USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 451 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 48 THR OG1 : rot 117:sc= 0.175 USER MOD Set 1.2: A 50 THR OG1 : rot -127:sc= 0.165 USER MOD Set 2.1: A 31 GLN : amide:sc= 0.998 K(o=-1.4,f=-5.5!) USER MOD Set 2.2: A 33 TYR OH : rot 59:sc= -2.42! USER MOD Set 3.1: A 8 TYR OH : rot -54:sc= -5.12! USER MOD Set 3.2: A 16 TYR OH : rot 128:sc= -0.932! USER MOD Single : A 1 ASP N :NH3+ -121:sc= 0.0488 (180deg=0.0275) USER MOD Single : A 2 SER OG : rot 111:sc= -4.25! USER MOD Single : A 4 MET CE :methyl -153:sc= -0.572 (180deg=-2.52!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -166:sc= -0.0107 (180deg=-0.205) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.369 X(o=-0.37,f=-0.66) USER MOD Single : A 35 ASN : amide:sc= -6.49! C(o=-6.5!,f=-18!) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= 0.127 K(o=0.13,f=-0.89) USER MOD Single : A 43 ASN : amide:sc= -2.5! C(o=-2.5!,f=-7.9!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 49 ASN : amide:sc=-0.00794 K(o=-0.0079,f=-1.6!) USER MOD Single : A 51 HIS :FLIP no HD1:sc= -2.32 F(o=-3.2!,f=-2.3) USER MOD Single : A 54 SER OG : rot 180:sc=-0.00541 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 0.461 -29.870 0.508 1.00 0.00 N ATOM 2 CA ASP A 1 0.480 -28.563 1.222 1.00 0.00 C ATOM 3 C ASP A 1 1.929 -28.156 1.502 1.00 0.00 C ATOM 4 O ASP A 1 2.847 -28.931 1.320 1.00 0.00 O ATOM 5 CB ASP A 1 -0.276 -28.695 2.545 1.00 0.00 C ATOM 6 CG ASP A 1 -1.739 -29.046 2.266 1.00 0.00 C ATOM 7 OD1 ASP A 1 -2.155 -28.902 1.128 1.00 0.00 O ATOM 8 OD2 ASP A 1 -2.417 -29.453 3.194 1.00 0.00 O ATOM 0 H1 ASP A 1 -0.018 -29.758 -0.408 1.00 0.00 H new ATOM 0 H2 ASP A 1 1.437 -30.194 0.351 1.00 0.00 H new ATOM 0 H3 ASP A 1 -0.049 -30.572 1.082 1.00 0.00 H new ATOM 0 HA ASP A 1 0.002 -27.804 0.603 1.00 0.00 H new ATOM 0 HB2 ASP A 1 0.183 -29.467 3.162 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -0.216 -27.762 3.105 1.00 0.00 H new ATOM 15 N SER A 2 2.141 -26.946 1.944 1.00 0.00 N ATOM 16 CA SER A 2 3.531 -26.494 2.237 1.00 0.00 C ATOM 17 C SER A 2 4.264 -27.586 3.015 1.00 0.00 C ATOM 18 O SER A 2 5.451 -27.790 2.855 1.00 0.00 O ATOM 19 CB SER A 2 3.485 -25.216 3.076 1.00 0.00 C ATOM 20 OG SER A 2 3.405 -24.087 2.220 1.00 0.00 O ATOM 0 H SER A 2 1.413 -26.252 2.115 1.00 0.00 H new ATOM 0 HA SER A 2 4.055 -26.296 1.302 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.625 -25.239 3.745 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.375 -25.148 3.702 1.00 0.00 H new ATOM 0 HG SER A 2 2.521 -23.673 2.307 1.00 0.00 H new ATOM 26 N GLU A 3 3.560 -28.297 3.851 1.00 0.00 N ATOM 27 CA GLU A 3 4.204 -29.383 4.636 1.00 0.00 C ATOM 28 C GLU A 3 5.051 -30.224 3.689 1.00 0.00 C ATOM 29 O GLU A 3 6.079 -30.757 4.056 1.00 0.00 O ATOM 30 CB GLU A 3 3.123 -30.258 5.272 1.00 0.00 C ATOM 31 CG GLU A 3 2.688 -29.645 6.606 1.00 0.00 C ATOM 32 CD GLU A 3 1.739 -30.606 7.325 1.00 0.00 C ATOM 33 OE1 GLU A 3 1.635 -31.741 6.889 1.00 0.00 O ATOM 34 OE2 GLU A 3 1.133 -30.191 8.300 1.00 0.00 O ATOM 0 H GLU A 3 2.563 -28.171 4.024 1.00 0.00 H new ATOM 0 HA GLU A 3 4.830 -28.961 5.422 1.00 0.00 H new ATOM 0 HB2 GLU A 3 2.267 -30.342 4.602 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.504 -31.267 5.430 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.560 -29.445 7.228 1.00 0.00 H new ATOM 0 HG3 GLU A 3 2.193 -28.689 6.435 1.00 0.00 H new ATOM 41 N MET A 4 4.625 -30.333 2.464 1.00 0.00 N ATOM 42 CA MET A 4 5.400 -31.126 1.471 1.00 0.00 C ATOM 43 C MET A 4 6.602 -30.300 1.015 1.00 0.00 C ATOM 44 O MET A 4 7.655 -30.826 0.714 1.00 0.00 O ATOM 45 CB MET A 4 4.514 -31.449 0.267 1.00 0.00 C ATOM 46 CG MET A 4 3.273 -32.213 0.736 1.00 0.00 C ATOM 47 SD MET A 4 3.769 -33.819 1.407 1.00 0.00 S ATOM 48 CE MET A 4 4.713 -34.384 -0.030 1.00 0.00 C ATOM 0 H MET A 4 3.771 -29.906 2.106 1.00 0.00 H new ATOM 0 HA MET A 4 5.739 -32.058 1.923 1.00 0.00 H new ATOM 0 HB2 MET A 4 4.219 -30.529 -0.238 1.00 0.00 H new ATOM 0 HB3 MET A 4 5.069 -32.045 -0.457 1.00 0.00 H new ATOM 0 HG2 MET A 4 2.744 -31.637 1.496 1.00 0.00 H new ATOM 0 HG3 MET A 4 2.583 -32.352 -0.096 1.00 0.00 H new ATOM 0 HE1 MET A 4 4.709 -35.474 -0.062 1.00 0.00 H new ATOM 0 HE2 MET A 4 4.259 -33.993 -0.940 1.00 0.00 H new ATOM 0 HE3 MET A 4 5.740 -34.027 0.046 1.00 0.00 H new ATOM 58 N CYS A 5 6.453 -29.004 0.971 1.00 0.00 N ATOM 59 CA CYS A 5 7.584 -28.136 0.547 1.00 0.00 C ATOM 60 C CYS A 5 8.517 -27.906 1.739 1.00 0.00 C ATOM 61 O CYS A 5 9.474 -27.163 1.658 1.00 0.00 O ATOM 62 CB CYS A 5 7.042 -26.791 0.059 1.00 0.00 C ATOM 63 SG CYS A 5 5.512 -27.061 -0.872 1.00 0.00 S ATOM 0 H CYS A 5 5.594 -28.509 1.211 1.00 0.00 H new ATOM 0 HA CYS A 5 8.132 -28.620 -0.261 1.00 0.00 H new ATOM 0 HB2 CYS A 5 6.853 -26.133 0.907 1.00 0.00 H new ATOM 0 HB3 CYS A 5 7.781 -26.295 -0.570 1.00 0.00 H new ATOM 68 N LYS A 6 8.241 -28.536 2.848 1.00 0.00 N ATOM 69 CA LYS A 6 9.111 -28.351 4.042 1.00 0.00 C ATOM 70 C LYS A 6 10.521 -28.861 3.737 1.00 0.00 C ATOM 71 O LYS A 6 11.494 -28.391 4.293 1.00 0.00 O ATOM 72 CB LYS A 6 8.531 -29.136 5.218 1.00 0.00 C ATOM 73 CG LYS A 6 7.485 -28.279 5.930 1.00 0.00 C ATOM 74 CD LYS A 6 7.208 -28.856 7.319 1.00 0.00 C ATOM 75 CE LYS A 6 5.854 -28.352 7.819 1.00 0.00 C ATOM 76 NZ LYS A 6 6.051 -27.537 9.053 1.00 0.00 N ATOM 0 H LYS A 6 7.452 -29.169 2.978 1.00 0.00 H new ATOM 0 HA LYS A 6 9.157 -27.292 4.295 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.079 -30.063 4.864 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.325 -29.413 5.912 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.839 -27.252 6.016 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.565 -28.251 5.347 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.211 -29.945 7.279 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.996 -28.560 8.011 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.370 -27.753 7.048 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.195 -29.195 8.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.130 -27.194 9.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.496 -28.123 9.