USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 589 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 39 MET CE :methyl -125:sc= -2.01 (180deg=-3.84!) USER MOD Set 1.2: A 61 MET CE :methyl -159:sc= -0.0115 (180deg=-0.592) USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.09 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00866 USER MOD Single : A 5 SER OG : rot 33:sc= 0.868 USER MOD Single : A 6 SER OG : rot 35:sc= 0.0546 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 MET CE :methyl -159:sc= -0.518 (180deg=-0.855) USER MOD Single : A 35 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.077) USER MOD Single : A 37 THR OG1 : rot -17:sc= -0.555 USER MOD Single : A 44 ASN : amide:sc= -1.45 K(o=-1.5,f=-4.7!) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0809 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -1.44 X(o=-1.4,f=-1.7) USER MOD Single : A 53 ASN : amide:sc= -5.92! C(o=-5.9!,f=-15!) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 55 MET CE :methyl 135:sc= -6.65! (180deg=-8.89!) USER MOD Single : A 56 SER OG : rot 130:sc= -0.183 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= -18.4! C(o=-18!,f=-20!) USER MOD Single : A 72 THR OG1 : rot 63:sc= 0.65 USER MOD Single : A 75 THR OG1 : rot -131:sc= -1.36 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 25:sc= 1.17 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -42.306 14.937 5.674 1.00 0.00 N ATOM 2 CA GLY A 1 -41.425 13.898 5.168 1.00 0.00 C ATOM 3 C GLY A 1 -40.253 14.503 4.392 1.00 0.00 C ATOM 4 O GLY A 1 -40.314 15.657 3.970 1.00 0.00 O ATOM 0 H1 GLY A 1 -42.183 15.026 6.703 1.00 0.00 H new ATOM 0 H2 GLY A 1 -42.073 15.842 5.218 1.00 0.00 H new ATOM 0 H3 GLY A 1 -43.294 14.687 5.464 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -41.047 13.301 5.998 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -41.986 13.224 4.520 1.00 0.00 H new ATOM 8 N SER A 2 -39.215 13.697 4.227 1.00 0.00 N ATOM 9 CA SER A 2 -38.031 14.139 3.509 1.00 0.00 C ATOM 10 C SER A 2 -37.064 12.968 3.325 1.00 0.00 C ATOM 11 O SER A 2 -37.203 11.935 3.977 1.00 0.00 O ATOM 12 CB SER A 2 -37.339 15.289 4.243 1.00 0.00 C ATOM 13 OG SER A 2 -36.667 14.845 5.418 1.00 0.00 O ATOM 0 H SER A 2 -39.169 12.740 4.578 1.00 0.00 H new ATOM 0 HA SER A 2 -38.341 14.504 2.530 1.00 0.00 H new ATOM 0 HB2 SER A 2 -36.623 15.767 3.575 1.00 0.00 H new ATOM 0 HB3 SER A 2 -38.078 16.044 4.511 1.00 0.00 H new ATOM 0 HG SER A 2 -36.237 15.608 5.857 1.00 0.00 H new ATOM 19 N SER A 3 -36.105 13.169 2.433 1.00 0.00 N ATOM 20 CA SER A 3 -35.114 12.143 2.155 1.00 0.00 C ATOM 21 C SER A 3 -34.050 12.688 1.200 1.00 0.00 C ATOM 22 O SER A 3 -34.213 13.768 0.635 1.00 0.00 O ATOM 23 CB SER A 3 -35.768 10.893 1.564 1.00 0.00 C ATOM 24 OG SER A 3 -34.888 9.772 1.580 1.00 0.00 O ATOM 0 H SER A 3 -35.993 14.027 1.893 1.00 0.00 H new ATOM 0 HA SER A 3 -34.639 11.862 3.095 1.00 0.00 H new ATOM 0 HB2 SER A 3 -36.670 10.654 2.128 1.00 0.00 H new ATOM 0 HB3 SER A 3 -36.078 11.096 0.539 1.00 0.00 H new ATOM 0 HG SER A 3 -35.343 8.993 1.196 1.00 0.00 H new ATOM 30 N GLY A 4 -32.985 11.915 1.049 1.00 0.00 N ATOM 31 CA GLY A 4 -31.895 12.307 0.172 1.00 0.00 C ATOM 32 C GLY A 4 -31.316 11.093 -0.559 1.00 0.00 C ATOM 33 O GLY A 4 -31.895 10.008 -0.524 1.00 0.00 O ATOM 0 H GLY A 4 -32.854 11.019 1.519 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -32.252 13.037 -0.554 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -31.112 12.793 0.754 1.00 0.00 H new ATOM 37 N SER A 5 -30.181 11.317 -1.205 1.00 0.00 N ATOM 38 CA SER A 5 -29.518 10.256 -1.943 1.00 0.00 C ATOM 39 C SER A 5 -28.115 10.704 -2.358 1.00 0.00 C ATOM 40 O SER A 5 -27.965 11.544 -3.244 1.00 0.00 O ATOM 41 CB SER A 5 -30.331 9.849 -3.173 1.00 0.00 C ATOM 42 OG SER A 5 -30.453 10.917 -4.109 1.00 0.00 O ATOM 0 H SER A 5 -29.704 12.218 -1.232 1.00 0.00 H new ATOM 0 HA SER A 5 -29.436 9.386 -1.291 1.00 0.00 H new ATOM 0 HB2 SER A 5 -29.855 8.996 -3.656 1.00 0.00 H new ATOM 0 HB3 SER A 5 -31.324 9.525 -2.861 1.00 0.00 H new ATOM 0 HG SER A 5 -29.643 11.468 -4.084 1.00 0.00 H new ATOM 48 N SER A 6 -27.123 10.124 -1.698 1.00 0.00 N ATOM 49 CA SER A 6 -25.738 10.454 -1.987 1.00 0.00 C ATOM 50 C SER A 6 -24.833 9.275 -1.626 1.00 0.00 C ATOM 51 O SER A 6 -25.159 8.486 -0.741 1.00 0.00 O ATOM 52 CB SER A 6 -25.301 11.710 -1.230 1.00 0.00 C ATOM 53 OG SER A 6 -25.397 12.880 -2.037 1.00 0.00 O ATOM 0 H SER A 6 -27.251 9.427 -0.964 1.00 0.00 H new ATOM 0 HA SER A 6 -25.651 10.657 -3.054 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.920 11.831 -0.341 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.273 11.588 -0.889 1.00 0.00 H new ATOM 0 HG SER A 6 -26.172 12.805 -2.632 1.00 0.00 H new ATOM 59 N GLY A 7 -23.714 9.192 -2.330 1.00 0.00 N ATOM 60 CA GLY A 7 -22.759 8.122 -2.095 1.00 0.00 C ATOM 61 C GLY A 7 -21.755 8.020 -3.244 1.00 0.00 C ATOM 62 O GLY A 7 -20.577 8.333 -3.074 1.00 0.00 O ATOM 0 H GLY A 7 -23.447 9.848 -3.064 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -22.229 8.302 -1.160 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -23.288 7.175 -1.985 1.00 0.00 H new ATOM 66 N ASP A 8 -22.257 7.583 -4.390 1.00 0.00 N ATOM 67 CA ASP A 8 -21.418 7.436 -5.567 1.00 0.00 C ATOM 68 C ASP A 8 -20.469 6.254 -5.368 1.00 0.00 C ATOM 69 O ASP A 8 -20.577 5.243 -6.060 1.00 0.00 O ATOM 70 CB ASP A 8 -20.571 8.689 -5.799 1.00 0.00 C ATOM 71 CG ASP A 8 -20.706 9.313 -7.190 1.00 0.00 C ATOM 72 OD1 ASP A 8 -21.798 9.855 -7.465 1.00 0.00 O ATOM 73 OD2 ASP A 8 -19.714 9.233 -7.946 1.00 0.00 O ATOM 0 H ASP A 8 -23.234 7.326 -4.528 1.00 0.00 H new ATOM 0 HA ASP A 8 -22.069 7.276 -6.427 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -20.844 9.437 -5.054 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -19.524 8.438 -5.630 1.00 0.00 H new ATOM 78 N ALA A 9 -19.559 6.419 -4.418 1.00 0.00 N ATOM 79 CA ALA A 9 -18.591 5.378 -4.119 1.00 0.00 C ATOM 80 C ALA A 9 -17.652 5.203 -5.314 1.00 0.00 C ATOM 81 O ALA A 9 -18.102 5.123 -6.456 1.00 0.00 O ATOM 82 CB ALA A 9 -19.327 4.085 -3.761 1.00 0.00 C ATOM 0 H ALA A 9 -19.472 7.259 -3.846 1.00 0.00 H new ATOM 0 HA ALA A 9 -17.982 5.655 -3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -18.601 3.303 -3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -19.958 4.255 -2.889 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -19.946 3.774 -4.602 1.00 0.00 H new ATOM 88 N VAL A 10 -16.363 5.147 -5.009 1.00 0.00 N ATOM 89 CA VAL A 10 -15.356 4.983 -6.044 1.00 0.00 C ATOM 90 C VAL A 10 -14.212 4.123 -5.503 1.00 0.00 C ATOM 91 O VAL A 10 -13.107 4.619 -5.288 1.00 0.00 O ATOM 92 CB VAL A 10 -14.891 6.352 -6.544 1.00 0.00 C ATOM 93 CG1 VAL A 10 -13.669 6.217 -7.454 1.00 0.00 C ATOM 94 CG2 VAL A 10 -16.027 7.090 -7.256 1.00 0.00 C ATOM 0 H VAL A 10 -15.993 5.212 -4.061 1.00 0.00 H new ATOM 0 HA VAL A 10 -15.774 4.463 -6.906 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.599 6.944 -5.677 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.359 7.205 -7.796 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.853 5.752 -6.901 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.923 5.599 -8.315 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -15.670 8.060 -7.602 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -16.364 6.502 -8.110 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -16.857 7.234 -6.564 1.00 0.00 H new ATOM 104 N GLU A 11 -14.515 2.850 -5.299 1.00 0.00 N ATOM 105 CA GLU A 11 -13.526 1.917 -4.788 1.00 0.00 C ATOM 106 C GLU A 11 -13.625 0.580 -5.526 1.00 0.00 C ATOM 107 O GLU A 11 -14.711 0.173 -5.936 1.00 0.00 O ATOM 108 CB GLU A 11 -13.683 1.723 -3.279 1.00 0.00 C ATOM 109 CG GLU A 11 -12.468 1.005 -2.688 1.00 0.00 C ATOM 110 CD GLU A 11 -12.840 0.267 -1.400 1.00 0.00 C ATOM 111 OE1 GLU A 11 -13.684 0.813 -0.657 1.00 0.00 O ATOM 112 OE2 GLU A 11 -12.271 -0.826 -1.188 1.00 0.00 O ATOM 0 H GLU A 11 -15.433 2.442 -5.479 1.00 0.00 H new ATOM 0 HA GLU A 11 -12.535 2.335 -4.966 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.808 2.692 -2.795 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.585 1.146 -3.075 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -12.070 0.297 -3.415 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.679 1.728 -2.482 1.00 0.00 H new ATOM 119 N LEU A 12 -12.478 -0.065 -5.672 1.00 0.00 N ATOM 120 CA LEU A 12 -12.422 -1.348 -6.353 1.00 0.00 C ATOM 121 C LEU A 12 -11.528 -2.303 -5.560 1.00 0.00 C ATOM 122 O LEU A 12 -10.311 -2.128 -5.517 1.00 0.00 O ATOM 123 CB LEU A 12 -11.986 -1.163 -7.808 1.00 0.00 C ATOM 124 CG LEU A 12 -12.139 -2.387 -8.714 1.00 0.00 C ATOM 125 CD1 LEU A 12 -13.551 -2.462 -9.300 1.00 0.00 C ATOM 126 CD2 LEU A 12 -11.065 -2.399 -9.804 1.00 0.00 C ATOM 0 H LEU A 12 -11.579 0.276 -5.331 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.413 -1.800 -6.396 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -12.562 -0.343 -8.238 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.940 -0.857 -7.817 1.00 0.00 H new ATOM 0 HG LEU A 12 -11.994 -3.281 -8.108 