793 1.00 0.00 C ATOM 985 O LYS A 68 9.857 4.114 -11.705 1.00 0.00 O ATOM 986 CB LYS A 68 8.418 1.190 -10.837 1.00 0.00 C ATOM 987 CG LYS A 68 8.276 1.049 -12.348 1.00 0.00 C ATOM 988 CD LYS A 68 7.657 2.283 -12.990 1.00 0.00 C ATOM 989 CE LYS A 68 7.511 2.115 -14.493 1.00 0.00 C ATOM 990 NZ LYS A 68 6.909 3.319 -15.132 1.00 0.00 N ATOM 0 H LYS A 68 9.058 1.384 -8.480 1.00 0.00 H new ATOM 0 HA LYS A 68 10.471 1.830 -10.847 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.599 0.203 -10.410 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.471 1.545 -10.430 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.257 0.868 -12.787 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.660 0.178 -12.573 1.00 0.00 H new ATOM 0 HD2 LYS A 68 6.679 2.473 -12.547 1.00 0.00 H new ATOM 0 HD3 LYS A 68 8.277 3.154 -12.779 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.489 1.922 -14.933 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.890 1.244 -14.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.827 3.164 -16.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.965 3.489 -14.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.515 4.146 -14.955 1.00 0.00 H new ATOM 1004 N ASN A 69 8.272 4.180 -10.106 1.00 0.00 N ATOM 1005 CA ASN A 69 7.876 5.555 -10.383 1.00 0.00 C ATOM 1006 C ASN A 69 8.808 6.541 -9.678 1.00 0.00 C ATOM 1007 O ASN A 69 10.026 6.480 -9.845 1.00 0.00 O ATOM 1008 CB ASN A 69 6.425 5.786 -9.951 1.00 0.00 C ATOM 1009 CG ASN A 69 5.441 4.975 -10.766 1.00 0.00 C ATOM 1010 OD1 ASN A 69 5.531 3.750 -10.836 1.00 0.00 O ATOM 1011 ND2 ASN A 69 4.488 5.661 -11.384 1.00 0.00 N ATOM 0 H ASN A 69 7.750 3.739 -9.349 1.00 0.00 H new ATOM 0 HA ASN A 69 7.952 5.725 -11.457 1.00 0.00 H new ATOM 0 HB2 ASN A 69 6.318 5.529 -8.897 1.00 0.00 H new ATOM 0 HB3 ASN A 69 6.185 6.845 -10.047 1.00 0.00 H new ATOM 0 HD21 ASN A 69 3.791 5.173 -11.946 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.453 6.677 -11.297 1.00 0.00 H new ATOM 1018 N ASP A 70 8.232 7.446 -8.889 1.00 0.00 N ATOM 1019 CA ASP A 70 9.016 8.439 -8.163 1.00 0.00 C ATOM 1020 C ASP A 70 8.208 9.030 -7.012 1.00 0.00 C ATOM 1021 O ASP A 70 8.734 9.252 -5.922 1.00 0.00 O ATOM 1022 CB ASP A 70 9.472 9.555 -9.104 1.00 0.00 C ATOM 1023 CG ASP A 70 10.285 10.617 -8.390 1.00 0.00 C ATOM 1024 OD1 ASP A 70 11.346 10.275 -7.826 1.00 0.00 O ATOM 1025 OD2 ASP A 70 9.860 11.792 -8.396 1.00 0.00 O ATOM 0 H ASP A 70 7.225 7.511 -8.737 1.00 0.00 H new ATOM 0 HA ASP A 70 9.895 7.940 -7.753 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.068 9.126 -9.910 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.599 10.018 -9.564 1.00 0.00 H new ATOM 1030 N LYS A 71 6.927 9.279 -7.264 1.00 0.00 N ATOM 1031 CA LYS A 71 6.042 9.840 -6.253 1.00 0.00 C ATOM 1032 C LYS A 71 5.953 8.919 -5.041 1.00 0.00 C ATOM 1033 O LYS A 71 5.980 9.376 -3.899 1.00 0.00 O ATOM 1034 CB LYS A 71 4.652 10.070 -6.845 1.00 0.00 C ATOM 1035 CG LYS A 71 3.644 10.606 -5.843 1.00 0.00 C ATOM 1036 CD LYS A 71 2.300 10.891 -6.497 1.00 0.00 C ATOM 1037 CE LYS A 71 2.407 12.003 -7.530 1.00 0.00 C ATOM 1038 NZ LYS A 71 1.099 12.284 -8.182 1.00 0.00 N ATOM 0 H LYS A 71 6.479 9.100 -8.163 1.00 0.00 H new ATOM 0 HA LYS A 71 6.452 10.796 -5.926 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.732 10.770 -7.677 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.281 9.130 -7.254 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.511 9.883 -5.038 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.030 11.520 -5.391 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.927 9.985 -6.974 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.575 11.171 -5.733 1.00 0.00 H new ATOM 0 HE2 LYS A 71 2.775 12.910 -7.050 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.138 11.724 -8.