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.665 -26.725 8.839 1.00 0.00 H new ATOM 90 N ASP A 7 10.641 -29.821 2.862 1.00 0.00 N ATOM 91 CA ASP A 7 11.993 -30.356 2.534 1.00 0.00 C ATOM 92 C ASP A 7 12.044 -30.797 1.068 1.00 0.00 C ATOM 93 O ASP A 7 12.156 -31.969 0.768 1.00 0.00 O ATOM 94 CB ASP A 7 12.297 -31.556 3.434 1.00 0.00 C ATOM 95 CG ASP A 7 13.636 -32.173 3.026 1.00 0.00 C ATOM 96 OD1 ASP A 7 14.650 -31.732 3.541 1.00 0.00 O ATOM 97 OD2 ASP A 7 13.624 -33.077 2.207 1.00 0.00 O ATOM 0 H ASP A 7 9.866 -30.256 2.362 1.00 0.00 H new ATOM 0 HA ASP A 7 12.734 -29.573 2.698 1.00 0.00 H new ATOM 0 HB2 ASP A 7 12.332 -31.242 4.477 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.502 -32.297 3.351 1.00 0.00 H new ATOM 102 N TYR A 8 11.978 -29.870 0.151 1.00 0.00 N ATOM 103 CA TYR A 8 12.038 -30.246 -1.291 1.00 0.00 C ATOM 104 C TYR A 8 13.134 -29.432 -1.983 1.00 0.00 C ATOM 105 O TYR A 8 13.827 -28.652 -1.361 1.00 0.00 O ATOM 106 CB TYR A 8 10.686 -29.968 -1.959 1.00 0.00 C ATOM 107 CG TYR A 8 10.515 -28.481 -2.169 1.00 0.00 C ATOM 108 CD1 TYR A 8 10.180 -27.660 -1.088 1.00 0.00 C ATOM 109 CD2 TYR A 8 10.690 -27.925 -3.443 1.00 0.00 C ATOM 110 CE1 TYR A 8 10.018 -26.282 -1.277 1.00 0.00 C ATOM 111 CE2 TYR A 8 10.529 -26.547 -3.632 1.00 0.00 C ATOM 112 CZ TYR A 8 10.193 -25.726 -2.550 1.00 0.00 C ATOM 113 OH TYR A 8 10.036 -24.367 -2.737 1.00 0.00 O ATOM 0 H TYR A 8 11.885 -28.871 0.337 1.00 0.00 H new ATOM 0 HA TYR A 8 12.265 -31.309 -1.378 1.00 0.00 H new ATOM 0 HB2 TYR A 8 10.628 -30.489 -2.915 1.00 0.00 H new ATOM 0 HB3 TYR A 8 9.877 -30.352 -1.338 1.00 0.00 H new ATOM 0 HD1 TYR A 8 10.046 -28.089 -0.106 1.00 0.00 H new ATOM 0 HD2 TYR A 8 10.949 -28.559 -4.278 1.00 0.00 H new ATOM 0 HE1 TYR A 8 9.758 -25.649 -0.442 1.00 0.00 H new ATOM 0 HE2 TYR A 8 10.664 -26.118 -4.614 1.00 0.00 H new ATOM 0 HH TYR A 8 9.156 -24.091 -2.406 1.00 0.00 H new ATOM 123 N ARG A 9 13.294 -29.604 -3.265 1.00 0.00 N ATOM 124 CA ARG A 9 14.343 -28.838 -3.996 1.00 0.00 C ATOM 125 C ARG A 9 13.963 -28.744 -5.475 1.00 0.00 C ATOM 126 O ARG A 9 13.373 -29.647 -6.032 1.00 0.00 O ATOM 127 CB ARG A 9 15.690 -29.551 -3.856 1.00 0.00 C ATOM 128 CG ARG A 9 15.644 -30.882 -4.610 1.00 0.00 C ATOM 129 CD ARG A 9 16.932 -31.664 -4.340 1.00 0.00 C ATOM 130 NE ARG A 9 16.968 -32.875 -5.207 1.00 0.00 N ATOM 131 CZ ARG A 9 15.928 -33.662 -5.277 1.00 0.00 C ATOM 132 NH1 ARG A 9 15.842 -34.701 -4.491 1.00 0.00 N ATOM 133 NH2 ARG A 9 14.974 -33.407 -6.130 1.00 0.00 N ATOM 0 H ARG A 9 12.744 -30.242 -3.839 1.00 0.00 H new ATOM 0 HA ARG A 9 14.422 -27.835 -3.576 1.00 0.00 H new ATOM 0 HB2 ARG A 9 16.488 -28.924 -4.252 1.00 0.00 H new ATOM 0 HB3 ARG A 9 15.914 -29.725 -2.803 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.779 -31.463 -4.291 1.00 0.00 H new ATOM 0 HG3 ARG A 9 15.531 -30.703 -5.679 1.00 0.00 H new ATOM 0 HD2 ARG A 9 17.800 -31.036 -4.538 1.00 0.00 H new ATOM 0 HD3 ARG A 9 16.981 -31.953 -3.290 1.00 0.00 H new ATOM 0 HE ARG A 9 17.806 -33.090 -5.747 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.587 -34.898 -3.823 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.030 -35.316 -4.545 1.00 0.00 H new ATOM 0 HH21 ARG A 9 15.041 -32.593 -6.742 1.00 0.00 H new ATOM 0 HH22 ARG A 9 14.162 -34.021 -6.185 1.00 0.00 H new ATOM 147 N VAL A 10 14.293 -27.656 -6.115 1.00 0.00 N ATOM 148 CA VAL A 10 13.944 -27.507 -7.556 1.00 0.00 C ATOM 149 C VAL A 10 15.179 -27.062 -8.343 1.00 0.00 C ATOM 150 O VAL A 10 15.912 -26.187 -7.927 1.00 0.00 O ATOM 151 CB VAL A 10 12.841 -26.458 -7.704 1.00 0.00 C ATOM 152 CG1 VAL A 10 12.603 -26.176 -9.189 1.00 0.00 C ATOM 153 CG2 VAL A 10 11.550 -26.982 -7.072 1.00 0.00 C ATOM 0 H VAL A 10 14.788 -26.865 -5.703 1.00 0.00 H new ATOM 0 HA VAL A 10 13.595 -28.464 -7.945 1.00 0.00 H new ATOM 0 HB VAL A 10 13.144 -25.539 -7.202 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.817 -25.428 -9.296 1.00 0.00 H new ATOM 0 HG12 VAL A 10 13.522 -25.803 -9.640 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.300 -27.095 -9.690 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.764 -26.234 -7.177 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.246 -27.901 -7.573 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.719 -27.184 -6.014 1.00 0.00 H new ATOM 163 N LEU A 11 15.411 -27.657 -9.481 1.00 0.00 N ATOM 164 CA LEU A 11 16.593 -27.271 -10.301 1.00 0.00 C ATOM 165 C LEU A 11 16.119 -26.533 -11.554 1.00 0.00 C ATOM 166 O LEU A 11 14.934 -26.410 -11.799 1.00 0.00 O ATOM 167 CB LEU A 11 17.361 -28.530 -10.707 1.00 0.00 C ATOM 168 CG LEU A 11 18.695 -28.575 -9.959 1.00 0.00 C ATOM 169 CD1 LEU A 11 18.520 -29.342 -8.647 1.00 0.00 C ATOM 170 CD2 LEU A 11 19.740 -29.279 -10.825 1.00 0.00 C ATOM 0 H LEU A 11 14.831 -28.396 -9.879 1.00 0.00 H new ATOM 0 HA LEU A 11 17.246 -26.619 -9.721 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.773 -29.418 -10.477 1.00 0.00 H new ATOM 0 HB3 LEU A 11 17.535 -28.532 -11.783 1.00 0.00 H new ATOM 0 HG LEU A 11 19.025 -27.559 -9.744 1.00 0.00 H new ATOM 0 HD11 LEU A 11 19.471 -29.374 -8.115 1.00 0.00 H new ATOM 0 HD12 LEU A 11 17.775 -28.841 -8.029 1.00 0.00 H new ATOM 0 HD13 LEU A 11 18.190 -30.359 -8.861 1.00 0.00 H new ATOM 0 HD21 LEU A 11 20.691 -29.312 -10.293 1.00 0.00 H new ATOM 0 HD22 LEU A 11 19.409 -30.295 -11.040 1.00 0.00 H new ATOM 0 HD23 LEU A 11 19.866 -28.733 -11.760 1.00 0.00 H new ATOM 182 N PRO A 12 17.064 -26.030 -12.363 1.00 0.00 N ATOM 183 CA PRO A 12 16.743 -25.301 -13.597 1.00 0.00 C ATOM 184 C PRO A 12 16.123 -26.217 -14.654 1.00 0.00 C ATOM 185 O PRO A 12 15.400 -25.777 -15.526 1.00 0.00 O ATOM 186 CB PRO A 12 18.103 -24.790 -14.075 1.00 0.00 C ATOM 187 CG PRO A 12 19.086 -25.737 -13.475 1.00 0.00 C ATOM 188 CD PRO A 12 18.517 -26.134 -12.143 1.00 0.00 C ATOM 0 HA PRO A 12 16.013 -24.510 -13.427 1.00 0.00 H new ATOM 0 HB2 PRO A 12 18.167 -24.788 -15.163 1.00 0.00 H new ATOM 0 HB3 PRO A 12 18.283 -23.767 -13.743 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.228 -26.608 -14.114 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.061 -25.265 -13.358 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.812 -27.145 -11.863 1.00 0.00 H new ATOM 0 HD3 PRO A 12 18.854 -25.471 -11.346 1.00 0.00 H new ATOM 196 N ARG A 13 16.398 -27.491 -14.581 1.00 0.00 N ATOM 197 CA ARG A 13 15.823 -28.436 -15.577 1.00 0.00 C ATOM 198 C ARG A 13 14.553 -29.067 -15.005 1.00 0.00 C ATOM 199 O ARG A 13 13.631 -29.394 -15.724 1.00 0.00 O ATOM 200 CB ARG A 13 16.842 -29.534 -15.885 1.00 0.00 C ATOM 201 CG ARG A 13 18.046 -28.926 -16.609 1.00 0.00 C ATOM 202 CD ARG A 13 19.045 -30.032 -16.954 1.00 0.00 C ATOM 203 NE ARG A 13 18.459 -30.928 -17.989 1.00 0.00 N ATOM 204 CZ ARG A 13 19.093 -31.132 -19.111 1.00 0.00 C ATOM 205 NH1 ARG A 13 19.641 -30.131 -19.742 1.00 0.00 N ATOM 206 NH2 ARG A 13 19.181 -32.339 -19.601 1.00 0.00 N ATOM 0 H ARG A 13 16.997 -27.917 -13.874 1.00 0.00 H new ATOM 0 HA ARG A 13 15.581 -27.897 -16.493 1.00 0.00 H new ATOM 0 HB2 ARG A 13 17.165 -30.015 -14.961 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.384 -30.306 -16.503 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.720 -28.419 -17.517 1.00 0.00 H new ATOM 0 HG3 ARG A 13 18.522 -28.175 -15.978 1.00 0.00 H new ATOM 0 HD2 ARG A 13 19.974 -29.596 -17.320 1.00 0.00 H new ATOM 0 HD3 ARG A 13 19.292 -30.605 -16.060 1.00 0.00 H new ATOM 0 HE ARG A 13 17.561 -31.383 -17.821 1.00 0.00 H new ATOM 0 HH11 ARG A 13 19.574 -29.188 -19.358 1.00 0.00 H new ATOM 0 HH12 ARG A 13 20.137 -30.291 -20.619 1.00 0.00 H new ATOM 0 HH21 ARG A 13 18.754 -33.122 -19.107 1.00 0.00 H new ATOM 0 HH22 ARG A 13 19.677 -32.498 -20.478 1.00 0.00 H new ATOM 220 N ILE A 14 14.499 -29.236 -13.713 1.00 0.00 N ATOM 221 CA ILE A 14 13.289 -29.843 -13.090 1.00 0.00 C ATOM 222 C ILE A 14 12.203 -28.775 -12.938 1.00 0.00 C ATOM 223 O ILE A 14 11.066 -28.975 -13.314 1.00 0.00 O ATOM 224 CB ILE A 14 13.649 -30.400 -11.711 1.00 0.00 C