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -13.633 -3.341 -9.940 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -14.278 -2.533 -8.491 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -13.749 -1.566 -9.887 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.196 -3.279 -10.434 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.155 -1.500 -10.413 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.078 -2.427 -9.342 1.00 0.00 H new ATOM 138 N PHE A 13 -12.166 -3.292 -4.952 1.00 0.00 N ATOM 139 CA PHE A 13 -11.444 -4.276 -4.163 1.00 0.00 C ATOM 140 C PHE A 13 -11.905 -5.695 -4.500 1.00 0.00 C ATOM 141 O PHE A 13 -12.879 -6.187 -3.931 1.00 0.00 O ATOM 142 CB PHE A 13 -11.756 -3.986 -2.693 1.00 0.00 C ATOM 143 CG PHE A 13 -10.803 -4.668 -1.709 1.00 0.00 C ATOM 144 CD1 PHE A 13 -9.510 -4.257 -1.618 1.00 0.00 C ATOM 145 CD2 PHE A 13 -11.250 -5.685 -0.924 1.00 0.00 C ATOM 146 CE1 PHE A 13 -8.626 -4.889 -0.705 1.00 0.00 C ATOM 147 CE2 PHE A 13 -10.366 -6.318 -0.011 1.00 0.00 C ATOM 148 CZ PHE A 13 -9.073 -5.906 0.080 1.00 0.00 C ATOM 0 H PHE A 13 -13.175 -3.433 -4.990 1.00 0.00 H new ATOM 0 HA PHE A 13 -10.376 -4.211 -4.373 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -11.720 -2.909 -2.530 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -12.775 -4.307 -2.478 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.155 -3.449 -2.241 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -12.277 -6.011 -0.995 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -7.599 -4.563 -0.634 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -10.720 -7.127 0.611 1.00 0.00 H new ATOM 0 HZ PHE A 13 -8.401 -6.386 0.776 1.00 0.00 H new ATOM 158 N LYS A 14 -11.184 -6.314 -5.423 1.00 0.00 N ATOM 159 CA LYS A 14 -11.507 -7.667 -5.843 1.00 0.00 C ATOM 160 C LYS A 14 -10.216 -8.411 -6.189 1.00 0.00 C ATOM 161 O LYS A 14 -9.218 -7.792 -6.558 1.00 0.00 O ATOM 162 CB LYS A 14 -12.529 -7.645 -6.981 1.00 0.00 C ATOM 163 CG LYS A 14 -11.884 -7.179 -8.288 1.00 0.00 C ATOM 164 CD LYS A 14 -12.767 -6.151 -8.998 1.00 0.00 C ATOM 165 CE LYS A 14 -12.103 -5.654 -10.284 1.00 0.00 C ATOM 166 NZ LYS A 14 -12.242 -6.659 -11.361 1.00 0.00 N ATOM 0 H LYS A 14 -10.377 -5.903 -5.892 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.982 -8.215 -5.030 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.951 -8.641 -7.115 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.354 -6.981 -6.721 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -10.907 -6.743 -8.080 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.719 -8.035 -8.942 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.734 -6.597 -9.232 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -12.957 -5.308 -8.333 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.558 -4.714 -10.595 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.048 -5.452 -10.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -11.786 -6.306 -12.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.787 -7.547 -11.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.251 -6.831 -11.547 1.00 0.00 H new ATOM 180 N LYS A 15 -10.276 -9.728 -6.059 1.00 0.00 N ATOM 181 CA LYS A 15 -9.124 -10.562 -6.354 1.00 0.00 C ATOM 182 C LYS A 15 -8.019 -10.279 -5.334 1.00 0.00 C ATOM 183 O LYS A 15 -8.127 -9.345 -4.540 1.00 0.00 O ATOM 184 CB LYS A 15 -8.682 -10.372 -7.807 1.00 0.00 C ATOM 185 CG LYS A 15 -9.525 -11.230 -8.753 1.00 0.00 C ATOM 186 CD LYS A 15 -9.354 -10.776 -10.204 1.00 0.00 C ATOM 187 CE LYS A 15 -10.443 -11.374 -11.097 1.00 0.00 C ATOM 188 NZ LYS A 15 -10.446 -10.715 -12.422 1.00 0.00 N ATOM 0 H LYS A 15 -11.105 -10.238 -5.753 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.384 -11.616 -6.259 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.773 -9.322 -8.084 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.630 -10.638 -7.909 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.233 -12.276 -8.659 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.575 -11.166 -8.469 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -9.393 -9.688 -10.255 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.372 -11.077 -10.570 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.276 -12.444 -11.217 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.417 -11.254 -10.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.191 -11.133 -13.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.627 -9.698 -12.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.522 -10.851 -12.879 1.00 0.00 H new ATOM 202 N ALA A 16 -6.983 -11.102 -5.388 1.00 0.00 N ATOM 203 CA ALA A 16 -5.859 -10.952 -4.478 1.00 0.00 C ATOM 204 C ALA A 16 -6.339 -11.171 -3.042 1.00 0.00 C ATOM 205 O ALA A 16 -7.042 -10.331 -2.483 1.00 0.00 O ATOM 206 CB ALA A 16 -5.223 -9.574 -4.676 1.00 0.00 C ATOM 0 H ALA A 16 -6.897 -11.875 -6.048 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.093 -11.698 -4.687 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.380 -9.461 -3.994 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.873 -9.479 -5.704 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.962 -8.799 -4.471 1.00 0.00 H new ATOM 212 N ASN A 17 -5.941 -12.306 -2.486 1.00 0.00 N ATOM 213 CA ASN A 17 -6.321 -12.647 -1.126 1.00 0.00 C ATOM 214 C ASN A 17 -5.333 -12.007 -0.148 1.00 0.00 C ATOM 215 O ASN A 17 -5.736 -11.298 0.772 1.00 0.00 O ATOM 216 CB ASN A 17 -6.288 -14.161 -0.907 1.00 0.00 C ATOM 217 CG ASN A 17 -7.579 -14.815 -1.403 1.00 0.00 C ATOM 218 OD1 ASN A 17 -7.648 -15.370 -2.487 1.00 0.00 O ATOM 219 ND2 ASN A 17 -8.596 -14.718 -0.551 1.00 0.00 N ATOM 0 H ASN A 17 -5.359 -13.001 -2.953 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.334 -12.280 -0.958 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.434 -14.589 -1.432 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.151 -14.376 0.153 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.502 -15.122 -0.790 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -8.470 -14.239 0.341 1.00 0.00 H new ATOM 226 N ALA A 18 -4.058 -12.280 -0.383 1.00 0.00 N ATOM 227 CA ALA A 18 -3.009 -11.739 0.465 1.00 0.00 C ATOM 228 C ALA A 18 -3.283 -12.128 1.919 1.00 0.00 C ATOM 229 O ALA A 18 -3.709 -11.296 2.719 1.00 0.00 O ATOM 230 CB ALA A 18 -2.927 -10.223 0.273 1.00 0.00 C ATOM 0 H ALA A 18 -3.728 -12.868 -1.148 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.040 -12.155 0.189 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.140 -9.818 0.909 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.701 -10.000 -0.770 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -3.881 -9.770 0.543 1.00 0.00 H new ATOM 236 N MET A 19 -3.028 -13.393 2.218 1.00 0.00 N ATOM 237 CA MET A 19 -3.242 -13.903 3.562 1.00 0.00 C ATOM 238 C MET A 19 -1.996 -14.624 4.080 1.00 0.00 C ATOM 239 O MET A 19 -1.292 -15.283 3.315 1.00 0.00 O ATOM 240 CB MET A 19 -4.427 -14.870 3.558 1.00 0.00 C ATOM 241 CG MET A 19 -4.960 -15.090 4.976 1.00 0.00 C ATOM 242 SD MET A 19 -5.311 -16.821 5.234 1.00 0.00 S ATOM 243 CE MET A 19 -3.707 -17.384 5.780 1.00 0.00 C ATOM 0 H MET A 19 -2.675 -14.081 1.552 1.00 0.00 H new ATOM 0 HA MET A 19 -3.451 -13.060 4.221 1.00 0.00 H new ATOM 0 HB2 MET A 19 -5.221 -14.475 2.924 1.00 0.00 H new ATOM 0 HB3 MET A 19 -4.121 -15.824 3.128 1.00 0.00 H new ATOM 0 HG2 MET A 19 -4.227 -14.746 5.706 1.00 0.00 H new ATOM 0 HG3 MET A 19 -5.864 -14.500 5.129 1.00 0.00 H new ATOM 0 HE1 MET A 19 -3.629 -18.461 5.631 1.00 0.00 H new ATOM 0 HE2 MET A 19 -2.930 -16.881 5.204 1.00 0.00 H new ATOM 0 HE3 MET A 19 -3.581 -17.154 6.838 1.00 0.00 H new ATOM 253 N LEU A 20 -1.760 -14.475 5.375 1.00 0.00 N ATOM 254 CA LEU A 20 -0.611 -15.104 6.004 1.00 0.00 C ATOM 255 C LEU A 20 -0.872 -15.248 7.505 1.00 0.00 C ATOM 256 O LEU A 20 -1.705 -16.052 7.920 1.00 0.00 O ATOM 257 CB LEU A 20 0.669 -14.334 5.673 1.00 0.00 C ATOM 258 CG LEU A 20 1.246 -14.562 4.275 1.00 0.00 C ATOM 259 CD1 LEU A 20 0.839 -13.434 3.324 1.00 0.00 C ATOM 260 CD2 LEU A 20 2.764 -14.745 4.331 1.00 0.00 C ATOM 0 H LEU A 20 -2.345 -13.928 6.006 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.462 -16.109 5.608 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.470 -13.269 5.793 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.430 -14.601 6.406 1.00 0.00 H new ATOM 0 HG LEU A 20 0.825 -15.486 3.878 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.262 -13.620 2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.248 -13.394 3.251 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.213 -12.484 3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.149 -14.905 3.324 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.223 -13.852 4.757 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.004 -15.608 4.953 1.00 0.00 H new ATOM 272 N ASP A 21 -0.145 -14.455 8.278 1.00 0.00 N ATOM 273 CA ASP A 21 -0.287 -14.483 9.724 1.00 0.00 C ATOM 274 C ASP A 21 0.504 -13.324 10.333 1.00 0.00 C ATOM 275 O ASP A 21 1.379 -12.755 9.682 1.00 0.00 O ATOM 276 CB ASP A 21 0.262 -15.788 10.305 1.00 0.00 C ATOM 277 CG ASP A 21 -0.627 -16.451 11.359 1.00 0.00 C ATOM 278 OD1 ASP A 21 -1.155 -15.702 12.209 1.00 0.00 O ATOM 279 OD2 ASP A 21 -0.758 -17.692 11.291 1.00 0.00 O ATOM 0 H ASP A 21 0.545 -13.789 7.930 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.348 -14.400 9.961 1.00 0.00 H new ATOM 0 HB2 ASP A 21 0.420 -16.493 9.489 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.238 -15.589 10.748 1.00 0.00 H new ATOM 284 N GLU A 22 0.167 -13.008 11.575 1.00 0.00 N ATOM 285 CA GLU A 22 0.835 -11.927 12.279 1.00 0.00 C ATOM 286 C GLU A 22 1.984 -12.475 13.127 1.00 0.00 C ATOM 287 O GLU A 22 1.846 -13.516 13.768 1.00 0.00 O ATOM 288 CB GLU A 22 -0.155 -11.140 13.140 1.00 0.00 C ATOM 289 CG GLU A 22 -1.055 -12.083 13.941 1.00 0.00 C ATOM 290 CD GLU A 22 -1.388 -11.489 15.312 1.00 0.00 C ATOM 291 OE1 GLU A 22 -0.552 -11.664 16.225 1.00 0.00 O ATOM 292 OE2 GLU A 22 -2.471 -10.874 15.416 1.00 0.00 O ATOM 0 H GLU A 22 -0.560 -13.482 12.111 1.00 0.00 H new ATOM 0 HA GLU A 22 1.250 -11.241 11.541 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.390 -10.486 13.821 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.767 -10.500 12.504 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.976 -12.270 13.388 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.559 -13.045 14.068 1.00 0.00 H new ATOM 299 N ASP A 23 3.093 -11.751 13.104 1.00 0.00 N ATOM 300 CA ASP A 23 4.266 -12.152 13.863 1.00 0.00 C ATOM 301 C ASP A 23 5.315 -11.040 13.797 1.00 0.00 C ATOM 302 O ASP A 23 5.294 -10.215 12.884 1.00 0.00 O ATOM 303 CB ASP A 23 4.887 -13.424 13.284 1.00 0.00 C ATOM 304 CG ASP A 23 5.605 -14.313 14.301 1.00 0.00 C ATOM 305 OD1 ASP A 23 6.775 -13.995 14.607 1.00 0.00 O ATOM 306 OD2 ASP A 23 4.968 -15.291 14.750 1.00 0.00 O ATOM 0 H ASP A 23 3.205 -10.888 12.571 1.00 0.00 H new ATOM 0 HA ASP A 23 3.956 -12.338 14.891 1.00 0.00 H new ATOM 0 HB2 ASP A 23 4.102 -14.008 12.804 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.596 -13.142 12.505 1.00 0.00 H new ATOM 311 N GLU A 24 6.208 -11.055 14.775 1.00 0.00 N ATOM 312 CA GLU A 24 7.264 -10.058 14.840 1.00 0.00 C ATOM 313 C GLU A 24 8.026 -10.007 13.514 1.00 0.00 C ATOM 314 O GLU A 24 8.073 -10.994 12.782 1.00 0.00 O ATOM 315 CB GLU A 24 8.212 -10.339 16.007 1.00 0.00 C ATOM 316 CG GLU A 24 8.685 -9.036 16.654 1.00 0.00 C ATOM 317 CD GLU A 24 8.090 -8.871 18.054 1.00 0.00 C ATOM 318 OE1 GLU A 24 6.853 -9.013 18.165 1.00 0.00 O ATOM 319 OE2 GLU A 24 8.885 -8.607 18.982 1.00 0.00 O ATOM 0 H GLU A 24 6.223 -11.742 15.529 1.00 0.00 H new ATOM 0 HA GLU A 24 6.808 -9.083 15.013 1.00 0.00 H new ATOM 0 HB2 GLU A 24 7.707 -10.956 16.750 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.072 -10.907 15.653 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.773 -9.030 16.715 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.396 -8.190 16.030 1.00 0.00 H new ATOM 326 N ASP A 25 8.606 -8.845 13.246 1.00 0.00 N ATOM 327 CA ASP A 25 9.364 -8.652 12.022 1.00 0.00 C ATOM 328 C ASP A 25 10.548 -7.725 12.302 1.00 0.00 C ATOM 329 O ASP A 25 10.489 -6.891 13.204 1.00 0.00 O ATOM 330 CB ASP A 25 8.502 -8.004 10.937 1.00 0.00 C ATOM 331 CG ASP A 25 8.075 -6.563 11.225 1.00 0.00 C ATOM 332 OD1 ASP A 25 7.592 -6.329 12.354 1.00 0.00 O ATOM 333 OD2 ASP A 25 8.241 -5.728 10.310 1.00 0.00 O ATOM 0 H ASP A 25 8.566 -8.029 13.856 1.00 0.00 H new ATOM 0 HA ASP A 25 9.703 -9.629 11.677 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.053 -8.023 9.997 1.00 0.00 H new ATOM 0 HB3 ASP A 25 7.608 -8.610 10.794 1.00 0.00 H new ATOM 338 N GLU A 26 11.597 -7.902 11.512 1.00 0.00 N ATOM 339 CA GLU A 26 12.793 -7.092 11.663 1.00 0.00 C ATOM 340 C GLU A 26 12.951 -6.149 10.468 1.00 0.00 C ATOM 341 O GLU A 26 12.971 -4.931 10.632 1.00 0.00 O ATOM 342 CB GLU A 26 14.033 -7.971 11.835 1.00 0.00 C ATOM 343 CG GLU A 26 14.366 -8.167 13.315 1.00 0.00 C ATOM 344 CD GLU A 26 15.858 -8.445 13.510 1.00 0.00 C ATOM 345 OE1 GLU A 26 16.376 -9.309 12.770 1.00 0.00 O ATOM 346 OE2 GLU A 26 16.447 -7.787 14.394 1.00 0.00 O ATOM 0 H GLU A 26 11.643 -8.595 10.765 1.00 0.00 H new ATOM 0 HA GLU A 26 12.687 -6.489 12.565 1.00 0.00 H new ATOM 0 HB2 GLU A 26 13.864 -8.940 11.365 1.00 0.00 H new ATOM 0 HB3 GLU A 26 14.881 -7.513 11.325 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.082 -7.277 13.876 1.00 0.00 H new ATOM 0 HG3 GLU A 26 13.783 -8.996 13.716 1.00 0.00 H new ATOM 353 N ARG A 27 13.059 -6.750 9.292 1.00 0.00 N ATOM 354 CA ARG A 27 13.214 -5.979 8.070 1.00 0.00 C ATOM 355 C ARG A 27 11.959 -6.099 7.204 1.00 0.00 C ATOM 356 O ARG A 27 11.227 -7.084 7.298 1.00 0.00 O ATOM 357 CB ARG A 27 14.426 -6.457 7.267 1.00 0.00 C ATOM 358 CG ARG A 27 15.382 -5.299 6.976 1.00 0.00 C ATOM 359 CD ARG A 27 16.116 -4.860 8.245 1.00 0.00 C ATOM 360 NE ARG A 27 17.118 -3.822 7.917 1.00 0.00 N ATOM 361 CZ ARG A 27 18.266 -4.064 7.271 1.00 0.00 C ATOM 362 NH1 ARG A 27 18.565 -5.310 6.879 1.00 0.00 N ATOM 363 NH2 ARG A 27 19.116 -3.060 7.016 1.00 0.00 N ATOM 0 H ARG A 27 13.042 -7.761 9.159 1.00 0.00 H new ATOM 0 HA ARG A 27 13.367 -4.937 8.353 1.00 0.00 H new ATOM 0 HB2 ARG A 27 14.950 -7.235 7.822 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.093 -6.903 6.330 1.00 0.00 H new ATOM 0 HG2 ARG A 27 16.106 -5.602 6.220 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.825 -4.457 6.565 1.00 0.00 H new ATOM 0 HD2 ARG A 27 15.402 -4.472 8.972 1.00 0.00 H new ATOM 0 HD3 ARG A 27 16.606 -5.717 8.706 1.00 0.00 H new ATOM 0 HE ARG A 27 16.922 -2.862 8.201 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.918 -6.075 7.073 1.00 0.00 H new ATOM 0 HH12 ARG A 27 19.439 -5.494 6.387 1.00 0.00 H new ATOM 0 HH21 ARG A 27 18.889 -2.111 7.314 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.990 -3.244 6.524 1.00 0.00 H new ATOM 377 N VAL A 28 11.747 -5.083 6.380 1.00 0.00 N ATOM 378 CA VAL A 28 10.593 -5.062 5.498 1.00 0.00 C ATOM 379 C VAL A 28 10.405 -6.448 4.878 1.00 0.00 C ATOM 380 O VAL A 28 11.319 -7.271 4.900 1.00 0.00 O ATOM 381 CB VAL A 28 10.753 -3.956 4.453 1.00 0.00 C ATOM 382 CG1 VAL A 28 9.534 -3.893 3.531 1.00 0.00 C ATOM 383 CG2 VAL A 28 11.005 -2.603 5.121 1.00 0.00 C ATOM 0 H VAL A 28 12.356 -4.268 6.305 1.00 0.00 H new ATOM 0 HA VAL A 28 9.687 -4.832 6.059 1.00 0.00 H new ATOM 0 HB VAL A 28 11.623 -4.196 3.842 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.673 -3.099 2.798 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.418 -4.846 3.016 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.641 -3.689 4.122 1.00 0.00 H new ATOM 0 HG21 VAL A 28 11.115 -1.834 4.356 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.163 -2.354 5.767 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.916 -2.655 5.716 1.00 0.00 H new ATOM 393 N ASP A 29 9.214 -6.663 4.339 1.00 0.00 N ATOM 394 CA ASP A 29 8.895 -7.935 3.714 1.00 0.00 C ATOM 395 C ASP A 29 9.303 -7.891 2.240 1.00 0.00 C ATOM 396 O ASP A 29 9.047 -6.905 1.551 1.00 0.00 O ATOM 397 CB ASP A 29 7.393 -8.220 3.780 1.00 0.00 C ATOM 398 CG ASP A 29 7.020 -9.698 3.914 1.00 0.00 C ATOM 399 OD1 ASP A 29 7.081 -10.197 5.059 1.00 0.00 O ATOM 400 OD2 ASP A 29 6.682 -10.295 2.870 1.00 0.00 O ATOM 0 H ASP A 29 8.459 -5.978 4.322 1.00 0.00 H new ATOM 0 HA ASP A 29 9.435 -8.717 4.248 1.00 0.00 H new ATOM 0 HB2 ASP A 29 6.972 -7.677 4.626 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.923 -7.822 2.880 1.00 0.00 H new ATOM 405 N GLU A 30 9.931 -8.972 1.800 1.00 0.00 N ATOM 406 CA GLU A 30 10.377 -9.068 0.421 1.00 0.00 C ATOM 407 C GLU A 30 9.237 -9.562 -0.473 1.00 0.00 C ATOM 408 O GLU A 30 9.020 -9.029 -1.560 1.00 0.00 O ATOM 409 CB GLU A 30 11.600 -9.980 0.302 1.00 0.00 C ATOM 410 CG GLU A 30 11.186 -11.453 0.284 1.00 0.00 C ATOM 411 CD GLU A 30 12.410 -12.366 0.191 1.00 0.00 C ATOM 412 OE1 GLU A 30 12.997 -12.417 -0.912 1.00 0.00 O ATOM 413 OE2 GLU A 30 12.732 -12.991 1.224 1.00 0.00 O ATOM 0 H GLU A 30 10.141 -9.788 2.374 1.00 0.00 H new ATOM 0 HA GLU A 30 10.672 -8.074 0.086 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.149 -9.742 -0.609 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.276 -9.799 1.138 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.621 -11.687 1.187 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.525 -11.638 -0.562 1.00 0.00 H new ATOM 420 N ALA A 31 8.538 -10.574 0.019 1.00 0.00 N ATOM 421 CA ALA A 31 7.426 -11.145 -0.721 1.00 0.00 C ATOM 422 C ALA A 31 6.504 -10.020 -1.197 1.00 0.00 C ATOM 423 O ALA A 31 6.229 -9.902 -2.390 1.00 0.00 O ATOM 424 CB ALA A 31 6.696 -12.163 0.159 1.00 0.00 C ATOM 0 H ALA A 31 8.720 -11.013 0.921 1.00 0.00 H new ATOM 0 HA ALA A 31 7.784 -11.674 -1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.862 -12.592 -0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.386 -12.956 0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.320 -11.667 1.054 1.00 0.00 H new ATOM 430 N ALA A 32 6.054 -9.222 -0.240 1.00 0.00 N ATOM 431 CA ALA A 32 5.170 -8.111 -0.547 1.00 0.00 C ATOM 432 C ALA A 32 5.881 -7.147 -1.498 1.00 0.00 C ATOM 433 O ALA A 32 5.363 -6.829 -2.568 1.00 0.00 O ATOM 434 CB ALA A 32 4.732 -7.432 0.752 