USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 810 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 27 ASN : amide:sc= -0.62! C(o=-3.4!,f=-1.4!) USER MOD Set 1.2: A 59 ASN : amide:sc= -2.76! C(o=-3.4!,f=-1.4!) USER MOD Set 2.1: A 10 LYS NZ :NH3+ 180:sc= -0.174 (180deg=-0.174) USER MOD Set 2.2: A 16 ASN : amide:sc= -6.28! C(o=-6.5!,f=-7.2!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 155:sc= -0.641 (180deg=-1.74!) USER MOD Single : A 26 LYS NZ :NH3+ 149:sc= -0.13 (180deg=-1.14) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 120:sc= -1.78 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 CYS SG : rot -156:sc= -1.32 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.0841 K(o=-0.084,f=-1.9!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 79:sc= 0.0957 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.0263 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= -3.98! C(o=-4!,f=-8.4!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 MET CE :methyl -138:sc= -0.208 (180deg=-1.66) USER MOD Single : A 67 SER OG : rot 130:sc= 0 USER MOD Single : A 68 THR OG1 : rot -59:sc= -0.982 USER MOD Single : A 70 ASN : amide:sc= -0.636 K(o=-0.64,f=-2.5!) USER MOD Single : A 76 LYS NZ :NH3+ -177:sc= -1.63! (180deg=-1.66!) USER MOD Single : A 78 HIS : no HE2:sc= -1.09 X(o=-1.1,f=-0.94) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 87:sc= 1.04 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 27:sc= 0.059 USER MOD Single : A 97 TYR OH : rot -97:sc= 0.676 USER MOD Single : A 98 ASN : amide:sc= -0.0492 K(o=-0.049,f=0.68) USER MOD Single : A 102 THR OG1 : rot -170:sc= -0.507 USER MOD Single : A 107 LYS NZ :NH3+ -141:sc= 0.00274 (180deg=-2.04!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 93:sc= 0.956 USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -5.014 -13.083 -2.689 1.00 0.00 N ATOM 67 CA PRO A 8 -3.837 -12.834 -1.851 1.00 0.00 C ATOM 68 C PRO A 8 -4.017 -11.621 -0.945 1.00 0.00 C ATOM 69 O PRO A 8 -3.783 -11.696 0.262 1.00 0.00 O ATOM 70 CB PRO A 8 -2.724 -12.580 -2.870 1.00 0.00 C ATOM 71 CG PRO A 8 -3.429 -12.089 -4.087 1.00 0.00 C ATOM 72 CD PRO A 8 -4.756 -12.796 -4.110 1.00 0.00 C ATOM 0 HA PRO A 8 -3.634 -13.665 -1.176 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.011 -11.843 -2.501 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.163 -13.491 -3.078 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.563 -11.008 -4.051 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.854 -12.309 -4.987 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.537 -12.170 -4.542 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.715 -13.709 -4.703 1.00 0.00 H new ATOM 80 N VAL A 9 -4.434 -10.505 -1.533 1.00 0.00 N ATOM 81 CA VAL A 9 -4.646 -9.276 -0.778 1.00 0.00 C ATOM 82 C VAL A 9 -6.108 -8.846 -0.828 1.00 0.00 C ATOM 83 O VAL A 9 -6.741 -8.881 -1.883 1.00 0.00 O ATOM 84 CB VAL A 9 -3.767 -8.130 -1.312 1.00 0.00 C ATOM 85 CG1 VAL A 9 -3.644 -8.211 -2.826 1.00 0.00 C ATOM 86 CG2 VAL A 9 -4.331 -6.783 -0.886 1.00 0.00 C ATOM 0 H VAL A 9 -4.632 -10.426 -2.531 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.367 -9.487 0.254 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.769 -8.232 -0.885 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.019 -7.393 -3.185 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.191 -9.163 -3.104 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.634 -8.136 -3.276 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.697 -5.985 -1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.340 -6.669 -1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.360 -6.729 0.202 1.00 0.00 H new ATOM 96 N LYS A 10 -6.639 -8.439 0.320 1.00 0.00 N ATOM 97 CA LYS A 10 -8.026 -7.999 0.409 1.00 0.00 C ATOM 98 C LYS A 10 -8.232 -6.690 -0.347 1.00 0.00 C ATOM 99 O LYS A 10 -7.322 -5.866 -0.439 1.00 0.00 O ATOM 100 CB LYS A 10 -8.435 -7.825 1.873 1.00 0.00 C ATOM 101 CG LYS A 10 -9.871 -8.230 2.156 1.00 0.00 C ATOM 102 CD LYS A 10 -10.827 -7.065 1.966 1.00 0.00 C ATOM 103 CE LYS A 10 -12.175 -7.338 2.617 1.00 0.00 C ATOM 104 NZ LYS A 10 -13.271 -6.570 1.964 1.00 0.00 N ATOM 0 H LYS A 10 -6.129 -8.405 1.203 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.653 -8.764 -0.048 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.769 -8.417 2.500 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.298 -6.782 2.158 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.156 -9.048 1.494 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.950 -8.604 3.177 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.391 -6.162 2.394 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -10.967 -6.878 0.901 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -12.396 -8.404 2.562 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.128 -7.076 3.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -14.173 -6.783 2.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.073 -5.552 2.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -13.333 -6.838 0.961 1.00 0.00 H new ATOM 118 N VAL A 11 -9.433 -6.505 -0.884 1.00 0.00 N ATOM 119 CA VAL A 11 -9.758 -5.294 -1.630 1.00 0.00 C ATOM 120 C VAL A 11 -10.801 -4.460 -0.894 1.00 0.00 C ATOM 121 O VAL A 11 -11.993 -4.767 -0.925 1.00 0.00 O ATOM 122 CB VAL A 11 -10.284 -5.627 -3.038 1.00 0.00 C ATOM 123 CG1 VAL A 11 -10.648 -4.354 -3.787 1.00 0.00 C ATOM 124 CG2 VAL A 11 -9.255 -6.436 -3.813 1.00 0.00 C ATOM 0 H VAL A 11 -10.197 -7.177 -0.817 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.836 -4.720 -1.721 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.186 -6.231 -2.937 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.018 -4.609 -4.780 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -11.422 -3.818 -3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.765 -3.722 -3.880 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -9.643 -6.663 -4.806 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -8.334 -5.860 -3.906 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.049 -7.366 -3.283 1.00 0.00 H new ATOM 134 N LEU A 12 -10.344 -3.402 -0.232 1.00 0.00 N ATOM 135 CA LEU A 12 -11.237 -2.521 0.512 1.00 0.00 C ATOM 136 C LEU A 12 -11.901 -1.508 -0.416 1.00 0.00 C ATOM 137 O LEU A 12 -11.309 -1.076 -1.404 1.00 0.00 O ATOM 138 CB LEU A 12 -10.465 -1.792 1.613 1.00 0.00 C ATOM 139 CG LEU A 12 -9.422 -2.621 2.364 1.00 0.00 C ATOM 140 CD1 LEU A 12 -8.347 -1.720 2.952 1.00 0.00 C ATOM 141 CD2 LEU A 12 -10.084 -3.449 3.456 1.00 0.00 C ATOM 0 H LEU A 12 -9.361 -3.134 -0.196 1.00 0.00 H new ATOM 0 HA