ATOM 225 CG1 ILE A 14 14.732 -31.471 -11.858 1.00 0.00 C ATOM 226 CG2 ILE A 14 12.405 -31.017 -11.071 1.00 0.00 C ATOM 227 CD1 ILE A 14 15.268 -31.845 -10.476 1.00 0.00 C ATOM 0 H ILE A 14 15.241 -28.980 -13.061 1.00 0.00 H new ATOM 0 HA ILE A 14 12.921 -30.650 -13.724 1.00 0.00 H new ATOM 0 HB ILE A 14 14.021 -29.593 -11.080 1.00 0.00 H new ATOM 0 HG12 ILE A 14 14.323 -32.352 -12.352 1.00 0.00 H new ATOM 0 HG13 ILE A 14 15.542 -31.101 -12.486 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.660 -31.414 -10.089 1.00 0.00 H new ATOM 0 HG22 ILE A 14 11.634 -30.254 -10.965 1.00 0.00 H new ATOM 0 HG23 ILE A 14 12.033 -31.823 -11.703 1.00 0.00 H new ATOM 0 HD11 ILE A 14 16.040 -32.608 -10.579 1.00 0.00 H new ATOM 0 HD12 ILE A 14 15.693 -30.962 -9.999 1.00 0.00 H new ATOM 0 HD13 ILE A 14 14.454 -32.233 -9.863 1.00 0.00 H new ATOM 239 N GLY A 15 12.547 -27.643 -12.388 1.00 0.00 N ATOM 240 CA GLY A 15 11.535 -26.562 -12.210 1.00 0.00 C ATOM 241 C GLY A 15 10.550 -26.961 -11.111 1.00 0.00 C ATOM 242 O GLY A 15 10.720 -27.964 -10.446 1.00 0.00 O ATOM 0 H GLY A 15 13.484 -27.419 -12.054 1.00 0.00 H new ATOM 0 HA2 GLY A 15 12.029 -25.626 -11.948 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.002 -26.390 -13.145 1.00 0.00 H new ATOM 246 N TYR A 16 9.520 -26.185 -10.914 1.00 0.00 N ATOM 247 CA TYR A 16 8.526 -26.524 -9.856 1.00 0.00 C ATOM 248 C TYR A 16 7.316 -27.212 -10.490 1.00 0.00 C ATOM 249 O TYR A 16 6.938 -26.918 -11.607 1.00 0.00 O ATOM 250 CB TYR A 16 8.073 -25.245 -9.150 1.00 0.00 C ATOM 251 CG TYR A 16 7.928 -25.516 -7.673 1.00 0.00 C ATOM 252 CD1 TYR A 16 6.960 -26.420 -7.219 1.00 0.00 C ATOM 253 CD2 TYR A 16 8.762 -24.864 -6.757 1.00 0.00 C ATOM 254 CE1 TYR A 16 6.827 -26.672 -5.849 1.00 0.00 C ATOM 255 CE2 TYR A 16 8.629 -25.117 -5.387 1.00 0.00 C ATOM 256 CZ TYR A 16 7.662 -26.021 -4.933 1.00 0.00 C ATOM 257 OH TYR A 16 7.532 -26.272 -3.582 1.00 0.00 O ATOM 0 H TYR A 16 9.324 -25.333 -11.438 1.00 0.00 H new ATOM 0 HA TYR A 16 8.986 -27.196 -9.131 1.00 0.00 H new ATOM 0 HB2 TYR A 16 8.798 -24.448 -9.316 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.124 -24.904 -9.564 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.316 -26.923 -7.926 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.508 -24.166 -7.107 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.080 -27.369 -5.498 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.273 -24.615 -4.680 1.00 0.00 H new ATOM 0 HH TYR A 16 8.406 -26.511 -3.208 1.00 0.00 H new ATOM 267 N LEU A 17 6.708 -28.129 -9.789 1.00 0.00 N ATOM 268 CA LEU A 17 5.525 -28.836 -10.355 1.00 0.00 C ATOM 269 C LEU A 17 4.275 -28.489 -9.542 1.00 0.00 C ATOM 270 O LEU A 17 4.124 -28.904 -8.410 1.00 0.00 O ATOM 271 CB LEU A 17 5.762 -30.347 -10.304 1.00 0.00 C ATOM 272 CG LEU A 17 4.563 -31.071 -10.919 1.00 0.00 C ATOM 273 CD1 LEU A 17 4.586 -30.893 -12.438 1.00 0.00 C ATOM 274 CD2 LEU A 17 4.635 -32.560 -10.577 1.00 0.00 C ATOM 0 H LEU A 17 6.979 -28.419 -8.849 1.00 0.00 H new ATOM 0 HA LEU A 17 5.380 -28.523 -11.389 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.672 -30.602 -10.847 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.905 -30.669 -9.273 1.00 0.00 H new ATOM 0 HG LEU A 17 3.640 -30.652 -10.518 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.732 -31.408 -12.878 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.534 -29.832 -12.681 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.509 -31.312 -12.839 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.781 -33.076 -11.015 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.557 -32.981 -10.977 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.618 -32.686 -9.494 1.00 0.00 H new ATOM 286 N CYS A 18 3.375 -27.738 -10.116 1.00 0.00 N ATOM 287 CA CYS A 18 2.131 -27.369 -9.383 1.00 0.00 C ATOM 288 C CYS A 18 0.918 -27.763 -10.227 1.00 0.00 C ATOM 289 O CYS A 18 0.997 -27.856 -11.437 1.00 0.00 O ATOM 290 CB CYS A 18 2.108 -25.860 -9.134 1.00 0.00 C ATOM 291 SG CYS A 18 3.639 -25.358 -8.310 1.00 0.00 S ATOM 0 H CYS A 18 3.448 -27.364 -11.062 1.00 0.00 H new ATOM 0 HA CYS A 18 2.102 -27.891 -8.427 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.000 -25.327 -10.079 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.248 -25.596 -8.518 1.00 0.00 H new ATOM 296 N PRO A 19 -0.227 -28.000 -9.573 1.00 0.00 N ATOM 297 CA PRO A 19 -1.462 -28.385 -10.263 1.00 0.00 C ATOM 298 C PRO A 19 -2.058 -27.215 -11.049 1.00 0.00 C ATOM 299 O PRO A 19 -1.683 -26.074 -10.864 1.00 0.00 O ATOM 300 CB PRO A 19 -2.400 -28.786 -9.126 1.00 0.00 C ATOM 301 CG PRO A 19 -1.893 -28.044 -7.934 1.00 0.00 C ATOM 302 CD PRO A 19 -0.405 -27.908 -8.115 1.00 0.00 C ATOM 0 HA PRO A 19 -1.295 -29.179 -10.991 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.432 -28.516 -9.351 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.381 -29.863 -8.959 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.365 -27.065 -7.857 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -2.124 -28.582 -7.015 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.038 -26.959 -7.725 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.137 -28.697 -7.594 1.00 0.00 H new ATOM 310 N LYS A 20 -2.982 -27.490 -11.926 1.00 0.00 N ATOM 311 CA LYS A 20 -3.597 -26.394 -12.725 1.00 0.00 C ATOM 312 C LYS A 20 -4.746 -25.769 -11.933 1.00 0.00 C ATOM 313 O LYS A 20 -5.124 -24.635 -12.159 1.00 0.00 O ATOM 314 CB LYS A 20 -4.130 -26.961 -14.042 1.00 0.00 C ATOM 315 CG LYS A 20 -2.967 -27.526 -14.860 1.00 0.00 C ATOM 316 CD LYS A 20 -3.482 -28.001 -16.221 1.00 0.00 C ATOM 317 CE LYS A 20 -2.345 -28.678 -16.988 1.00 0.00 C ATOM 318 NZ LYS A 20 -1.316 -27.663 -17.353 1.00 0.00 N ATOM 0 H LYS A 20 -3.338 -28.425 -12.124 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.847 -25.632 -12.936 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.863 -27.743 -13.844 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.641 -26.181 -14.606 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.200 -26.764 -14.996 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.502 -28.355 -14.326 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -4.309 -28.698 -16.086 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.867 -27.156 -16.791 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.897 -29.462 -16.378 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.733 -29.157 -17.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.672 -28.062 -18.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.783 -26.819 -17.