1.00 0.00 C ATOM 0 H ALA A 32 6.285 -9.323 0.748 1.00 0.00 H new ATOM 0 HA ALA A 32 4.269 -8.465 -1.049 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.069 -6.598 0.521 1.00 0.00 H new ATOM 0 HB2 ALA A 32 4.206 -8.152 1.379 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.609 -7.062 1.283 1.00 0.00 H new ATOM 440 N LEU A 33 7.057 -6.707 -1.074 1.00 0.00 N ATOM 441 CA LEU A 33 7.845 -5.785 -1.874 1.00 0.00 C ATOM 442 C LEU A 33 7.758 -6.193 -3.346 1.00 0.00 C ATOM 443 O LEU A 33 7.316 -5.410 -4.186 1.00 0.00 O ATOM 444 CB LEU A 33 9.276 -5.702 -1.342 1.00 0.00 C ATOM 445 CG LEU A 33 10.228 -4.787 -2.116 1.00 0.00 C ATOM 446 CD1 LEU A 33 9.771 -3.329 -2.038 1.00 0.00 C ATOM 447 CD2 LEU A 33 11.670 -4.963 -1.635 1.00 0.00 C ATOM 0 H LEU A 33 7.483 -6.972 -0.186 1.00 0.00 H new ATOM 0 HA LEU A 33 7.443 -4.775 -1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.238 -5.362 -0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.698 -6.707 -1.332 1.00 0.00 H new ATOM 0 HG LEU A 33 10.202 -5.077 -3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.465 -2.700 -2.596 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.773 -3.237 -2.466 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.750 -3.010 -0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.326 -4.302 -2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.733 -4.716 -0.575 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.980 -5.997 -1.785 1.00 0.00 H new ATOM 459 N ARG A 34 8.188 -7.417 -3.615 1.00 0.00 N ATOM 460 CA ARG A 34 8.165 -7.938 -4.971 1.00 0.00 C ATOM 461 C ARG A 34 6.863 -7.542 -5.670 1.00 0.00 C ATOM 462 O ARG A 34 6.885 -7.031 -6.788 1.00 0.00 O ATOM 463 CB ARG A 34 8.296 -9.463 -4.978 1.00 0.00 C ATOM 464 CG ARG A 34 9.269 -9.925 -6.064 1.00 0.00 C ATOM 465 CD ARG A 34 10.396 -10.771 -5.467 1.00 0.00 C ATOM 466 NE ARG A 34 11.654 -10.534 -6.209 1.00 0.00 N ATOM 467 CZ ARG A 34 12.305 -9.363 -6.231 1.00 0.00 C ATOM 468 NH1 ARG A 34 11.820 -8.314 -5.552 1.00 0.00 N ATOM 469 NH2 ARG A 34 13.440 -9.240 -6.932 1.00 0.00 N ATOM 0 H ARG A 34 8.555 -8.063 -2.916 1.00 0.00 H new ATOM 0 HA ARG A 34 9.013 -7.509 -5.505 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.644 -9.806 -4.004 1.00 0.00 H new ATOM 0 HB3 ARG A 34 7.318 -9.915 -5.145 1.00 0.00 H new ATOM 0 HG2 ARG A 34 8.733 -10.505 -6.815 1.00 0.00 H new ATOM 0 HG3 ARG A 34 9.691 -9.058 -6.572 1.00 0.00 H new ATOM 0 HD2 ARG A 34 10.532 -10.520 -4.415 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.131 -11.827 -5.511 1.00 0.00 H new ATOM 0 HE ARG A 34 12.051 -11.311 -6.737 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.956 -8.407 -5.019 1.00 0.00 H new ATOM 0 HH12 ARG A 34 12.315 -7.423 -5.569 1.00 0.00 H new ATOM 0 HH21 ARG A 34 13.809 -10.038 -7.449 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.935 -8.348 -6.948 1.00 0.00 H new ATOM 483 N GLN A 35 5.759 -7.793 -4.981 1.00 0.00 N ATOM 484 CA GLN A 35 4.450 -7.469 -5.522 1.00 0.00 C ATOM 485 C GLN A 35 4.428 -6.026 -6.031 1.00 0.00 C ATOM 486 O GLN A 35 4.120 -5.780 -7.196 1.00 0.00 O ATOM 487 CB GLN A 35 3.354 -7.699 -4.480 1.00 0.00 C ATOM 488 CG GLN A 35 3.418 -9.122 -3.921 1.00 0.00 C ATOM 489 CD GLN A 35 2.084 -9.847 -4.112 1.00 0.00 C ATOM 490 OE1 GLN A 35 1.537 -9.919 -5.200 1.00 0.00 O ATOM 491 NE2 GLN A 35 1.592 -10.377 -2.996 1.00 0.00 N ATOM 0 H GLN A 35 5.744 -8.217 -4.053 1.00 0.00 H new ATOM 0 HA GLN A 35 4.252 -8.133 -6.363 1.00 0.00 H new ATOM 0 HB2 GLN A 35 3.463 -6.980 -3.668 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.377 -7.525 -4.931 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.212 -9.677 -4.420 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.670 -9.089 -2.861 1.00 0.00 H new ATOM 0 HE21 GLN A 35 2.101 -10.280 -2.118 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.705 -10.881 -3.018 1.00 0.00 H new ATOM 500 N LEU A 36 4.760 -5.111 -5.133 1.00 0.00 N ATOM 501 CA LEU A 36 4.782 -3.699 -5.477 1.00 0.00 C ATOM 502 C LEU A 36 5.751 -3.477 -6.640 1.00 0.00 C ATOM 503 O LEU A 36 5.338 -3.085 -7.730 1.00 0.00 O ATOM 504 CB LEU A 36 5.099 -2.852 -4.243 1.00 0.00 C ATOM 505 CG LEU A 36 4.016 -2.809 -3.162 1.00 0.00 C ATOM 506 CD1 LEU A 36 4.631 -2.591 -1.778 1.00 0.00 C ATOM 507 CD2 LEU A 36 2.956 -1.756 -3.491 1.00 0.00 C ATOM 0 H LEU A 36 5.016 -5.319 -4.168 1.00 0.00 H new ATOM 0 HA LEU A 36 3.798 -3.374 -5.815 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.018 -3.230 -3.794 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.300 -1.831 -4.569 1.00 0.00 H new ATOM 0 HG LEU A 36 3.514 -3.776 -3.142 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.840 -2.564 -1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.318 -3.407 -1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.174 -1.646 -1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.198 -1.746 -2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.426 -0.774 -3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.488 -1.997 -4.445 1.00 0.00 H new ATOM 519 N THR A 37 7.021 -3.738 -6.368 1.00 0.00 N ATOM 520 CA THR A 37 8.052 -3.572 -7.379 1.00 0.00 C ATOM 521 C THR A 37 7.611 -4.206 -8.700 1.00 0.00 C ATOM 522 O THR A 37 7.971 -3.726 -9.774 1.00 0.00 O ATOM 523 CB THR A 37 9.353 -4.158 -6.828 1.00 0.00 C ATOM 524 OG1 THR A 37 9.062 -5.541 -6.646 1.00 0.00 O ATOM 525 CG2 THR A 37 9.671 -3.656 -5.418 1.00 0.00 C ATOM 0 H THR A 37 7.360 -4.063 -5.462 1.00 0.00 H new ATOM 0 HA THR A 37 8.222 -2.519 -7.601 1.00 0.00 H new ATOM 0 HB THR A 37 10.176 -3.906 -7.497 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.091 -5.674 -6.649 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.604 -4.103 -5.075 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.772 -2.571 -5.432 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.864 -3.937 -4.741 1.00 0.00 H new ATOM 533 N GLU A 38 6.838 -5.276 -8.577 1.00 0.00 N ATOM 534 CA GLU A 38 6.345 -5.980 -9.748 1.00 0.00 C ATOM 535 C GLU A 38 5.230 -5.177 -10.421 1.00 0.00 C ATOM 536 O GLU A 38 5.104 -5.188 -11.644 1.00 0.00 O ATOM 537 CB GLU A 38 5.862 -7.385 -9.379 1.00 0.00 C ATOM 538 CG GLU A 38 7.035 -8.364 -9.298 1.00 0.00 C ATOM 539 CD GLU A 38 6.793 -9.584 -10.190 1.00 0.00 C ATOM 540 OE1 GLU A 38 5.676 -10.138 -10.102 1.00 0.00 O ATOM 541 OE2 GLU A 38 7.730 -9.934 -10.938 1.00 0.00 O ATOM 0 H GLU A 38 6.542 -5.672 -7.685 1.00 0.00 H new ATOM 0 HA GLU A 38 7.167 -6.087 -10.456 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.342 -7.355 -8.422 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.144 -7.733 -10.121 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.954 -7.863 -9.603 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.175 -8.685 -8.266 1.00 0.00 H new ATOM 548 N MET A 39 4.450 -4.498 -9.592 1.00 0.00 N ATOM 549 CA MET A 39 3.351 -3.690 -10.091 1.00 0.00 C ATOM 550 C MET A 39 3.868 -2.511 -10.918 1.00 0.00 C ATOM 551 O MET A 39 3.570 -2.403 -12.106 1.00 0.00 O ATOM 552 CB MET A 39 2.526 -3.166 -8.914 1.00 0.00 C ATOM 553 CG MET A 39 1.330 -4.078 -8.633 1.00 0.00 C ATOM 554 SD MET A 39 -0.182 -3.271 -9.130 1.00 0.00 S ATOM 555 CE MET A 39 -0.240 -1.953 -7.928 1.00 0.00 C ATOM 0 H MET A 39 4.558 -4.491 -8.578 1.00 0.00 H new ATOM 0 HA MET A 39 2.729 -4.314 -10.733 1.00 0.00 H new ATOM 0 HB2 MET A 39 3.154 -3.100 -8.026 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.175 -2.157 -9.132 1.00 0.00 H new ATOM 0 HG2 MET A 39 1.444 -5.018 -9.172 1.00 0.00 H new ATOM 0 HG3 MET A 39 1.290 -4.322 -7.571 1.00 0.00 H new ATOM 0 HE1 MET A 39 -1.192 -1.986 -7.397 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.577 -2.073 -7.216 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.141 -0.993 -8.435 1.00 0.00 H new ATOM 565 N GLY A 40 4.635 -1.657 -10.256 1.00 0.00 N ATOM 566 CA GLY A 40 5.197 -0.490 -10.915 1.00 0.00 C ATOM 567 C GLY A 40 5.501 0.617 -9.904 1.00 0.00 C ATOM 568 O GLY A 40 5.004 1.735 -10.033 1.00 0.00 O ATOM 0 H GLY A 40 4.880 -1.750 -9.270 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.111 -0.769 -11.440 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.499 -0.120 -11.666 1.00 0.00 H new ATOM 572 N PHE A 41 6.316 0.268 -8.919 1.00 0.00 N ATOM 573 CA PHE A 41 6.692 1.218 -7.886 1.00 0.00 C ATOM 574 C PHE A 41 8.170 1.071 -7.519 1.00 0.00 C ATOM 575 O PHE A 41 8.741 -0.010 -7.646 1.00 0.00 O ATOM 576 CB PHE A 41 5.839 0.902 -6.656 1.00 0.00 C ATOM 577 CG PHE A 41 4.357 1.245 -6.821 1.00 0.00 C ATOM 578 CD1 PHE A 41 3.975 2.536 -7.011 1.00 0.00 C ATOM 579 CD2 PHE A 41 3.422 0.258 -6.778 1.00 0.00 C ATOM 580 CE1 PHE A 41 2.600 2.855 -7.164 1.00 0.00 C ATOM 581 CE2 PHE A 41 2.047 0.577 -6.931 1.00 0.00 C ATOM 582 CZ PHE A 41 1.665 1.868 -7.121 1.00 0.00 C ATOM 0 H PHE A 41 6.726 -0.660 -8.815 1.00 0.00 H new ATOM 0 HA PHE A 41 6.533 2.236 -8.240 1.00 0.00 H new ATOM 0 HB2 PHE A 41 5.932 -0.159 -6.425 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.235 1.450 -5.801 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.718 3.319 -7.046 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.725 -0.768 -6.628 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.297 3.881 -7.314 1.00 0.00 H new ATOM 0 HE2 PHE A 41 1.304 -0.206 -6.896 1.00 0.00 H new ATOM 0 HZ PHE A 41 0.619 2.110 -7.238 1.00 0.00 H new ATOM 592 N PRO A 42 8.762 2.206 -7.058 1.00 0.00 N ATOM 593 CA PRO A 42 10.163 2.214 -6.671 1.00 0.00 C ATOM 594 C PRO A 42 10.364 1.520 -5.322 1.00 0.00 C ATOM 595 O PRO A 42 9.684 1.839 -4.348 1.00 0.00 O ATOM 596 CB PRO A 42 10.556 3.682 -6.647 1.00 0.00 C ATOM 597 CG PRO A 42 9.253 4.461 -6.566 1.00 0.00 C ATOM 598 CD PRO A 42 8.117 3.505 -6.893 1.00 0.00 C ATOM 0 HA PRO A 42 10.794 1.657 -7.364 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.196 3.901 -5.792 1.00 0.00 H new ATOM 0 HB3 PRO A 42 11.117 3.951 -7.542 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.122 4.883 -5.570 1.00 0.00 H new ATOM 0 HG3 PRO A 42 9.263 5.296 -7.267 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.377 3.481 -6.093 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.595 3.806 -7.801 1.00 0.00 H new ATOM 606 N GLU A 43 11.300 0.583 -5.309 1.00 0.00 N ATOM 607 CA GLU A 43 11.599 -0.160 -4.096 1.00 0.00 C ATOM 608 C GLU A 43 11.724 0.795 -2.907 1.00 0.00 C ATOM 609 O GLU A 43 11.035 0.633 -1.901 1.00 0.00 O ATOM 610 CB GLU A 43 12.869 -0.996 -4.264 1.00 0.00 C ATOM 611 CG GLU A 43 12.698 -2.383 -3.641 1.00 0.00 C ATOM 612 CD GLU A 43 13.520 -3.429 -4.397 1.00 0.00 C ATOM 613 OE1 GLU A 43 14.741 -3.486 -4.138 1.00 0.00 O ATOM 614 OE2 GLU A 43 12.908 -4.147 -5.217 1.00 0.00 O ATOM 0 H GLU A 43 11.862 0.321 -6.119 1.00 0.00 H new ATOM 0 HA GLU A 43 10.775 -0.847 -3.901 1.00 0.00 H new ATOM 0 HB2 GLU A 43 13.106 -1.096 -5.323 1.00 0.00 H new ATOM 0 HB3 GLU A 43 13.710 -0.484 -3.796 1.00 0.00 H new ATOM 0 HG2 GLU A 43 13.008 -2.357 -2.596 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.645 -2.664 -3.654 1.00 0.00 H new ATOM 621 N ASN A 44 12.609 1.769 -3.062 1.00 0.00 N ATOM 622 CA ASN A 44 12.834 2.749 -2.013 1.00 0.00 C ATOM 623 C ASN A 44 11.490 3.157 -1.406 1.00 0.00 C ATOM 624 O ASN A 44 11.331 3.158 -0.186 1.00 0.00 O ATOM 625 CB ASN A 44 13.502 4.008 -2.570 1.00 0.00 C ATOM 626 CG ASN A 44 13.079 4.258 -4.019 1.00 0.00 C ATOM 627 OD1 ASN A 44 13.427 3.525 -4.930 1.00 0.00 O ATOM 628 ND2 ASN A 44 12.311 5.332 -4.180 1.00 0.00 N ATOM 0 H ASN A 44 13.178 1.900 -3.898 1.00 0.00 H new ATOM 0 HA ASN A 44 13.483 2.297 -1.263 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.235 4.868 -1.956 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.586 3.903 -2.517 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.976 5.585 -5.110 1.00 0.00 H new ATOM 0 HD22 ASN A 44 12.057 5.903 -3.374 1.00 0.00 H new ATOM 635 N ARG A 45 10.557 3.493 -2.284 1.00 0.00 N ATOM 636 CA ARG A 45 9.233 3.902 -1.850 1.00 0.00 C ATOM 637 C ARG A 45 8.449 2.695 -1.330 1.00 0.00 C ATOM 638 O ARG A 45 8.058 2.659 -0.164 1.00 0.00 O ATOM 639 CB ARG A 45 8.454 4.553 -2.995 1.00 0.00 C ATOM 640 CG ARG A 45 8.959 5.971 -3.265 1.00 0.00 C ATOM 641 CD ARG A 45 7.946 6.766 -4.091 1.00 0.00 C ATOM 642 NE ARG A 45 8.428 8.152 -4.286 1.00 0.00 N ATOM 643 CZ ARG A 45 7.982 8.974 -5.245 1.00 0.00 C ATOM 644 NH1 ARG A 45 7.041 8.556 -6.103 1.00 0.00 N ATOM 645 NH2 ARG A 45 8.477 10.216 -5.347 1.00 0.00 N ATOM 0 H ARG A 45 10.692 3.490 -3.295 1.00 0.00 H new ATOM 0 HA ARG A 45 9.357 4.632 -1.050 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.554 3.950 -3.897 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.393 4.582 -2.747 1.00 0.00 H new ATOM 0 HG2 ARG A 45 9.143 6.481 -2.320 1.00 0.00 H new ATOM 0 HG3 ARG A 45 9.911 5.927 -3.794 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.795 6.285 -5.058 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.980 6.776 -3.586 1.00 0.00 H new ATOM 0 HE ARG A 45 9.144 8.503 -3.650 1.00 0.00 H new ATOM 0 HH11 ARG A 45 6.664 7.611 -6.026 1.00 0.00 H new ATOM 0 HH12 ARG A 45 6.702 9.183 -6.833 1.00 0.00 H new ATOM 0 HH21 ARG A 45 9.193 10.535 -4.694 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.137 10.842 -6.077 1.00 0.00 H new ATOM 659 N ALA A 46 8.241 1.736 -2.221 1.00 0.00 N ATOM 660 CA ALA A 46 7.511 0.531 -1.867 1.00 0.00 C ATOM 661 C ALA A 46 7.936 0.074 -0.470 1.00 0.00 C ATOM 662 O ALA A 46 7.095 -0.130 0.404 1.00 0.00 O ATOM 663 CB ALA A 46 7.751 -0.542 -2.930 1.00 0.00 C ATOM 0 H ALA A 46 8.566 1.770 -3.187 1.00 0.00 H new ATOM 0 HA ALA A 46 6.439 0.726 -1.838 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.203 -1.446 -2.664 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.405 -0.179 -3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.816 -0.766 -2.986 1.00 0.00 H new ATOM 669 N THR A 47 9.242 -0.074 -0.303 1.00 0.00 N ATOM 670 CA THR A 47 9.790 -0.503 0.973 1.00 0.00 C ATOM 671 C THR A 47 9.310 0.418 2.096 1.00 0.00 C ATOM 672 O THR A 47 8.803 -0.050 3.114 1.00 0.00 O ATOM 673 CB THR A 47 11.313 -0.557 0.840 1.00 0.00 C ATOM 674 OG1 THR A 47 11.560 -1.792 0.172 1.00 0.00 O ATOM 675 CG2 THR A 47 12.014 -0.717 2.190 1.00 0.00 C ATOM 0 H THR A 47 9.937 0.096 -1.030 1.00 0.00 H new ATOM 0 HA THR A 47 9.438 -1.499 1.240 1.00 0.00 H new ATOM 0 HB THR A 47 11.667 0.352 0.353 1.00 0.00 H new ATOM 0 HG1 THR A 47 12.525 -1.907 0.043 1.00 0.00 H new ATOM 0 HG21 THR A 47 13.093 -0.750 2.038 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.763 0.127 2.832 1.00 0.00 H new ATOM 0 HG23 THR A 47 11.686 -1.643 2.663 1.00 0.00 H new ATOM 683 N LYS A 48 9.488 1.712 1.873 1.00 0.00 N ATOM 684 CA LYS A 48 9.080 2.703 2.854 1.00 0.00 C ATOM 685 C LYS A 48 7.612 2.477 3.221 1.00 0.00 C ATOM 686 O LYS A 48 7.301 2.102 4.350 1.00 0.00 O ATOM 687 CB LYS A 48 9.376 4.115 2.344 1.00 0.00 C ATOM 688 CG LYS A 48 8.568 5.159 3.118 1.00 0.00 C ATOM 689 CD LYS A 48 8.967 6.577 2.707 1.00 0.00 C ATOM 690 CE LYS A 48 8.937 7.525 3.907 1.00 0.00 C ATOM 691 NZ LYS A 48 10.280 7.626 4.521 1.00 0.00 N ATOM 0 H LYS A 48 9.909 2.097 1.027 1.00 0.00 H new ATOM 0 HA LYS A 48 9.659 2.592 3.771 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.441 4.326 2.445 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.137 4.179 1.282 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.504 5.009 2.935 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.729 5.028 4.188 1.00 0.00 H new ATOM 0 HD2 LYS A 48 9.967 6.566 2.273 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.288 6.940 1.935 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.600 8.512 3.590 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.220 7.165 4.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 10.242 8.273 5.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.587 6.685 4.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.956 7.990 3.820 1.00 0.00 H new ATOM 705 N ALA A 49 6.748 2.715 2.245 1.00 0.00 N ATOM 706 CA ALA A 49 5.320 2.542 2.451 1.00 0.00 C ATOM 707 C ALA A 49 5.073 1.231 3.202 1.00 0.00 C ATOM 708 O ALA A 49 4.371 1.214 4.212 1.00 0.00 O ATOM 709 CB ALA A 49 4.600 2.585 1.102 1.00 0.00 C ATOM 0 H ALA A 49 7.009 3.026 1.309 1.00 0.00 H new ATOM 0 HA ALA A 49 4.919 3.352 3.060 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.529 2.455 1.257 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.783 3.546 0.622 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.974 1.784 0.464 1.00 0.00 H new ATOM 715 N LEU A 50 5.662 0.167 2.678 1.00 0.00 N ATOM 716 CA LEU A 50 5.514 -1.145 3.286 1.00 0.00 C ATOM 717 C LEU A 50 5.723 -1.028 4.797 1.00 0.00 C ATOM 718 O LEU A 50 5.010 -1.659 5.576 1.00 0.00 O ATOM 719 CB LEU A 50 6.446 -2.155 2.613 1.00 0.00 C ATOM 720 CG LEU A 50 5.790 -3.108 1.611 1.00 0.00 C ATOM 721 CD1 LEU A 50 6.846 -3.859 0.797 1.00 0.00 C ATOM 722 CD2 LEU A 50 4.823 -4.062 2.315 1.00 0.00 C ATOM 0 H LEU A 50 6.243 0.186 1.840 1.00 0.00 H new ATOM 0 HA LEU A 50 4.504 -1.525 3.132 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.235 -1.606 2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.926 -2.750 3.390 1.00 0.00 H new ATOM 0 HG LEU A 50 5.204 -2.516 0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.354 -4.529 0.093 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.459 -3.144 0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.478 -4.439 1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.370 -4.728 1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.366 -4.651 3.054 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.042 -3.487 2.813 1.00 0.00 H new ATOM 734 N GLN A 51 6.703 -0.217 5.167 1.00 0.00 N ATOM 735 CA GLN A 51 7.014 -0.009 6.571 1.00 0.00 C ATOM 736 C GLN A 51 5.880 0.754 7.258 1.00 0.00 C ATOM 737 O GLN A 51 5.601 0.530 8.435 1.00 0.00 O ATOM 738 CB GLN A 51 8.347 0.724 6.734 1.00 0.00 C ATOM 739 CG GLN A 51 9.490 -0.068 6.096 1.00 0.00 C ATOM 740 CD GLN A 51 10.731 -0.058 6.992 1.00 0.00 C ATOM 741 OE1 GLN A 51 10.651 -0.116 8.208 1.00 0.00 O ATOM 742 NE2 GLN A 51 11.879 0.020 6.325 1.00 0.00 N ATOM 0 H GLN A 51 7.293 0.304 4.518 1.00 0.00 H new ATOM 0 HA GLN A 51 7.112 -0.983 7.050 1.00 0.00 H new ATOM 0 HB2 GLN A 51 8.282 1.710 6.274 1.00 0.00 H