USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 681 hydrogens (31 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 NoAdj-H: A 92 PLM H : A 92 PLM O1 : A 92 PLM C1 :(short bond) USER MOD Set 1.1: A 80 THR OG1 : rot -21:sc= 0.958 USER MOD Set 1.2: A 82 SER OG : rot 94:sc= 0.604 USER MOD Set 2.1: A 35 HIS : no HE2:sc= 1.02 K(o=2.3,f=-3.6!) USER MOD Set 2.2: A 79 TYR OH : rot 106:sc= 1.29! USER MOD Set 3.1: A 16 TYR OH : rot -166:sc= 1.61 USER MOD Set 3.2: A 68 SER OG : rot -125:sc= 1.2 USER MOD Set 4.1: A 64 ASN : amide:sc= 0 X(o=-4,f=-4) USER MOD Set 4.2: A 65 ASN : amide:sc= -4.02! C(o=-4!,f=-7.5!) USER MOD Set 5.1: A 45 GLN : amide:sc= -11.2! C(o=-11!,f=-4.2!) USER MOD Set 5.2: A 46 THR OG1 : rot 180:sc= 0.133 USER MOD Set 6.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 6.2: A 18 GLN : amide:sc= -9.07! C(o=-9.1!,f=-15!) USER MOD Set 7.1: A 9 LYS NZ :NH3+ 180:sc= 0.367 (180deg=0.543) USER MOD Set 7.2: A 10 MET CE :methyl -155:sc= -6.44 (180deg=-6.94!) USER MOD Set 8.1: A 1 LEU N :NH3+ -136:sc= 1.3 (180deg=-0.0456) USER MOD Set 8.2: A 2 ASN : amide:sc= 0.189! C(o=1.6!,f=-9.2!) USER MOD Set 8.3: A 5 GLN : amide:sc= 0.152 K(o=1.6,f=-9.9!) USER MOD Single : A 8 SER OG : rot 71:sc= 1.28 USER MOD Single : A 11 LYS NZ :NH3+ 177:sc= -0.651 (180deg=-0.804) USER MOD Single : A 24 SER OG : rot 180:sc= 0.172 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 36 ASN : amide:sc= 1.08 K(o=1.1,f=-0.023) USER MOD Single : A 37 GLN : amide:sc= -2.89! K(o=-2.9!,f=-0.082) USER MOD Single : A 39 GLN : amide:sc= -3.83! C(o=-3.8!,f=-3.4!) USER MOD Single : A 40 SER OG : rot -125:sc= 0.439 USER MOD Single : A 41 SER OG : rot -113:sc= 1.01 USER MOD Single : A 49 ASN : amide:sc= -9.22! C(o=-9.2!,f=-11!) USER MOD Single : A 52 LYS NZ :NH3+ -128:sc= 1.3 (180deg=-0.543) USER MOD Single : A 59 HIS : no HE2:sc= -0.173! C(o=-0.17!,f=-4.2!) USER MOD Single : A 60 ASN : amide:sc= -2.88! K(o=-2.9!,f=-0.85) USER MOD Single : A 62 ASN : amide:sc= -2.63! K(o=-2.6!,f=-1.7) USER MOD Single : A 71 SER OG : rot 101:sc= 0.751 USER MOD Single : A 72 LYS NZ :NH3+ 173:sc= -1.04! (180deg=-1.13!) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= -2.31! K(o=-2.3!,f=-1.3) USER MOD Single : A 88 SER OG : rot 123:sc= 1.01 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -7.664 -1.812 11.660 1.00 0.00 N ATOM 2 CA LEU A 1 -7.241 -1.625 10.225 1.00 0.00 C ATOM 3 C LEU A 1 -7.822 -0.270 9.770 1.00 0.00 C ATOM 4 O LEU A 1 -8.552 -0.144 8.813 1.00 0.00 O ATOM 5 CB LEU A 1 -7.773 -2.868 9.429 1.00 0.00 C ATOM 6 CG LEU A 1 -7.301 -2.907 7.938 1.00 0.00 C ATOM 7 CD1 LEU A 1 -6.809 -4.339 7.619 1.00 0.00 C ATOM 8 CD2 LEU A 1 -8.511 -2.652 6.999 1.00 0.00 C ATOM 0 H1 LEU A 1 -6.858 -2.162 12.217 1.00 0.00 H new ATOM 0 H2 LEU A 1 -7.985 -0.902 12.049 1.00 0.00 H new ATOM 0 H3 LEU A 1 -8.441 -2.501 11.706 1.00 0.00 H new ATOM 0 HA LEU A 1 -6.164 -1.584 10.063 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -7.442 -3.778 9.930 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -8.863 -2.867 9.456 1.00 0.00 H new ATOM 0 HG LEU A 1 -6.524 -2.157 7.793 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -6.475 -4.387 6.582 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -5.980 -4.594 8.279 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -7.625 -5.046 7.770 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -8.178 -2.680 5.961 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -9.265 -3.423 7.159 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -8.940 -1.674 7.216 1.00 0.00 H new ATOM 22 N ASN A 2 -7.451 0.728 10.519 1.00 0.00 N ATOM 23 CA ASN A 2 -7.886 2.145 10.287 1.00 0.00 C ATOM 24 C ASN A 2 -6.675 3.043 9.982 1.00 0.00 C ATOM 25 O ASN A 2 -5.744 3.019 10.750 1.00 0.00 O ATOM 26 CB ASN A 2 -8.622 2.580 11.576 1.00 0.00 C ATOM 27 CG ASN A 2 -7.886 2.051 12.812 1.00 0.00 C ATOM 28 OD1 ASN A 2 -7.738 0.855 12.996 1.00 0.00 O ATOM 29 ND2 ASN A 2 -7.410 2.886 13.674 1.00 0.00 N ATOM 0 H ASN A 2 -6.833 0.619 11.323 1.00 0.00 H new ATOM 0 HA ASN A 2 -8.544 2.232 9.423 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -8.684 3.667 11.619 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -9.645 2.203 11.564 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -6.916 2.543 14.498 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -7.527 3.889 13.531 1.00 0.00 H new ATOM 36 N CYS A 3 -6.709 3.797 8.910 1.00 0.00 N ATOM 37 CA CYS A 3 -5.585 4.727 8.489 1.00 0.00 C ATOM 38 C CYS A 3 -4.215 4.706 9.223 1.00 0.00 C ATOM 39 O CYS A 3 -3.197 4.247 8.728 1.00 0.00 O ATOM 40 CB CYS A 3 -6.165 6.138 8.547 1.00 0.00 C ATOM 41 SG CYS A 3 -7.136 6.658 7.122 1.00 0.00 S ATOM 0 H CYS A 3 -7.505 3.813 8.273 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.288 4.356 7.508 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.792 6.214 9.435 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.342 6.841 8.676 1.00 0.00 H new ATOM 46 N GLY A 4 -4.238 5.221 10.423 1.00 0.00 N ATOM 47 CA GLY A 4 -2.992 5.274 11.253 1.00 0.00 C ATOM 48 C GLY A 4 -2.283 3.937 11.310 1.00 0.00 C ATOM 49 O GLY A 4 -1.079 3.905 11.389 1.00 0.00 O ATOM 0 H GLY A 4 -5.069 5.610 10.869 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.316 6.024 10.842 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.245 5.592 12.264 1.00 0.00 H new ATOM 53 N GLN A 5 -3.043 2.876 11.273 1.00 0.00 N ATOM 54 CA GLN A 5 -2.485 1.485 11.307 1.00 0.00 C ATOM 55 C GLN A 5 -1.726 1.327 9.970 1.00 0.00 C ATOM 56 O GLN A 5 -0.548 1.015 9.911 1.00 0.00 O ATOM 57 CB GLN A 5 -3.708 0.532 11.463 1.00 0.00 C ATOM 58 CG GLN A 5 -3.407 -0.892 10.868 1.00 0.00 C ATOM 59 CD GLN A 5 -3.900 -1.988 11.799 1.00 0.00 C ATOM 60 OE1 GLN A 5 -5.066 -2.098 12.108 1.00 0.00 O ATOM 61 NE2 GLN A 5 -3.063 -2.839 12.286 1.00 0.00 N ATOM 0 H GLN A 5 -4.061 2.914 11.219 1.00 0.00 H new ATOM 0 HA GLN A 5 -1.796 1.263 12.122 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.967 0.440 12.518 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.573 0.963 10.959 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.889 -0.993 9.895 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.335 -1.003 10.706 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.074 -2.775 12.046 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -3.390 -3.576 12.911 1.00 0.00 H new ATOM 70 N VAL A 6 -2.484 1.557 8.929 1.00 0.00 N ATOM 71 CA VAL A 6 -1.947 1.478 7.539 1.00 0.00 C ATOM 72 C VAL A 6 -0.606 2.169 7.491 1.00 0.00 C ATOM 73 O VAL A 6 0.363 1.513 7.186 1.00 0.00 O ATOM 74 CB VAL A 6 -3.007 2.123 6.602 1.00 0.00 C ATOM 75 CG1 VAL A 6 -2.478 3.333 5.838 1.00 0.00 C ATOM 76 CG2 VAL A 6 -3.437 1.086 5.580 1.00 0.00 C ATOM 0 H VAL A 6 -3.473 1.801 8.986 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.777 0.453 7.210 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.830 2.460 7.233 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.267 3.736 5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.156 4.097 6.545 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.633 3.032 5.219 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.181 1.520 4.912 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.571 0.767 5.000 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.867 0.226 6.093 1.00 0.00 H new ATOM 86 N ASP A 7 -0.607 3.434 7.813 1.00 0.00 N ATOM 87 CA ASP A 7 0.653 4.195 7.794 1.00 0.00 C ATOM 88 C ASP A 7 1.623 3.614 8.838 1.00 0.00 C ATOM 89 O ASP A 7 2.763 3.417 8.496 1.00 0.00 O ATOM 90 CB ASP A 7 0.250 5.669 8.021 1.00 0.00 C ATOM 91 CG ASP A 7 1.511 6.542 7.965 1.00 0.00 C ATOM 92 OD1 ASP A 7 2.501 6.139 7.380 1.00 0.00 O ATOM 93 OD2 ASP A 7 1.491 7.618 8.529 1.00 0.00 O ATOM 0 H ASP A 7 -1.433 3.966 8.088 1.00 0.00 H new ATOM 0 HA ASP A 7 1.199 4.128 6.853 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -0.463 5.987 7.260 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -0.244 5.781 8.986 1.00 0.00 H new ATOM 98 N SER A 8 1.217 3.350 10.056 1.00 0.00 N ATOM 99 CA SER A 8 2.159 2.759 11.085 1.00 0.00 C ATOM 100 C SER A 8 2.963 1.630 10.453 1.00 0.00 C ATOM 101 O SER A 8 4.088 1.378 10.834 1.00 0.00 O ATOM 102 CB SER A 8 1.384 2.193 12.265 1.00 0.00 C ATOM 103 OG SER A 8 1.021 3.377 12.956 1.00 0.00 O ATOM 0 H SER A 8 0.269 3.516 10.393 1.00 0.00 H new ATOM 0 HA SER A 8 2.821 3.552 11.434 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.513 1.620 11.947 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.995 1.531 12.878 1.00 0.00 H new ATOM 0 HG SER A 8 0.346 3.864 12.439 1.00 0.00 H new ATOM 109 N LYS A 9 2.338 0.980 9.501 1.00 0.00 N ATOM 110 CA LYS A 9 3.021 -0.134 8.800 1.00 0.00 C ATOM 111 C LYS A 9 3.684 0.432 7.527 1.00 0.00 C ATOM 112 O LYS A 9 4.880 0.368 7.374 1.00 0.00 O ATOM 113 CB LYS A 9 1.971 -1.204 8.428 1.00 0.00 C ATOM 114 CG LYS A 9 2.642 -2.586 8.126 1.00 0.00 C ATOM 115 CD LYS A 9 3.926 -2.483 7.232 1.00 0.00 C ATOM 116 CE LYS A 9 3.631 -2.005 5.808 1.00 0.00 C ATOM 117 NZ LYS A 9 3.064 -3.148 5.043 1.00 0.00 N ATOM 0 H LYS A 9 1.388 1.177 9.185 1.00 0.00 H new ATOM 0 HA LYS A 9 3.781 -0.589 9.435 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.258 -1.315 9.245 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.407 -0.874 7.556 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.904 -3.066 9.069 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.916 -3.231 7.631 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.633 -1.797 7.700 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.410 -3.459 7.188 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.928 -1.172 5.824 1.00 0.00 H new ATOM 0 HE3 LYS A 9 4.542 -1.643 5.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.855 -2.845 4.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.752 -3.928 5.