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.215 13.047 -8.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.759 11.426 -8.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.407 12.575 -7.462 1.00 0.00 H new ATOM 1052 N GLY A 72 5.846 7.620 -5.300 1.00 0.00 N ATOM 1053 CA GLY A 72 5.752 6.650 -4.226 1.00 0.00 C ATOM 1054 C GLY A 72 4.387 6.639 -3.567 1.00 0.00 C ATOM 1055 O GLY A 72 4.279 6.467 -2.353 1.00 0.00 O ATOM 0 H GLY A 72 5.823 7.221 -6.238 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.970 5.657 -4.619 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.512 6.870 -3.476 1.00 0.00 H new ATOM 1059 N ASP A 73 3.343 6.818 -4.370 1.00 0.00 N ATOM 1060 CA ASP A 73 1.979 6.821 -3.856 1.00 0.00 C ATOM 1061 C ASP A 73 1.529 5.399 -3.529 1.00 0.00 C ATOM 1062 O ASP A 73 1.780 4.469 -4.295 1.00 0.00 O ATOM 1063 CB ASP A 73 1.024 7.452 -4.871 1.00 0.00 C ATOM 1064 CG ASP A 73 -0.376 7.621 -4.317 1.00 0.00 C ATOM 1065 OD1 ASP A 73 -0.531 8.334 -3.303 1.00 0.00 O ATOM 1066 OD2 ASP A 73 -1.318 7.041 -4.895 1.00 0.00 O ATOM 0 H ASP A 73 3.416 6.963 -5.377 1.00 0.00 H new ATOM 0 HA ASP A 73 1.960 7.415 -2.942 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.412 8.424 -5.175 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.986 6.830 -5.765 1.00 0.00 H new ATOM 1071 N ILE A 74 0.870 5.237 -2.387 1.00 0.00 N ATOM 1072 CA ILE A 74 0.394 3.925 -1.961 1.00 0.00 C ATOM 1073 C ILE A 74 -0.965 3.609 -2.583 1.00 0.00 C ATOM 1074 O ILE A 74 -2.010 3.970 -2.041 1.00 0.00 O ATOM 1075 CB ILE A 74 0.295 3.845 -0.424 1.00 0.00 C ATOM 1076 CG1 ILE A 74 1.656 4.168 0.200 1.00 0.00 C ATOM 1077 CG2 ILE A 74 -0.187 2.467 0.011 1.00 0.00 C ATOM 1078 CD1 ILE A 74 1.650 4.183 1.713 1.00 0.00 C ATOM 0 H ILE A 74 0.653 5.996 -1.741 1.00 0.00 H new ATOM 0 HA ILE A 74 1.118 3.186 -2.304 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.432 4.579 -0.077 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.385 3.434 -0.143 1.00 0.00 H new ATOM 0 HG13 ILE A 74 1.989 5.141 -0.162 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.250 2.430 1.099 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.171 2.274 -0.417 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.515 1.709 -0.337 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.649 4.419 2.078 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.947 4.937 2.067 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.350 3.204 2.085 1.00 0.00 H new ATOM 1090 N ILE A 75 -0.934 2.935 -3.730 1.00 0.00 N ATOM 1091 CA ILE A 75 -2.153 2.567 -4.444 1.00 0.00 C ATOM 1092 C ILE A 75 -2.783 1.303 -3.867 1.00 0.00 C ATOM 1093 O ILE A 75 -2.089 0.333 -3.565 1.00 0.00 O ATOM 1094 CB ILE A 75 -1.873 2.341 -5.945 1.00 0.00 C ATOM 1095 CG1 ILE A 75 -1.295 3.609 -6.583 1.00 0.00 C ATOM 1096 CG2 ILE A 75 -3.144 1.910 -6.666 1.00 0.00 C ATOM 1097 CD1 ILE A 75 -2.252 4.782 -6.591 1.00 0.00 C ATOM 0 H ILE A 75 -0.074 2.632 -4.186 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.847 3.399 -4.323 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.136 1.544 -6.041 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.390 