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.773 -27.399 -16.506 1.00 0.00 H new ATOM 332 N ASP A 21 -5.304 -26.495 -11.006 1.00 0.00 N ATOM 333 CA ASP A 21 -6.426 -25.940 -10.199 1.00 0.00 C ATOM 334 C ASP A 21 -5.931 -24.732 -9.401 1.00 0.00 C ATOM 335 O ASP A 21 -4.932 -24.799 -8.713 1.00 0.00 O ATOM 336 CB ASP A 21 -6.936 -27.009 -9.233 1.00 0.00 C ATOM 337 CG ASP A 21 -7.454 -28.211 -10.025 1.00 0.00 C ATOM 338 OD1 ASP A 21 -7.627 -28.074 -11.226 1.00 0.00 O ATOM 339 OD2 ASP A 21 -7.671 -29.247 -9.418 1.00 0.00 O ATOM 0 H ASP A 21 -5.032 -27.450 -10.772 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.233 -25.633 -10.864 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.135 -27.320 -8.563 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.732 -26.601 -8.610 1.00 0.00 H new ATOM 344 N LEU A 22 -6.621 -23.627 -9.484 1.00 0.00 N ATOM 345 CA LEU A 22 -6.185 -22.422 -8.724 1.00 0.00 C ATOM 346 C LEU A 22 -6.714 -22.505 -7.293 1.00 0.00 C ATOM 347 O LEU A 22 -7.895 -22.678 -7.066 1.00 0.00 O ATOM 348 CB LEU A 22 -6.735 -21.162 -9.395 1.00 0.00 C ATOM 349 CG LEU A 22 -6.273 -19.930 -8.613 1.00 0.00 C ATOM 350 CD1 LEU A 22 -4.763 -20.010 -8.381 1.00 0.00 C ATOM 351 CD2 LEU A 22 -6.601 -18.667 -9.410 1.00 0.00 C ATOM 0 H LEU A 22 -7.465 -23.507 -10.044 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.096 -22.379 -8.711 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.387 -21.104 -10.426 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.824 -21.199 -9.428 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.787 -19.896 -7.652 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.433 -19.133 -7.824 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.529 -20.910 -7.812 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.249 -20.044 -9.341 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -6.272 -17.790 -8.853 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.088 -18.700 -10.371 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.677 -18.610 -9.575 1.00 0.00 H new ATOM 363 N LYS A 23 -5.851 -22.385 -6.324 1.00 0.00 N ATOM 364 CA LYS A 23 -6.306 -22.459 -4.907 1.00 0.00 C ATOM 365 C LYS A 23 -5.596 -21.379 -4.087 1.00 0.00 C ATOM 366 O LYS A 23 -4.475 -21.556 -3.653 1.00 0.00 O ATOM 367 CB LYS A 23 -5.968 -23.837 -4.338 1.00 0.00 C ATOM 368 CG LYS A 23 -7.194 -24.745 -4.442 1.00 0.00 C ATOM 369 CD LYS A 23 -7.965 -24.715 -3.122 1.00 0.00 C ATOM 370 CE LYS A 23 -9.351 -24.110 -3.355 1.00 0.00 C ATOM 371 NZ LYS A 23 -10.386 -24.987 -2.737 1.00 0.00 N ATOM 0 H LYS A 23 -4.850 -22.239 -6.451 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.383 -22.300 -4.860 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.132 -24.273 -4.884 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.656 -23.746 -3.297 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.836 -24.414 -5.258 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.886 -25.765 -4.672 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.060 -25.724 -2.721 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.420 -24.128 -2.383 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.401 -23.111 -2.923 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.539 -24.005 -4.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.328 -24.576 -2.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.343 -25.932 -3.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.209 -25.065 -1.715 1.00 0.00 H new ATOM 385 N PRO A 24 -6.268 -20.237 -3.871 1.00 0.00 N ATOM 386 CA PRO A 24 -5.709 -19.112 -3.106 1.00 0.00 C ATOM 387 C PRO A 24 -5.423 -19.495 -1.653 1.00 0.00 C ATOM 388 O PRO A 24 -6.303 -19.901 -0.922 1.00 0.00 O ATOM 389 CB PRO A 24 -6.811 -18.051 -3.178 1.00 0.00 C ATOM 390 CG PRO A 24 -8.053 -18.833 -3.428 1.00 0.00 C ATOM 391 CD PRO A 24 -7.635 -19.950 -4.339 1.00 0.00 C ATOM 0 HA PRO A 24 -4.753 -18.774 -3.507 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.878 -17.482 -2.250 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.623 -17.335 -3.978 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.470 -19.218 -2.498 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.822 -18.214 -3.890 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.288 -20.818 -4.246 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.652 -19.649 -5.387 1.00 0.00 H new ATOM 399 N VAL A 25 -4.193 -19.375 -1.232 1.00 0.00 N ATOM 400 CA VAL A 25 -3.848 -19.740 0.170 1.00 0.00 C ATOM 401 C VAL A 25 -3.241 -18.534 0.890 1.00 0.00 C ATOM 402 O VAL A 25 -2.675 -17.652 0.277 1.00 0.00 O ATOM 403 CB VAL A 25 -2.818 -20.869 0.167 1.00 0.00 C ATOM 404 CG1 VAL A 25 -3.302 -22.014 -0.723 1.00 0.00 C ATOM 405 CG2 VAL A 25 -1.488 -20.336 -0.371 1.00 0.00 C ATOM 0 H VAL A 25 -3.414 -19.040 -1.798 1.00 0.00 H new ATOM 0 HA VAL A 25 -4.756 -20.059 0.682 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.685 -21.238 1.184 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.562 -22.815 -0.720 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.250 -22.394 -0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.439 -21.650 -1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.750 -21.138 -0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.628 -19.967 -1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.138 -19.523 0.265 1.00 0.00 H new ATOM 415 N CYS A 26 -3.331 -18.509 2.190 1.00 0.00 N ATOM 416 CA CYS A 26 -2.735 -17.383 2.958 1.00 0.00 C ATOM 417 C CYS A 26 -1.371 -17.833 3.483 1.00 0.00 C ATOM 418 O CYS A 26 -1.195 -18.968 3.877 1.00 0.00 O ATOM 419 CB CYS A 26 -3.644 -17.013 4.135 1.00 0.00 C ATOM 420 SG CYS A 26 -2.816 -15.784 5.173 1.00 0.00 S ATOM 0 H CYS A 26 -3.793 -19.222 2.754 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.625 -16.509 2.316 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -4.590 -16.616 3.767 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -3.878 -17.902 4.721 1.00 0.00 H new ATOM 425 N GLY A 27 -0.398 -16.968 3.478 1.00 0.00 N ATOM 426 CA GLY A 27 0.953 -17.366 3.964 1.00 0.00 C ATOM 427 C GLY A 27 1.126 -16.944 5.424 1.00 0.00 C ATOM 428 O GLY A 27 0.765 -15.850 5.813 1.00 0.00 O ATOM 0 H GLY A 27 -0.478 -16.003 3.159 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.079 -18.445 3.871 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.722 -16.900 3.348 1.00 0.00 H new ATOM 432 N ASP A 28 1.682 -17.803 6.235 1.00 0.00 N ATOM 433 CA ASP A 28 1.885 -17.450 7.669 1.00 0.00 C ATOM 434 C ASP A 28 2.827 -16.248 7.773 1.00 0.00 C ATOM 435 O ASP A 28 2.964 -15.643 8.819 1.00 0.00 O ATOM 436 CB ASP A 28 2.497 -18.642 8.407 1.00 0.00 C ATOM 437 CG ASP A 28 3.868 -18.964 7.807 1.00 0.00 C ATOM 438 OD1 ASP A 28 4.327 -18.191 6.980 1.00 0.00 O ATOM 439 OD2 ASP A 28 4.435 -19.975 8.184 1.00 0.00 O ATOM 0 H ASP A 28 2.004 -18.733 5.967 1.00 0.00 H new ATOM 0 HA ASP A 28 0.925 -17.198 8.119 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.597 -18.414 9.468 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.841 -19.509 8.328 1.00 0.00 H new ATOM 444 N ASP A 29 3.478 -15.895 6.699 1.00 0.00 N ATOM 445 CA ASP A 29 4.409 -14.732 6.740 1.00 0.00 C ATOM 446 C ASP A 29 3.639 -13.447 6.428 1.00 0.00 C ATOM 447 O ASP A 29 4.218 -12.398 6.229 1.00 0.00 O ATOM 448 CB ASP A 29 5.515 -14.929 5.702 1.00 0.00 C ATOM 449 CG ASP A 29 6.509 -15.978 6.208 1.00 0.00 C ATOM 450 OD1 ASP A 29 6.239 -16.570 7.240 1.00 0.00 O ATOM 451 OD2 ASP A 29 7.521 -16.169 5.556 1.00 0.00 O ATOM 0 H ASP A 29 3.406 -16.361 5.795 1.00 0.00 H new ATOM 