new ATOM 0 HB3 GLN A 51 8.554 0.879 7.793 1.00 0.00 H new ATOM 0 HG2 GLN A 51 9.172 -1.096 5.921 1.00 0.00 H new ATOM 0 HG3 GLN A 51 9.735 0.360 5.124 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.875 0.066 5.306 1.00 0.00 H new ATOM 0 HE22 GLN A 51 12.764 0.034 6.832 1.00 0.00 H new ATOM 751 N LEU A 52 5.258 1.640 6.495 1.00 0.00 N ATOM 752 CA LEU A 52 4.161 2.437 7.016 1.00 0.00 C ATOM 753 C LEU A 52 2.832 1.806 6.595 1.00 0.00 C ATOM 754 O LEU A 52 1.780 2.434 6.704 1.00 0.00 O ATOM 755 CB LEU A 52 4.310 3.899 6.588 1.00 0.00 C ATOM 756 CG LEU A 52 5.520 4.643 7.155 1.00 0.00 C ATOM 757 CD1 LEU A 52 5.866 5.861 6.297 1.00 0.00 C ATOM 758 CD2 LEU A 52 5.294 5.020 8.621 1.00 0.00 C ATOM 0 H LEU A 52 5.493 1.824 5.520 1.00 0.00 H new ATOM 0 HA LEU A 52 4.180 2.444 8.106 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.363 3.935 5.500 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.408 4.436 6.881 1.00 0.00 H new ATOM 0 HG LEU A 52 6.379 3.973 7.123 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.730 6.372 6.722 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.099 5.537 5.283 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.016 6.543 6.274 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.169 5.548 9.000 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.419 5.665 8.700 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.133 4.116 9.208 1.00 0.00 H new ATOM 770 N ASN A 53 2.923 0.572 6.122 1.00 0.00 N ATOM 771 CA ASN A 53 1.742 -0.152 5.684 1.00 0.00 C ATOM 772 C ASN A 53 1.730 -1.539 6.329 1.00 0.00 C ATOM 773 O ASN A 53 1.283 -2.508 5.717 1.00 0.00 O ATOM 774 CB ASN A 53 1.740 -0.336 4.166 1.00 0.00 C ATOM 775 CG ASN A 53 1.251 0.930 3.460 1.00 0.00 C ATOM 776 OD1 ASN A 53 0.181 0.972 2.875 1.00 0.00 O ATOM 777 ND2 ASN A 53 2.091 1.957 3.548 1.00 0.00 N ATOM 0 H ASN A 53 3.797 0.055 6.032 1.00 0.00 H new ATOM 0 HA ASN A 53 0.865 0.425 5.978 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.746 -0.581 3.825 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.099 -1.176 3.899 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.855 2.848 3.110 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.971 1.854 4.053 1.00 0.00 H new ATOM 784 N HIS A 54 2.226 -1.590 7.557 1.00 0.00 N ATOM 785 CA HIS A 54 2.279 -2.843 8.291 1.00 0.00 C ATOM 786 C HIS A 54 2.652 -3.981 7.339 1.00 0.00 C ATOM 787 O HIS A 54 2.240 -5.122 7.538 1.00 0.00 O ATOM 788 CB HIS A 54 0.963 -3.095 9.029 1.00 0.00 C ATOM 789 CG HIS A 54 0.761 -2.220 10.243 1.00 0.00 C ATOM 790 ND1 HIS A 54 0.543 -0.856 10.155 1.00 0.00 N ATOM 791 CD2 HIS A 54 0.746 -2.528 11.571 1.00 0.00 C ATOM 792 CE1 HIS A 54 0.406 -0.375 11.382 1.00 0.00 C ATOM 793 NE2 HIS A 54 0.532 -1.412 12.258 1.00 0.00 N ATOM 0 H HIS A 54 2.595 -0.784 8.062 1.00 0.00 H new ATOM 0 HA HIS A 54 3.053 -2.788 9.056 1.00 0.00 H new ATOM 0 HB2 HIS A 54 0.135 -2.936 8.338 1.00 0.00 H new ATOM 0 HB3 HIS A 54 0.926 -4.140 9.337 1.00 0.00 H new ATOM 0 HD2 HIS A 54 0.885 -3.513 11.993 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.226 0.658 11.642 1.00 0.00 H new ATOM 0 HE2 HIS A 54 0.472 -1.342 13.274 1.00 0.00 H new ATOM 801 N MET A 55 3.429 -3.630 6.324 1.00 0.00 N ATOM 802 CA MET A 55 3.863 -4.607 5.341 1.00 0.00 C ATOM 803 C MET A 55 2.681 -5.108 4.508 1.00 0.00 C ATOM 804 O MET A 55 2.472 -6.314 4.382 1.00 0.00 O ATOM 805 CB MET A 55 4.523 -5.790 6.053 1.00 0.00 C ATOM 806 CG MET A 55 5.534 -5.307 7.095 1.00 0.00 C ATOM 807 SD MET A 55 7.162 -5.211 6.367 1.00 0.00 S ATOM 808 CE MET A 55 7.341 -3.439 6.242 1.00 0.00 C ATOM 0 H MET A 55 3.769 -2.682 6.162 1.00 0.00 H new ATOM 0 HA MET A 55 4.579 -4.129 4.672 1.00 0.00 H new ATOM 0 HB2 MET A 55 3.760 -6.400 6.537 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.023 -6.426 5.323 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.238 -4.329 7.475 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.546 -5.989 7.945 1.00 0.00 H new ATOM 0 HE1 MET A 55 8.333 -3.148 6.588 1.00 0.00 H new ATOM 0 HE2 MET A 55 7.215 -3.133 5.203 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.585 -2.953 6.858 1.00 0.00 H new ATOM 818 N SER A 56 1.940 -4.157 3.959 1.00 0.00 N ATOM 819 CA SER A 56 0.785 -4.487 3.142 1.00 0.00 C ATOM 820 C SER A 56 1.110 -4.266 1.663 1.00 0.00 C ATOM 821 O SER A 56 1.709 -3.255 1.299 1.00 0.00 O ATOM 822 CB SER A 56 -0.433 -3.653 3.547 1.00 0.00 C ATOM 823 OG SER A 56 -1.304 -4.370 4.417 1.00 0.00 O ATOM 0 H SER A 56 2.117 -3.158 4.064 1.00 0.00 H new ATOM 0 HA SER A 56 0.542 -5.538 3.302 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.100 -2.740 4.040 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.980 -3.352 2.653 1.00 0.00 H new ATOM 0 HG SER A 56 -1.510 -3.819 5.201 1.00 0.00 H new ATOM 829 N VAL A 57 0.702 -5.230 0.850 1.00 0.00 N ATOM 830 CA VAL A 57 0.943 -5.154 -0.581 1.00 0.00 C ATOM 831 C VAL A 57 -0.029 -4.150 -1.205 1.00 0.00 C ATOM 832 O VAL A 57 0.370 -3.316 -2.015 1.00 0.00 O ATOM 833 CB VAL A 57 0.844 -6.548 -1.203 1.00 0.00 C ATOM 834 CG1 VAL A 57 0.345 -6.470 -2.647 1.00 0.00 C ATOM 835 CG2 VAL A 57 2.185 -7.280 -1.125 1.00 0.00 C ATOM 0 H VAL A 57 0.206 -6.068 1.155 1.00 0.00 H new ATOM 0 HA VAL A 57 1.953 -4.795 -0.780 1.00 0.00 H new ATOM 0 HB VAL A 57 0.116 -7.120 -0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.284 -7.475 -3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.642 -6.008 -2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.037 -5.872 -3.239 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.087 -8.268 -1.574 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.942 -6.710 -1.664 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.483 -7.384 -0.082 1.00 0.00 H new ATOM 845 N PRO A 58 -1.320 -4.267 -0.792 1.00 0.00 N ATOM 846 CA PRO A 58 -2.352 -3.380 -1.302 1.00 0.00 C ATOM 847 C PRO A 58 -2.240 -1.990 -0.672 1.00 0.00 C ATOM 848 O PRO A 58 -1.987 -1.008 -1.367 1.00 0.00 O ATOM 849 CB PRO A 58 -3.664 -4.076 -0.977 1.00 0.00 C ATOM 850 CG PRO A 58 -3.340 -5.092 0.106 1.00 0.00 C ATOM 851 CD PRO A 58 -1.829 -5.244 0.166 1.00 0.00 C ATOM 0 HA PRO A 58 -2.265 -3.205 -2.374 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -4.410 -3.361 -0.631 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -4.076 -4.564 -1.860 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -3.729 -4.761 1.069 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -3.811 -6.049 -0.116 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -1.451 -5.049 1.169 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.522 -6.256 -0.099 1.00 0.00 H new ATOM 859 N GLN A 59 -2.435 -1.952 0.638 1.00 0.00 N ATOM 860 CA GLN A 59 -2.359 -0.699 1.370 1.00 0.00 C ATOM 861 C GLN A 59 -1.201 0.153 0.846 1.00 0.00 C ATOM 862 O GLN A 59 -1.385 1.325 0.523 1.00 0.00 O ATOM 863 CB GLN A 59 -2.219 -0.949 2.873 1.00 0.00 C ATOM 864 CG GLN A 59 -3.366 -1.818 3.393 1.00 0.00 C ATOM 865 CD GLN A 59 -4.300 -1.010 4.297 1.00 0.00 C ATOM 866 OE1 GLN A 59 -5.188 -0.306 3.844 1.00 0.00 O ATOM 867 NE2 GLN A 59 -4.050 -1.149 5.596 1.00 0.00 N ATOM 0 H GLN A 59 -2.646 -2.769 1.211 1.00 0.00 H new ATOM 0 HA GLN A 59 -3.288 -0.152 1.211 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.266 -1.438 3.077 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -2.209 0.003 3.404 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.929 -2.224 2.553 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.963 -2.666 3.946 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.291 -1.755 5.907 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.618 -0.650 6.281 1.00 0.00 H new ATOM 876 N ALA A 60 -0.034 -0.470 0.777 1.00 0.00 N ATOM 877 CA ALA A 60 1.153 0.216 0.297 1.00 0.00 C ATOM 878 C ALA A 60 0.809 0.992 -0.976 1.00 0.00 C ATOM 879 O ALA A 60 1.156 2.166 -1.104 1.00 0.00 O ATOM 880 CB ALA A 60 2.276 -0.800 0.074 1.00 0.00 C ATOM 0 H ALA A 60 0.115 -1.443 1.046 1.00 0.00 H new ATOM 0 HA ALA A 60 1.505 0.935 1.037 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.166 -0.285 -0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.503 -1.303 1.014 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.959 -1.536 -0.665 1.00 0.00 H new ATOM 886 N MET A 61 0.131 0.306 -1.884 1.00 0.00 N ATOM 887 CA MET A 61 -0.263 0.917 -3.142 1.00 0.00 C ATOM 888 C MET A 61 -0.901 2.288 -2.910 1.00 0.00 C ATOM 889 O MET A 61 -0.370 3.306 -3.350 1.00 0.00 O ATOM 890 CB MET A 61 -1.260 0.005 -3.862 1.00 0.00 C ATOM 891 CG MET A 61 -1.102 0.112 -5.380 1.00 0.00 C ATOM 892 SD MET A 61 -2.691 -0.071 -6.173 1.00 0.00 S ATOM 893 CE MET A 61 -3.223 -1.613 -5.449 1.00 0.00 C ATOM 0 H MET A 61 -0.156 -0.667 -1.774 1.00 0.00 H new ATOM 0 HA MET A 61 0.629 1.051 -3.754 1.00 0.00 H new ATOM 0 HB2 MET A 61 -1.106 -1.028 -3.548 1.00 0.00 H new ATOM 0 HB3 MET A 61 -2.277 0.276 -3.578 1.00 0.00 H new ATOM 0 HG2 MET A 61 -0.665 1.076 -5.641 1.00 0.00 H new ATOM 0 HG3 MET A 61 -0.417 -0.657 -5.738 1.00 0.00 H new ATOM 0 HE1 MET A 61 -3.989 -2.066 -6.079 1.00 0.00 H new ATOM 0 HE2 MET A 61 -2.372 -2.290 -5.369 1.00 