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.188 -3.471 5.500 1.00 0.00 H new ATOM 131 N MET A 10 2.920 0.957 6.616 1.00 0.00 N ATOM 132 CA MET A 10 3.450 1.532 5.342 1.00 0.00 C ATOM 133 C MET A 10 4.662 2.496 5.546 1.00 0.00 C ATOM 134 O MET A 10 5.679 2.358 4.894 1.00 0.00 O ATOM 135 CB MET A 10 2.259 2.256 4.642 1.00 0.00 C ATOM 136 CG MET A 10 1.030 1.338 4.273 1.00 0.00 C ATOM 137 SD MET A 10 1.021 0.470 2.683 1.00 0.00 S ATOM 138 CE MET A 10 0.803 -1.266 3.161 1.00 0.00 C ATOM 0 H MET A 10 1.905 1.015 6.703 1.00 0.00 H new ATOM 0 HA MET A 10 3.846 0.726 4.724 1.00 0.00 H new ATOM 0 HB2 MET A 10 1.910 3.057 5.294 1.00 0.00 H new ATOM 0 HB3 MET A 10 2.627 2.725 3.730 1.00 0.00 H new ATOM 0 HG2 MET A 10 0.934 0.587 5.057 1.00 0.00 H new ATOM 0 HG3 MET A 10 0.134 1.957 4.314 1.00 0.00 H new ATOM 0 HE1 MET A 10 1.212 -1.912 2.384 1.00 0.00 H new ATOM 0 HE2 MET A 10 1.325 -1.453 4.100 1.00 0.00 H new ATOM 0 HE3 MET A 10 -0.259 -1.478 3.287 1.00 0.00 H new ATOM 148 N LYS A 11 4.515 3.443 6.438 1.00 0.00 N ATOM 149 CA LYS A 11 5.565 4.459 6.763 1.00 0.00 C ATOM 150 C LYS A 11 7.031 4.148 6.343 1.00 0.00 C ATOM 151 O LYS A 11 7.523 4.783 5.428 1.00 0.00 O ATOM 152 CB LYS A 11 5.344 4.656 8.251 1.00 0.00 C ATOM 153 CG LYS A 11 6.261 5.664 8.926 1.00 0.00 C ATOM 154 CD LYS A 11 5.803 5.719 10.414 1.00 0.00 C ATOM 155 CE LYS A 11 4.265 5.895 10.597 1.00 0.00 C ATOM 156 NZ LYS A 11 3.803 7.072 9.806 1.00 0.00 N ATOM 0 H LYS A 11 3.661 3.558 6.984 1.00 0.00 H new ATOM 0 HA LYS A 11 5.450 5.364 6.166 1.00 0.00 H new ATOM 0 HB2 LYS A 11 4.312 4.969 8.408 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.464 3.693 8.748 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.304 5.358 8.848 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.180 6.644 8.455 1.00 0.00 H new ATOM 0 HD2 LYS A 11 6.116 4.802 10.914 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.315 6.543 10.911 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.744 4.996 10.270 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.027 6.035 11.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.770 7.160 9.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.254 7.935 10.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.063 6.943 8.807 1.00 0.00 H new ATOM 170 N PRO A 12 7.738 3.208 6.946 1.00 0.00 N ATOM 171 CA PRO A 12 9.155 2.906 6.534 1.00 0.00 C ATOM 172 C PRO A 12 9.254 2.627 5.019 1.00 0.00 C ATOM 173 O PRO A 12 10.126 3.101 4.313 1.00 0.00 O ATOM 174 CB PRO A 12 9.555 1.706 7.422 1.00 0.00 C ATOM 175 CG PRO A 12 8.183 1.063 7.762 1.00 0.00 C ATOM 176 CD PRO A 12 7.300 2.293 8.042 1.00 0.00 C ATOM 0 HA PRO A 12 9.838 3.743 6.681 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.208 1.011 6.894 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.086 2.025 8.319 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.798 0.467 6.935 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.247 0.404 8.628 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.237 2.060 7.985 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.481 2.716 9.030 1.00 0.00 H new ATOM 184 N CYS A 13 8.312 1.859 4.557 1.00 0.00 N ATOM 185 CA CYS A 13 8.243 1.474 3.114 1.00 0.00 C ATOM 186 C CYS A 13 8.029 2.770 2.300 1.00 0.00 C ATOM 187 O CYS A 13 8.564 2.982 1.228 1.00 0.00 O ATOM 188 CB CYS A 13 7.100 0.507 2.967 1.00 0.00 C ATOM 189 SG CYS A 13 7.055 -0.862 4.147 1.00 0.00 S ATOM 0 H CYS A 13 7.565 1.469 5.131 1.00 0.00 H new ATOM 0 HA CYS A 13 9.150 0.991 2.751 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.167 1.064 3.053 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.131 0.090 1.960 1.00 0.00 H new ATOM 194 N LEU A 14 7.211 3.631 2.851 1.00 0.00 N ATOM 195 CA LEU A 14 6.938 4.945 2.172 1.00 0.00 C ATOM 196 C LEU A 14 8.341 5.480 1.886 1.00 0.00 C ATOM 197 O LEU A 14 8.663 5.906 0.797 1.00 0.00 O ATOM 198 CB LEU A 14 6.184 5.908 3.096 1.00 0.00 C ATOM 199 CG LEU A 14 4.852 5.299 3.519 1.00 0.00 C ATOM 200 CD1 LEU A 14 4.001 6.417 4.061 1.00 0.00 C ATOM 201 CD2 LEU A 14 4.131 4.568 2.387 1.00 0.00 C ATOM 0 H LEU A 14 6.722 3.487 3.734 1.00 0.00 H new ATOM 0 HA LEU A 14 6.316 4.838 1.284 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.788 6.126 3.977 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.013 6.855 2.584 1.00 0.00 H new ATOM 0 HG LEU A 14 5.039 4.537 4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.036 6.020 4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.501 6.874 4.915 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.849 7.168 3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.191 4.160 2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.928 5.266 1.575 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.759 3.756 2.020 1.00 0.00 H new ATOM 213 N THR A 15 9.165 5.434 2.909 1.00 0.00 N ATOM 214 CA THR A 15 10.571 5.913 2.734 1.00 0.00 C ATOM 215 C THR A 15 11.114 5.129 1.540 1.00 0.00 C ATOM 216 O THR A 15 11.645 5.725 0.634 1.00 0.00 O ATOM 217 CB THR A 15 11.285 5.668 4.067 1.00 0.00 C ATOM 218 OG1 THR A 15 11.697 6.973 4.423 1.00 0.00 O ATOM 219 CG2 THR A 15 12.535 4.895 3.907 1.00 0.00 C ATOM 0 H THR A 15 8.929 5.092 3.840 1.00 0.00 H new ATOM 0 HA THR A 15 10.698 6.973 2.514 1.00 0.00 H new ATOM 0 HB THR A 15 10.642 5.131 4.764 1.00 0.00 H new ATOM 0 HG1 THR A 15 12.174 6.943 5.279 1.00 0.00 H new ATOM 0 HG21 THR A 15 13.000 4.750 4.882 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.309 3.925 3.465 1.00 0.00 H new ATOM 0 HG23 THR A 15 13.219 5.440 3.256 1.00 0.00 H new ATOM 227 N TYR A 16 10.981 3.836 1.540 1.00 0.00 N ATOM 228 CA TYR A 16 11.472 2.986 0.383 1.00 0.00 C ATOM 229 C TYR A 16 10.992 3.572 -0.978 1.00 0.00 C ATOM 230 O TYR A 16 11.828 3.886 -1.801 1.00 0.00 O ATOM 231 CB TYR A 16 10.948 1.564 0.670 1.00 0.00 C ATOM 232 CG TYR A 16 10.587 0.713 -0.545 1.00 0.00 C ATOM 233 CD1 TYR A 16 11.545 0.216 -1.389 1.00 0.00 C ATOM 234 CD2 TYR A 16 9.261 0.420 -0.785 1.00 0.00 C ATOM 235 CE1 TYR A 16 11.179 -0.568 -2.460 1.00 0.00 C ATOM 236 CE2 TYR A 16 8.892 -0.361 -1.851 1.00 0.00 C ATOM 237 CZ TYR A 16 9.858 -0.856 -2.689 1.00 0.00 C ATOM 238 OH TYR A 16 9.485 -1.650 -3.743 1.00 0.00 O ATOM 0 H TYR A 16 10.548 3.308 2.297 1.00 0.00 H new ATOM 0 HA TYR A 16 12.559 2.970 0.299 1.00 0.00 H new ATOM 0 HB2 TYR A 16 11.704 1.032 1.247 1.00 0.00 H new ATOM 0 HB3 TYR A 16 10.064 1.647 1.303 1.00 0.00 H new ATOM 0 HD1 TYR A 16 12.587 0.439 -1.214 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.502 0.811 -0.124 1.00 0.00 H new ATOM 0 HE1 TYR A 16 11.937 -0.958 -3.123 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.850 -0.584 -2.028 1.00 0.00 H new ATOM 0 HH TYR A 16 8.519 -1.569 -3.887 1.00 0.00 H new ATOM 248 N VAL A 17 9.703 3.705 -1.161 1.00 0.00 N ATOM 249 CA VAL A 17 9.114 4.266 -2.422 1.00 0.00 C ATOM 250 C VAL A 17 9.636 5.685 -2.716 1.00 0.00 C ATOM 251 O VAL A 17 9.705 6.000 -3.885 1.00 0.00 O ATOM 252 CB VAL A 17 7.532 4.263 -2.349 1.00 0.00 C ATOM 253 CG1 VAL A 17 7.003 2.811 -2.243 1.00 0.00 C ATOM 254 CG2 VAL A 17 7.011 4.984 -1.149 1.00 0.00 C ATOM 0 H VAL A 17 9.008 3.439 -0.464 1.00 0.00 H new ATOM 0 HA VAL A 17 9.430 3.622 -3.243 1.00 0.00 H new ATOM 0 HB VAL A 17 7.193 4.761 -3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.914 2.823 -2.194 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.320 2.243 -3.118 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.402 2.343 -1.343 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.922 4.951 -1.149 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.388 4.506 -0.245 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.342 6.022 -1.176 1.00 0.00 H new ATOM 264 N GLN A 18 9.985 6.494 -1.730 1.00 0.00 N ATOM 265 CA GLN A 18 10.496 7.870 -2.072 1.00 0.00 C ATOM 266 C GLN A 18 12.026 7.784 -2.276 1.00 0.00 C ATOM 267 O GLN A 18 12.607 8.534 -3.029 1.00 0.00 O ATOM 268 CB GLN A 18 10.255 8.909 -0.926 1.00 0.00 C ATOM 269 CG GLN A 18 9.578 8.373 0.325 1.00 0.00 C ATOM 270 CD GLN A 18 9.651 9.343 1.511 1.00 0.00 C ATOM 271 OE1 GLN A 18 9.740 10.541 1.389 1.00 0.00 O ATOM 272 NE2 GLN A 18 9.602 8.905 2.723 1.00 0.00 N ATOM 0 H GLN A 18 9.940 6.270 -0.736 1.00 0.00 H new ATOM 0 HA GLN A 18 9.961 8.199 -2.963 1.00 0.00 H new ATOM 0 HB2 GLN A 18 11.217 9.336 -0.641 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.650 9.724 -1.322 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.533 8.159 0.102 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.044 7.428 0.607 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.527 7.903 2.901 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.639 9.560 3.504 1.00 0.00 H new ATOM 281 N GLY A 19 12.636 6.870 -1.578 1.00 0.00 N ATOM 282 CA GLY A 19 14.122 6.625 -1.631 1.00 0.00 C ATOM 283 C GLY A 19 14.674 5.935 -0.360 1.00 0.00 C ATOM 284 O GLY A 19 15.529 6.468 0.319 1.00 0.00 O ATOM 0 H GLY A 19 12.146 6.246 -0.937 1.00 0.00 H new ATOM 0 HA2 GLY A 19 14.351 6.008 -2.500 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.635 7.576 -1.772 1.00 0.00 H new ATOM 288 N GLY A 20 14.176 4.754 -0.072 1.00 0.00 N ATOM 289 CA GLY A 20 14.650 3.988 1.156 1.00 0.00 C ATOM 290 C GLY A 20 15.387 2.683 0.826 1.00 0.00 C ATOM 291 O GLY A 20 15.280 2.198 -0.282 1.00 0.00 O ATOM 0 H GLY A 20 13.463 4.278 -0.625 1.00 0.00 H new ATOM 0 HA2 GLY A 20 15.310 4.629 1.740 1.00 0.00 H new ATOM 0 HA3 GLY A 20 13.789 3.759 1.785 1.00 0.00 H new ATOM 295 N PRO A 21 16.097 2.126 1.789 1.00 0.00 N ATOM 296 CA PRO A 21 16.897 0.871 1.622 1.00 0.00 C ATOM 297 C PRO A 21 15.908 -0.265 1.961 1.00 0.00 C ATOM 298 O PRO A 21 16.101 -1.097 2.828 1.00 0.00 O ATOM 299 CB PRO A 21 18.024 1.071 2.615 1.00 0.00 C ATOM 300 CG PRO A 21 17.237 1.654 3.828 1.00 0.00 C ATOM 301 CD PRO A 21 16.221 2.644 3.185 1.00 0.00 C ATOM 0 HA PRO A 21 17.323 0.639 0.646 1.00 0.00 H new ATOM 0 HB2 PRO A 21 18.531 0.138 2.860 1.00 0.00 H new ATOM 0 HB3 PRO A 21 18.784 1.759 2.245 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.728 0.869 4.387 1.00 0.00 H new ATOM 0 HG3 PRO A 21 17.901 2.163 4.526 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.264 2.637 3.706 1.00 0.00 H new ATOM 0 HD3 PRO A 21 16.587 3.670 3.205 1.00 0.00 H new ATOM 309 N GLY A 22 14.856 -0.205 1.203 1.00 0.00 N ATOM 310 CA GLY A 22 13.729 -1.165 1.314 1.00 0.00 C ATOM 311 C GLY A 22 13.575 -2.003 0.030 1.00 0.00 C ATOM 312 O GLY A 22 14.382 -1.890 -0.869 1.00 0.00 O ATOM 0 H GLY A 22 14.726 0.502 0.479 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.895 -1.827 2.164 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.804 -0.622 1.509 1.00 0.00 H new ATOM 316 N PRO A 23 12.564 -2.826 -0.056 1.00 0.00 N ATOM 317 CA PRO A 23 11.536 -3.112 0.976 1.00 0.00 C ATOM 318 C PRO A 23 11.800 -4.441 1.724 1.00 0.00 C ATOM 319 O PRO A 23 11.238 -5.467 1.393 1.00 0.00 O ATOM 320 CB PRO A 23 10.272 -3.061 0.132 1.00 0.00 C ATOM 321 CG PRO A 23 10.724 -3.667 -1.249 1.00 0.00 C ATOM 322 CD PRO A 23 12.277 -3.592 -1.289 1.00 0.00 C ATOM 0 HA PRO A 23 11.501 -2.419 1.816 1.00 0.00 