3.894 -6.046 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.000 3.386 -7.608 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.928 1.755 -7.723 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.512 0.981 -6.231 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.903 2.685 -6.561 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.771 5.641 -7.058 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.147 4.517 -7.154 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.528 5.033 -5.567 1.00 0.00 H new ATOM 1109 N VAL A 76 -4.106 1.318 -3.737 1.00 0.00 N ATOM 1110 CA VAL A 76 -4.846 0.172 -3.219 1.00 0.00 C ATOM 1111 C VAL A 76 -6.158 0.007 -3.980 1.00 0.00 C ATOM 1112 O VAL A 76 -7.091 0.791 -3.803 1.00 0.00 O ATOM 1113 CB VAL A 76 -5.148 0.318 -1.714 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -5.931 -0.881 -1.202 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -3.860 0.497 -0.923 1.00 0.00 C ATOM 0 H VAL A 76 -4.691 2.116 -3.985 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.220 -0.709 -3.359 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.761 1.208 -1.575 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.133 -0.756 -0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.874 -0.958 -1.744 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.348 -1.789 -1.357 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.095 0.598 0.137 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.218 -0.372 -1.071 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.343 1.393 -1.267 1.00 0.00 H new ATOM 1125 N THR A 77 -6.219 -1.009 -4.835 1.00 0.00 N ATOM 1126 CA THR A 77 -7.411 -1.266 -5.631 1.00 0.00 C ATOM 1127 C THR A 77 -8.457 -2.039 -4.837 1.00 0.00 C ATOM 1128 O THR A 77 -8.125 -2.913 -4.037 1.00 0.00 O ATOM 1129 CB THR A 77 -7.071 -2.048 -6.914 1.00 0.00 C ATOM 1130 OG1 THR A 77 -5.989 -1.409 -7.603 1.00 0.00 O ATOM 1131 CG2 THR A 77 -8.280 -2.129 -7.835 1.00 0.00 C ATOM 0 H THR A 77 -5.456 -1.667 -4.993 1.00 0.00 H new ATOM 0 HA THR A 77 -7.820 -0.293 -5.903 1.00 0.00 H new ATOM 0 HB THR A 77 -6.779 -3.059 -6.630 1.00 0.00 H new ATOM 0 HG1 THR A 77 -5.777 -1.912 -8.417 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.016 -2.686 -8.734 1.00 0.00 H new ATOM 0 HG22 THR A 77 -9.096 -2.637 -7.321 1.00 0.00 H new ATOM 0 HG23 THR A 77 -8.595 -1.123 -8.111 1.00 0.00 H new ATOM 1139 N THR A 78 -9.724 -1.712 -5.072 1.00 0.00 N ATOM 1140 CA THR A 78 -10.828 -2.374 -4.390 1.00 0.00 C ATOM 1141 C THR A 78 -11.992 -2.595 -5.348 1.00 0.00 C ATOM 1142 O THR A 78 -12.360 -1.698 -6.106 1.00 0.00 O ATOM 1143 CB THR A 78 -11.321 -1.558 -3.180 1.00 0.00 C ATOM 1144 OG1 THR A 78 -11.748 -0.259 -3.605 1.00 0.00 O ATOM 1145 CG2 THR A 78 -10.225 -1.420 -2.133 1.00 0.00 C ATOM 0 H THR A 78 -10.011 -0.990 -5.732 1.00 0.00 H new ATOM 0 HA THR A 78 -10.455 -3.334 -4.034 1.00 0.00 H new ATOM 0 HB THR A 78 -12.162 -2.089 -2.733 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.061 0.252 -2.830 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.599 -0.840 -1.289 1.00 0.00 H new ATOM 0 HG22 THR A 78 -9.924 -2.409 -1.788 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.366 -0.912 -2.571 1.00 0.00 H new ATOM 1153 N LYS A 79 -12.562 -3.796 -5.315 1.00 0.00 N ATOM 1154 CA LYS A 79 -13.680 -4.133 -6.187 1.00 0.00 C ATOM 1155 C LYS A 79 -14.822 -3.138 -6.012 1.00 0.00 C ATOM 1156 O LYS A 79 -15.411 -2.677 -6.990 1.00 0.00 