0.00 H new ATOM 0 HE3 MET A 61 -3.633 -1.427 -4.456 1.00 0.00 H new ATOM 903 N GLU A 62 -2.031 2.270 -2.218 1.00 0.00 N ATOM 904 CA GLU A 62 -2.747 3.499 -1.922 1.00 0.00 C ATOM 905 C GLU A 62 -1.803 4.524 -1.291 1.00 0.00 C ATOM 906 O GLU A 62 -1.799 5.691 -1.679 1.00 0.00 O ATOM 907 CB GLU A 62 -3.949 3.229 -1.015 1.00 0.00 C ATOM 908 CG GLU A 62 -5.129 2.676 -1.817 1.00 0.00 C ATOM 909 CD GLU A 62 -6.061 3.803 -2.267 1.00 0.00 C ATOM 910 OE1 GLU A 62 -6.946 4.163 -1.460 1.00 0.00 O ATOM 911 OE2 GLU A 62 -5.868 4.278 -3.406 1.00 0.00 O ATOM 0 H GLU A 62 -2.468 1.423 -1.854 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.125 3.910 -2.858 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.669 2.519 -0.237 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.245 4.151 -0.514 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -4.760 2.135 -2.688 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.684 1.961 -1.209 1.00 0.00 H new ATOM 918 N TRP A 63 -1.026 4.051 -0.328 1.00 0.00 N ATOM 919 CA TRP A 63 -0.079 4.912 0.361 1.00 0.00 C ATOM 920 C TRP A 63 0.873 5.498 -0.683 1.00 0.00 C ATOM 921 O TRP A 63 1.323 6.635 -0.549 1.00 0.00 O ATOM 922 CB TRP A 63 0.647 4.151 1.472 1.00 0.00 C ATOM 923 CG TRP A 63 1.527 5.033 2.359 1.00 0.00 C ATOM 924 CD1 TRP A 63 1.308 5.410 3.626 1.00 0.00 C ATOM 925 CD2 TRP A 63 2.785 5.639 1.991 1.00 0.00 C ATOM 926 NE1 TRP A 63 2.327 6.210 4.100 1.00 0.00 N ATOM 927 CE2 TRP A 63 3.254 6.354 3.074 1.00 0.00 C ATOM 928 CE3 TRP A 63 3.502 5.584 0.783 1.00 0.00 C ATOM 929 CZ2 TRP A 63 4.458 7.068 3.058 1.00 0.00 C ATOM 930 CZ3 TRP A 63 4.703 6.303 0.783 1.00 0.00 C ATOM 931 CH2 TRP A 63 5.189 7.028 1.865 1.00 0.00 C ATOM 0 H TRP A 63 -1.033 3.082 -0.008 1.00 0.00 H new ATOM 0 HA TRP A 63 -0.596 5.732 0.860 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -0.092 3.648 2.096 1.00 0.00 H new ATOM 0 HB3 TRP A 63 1.266 3.375 1.022 1.00 0.00 H new ATOM 0 HD1 TRP A 63 0.442 5.123 4.204 1.00 0.00 H new ATOM 0 HE1 TRP A 63 2.389 6.620 5.032 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.154 5.031 -0.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 4.804 7.620 3.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 5.294 6.294 -0.121 1.00 0.00 H new ATOM 0 HH2 TRP A 63 6.127 7.558 1.785 1.00 0.00 H new ATOM 942 N LEU A 64 1.153 4.696 -1.700 1.00 0.00 N ATOM 943 CA LEU A 64 2.044 5.121 -2.766 1.00 0.00 C ATOM 944 C LEU A 64 1.302 6.090 -3.688 1.00 0.00 C ATOM 945 O LEU A 64 1.910 6.987 -4.271 1.00 0.00 O ATOM 946 CB LEU A 64 2.628 3.907 -3.492 1.00 0.00 C ATOM 947 CG LEU A 64 3.766 3.180 -2.773 1.00 0.00 C ATOM 948 CD1 LEU A 64 4.008 1.799 -3.386 1.00 0.00 C ATOM 949 CD2 LEU A 64 5.037 4.031 -2.758 1.00 0.00 C ATOM 0 H LEU A 64 0.778 3.754 -1.808 1.00 0.00 H new ATOM 0 HA LEU A 64 2.898 5.660 -2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.823 3.194 -3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.990 4.231 -4.468 1.00 0.00 H new ATOM 0 HG LEU A 64 3.470 3.024 -1.735 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.822 1.303 -2.857 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.102 1.199 -3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.273 1.909 -4.438 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.830 3.491 -2.241 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.347 4.239 -3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.840 4.970 -2.240 1.00 0.00 H new ATOM 961 N ILE A 65 -0.002 5.878 -3.792 1.00 0.00 N ATOM 962 CA ILE A 65 -0.833 6.722 -4.633 1.00 0.00 C ATOM 963 C ILE A 65 -1.031 8.078 -3.951 1.00 0.00 C ATOM 964 O ILE A 65 -1.136 9.104 -4.621 1.00 0.00 O ATOM 965 CB ILE A 65 -2.143 6.011 -4.978 1.00 0.00 C ATOM 966 CG1 ILE A 65 -1.876 4.710 -5.738 1.00 0.00 C ATOM 967 CG2 ILE A 65 -3.086 6.940 -5.746 1.00 0.00 C ATOM 968 CD1 ILE A 65 -2.962 3.672 -5.445 1.00 0.00 C ATOM 0 H ILE A 65 -0.503 5.134 -3.307 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.340 6.913 -5.586 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.642 5.744 -4.047 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.839 4.911 -6.809 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.902 4.312 -5.455 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.009 6.410 -5.979 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.313 7.814 -5.135 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.608 7.259 -6.672 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.749 2.757 -5.997 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.980 3.456 -4.377 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.932 4.063 -5.752 1.00 0.00 H new ATOM 980 N GLU A 66 -1.074 8.038 -2.628 1.00 0.00 N ATOM 981 CA GLU A 66 -1.257 9.250 -1.848 1.00 0.00 C ATOM 982 C GLU A 66 0.071 9.996 -1.708 1.00 0.00 C ATOM 983 O GLU A 66 0.221 11.105 -2.218 1.00 0.00 O ATOM 984 CB GLU A 66 -1.857 8.934 -0.476 1.00 0.00 C ATOM 985 CG GLU A 66 -3.214 9.617 -0.301 1.00 0.00 C ATOM 986 CD GLU A 66 -3.063 11.139 -0.267 1.00 0.00 C ATOM 987 OE1 GLU A 66 -2.137 11.602 0.434 1.00 0.00 O ATOM 988 OE2 GLU A 66 -3.875 11.806 -0.943 1.00 0.00 O ATOM 0 H GLU A 66 -0.985 7.185 -2.076 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.960 9.896 -2.375 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.972 7.856 -0.365 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.176 9.265 0.308 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.876 9.332 -1.118 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.681 9.274 0.622 1.00 0.00 H new ATOM 995 N HIS A 67 1.001 9.358 -1.013 1.00 0.00 N ATOM 996 CA HIS A 67 2.312 9.948 -0.799 1.00 0.00 C ATOM 997 C HIS A 67 2.940 10.306 -2.147 1.00 0.00 C ATOM 998 O HIS A 67 3.849 11.132 -2.213 1.00 0.00 O ATOM 999 CB HIS A 67 3.195 9.020 0.038 1.00 0.00 C ATOM 1000 CG HIS A 67 2.852 9.008 1.509 1.00 0.00 C ATOM 1001 ND1 HIS A 67 3.669 9.571 2.473 1.00 0.00 N ATOM 1002 CD2 HIS A 67 1.774 8.496 2.168 1.00 0.00 C ATOM 1003 CE1 HIS A 67 3.099 9.400 3.657 1.00 0.00 C ATOM 1004 NE2 HIS A 67 1.924 8.733 3.466 1.00 0.00 N ATOM 0 H HIS A 67 0.873 8.438 -0.591 1.00 0.00 H new ATOM 0 HA HIS A 67 2.210 10.871 -0.228 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.111 8.006 -0.352 1.00 0.00 H new ATOM 0 HB3 HIS A 67 4.236 9.322 -0.080 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.939 7.984 1.712 1.00 0.00 H new ATOM 0 HE1 HIS A 67 3.495 9.730 4.606 1.00 0.00 H new ATOM 0 HE2 HIS A 67 1.269 8.461 4.199 1.00 0.00 H new ATOM 1012 N ALA A 68 2.429 9.668 -3.190 1.00 0.00 N ATOM 1013 CA ALA A 68 2.928 9.910 -4.533 1.00 0.00 C ATOM 1014 C ALA A 68 3.067 11.417 -4.757 1.00 0.00 C ATOM 1015 O ALA A 68 4.037 11.871 -5.364 1.00 0.00 O ATOM 1016 CB ALA A 68 1.994 9.252 -5.551 1.00 0.00 C ATOM 0 H ALA A 68 1.675 8.984 -3.132 1.00 0.00 H new ATOM 0 HA ALA A 68 3.915 9.466 -4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.368 9.433 -6.559 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.953 8.178 -5.367 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.994 9.675 -5.454 1.00 0.00 H new ATOM 1022 N GLU A 69 2.085 12.151 -4.257 1.00 0.00 N ATOM 1023 CA GLU A 69 2.085 13.597 -4.395 1.00 0.00 C ATOM 1024 C GLU A 69 3.070 14.224 -3.406 1.00 0.00 C ATOM 1025 O GLU A 69 3.711 15.227 -3.715 1.00 0.00 O ATOM 1026 CB GLU A 69 0.678 14.167 -4.203 1.00 0.00 C ATOM 1027 CG GLU A 69 -0.199 13.882 -5.424 1.00 0.00 C ATOM 1028 CD GLU A 69 -1.243 14.985 -5.618 1.00 0.00 C ATOM 1029 OE1 GLU A 69 -0.882 16.003 -6.248 1.00 0.00 O ATOM 1030 OE2 GLU A 69 -2.377 14.785 -5.131 1.00 0.00 O ATOM 0 H GLU A 69 1.283 11.771 -3.755 1.00 0.00 H new ATOM 0 HA GLU A 69 2.407 13.846 -5.406 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.223 13.731 -3.314 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.737 15.242 -4.036 1.00 0.00 H new ATOM 0 HG2 GLU A 69 0.425 13.806 -6.315 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -0.698 12.921 -5.301 1.00 0.00 H new ATOM 1037 N ASP A 70 3.160 13.607 -2.237 1.00 0.00 N ATOM 1038 CA ASP A 70 4.056 14.092 -1.201 1.00 0.00 C ATOM 1039 C ASP A 70 5.479 14.168 -1.758 1.00 0.00 C ATOM 1040 O ASP A 70 6.013 13.172 -2.243 1.00 0.00 O ATOM 1041 CB ASP A 70 4.069 13.148 0.002 1.00 0.00 C ATOM 1042 CG ASP A 70 4.767 13.698 1.248 1.00 0.00 C ATOM 1043 OD1 ASP A 70 4.600 14.910 1.503 1.00 0.00 O ATOM 1044 OD2 ASP A 70 5.451 12.893 1.917 1.00 0.00 O ATOM 0 H ASP A 70 2.627 12.775 -1.984 1.00 0.00 H new ATOM 0 HA ASP A 70 3.705 15.074 -0.885 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.040 12.899 0.261 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.558 12.219 -0.290 1.00 0.00 H new ATOM 1049 N PRO A 71 6.067 15.391 -1.669 1.00 0.00 N ATOM 1050 CA PRO A 71 7.417 15.610 -2.158 1.00 0.00 C ATOM 1051 C PRO A 71 8.450 15.005 -1.205 1.00 0.00 C ATOM 1052 O PRO A 71 9.584 14.737 -1.601 1.00 0.00 O ATOM 1053 CB PRO A 71 7.547 17.118 -2.294 1.00 0.00 C ATOM 1054 CG PRO A 71 6.436 17.711 -1.442 1.00 0.00 C ATOM 1055 CD PRO A 71 5.464 16.593 -1.101 1.00 0.00 C ATOM 0 HA PRO A 71 7.602 15.120 -3.114 1.00 0.00 H new ATOM 0 HB2 PRO