H new ATOM 0 HB2 PRO A 23 9.467 -3.643 0.581 1.00 0.00 H new ATOM 0 HB3 PRO A 23 9.905 -2.041 0.021 1.00 0.00 H new ATOM 0 HG2 PRO A 23 10.385 -4.698 -1.348 1.00 0.00 H new ATOM 0 HG3 PRO A 23 10.289 -3.107 -2.077 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.736 -4.580 -1.275 1.00 0.00 H new ATOM 0 HD3 PRO A 23 12.641 -3.084 -2.182 1.00 0.00 H new ATOM 330 N SER A 24 12.668 -4.324 2.690 1.00 0.00 N ATOM 331 CA SER A 24 13.183 -5.375 3.646 1.00 0.00 C ATOM 332 C SER A 24 12.332 -6.602 4.048 1.00 0.00 C ATOM 333 O SER A 24 12.835 -7.518 4.671 1.00 0.00 O ATOM 334 CB SER A 24 13.601 -4.604 4.906 1.00 0.00 C ATOM 335 OG SER A 24 14.383 -3.539 4.361 1.00 0.00 O ATOM 0 H SER A 24 13.099 -3.420 2.881 1.00 0.00 H new ATOM 0 HA SER A 24 13.963 -5.885 3.081 1.00 0.00 H new ATOM 0 HB2 SER A 24 12.739 -4.234 5.462 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.179 -5.225 5.591 1.00 0.00 H new ATOM 0 HG SER A 24 14.709 -2.968 5.087 1.00 0.00 H new ATOM 341 N GLY A 25 11.075 -6.597 3.692 1.00 0.00 N ATOM 342 CA GLY A 25 10.119 -7.724 4.021 1.00 0.00 C ATOM 343 C GLY A 25 8.867 -7.175 4.724 1.00 0.00 C ATOM 344 O GLY A 25 7.757 -7.331 4.228 1.00 0.00 O ATOM 0 H GLY A 25 10.646 -5.835 3.167 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.832 -8.245 3.107 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.614 -8.454 4.662 1.00 0.00 H new ATOM 348 N GLU A 26 9.120 -6.569 5.861 1.00 0.00 N ATOM 349 CA GLU A 26 8.044 -5.942 6.719 1.00 0.00 C ATOM 350 C GLU A 26 6.873 -5.466 5.862 1.00 0.00 C ATOM 351 O GLU A 26 5.721 -5.789 6.082 1.00 0.00 O ATOM 352 CB GLU A 26 8.652 -4.728 7.510 1.00 0.00 C ATOM 353 CG GLU A 26 9.643 -3.817 6.626 1.00 0.00 C ATOM 354 CD GLU A 26 10.293 -2.663 7.420 1.00 0.00 C ATOM 355 OE1 GLU A 26 11.192 -2.967 8.187 1.00 0.00 O ATOM 356 OE2 GLU A 26 9.826 -1.556 7.186 1.00 0.00 O ATOM 0 H GLU A 26 10.059 -6.477 6.248 1.00 0.00 H new ATOM 0 HA GLU A 26 7.673 -6.691 7.418 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.840 -4.107 7.887 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.194 -5.105 8.377 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.428 -4.448 6.209 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.088 -3.401 5.785 1.00 0.00 H new ATOM 363 N CYS A 27 7.259 -4.682 4.894 1.00 0.00 N ATOM 364 CA CYS A 27 6.332 -4.090 3.912 1.00 0.00 C ATOM 365 C CYS A 27 5.331 -5.120 3.418 1.00 0.00 C ATOM 366 O CYS A 27 4.169 -5.011 3.751 1.00 0.00 O ATOM 367 CB CYS A 27 7.174 -3.566 2.787 1.00 0.00 C ATOM 368 SG CYS A 27 8.269 -2.208 3.260 1.00 0.00 S ATOM 0 H CYS A 27 8.233 -4.420 4.745 1.00 0.00 H new ATOM 0 HA CYS A 27 5.748 -3.287 4.362 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.776 -4.382 2.387 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.519 -3.228 1.983 1.00 0.00 H new ATOM 373 N CYS A 28 5.876 -6.044 2.660 1.00 0.00 N ATOM 374 CA CYS A 28 5.152 -7.191 2.024 1.00 0.00 C ATOM 375 C CYS A 28 4.230 -7.880 2.996 1.00 0.00 C ATOM 376 O CYS A 28 3.040 -8.031 2.802 1.00 0.00 O ATOM 377 CB CYS A 28 6.170 -8.203 1.508 1.00 0.00 C ATOM 378 SG CYS A 28 7.130 -7.688 0.080 1.00 0.00 S ATOM 0 H CYS A 28 6.873 -6.044 2.443 1.00 0.00 H new ATOM 0 HA CYS A 28 4.550 -6.794 1.207 1.00 0.00 H new ATOM 0 HB2 CYS A 28 6.859 -8.442 2.318 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.643 -9.123 1.255 1.00 0.00 H new ATOM 383 N ASN A 29 4.885 -8.265 4.053 1.00 0.00 N ATOM 384 CA ASN A 29 4.202 -8.988 5.170 1.00 0.00 C ATOM 385 C ASN A 29 2.985 -8.184 5.570 1.00 0.00 C ATOM 386 O ASN A 29 1.871 -8.653 5.427 1.00 0.00 O ATOM 387 CB ASN A 29 5.220 -9.150 6.330 1.00 0.00 C ATOM 388 CG ASN A 29 5.392 -10.638 6.624 1.00 0.00 C ATOM 389 OD1 ASN A 29 5.666 -11.455 5.772 1.00 0.00 O ATOM 390 ND2 ASN A 29 5.245 -11.051 7.839 1.00 0.00 N ATOM 0 H ASN A 29 5.883 -8.108 4.196 1.00 0.00 H new ATOM 0 HA ASN A 29 3.865 -9.983 4.880 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.177 -8.705 6.058 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.867 -8.627 7.219 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.360 -12.040 8.059 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.014 -10.388 8.579 1.00 0.00 H new ATOM 397 N GLY A 30 3.219 -6.987 6.045 1.00 0.00 N ATOM 398 CA GLY A 30 2.050 -6.154 6.441 1.00 0.00 C ATOM 399 C GLY A 30 1.082 -6.120 5.250 1.00 0.00 C ATOM 400 O GLY A 30 -0.090 -6.311 5.445 1.00 0.00 O ATOM 0 H GLY A 30 4.138 -6.563 6.172 1.00 0.00 H new ATOM 0 HA2 GLY A 30 1.561 -6.573 7.320 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.369 -5.146 6.704 1.00 0.00 H new ATOM 404 N VAL A 31 1.551 -5.882 4.045 1.00 0.00 N ATOM 405 CA VAL A 31 0.595 -5.851 2.868 1.00 0.00 C ATOM 406 C VAL A 31 -0.363 -7.042 2.827 1.00 0.00 C ATOM 407 O VAL A 31 -1.570 -6.876 2.857 1.00 0.00 O ATOM 408 CB VAL A 31 1.267 -5.906 1.451 1.00 0.00 C ATOM 409 CG1 VAL A 31 0.274 -5.245 0.529 1.00 0.00 C ATOM 410 CG2 VAL A 31 2.568 -5.198 1.322 1.00 0.00 C ATOM 0 H VAL A 31 2.531 -5.710 3.820 1.00 0.00 H new ATOM 0 HA VAL A 31 0.100 -4.896 3.044 1.00 0.00 H new ATOM 0 HB VAL A 31 1.499 -6.947 1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.668 -5.241 -0.487 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.666 -5.796 0.552 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.102 -4.219 0.855 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.939 -5.302 0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.432 -4.141 1.552 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.288 -5.631 2.016 1.00 0.00 H new ATOM 420 N ARG A 32 0.207 -8.218 2.749 1.00 0.00 N ATOM 421 CA ARG A 32 -0.639 -9.451 2.697 1.00 0.00 C ATOM 422 C ARG A 32 -1.566 -9.408 3.902 1.00 0.00 C ATOM 423 O ARG A 32 -2.756 -9.610 3.784 1.00 0.00 O ATOM 424 CB ARG A 32 0.261 -10.682 2.751 1.00 0.00 C ATOM 425 CG ARG A 32 1.296 -10.552 1.612 1.00 0.00 C ATOM 426 CD ARG A 32 1.492 -11.834 0.814 1.00 0.00 C ATOM 427 NE ARG A 32 2.019 -12.936 1.690 1.00 0.00 N ATOM 428 CZ ARG A 32 1.723 -14.171 1.481 1.00 0.00 C ATOM 429 NH1 ARG A 32 1.439 -14.532 0.280 1.00 0.00 N ATOM 430 NH2 ARG A 32 1.737 -14.970 2.482 1.00 0.00 N ATOM 0 H ARG A 32 1.214 -8.378 2.719 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.221 -9.500 1.777 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.761 -10.749 3.717 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.327 -11.592 2.632 1.00 0.00 H new ATOM 0 HG2 ARG A 32 0.981 -9.758 0.935 1.00 0.00 H new ATOM 0 HG3 ARG A 32 2.253 -10.248 2.036 1.00 0.00 H new ATOM 0 HD2 ARG A 32 0.545 -12.139 0.370 1.00 0.00 H new ATOM 0 HD3 ARG A 32 2.186 -11.653 -0.007 1.00 0.00 H new ATOM 0 HE ARG A 32 2.629 -12.698 2.472 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.452 -13.847 -0.475 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.200 -15.504 0.083 1.00 0.00 H new ATOM 0 HH21 ARG A 32 1.978 -14.621 3.410 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.507 -15.955 2.351 1.00 0.00 H new ATOM 444 N ASP A 33 -0.993 -9.146 5.042 1.00 0.00 N ATOM 445 CA ASP A 33 -1.821 -9.070 6.271 1.00 0.00 C ATOM 446 C ASP A 33 -3.009 -8.121 6.017 1.00 0.00 C ATOM 447 O ASP A 33 -4.122 -8.551 6.179 1.00 0.00 O ATOM 448 CB ASP A 33 -0.927 -8.568 7.399 1.00 0.00 C ATOM 449 CG ASP A 33 -0.564 -9.614 8.443 1.00 0.00 C ATOM 450 OD1 ASP A 33 -0.812 -10.794 8.247 1.00 0.00 O ATOM 451 OD2 ASP A 33 -0.052 -9.098 9.418 1.00 0.00 O ATOM 0 H ASP A 33 0.005 -8.983 5.174 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.228 -10.043 6.546 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -0.008 -8.174 6.966 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.427 -7.737 7.897 1.00 0.00 H new ATOM 456 N LEU A 34 -2.829 -6.884 5.624 1.00 0.00 N ATOM 457 CA LEU A 34 -4.065 -6.036 5.401 1.00 0.00 C ATOM 458 C LEU A 34 -4.930 -6.733 4.312 1.00 0.00 C ATOM 459 O LEU A 34 -6.136 -6.583 4.278 1.00 0.00 O ATOM 460 CB LEU A 34 -3.748 -4.627 4.864 1.00 0.00 C ATOM 461 CG LEU A 34 -2.948 -3.647 5.832 1.00 0.00 C ATOM 462 CD1 LEU A 34 -1.533 -4.078 6.124 1.00 0.00 C ATOM 463 CD2 LEU A 34 -2.823 -2.241 5.237 1.00 0.00 C ATOM 0 H LEU A 34 -1.931 -6.432 5.452 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.563 -5.936 6.366 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.175 -4.736 3.944 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.689 -4.146 4.598 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.539 -3.666 6.748 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.062 -3.355 6.790 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.542 -5.058 6.601 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.970 -4.133 5.192 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.271 -1.602 5.926 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.291 -2.294 4.287 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.817 -1.825 5.074 1.00 0.00 H new ATOM 475 N HIS A 35 -4.304 -7.482 3.440 1.00 0.00 N ATOM 476 CA HIS A 35 -5.095 -8.167 2.373 1.00 0.00 C ATOM 477 C HIS A 35 -5.895 -9.370 2.940 1.00 0.00 C ATOM 478 O HIS A 35 -6.946 -9.675 2.421 1.00 0.00 O ATOM 479 CB HIS A 35 -4.065 -8.555 1.299 1.00 0.00 C ATOM 480 CG HIS A 35 -4.677 -8.621 -0.096 1.00 0.00 C ATOM 481 ND1 HIS A 35 -5.510 -9.518 -0.498 1.00 0.00 N ATOM 482 CD2 HIS A 35 -4.482 -7.804 -1.197 1.00 0.00 C ATOM 483 CE1 HIS A 35 -5.818 -9.302 -1.738 1.00 0.00 C ATOM 484 NE2 HIS A 35 -5.201 -8.249 -2.207 1.00 0.00 N ATOM 0 H HIS A 35 -3.298 -7.647 3.419 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.865 -7.526 1.944 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.251 -7.830 1.302 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.631 -9.523 1.549 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -5.872 -10.282 0.073 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.840 -6.936 -1.223 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.498 -9.914 -2.311 1.00 0.00 H new ATOM 492 N ASN A 36 -5.402 -10.025 3.959 1.00 0.00 N ATOM 493 CA ASN A 36 -6.125 -11.204 4.572 1.00 0.00 C ATOM 494 C ASN A 36 -6.940 -10.825 5.836 1.00 0.00 C ATOM 495 O ASN A 36 -7.943 -11.433 6.152 1.00 0.00 O ATOM 496 CB ASN A 36 -5.052 -12.248 4.870 1.00 0.00 C ATOM 497 CG ASN A 36 -4.525 -12.744 3.534 1.00 0.00 C ATOM 498 OD1 ASN A 36 -4.932 -13.753 3.014 1.00 0.00 O ATOM 499 ND2 ASN A 36 -3.613 -12.075 2.909 1.00 0.00 N ATOM 0 H ASN A 36 -4.515 -9.796 4.407 1.00 0.00 H new ATOM 0 HA ASN A 36 -6.873 -11.592 3.881 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.248 -11.814 5.464 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.468 -13.072 5.450 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.264 -12.406 2.010 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.242 -11.216 3.315 1.00 0.00 H new ATOM 506 N GLN A 37 -6.449 -9.819 6.509 1.00 0.00 N ATOM 507 CA GLN A 37 -7.041 -9.250 7.753 1.00 0.00 C ATOM 508 C GLN A 37 -8.191 -8.341 7.316 1.00 0.00 C ATOM 509 O GLN A 37 -9.100 -8.184 8.108 1.00 0.00 O ATOM 510 CB GLN A 37 -5.988 -8.410 8.562 1.00 0.00 C ATOM 511 CG GLN A 37 -4.905 -9.311 9.278 1.00 0.00 C ATOM 512 CD GLN A 37 -4.077 -8.476 10.282 1.00 0.00 C ATOM 513 OE1 GLN A 37 -4.619 -7.813 11.139 1.00 0.00 O ATOM 514 NE2 GLN A 37 -2.780 -8.455 10.258 1.00 0.00 N ATOM 0 H GLN A 37 -5.598 -9.337 6.221 1.00 0.00 H new ATOM 0 HA GLN A 37 -7.381 -10.055 8.405 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.488 -7.716 7.887 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.506 -7.810 9.310 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.396 -10.133 9.799 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.244 -9.754 8.534 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.274 -8.996 9.557 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.266 -7.898 10.941 1.00 0.00 H new ATOM 523 N ALA A 38 -8.146 -7.759 6.126 1.00 0.00 N ATOM 524 CA ALA A 38 -9.330 -6.900 5.757 1.00 0.00 C ATOM 525 C ALA A 38 -10.490 -7.858 5.354 1.00 0.00 C ATOM 526 O ALA A 38 -10.267 -9.032 5.120 1.00 0.00 O ATOM 527 CB ALA A 38 -8.955 -6.032 4.573 1.00 0.00 C ATOM 0 H ALA A 38 -7.396 -7.833 5.439 1.00 0.00 H new ATOM 0 HA ALA A 38 -9.630 -6.261 6.588 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.804 -5.406 4.297 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.109 -5.399 4.840 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.682 -6.666 3.729 1.00 0.00 H new ATOM 533 N GLN A 39 -11.694 -7.341 5.277 1.00 0.00 N ATOM 534 CA GLN A 39 -12.851 -8.229 4.910 1.00 0.00 C ATOM 535 C GLN A 39 -13.429 -7.985 3.529 1.00 0.00 C ATOM 536 O GLN A 39 -13.685 -8.902 2.773 1.00 0.00 O ATOM 537 CB GLN A 39 -13.987 -8.044 5.951 1.00 0.00 C ATOM 538 CG GLN A 39 -13.475 -8.228 7.403 1.00 0.00 C ATOM 539 CD GLN A 39 -12.606 -7.044 7.810 1.00 0.00 C ATOM 540 OE1 GLN A 39 -12.983 -5.899 7.725 1.00 0.00 O ATOM 541 NE2 GLN A 39 -11.421 -7.235 8.263 1.00 0.00 N ATOM 0 H GLN A 39 -11.926 -6.363 5.448 1.00 0.00 H new ATOM 0 HA GLN A 39 -12.451 -9.243 4.905 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -14.421 -7.050 5.842 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -14.782 -8.763 5.752 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -14.320 -8.319 8.085 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.902 -9.152 7.480 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -11.056 -8.183 8.354 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -10.843 -6.439 8.532 1.00 0.00 H new ATOM 550 N SER A 40 -13.648 -6.732 3.231 1.00 0.00 N ATOM 551 CA SER A 40 -14.221 -6.405 1.887 1.00 0.00 C ATOM 552 C SER A 40 -13.771 -5.056 1.307 1.00 0.00 C ATOM 553 O SER A 40 -12.924 -4.335 1.805 1.00 0.00 O ATOM 554 CB SER A 40 -15.759 -6.453 2.020 1.00 0.00 C ATOM 555 OG SER A 40 -16.200 -6.525 0.663 1.00 0.00 O ATOM 0 H SER A 40 -13.461 -5.936 3.841 1.00 0.00 H new ATOM 0 HA SER A 40 -13.846 -7.142 1.177 1.00 0.00 H new ATOM 0 HB2 SER A 40 -16.087 -7.318 2.597 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.148 -5.568 2.524 1.00 0.00 H new ATOM 0 HG SER A 40 -16.832 -5.798 0.485 1.00 0.00 H new ATOM 561 N SER A 41 -14.403 -4.724 0.226 1.00 0.00 N ATOM 562 CA SER A 41 -14.101 -3.447 -0.487 1.00 0.00 C ATOM 563 C SER A 41 -14.996 -2.372 0.139 1.00 0.00 C ATOM 564 O SER A 41 -15.762 -1.721 -0.537 1.00 0.00 O ATOM 565 CB SER A 41 -14.404 -3.633 -1.993 1.00 0.00 C ATOM 566 OG SER A 41 -13.434 -4.596 -2.421 1.00 0.00 O ATOM 0 H SER A 41 -15.132 -5.290 -0.208 1.00 0.00 H new ATOM 0 HA SER A 41 -13.055 -3.155 -0.394 1.00 0.00 H new ATOM 0 HB2 SER A 41 -15.421 -3.990 -2.155 1.00 0.00 H new ATOM 0 HB3 SER A 41 -14.305 -2.695 -2.540 1.00 0.00 H new ATOM 0 HG SER A 41 -12.805 -4.173 -3.042 1.00 0.00 H new ATOM 572 N GLY A 42 -14.811 -2.302 1.439 1.00 0.00 N ATOM 573 CA GLY A 42 -15.480 -1.383 2.424 1.00 0.00 C ATOM 574 C GLY A 42 -14.343 -0.781 3.266 1.00 0.00 C ATOM 575 O GLY A 42 -14.135 0.415 3.375 1.00 0.00 O ATOM 0 H GLY A 42 -14.145 -2.920 1.902 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -16.044 -0.603 1.912 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -16.186 -1.927 3.051 1.00 0.00 H new ATOM 579 N ASP A 43 -13.583 -1.658 3.862 1.00 0.00 N ATOM 580 CA ASP A 43 -12.443 -1.219 4.707 1.00 0.00 C ATOM 581 C ASP A 43 -11.173 -1.037 3.830 1.00 0.00 C ATOM 582 O ASP A 43 -10.378 -0.131 3.969 1.00 0.00 O ATOM 583 CB ASP A 43 -12.315 -2.324 5.761 1.00 0.00 C ATOM 584 CG ASP A 43 -11.916 -3.634 5.088 1.00 0.00 C ATOM 585 OD1 ASP A 43 -10.734 -3.663 4.807 1.00 0.00 O ATOM 586 OD2 ASP A 43 -12.752 -4.505 4.883 1.00 0.00 O ATOM 0 H ASP A 43 -13.706 -2.668 3.797 1.00 0.00 H new ATOM 0 HA ASP A 43 -12.586 -0.251 5.186 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.569 -2.045 6.506 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -13.261 -2.448 6.288 1.00 0.00 H new ATOM 591 N ARG A 44 -11.021 -1.948 2.910 1.00 0.00 N ATOM 592 CA ARG A 44 -9.849 -1.905 2.011 1.00 0.00 C ATOM 593 C ARG A 44 -9.826 -0.589 1.204 1.00 0.00 C ATOM 594 O ARG A 44 -8.864 0.124 1.380 1.00 0.00 O ATOM 595 CB ARG A 44 -9.933 -3.215 1.123 1.00 0.00 C ATOM 596 CG ARG A 44 -8.703 -4.108 1.405 1.00 0.00 C ATOM 597 CD ARG A 44 -8.910 -5.468 0.721 1.00 0.00 C ATOM 598 NE ARG A 44 -8.938 -5.233 -0.764 1.00 0.00 N ATOM 599 CZ ARG A 44 -9.972 -5.306 -1.519 1.00 0.00 C ATOM 600 NH1 ARG A 44 -11.114 -4.966 -1.075 1.00 0.00 N ATOM 601 NH2 ARG A 44 -9.741 -5.724 -2.699 1.00 0.00 N ATOM 0 H ARG A 44 -11.665 -2.722 2.746 1.00 0.00 H new ATOM 0 HA ARG A 44 -8.902 -1.901 2.551 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -10.850 -3.760 1.346 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -9.969 -2.949 0.066 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.797 -3.631 1.031 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.572 -4.242 2.479 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.106 -6.155 0.984 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -9.842 -5.926 1.054 1.00 0.00 H new ATOM 0 HE ARG A 44 -8.053 -4.994 -1.212 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -11.210 -4.634 -0.115 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -11.934 -5.025 -1.678 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.791 -5.970 -2.976 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -10.506 -5.813 -3.367 1.00 0.00 H new ATOM 615 N GLN A 45 -10.786 -0.203 0.383 1.00 0.00 N ATOM 616 CA GLN A 45 -10.592 1.107 -0.340 1.00 0.00 C ATOM 617 C GLN A 45 -10.348 2.273 0.707 1.00 0.00 C ATOM 618 O GLN A 45 -9.985 3.377 0.365 1.00 0.00 O ATOM 619 CB GLN A 45 -11.828 1.558 -1.161 1.00 0.00 C ATOM 620 CG GLN A 45 -13.054 0.683 -1.053 1.00 0.00 C ATOM 621 CD GLN A 45 -13.671 1.032 0.311 1.00 0.00 C ATOM 622 OE1 GLN A 45 -14.755 0.625 0.609 1.00 0.00 O ATOM 623 NE2 GLN A 45 -13.095 1.765 1.206 1.00 0.00 N ATOM 0 H GLN A 45 -11.651 -0.707 0.188 1.00 0.00 H new ATOM 0 HA GLN A 45 -9.748 0.934 -1.007 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -12.098 2.567 -0.848 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.540 1.616 -2.211 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -13.753 0.881 -1.865 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -12.791 -0.373 -1.109 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -12.168 2.151 1.029 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -13.568 1.957 2.089 1.00 0.00 H new ATOM 632 N THR A 46 -10.577 1.995 1.969 1.00 0.00 N ATOM 633 CA THR A 46 -10.394 3.010 3.069 1.00 0.00 C ATOM 634 C THR A 46 -8.914 2.952 3.410 1.00 0.00 C ATOM 635 O THR A 46 -8.206 3.941 3.353 1.00 0.00 O ATOM 636 CB THR A 46 -11.299 2.618 4.276 1.00 0.00 C ATOM 637 OG1 THR A 46 -12.623 2.834 3.801 1.00 0.00 O ATOM 638 CG2 THR A 46 -11.184 3.604 5.382 1.00 0.00 C ATOM 0 H THR A 46 -10.892 1.082 2.296 1.00 0.00 H new ATOM 0 HA THR A 46 -10.680 4.023 2.786 1.00 0.00 H new ATOM 0 HB THR A 46 -11.043 1.615 4.618 1.00 0.00 H new ATOM 0 HG1 THR A 46 -13.265 2.607 4.506 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.828 3.301 6.208 1.00 0.00 H new ATOM 0 HG22 THR A 46 -10.150 3.647 5.725 1.00 0.00 H new ATOM 0 HG23 THR A 46 -11.490 4.588 5.026 1.00 0.00 H new ATOM 646 N VAL A 47 -8.446 1.787 3.775 1.00 0.00 N ATOM 647 CA VAL A 47 -6.998 1.603 4.105 1.00 0.00 C ATOM 648 C VAL A 47 -6.339 2.287 2.870 1.00 0.00 C ATOM 649 O VAL A 47 -5.357 2.987 3.005 1.00 0.00 O ATOM 650 CB VAL A 47 -6.801 0.064 4.223 1.00 0.00 C ATOM 651 CG1 VAL A 47 -5.629 -0.446 3.389 1.00 0.00 C ATOM 652 CG2 VAL A 47 -6.639 -0.399 5.688 1.00 0.00 C ATOM 0 H VAL A 47 -9.012 0.943 3.860 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.588 2.022 5.024 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.717 -0.372 3.823 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -5.539 -1.526 3.510 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.801 -0.211 2.338 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.709 0.034 3.722 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -6.505 -1.480 5.715 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.768 0.086 6.129 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -7.530 -0.130 6.255 1.00 0.00 H new ATOM 662 N CYS A 48 -6.953 2.040 1.724 1.00 0.00 N ATOM 663 CA CYS A 48 -6.492 2.624 0.426 1.00 0.00 C ATOM 664 C CYS A 48 -6.481 4.147 0.624 1.00 0.00 C ATOM 665 O CYS A 48 -5.420 4.715 0.509 1.00 0.00 O ATOM 666 CB CYS A 48 -7.433 2.403 -0.736 1.00 0.00 C ATOM 667 SG CYS A 48 -6.711 2.693 -2.369 1.00 0.00 S ATOM 0 H CYS A 48 -7.775 1.441 1.642 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.537 2.154 0.191 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -7.802 1.378 -0.695 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -8.296 3.058 -0.615 1.00 0.00 H new ATOM 672 N ASN A 49 -7.616 4.775 0.907 1.00 0.00 N ATOM 673 CA ASN A 49 -7.632 6.246 1.106 1.00 0.00 C ATOM 674 C ASN A 49 -6.383 6.770 1.811 1.00 0.00 C ATOM 675 O ASN A 49 -5.768 7.703 1.331 1.00 0.00 O ATOM 676 CB ASN A 49 -8.911 6.624 1.890 1.00 