LEU A 12 -12.015 -3.133 0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.965 -0.931 1.169 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -11.182 -1.405 2.337 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.949 -3.302 1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.614 -2.327 3.483 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.852 -1.172 2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -8.803 -1.014 3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.327 -4.032 3.980 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.584 -2.786 4.162 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.816 -4.122 3.009 1.00 0.00 H new ATOM 153 N VAL A 13 -13.133 -1.133 -0.088 1.00 0.00 N ATOM 154 CA VAL A 13 -13.876 -0.168 -0.890 1.00 0.00 C ATOM 155 C VAL A 13 -14.398 0.977 -0.029 1.00 0.00 C ATOM 156 O VAL A 13 -14.475 0.863 1.193 1.00 0.00 O ATOM 157 CB VAL A 13 -15.063 -0.834 -1.613 1.00 0.00 C ATOM 158 CG1 VAL A 13 -14.568 -1.732 -2.737 1.00 0.00 C ATOM 159 CG2 VAL A 13 -15.913 -1.620 -0.626 1.00 0.00 C ATOM 0 H VAL A 13 -13.638 -1.482 0.727 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.182 0.226 -1.633 1.00 0.00 H new ATOM 0 HB VAL A 13 -15.684 -0.053 -2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.420 -2.194 -3.236 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.005 -1.138 -3.456 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.924 -2.509 -2.325 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.747 -2.084 -1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -15.305 -2.393 -0.157 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.297 -0.947 0.140 1.00 0.00 H new ATOM 169 N GLY A 14 -14.755 2.082 -0.676 1.00 0.00 N ATOM 170 CA GLY A 14 -15.265 3.233 0.046 1.00 0.00 C ATOM 171 C GLY A 14 -16.580 2.943 0.743 1.00 0.00 C ATOM 172 O GLY A 14 -17.077 3.764 1.514 1.00 0.00 O ATOM 0 H GLY A 14 -14.700 2.201 -1.688 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -14.528 3.551 0.784 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.400 4.063 -0.648 1.00 0.00 H new ATOM 176 N LYS A 15 -17.147 1.773 0.470 1.00 0.00 N ATOM 177 CA LYS A 15 -18.413 1.376 1.076 1.00 0.00 C ATOM 178 C LYS A 15 -18.180 0.636 2.389 1.00 0.00 C ATOM 179 O LYS A 15 -18.872 0.875 3.378 1.00 0.00 O ATOM 180 CB LYS A 15 -19.207 0.490 0.113 1.00 0.00 C ATOM 181 CG LYS A 15 -20.607 0.162 0.602 1.00 0.00 C ATOM 182 CD LYS A 15 -21.340 -0.745 -0.372 1.00 0.00 C ATOM 183 CE LYS A 15 -21.782 0.013 -1.614 1.00 0.00 C ATOM 184 NZ LYS A 15 -22.687 -0.804 -2.470 1.00 0.00 N ATOM 0 H LYS A 15 -16.750 1.083 -0.167 1.00 0.00 H new ATOM 0 HA LYS A 15 -18.986 2.279 1.286 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -19.277 0.989 -0.853 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.660 -0.439 -0.047 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -20.549 -0.321 1.577 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -21.172 1.085 0.737 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -20.690 -1.571 -0.661 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -22.210 -1.180 0.119 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -22.292 0.930 -1.318 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -20.905 0.308 -2.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -22.966 -0.252 -3.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -22.192 -1.667 -2.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -23.536 -1.064 -1.928 1.00 0.00 H new ATOM 198 N ASN A 16 -17.199 -0.261 2.392 1.00 0.00 N ATOM 199 CA ASN A 16 -16.874 -1.034 3.585 1.00 0.00 C ATOM 200 C ASN A 16 -15.377 -0.988 3.872 1.00 0.00 C ATOM 201 O ASN A 16 -14.784 -1.980 4.296 1.00 0.00 O ATOM 202 CB ASN A 16 -17.328 -2.486 3.415 1.00 0.00 C ATOM 203 CG ASN A 16 -16.491 -3.238 2.399 1.00 0.00 C ATOM 204 OD1 ASN A 16 -16.795 -3.238 1.206 1.00 0.00 O ATOM 205 ND2 ASN A 16 -15.430 -3.885 2.868 1.00 0.00 N ATOM 0 H ASN A 16 -16.616 -0.470 1.582 1.00 0.00 H new ATOM 0 HA ASN A 16 -17.401 -0.591 4.430 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -17.272 -2.996 4.377 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -18.373 -2.503 3.105 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -14.830 -4.409 2.231 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -15.216 -3.858 3.865 1.00 0.00 H new ATOM 212 N PHE A 17 -14.771 0.172 3.639 1.00 0.00 N ATOM 213 CA PHE A 17 -13.343 0.349 3.872 1.00 0.00 C ATOM 214 C PHE A 17 -13.028 0.320 5.365 1.00 0.00 C ATOM 215 O PHE A 17 -12.322 -0.566 5.844 1.00 0.00 O ATOM 216 CB PHE A 17 -12.864 1.668 3.264 1.00 0.00 C ATOM 217 CG PHE A 17 -11.674 2.256 3.967 1.00 0.00 C ATOM 218 CD1 PHE A 17 -10.441 1.625 3.915 1.00 0.00 C ATOM 219 CD2 PHE A 17 -11.787 3.440 4.678 1.00 0.00 C ATOM 220 CE1 PHE A 17 -9.345 2.163 4.562 1.00 0.00 C ATOM 221 CE2 PHE A 17 -10.694 3.983 5.326 1.00 0.00 C ATOM 222 CZ PHE A 17 -9.471 3.344 5.267 1.00 0.00 C ATOM 0 H PHE A 17 -15.247 1.003 3.289 1.00 0.00 H new ATOM 0 HA PHE A 17 -12.817 -0.476 3.391 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -12.613 1.505 2.216 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -13.682 2.388 3.288 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.336 0.703 3.363 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -12.741 3.944 4.726 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.390 1.660 4.516 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -10.796 4.906 5.878 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.615 3.767 5.771 1.00 0.00 H new ATOM 232 N GLU A 18 -13.557 1.298 6.094 1.00 0.00 N ATOM 233 CA GLU A 18 -13.331 1.386 7.532 1.00 0.00 C ATOM 234 C GLU A 18 -13.887 0.156 8.246 1.00 0.00 C ATOM 235 O GLU A 18 -13.513 -0.136 9.382 1.00 0.00 O ATOM 236 CB GLU A 18 -13.978 2.652 8.096 1.00 0.00 C ATOM 237 CG GLU A 18 -13.214 3.924 7.768 1.00 0.00 C ATOM 238 CD GLU A 18 -13.950 5.176 8.206 1.00 0.00 C ATOM 239 OE1 GLU A 18 -14.054 5.406 9.429 1.00 0.00 O ATOM 240 OE2 GLU A 18 -14.420 5.926 7.325 1.00 0.00 O ATOM 0 H GLU A 18 -14.144 2.040 5.713 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.255 1.430 7.703 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.992 2.736 7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -14.060 2.556 9.179 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -12.238 3.892 8.253 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -13.035 3.969 6.694 1.00 0.00 H new ATOM 247 N ASP A 19 -14.781 -0.558 7.572 1.00 0.00 N ATOM 248 CA ASP A 19 -15.388 -1.756 8.141 1.00 0.00 C ATOM 249 C ASP A 19 -14.356 -2.869 8.292 1.00 0.00 C