O ATOM 1157 CB LYS A 79 -14.164 -5.555 -5.899 1.00 0.00 C ATOM 1158 CG LYS A 79 -13.082 -6.606 -6.092 1.00 0.00 C ATOM 1159 CD LYS A 79 -13.580 -8.009 -5.774 1.00 0.00 C ATOM 1160 CE LYS A 79 -14.583 -8.513 -6.804 1.00 0.00 C ATOM 1161 NZ LYS A 79 -15.866 -7.756 -6.763 1.00 0.00 N ATOM 0 H LYS A 79 -12.268 -4.550 -4.694 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.338 -4.080 -7.221 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.533 -5.606 -4.874 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.006 -5.785 -6.552 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -12.726 -6.573 -7.122 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.231 -6.371 -5.453 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.732 -8.692 -5.731 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.043 -8.013 -4.787 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.148 -8.433 -7.800 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.782 -9.570 -6.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -16.661 -8.414 -6.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -15.956 -7.275 -5.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -15.877 -7.050 -7.526 1.00 0.00 H new ATOM 1175 N SER A 80 -15.118 -2.799 -4.762 1.00 0.00 N ATOM 1176 CA SER A 80 -16.179 -1.845 -4.461 1.00 0.00 C ATOM 1177 C SER A 80 -15.825 -0.470 -5.016 1.00 0.00 C ATOM 1178 O SER A 80 -16.631 0.168 -5.692 1.00 0.00 O ATOM 1179 CB SER A 80 -16.400 -1.756 -2.949 1.00 0.00 C ATOM 1180 OG SER A 80 -16.773 -3.011 -2.410 1.00 0.00 O ATOM 0 H SER A 80 -14.639 -3.170 -3.942 1.00 0.00 H new ATOM 0 HA SER A 80 -17.099 -2.190 -4.932 1.00 0.00 H new ATOM 0 HB2 SER A 80 -15.488 -1.407 -2.466 1.00 0.00 H new ATOM 0 HB3 SER A 80 -17.176 -1.021 -2.735 1.00 0.00 H new ATOM 0 HG SER A 80 -16.906 -2.925 -1.443 1.00 0.00 H new ATOM 1186 N GLY A 81 -14.604 -0.027 -4.726 1.00 0.00 N ATOM 1187 CA GLY A 81 -14.142 1.263 -5.200 1.00 0.00 C ATOM 1188 C GLY A 81 -13.151 1.132 -6.342 1.00 0.00 C ATOM 1189 O GLY A 81 -13.464 0.551 -7.381 1.00 0.00 O ATOM 0 H GLY A 81 -13.924 -0.543 -4.168 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -14.996 1.855 -5.528 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.676 1.805 -4.377 1.00 0.00 H new ATOM 1193 N GLY A 82 -11.951 1.670 -6.144 1.00 0.00 N ATOM 1194 CA GLY A 82 -10.921 1.598 -7.166 1.00 0.00 C ATOM 1195 C GLY A 82 -9.534 1.827 -6.598 1.00 0.00 C ATOM 1196 O GLY A 82 -9.228 1.369 -5.497 1.00 0.00 O ATOM 0 H GLY A 82 -11.673 2.156 -5.291 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.958 0.621 -7.648 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -11.124 2.342 -7.937 1.00 0.00 H new ATOM 1200 N LYS A 83 -8.695 2.540 -7.343 1.00 0.00 N ATOM 1201 CA LYS A 83 -7.337 2.826 -6.893 1.00 0.00 C ATOM 1202 C LYS A 83 -7.351 3.733 -5.667 1.00 0.00 C ATOM 1203 O LYS A 83 -7.988 4.786 -5.667 1.00 0.00 O ATOM 1204 CB LYS A 83 -6.526 3.470 -8.018 1.00 0.00 C ATOM 1205 CG LYS A 83 -6.254 2.532 -9.183 1.00 0.00 C ATOM 1206 CD LYS A 83 -5.478 3.227 -10.288 1.00 0.00 C ATOM 1207 CE LYS A 83 -5.098 2.259 -11.396 1.00 0.00 C ATOM 1208 NZ LYS A 83 -4.336 2.932 -12.484 1.00 0.00 N ATOM 0 H LYS A 83 -8.930 2.929 -8.256 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.866 1.883 -6.617 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.060 4.346 -8.385 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.576 3.821 -7.615 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.692 1.667 -8.831 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.198 2.159 -9.579 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.079 4.037 -10.702 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.577 3.678 -9.873 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.499 1.449 -10.981 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -6.000 1.808 -11.