0.00 C ATOM 677 CG ASN A 49 -9.034 6.383 3.392 1.00 0.00 C ATOM 678 OD1 ASN A 49 -8.156 6.589 4.193 1.00 0.00 O ATOM 679 ND2 ASN A 49 -10.149 5.952 3.866 1.00 0.00 N ATOM 0 H ASN A 49 -8.522 4.317 1.005 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.634 6.720 0.125 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -9.078 7.689 1.727 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -9.739 6.095 1.417 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.253 5.803 4.870 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.930 5.759 3.238 1.00 0.00 H new ATOM 686 N CYS A 50 -6.048 6.147 2.901 1.00 0.00 N ATOM 687 CA CYS A 50 -4.834 6.623 3.613 1.00 0.00 C ATOM 688 C CYS A 50 -3.559 6.123 2.949 1.00 0.00 C ATOM 689 O CYS A 50 -2.776 6.971 2.601 1.00 0.00 O ATOM 690 CB CYS A 50 -4.942 6.172 5.049 1.00 0.00 C ATOM 691 SG CYS A 50 -5.607 7.485 6.103 1.00 0.00 S ATOM 0 H CYS A 50 -6.540 5.357 3.319 1.00 0.00 H new ATOM 0 HA CYS A 50 -4.775 7.711 3.572 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -5.585 5.294 5.109 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -3.959 5.873 5.413 1.00 0.00 H new ATOM 696 N LEU A 51 -3.329 4.842 2.771 1.00 0.00 N ATOM 697 CA LEU A 51 -2.061 4.362 2.103 1.00 0.00 C ATOM 698 C LEU A 51 -1.747 5.284 0.909 1.00 0.00 C ATOM 699 O LEU A 51 -0.626 5.688 0.663 1.00 0.00 O ATOM 700 CB LEU A 51 -2.296 2.878 1.668 1.00 0.00 C ATOM 701 CG LEU A 51 -1.673 2.487 0.249 1.00 0.00 C ATOM 702 CD1 LEU A 51 -1.483 0.989 0.160 1.00 0.00 C ATOM 703 CD2 LEU A 51 -2.601 2.752 -0.972 1.00 0.00 C ATOM 0 H LEU A 51 -3.966 4.099 3.060 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.201 4.398 2.772 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.873 2.221 2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.369 2.687 1.643 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.768 3.092 0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.058 0.733 -0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.808 0.660 0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.446 0.492 0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.091 2.455 -1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.518 2.174 -0.864 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.845 3.813 -1.020 1.00 0.00 H new ATOM 715 N LYS A 52 -2.812 5.568 0.205 1.00 0.00 N ATOM 716 CA LYS A 52 -2.765 6.450 -0.991 1.00 0.00 C ATOM 717 C LYS A 52 -2.433 7.835 -0.404 1.00 0.00 C ATOM 718 O LYS A 52 -1.455 8.418 -0.813 1.00 0.00 O ATOM 719 CB LYS A 52 -4.170 6.325 -1.677 1.00 0.00 C ATOM 720 CG LYS A 52 -4.275 7.166 -2.970 1.00 0.00 C ATOM 721 CD LYS A 52 -5.532 6.746 -3.818 1.00 0.00 C ATOM 722 CE LYS A 52 -6.871 7.171 -3.191 1.00 0.00 C ATOM 723 NZ LYS A 52 -7.975 6.700 -4.082 1.00 0.00 N ATOM 0 H LYS A 52 -3.742 5.210 0.421 1.00 0.00 H new ATOM 0 HA LYS A 52 -2.031 6.217 -1.762 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.364 5.278 -1.912 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.942 6.643 -0.977 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -4.341 8.224 -2.715 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.371 7.038 -3.566 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.451 7.185 -4.813 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.528 5.664 -3.946 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.977 6.742 -2.195 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.910 8.254 -3.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.608 7.496 -4.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.573 6.325 -4.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.513 5.951 -3.601 1.00 0.00 H new ATOM 737 N GLY A 53 -3.210 8.353 0.524 1.00 0.00 N ATOM 738 CA GLY A 53 -2.919 9.706 1.142 1.00 0.00 C ATOM 739 C GLY A 53 -1.416 9.845 1.431 1.00 0.00 C ATOM 740 O GLY A 53 -0.767 10.775 0.993 1.00 0.00 O ATOM 0 H GLY A 53 -4.045 7.895 0.888 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.242 10.499 0.468 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.487 9.822 2.065 1.00 0.00 H new ATOM 744 N ILE A 54 -0.892 8.897 2.168 1.00 0.00 N ATOM 745 CA ILE A 54 0.567 8.947 2.495 1.00 0.00 C ATOM 746 C ILE A 54 1.292 8.949 1.142 1.00 0.00 C ATOM 747 O ILE A 54 2.043 9.872 0.932 1.00 0.00 O ATOM 748 CB ILE A 54 1.030 7.694 3.416 1.00 0.00 C ATOM 749 CG1 ILE A 54 -0.164 6.801 3.834 1.00 0.00 C ATOM 750 CG2 ILE A 54 1.583 8.364 4.699 1.00 0.00 C ATOM 751 CD1 ILE A 54 0.210 5.521 4.644 1.00 0.00 C ATOM 0 H ILE A 54 -1.402 8.102 2.553 1.00 0.00 H new ATOM 0 HA ILE A 54 0.807 9.834 3.082 1.00 0.00 H new ATOM 0 HB ILE A 54 1.736 7.060 2.880 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.852 7.400 4.430 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -0.701 6.498 2.935 1.00 0.00 H new ATOM 0 HG21 ILE A 54 1.925 7.596 5.392 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.417 9.015 4.439 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.796 8.953 5.170 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.696 4.966 4.887 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.871 4.893 4.047 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.717 5.808 5.565 1.00 0.00 H new ATOM 763 N ALA A 55 1.073 7.977 0.274 1.00 0.00 N ATOM 764 CA ALA A 55 1.725 7.901 -1.075 1.00 0.00 C ATOM 765 C ALA A 55 1.832 9.288 -1.732 1.00 0.00 C ATOM 766 O ALA A 55 2.838 9.680 -2.293 1.00 0.00 O ATOM 767 CB ALA A 55 0.886 6.903 -1.890 1.00 0.00 C ATOM 0 H ALA A 55 0.438 7.201 0.461 1.00 0.00 H new ATOM 0 HA ALA A 55 2.757 7.557 -1.009 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.310 6.802 -2.889 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.891 5.933 -1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.139 7.266 -1.966 1.00 0.00 H new ATOM 773 N ARG A 56 0.746 9.987 -1.626 1.00 0.00 N ATOM 774 CA ARG A 56 0.677 11.364 -2.206 1.00 0.00 C ATOM 775 C ARG A 56 1.615 12.302 -1.426 1.00 0.00 C ATOM 776 O ARG A 56 2.386 13.055 -1.993 1.00 0.00 O ATOM 777 CB ARG A 56 -0.757 11.942 -2.094 1.00 0.00 C ATOM 778 CG ARG A 56 -1.821 10.844 -2.111 1.00 0.00 C ATOM 779 CD ARG A 56 -3.165 11.495 -2.468 1.00 0.00 C ATOM 780 NE ARG A 56 -4.295 10.532 -2.205 1.00 0.00 N ATOM 781 CZ ARG A 56 -5.446 10.775 -2.716 1.00 0.00 C ATOM 782 NH1 ARG A 56 -5.702 10.355 -3.896 1.00 0.00 N ATOM 783 NH2 ARG A 56 -6.267 11.443 -2.002 1.00 0.00 N ATOM 0 H ARG A 56 -0.105 9.670 -1.162 1.00 0.00 H new ATOM 0 HA ARG A 56 0.969 11.297 -3.254 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.845 12.517 -1.172 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.935 12.632 -2.919 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.564 10.075 -2.839 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.880 10.355 -1.139 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.306 12.402 -1.880 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.167 11.792 -3.517 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.147 9.702 -1.631 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.996 9.835 -4.417 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.613 10.540 -4.317 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.994 11.757 -1.071 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.195 11.663 -2.363 1.00 0.00 H new ATOM 797 N GLY A 57 1.515 12.206 -0.125 1.00 0.00 N ATOM 798 CA GLY A 57 2.343 13.061 0.760 1.00 0.00 C ATOM 799 C GLY A 57 3.657 12.517 1.278 1.00 0.00 C ATOM 800 O GLY A 57 3.935 12.671 2.449 1.00 0.00 O ATOM 0 H GLY A 57 0.888 11.565 0.361 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.557 13.984 0.221 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.734 13.330 1.623 1.00 0.00 H new ATOM 804 N ILE A 58 4.434 11.895 0.436 1.00 0.00 N ATOM 805 CA ILE A 58 5.759 11.377 0.928 1.00 0.00 C ATOM 806 C ILE A 58 6.729 12.264 0.089 1.00 0.00 C ATOM 807 O ILE A 58 6.289 12.944 -0.816 1.00 0.00 O ATOM 808 CB ILE A 58 6.000 9.844 0.611 1.00 0.00 C ATOM 809 CG1 ILE A 58 4.640 9.135 0.651 1.00 0.00 C ATOM 810 CG2 ILE A 58 6.698 9.295 1.897 1.00 0.00 C ATOM 811 CD1 ILE A 58 4.656 7.636 0.314 1.00 0.00 C ATOM 0 H ILE A 58 4.225 11.722 -0.547 1.00 0.00 H new ATOM 0 HA ILE A 58 5.867 11.433 2.011 1.00 0.00 H new ATOM 0 HB ILE A 58 6.531 9.705 -0.331 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.216 9.259 1.647 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.969 9.637 -0.046 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.907 8.232 1.772 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.633 9.831 2.061 1.00 0.00 H new ATOM 0 HG23 ILE A 58 6.042 9.438 2.756 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.643 7.239 0.373 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.043 7.494 -0.695 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.294 7.110 1.025 1.00 0.00 H new ATOM 823 N HIS A 59 8.011 12.281 0.324 1.00 0.00 N ATOM 824 CA HIS A 59 8.930 13.169 -0.496 1.00 0.00 C ATOM 825 C HIS A 59 8.847 13.084 -2.039 1.00 0.00 C ATOM 826 O HIS A 59 8.744 14.094 -2.709 1.00 0.00 O ATOM 827 CB HIS A 59 10.382 12.887 -0.076 1.00 0.00 C ATOM 828 CG HIS A 59 11.257 14.093 -0.445 1.00 0.00 C ATOM 829 ND1 HIS A 59 11.068 14.895 -1.441 1.00 0.00 N ATOM 830 CD2 HIS A 59 12.400 14.576 0.160 1.00 0.00 C ATOM 831 CE1 HIS A 59 11.999 15.798 -1.463 1.00 0.00 C ATOM 832 NE2 HIS A 59 12.850 15.635 -0.483 1.00 0.00 N ATOM 0 H HIS A 59 8.476 11.726 1.043 1.00 0.00 H new ATOM 0 HA HIS A 59 8.581 14.177 -0.271 1.00 0.00 H new ATOM 0 HB2 HIS A 59 10.433 12.700 0.997 1.00 0.00 H new ATOM 0 HB3 HIS A 59 10.750 11.990 -0.574 1.00 0.00 H new ATOM 0 HD1 HIS A 59 10.301 14.828 -2.110 1.00 0.00 H new ATOM 0 HD2 HIS A 59 12.861 14.146 1.037 1.00 0.00 H new ATOM 0 HE1 HIS A 59 12.063 16.586 -2.199 1.00 0.00 H new ATOM 840 N ASN A 60 8.935 11.890 -2.540 1.00 0.00 N ATOM 841 CA ASN A 60 8.870 11.638 -4.014 1.00 0.00 C ATOM 842 C ASN A 60 8.474 10.183 -4.314 1.00 0.00 C ATOM 843 O ASN A 60 9.219 9.489 -4.978 1.00 0.00 O ATOM 844 CB ASN A 60 10.256 11.961 -4.650 1.00 0.00 C ATOM 845 CG ASN A 60 10.223 11.885 -6.195 1.00 0.00 C ATOM 846 OD1 ASN A 60 11.071 12.430 -6.860 1.00 0.00 O ATOM 847 ND2 ASN A 60 9.316 11.242 -6.874 1.00 0.00 N ATOM 0 H ASN A 60 9.053 11.048 -1.977 1.00 0.00 H new ATOM 0 HA ASN A 60 8.106 12.284 -4.446 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.571 12.959 -4.344 1.00 0.00 H new ATOM 0 HB3 ASN A 60 11.000 11.261 -4.269 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.358 