ATOM 250 O ASP A 19 -14.342 -3.586 9.293 1.00 0.00 O ATOM 251 CB ASP A 19 -16.546 -2.233 7.262 1.00 0.00 C ATOM 252 CG ASP A 19 -17.865 -1.590 7.644 1.00 0.00 C ATOM 253 OD1 ASP A 19 -17.916 -0.346 7.728 1.00 0.00 O ATOM 254 OD2 ASP A 19 -18.846 -2.332 7.859 1.00 0.00 O ATOM 0 H ASP A 19 -15.102 -0.329 6.631 1.00 0.00 H new ATOM 0 HA ASP A 19 -15.772 -1.505 9.130 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -16.324 -2.007 6.219 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -16.637 -3.316 7.342 1.00 0.00 H new ATOM 259 N VAL A 20 -13.493 -3.009 7.291 1.00 0.00 N ATOM 260 CA VAL A 20 -12.457 -4.034 7.312 1.00 0.00 C ATOM 261 C VAL A 20 -11.137 -3.472 7.826 1.00 0.00 C ATOM 262 O VAL A 20 -10.461 -4.095 8.645 1.00 0.00 O ATOM 263 CB VAL A 20 -12.235 -4.637 5.912 1.00 0.00 C ATOM 264 CG1 VAL A 20 -11.281 -5.820 5.985 1.00 0.00 C ATOM 265 CG2 VAL A 20 -13.562 -5.049 5.293 1.00 0.00 C ATOM 0 H VAL A 20 -13.491 -2.425 6.455 1.00 0.00 H new ATOM 0 HA VAL A 20 -12.802 -4.818 7.987 1.00 0.00 H new ATOM 0 HB VAL A 20 -11.784 -3.876 5.275 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -11.136 -6.233 4.987 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.322 -5.490 6.384 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.701 -6.586 6.637 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -13.386 -5.473 4.304 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -14.043 -5.794 5.927 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -14.208 -4.176 5.204 1.00 0.00 H new ATOM 275 N ALA A 21 -10.775 -2.289 7.340 1.00 0.00 N ATOM 276 CA ALA A 21 -9.536 -1.640 7.753 1.00 0.00 C ATOM 277 C ALA A 21 -9.451 -1.535 9.272 1.00 0.00 C ATOM 278 O ALA A 21 -8.567 -2.121 9.896 1.00 0.00 O ATOM 279 CB ALA A 21 -9.427 -0.261 7.119 1.00 0.00 C ATOM 0 H ALA A 21 -11.322 -1.761 6.660 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.702 -2.252 7.411 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.498 0.213 7.436 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.433 -0.358 6.033 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.272 0.352 7.433 1.00 0.00 H new ATOM 285 N PHE A 22 -10.375 -0.783 9.861 1.00 0.00 N ATOM 286 CA PHE A 22 -10.403 -0.600 11.307 1.00 0.00 C ATOM 287 C PHE A 22 -10.974 -1.834 12.001 1.00 0.00 C ATOM 288 O PHE A 22 -12.190 -1.996 12.102 1.00 0.00 O ATOM 289 CB PHE A 22 -11.234 0.633 11.670 1.00 0.00 C ATOM 290 CG PHE A 22 -10.597 1.928 11.254 1.00 0.00 C ATOM 291 CD1 PHE A 22 -9.247 2.152 11.468 1.00 0.00 C ATOM 292 CD2 PHE A 22 -11.349 2.922 10.649 1.00 0.00 C ATOM 293 CE1 PHE A 22 -8.659 3.343 11.087 1.00 0.00 C ATOM 294 CE2 PHE A 22 -10.767 4.115 10.265 1.00 0.00 C ATOM 295 CZ PHE A 22 -9.420 4.326 10.484 1.00 0.00 C ATOM 0 H PHE A 22 -11.114 -0.291 9.359 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.379 -0.454 11.649 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -12.214 0.552 11.200 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.397 0.647 12.748 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.647 1.387 11.938 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -12.403 2.762 10.475 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -7.605 3.505 11.260 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -11.365 4.881 9.794 1.00 0.00 H new ATOM 0 HZ PHE A 22 -8.962 5.257 10.185 1.00 0.00 H new ATOM 305 N ASP A 23 -10.086 -2.700 12.477 1.00 0.00 N ATOM 306 CA ASP A 23 -10.500 -3.920 13.162 1.00 0.00 C ATOM 307 C ASP A 23 -9.628 -4.177 14.386 1.00 0.00 C ATOM 308 O ASP A 23 -8.428 -4.424 14.264 1.00 0.00 O ATOM 309 CB ASP A 23 -10.430 -5.114 12.209 1.00 0.00 C ATOM 310 CG ASP A 23 -9.185 -5.092 11.344 1.00 0.00 C ATOM 311 OD1 ASP A 23 -8.170 -4.510 11.781 1.00 0.00 O ATOM 312 OD2 ASP A 23 -9.225 -5.656 10.230 1.00 0.00 O ATOM 0 H ASP A 23 -9.076 -2.580 12.401 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.530 -3.791 13.493 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.451 -6.038 12.787 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.313 -5.117 11.570 1.00 0.00 H new ATOM 317 N GLU A 24 -10.239 -4.118 15.565 1.00 0.00 N ATOM 318 CA GLU A 24 -9.517 -4.343 16.812 1.00 0.00 C ATOM 319 C GLU A 24 -8.881 -5.731 16.829 1.00 0.00 C ATOM 320 O GLU A 24 -9.424 -6.682 16.267 1.00 0.00 O ATOM 321 CB GLU A 24 -10.457 -4.186 18.008 1.00 0.00 C ATOM 322 CG GLU A 24 -9.875 -4.704 19.312 1.00 0.00 C ATOM 323 CD GLU A 24 -10.545 -4.100 20.531 1.00 0.00 C ATOM 324 OE1 GLU A 24 -10.868 -2.894 20.493 1.00 0.00 O ATOM 325 OE2 GLU A 24 -10.746 -4.832 21.522 1.00 0.00 O ATOM 0 H GLU A 24 -11.232 -3.916 15.683 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.725 -3.598 16.883 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.709 -3.132 18.126 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.387 -4.714 17.800 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.978 -5.789 19.346 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.808 -4.484 19.342 1.00 0.00 H new ATOM 332 N LYS A 25 -7.727 -5.839 17.478 1.00 0.00 N ATOM 333 CA LYS A 25 -7.016 -7.108 17.571 1.00 0.00 C ATOM 334 C LYS A 25 -6.655 -7.632 16.185 1.00 0.00 C ATOM 335 O LYS A 25 -6.579 -8.841 15.967 1.00 0.00 O ATOM 336 CB LYS A 25 -7.870 -8.141 18.311 1.00 0.00 C ATOM 337 CG LYS A 25 -7.905 -7.934 19.816 1.00 0.00 C ATOM 338 CD LYS A 25 -6.602 -8.365 20.469 1.00 0.00 C ATOM 339 CE LYS A 25 -6.634 -9.835 20.860 1.00 0.00 C ATOM 340 NZ LYS A 25 -6.483 -10.727 19.677 1.00 0.00 N ATOM 0 H LYS A 25 -7.264 -5.061 17.948 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.095 -6.940 18.128 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.888 -8.103 17.924 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.485 -9.138 18.098 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.093 -6.883 20.035 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.732 -8.501 20.243 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.774 -8.188 19.783 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.418 -7.756 21.354 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.835 -10.039 21.573 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.575 -10.056 21.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.093 -11.642 19.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.412 -10.876 19.