0 HA ASP A 29 4.851 -14.656 7.734 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.085 -15.248 4.753 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.028 -13.985 5.518 1.00 0.00 H new ATOM 456 N GLY A 30 2.336 -13.520 6.385 1.00 0.00 N ATOM 457 CA GLY A 30 1.532 -12.302 6.086 1.00 0.00 C ATOM 458 C GLY A 30 1.441 -12.106 4.571 1.00 0.00 C ATOM 459 O GLY A 30 1.087 -11.047 4.093 1.00 0.00 O ATOM 0 H GLY A 30 1.795 -14.370 6.544 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.533 -12.400 6.511 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.991 -11.428 6.549 1.00 0.00 H new ATOM 463 N GLN A 31 1.760 -13.119 3.813 1.00 0.00 N ATOM 464 CA GLN A 31 1.693 -12.992 2.330 1.00 0.00 C ATOM 465 C GLN A 31 0.667 -13.983 1.782 1.00 0.00 C ATOM 466 O GLN A 31 0.371 -14.981 2.400 1.00 0.00 O ATOM 467 CB GLN A 31 3.064 -13.304 1.730 1.00 0.00 C ATOM 468 CG GLN A 31 4.015 -12.134 1.987 1.00 0.00 C ATOM 469 CD GLN A 31 5.425 -12.514 1.530 1.00 0.00 C ATOM 470 OE1 GLN A 31 5.664 -13.638 1.134 1.00 0.00 O ATOM 471 NE2 GLN A 31 6.374 -11.620 1.568 1.00 0.00 N ATOM 0 H GLN A 31 2.064 -14.030 4.157 1.00 0.00 H new ATOM 0 HA GLN A 31 1.400 -11.976 2.065 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.466 -14.216 2.171 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.971 -13.482 0.659 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.673 -11.249 1.450 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.020 -11.882 3.047 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.173 -10.677 1.900 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.317 -11.864 1.265 1.00 0.00 H new ATOM 480 N THR A 32 0.124 -13.721 0.626 1.00 0.00 N ATOM 481 CA THR A 32 -0.879 -14.660 0.045 1.00 0.00 C ATOM 482 C THR A 32 -0.354 -15.209 -1.280 1.00 0.00 C ATOM 483 O THR A 32 0.370 -14.544 -1.996 1.00 0.00 O ATOM 484 CB THR A 32 -2.195 -13.917 -0.199 1.00 0.00 C ATOM 485 OG1 THR A 32 -2.573 -13.224 0.981 1.00 0.00 O ATOM 486 CG2 THR A 32 -3.282 -14.924 -0.575 1.00 0.00 C ATOM 0 H THR A 32 0.330 -12.899 0.058 1.00 0.00 H new ATOM 0 HA THR A 32 -1.049 -15.483 0.739 1.00 0.00 H new ATOM 0 HB THR A 32 -2.067 -13.201 -1.011 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.415 -12.747 0.825 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.221 -14.398 -0.749 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.989 -15.454 -1.481 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.412 -15.639 0.237 1.00 0.00 H new ATOM 494 N TYR A 33 -0.711 -16.418 -1.614 1.00 0.00 N ATOM 495 CA TYR A 33 -0.230 -17.008 -2.894 1.00 0.00 C ATOM 496 C TYR A 33 -1.418 -17.589 -3.661 1.00 0.00 C ATOM 497 O TYR A 33 -2.189 -18.366 -3.134 1.00 0.00 O ATOM 498 CB TYR A 33 0.781 -18.114 -2.593 1.00 0.00 C ATOM 499 CG TYR A 33 1.894 -17.551 -1.745 1.00 0.00 C ATOM 500 CD1 TYR A 33 2.923 -16.814 -2.340 1.00 0.00 C ATOM 501 CD2 TYR A 33 1.894 -17.764 -0.361 1.00 0.00 C ATOM 502 CE1 TYR A 33 3.954 -16.290 -1.552 1.00 0.00 C ATOM 503 CE2 TYR A 33 2.926 -17.240 0.427 1.00 0.00 C ATOM 504 CZ TYR A 33 3.956 -16.502 -0.168 1.00 0.00 C ATOM 505 OH TYR A 33 4.972 -15.987 0.609 1.00 0.00 O ATOM 0 H TYR A 33 -1.314 -17.022 -1.056 1.00 0.00 H new ATOM 0 HA TYR A 33 0.248 -16.237 -3.498 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.293 -18.938 -2.073 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.184 -18.518 -3.522 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.922 -16.649 -3.407 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.099 -18.332 0.098 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.749 -15.722 -2.012 1.00 0.00 H new ATOM 0 HE2 TYR A 33 2.927 -17.405 1.494 1.00 0.00 H new ATOM 0 HH TYR A 33 5.001 -15.013 0.506 1.00 0.00 H new ATOM 515 N ASN A 34 -1.573 -17.217 -4.902 1.00 0.00 N ATOM 516 CA ASN A 34 -2.715 -17.748 -5.696 1.00 0.00 C ATOM 517 C ASN A 34 -2.771 -19.270 -5.555 1.00 0.00 C ATOM 518 O ASN A 34 -3.577 -19.801 -4.822 1.00 0.00 O ATOM 519 CB ASN A 34 -2.549 -17.363 -7.170 1.00 0.00 C ATOM 520 CG ASN A 34 -2.019 -15.932 -7.269 1.00 0.00 C ATOM 521 OD1 ASN A 34 -2.455 -15.058 -6.545 1.00 0.00 O ATOM 522 ND2 ASN A 34 -1.090 -15.655 -8.139 1.00 0.00 N ATOM 0 H ASN A 34 -0.960 -16.570 -5.399 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.645 -17.319 -5.323 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.861 -18.051 -7.661 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.505 -17.444 -7.688 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.728 -14.704 -8.213 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.725 -16.389 -8.746 1.00 0.00 H new ATOM 529 N ASN A 35 -1.925 -19.978 -6.245 1.00 0.00 N ATOM 530 CA ASN A 35 -1.935 -21.466 -6.141 1.00 0.00 C ATOM 531 C ASN A 35 -1.152 -21.896 -4.897 1.00 0.00 C ATOM 532 O ASN A 35 -0.179 -21.271 -4.525 1.00 0.00 O ATOM 533 CB ASN A 35 -1.290 -22.056 -7.400 1.00 0.00 C ATOM 534 CG ASN A 35 -1.189 -23.577 -7.279 1.00 0.00 C ATOM 535 OD1 ASN A 35 -0.477 -24.086 -6.436 1.00 0.00 O ATOM 536 ND2 ASN A 35 -1.879 -24.329 -8.094 1.00 0.00 N ATOM 0 H ASN A 35 -1.225 -19.592 -6.878 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.959 -21.828 -6.055 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.880 -21.792 -8.277 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.298 -21.629 -7.543 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.821 -25.345 -8.023 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.476 -23.900 -8.801 1.00 0.00 H new ATOM 543 N PRO A 36 -1.578 -22.992 -4.244 1.00 0.00 N ATOM 544 CA PRO A 36 -0.904 -23.507 -3.044 1.00 0.00 C ATOM 545 C PRO A 36 0.522 -23.961 -3.355 1.00 0.00 C ATOM 546 O PRO A 36 1.464 -23.570 -2.694 1.00 0.00 O ATOM 547 CB PRO A 36 -1.773 -24.698 -2.630 1.00 0.00 C ATOM 548 CG PRO A 36 -2.455 -25.105 -3.890 1.00 0.00 C ATOM 549 CD PRO A 36 -2.739 -23.820 -4.613 1.00 0.00 C ATOM 0 HA PRO A 36 -0.807 -22.753 -2.263 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.170 -25.509 -2.223 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.492 -24.418 -1.860 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.822 -25.762 -4.487 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.375 -25.652 -3.682 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.809 -23.966 -5.691 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.678 -23.371 -4.291 1.00 0.00 H new ATOM 557 N CYS A 37 0.696 -24.764 -4.369 1.00 0.00 N ATOM 558 CA CYS A 37 2.069 -25.213 -4.724 1.00 0.00 C ATOM 559 C CYS A 37 2.888 -23.977 -5.104 1.00 0.00 C ATOM 560 O CYS A 37 4.092 -23.939 -4.945 1.00 0.00 O ATOM 561 CB CYS A 37 1.999 -26.182 -5.907 1.00 0.00 C ATOM 562 SG CYS A 37 3.655 -26.428 -6.597 1.00 0.00 S ATOM 0 H CYS A 37 -0.050 -25.126 -4.963 1.00 0.00 H new ATOM 0 HA CYS A 37 2.535 -25.725 -3.883 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.585 -27.137 -5.583 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.331 -25.788 -6.673 1.00 0.00 H new ATOM 567 N MET A 38 2.229 -22.960 -5.591 1.00 0.00 N ATOM 568 CA MET A 38 2.943 -21.711 -5.971 1.00 0.00 C ATOM 569 C