11.226 -7.893 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.564 10.754 -6.387 1.00 0.00 H new ATOM 854 N LEU A 61 7.335 9.761 -3.817 1.00 0.00 N ATOM 855 CA LEU A 61 6.858 8.347 -4.071 1.00 0.00 C ATOM 856 C LEU A 61 7.279 7.933 -5.511 1.00 0.00 C ATOM 857 O LEU A 61 6.997 8.633 -6.467 1.00 0.00 O ATOM 858 CB LEU A 61 5.312 8.381 -3.829 1.00 0.00 C ATOM 859 CG LEU A 61 4.467 7.223 -4.441 1.00 0.00 C ATOM 860 CD1 LEU A 61 4.225 7.521 -5.927 1.00 0.00 C ATOM 861 CD2 LEU A 61 5.108 5.823 -4.291 1.00 0.00 C ATOM 0 H LEU A 61 6.709 10.329 -3.245 1.00 0.00 H new ATOM 0 HA LEU A 61 7.296 7.595 -3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.139 8.392 -2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.929 9.322 -4.223 1.00 0.00 H new ATOM 0 HG LEU A 61 3.533 7.185 -3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.634 6.718 -6.368 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.687 8.464 -6.026 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.182 7.593 -6.444 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.457 5.074 -4.743 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.076 5.811 -4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.243 5.596 -3.233 1.00 0.00 H new ATOM 873 N ASN A 62 7.949 6.830 -5.633 1.00 0.00 N ATOM 874 CA ASN A 62 8.408 6.344 -6.955 1.00 0.00 C ATOM 875 C ASN A 62 7.637 5.074 -7.343 1.00 0.00 C ATOM 876 O ASN A 62 8.093 3.992 -7.024 1.00 0.00 O ATOM 877 CB ASN A 62 9.922 6.118 -6.798 1.00 0.00 C ATOM 878 CG ASN A 62 10.508 5.720 -8.128 1.00 0.00 C ATOM 879 OD1 ASN A 62 11.287 6.405 -8.746 1.00 0.00 O ATOM 880 ND2 ASN A 62 10.166 4.592 -8.646 1.00 0.00 N ATOM 0 H ASN A 62 8.205 6.228 -4.850 1.00 0.00 H new ATOM 0 HA ASN A 62 8.220 7.049 -7.765 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.401 7.027 -6.434 1.00 0.00 H new ATOM 0 HB3 ASN A 62 10.110 5.340 -6.058 1.00 0.00 H new ATOM 0 HD21 ASN A 62 10.551 4.307 -9.546 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.510 3.984 -8.156 1.00 0.00 H new ATOM 887 N LEU A 63 6.510 5.262 -7.991 1.00 0.00 N ATOM 888 CA LEU A 63 5.608 4.147 -8.461 1.00 0.00 C ATOM 889 C LEU A 63 6.216 2.741 -8.547 1.00 0.00 C ATOM 890 O LEU A 63 5.621 1.782 -8.099 1.00 0.00 O ATOM 891 CB LEU A 63 4.990 4.538 -9.862 1.00 0.00 C ATOM 892 CG LEU A 63 5.986 4.651 -11.062 1.00 0.00 C ATOM 893 CD1 LEU A 63 5.163 4.859 -12.339 1.00 0.00 C ATOM 894 CD2 LEU A 63 6.898 5.878 -10.920 1.00 0.00 C ATOM 0 H LEU A 63 6.159 6.190 -8.227 1.00 0.00 H new ATOM 0 HA LEU A 63 4.857 4.060 -7.675 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.232 3.798 -10.118 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.478 5.494 -9.753 1.00 0.00 H new ATOM 0 HG LEU A 63 6.594 3.747 -11.090 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.833 4.941 -13.195 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.494 4.011 -12.483 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.576 5.773 -12.249 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.578 5.926 -11.771 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.290 6.782 -10.890 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.475 5.798 -9.999 1.00 0.00 H new ATOM 906 N ASN A 64 7.376 2.670 -9.141 1.00 0.00 N ATOM 907 CA ASN A 64 8.110 1.371 -9.293 1.00 0.00 C ATOM 908 C ASN A 64 8.108 0.649 -7.919 1.00 0.00 C ATOM 909 O ASN A 64 7.600 -0.446 -7.783 1.00 0.00 O ATOM 910 CB ASN A 64 9.539 1.726 -9.780 1.00 0.00 C ATOM 911 CG ASN A 64 10.476 0.535 -9.899 1.00 0.00 C ATOM 912 OD1 ASN A 64 10.440 -0.249 -10.819 1.00 0.00 O ATOM 913 ND2 ASN A 64 11.348 0.369 -8.955 1.00 0.00 N ATOM 0 H ASN A 64 7.861 3.475 -9.538 1.00 0.00 H new ATOM 0 HA ASN A 64 7.648 0.696 -10.014 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.468 2.215 -10.752 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.976 2.449 -9.091 1.00 0.00 H new ATOM 0 HD21 ASN A 64 11.996 -0.418 -8.992 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.386 1.025 -8.175 1.00 0.00 H new ATOM 920 N ASN A 65 8.651 1.313 -6.929 1.00 0.00 N ATOM 921 CA ASN A 65 8.728 0.737 -5.547 1.00 0.00 C ATOM 922 C ASN A 65 7.345 0.208 -5.165 1.00 0.00 C ATOM 923 O ASN A 65 7.171 -0.934 -4.782 1.00 0.00 O ATOM 924 CB ASN A 65 9.179 1.864 -4.658 1.00 0.00 C ATOM 925 CG ASN A 65 10.526 2.433 -5.086 1.00 0.00 C ATOM 926 OD1 ASN A 65 10.924 2.333 -6.227 1.00 0.00 O ATOM 927 ND2 ASN A 65 11.269 3.047 -4.232 1.00 0.00 N ATOM 0 H ASN A 65 9.052 2.247 -7.020 1.00 0.00 H new ATOM 0 HA ASN A 65 9.424 -0.098 -5.461 1.00 0.00 H new ATOM 0 HB2 ASN A 65 8.431 2.657 -4.672 1.00 0.00 H new ATOM 0 HB3 ASN A 65 9.247 1.508 -3.630 1.00 0.00 H new ATOM 0 HD21 ASN A 65 12.167 3.434 -4.522 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.960 3.146 -3.265 1.00 0.00 H new ATOM 934 N ALA A 66 6.403 1.090 -5.311 1.00 0.00 N ATOM 935 CA ALA A 66 5.001 0.726 -4.976 1.00 0.00 C ATOM 936 C ALA A 66 4.480 -0.538 -5.728 1.00 0.00 C ATOM 937 O ALA A 66 4.088 -1.467 -5.053 1.00 0.00 O ATOM 938 CB ALA A 66 4.204 2.003 -5.263 1.00 0.00 C ATOM 0 H ALA A 66 6.540 2.044 -5.646 1.00 0.00 H new ATOM 0 HA ALA A 66 4.898 0.415 -3.937 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.150 1.831 -5.044 1.00 0.00 H new ATOM 0 HB2 ALA A 66 4.577 2.813 -4.637 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.317 2.274 -6.313 1.00 0.00 H new ATOM 944 N ALA A 67 4.492 -0.555 -7.041 1.00 0.00 N ATOM 945 CA ALA A 67 4.007 -1.745 -7.855 1.00 0.00 C ATOM 946 C ALA A 67 4.767 -3.039 -7.509 1.00 0.00 C ATOM 947 O ALA A 67 4.239 -4.149 -7.439 1.00 0.00 O ATOM 948 CB ALA A 67 4.196 -1.413 -9.331 1.00 0.00 C ATOM 0 H ALA A 67 4.826 0.224 -7.609 1.00 0.00 H new ATOM 0 HA ALA A 67 2.957 -1.924 -7.621 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.856 -2.251 -9.939 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.617 -0.524 -9.581 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.251 -1.226 -9.530 1.00 0.00 H new ATOM 954 N SER A 68 6.036 -2.754 -7.309 1.00 0.00 N ATOM 955 CA SER A 68 7.044 -3.770 -6.951 1.00 0.00 C ATOM 956 C SER A 68 6.471 -4.412 -5.748 1.00 0.00 C ATOM 957 O SER A 68 6.364 -5.617 -5.763 1.00 0.00 O ATOM 958 CB SER A 68 8.409 -3.081 -6.643 1.00 0.00 C ATOM 959 OG SER A 68 8.971 -3.721 -5.498 1.00 0.00 O ATOM 0 H SER A 68 6.415 -1.810 -7.387 1.00 0.00 H new ATOM 0 HA SER A 68 7.246 -4.489 -7.745 1.00 0.00 H new ATOM 0 HB2 SER A 68 9.081 -3.166 -7.497 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.266 -2.017 -6.454 1.00 0.00 H new ATOM 0 HG SER A 68 9.171 -3.049 -4.813 1.00 0.00 H new ATOM 965 N ILE A 69 6.100 -3.632 -4.756 1.00 0.00 N ATOM 966 CA ILE A 69 5.536 -4.322 -3.569 1.00 0.00 C ATOM 967 C ILE A 69 4.520 -5.472 -3.866 1.00 0.00 C ATOM 968 O ILE A 69 4.914 -6.607 -3.678 1.00 0.00 O ATOM 969 CB ILE A 69 4.904 -3.258 -2.616 1.00 0.00 C ATOM 970 CG1 ILE A 69 5.934 -2.223 -2.107 1.00 0.00 C ATOM 971 CG2 ILE A 69 4.347 -3.947 -1.377 1.00 0.00 C ATOM 972 CD1 ILE A 69 7.049 -2.901 -1.214 1.00 0.00 C ATOM 0 H ILE A 69 6.160 -2.614 -4.720 1.00 0.00 H new ATOM 0 HA ILE A 69 6.375 -4.832 -3.097 1.00 0.00 H new ATOM 0 HB ILE A 69 4.134 -2.751 -3.198 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.401 -1.725 -2.957 1.00 0.00 H new ATOM 0 HG13 ILE A 69 5.422 -1.454 -1.529 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.907 -3.203 -0.714 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.583 -4.666 -1.673 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.152 -4.466 -0.856 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.755 -2.143 -0.875 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.584 -3.376 -0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.578 -3.652 -1.801 1.00 0.00 H new ATOM 984 N PRO A 70 3.299 -5.282 -4.311 1.00 0.00 N ATOM 985 CA PRO A 70 2.340 -6.416 -4.456 1.00 0.00 C ATOM 986 C PRO A 70 2.904 -7.498 -5.378 1.00 0.00 C ATOM 987 O PRO A 70 2.770 -8.680 -5.101 1.00 0.00 O ATOM 988 CB PRO A 70 1.078 -5.765 -4.986 1.00 0.00 C ATOM 989 CG PRO A 70 1.610 -4.524 -5.701 1.00 0.00 C ATOM 990 CD PRO A 70 2.703 -4.012 -4.756 1.00 0.00 C ATOM 0 HA PRO A 70 2.145 -6.942 -3.522 1.00 0.00 H new ATOM 0 HB2 PRO A 70 0.539 -6.424 -5.667 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.389 -5.504 -4.182 1.00 0.00 H new ATOM 0 HG2 PRO A 70 2.011 -4.768 -6.685 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.828 -3.780 -5.851 1.00 0.00 H new ATOM 0 HD2 PRO A 70 3.424 -3.373 -5.266 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.295 -3.434 -3.927 1.00 0.00 H new ATOM 998 N SER A 71 3.527 -7.051 -6.440 1.00 0.00 N ATOM 999 CA SER A 71 4.120 -8.012 -7.427 1.00 0.00 C ATOM 1000 C SER A 71 5.209 -8.923 -6.855 1.00 0.00 C ATOM 1001 O SER A 71 5.209 -10.118 -7.064 1.00 0.00 O ATOM 1002 CB SER A 71 4.667 -7.187 -8.569 1.00 0.00 C ATOM 1003 OG SER A 71 3.512 -6.448 -8.953 1.00 0.00 O ATOM 0 H SER A 71 3.652 -6.065 -6.668 1.00 0.00 H new ATOM 0 HA SER A 71 3.335 -8.697 -7.747 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.485 -6.539 -8.254 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.047 -7.808 -9.380 1.00 0.00 H new ATOM 0 HG SER A 71 3.565 -5.542 -8.582 1.00 0.00 H new ATOM 1009 N LYS A 72 6.130 -8.347 -6.141 1.00 0.00 N ATOM 1010 CA LYS A 72 7.221 -9.178 -5.556 1.00 0.00 C ATOM 1011 C LYS A 72 6.853 -9.655 -4.121 1.00 0.00 C ATOM 1012 O LYS A 72 7.567 -10.440 -3.525 1.00 0.00 O ATOM 1013 CB LYS A 72 8.506 -8.258 -5.691 1.00 0.00 C ATOM 1014 CG LYS A 72 9.140 -7.800 -4.372 1.00 0.00 C ATOM 1015 CD LYS A 72 8.133 -6.859 -3.653 1.00 0.00 C ATOM 1016 CE LYS A 72 8.640 -6.253 -2.372 1.00 0.00 C ATOM 1017 NZ LYS A 72 9.379 -7.290 -1.592 1.00 0.00 N ATOM 0 H LYS A 72 6.178 -7.349 -5.937 1.00 0.00 H new ATOM 0 HA LYS A 72 7.401 -10.126 -6.063 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.258 -8.799 -6.265 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.238 -7.374 -6.270 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.373 -8.659 -3.743 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.079 -7.279 -4.561 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.858 -6.055 -4.335 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.223 -7.420 -3.438 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.296 -5.410 -2.590 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.807 -5.866 -1.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.830 -6.847 -0.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.714 -8.023 -1.