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.839 -10.286 18.990 1.00 0.00 H new ATOM 354 N LYS A 26 -6.431 -6.714 15.251 1.00 0.00 N ATOM 355 CA LYS A 26 -6.074 -7.082 13.886 1.00 0.00 C ATOM 356 C LYS A 26 -5.274 -5.971 13.214 1.00 0.00 C ATOM 357 O LYS A 26 -5.769 -4.860 13.032 1.00 0.00 O ATOM 358 CB LYS A 26 -7.334 -7.382 13.070 1.00 0.00 C ATOM 359 CG LYS A 26 -7.079 -7.499 11.578 1.00 0.00 C ATOM 360 CD LYS A 26 -6.586 -8.887 11.203 1.00 0.00 C ATOM 361 CE LYS A 26 -7.695 -9.922 11.316 1.00 0.00 C ATOM 362 NZ LYS A 26 -8.877 -9.561 10.485 1.00 0.00 N ATOM 0 H LYS A 26 -6.490 -5.709 15.415 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.454 -7.978 13.929 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.776 -8.312 13.428 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.066 -6.593 13.244 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.997 -7.278 11.033 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.342 -6.756 11.275 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.201 -8.874 10.183 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.757 -9.168 11.853 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.316 -10.896 11.005 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.999 -10.016 12.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.348 -10.428 10.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.542 -8.999 11.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.567 -9.003 9.664 1.00 0.00 H new ATOM 376 N ASN A 27 -4.035 -6.280 12.846 1.00 0.00 N ATOM 377 CA ASN A 27 -3.166 -5.307 12.193 1.00 0.00 C ATOM 378 C ASN A 27 -3.329 -5.364 10.677 1.00 0.00 C ATOM 379 O ASN A 27 -2.720 -6.198 10.007 1.00 0.00 O ATOM 380 CB ASN A 27 -1.705 -5.562 12.570 1.00 0.00 C ATOM 381 CG ASN A 27 -1.500 -5.633 14.071 1.00 0.00 C ATOM 382 OD1 ASN A 27 -1.261 -4.617 14.724 1.00 0.00 O ATOM 383 ND2 ASN A 27 -1.591 -6.836 14.625 1.00 0.00 N ATOM 0 H ASN A 27 -3.610 -7.196 12.989 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.454 -4.313 12.535 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -1.373 -6.496 12.116 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.082 -4.768 12.158 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.461 -6.945 15.631 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -1.791 -7.651 14.045 1.00 0.00 H new ATOM 390 N VAL A 28 -4.154 -4.469 10.142 1.00 0.00 N ATOM 391 CA VAL A 28 -4.396 -4.415 8.705 1.00 0.00 C ATOM 392 C VAL A 28 -3.534 -3.347 8.042 1.00 0.00 C ATOM 393 O VAL A 28 -3.437 -2.221 8.532 1.00 0.00 O ATOM 394 CB VAL A 28 -5.878 -4.129 8.396 1.00 0.00 C ATOM 395 CG1 VAL A 28 -6.116 -4.112 6.894 1.00 0.00 C ATOM 396 CG2 VAL A 28 -6.771 -5.157 9.074 1.00 0.00 C ATOM 0 H VAL A 28 -4.666 -3.772 10.682 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.131 -5.393 8.302 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.131 -3.145 8.791 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.168 -3.909 6.695 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.503 -3.335 6.437 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -5.847 -5.080 6.472 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.814 -4.940 8.845 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.520 -6.153 8.711 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.620 -5.115 10.153 1.00 0.00 H new ATOM 406 N PHE A 29 -2.911 -3.706 6.925 1.00 0.00 N ATOM 407 CA PHE A 29 -2.056 -2.778 6.194 1.00 0.00 C ATOM 408 C PHE A 29 -2.682 -2.402 4.855 1.00 0.00 C ATOM 409 O PHE A 29 -2.602 -3.155 3.885 1.00 0.00 O ATOM 410 CB PHE A 29 -0.674 -3.395 5.968 1.00 0.00 C ATOM 411 CG PHE A 29 0.312 -2.446 5.351 1.00 0.00 C ATOM 412 CD1 PHE A 29 0.056 -1.084 5.317 1.00 0.00 C ATOM 413 CD2 PHE A 29 1.496 -2.914 4.804 1.00 0.00 C ATOM 414 CE1 PHE A 29 0.961 -0.208 4.749 1.00 0.00 C ATOM 415 CE2 PHE A 29 2.406 -2.042 4.235 1.00 0.00 C ATOM 416 CZ PHE A 29 2.137 -0.688 4.207 1.00 0.00 C ATOM 0 H PHE A 29 -2.982 -4.633 6.506 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.949 -1.873 6.792 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.281 -3.745 6.922 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.776 -4.269 5.325 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.862 -0.703 5.740 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.711 -3.972 4.822 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.749 0.851 4.729 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.326 -2.419 3.813 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.845 -0.005 3.762 1.00 0.00 H new ATOM 426 N VAL A 30 -3.308 -1.229 4.810 1.00 0.00 N ATOM 427 CA VAL A 30 -3.948 -0.751 3.591 1.00 0.00 C ATOM 428 C VAL A 30 -2.936 -0.089 2.662 1.00 0.00 C ATOM 429 O VAL A 30 -1.895 0.394 3.106 1.00 0.00 O ATOM 430 CB VAL A 30 -5.073 0.253 3.904 1.00 0.00 C ATOM 431 CG1 VAL A 30 -5.854 0.592 2.643 1.00 0.00 C ATOM 432 CG2 VAL A 30 -5.996 -0.301 4.980 1.00 0.00 C ATOM 0 H VAL A 30 -3.385 -0.593 5.604 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.376 -1.623 3.096 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.622 1.171 4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.644 1.303 2.885 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.182 1.033 1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.296 -0.316 2.233 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.785 0.421 5.189 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.440 -1.234 4.633 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.424 -0.487 5.889 1.00 0.00 H new ATOM 442 N GLU A 31 -3.250 -0.071 1.370 1.00 0.00 N ATOM 443 CA GLU A 31 -2.367 0.531 0.378 1.00 0.00 C ATOM 444 C GLU A 31 -3.160 1.382 -0.611 1.00 0.00 C ATOM 445 O GLU A 31 -3.837 0.856 -1.494 1.00 0.00 O ATOM 446 CB GLU A 31 -1.591 -0.553 -0.372 1.00 0.00 C ATOM 447 CG GLU A 31 -1.015 -0.082 -1.697 1.00 0.00 C ATOM 448 CD GLU A 31 -0.533 -1.230 -2.563 1.00 0.00 C ATOM 449 OE1 GLU A 31 -1.385 -1.914 -3.168 1.00 0.00 O ATOM 450 OE2 GLU A 31 0.695 -1.443 -2.637 1.00 0.00 O ATOM 0 H GLU A 31 -4.109 -0.466 0.986 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.661 1.176 0.901 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.779 -0.911 0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.251 -1.401 -0.553 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.773 0.483 -2.238 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.185 0.599 -1.507 1.00 0.00 H new ATOM 457 N PHE A 32 -3.070 2.698 -0.454 1.00 0.00 N ATOM 458 CA PHE A 32 -3.780 3.622 -1.332 1.00 0.00 C ATOM 459 C PHE A 32 -3.013 3.833 -2.634 1.00 0.00 C ATOM 460 O PHE A 32 -2.059 4.609 -2.687 1.00 0.00 O ATOM 461 CB PHE A 32 -3.992 4.965 -0.629 1.00 0.00 C ATOM 462 CG PHE A 32 -4.849 4.868 0.601 1.00 0.00 C ATOM 463 CD1 PHE A 32 -6.231 4.891 0.502 1.00 0.00 C ATOM 464 CD2 PHE A 32 -4.272 4.756 1.856 1.00 0.00 C ATOM 465 CE1 PHE A 32 -7.022 4.803 