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.096 2.238 -13.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -4.917 3.689 -12.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.462 3.340 -12.095 1.00 0.00 H new ATOM 1222 N GLY A 84 -6.648 3.311 -4.621 1.00 0.00 N ATOM 1223 CA GLY A 84 -6.595 4.087 -3.397 1.00 0.00 C ATOM 1224 C GLY A 84 -5.662 5.279 -3.491 1.00 0.00 C ATOM 1225 O GLY A 84 -4.523 5.152 -3.940 1.00 0.00 O ATOM 0 H GLY A 84 -6.113 2.443 -4.600 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -7.598 4.436 -3.151 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.272 3.443 -2.579 1.00 0.00 H new ATOM 1229 N THR A 85 -6.148 6.437 -3.056 1.00 0.00 N ATOM 1230 CA THR A 85 -5.358 7.661 -3.077 1.00 0.00 C ATOM 1231 C THR A 85 -4.763 7.940 -1.702 1.00 0.00 C ATOM 1232 O THR A 85 -5.377 7.633 -0.681 1.00 0.00 O ATOM 1233 CB THR A 85 -6.205 8.871 -3.514 1.00 0.00 C ATOM 1234 OG1 THR A 85 -7.294 9.063 -2.602 1.00 0.00 O ATOM 1235 CG2 THR A 85 -6.747 8.673 -4.921 1.00 0.00 C ATOM 0 H THR A 85 -7.090 6.553 -2.683 1.00 0.00 H new ATOM 0 HA THR A 85 -4.556 7.514 -3.800 1.00 0.00 H new ATOM 0 HB THR A 85 -5.566 9.754 -3.508 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.826 9.835 -2.886 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.342 9.540 -5.207 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.917 8.556 -5.618 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.371 7.780 -4.948 1.00 0.00 H new ATOM 1243 N SER A 86 -3.565 8.518 -1.675 1.00 0.00 N ATOM 1244 CA SER A 86 -2.902 8.825 -0.413 1.00 0.00 C ATOM 1245 C SER A 86 -2.013 10.057 -0.532 1.00 0.00 C ATOM 1246 O SER A 86 -1.216 10.176 -1.463 1.00 0.00 O ATOM 1247 CB SER A 86 -2.064 7.634 0.050 1.00 0.00 C ATOM 1248 OG SER A 86 -1.399 7.923 1.268 1.00 0.00 O ATOM 0 H SER A 86 -3.037 8.781 -2.507 1.00 0.00 H new ATOM 0 HA SER A 86 -3.679 9.033 0.322 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.705 6.762 0.180 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.332 7.380 -0.717 1.00 0.00 H new ATOM 0 HG SER A 86 -0.461 8.138 1.085 1.00 0.00 H new ATOM 1254 N THR A 87 -2.153 10.965 0.427 1.00 0.00 N ATOM 1255 CA THR A 87 -1.363 12.188 0.450 1.00 0.00 C ATOM 1256 C THR A 87 0.084 11.889 0.823 1.00 0.00 C ATOM 1257 O THR A 87 1.009 12.553 0.353 1.00 0.00 O ATOM 1258 CB THR A 87 -1.936 13.209 1.450 1.00 0.00 C ATOM 1259 OG1 THR A 87 -1.899 12.669 2.776 1.00 0.00 O ATOM 1260 CG2 THR A 87 -3.366 13.575 1.088 1.00 0.00 C ATOM 0 H THR A 87 -2.810 10.875 1.202 1.00 0.00 H new ATOM 0 HA THR A 87 -1.403 12.614 -0.553 1.00 0.00 H new ATOM 0 HB THR A 87 -1.324 14.110 1.407 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.263 13.325 3.407 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.750 14.297 1.808 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.388 14.011 0.089 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.987 12.679 1.107 1.00 0.00 H new ATOM 1268 N VAL A 88 0.269 10.888 1.679 1.00 0.00 N ATOM 1269 CA VAL A 88 1.599 10.498 2.130 1.00 0.00 C ATOM 1270 C VAL A 88 2.272 9.560 1.133 