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.108 -7.723 -2.194 1.00 0.00 H new ATOM 1031 N CYS A 73 5.747 -9.171 -3.600 1.00 0.00 N ATOM 1032 CA CYS A 73 5.282 -9.572 -2.224 1.00 0.00 C ATOM 1033 C CYS A 73 4.225 -10.690 -2.369 1.00 0.00 C ATOM 1034 O CYS A 73 3.393 -10.893 -1.512 1.00 0.00 O ATOM 1035 CB CYS A 73 4.634 -8.361 -1.502 1.00 0.00 C ATOM 1036 SG CYS A 73 5.655 -6.936 -1.061 1.00 0.00 S ATOM 0 H CYS A 73 5.137 -8.506 -4.075 1.00 0.00 H new ATOM 0 HA CYS A 73 6.135 -9.920 -1.641 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.824 -7.999 -2.135 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.179 -8.733 -0.584 1.00 0.00 H new ATOM 1041 N ASN A 74 4.293 -11.407 -3.463 1.00 0.00 N ATOM 1042 CA ASN A 74 3.325 -12.519 -3.724 1.00 0.00 C ATOM 1043 C ASN A 74 1.857 -12.137 -3.389 1.00 0.00 C ATOM 1044 O ASN A 74 1.115 -12.921 -2.826 1.00 0.00 O ATOM 1045 CB ASN A 74 3.814 -13.736 -2.886 1.00 0.00 C ATOM 1046 CG ASN A 74 5.085 -14.303 -3.492 1.00 0.00 C ATOM 1047 OD1 ASN A 74 5.065 -15.155 -4.350 1.00 0.00 O ATOM 1048 ND2 ASN A 74 6.237 -13.876 -3.101 1.00 0.00 N ATOM 0 H ASN A 74 4.988 -11.268 -4.197 1.00 0.00 H new ATOM 0 HA ASN A 74 3.307 -12.756 -4.788 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.997 -13.430 -1.856 1.00 0.00 H new ATOM 0 HB3 ASN A 74 3.040 -14.503 -2.858 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.089 -14.256 -3.514 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.297 -13.158 -2.379 1.00 0.00 H new ATOM 1055 N VAL A 75 1.499 -10.923 -3.725 1.00 0.00 N ATOM 1056 CA VAL A 75 0.091 -10.450 -3.463 1.00 0.00 C ATOM 1057 C VAL A 75 -0.481 -9.997 -4.817 1.00 0.00 C ATOM 1058 O VAL A 75 -1.675 -9.856 -4.954 1.00 0.00 O ATOM 1059 CB VAL A 75 0.005 -9.214 -2.485 1.00 0.00 C ATOM 1060 CG1 VAL A 75 -1.127 -9.395 -1.474 1.00 0.00 C ATOM 1061 CG2 VAL A 75 1.230 -8.944 -1.699 1.00 0.00 C ATOM 0 H VAL A 75 2.111 -10.238 -4.167 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.454 -11.271 -2.996 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.161 -8.371 -3.156 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -1.165 -8.530 -0.812 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.075 -9.489 -2.003 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.949 -10.295 -0.885 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.068 -8.076 -1.059 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.465 -9.811 -1.082 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.061 -8.745 -2.376 1.00 0.00 H new ATOM 1071 N ASN A 76 0.410 -9.781 -5.763 1.00 0.00 N ATOM 1072 CA ASN A 76 0.137 -9.331 -7.182 1.00 0.00 C ATOM 1073 C ASN A 76 -1.171 -8.557 -7.385 1.00 0.00 C ATOM 1074 O ASN A 76 -1.862 -8.727 -8.373 1.00 0.00 O ATOM 1075 CB ASN A 76 0.135 -10.593 -8.083 1.00 0.00 C ATOM 1076 CG ASN A 76 -1.169 -11.412 -8.003 1.00 0.00 C ATOM 1077 OD1 ASN A 76 -1.331 -12.374 -8.713 1.00 0.00 O ATOM 1078 ND2 ASN A 76 -2.157 -11.156 -7.212 1.00 0.00 N ATOM 0 H ASN A 76 1.407 -9.911 -5.590 1.00 0.00 H new ATOM 0 HA ASN A 76 0.924 -8.623 -7.444 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.300 -10.290 -9.117 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.972 -11.231 -7.800 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.987 -11.749 -7.224 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -2.108 -10.361 -6.575 1.00 0.00 H new ATOM 1085 N VAL A 77 -1.465 -7.720 -6.444 1.00 0.00 N ATOM 1086 CA VAL A 77 -2.720 -6.938 -6.545 1.00 0.00 C ATOM 1087 C VAL A 77 -2.566 -5.510 -7.106 1.00 0.00 C ATOM 1088 O VAL A 77 -1.601 -4.836 -6.808 1.00 0.00 O ATOM 1089 CB VAL A 77 -3.293 -6.966 -5.121 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -2.382 -6.209 -4.129 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -4.688 -6.382 -5.104 1.00 0.00 C ATOM 0 H VAL A 77 -0.898 -7.542 -5.615 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.389 -7.382 -7.282 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.340 -8.007 -4.802 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.818 -6.249 -3.131 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.396 -6.674 -4.113 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.288 -5.169 -4.442 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.081 -6.409 -4.088 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.655 -5.350 -5.453 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.335 -6.966 -5.759 1.00 0.00 H new ATOM 1101 N PRO A 78 -3.528 -5.099 -7.914 1.00 0.00 N ATOM 1102 CA PRO A 78 -3.787 -3.671 -8.282 1.00 0.00 C ATOM 1103 C PRO A 78 -3.425 -2.564 -7.289 1.00 0.00 C ATOM 1104 O PRO A 78 -2.828 -1.580 -7.679 1.00 0.00 O ATOM 1105 CB PRO A 78 -5.267 -3.685 -8.665 1.00 0.00 C ATOM 1106 CG PRO A 78 -5.326 -4.995 -9.479 1.00 0.00 C ATOM 1107 CD PRO A 78 -4.522 -5.985 -8.608 1.00 0.00 C ATOM 0 HA PRO A 78 -3.099 -3.376 -9.075 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -5.922 -3.707 -7.794 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -5.552 -2.815 -9.256 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -6.352 -5.331 -9.628 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -4.883 -4.876 -10.468 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -5.162 -6.507 -7.897 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -4.030 -6.746 -9.213 1.00 0.00 H new ATOM 1115 N TYR A 79 -3.756 -2.681 -6.030 1.00 0.00 N ATOM 1116 CA TYR A 79 -3.376 -1.563 -5.119 1.00 0.00 C ATOM 1117 C TYR A 79 -1.960 -1.715 -4.541 1.00 0.00 C ATOM 1118 O TYR A 79 -1.656 -2.511 -3.676 1.00 0.00 O ATOM 1119 CB TYR A 79 -4.410 -1.446 -3.982 1.00 0.00 C ATOM 1120 CG TYR A 79 -5.045 -2.743 -3.496 1.00 0.00 C ATOM 1121 CD1 TYR A 79 -6.146 -3.245 -4.157 1.00 0.00 C ATOM 1122 CD2 TYR A 79 -4.570 -3.383 -2.373 1.00 0.00 C ATOM 1123 CE1 TYR A 79 -6.772 -4.374 -3.686 1.00 0.00 C ATOM 1124 CE2 TYR A 79 -5.201 -4.524 -1.901 1.00 0.00 C ATOM 1125 CZ TYR A 79 -6.308 -5.009 -2.569 1.00 0.00 C ATOM 1126 OH TYR A 79 -7.013 -6.103 -2.142 1.00 0.00 O ATOM 0 H TYR A 79 -4.251 -3.466 -5.607 1.00 0.00 H new ATOM 0 HA TYR A 79 -3.371 -0.649 -5.714 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.927 -0.964 -3.132 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -5.207 -0.781 -4.315 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -6.516 -2.752 -5.044 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -3.703 -2.995 -1.858 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -7.637 -4.762 -4.203 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -4.831 -5.028 -1.020 1.00 0.00 H new ATOM 0 HH TYR A 79 -6.511 -6.918 -2.352 1.00 0.00 H new ATOM 1136 N THR A 80 -1.123 -0.896 -5.096 1.00 0.00 N ATOM 1137 CA THR A 80 0.320 -0.841 -4.717 1.00 0.00 C ATOM 1138 C THR A 80 0.522 0.581 -4.174 1.00 0.00 C ATOM 1139 O THR A 80 0.478 1.507 -4.950 1.00 0.00 O ATOM 1140 CB THR A 80 1.155 -1.176 -6.022 1.00 0.00 C ATOM 1141 OG1 THR A 80 1.588 -0.005 -6.707 1.00 0.00 O ATOM 1142 CG2 THR A 80 0.294 -1.764 -7.170 1.00 0.00 C ATOM 0 H THR A 80 -1.385 -0.234 -5.826 1.00 0.00 H new ATOM 0 HA THR A 80 0.644 -1.553 -3.957 1.00 0.00 H new ATOM 0 HB THR A 80 1.932 -1.829 -5.625 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.028 0.755 -6.443 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.929 -1.970 -8.032 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.175 -2.689 -6.836 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.477 -1.047 -7.450 1.00 0.00 H new ATOM 1150 N ILE A 81 0.762 0.732 -2.898 1.00 0.00 N ATOM 1151 CA ILE A 81 0.960 2.084 -2.226 1.00 0.00 C ATOM 1152 C ILE A 81 1.165 3.301 -3.174 1.00 0.00 C ATOM 1153 O ILE A 81 2.215 3.889 -3.330 1.00 0.00 O ATOM 1154 CB ILE A 81 2.165 1.829 -1.278 1.00 0.00 C ATOM 1155 CG1 ILE A 81 2.770 3.058 -0.587 1.00 0.00 C ATOM 1156 CG2 ILE A 81 3.297 1.208 -2.104 1.00 0.00 C ATOM 1157 CD1 ILE A 81 1.723 3.772 0.276 1.00 0.00 C ATOM 0 H ILE A 81 0.835 -0.055 -2.253 1.00 0.00 H new ATOM 0 HA ILE A 81 0.052 2.399 -1.711 1.00 0.00 H new ATOM 0 HB ILE A 81 1.761 1.196 -0.488 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.612 2.753 0.034 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.160 3.747 -1.337 1.00 0.00 H new ATOM 0 HG21 ILE A 81 4.156 1.019 -1.460 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.957 0.269 -2.540 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.585 1.894 -2.901 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.177 4.640 0.755 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.894 4.097 -0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.353 3.088 1.040 1.00 0.00 H new ATOM 1169 N SER A 82 0.066 3.647 -3.809 1.00 0.00 N ATOM 1170 CA SER A 82 0.075 4.791 -4.774 1.00 0.00 C ATOM 1171 C SER A 82 -1.065 5.849 -4.785 1.00 0.00 C ATOM 1172 O SER A 82 -2.237 5.523 -4.701 1.00 0.00 O ATOM 1173 CB SER A 82 0.200 4.164 -6.150 1.00 0.00 C ATOM 1174 OG SER A 82 1.548 3.693 -6.125 1.00 0.00 O ATOM 0 H SER A 82 -0.836 3.184 -3.698 1.00 0.00 H new ATOM 0 HA SER A 82 0.901 5.417 -4.435 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.515 3.355 -6.299 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.033 4.888 -6.948 1.00 0.00 H new ATOM 0 HG SER A 82 1.562 2.758 -5.832 1.00 0.00 H new ATOM 1180 N PRO A 83 -0.658 7.116 -4.909 1.00 0.00 N ATOM 1181 CA PRO A 83 -1.546 8.327 -4.932 1.00 0.00 C ATOM 1182 C PRO A 83 -2.790 8.318 -5.848 1.00 0.00 C ATOM 1183 O PRO A 83 -3.825 8.826 -5.441 1.00 0.00 O ATOM 1184 CB PRO A 83 -0.566 9.498 -5.266 1.00 0.00 C ATOM 1185 CG PRO A 83 0.600 8.792 -5.966 1.00 0.00 C ATOM 1186 CD PRO A 83 0.764 7.582 -5.071 1.00 0.00 C ATOM 0 HA PRO A 83 -2.049 8.404 -3.968 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -1.033 10.241 -5.912 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.239 10.018 -4.366 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.363 8.519 -6.994 1.00 0.00 H new ATOM 0 HG3 PRO A 83 1.498 9.408 -5.999 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.394 6.819 -5.528 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.220 7.840 -4.115 1.00 0.00 H new ATOM 1194 N ASP A 84 -2.642 7.754 -7.021 1.00 0.00 N ATOM 1195 CA ASP A 84 -3.753 7.668 -8.030 1.00 0.00 C ATOM 1196 C ASP A 84 -4.302 6.220 -8.186 1.00 0.00 C ATOM 1197 O ASP A 84 -4.488 5.689 -9.261 1.00 0.00 O ATOM 1198 CB ASP A 84 -3.149 8.265 -9.358 1.00 0.00 C ATOM 1199 CG ASP A 84 -4.087 8.224 -10.592 1.00 0.00 C ATOM 1200 