1.632 1.00 0.00 C ATOM 466 CE2 PHE A 32 -5.058 4.666 2.989 1.00 0.00 C ATOM 467 CZ PHE A 32 -6.435 4.691 2.877 1.00 0.00 C ATOM 0 H PHE A 32 -2.513 3.149 0.272 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.750 3.186 -1.569 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.022 5.380 -0.355 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.451 5.664 -1.328 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.695 4.979 -0.469 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.196 4.739 1.950 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.098 4.822 1.541 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.596 4.576 3.961 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.051 4.623 3.761 1.00 0.00 H new ATOM 477 N TYR A 33 -3.436 3.135 -3.682 1.00 0.00 N ATOM 478 CA TYR A 33 -2.788 3.242 -4.984 1.00 0.00 C ATOM 479 C TYR A 33 -3.660 4.021 -5.964 1.00 0.00 C ATOM 480 O TYR A 33 -4.811 4.342 -5.669 1.00 0.00 O ATOM 481 CB TYR A 33 -2.489 1.851 -5.545 1.00 0.00 C ATOM 482 CG TYR A 33 -3.729 1.068 -5.914 1.00 0.00 C ATOM 483 CD1 TYR A 33 -4.417 1.332 -7.091 1.00 0.00 C ATOM 484 CD2 TYR A 33 -4.211 0.062 -5.084 1.00 0.00 C ATOM 485 CE1 TYR A 33 -5.550 0.619 -7.432 1.00 0.00 C ATOM 486 CE2 TYR A 33 -5.343 -0.656 -5.418 1.00 0.00 C ATOM 487 CZ TYR A 33 -6.009 -0.374 -6.592 1.00 0.00 C ATOM 488 OH TYR A 33 -7.137 -1.087 -6.928 1.00 0.00 O ATOM 0 H TYR A 33 -4.225 2.489 -3.655 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.850 3.782 -4.851 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.857 1.952 -6.428 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.919 1.286 -4.808 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.060 2.108 -7.751 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.692 -0.162 -4.164 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -6.073 0.838 -8.351 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.705 -1.435 -4.763 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.325 -1.750 -6.231 1.00 0.00 H new ATOM 498 N ALA A 34 -3.103 4.321 -7.132 1.00 0.00 N ATOM 499 CA ALA A 34 -3.829 5.060 -8.158 1.00 0.00 C ATOM 500 C ALA A 34 -3.782 4.331 -9.497 1.00 0.00 C ATOM 501 O ALA A 34 -2.739 3.834 -9.924 1.00 0.00 O ATOM 502 CB ALA A 34 -3.260 6.464 -8.299 1.00 0.00 C ATOM 0 H ALA A 34 -2.151 4.064 -7.392 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.872 5.132 -7.850 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.811 7.004 -9.068 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.352 6.991 -7.349 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.209 6.404 -8.581 1.00 0.00 H new ATOM 508 N PRO A 35 -4.936 4.264 -10.176 1.00 0.00 N ATOM 509 CA PRO A 35 -5.052 3.597 -11.476 1.00 0.00 C ATOM 510 C PRO A 35 -4.331 4.358 -12.584 1.00 0.00 C ATOM 511 O PRO A 35 -4.258 3.893 -13.722 1.00 0.00 O ATOM 512 CB PRO A 35 -6.561 3.581 -11.733 1.00 0.00 C ATOM 513 CG PRO A 35 -7.092 4.729 -10.946 1.00 0.00 C ATOM 514 CD PRO A 35 -6.217 4.834 -9.727 1.00 0.00 C ATOM 0 HA PRO A 35 -4.597 2.607 -11.468 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -6.783 3.692 -12.794 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.007 2.640 -11.411 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.061 5.649 -11.529 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.132 4.563 -10.667 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.104 5.868 -9.401 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.631 4.278 -8.886 1.00 0.00 H new ATOM 522 N TRP A 36 -3.800 5.526 -12.244 1.00 0.00 N ATOM 523 CA TRP A 36 -3.084 6.351 -13.211 1.00 0.00 C ATOM 524 C TRP A 36 -1.660 6.626 -12.742 1.00 0.00 C ATOM 525 O TRP A 36 -0.821 7.089 -13.516 1.00 0.00 O ATOM 526 CB TRP A 36 -3.825 7.671 -13.434 1.00 0.00 C ATOM 527 CG TRP A 36 -4.593 8.132 -12.232 1.00 0.00 C ATOM 528 CD1 TRP A 36 -5.910 7.896 -11.962 1.00 0.00 C ATOM 529 CD2 TRP A 36 -4.090 8.909 -11.140 1.00 0.00 C ATOM 530 NE1 TRP A 36 -6.257 8.480 -10.767 1.00 0.00 N ATOM 531 CE2 TRP A 36 -5.157 9.106 -10.243 1.00 0.00 C ATOM 532 CE3 TRP A 36 -2.841 9.455 -10.831 1.00 0.00 C ATOM 533 CZ2 TRP A 36 -5.012 9.828 -9.061 1.00 0.00 C ATOM 534 CZ3 TRP A 36 -2.698 10.171 -9.658 1.00 0.00 C ATOM 535 CH2 TRP A 36 -3.779 10.351 -8.784 1.00 0.00 C ATOM 0 H TRP A 36 -3.851 5.924 -11.306 1.00 0.00 H new ATOM 0 HA TRP A 36 -3.037 5.805 -14.153 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.105 8.441 -13.713 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.511 7.557 -14.273 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.581 7.333 -12.594 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.183 8.452 -10.340 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.002 9.320 -11.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.844 9.970 -8.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.738 10.599 -9.411 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.635 10.914 -7.874 1.00 0.00 H new ATOM 546 N CYS A 37 -1.393 6.338 -11.473 1.00 0.00 N ATOM 547 CA CYS A 37 -0.069 6.556 -10.902 1.00 0.00 C ATOM 548 C CYS A 37 0.916 5.501 -11.396 1.00 0.00 C ATOM 549 O CYS A 37 0.777 4.317 -11.092 1.00 0.00 O ATOM 550 CB CYS A 37 -0.139 6.531 -9.375 1.00 0.00 C ATOM 551 SG CYS A 37 1.475 6.586 -8.560 1.00 0.00 S ATOM 0 H CYS A 37 -2.076 5.953 -10.820 1.00 0.00 H new ATOM 0 HA CYS A 37 0.283 7.535 -11.226 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.734 7.379 -9.035 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.662 5.628 -9.061 1.00 0.00 H new ATOM 0 HG CYS A 37 1.544 7.641 -7.804 1.00 0.00 H new ATOM 557 N GLY A 38 1.911 5.939 -12.161 1.00 0.00 N ATOM 558 CA GLY A 38 2.904 5.019 -12.686 1.00 0.00 C ATOM 559 C GLY A 38 3.594 4.226 -11.594 1.00 0.00 C ATOM 560 O GLY A 38 3.854 3.033 -11.753 1.00 0.00 O ATOM 0 H GLY A 38 2.048 6.914 -12.427 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.425 4.331 -13.383 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.650 5.578 -13.251 1.00 0.00 H new ATOM 564 N HIS A 39 3.894 4.890 -10.482 1.00 0.00 N ATOM 565 CA HIS A 39 4.561 4.239 -9.360 1.00 0.00 C ATOM 566 C HIS A 39 3.755 3.039 -8.871 1.00 0.00 C ATOM 567 O HIS A 39 4.321 2.030 -8.450 1.00 0.00 O ATOM 568 CB HIS A 39 4.764 5.232 -8.215 1.00 0.00 C ATOM 569 CG HIS A 39 6.064 5.972 -8.287 1.00 0.00 C ATOM 570 ND1 HIS A 39 6.802 6.308 -7.172 1.00 0.00 N ATOM 571 CD2 HIS A 39 6.759 6.439 -9.351 1.00 0.00 C ATOM 572 CE1 HIS A 39 7.893 6.952 -7.546 1.00 0.00 C ATOM 573 NE2 HIS A 39 7.892 7.044 -8.864 1.00 0.00 N ATOM 0 H HIS A 39 3.686 5.878 -10.334 1.00 0.00 H new ATOM 0 HA HIS A 39 5.534 