1.00 0.00 C ATOM 1271 O VAL A 88 1.634 8.668 0.572 1.00 0.00 O ATOM 1272 CB VAL A 88 1.546 9.810 3.509 1.00 0.00 C ATOM 1273 CG1 VAL A 88 1.013 10.768 4.564 1.00 0.00 C ATOM 1274 CG2 VAL A 88 0.695 8.549 3.449 1.00 0.00 C ATOM 0 H VAL A 88 -0.489 10.331 2.075 1.00 0.00 H new ATOM 0 HA VAL A 88 2.183 11.415 2.209 1.00 0.00 H new ATOM 0 HB VAL A 88 2.560 9.523 3.787 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.983 10.265 5.530 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.666 11.638 4.628 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.008 11.088 4.290 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.671 8.079 4.432 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.319 8.809 3.146 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.123 7.855 2.726 1.00 0.00 H new ATOM 1284 N SER A 89 3.567 9.772 0.917 1.00 0.00 N ATOM 1285 CA SER A 89 4.336 8.949 -0.010 1.00 0.00 C ATOM 1286 C SER A 89 5.536 8.324 0.691 1.00 0.00 C ATOM 1287 O SER A 89 6.205 8.973 1.495 1.00 0.00 O ATOM 1288 CB SER A 89 4.806 9.787 -1.200 1.00 0.00 C ATOM 1289 OG SER A 89 5.609 10.874 -0.774 1.00 0.00 O ATOM 0 H SER A 89 4.106 10.508 1.372 1.00 0.00 H new ATOM 0 HA SER A 89 3.689 8.149 -0.372 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.373 9.160 -1.889 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.942 10.162 -1.748 1.00 0.00 H new ATOM 0 HG SER A 89 5.898 11.393 -1.554 1.00 0.00 H new ATOM 1295 N PHE A 90 5.796 7.057 0.387 1.00 0.00 N ATOM 1296 CA PHE A 90 6.910 6.339 0.995 1.00 0.00 C ATOM 1297 C PHE A 90 8.196 6.529 0.194 1.00 0.00 C ATOM 1298 O PHE A 90 8.215 6.333 -1.022 1.00 0.00 O ATOM 1299 CB PHE A 90 6.582 4.850 1.097 1.00 0.00 C ATOM 1300 CG PHE A 90 7.635 4.050 1.808 1.00 0.00 C ATOM 1301 CD1 PHE A 90 7.927 4.290 3.141 1.00 0.00 C ATOM 1302 CD2 PHE A 90 8.335 3.058 1.140 1.00 0.00 C ATOM 1303 CE1 PHE A 90 8.898 3.555 3.795 1.00 0.00 C ATOM 1304 CE2 PHE A 90 9.306 2.321 1.788 1.00 0.00 C ATOM 1305 CZ PHE A 90 9.587 2.568 3.117 1.00 0.00 C ATOM 0 H PHE A 90 5.251 6.506 -0.276 1.00 0.00 H new ATOM 0 HA PHE A 90 7.066 6.747 1.994 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.633 4.731 1.619 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.447 4.447 0.093 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.390 5.060 3.675 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.119 2.859 0.101 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.118 3.752 4.834 1.00 0.00 H new ATOM 0 HE2 PHE A 90 9.846 1.552 1.256 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.344 1.990 3.626 1.00 0.00 H new ATOM 1315 N LYS A 91 9.272 6.896 0.884 1.00 0.00 N ATOM 1316 CA LYS A 91 10.564 7.094 0.237 1.00 0.00 C ATOM 1317 C LYS A 91 11.366 5.796 0.235 1.00 0.00 C ATOM 1318 O LYS A 91 11.591 5.195 1.285 1.00 0.00 O ATOM 1319 CB LYS A 91 11.354 8.194 0.952 1.00 0.00 C ATOM 1320 CG LYS A 91 12.727 8.448 0.349 1.00 0.00 C ATOM 1321 CD LYS A 91 13.503 9.486 1.144 1.00 0.00 C ATOM 1322 CE LYS A 91 14.877 9.734 0.545 1.00 0.00 C ATOM 1323 NZ LYS A 91 14.792 10.255 -0.848 1.00 0.00 N ATOM 0 H LYS A 91 9.274 7.062 1.890 1.00 0.00 H new ATOM 0 HA LYS A 91 10.387 7.398 -0.795 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.778 9.119 0.925 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.472 7.922 2.001 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.290 7.515 0.319 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.616 8.786 -0.681 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.942 10.420 1.169 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.610 9.150 2.176 1.00 0.00 H new ATOM 0 HE2 LYS A 91 15.420 10.446 1.166 1.00 0.00 H new ATOM 0 HE3 LYS A 91 15.448 8.806 0.