OD1 ASP A 84 -5.242 8.594 -10.450 1.00 0.00 O ATOM 1201 OD2 ASP A 84 -3.574 7.831 -11.629 1.00 0.00 O ATOM 0 H ASP A 84 -1.767 7.334 -7.334 1.00 0.00 H new ATOM 0 HA ASP A 84 -4.632 8.233 -7.720 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -2.864 9.301 -9.174 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -2.236 7.721 -9.599 1.00 0.00 H new ATOM 1206 N ILE A 85 -4.548 5.605 -7.059 1.00 0.00 N ATOM 1207 CA ILE A 85 -5.105 4.200 -7.070 1.00 0.00 C ATOM 1208 C ILE A 85 -6.608 4.389 -6.878 1.00 0.00 C ATOM 1209 O ILE A 85 -6.963 5.136 -5.993 1.00 0.00 O ATOM 1210 CB ILE A 85 -4.593 3.356 -5.877 1.00 0.00 C ATOM 1211 CG1 ILE A 85 -3.193 2.893 -6.081 1.00 0.00 C ATOM 1212 CG2 ILE A 85 -5.451 2.048 -5.751 1.00 0.00 C ATOM 1213 CD1 ILE A 85 -2.678 2.374 -4.704 1.00 0.00 C ATOM 0 H ILE A 85 -4.392 6.003 -6.133 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.816 3.685 -7.986 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.660 3.994 -4.996 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.154 2.102 -6.830 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.567 3.708 -6.445 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -5.089 1.455 -4.911 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.495 2.312 -5.586 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -5.365 1.467 -6.669 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.651 2.023 -4.808 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.713 3.183 -3.974 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -3.309 1.552 -4.366 1.00 0.00 H new ATOM 1225 N ASP A 86 -7.465 3.755 -7.629 1.00 0.00 N ATOM 1226 CA ASP A 86 -8.928 3.965 -7.407 1.00 0.00 C ATOM 1227 C ASP A 86 -9.591 2.734 -6.714 1.00 0.00 C ATOM 1228 O ASP A 86 -10.635 2.237 -7.110 1.00 0.00 O ATOM 1229 CB ASP A 86 -9.524 4.288 -8.825 1.00 0.00 C ATOM 1230 CG ASP A 86 -10.956 4.834 -8.754 1.00 0.00 C ATOM 1231 OD1 ASP A 86 -11.377 5.133 -7.643 1.00 0.00 O ATOM 1232 OD2 ASP A 86 -11.534 4.920 -9.827 1.00 0.00 O ATOM 0 H ASP A 86 -7.223 3.107 -8.379 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.126 4.786 -6.719 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.886 5.016 -9.326 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -9.514 3.384 -9.434 1.00 0.00 H new ATOM 1237 N CYS A 87 -8.939 2.259 -5.668 1.00 0.00 N ATOM 1238 CA CYS A 87 -9.449 1.075 -4.876 1.00 0.00 C ATOM 1239 C CYS A 87 -10.963 1.116 -4.737 1.00 0.00 C ATOM 1240 O CYS A 87 -11.638 0.115 -4.679 1.00 0.00 O ATOM 1241 CB CYS A 87 -8.849 1.062 -3.484 1.00 0.00 C ATOM 1242 SG CYS A 87 -7.062 0.938 -3.290 1.00 0.00 S ATOM 0 H CYS A 87 -8.061 2.647 -5.323 1.00 0.00 H new ATOM 0 HA CYS A 87 -9.155 0.178 -5.421 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -9.170 1.975 -2.981 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -9.295 0.227 -2.944 1.00 0.00 H new ATOM 1247 N SER A 88 -11.421 2.331 -4.652 1.00 0.00 N ATOM 1248 CA SER A 88 -12.863 2.675 -4.530 1.00 0.00 C ATOM 1249 C SER A 88 -13.728 1.595 -5.172 1.00 0.00 C ATOM 1250 O SER A 88 -14.616 1.012 -4.586 1.00 0.00 O ATOM 1251 CB SER A 88 -13.121 3.974 -5.260 1.00 0.00 C ATOM 1252 OG SER A 88 -12.023 4.829 -4.952 1.00 0.00 O ATOM 0 H SER A 88 -10.813 3.150 -4.663 1.00 0.00 H new ATOM 0 HA SER A 88 -13.112 2.761 -3.472 1.00 0.00 H new ATOM 0 HB2 SER A 88 -13.196 3.808 -6.335 1.00 0.00 H new ATOM 0 HB3 SER A 88 -14.063 4.420 -4.940 1.00 0.00 H new ATOM 0 HG SER A 88 -11.590 5.118 -5.783 1.00 0.00 H new ATOM 1258 N ARG A 89 -13.345 1.419 -6.405 1.00 0.00 N ATOM 1259 CA ARG A 89 -13.969 0.449 -7.347 1.00 0.00 C ATOM 1260 C ARG A 89 -12.978 -0.689 -7.666 1.00 0.00 C ATOM 1261 O ARG A 89 -13.369 -1.825 -7.848 1.00 0.00 O ATOM 1262 CB ARG A 89 -14.355 1.244 -8.625 1.00 0.00 C ATOM 1263 CG ARG A 89 -13.081 1.925 -9.235 1.00 0.00 C ATOM 1264 CD ARG A 89 -13.335 2.484 -10.635 1.00 0.00 C ATOM 1265 NE ARG A 89 -13.758 1.321 -11.494 1.00 0.00 N ATOM 1266 CZ ARG A 89 -12.878 0.514 -11.975 1.00 0.00 C ATOM 1267 NH1 ARG A 89 -12.237 0.821 -13.028 1.00 0.00 N ATOM 1268 NH2 ARG A 89 -12.692 -0.570 -11.345 1.00 0.00 N ATOM 0 H ARG A 89 -12.575 1.943 -6.821 1.00 0.00 H new ATOM 0 HA ARG A 89 -14.856 -0.015 -6.914 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -14.806 0.575 -9.358 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -15.101 2.000 -8.382 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -12.753 2.731 -8.578 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -12.269 1.199 -9.278 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -14.110 3.250 -10.611 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -12.435 2.953 -11.034 1.00 0.00 H new ATOM 0 HE ARG A 89 -14.747 1.172 -11.696 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -12.419 1.709 -13.495 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -11.540 0.179 -13.406 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -13.228 -0.767 -10.500 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -12.006 -1.245 -11.683 1.00 0.00 H new ATOM 1282 N ILE A 90 -11.738 -0.273 -7.719 1.00 0.00 N ATOM 1283 CA ILE A 90 -10.520 -1.113 -8.011 1.00 0.00 C ATOM 1284 C ILE A 90 -10.273 -1.113 -9.522 1.00 0.00 C ATOM 1285 O ILE A 90 -10.880 -1.845 -10.285 1.00 0.00 O ATOM 1286 CB ILE A 90 -10.687 -2.602 -7.486 1.00 0.00 C ATOM 1287 CG1 ILE A 90 -10.943 -2.488 -5.943 1.00 0.00 C ATOM 1288 CG2 ILE A 90 -9.388 -3.378 -7.807 1.00 0.00 C ATOM 1289 CD1 ILE A 90 -10.025 -3.291 -4.994 1.00 0.00 C ATOM 0 H ILE A 90 -11.498 0.705 -7.557 1.00 0.00 H new ATOM 0 HA ILE A 90 -9.668 -0.681 -7.486 1.00 0.00 H new ATOM 0 HB ILE A 90 -11.511 -3.139 -7.956 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -10.868 -1.436 -5.669 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -11.971 -2.795 -5.752 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -9.481 -4.405 -7.454 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -9.221 -3.378 -8.884 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -8.545 -2.898 -7.309 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -10.323 -3.112 -3.961 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -10.112 -4.354 -5.217 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.991 -2.974 -5.133 1.00 0.00 H new ATOM 1301 N TYR A 91 -9.367 -0.256 -9.901 1.00 0.00 N ATOM 1302 CA TYR A 91 -8.993 -0.112 -11.338 1.00 0.00 C ATOM 1303 C TYR A 91 -7.670 -0.893 -11.564 1.00 0.00 C ATOM 1304 O TYR A 91 -7.668 -1.731 -12.457 1.00 0.00 O ATOM 1305 CB TYR A 91 -8.839 1.413 -11.613 1.00 0.00 C ATOM 1306 CG TYR A 91 -9.004 1.742 -13.105 1.00 0.00 C ATOM 1307 CD1 TYR A 91 -8.303 1.046 -14.062 1.00 0.00 C ATOM 1308 CD2 TYR A 91 -9.859 2.749 -13.512 1.00 0.00 C ATOM 1309 CE1 TYR A 91 -8.446 1.340 -15.403 1.00 0.00 C ATOM 1310 CE2 TYR A 91 -10.000 3.043 -14.855 1.00 0.00 C ATOM 1311 CZ TYR A 91 -9.296 2.342 -15.805 1.00 0.00 C ATOM 1312 OH TYR A 91 -9.444 2.648 -17.139 1.00 0.00 O ATOM 1313 OXT TYR A 91 -6.736 -0.613 -10.830 1.00 0.00 O ATOM 0 H TYR A 91 -8.861 0.361 -9.266 1.00 0.00 H new ATOM 0 HA TYR A 91 -9.739 -0.517 -12.021 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.581 1.964 -11.035 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -7.859 1.747 -11.273 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -7.630 0.257 -13.760 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.419 3.308 -12.777 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -7.888 0.780 -16.139 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -10.671 3.832 -15.161 1.00 0.00 H new ATOM 0 HH TYR A 91 -10.086 3.382 -17.237 1.00 0.00 H new TER 1323 TYR A 91 HETATM 1324 C1 PLM A 92 5.244 0.678 0.610 1.00 0.00 C HETATM 1325 O1 PLM A 92 5.662 -0.400 0.240 1.00 0.00 O HETATM 1326 O2 PLM A 92 5.706 1.708 0.173 1.00 0.00 O HETATM 1327 C2 PLM A 92 4.114 0.752 1.646 1.00 0.00 C HETATM 1328 C3 PLM A 92 3.960 -0.588 2.386 1.00 0.00 C HETATM 1329 C4 PLM A 92 3.559 -1.702 1.406 1.00 0.00 C HETATM 1330 C5 PLM A 92 2.568 -1.154 0.369 1.00 0.00 C HETATM 1331 C6 PLM A 92 1.665 -2.282 -0.146 1.00 0.00 C HETATM 1332 C7 PLM A 92 0.508 -1.665 -0.939 1.00 0.00 C HETATM 1333 C8 PLM A 92 -0.769 -2.485 -0.734 1.00 0.00 C HETATM 1334 C9 PLM A 92 -1.293 -2.276 0.690 1.00 0.00 C HETATM 1335 CA PLM A 92 -2.422 -3.275 0.967 1.00 0.00 C HETATM 1336 CB PLM A 92 -3.570 -2.552 1.675 1.00 0.00 C HETATM 1337 CC PLM A 92 -4.215 -1.558 0.703 1.00 0.00 C HETATM 1338 CD PLM A 92 -5.669 -1.957 0.467 1.00 0.00 C HETATM 1339 CE PLM A 92 -6.377 -0.840 -0.304 1.00 0.00 C HETATM 1340 CF PLM A 92 -7.780 -1.309 -0.678 1.00 0.00 C HETATM 1341 CG PLM A 92 -7.690 -2.219 -1.893 1.00 0.00 C HETATM 0 HG3 PLM A 92 -7.251 -1.671 -2.727 1.00 0.00 H new HETATM 0 HG2 PLM A 92 -7.065 -3.081 -1.657 1.00 0.00 H new HETATM 0 HG1 PLM A 92 -8.688 -2.559 -2.168 1.00 0.00 H new HETATM 0 HF2 PLM A 92 -8.235 -1.841 0.158 1.00 0.00 H new HETATM 0 HF1 PLM A 92 -8.418 -0.452 -0.896 1.00 0.00 H new HETATM 0 HE2 PLM A 92 -6.431 0.062 0.305 1.00 0.00 H new HETATM 0 HE1 PLM A 92 -5.813 -0.586 -1.201 1.00 0.00 H new HETATM 0 HD2 PLM A 92 -5.716 -2.890 -0.095 1.00 0.00 H new HETATM 0 HD1 PLM A 92 -6.170 -2.132 1.419 1.00 0.00 H new HETATM 0 HC2 PLM A 92 -4.164 -0.548 1.110 1.00 0.00 H new HETATM 0 HC1 PLM A 92 -3.670 -1.549 -0.241 1.00 0.00 H new HETATM 0 HB2 PLM A 92 -4.311 -3.273 2.022 1.00 0.00 H new HETATM 0 HB1 PLM A 92 -3.198 -2.029 2.556 1.00 0.00 H new HETATM 0 HA2 PLM A 92 -2.773 -3.713 0.033 1.00 0.00 H new HETATM 0 HA1 PLM A 92 -2.055 -4.094 1.586 1.00 0.00 H new HETATM 0 H92 PLM A 92 -0.486 -2.413 1.410 1.00 0.00 H new HETATM 0 H91 PLM A 92 -1.657 -1.256 0.809 1.00 0.00 H new HETATM 0 H82 PLM A 92 -1.526 -2.184 -1.458 1.00 0.00 H new HETATM 0 H81 PLM A 92 -0.566 -3.542 -0.906 1.00 0.00 H new HETATM 0 H72 PLM A 92 0.344 -0.637 -0.617 1.00 0.00 H new HETATM 0 H71 PLM A 92 0.761 -1.631 -1.999 1.00 0.00 H new HETATM 0 H62 PLM A 92 2.235 -2.963 -0.778 1.00 0.00 H new HETATM 0 H61 PLM A 92 1.280 -2.868 0.688 1.00 0.00 H new HETATM 0 H52 PLM A 92 1.961 -0.367 0.816 1.00 0.00 H new HETATM 0 H51 PLM A 92 3.111 -0.704 -0.462 1.00 0.00 H new HETATM 0 H42 PLM A 92 4.444 -2.093 0.905 1.00 0.00 H new HETATM 0 H41 PLM A 92 3.108 -2.532 1.950 1.00 0.00 H new HETATM 0 H32 PLM A 92 4.897 -0.848 2.878 1.00 0.00 H new HETATM 0 H31 PLM A 92 3.206 -0.494 3.167 1.00 0.00 H new HETATM 0 H22 PLM A 92 4.324 1.546 2.363 1.00 0.00 H new HETATM 0 H21 PLM A 92 3.177 1.009 1.151 1.00 0.00 H new