3.886 -9.702 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.945 5.951 -8.220 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.712 4.696 -7.267 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.475 6.352 -10.389 1.00 0.00 H new ATOM 0 HE1 HIS A 39 8.656 7.338 -6.886 1.00 0.00 H new ATOM 0 HE2 HIS A 39 8.615 7.491 -9.428 1.00 0.00 H new ATOM 582 N CYS A 40 2.433 3.157 -8.930 1.00 0.00 N ATOM 583 CA CYS A 40 1.550 2.082 -8.492 1.00 0.00 C ATOM 584 C CYS A 40 1.739 0.838 -9.353 1.00 0.00 C ATOM 585 O CYS A 40 1.864 -0.274 -8.838 1.00 0.00 O ATOM 586 CB CYS A 40 0.091 2.539 -8.547 1.00 0.00 C ATOM 587 SG CYS A 40 -1.094 1.194 -8.786 1.00 0.00 S ATOM 0 H CYS A 40 1.949 3.986 -9.277 1.00 0.00 H new ATOM 0 HA CYS A 40 1.806 1.831 -7.463 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.150 3.062 -7.621 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.023 3.258 -9.358 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.186 1.666 -9.310 1.00 0.00 H new ATOM 593 N LYS A 41 1.757 1.031 -10.667 1.00 0.00 N ATOM 594 CA LYS A 41 1.930 -0.074 -11.602 1.00 0.00 C ATOM 595 C LYS A 41 3.046 -1.006 -11.140 1.00 0.00 C ATOM 596 O LYS A 41 3.038 -2.198 -11.449 1.00 0.00 O ATOM 597 CB LYS A 41 2.242 0.458 -13.002 1.00 0.00 C ATOM 598 CG LYS A 41 1.018 0.956 -13.750 1.00 0.00 C ATOM 599 CD LYS A 41 0.854 2.460 -13.613 1.00 0.00 C ATOM 600 CE LYS A 41 -0.603 2.877 -13.746 1.00 0.00 C ATOM 601 NZ LYS A 41 -1.061 2.849 -15.163 1.00 0.00 N ATOM 0 H LYS A 41 1.654 1.944 -11.109 1.00 0.00 H new ATOM 0 HA LYS A 41 0.998 -0.639 -11.635 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.963 1.271 -12.920 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.717 -0.332 -13.584 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.103 0.693 -14.804 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.128 0.456 -13.367 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.239 2.782 -12.645 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.448 2.963 -14.376 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -1.227 2.212 -13.149 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.732 3.881 -13.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.058 3.139 -15.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.482 3.503 -15.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.962 1.885 -15.541 1.00 0.00 H new ATOM 615 N GLN A 42 4.003 -0.456 -10.400 1.00 0.00 N ATOM 616 CA GLN A 42 5.124 -1.240 -9.896 1.00 0.00 C ATOM 617 C GLN A 42 4.798 -1.846 -8.535 1.00 0.00 C ATOM 618 O GLN A 42 5.326 -2.897 -8.169 1.00 0.00 O ATOM 619 CB GLN A 42 6.377 -0.368 -9.792 1.00 0.00 C ATOM 620 CG GLN A 42 6.905 0.101 -11.137 1.00 0.00 C ATOM 621 CD GLN A 42 7.879 -0.882 -11.757 1.00 0.00 C ATOM 622 OE1 GLN A 42 8.191 -1.918 -11.169 1.00 0.00 O ATOM 623 NE2 GLN A 42 8.366 -0.561 -12.950 1.00 0.00 N ATOM 0 H GLN A 42 4.025 0.529 -10.136 1.00 0.00 H new ATOM 0 HA GLN A 42 5.311 -2.052 -10.599 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.153 0.503 -9.175 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.159 -0.929 -9.280 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.068 0.255 -11.818 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.397 1.066 -11.013 1.00 0.00 H new ATOM 0 HE21 GLN A 42 8.080 0.308 -13.401 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.026 -1.184 -13.416 1.00 0.00 H new ATOM 632 N LEU A 43 3.925 -1.177 -7.790 1.00 0.00 N ATOM 633 CA LEU A 43 3.527 -1.650 -6.468 1.00 0.00 C ATOM 634 C LEU A 43 2.494 -2.767 -6.577 1.00 0.00 C ATOM 635 O LEU A 43 2.382 -3.611 -5.688 1.00 0.00 O ATOM 636 CB LEU A 43 2.960 -0.495 -5.641 1.00 0.00 C ATOM 637 CG LEU A 43 3.015 -0.666 -4.123 1.00 0.00 C ATOM 638 CD1 LEU A 43 4.457 -0.740 -3.646 1.00 0.00 C ATOM 639 CD2 LEU A 43 2.281 0.473 -3.431 1.00 0.00 C ATOM 0 H LEU A 43 3.479 -0.306 -8.078 1.00 0.00 H new ATOM 0 HA LEU A 43 4.412 -2.046 -5.970 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.501 0.414 -5.904 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.921 -0.342 -5.932 1.00 0.00 H new ATOM 0 HG LEU A 43 2.520 -1.602 -3.864 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.476 -0.862 -2.563 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.952 -1.590 -4.115 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.978 0.178 -3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 43 2.330 0.335 -2.351 1.00 0.00 H new ATOM 0 HD22 LEU A 43 2.748 1.421 -3.697 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.238 0.480 -3.748 1.00 0.00 H new ATOM 651 N ALA A 44 1.744 -2.767 -7.674 1.00 0.00 N ATOM 652 CA ALA A 44 0.724 -3.783 -7.901 1.00 0.00 C ATOM 653 C ALA A 44 1.238 -5.170 -7.530 1.00 0.00 C ATOM 654 O ALA A 44 0.642 -5.883 -6.721 1.00 0.00 O ATOM 655 CB ALA A 44 0.269 -3.759 -9.353 1.00 0.00 C ATOM 0 H ALA A 44 1.824 -2.075 -8.419 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.128 -3.556 -7.260 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.493 -4.523 -9.508 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.147 -2.779 -9.588 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.120 -3.958 -10.004 1.00 0.00 H new ATOM 661 N PRO A 45 2.369 -5.564 -8.133 1.00 0.00 N ATOM 662 CA PRO A 45 2.988 -6.869 -7.880 1.00 0.00 C ATOM 663 C PRO A 45 3.584 -6.967 -6.480 1.00 0.00 C ATOM 664 O PRO A 45 3.314 -7.918 -5.746 1.00 0.00 O ATOM 665 CB PRO A 45 4.091 -6.949 -8.938 1.00 0.00 C ATOM 666 CG PRO A 45 4.419 -5.530 -9.252 1.00 0.00 C ATOM 667 CD PRO A 45 3.132 -4.766 -9.107 1.00 0.00 C ATOM 0 HA PRO A 45 2.264 -7.682 -7.937 1.00 0.00 H new ATOM 0 HB2 PRO A 45 4.963 -7.483 -8.561 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.750 -7.482 -9.826 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.180 -5.146 -8.572 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.817 -5.436 -10.262 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.305 -3.752 -8.748 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.606 -4.682 -10.058 1.00 0.00 H new ATOM 675 N ILE A 46 4.394 -5.978 -6.117 1.00 0.00 N ATOM 676 CA ILE A 46 5.027 -5.953 -4.804 1.00 0.00 C ATOM 677 C ILE A 46 3.987 -6.018 -3.691 1.00 0.00 C ATOM 678 O ILE A 46 4.265 -6.504 -2.595 1.00 0.00 O ATOM 679 CB ILE A 46 5.885 -4.688 -4.617 1.00 0.00 C ATOM 680 CG1 ILE A 46 6.899 -4.559 -5.756 1.00 0.00 C ATOM 681 CG2 ILE A 46 6.594 -4.723 -3.271 1.00 0.00 C ATOM 682 CD1 ILE A 46 7.248 -3.127 -6.095 1.00 0.00 C ATOM 0 H ILE A 46 4.627 -5.184 -6.713 1.00 0.00 H new ATOM 0 HA ILE A 46 5.671 -6.830 -4.747 1.00 0.00 H new ATOM 0 HB ILE A 46 5.230 -3.817 -4.639 