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 15.726 10.601 -1.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.485 9.493 -1.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.106 11.036 -0.885 1.00 0.00 H new ATOM 1337 N LEU A 92 11.798 5.366 -0.947 1.00 0.00 N ATOM 1338 CA LEU A 92 12.577 4.139 -1.071 1.00 0.00 C ATOM 1339 C LEU A 92 14.058 4.405 -0.834 1.00 0.00 C ATOM 1340 O LEU A 92 14.664 5.246 -1.500 1.00 0.00 O ATOM 1341 CB LEU A 92 12.376 3.501 -2.451 1.00 0.00 C ATOM 1342 CG LEU A 92 10.983 2.914 -2.717 1.00 0.00 C ATOM 1343 CD1 LEU A 92 10.636 1.857 -1.679 1.00 0.00 C ATOM 1344 CD2 LEU A 92 9.928 4.009 -2.741 1.00 0.00 C ATOM 0 H LEU A 92 11.623 5.847 -1.829 1.00 0.00 H new ATOM 0 HA LEU A 92 12.222 3.446 -0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.585 4.253 -3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.114 2.708 -2.575 1.00 0.00 H new ATOM 0 HG LEU A 92 11.000 2.438 -3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.645 1.455 -1.887 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.370 1.052 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 92 10.644 2.306 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.950 3.568 -2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.914 4.522 -1.779 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.163 4.724 -3.530 1.00 0.00 H new ATOM 1356 N LEU A 93 14.637 3.679 0.116 1.00 0.00 N ATOM 1357 CA LEU A 93 16.049 3.828 0.441 1.00 0.00 C ATOM 1358 C LEU A 93 16.906 2.934 -0.448 1.00 0.00 C ATOM 1359 O LEU A 93 16.578 1.769 -0.670 1.00 0.00 O ATOM 1360 CB LEU A 93 16.298 3.490 1.913 1.00 0.00 C ATOM 1361 CG LEU A 93 15.511 4.336 2.918 1.00 0.00 C ATOM 1362 CD1 LEU A 93 15.858 3.931 4.341 1.00 0.00 C ATOM 1363 CD2 LEU A 93 15.788 5.816 2.702 1.00 0.00 C ATOM 0 H LEU A 93 14.148 2.980 0.675 1.00 0.00 H new ATOM 0 HA LEU A 93 16.328 4.867 0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 93 16.052 2.440 2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 93 17.362 3.604 2.121 1.00 0.00 H new ATOM 0 HG LEU A 93 14.447 4.159 2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.290 4.542 5.042 1.00 0.00 H new ATOM 0 HD12 LEU A 93 15.609 2.880 4.491 1.00 0.00 H new ATOM 0 HD13 LEU A 93 16.924 4.079 4.512 1.00 0.00 H new ATOM 0 HD21 LEU A 93 15.220 6.402 3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 93 16.852 6.010 2.834 1.00 0.00 H new ATOM 0 HD23 LEU A 93 15.490 6.098 1.692 1.00 0.00 H new ATOM 1375 N LYS A 94 18.007 3.483 -0.950 1.00 0.00 N ATOM 1376 CA LYS A 94 18.910 2.725 -1.808 1.00 0.00 C ATOM 1377 C LYS A 94 19.547 1.577 -1.027 1.00 0.00 C ATOM 1378 O LYS A 94 20.047 1.776 0.081 1.00 0.00 O ATOM 1379 CB LYS A 94 19.995 3.640 -2.378 1.00 0.00 C ATOM 1380 CG LYS A 94 20.969 2.931 -3.305 1.00 0.00 C ATOM 1381 CD LYS A 94 22.025 3.887 -3.838 1.00 0.00 C ATOM 1382 CE LYS A 94 22.991 3.185 -4.781 1.00 0.00 C ATOM 1383 NZ LYS A 94 22.294 2.611 -5.964 1.00 0.00 N ATOM 0 H LYS A 94 18.295 4.446 -0.778 1.00 0.00 H new ATOM 0 HA LYS A 94 18.334 2.308 -2.634 1.00 0.00 H new ATOM 0 HB2 LYS A 94 19.520 4.457 -2.921 1.00 0.00 H new ATOM 0 HB3 LYS A 94 20.551 4.086 -1.554 1.00 0.00 H new ATOM 0 HG2 LYS A 94 21.453 2.114 -2.770 1.00 0.00 H new ATOM 0 HG3 LYS A 94 20.423 2.488 -4.138 1.00 0.00 H new ATOM 0 HD2 LYS A 94 21.540 4.711 -4.361 1.00 0.00 H new ATOM 0 HD3 LYS A 94 22.579 4.320 -3.005 1.00 0.00 H new ATOM 0 HE2 LYS A 94 23.750 3.892 -5.115 1.00 0.00 H new ATOM 0 HE3 LYS A 94 23.509 2.390 -4.