A 71 8.525 17.458 -1.953 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.448 17.426 -3.335 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.846 18.151 -0.533 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.926 18.509 -1.981 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.332 16.498 -0.023 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.479 16.781 -1.528 1.00 0.00 H new ATOM 1063 N THR A 72 8.022 14.807 0.033 1.00 0.00 N ATOM 1064 CA THR A 72 8.896 14.239 1.046 1.00 0.00 C ATOM 1065 C THR A 72 8.496 12.793 1.344 1.00 0.00 C ATOM 1066 O THR A 72 7.987 12.495 2.423 1.00 0.00 O ATOM 1067 CB THR A 72 8.848 15.148 2.275 1.00 0.00 C ATOM 1068 OG1 THR A 72 7.483 15.112 2.682 1.00 0.00 O ATOM 1069 CG2 THR A 72 9.094 16.618 1.927 1.00 0.00 C ATOM 0 H THR A 72 7.081 15.030 0.358 1.00 0.00 H new ATOM 0 HA THR A 72 9.928 14.193 0.698 1.00 0.00 H new ATOM 0 HB THR A 72 9.592 14.817 2.999 1.00 0.00 H new ATOM 0 HG1 THR A 72 7.245 14.199 2.947 1.00 0.00 H new ATOM 0 HG21 THR A 72 9.049 17.219 2.835 1.00 0.00 H new ATOM 0 HG22 THR A 72 10.078 16.724 1.470 1.00 0.00 H new ATOM 0 HG23 THR A 72 8.330 16.959 1.228 1.00 0.00 H new ATOM 1077 N ILE A 73 8.743 11.931 0.368 1.00 0.00 N ATOM 1078 CA ILE A 73 8.416 10.523 0.512 1.00 0.00 C ATOM 1079 C ILE A 73 9.700 9.727 0.754 1.00 0.00 C ATOM 1080 O ILE A 73 9.725 8.819 1.583 1.00 0.00 O ATOM 1081 CB ILE A 73 7.607 10.035 -0.692 1.00 0.00 C ATOM 1082 CG1 ILE A 73 7.774 8.527 -0.890 1.00 0.00 C ATOM 1083 CG2 ILE A 73 7.971 10.822 -1.952 1.00 0.00 C ATOM 1084 CD1 ILE A 73 6.519 7.913 -1.511 1.00 0.00 C ATOM 0 H ILE A 73 9.166 12.181 -0.526 1.00 0.00 H new ATOM 0 HA ILE A 73 7.776 10.368 1.381 1.00 0.00 H new ATOM 0 HB ILE A 73 6.551 10.218 -0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.633 8.334 -1.532 1.00 0.00 H new ATOM 0 HG13 ILE A 73 7.979 8.051 0.069 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.382 10.455 -2.793 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.759 11.880 -1.794 1.00 0.00 H new ATOM 0 HG23 ILE A 73 9.031 10.693 -2.168 1.00 0.00 H new ATOM 0 HD11 ILE A 73 6.665 6.841 -1.641 1.00 0.00 H new ATOM 0 HD12 ILE A 73 5.666 8.087 -0.855 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.330 8.374 -2.481 1.00 0.00 H new ATOM 1096 N ASP A 74 10.735 10.097 0.014 1.00 0.00 N ATOM 1097 CA ASP A 74 12.020 9.429 0.137 1.00 0.00 C ATOM 1098 C ASP A 74 13.062 10.428 0.644 1.00 0.00 C ATOM 1099 O ASP A 74 13.658 11.162 -0.143 1.00 0.00 O ATOM 1100 CB ASP A 74 12.495 8.895 -1.215 1.00 0.00 C ATOM 1101 CG ASP A 74 11.602 9.258 -2.403 1.00 0.00 C ATOM 1102 OD1 ASP A 74 11.255 10.454 -2.509 1.00 0.00 O ATOM 1103 OD2 ASP A 74 11.287 8.330 -3.180 1.00 0.00 O ATOM 0 H ASP A 74 10.710 10.851 -0.673 1.00 0.00 H new ATOM 0 HA ASP A 74 11.903 8.597 0.832 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.499 9.273 -1.406 1.00 0.00 H new ATOM 0 HB3 ASP A 74 12.570 7.809 -1.154 1.00 0.00 H new ATOM 1108 N THR A 75 13.251 10.424 1.956 1.00 0.00 N ATOM 1109 CA THR A 75 14.211 11.320 2.577 1.00 0.00 C ATOM 1110 C THR A 75 13.834 12.777 2.305 1.00 0.00 C ATOM 1111 O THR A 75 13.140 13.072 1.332 1.00 0.00 O ATOM 1112 CB THR A 75 15.604 10.947 2.066 1.00 0.00 C ATOM 1113 OG1 THR A 75 16.429 11.014 3.227 1.00 0.00 O ATOM 1114 CG2 THR A 75 16.189 12.009 1.132 1.00 0.00 C ATOM 0 H THR A 75 12.755 9.814 2.606 1.00 0.00 H new ATOM 0 HA THR A 75 14.207 11.214 3.662 1.00 0.00 H new ATOM 0 HB THR A 75 15.555 9.991 1.544 1.00 0.00 H new ATOM 0 HG1 THR A 75 17.231 11.540 3.028 1.00 0.00 H new ATOM 0 HG21 THR A 75 17.178 11.695 0.798 1.00 0.00 H new ATOM 0 HG22 THR A 75 15.537 12.133 0.268 1.00 0.00 H new ATOM 0 HG23 THR A 75 16.270 12.957 1.664 1.00 0.00 H new ATOM 1122 N PRO A 76 14.319 13.674 3.204 1.00 0.00 N ATOM 1123 CA PRO A 76 14.040 15.094 3.070 1.00 0.00 C ATOM 1124 C PRO A 76 14.876 15.714 1.949 1.00 0.00 C ATOM 1125 O PRO A 76 15.674 15.027 1.312 1.00 0.00 O ATOM 1126 CB PRO A 76 14.348 15.686 4.436 1.00 0.00 C ATOM 1127 CG PRO A 76 15.225 14.666 5.144 1.00 0.00 C ATOM 1128 CD PRO A 76 15.144 13.362 4.368 1.00 0.00 C ATOM 0 HA PRO A 76 13.007 15.294 2.787 1.00 0.00 H new ATOM 0 HB2 PRO A 76 14.861 16.643 4.340 1.00 0.00 H new ATOM 0 HB3 PRO A 76 13.432 15.870 4.997 1.00 0.00 H new ATOM 0 HG2 PRO A 76 16.256 15.017 5.193 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.889 14.521 6.171 1.00 0.00 H new ATOM 0 HD2 PRO A 76 16.134 13.016 4.071 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.697 12.570 4.969 1.00 0.00 H new ATOM 1136 N LEU A 77 14.664 17.005 1.741 1.00 0.00 N ATOM 1137 CA LEU A 77 15.388 17.725 0.707 1.00 0.00 C ATOM 1138 C LEU A 77 16.744 18.173 1.257 1.00 0.00 C ATOM 1139 O LEU A 77 17.785 17.871 0.675 1.00 0.00 O ATOM 1140 CB LEU A 77 14.538 18.872 0.157 1.00 0.00 C ATOM 1141 CG LEU A 77 14.369 18.914 -1.363 1.00 0.00 C ATOM 1142 CD1 LEU A 77 13.029 19.543 -1.749 1.00 0.00 C ATOM 1143 CD2 LEU A 77 15.549 19.627 -2.026 1.00 0.00 C ATOM 0 H LEU A 77 14.001 17.571 2.271 1.00 0.00 H new ATOM 0 HA LEU A 77 15.588 17.072 -0.142 1.00 0.00 H new ATOM 0 HB2 LEU A 77 13.549 18.814 0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.982 19.814 0.479 1.00 0.00 H new ATOM 0 HG LEU A 77 14.362 17.889 -1.734 1.00 0.00 H new ATOM 0 HD11 LEU A 77 12.935 19.560 -2.835 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.215 18.956 -1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 77 12.981 20.562 -1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 77 15.404 19.643 -3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 77 15.613 20.649 -1.653 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.472 19.097 -1.792 1.00 0.00 H new ATOM 1155 N SER A 78 16.687 18.887 2.372 1.00 0.00 N ATOM 1156 CA SER A 78 17.897 19.379 3.008 1.00 0.00 C ATOM 1157 C SER A 78 17.688 19.488 4.520 1.00 0.00 C ATOM 1158 O SER A 78 17.557 20.587 5.054 1.00 0.00 O ATOM 1159 CB SER A 78 18.310 20.735 2.431 1.00 0.00 C ATOM 1160 OG SER A 78 19.662 21.059 2.744 1.00 0.00 O ATOM 0 H SER A 78 15.822 19.136 2.851 1.00 0.00 H new ATOM 0 HA SER A 78 18.700 18.669 2.809 1.00 0.00 H new ATOM 0 HB2 SER A 78 18.181 20.723 1.349 1.00 0.00 H new ATOM 0 HB3 SER A 78 17.652 21.511 2.822 1.00 0.00 H new ATOM 0 HG SER A 78 19.888 21.931 2.357 1.00 0.00 H new ATOM 1166 N GLY A 79 17.663 18.331 5.166 1.00 0.00 N ATOM 1167 CA GLY A 79 17.472 18.282 6.605 1.00 0.00 C ATOM 1168 C GLY A 79 16.055 18.719 6.985 1.00 0.00 C ATOM 1169 O GLY A 79 15.122 18.564 6.199 1.00 0.00 O ATOM 0 H GLY A 79 17.772 17.421 4.719 1.00 0.00 H new ATOM 0 HA2 GLY A 79 17.653 17.269 6.965 1.00 0.00 H new ATOM 0 HA3 GLY A 79 18.200 18.929 7.094 1.00 0.00 H new ATOM 1173 N PRO A 80 15.937 19.272 8.222 1.00 0.00 N ATOM 1174 CA PRO A 80 14.651 19.733 8.716 1.00 0.00 C ATOM 1175 C PRO A 80 14.249 21.051 8.051 1.00 0.00 C ATOM 1176 O PRO A 80 15.084 21.731 7.457 1.00 0.00 O ATOM 1177 CB PRO A 80 14.829 19.857 10.221 1.00 0.00 C ATOM 1178 CG PRO A 80 16.329 19.910 10.460 1.00 0.00 C ATOM 1179 CD PRO A 80 17.021 19.472 9.180 1.00 0.00 C ATOM 0 HA PRO A 80 13.839 19.046 8.480 1.00 0.00 H new ATOM 0 HB2 PRO A 80 14.341 20.755 10.599 1.00 0.00 H new ATOM 0 HB3 PRO A 80 14.381 19.009 10.739 1.00 0.00 H new ATOM 0 HG2 PRO A 80 16.636 20.919 10.734 1.00 0.00 H new ATOM 0 HG3 PRO A 80 16.607 19.257 11.287 1.00 0.00 H new ATOM 0 HD2 PRO A 80 17.723 20.229 8.831 1.00 0.00 H new ATOM 0 HD3 PRO A 80 17.590 18.555 9.331 1.00 0.00 H new ATOM 1187 N SER A 81 12.969 21.372 8.174 1.00 0.00 N ATOM 1188 CA SER A 81 12.446 22.597 7.592 1.00 0.00 C ATOM 1189 C SER A 81 12.928 23.806 8.396 1.00 0.00 C ATOM 1190 O SER A 81 13.139 23.708 9.604 1.00 0.00 O ATOM 1191 CB SER A 81 10.917 22.571 7.538 1.00 0.00 C ATOM 1192 OG SER A 81 10.436 22.051 6.301 1.00 0.00 O ATOM 0 H SER A 81 12.279 20.806 8.668 1.00 0.00 H new ATOM 0 HA SER A 81 12.818 22.677 6.571 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.535 21.964 8.359 1.00 0.00 H new ATOM 0 HB3 SER A 81 10.532 23.581 7.681 1.00 0.00 H new ATOM 0 HG SER A 81 9.456 22.049 6.306 1.00 0.00 H new ATOM 1198 N SER A 82 13.089 24.918 7.694 1.00 0.00 N ATOM 1199 CA SER A 82 13.542 26.144 8.327 1.00 0.00 C ATOM 1200 C SER A 82 13.564 27.283 7.306 1.00 0.00 C ATOM 1201 O SER A 82 14.497 27.393 6.513 1.00 0.00 O ATOM 1202 CB SER A 82 14.928 25.963 8.950 1.00 0.00 C ATOM 1203 OG SER A 82 15.935 25.763 7.962 1.00 0.00 O ATOM 0 H SER A 82 12.914 24.995 6.692 1.00 0.00 H new ATOM 0 HA SER A 82 12.844 26.394 9.126 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.175 26.841 9.547 1.00 0.00 H new ATOM 0 HB3 SER A 82 14.912 25.110 9.629 1.00 0.00 H new ATOM 0 HG SER A 82 15.647 26.163 7.115 1.00 0.00 H new ATOM 1209 N GLY A 83 12.524 28.103 7.359 1.00 0.00 N ATOM 1210 CA GLY A 83 12.412 29.230 6.449 1.00 0.00 C ATOM 1211 C GLY A 83 11.482 30.304 7.018 1.00 0.00 C ATOM 1212 O GLY A 83 11.263 30.363 8.226 1.00 0.00 O ATOM 0 H GLY A 83 11.751 28.009 8.018 1.00 0.00 H new ATOM 0 HA2 GLY A 83 13.399 29.656 6.269 1.00 0.00 H new ATOM 0 HA3 GLY A 83 12.032 28.888 5.486 1.00 0.00 H new TER 1216 GLY A 83