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.810 -5.091 -5.483 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.499 -5.047 -6.645 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.196 -3.822 -3.154 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.855 -4.772 -2.472 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.239 -5.600 -3.222 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.971 -3.112 -6.910 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.347 -2.595 -6.400 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.678 -2.640 -5.220 1.00 0.00 H new ATOM 694 N TRP A 47 2.787 -5.526 -3.981 1.00 0.00 N ATOM 695 CA TRP A 47 1.704 -5.530 -3.005 1.00 0.00 C ATOM 696 C TRP A 47 0.924 -6.839 -3.062 1.00 0.00 C ATOM 697 O TRP A 47 0.410 -7.310 -2.047 1.00 0.00 O ATOM 698 CB TRP A 47 0.763 -4.350 -3.253 1.00 0.00 C ATOM 699 CG TRP A 47 -0.145 -4.060 -2.096 1.00 0.00 C ATOM 700 CD1 TRP A 47 -1.502 -4.205 -2.063 1.00 0.00 C ATOM 701 CD2 TRP A 47 0.241 -3.575 -0.805 1.00 0.00 C ATOM 702 NE1 TRP A 47 -1.984 -3.839 -0.829 1.00 0.00 N ATOM 703 CE2 TRP A 47 -0.935 -3.449 -0.039 1.00 0.00 C ATOM 704 CE3 TRP A 47 1.464 -3.236 -0.221 1.00 0.00 C ATOM 705 CZ2 TRP A 47 -0.920 -2.998 1.278 1.00 0.00 C ATOM 706 CZ3 TRP A 47 1.477 -2.789 1.086 1.00 0.00 C ATOM 707 CH2 TRP A 47 0.292 -2.674 1.824 1.00 0.00 C ATOM 0 H TRP A 47 2.540 -5.120 -4.883 1.00 0.00 H new ATOM 0 HA TRP A 47 2.143 -5.434 -2.012 1.00 0.00 H new ATOM 0 HB2 TRP A 47 1.356 -3.462 -3.472 1.00 0.00 H new ATOM 0 HB3 TRP A 47 0.159 -4.556 -4.137 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -2.108 -4.556 -2.886 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -2.964 -3.855 -0.547 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.383 -3.322 -0.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.833 -2.907 1.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.417 -2.524 1.547 1.00 0.00 H new ATOM 0 HH2 TRP A 47 0.336 -2.323 2.844 1.00 0.00 H new ATOM 718 N ASP A 48 0.840 -7.420 -4.253 1.00 0.00 N ATOM 719 CA ASP A 48 0.123 -8.677 -4.441 1.00 0.00 C ATOM 720 C ASP A 48 0.959 -9.857 -3.958 1.00 0.00 C ATOM 721 O ASP A 48 0.434 -10.941 -3.701 1.00 0.00 O ATOM 722 CB ASP A 48 -0.243 -8.864 -5.914 1.00 0.00 C ATOM 723 CG ASP A 48 -1.647 -8.387 -6.228 1.00 0.00 C ATOM 724 OD1 ASP A 48 -2.123 -7.455 -5.547 1.00 0.00 O ATOM 725 OD2 ASP A 48 -2.272 -8.947 -7.153 1.00 0.00 O ATOM 0 H ASP A 48 1.259 -7.042 -5.103 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.792 -8.637 -3.849 1.00 0.00 H new ATOM 0 HB2 ASP A 48 0.469 -8.320 -6.534 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.154 -9.918 -6.176 1.00 0.00 H new ATOM 730 N LYS A 49 2.265 -9.641 -3.836 1.00 0.00 N ATOM 731 CA LYS A 49 3.175 -10.685 -3.384 1.00 0.00 C ATOM 732 C LYS A 49 3.270 -10.702 -1.861 1.00 0.00 C ATOM 733 O LYS A 49 3.528 -11.744 -1.257 1.00 0.00 O ATOM 734 CB LYS A 49 4.565 -10.477 -3.990 1.00 0.00 C ATOM 735 CG LYS A 49 4.675 -10.939 -5.433 1.00 0.00 C ATOM 736 CD LYS A 49 5.719 -10.141 -6.195 1.00 0.00 C ATOM 737 CE LYS A 49 7.130 -10.519 -5.770 1.00 0.00 C ATOM 738 NZ LYS A 49 7.645 -11.688 -6.535 1.00 0.00 N ATOM 0 H LYS A 49 2.716 -8.750 -4.045 1.00 0.00 H new ATOM 0 HA LYS A 49 2.780 -11.645 -3.717 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.821 -9.419 -3.936 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.298 -11.014 -3.388 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.934 -11.997 -5.458 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.707 -10.836 -5.924 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.601 -10.314 -7.265 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.560 -9.076 -6.025 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.794 -9.667 -5.917 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.139 -10.750 -4.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.609 -11.914 -6.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.026 -12.508 -6.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.661 -11.459 -7.549 1.00 0.00 H new ATOM 752 N LEU A 50 3.060 -9.543 -1.247 1.00 0.00 N ATOM 753 CA LEU A 50 3.121 -9.425 0.206 1.00 0.00 C ATOM 754 C LEU A 50 1.794 -9.830 0.840 1.00 0.00 C ATOM 755 O LEU A 50 1.765 -10.411 1.924 1.00 0.00 O ATOM 756 CB LEU A 50 3.474 -7.992 0.606 1.00 0.00 C ATOM 757 CG LEU A 50 2.902 -7.506 1.938 1.00 0.00 C ATOM 758 CD1 LEU A 50 3.706 -8.066 3.101 1.00 0.00 C ATOM 759 CD2 LEU A 50 2.878 -5.985 1.986 1.00 0.00 C ATOM 0 H LEU A 50 2.846 -8.672 -1.732 1.00 0.00 H new ATOM 0 HA LEU A 50 3.897 -10.099 0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.560 -7.904 0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.129 -7.321 -0.181 1.00 0.00 H new ATOM 0 HG LEU A 50 1.877 -7.868 2.025 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.284 -7.709 4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.670 -9.155 3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.742 -7.736 3.020 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.468 -5.658 2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.892 -5.601 1.876 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.257 -5.605 1.175 1.00 0.00 H new ATOM 771 N GLY A 51 0.697 -9.520 0.156 1.00 0.00 N ATOM 772 CA GLY A 51 -0.617 -9.861 0.667 1.00 0.00 C ATOM 773 C GLY A 51 -0.790 -11.353 0.873 1.00 0.00 C ATOM 774 O GLY A 51 -1.294 -11.789 1.908 1.00 0.00 O ATOM 0 H GLY A 51 0.695 -9.039 -0.743 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.780 -9.345 1.613 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.377 -9.503 -0.027 1.00 0.00 H new ATOM 778 N GLU A 52 -0.373 -12.138 -0.116 1.00 0.00 N ATOM 779 CA GLU A 52 -0.487 -13.589 -0.038 1.00 0.00 C ATOM 780 C GLU A 52 0.342 -14.139 1.119 1.00 0.00 C ATOM 781 O GLU A 52 0.067 -15.223 1.635 1.00 0.00 O ATOM 782 CB GLU A 52 -0.037 -14.230 -1.353 1.00 0.00 C ATOM 783 CG GLU A 52 1.470 -14.391 -1.466 1.00 0.00 C ATOM 784 CD GLU A 52 1.877 -15.255 -2.644 1.00 0.00 C ATOM 785 OE1 GLU A 52 2.033 -14.707 -3.755 1.00 0.00 O ATOM 786 OE2 GLU A 52 2.040 -16.478 -2.454 1.00 0.00 O ATOM 0 H GLU A 52 0.046 -11.793 -0.980 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.534 -13.836 0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.507 -15.209 -1.450 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.393 -13.622 -2.185 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.930 -13.408 -1.565 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.855 -14.832 -0.546 1.00 0.00 H new ATOM 793 N THR A 53 1.360 -13.384 1.521 1.00 0.00 N ATOM 794 CA THR A 53 2.230 -13.796 2.615 