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 22.993 2.371 -6.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 21.780 1.753 -5.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 21.622 3.308 -6.343 1.00 0.00 H new ATOM 1397 N PRO A 95 19.536 0.355 -1.589 1.00 0.00 N ATOM 1398 CA PRO A 95 20.114 -0.821 -0.927 1.00 0.00 C ATOM 1399 C PRO A 95 21.577 -0.614 -0.553 1.00 0.00 C ATOM 1400 O PRO A 95 22.397 -0.245 -1.396 1.00 0.00 O ATOM 1401 CB PRO A 95 19.985 -1.925 -1.980 1.00 0.00 C ATOM 1402 CG PRO A 95 18.872 -1.480 -2.865 1.00 0.00 C ATOM 1403 CD PRO A 95 18.956 0.019 -2.903 1.00 0.00 C ATOM 0 HA PRO A 95 19.608 -1.048 0.011 1.00 0.00 H new ATOM 0 HB2 PRO A 95 20.912 -2.047 -2.541 1.00 0.00 H new ATOM 0 HB3 PRO A 95 19.763 -2.887 -1.519 1.00 0.00 H new ATOM 0 HG2 PRO A 95 18.974 -1.903 -3.864 1.00 0.00 H new ATOM 0 HG3 PRO A 95 17.908 -1.808 -2.476 1.00 0.00 H new ATOM 0 HD2 PRO A 95 19.585 0.367 -3.722 1.00 0.00 H new ATOM 0 HD3 PRO A 95 17.975 0.474 -3.039 1.00 0.00 H new ATOM 1411 N GLU A 96 21.900 -0.854 0.714 1.00 0.00 N ATOM 1412 CA GLU A 96 23.267 -0.693 1.195 1.00 0.00 C ATOM 1413 C GLU A 96 24.189 -1.737 0.574 1.00 0.00 C ATOM 1414 O GLU A 96 24.084 -2.929 0.869 1.00 0.00 O ATOM 1415 CB GLU A 96 23.309 -0.798 2.721 1.00 0.00 C ATOM 1416 CG GLU A 96 22.518 0.287 3.435 1.00 0.00 C ATOM 1417 CD GLU A 96 23.083 1.676 3.207 1.00 0.00 C ATOM 1418 OE1 GLU A 96 23.117 2.123 2.042 1.00 0.00 O ATOM 1419 OE2 GLU A 96 23.494 2.319 4.197 1.00 0.00 O ATOM 0 H GLU A 96 21.235 -1.160 1.424 1.00 0.00 H new ATOM 0 HA GLU A 96 23.617 0.296 0.897 1.00 0.00 H new ATOM 0 HB2 GLU A 96 22.922 -1.772 3.019 1.00 0.00 H new ATOM 0 HB3 GLU A 96 24.347 -0.753 3.050 1.00 0.00 H new ATOM 0 HG2 GLU A 96 21.484 0.260 3.093 1.00 0.00 H new ATOM 0 HG3 GLU A 96 22.505 0.076 4.504 1.00 0.00 H new ATOM 1426 N LYS A 97 25.093 -1.278 -0.283 1.00 0.00 N ATOM 1427 CA LYS A 97 26.042 -2.164 -0.947 1.00 0.00 C ATOM 1428 C LYS A 97 27.205 -2.508 -0.023 1.00 0.00 C ATOM 1429 O LYS A 97 27.307 -1.887 1.055 1.00 0.00 O ATOM 1430 CB LYS A 97 26.562 -1.514 -2.230 1.00 0.00 C ATOM 1431 CG LYS A 97 25.477 -1.257 -3.264 1.00 0.00 C ATOM 1432 CD LYS A 97 24.846 -2.556 -3.744 1.00 0.00 C ATOM 1433 CE LYS A 97 23.736 -2.298 -4.750 1.00 0.00 C ATOM 1434 NZ LYS A 97 24.227 -1.543 -5.936 1.00 0.00 N ATOM 1435 OXT LYS A 97 28.003 -3.398 -0.386 1.00 0.00 O ATOM 0 H LYS A 97 25.189 -0.294 -0.535 1.00 0.00 H new ATOM 0 HA LYS A 97 25.524 -3.089 -1.202 1.00 0.00 H new ATOM 0 HB2 LYS A 97 27.045 -0.569 -1.979 1.00 0.00 H new ATOM 0 HB3 LYS A 97 27.326 -2.156 -2.669 1.00 0.00 H new ATOM 0 HG2 LYS A 97 24.708 -0.615 -2.834 1.00 0.00 H new ATOM 0 HG3 LYS A 97 25.902 -0.722 -4.113 1.00 0.00 H new ATOM 0 HD2 LYS A 97 25.610 -3.187 -4.198 1.00 0.00 H new ATOM 0 HD3 LYS A 97 24.445 -3.104 -2.891 1.00 0.00 H new ATOM 0 HE2 LYS A 97 23.312 -3.248 -5.074 1.00 0.00 H new ATOM 0 HE3 LYS A 97 22.933 -1.738 -4.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 23.518 -1.591 -6.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 24.386 -0.549 -5.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 25.120 -1.961 -6.268 1.00 0.00 H new TER 1449 LYS A 97