MET A 38 3.435 -21.015 -4.702 1.00 0.00 C ATOM 570 O MET A 38 4.378 -20.249 -4.726 1.00 0.00 O ATOM 571 CB MET A 38 1.979 -20.789 -6.724 1.00 0.00 C ATOM 572 CG MET A 38 2.035 -21.106 -8.220 1.00 0.00 C ATOM 573 SD MET A 38 0.999 -19.929 -9.124 1.00 0.00 S ATOM 574 CE MET A 38 0.742 -20.943 -10.601 1.00 0.00 C ATOM 0 H MET A 38 1.220 -22.943 -5.742 1.00 0.00 H new ATOM 0 HA MET A 38 3.793 -21.946 -6.612 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.964 -20.923 -6.351 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.247 -19.746 -6.552 1.00 0.00 H new ATOM 0 HG2 MET A 38 3.064 -21.050 -8.576 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.690 -22.124 -8.400 1.00 0.00 H new ATOM 0 HE1 MET A 38 0.116 -20.401 -11.310 1.00 0.00 H new ATOM 0 HE2 MET A 38 1.704 -21.164 -11.062 1.00 0.00 H new ATOM 0 HE3 MET A 38 0.251 -21.875 -10.322 1.00 0.00 H new ATOM 584 N LEU A 39 2.807 -21.284 -3.590 1.00 0.00 N ATOM 585 CA LEU A 39 3.243 -20.649 -2.317 1.00 0.00 C ATOM 586 C LEU A 39 4.659 -21.116 -1.995 1.00 0.00 C ATOM 587 O LEU A 39 5.527 -20.326 -1.685 1.00 0.00 O ATOM 588 CB LEU A 39 2.295 -21.055 -1.187 1.00 0.00 C ATOM 589 CG LEU A 39 2.888 -20.626 0.155 1.00 0.00 C ATOM 590 CD1 LEU A 39 1.758 -20.313 1.139 1.00 0.00 C ATOM 591 CD2 LEU A 39 3.748 -21.758 0.714 1.00 0.00 C ATOM 0 H LEU A 39 2.011 -21.916 -3.509 1.00 0.00 H new ATOM 0 HA LEU A 39 3.226 -19.564 -2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.320 -20.590 -1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.138 -22.134 -1.199 1.00 0.00 H new ATOM 0 HG LEU A 39 3.501 -19.736 0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.183 -20.007 2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.142 -19.507 0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.144 -21.202 1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.172 -21.454 1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.133 -22.647 0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.554 -21.982 0.015 1.00 0.00 H new ATOM 603 N CYS A 40 4.905 -22.394 -2.084 1.00 0.00 N ATOM 604 CA CYS A 40 6.276 -22.897 -1.800 1.00 0.00 C ATOM 605 C CYS A 40 7.248 -22.177 -2.730 1.00 0.00 C ATOM 606 O CYS A 40 8.402 -21.975 -2.416 1.00 0.00 O ATOM 607 CB CYS A 40 6.338 -24.403 -2.052 1.00 0.00 C ATOM 608 SG CYS A 40 4.881 -25.199 -1.330 1.00 0.00 S ATOM 0 H CYS A 40 4.221 -23.106 -2.339 1.00 0.00 H new ATOM 0 HA CYS A 40 6.539 -22.708 -0.759 1.00 0.00 H new ATOM 0 HB2 CYS A 40 6.380 -24.601 -3.123 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.246 -24.818 -1.615 1.00 0.00 H new ATOM 613 N HIS A 41 6.780 -21.766 -3.873 1.00 0.00 N ATOM 614 CA HIS A 41 7.666 -21.038 -4.814 1.00 0.00 C ATOM 615 C HIS A 41 8.228 -19.818 -4.092 1.00 0.00 C ATOM 616 O HIS A 41 9.415 -19.561 -4.110 1.00 0.00 O ATOM 617 CB HIS A 41 6.853 -20.592 -6.025 1.00 0.00 C ATOM 618 CG HIS A 41 7.765 -20.419 -7.209 1.00 0.00 C ATOM 619 ND1 HIS A 41 8.440 -21.483 -7.785 1.00 0.00 N ATOM 620 CD2 HIS A 41 8.124 -19.310 -7.935 1.00 0.00 C ATOM 621 CE1 HIS A 41 9.165 -20.997 -8.809 1.00 0.00 C ATOM 622 NE2 HIS A 41 9.008 -19.678 -8.944 1.00 0.00 N ATOM 0 H HIS A 41 5.822 -21.904 -4.195 1.00 0.00 H new ATOM 0 HA HIS A 41 8.480 -21.681 -5.149 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.083 -21.330 -6.251 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.342 -19.654 -5.807 1.00 0.00 H new ATOM 0 HD1 HIS A 41 8.395 -22.457 -7.487 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.773 -18.305 -7.751 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.797 -21.600 -9.444 1.00 0.00 H new ATOM 630 N GLU A 42 7.379 -19.075 -3.438 1.00 0.00 N ATOM 631 CA GLU A 42 7.857 -17.884 -2.691 1.00 0.00 C ATOM 632 C GLU A 42 8.898 -18.337 -1.671 1.00 0.00 C ATOM 633 O GLU A 42 9.722 -17.565 -1.221 1.00 0.00 O ATOM 634 CB GLU A 42 6.683 -17.229 -1.963 1.00 0.00 C ATOM 635 CG GLU A 42 7.051 -15.790 -1.597 1.00 0.00 C ATOM 636 CD GLU A 42 7.216 -14.964 -2.874 1.00 0.00 C ATOM 637 OE1 GLU A 42 6.581 -15.300 -3.859 1.00 0.00 O ATOM 638 OE2 GLU A 42 7.974 -14.008 -2.844 1.00 0.00 O ATOM 0 H GLU A 42 6.374 -19.243 -3.390 1.00 0.00 H new ATOM 0 HA GLU A 42 8.296 -17.163 -3.381 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.796 -17.239 -2.597 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.438 -17.793 -1.063 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.275 -15.354 -0.967 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.976 -15.776 -1.020 1.00 0.00 H new ATOM 645 N ASN A 43 8.870 -19.591 -1.308 1.00 0.00 N ATOM 646 CA ASN A 43 9.869 -20.092 -0.318 1.00 0.00 C ATOM 647 C ASN A 43 11.214 -20.275 -1.021 1.00 0.00 C ATOM 648 O ASN A 43 12.263 -20.109 -0.432 1.00 0.00 O ATOM 649 CB ASN A 43 9.417 -21.432 0.268 1.00 0.00 C ATOM 650 CG ASN A 43 8.189 -21.222 1.157 1.00 0.00 C ATOM 651 OD1 ASN A 43 8.260 -21.397 2.357 1.00 0.00 O ATOM 652 ND2 ASN A 43 7.060 -20.854 0.619 1.00 0.00 N ATOM 0 H ASN A 43 8.206 -20.285 -1.650 1.00 0.00 H new ATOM 0 HA ASN A 43 9.962 -19.369 0.493 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.180 -22.129 -0.536 1.00 0.00 H new ATOM 0 HB3 ASN A 43 10.225 -21.877 0.848 1.00 0.00 H new ATOM 0 HD21 ASN A 43 6.237 -20.713 1.206 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.999 -20.707 -0.388 1.00 0.00 H new ATOM 659 N LEU A 44 11.191 -20.614 -2.281 1.00 0.00 N ATOM 660 CA LEU A 44 12.469 -20.804 -3.024 1.00 0.00 C ATOM 661 C LEU A 44 13.215 -19.471 -3.100 1.00 0.00 C ATOM 662 O LEU A 44 14.418 -19.413 -2.941 1.00 0.00 O ATOM 663 CB LEU A 44 12.168 -21.302 -4.439 1.00 0.00 C ATOM 664 CG LEU A 44 11.492 -22.674 -4.366 1.00 0.00 C ATOM 665 CD1 LEU A 44 11.290 -23.220 -5.782 1.00 0.00 C ATOM 666 CD2 LEU A 44 12.377 -23.636 -3.570 1.00 0.00 C ATOM 0 H LEU A 44 10.344 -20.767 -2.828 1.00 0.00 H new ATOM 0 HA LEU A 44 13.086 -21.538 -2.505 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.521 -20.593 -4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 44 13.090 -21.370 -5.016 1.00 0.00 H new ATOM 0 HG LEU A 44 10.525 -22.577 -3.873 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.809 -24.197 -5.730 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.660 -22.535 -6.350 1.00 0.00 H new ATOM 0 HD13 LEU A 44 12.257 -23.318 -6.276 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.897 -24.613 -3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.344 -23.733 -4.063 1.00 0.00 H new ATOM 0 HD23 LEU A 44 12.521 -23.248 -2.562 1.00 0.00 H new ATOM 678 N ILE A 45 12.512 -18.398 -3.339 1.00 0.00 N ATOM 679 CA ILE A 45 13.185 -17.071 -3.422 1.00 0.00 C ATOM 680 C ILE A 45 13.593 -16.620 -2.019 1.00 0.00 C ATOM 681 O ILE A 45 14.740 -16.310 -1.764 1.00 0.00 O ATOM 682 CB ILE A 45 12.223 -16.045 -4.023 1.00 0.00 C ATOM 683 CG1 ILE A 45 11.464 -16.677 -5.191 1.00 0.00 C ATOM 684 CG2 ILE A 45 13.017 -14.837 -4.524 1.00 0.00 C ATOM 685 CD1 ILE A 45 10.733 -15.584 -5.976 1.00 0.00 C ATOM 0 H ILE A 45 11.502 -18.383 -3.480 1.00 0.00 H new ATOM 0 HA ILE A 45 14.070 -17.153 -4.053 1.00 0.00 H new ATOM 0 HB ILE A 45 11.512 -15.724 -3.262 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.157 -17.207 -5.844 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.750 -17.412 -4.819 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.333 -14.105 -4.953 1.00 0.00 H new ATOM 0 HG22 ILE A 45 13.557 -14.386 -3.691 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.728 -15.159 -5.285 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.192 -16.034 -6.808 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.029 -15.073 -5.319 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.457 -14.866 -6.360 1.00 0.00 H new ATOM 697 N ARG A 46 12.662 -16.584 -1.105 1.00 0.00 N ATOM 698 CA ARG A 46 12.996 -16.154 0.282 1.00 0.00 C ATOM 699 C ARG A 46 13.851 -17.228 0.954 1.00 0.00 C ATOM 700 O ARG A 46 14.564 -16.965 1.902 1.00 0.00 O ATOM 701 CB ARG A 46 11.706 -15.958 1.083 1.00 0.00 C ATOM 702 CG ARG A 46 10.857 -14.867 0.428 1.00 0.00 C ATOM 703 CD ARG A 46 9.580 -14.660 1.244 1.00 0.00 C ATOM 704 NE ARG A 46 8.873 -15.963 1.398 1.00 0.00 N ATOM 705 CZ ARG A 46 7.779 -16.033 2.107 1.00 0.00 C ATOM 706 NH1 ARG A 46 7.569 -15.174 3.068 1.00 0.00 N ATOM 707 NH2 ARG A 46 6.896 -16.959 1.856 1.00 0.00 N ATOM 0 H ARG A 46 11.685 -16.834 -1.259 1.00 0.00 H new ATOM 0 HA ARG A 46 13.548 -15.215 0.247 1.00 0.00 H new ATOM 0 HB2 ARG A 46 11.146 -16.892 1.125 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.942 -15.681 2.111 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.421 -13.936 0.372 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.607 -15.150 -0.594 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.824 -14.248 2.223 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.931 -13.938 0.748 1.00 0.00 H new ATOM 0 HE ARG A 46 9.244 -16.800 0.949 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.259 -14.449 3.264 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.715 -15.228 3.622 1.00 0.00 H new ATOM 0 HH21 ARG A 46 7.060 -17.630 1.105 1.00 0.00 H new ATOM 0 HH22 ARG A 46 6.042 -17.013 2.411 1.00 0.00 H new ATOM 721 N GLN A 47 13.785 -18.439 0.473 1.00 0.00 N ATOM 722 CA GLN A 47 14.592 -19.531 1.085 1.00 0.00 C ATOM 723 C GLN A 47 14.143 -19.746 2.532 1.00 0.00 C ATOM 724 O GLN A 47 14.938 -20.037 3.404 1.00 0.00 O ATOM 725 CB GLN A 47 16.072 -19.148 1.061 1.00 0.00 C ATOM 726 CG GLN A 47 16.523 -18.949 -0.388 1.00 0.00 C ATOM 727 CD GLN A 47 17.999 -18.549 -0.413 1.00 0.00 C ATOM 728 OE1 GLN A 47 18.548 -18.146 0.593 1.00 0.00 O ATOM 729 NE2 GLN A 47 18.670 -18.643 -1.529 1.00 0.00 N ATOM 0 H GLN A 47 13.206 -18.719 -0.319 1.00 0.00 H new ATOM 0 HA GLN A 47 14.447 -20.451 0.519 1.00 0.00 H new ATOM 0 HB2 GLN A 47 16.231 -18.233 1.632 1.00 0.00 H new ATOM 0 HB3 GLN A 47 16.668 -19.928 1.535 1.00 0.00 H new ATOM 0 HG2 GLN A 47 16.375 -19.868 -0.956 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.918 -18.178 -0.866 1.00 0.00 H new ATOM 0 HE21 GLN A 47 18.210 -18.981 -2.374 1.00 0.00 H new ATOM 0 HE22 GLN A 47 19.655 -18.378 -1.556 1.00 0.00 H new ATOM 738 N THR A 48 12.872 -19.605 2.793 1.00 0.00 N ATOM 739 CA THR A 48 12.369 -19.801 4.181 1.00 0.00 C ATOM 740 C THR A 48 11.343 -20.936 4.194 1.00 0.00 C ATOM 741 O THR A 48 11.011 -21.497 3.168 1.00 0.00 O ATOM 742 CB THR A 48 11.709 -18.510 4.673 1.00 0.00 C ATOM 743 OG1 THR A 48 10.462 -18.338 4.015 1.00 0.00 O ATOM 744 CG2 THR A 48 12.619 -17.320 4.367 1.00 0.00 C ATOM 0 H THR A 48 12.160 -19.362 2.104 1.00 0.00 H new ATOM 0 HA THR A 48 13.201 -20.055 4.837 1.00 0.00 H new ATOM 0 HB THR A 48 11.547 -18.571 5.749 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.737 -18.369 4.674 1.00 0.00 H new ATOM 0 HG21 THR A 48 12.148 -16.402 4.718 1.00 0.00 H new ATOM 0 HG22 THR A 48 13.575 -17.453 4.873 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.784 -17.255 3.291 1.00 0.00 H new ATOM 752 N ASN A 49 10.836 -21.279 5.346 1.00 0.00 N ATOM 753 CA ASN A 49 9.832 -22.377 5.420 1.00 0.00 C ATOM 754 C ASN A 49 8.436 -21.782 5.614 1.00 0.00 C ATOM 755 O ASN A 49 7.742 -22.097 6.559 1.00 0.00 O ATOM 756 CB ASN A 49 10.165 -23.294 6.598 1.00 0.00 C ATOM 757 CG ASN A 49 11.491 -24.010 6.327 1.00 0.00 C ATOM 758 OD1 ASN A 49 11.960 -24.041 5.207 1.00 0.00 O ATOM 759 ND2 ASN A 49 12.118 -24.589 7.314 1.00 0.00 N ATOM 0 H ASN A 49 11.074 -20.847 6.239 1.00 0.00 H new ATOM 0 HA ASN A 49 9.855 -22.952 4.494 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.234 -22.712 7.517 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.368 -24.024 6.742 1.00 0.00 H new ATOM 0 HD21 ASN A 49 13.003 -25.068 7.145 1.00 0.00 H new ATOM 0 HD22 ASN A 49 11.724 -24.563 8.254 1.00 0.00 H new ATOM 766 N THR A 50 8.021 -20.922 4.724 1.00 0.00 N ATOM 767 CA THR A 50 6.669 -20.306 4.855 1.00 0.00 C ATOM 768 C THR A 50 5.602 -21.320 4.443 1.00 0.00 C ATOM 769 O THR A 50 5.673 -21.915 3.385 1.00 0.00 O ATOM 770 CB THR A 50 6.577 -19.081 3.943 1.00 0.00 C ATOM 771 OG1 THR A 50 7.609 -18.163 4.277 1.00 0.00 O ATOM 772 CG2 THR A 50 5.213 -18.409 4.126 1.00 0.00 C ATOM 0 H THR A 50 8.559 -20.619 3.912 1.00 0.00 H new ATOM 0 HA THR A 50 6.508 -20.007 5.891 1.00 0.00 H new ATOM 0 HB THR A 50 6.691 -19.391 2.904 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.220 -17.278 4.438 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.147 -17.536 3.476 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.423 -19.114 3.868 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.097 -18.098 5.164 1.00 0.00 H new ATOM 780 N HIS A 51 4.607 -21.516 5.262 1.00 0.00 N ATOM 781 CA HIS A 51 3.534 -22.484 4.908 1.00 0.00 C ATOM 782 C HIS A 51 2.214 -21.735 4.736 1.00 0.00 C ATOM 783 O HIS A 51 2.172 -20.518 4.725 1.00 0.00 O ATOM 784 CB HIS A 51 3.383 -23.524 6.018 1.00 0.00 C ATOM 785 CG HIS A 51 4.738 -23.876 6.568 1.00 0.00 C ATOM 786 ND1 HIS A 51 5.711 -24.737 6.125 1.00 0.00 N flip ATOM 787 CD2 HIS A 51 5.233 -23.312 7.733 1.00 0.00 C flip ATOM 788 CE1 HIS A 51 6.794 -24.711 6.999 1.00 0.00 C flip ATOM 789 NE2 HIS A 51 6.454 -23.836 7.950 1.00 0.00 N flip ATOM 0 H HIS A 51 4.491 -21.048 6.161 1.00 0.00 H new ATOM 0 HA HIS A 51 3.798 -22.987 3.978 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.747 -23.133 6.812 1.00 0.00 H new ATOM 0 HB3 HIS A 51 2.894 -24.417 5.629 1.00 0.00 H new ATOM 0 HD2 HIS A 51 4.731 -22.585 8.354 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.711 -25.276 6.925 1.00 0.00 H new ATOM 0 HE2 HIS A 51 7.047 -23.594 8.744 1.00 0.00 H new ATOM 797 N ILE A 52 1.133 -22.450 4.602 1.00 0.00 N ATOM 798 CA ILE A 52 -0.183 -21.781 4.429 1.00 0.00 C ATOM 799 C ILE A 52 -0.776 -21.448 5.797 1.00 0.00 C ATOM 800 O ILE A 52 -0.911 -22.299 6.653 1.00 0.00 O ATOM 801 CB ILE A 52 -1.137 -22.705 3.673 1.00 0.00 C ATOM 802 CG1 ILE A 52 -0.562 -23.008 2.286 1.00 0.00 C ATOM 803 CG2 ILE A 52 -2.494 -22.017 3.525 1.00 0.00 C ATOM 804 CD1 ILE A 52 -1.565 -23.838 1.486 1.00 0.00 C ATOM 0 H ILE A 52 1.105 -23.470 4.605 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.043 -20.861 3.861 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.259 -23.637 4.225 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.343 -22.078 1.761 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.379 -23.549 2.382 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.178 -22.673 2.986 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.902 -21.800 4.512 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.372 -21.086 2.971 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.155 -24.053 0.499 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.762 -24.774 2.009 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.495 -23.280 1.378 1.00 0.00 H new ATOM 816 N ARG A 53 -1.136 -20.215 6.004 1.00 0.00 N ATOM 817 CA ARG A 53 -1.728 -19.812 7.308 1.00 0.00 C ATOM 818 C ARG A 53 -3.208 -20.182 7.324 1.00 0.00 C ATOM 819 O ARG A 53 -3.730 -20.684 8.299 1.00 0.00 O ATOM 820 CB ARG A 53 -1.594 -18.299 7.473 1.00 0.00 C ATOM 821 CG ARG A 53 -2.154 -17.882 8.830 1.00 0.00 C ATOM 822 CD ARG A 53 -1.331 -18.532 9.944 1.00 0.00 C ATOM 823 NE ARG A 53 -1.870 -18.118 11.270 1.00 0.00 N ATOM 824 CZ ARG A 53 -1.067 -17.993 12.291 1.00 0.00 C ATOM 825 NH1 ARG A 53 -1.208 -18.767 13.331 1.00 0.00 N ATOM 826 NH2 ARG A 53 -0.122 -17.093 12.271 1.00 0.00 N ATOM 0 H ARG A 53 -1.045 -19.463 5.321 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.209 -20.322 8.119 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.547 -18.005 7.394 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.130 -17.787 6.674 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.126 -16.797 8.929 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -3.198 -18.183 8.912 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.365 -19.617 9.849 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.285 -18.237 9.857 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.867 -17.932 11.380 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.946 -19.471 13.347 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.580 -18.669 14.129 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -0.011 -16.488 11.458 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.506 -16.995 13.069 1.00 0.00 H new ATOM 840 N SER A 54 -3.884 -19.926 6.243 1.00 0.00 N ATOM 841 CA SER A 54 -5.333 -20.244 6.169 1.00 0.00 C ATOM 842 C SER A 54 -5.727 -20.456 4.707 1.00 0.00 C ATOM 843 O SER A 54 -5.306 -19.727 3.830 1.00 0.00 O ATOM 844 CB SER A 54 -6.132 -19.077 6.750 1.00 0.00 C ATOM 845 OG SER A 54 -6.269 -18.061 5.768 1.00 0.00 O ATOM 0 H SER A 54 -3.491 -19.506 5.400 1.00 0.00 H new ATOM 0 HA SER A 54 -5.544 -21.150 6.738 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.115 -19.420 7.073 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.628 -18.680 7.631 1.00 0.00 H new ATOM 0 HG SER A 54 -6.783 -17.314 6.140 1.00 0.00 H new ATOM 851 N THR A 55 -6.529 -21.447 4.432 1.00 0.00 N ATOM 852 CA THR A 55 -6.941 -21.697 3.024 1.00 0.00 C ATOM 853 C THR A 55 -7.636 -20.452 2.469 1.00 0.00 C ATOM 854 O THR A 55 -8.268 -19.708 3.190 1.00 0.00 O ATOM 855 CB THR A 55 -7.903 -22.885 2.971 1.00 0.00 C ATOM 856 OG1 THR A 55 -9.176 -22.482 3.456 1.00 0.00 O ATOM 857 CG2 THR A 55 -7.361 -24.023 3.838 1.00 0.00 C ATOM 0 H THR A 55 -6.916 -22.093 5.120 1.00 0.00 H new ATOM 0 HA THR A 55 -6.059 -21.921 2.424 1.00 0.00 H new ATOM 0 HB THR A 55 -7.998 -23.231 1.942 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.795 -23.241 3.421 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.048 -24.869 3.799 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.384 -24.331 3.465 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.264 -23.681 4.868 1.00 0.00 H new ATOM 865 N GLY A 56 -7.521 -20.221 1.190 1.00 0.00 N ATOM 866 CA GLY A 56 -8.171 -19.023 0.588 1.00 0.00 C ATOM 867 C GLY A 56 -7.263 -17.809 0.778 1.00 0.00 C ATOM 868 O GLY A 56 -6.326 -17.835 1.552 1.00 0.00 O ATOM 0 H GLY A 56 -7.005 -20.810 0.536 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.357 -19.190 -0.473 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.139 -18.845 1.057 1.00 0.00 H new ATOM 872 N LYS A 57 -7.533 -16.747 0.078 1.00 0.00 N ATOM 873 CA LYS A 57 -6.687 -15.530 0.217 1.00 0.00 C ATOM 874 C LYS A 57 -6.838 -14.967 1.629 1.00 0.00 C ATOM 875 O LYS A 57 -7.878 -15.089 2.248 1.00 0.00 O ATOM 876 CB LYS A 57 -7.129 -14.478 -0.802 1.00 0.00 C ATOM 877 CG LYS A 57 -6.268 -13.223 -0.648 1.00 0.00 C ATOM 878 CD LYS A 57 -6.709 -12.175 -1.671 1.00 0.00 C ATOM 879 CE LYS A 57 -5.684 -11.039 -1.712 1.00 0.00 C ATOM 880 NZ LYS A 57 -6.076 -9.981 -0.738 1.00 0.00 N ATOM 0 H LYS A 57 -8.303 -16.667 -0.586 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.644 -15.790 0.037 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.035 -14.874 -1.813 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.180 -14.231 -0.653 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.364 -12.824 0.362 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -5.216 -13.470 -0.794 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -6.803 -12.630 -2.657 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.691 -11.784 -1.406 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -4.692 -11.421 -1.471 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.629 -10.621 -2.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -5.380 -9.209 -0.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.015 -9.610 -0.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.107 -10.385 0.220 1.00 0.00 H new ATOM 894 N CYS A 58 -5.812 -14.351 2.146 1.00 0.00 N ATOM 895 CA CYS A 58 -5.901 -13.783 3.521 1.00 0.00 C ATOM 896 C CYS A 58 -6.682 -12.469 3.478 1.00 0.00 C ATOM 897 O CYS A 58 -6.510 -11.662 2.586 1.00 0.00 O ATOM 898 CB CYS A 58 -4.493 -13.525 4.061 1.00 0.00 C ATOM 899 SG CYS A 58 -4.263 -14.442 5.604 1.00 0.00 S ATOM 0 H CYS A 58 -4.916 -14.216 1.677 1.00 0.00 H new ATOM 0 HA CYS A 58 -6.414 -14.489 4.174 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.748 -13.833 3.327 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -4.348 -12.459 4.234 1.00 0.00 H new ATOM 904 N GLU A 59 -7.539 -12.247 4.437 1.00 0.00 N ATOM 905 CA GLU A 59 -8.331 -10.985 4.451 1.00 0.00 C ATOM 906 C GLU A 59 -7.381 -9.786 4.419 1.00 0.00 C ATOM 907 O GLU A 59 -6.651 -9.608 5.381 1.00 0.00 O ATOM 908 CB GLU A 59 -9.181 -10.930 5.723 1.00 0.00 C ATOM 909 CG GLU A 59 -10.108 -9.713 5.666 1.00 0.00 C ATOM 910 CD GLU A 59 -11.172 -9.932 4.589 1.00 0.00 C ATOM 911 OE1 GLU A 59 -11.454 -11.080 4.288 1.00 0.00 O ATOM 912 OE2 GLU A 59 -11.688 -8.948 4.085 1.00 0.00 O ATOM 913 OXT GLU A 59 -7.400 -9.067 3.434 1.00 0.00 O ATOM 0 H GLU A 59 -7.725 -12.885 5.211 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.982 -10.955 3.578 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -9.768 -11.843 5.821 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -8.538 -10.869 6.601 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.583 -9.558 6.635 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.532 -8.814 5.446 1.00 0.00 H new TER 920 GLU A 59