1.00 0.00 C ATOM 795 C THR A 53 1.513 -13.696 3.957 1.00 0.00 C ATOM 796 O THR A 53 1.792 -14.462 4.879 1.00 0.00 O ATOM 797 CB THR A 53 3.511 -12.941 2.666 1.00 0.00 C ATOM 798 OG1 THR A 53 4.295 -13.163 1.489 1.00 0.00 O ATOM 799 CG2 THR A 53 4.335 -13.273 3.901 1.00 0.00 C ATOM 0 H THR A 53 1.602 -12.484 1.105 1.00 0.00 H new ATOM 0 HA THR A 53 2.501 -14.835 2.428 1.00 0.00 H new ATOM 0 HB THR A 53 3.219 -11.892 2.715 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.917 -12.653 0.743 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.234 -12.657 3.915 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.745 -13.075 4.796 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.617 -14.326 3.878 1.00 0.00 H new ATOM 807 N TYR A 54 0.588 -12.748 4.058 1.00 0.00 N ATOM 808 CA TYR A 54 -0.168 -12.547 5.288 1.00 0.00 C ATOM 809 C TYR A 54 -1.668 -12.634 5.026 1.00 0.00 C ATOM 810 O TYR A 54 -2.467 -11.975 5.692 1.00 0.00 O ATOM 811 CB TYR A 54 0.175 -11.191 5.907 1.00 0.00 C ATOM 812 CG TYR A 54 1.651 -11.003 6.174 1.00 0.00 C ATOM 813 CD1 TYR A 54 2.516 -10.609 5.160 1.00 0.00 C ATOM 814 CD2 TYR A 54 2.182 -11.217 7.440 1.00 0.00 C ATOM 815 CE1 TYR A 54 3.865 -10.437 5.398 1.00 0.00 C ATOM 816 CE2 TYR A 54 3.530 -11.046 7.688 1.00 0.00 C ATOM 817 CZ TYR A 54 4.368 -10.657 6.664 1.00 0.00 C ATOM 818 OH TYR A 54 5.711 -10.485 6.906 1.00 0.00 O ATOM 0 H TYR A 54 0.344 -12.107 3.303 1.00 0.00 H new ATOM 0 HA TYR A 54 0.107 -13.338 5.986 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.169 -10.400 5.241 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.372 -11.080 6.843 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.126 -10.434 4.168 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.529 -11.522 8.244 1.00 0.00 H new ATOM 0 HE1 TYR A 54 4.523 -10.132 4.598 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.926 -11.216 8.678 1.00 0.00 H new ATOM 0 HH TYR A 54 5.901 -10.679 7.848 1.00 0.00 H new ATOM 828 N LYS A 55 -2.045 -13.452 4.049 1.00 0.00 N ATOM 829 CA LYS A 55 -3.449 -13.629 3.697 1.00 0.00 C ATOM 830 C LYS A 55 -4.152 -14.535 4.703 1.00 0.00 C ATOM 831 O LYS A 55 -5.325 -14.335 5.018 1.00 0.00 O ATOM 832 CB LYS A 55 -3.572 -14.219 2.290 1.00 0.00 C ATOM 833 CG LYS A 55 -3.449 -15.732 2.252 1.00 0.00 C ATOM 834 CD LYS A 55 -2.841 -16.209 0.944 1.00 0.00 C ATOM 835 CE LYS A 55 -3.770 -15.947 -0.232 1.00 0.00 C ATOM 836 NZ LYS A 55 -4.684 -17.095 -0.483 1.00 0.00 N ATOM 0 H LYS A 55 -1.397 -14.003 3.486 1.00 0.00 H new ATOM 0 HA LYS A 55 -3.930 -12.651 3.718 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.534 -13.930 1.867 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.801 -13.784 1.654 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.832 -16.069 3.085 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.433 -16.181 2.382 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.890 -15.703 0.778 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.627 -17.276 1.009 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.358 -15.050 -0.037 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.178 -15.752 -1.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.301 -16.877 -1.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.124 -17.945 -0.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.267 -17.265 0.361 1.00 0.00 H new ATOM 850 N ASP A 56 -3.428 -15.530 5.203 1.00 0.00 N ATOM 851 CA ASP A 56 -3.982 -16.465 6.176 1.00 0.00 C ATOM 852 C ASP A 56 -3.378 -16.233 7.557 1.00 0.00 C ATOM 853 O ASP A 56 -3.405 -17.117 8.414 1.00 0.00 O ATOM 854 CB ASP A 56 -3.730 -17.906 5.730 1.00 0.00 C ATOM 855 CG ASP A 56 -4.352 -18.213 4.382 1.00 0.00 C ATOM 856 OD1 ASP A 56 -5.395 -17.607 4.058 1.00 0.00 O ATOM 857 OD2 ASP A 56 -3.795 -19.057 3.651 1.00 0.00 O ATOM 0 H ASP A 56 -2.456 -15.710 4.951 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.057 -16.295 6.237 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.656 -18.085 5.680 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.133 -18.590 6.477 1.00 0.00 H new ATOM 862 N HIS A 57 -2.834 -15.039 7.767 1.00 0.00 N ATOM 863 CA HIS A 57 -2.222 -14.691 9.045 1.00 0.00 C ATOM 864 C HIS A 57 -3.264 -14.678 10.160 1.00 0.00 C ATOM 865 O HIS A 57 -4.422 -15.034 9.943 1.00 0.00 O ATOM 866 CB HIS A 57 -1.540 -13.326 8.953 1.00 0.00 C ATOM 867 CG HIS A 57 -0.252 -13.248 9.714 1.00 0.00 C ATOM 868 ND1 HIS A 57 -0.174 -12.805 11.017 1.00 0.00 N ATOM 869 CD2 HIS A 57 1.013 -13.561 9.347 1.00 0.00 C ATOM 870 CE1 HIS A 57 1.084 -12.847 11.419 1.00 0.00 C ATOM 871 NE2 HIS A 57 1.824 -13.303 10.425 1.00 0.00 N ATOM 0 H HIS A 57 -2.804 -14.296 7.069 1.00 0.00 H new ATOM 0 HA HIS A 57 -1.473 -15.448 9.280 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -1.348 -13.095 7.905 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -2.221 -12.562 9.328 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.326 -13.942 8.386 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.446 -12.558 12.395 1.00 0.00 H new ATOM 0 HE2 HIS A 57 2.834 -13.441 10.453 1.00 0.00 H new ATOM 880 N GLU A 58 -2.843 -14.268 11.352 1.00 0.00 N ATOM 881 CA GLU A 58 -3.740 -14.211 12.500 1.00 0.00 C ATOM 882 C GLU A 58 -4.168 -12.775 12.785 1.00 0.00 C ATOM 883 O GLU A 58 -5.353 -12.492 12.957 1.00 0.00 O ATOM 884 CB GLU A 58 -3.062 -14.807 13.735 1.00 0.00 C ATOM 885 CG GLU A 58 -2.015 -13.896 14.355 1.00 0.00 C ATOM 886 CD GLU A 58 -1.203 -14.588 15.432 1.00 0.00 C ATOM 887 OE1 GLU A 58 -0.186 -15.227 15.092 1.00 0.00 O ATOM 888 OE2 GLU A 58 -1.586 -14.490 16.617 1.00 0.00 O ATOM 0 H GLU A 58 -1.887 -13.971 11.548 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.628 -14.797 12.264 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.822 -15.034 14.482 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.593 -15.752 13.461 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.344 -13.536 13.575 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.506 -13.022 14.781 1.00 0.00 H new ATOM 895 N ASN A 59 -3.194 -11.872 12.835 1.00 0.00 N ATOM 896 CA ASN A 59 -3.470 -10.464 13.101 1.00 0.00 C ATOM 897 C ASN A 59 -3.088 -9.600 11.903 1.00 0.00 C ATOM 898 O ASN A 59 -3.678 -8.544 11.674 1.00 0.00 O ATOM 899 CB ASN A 59 -2.707 -10.000 14.343 1.00 0.00 C ATOM 900 CG ASN A 59 -1.207 -9.965 14.122 1.00 0.00 C ATOM 901 OD1 ASN A 59 -0.656 -8.955 13.684 1.00 0.00 O ATOM 902 ND2 ASN A 59 -0.539 -11.072 14.423 1.00 0.00 N ATOM 0 H ASN A 59 -2.207 -12.089 12.695 1.00 0.00 H new ATOM 0 HA ASN A 59 -4.540 -10.355 13.278 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.053 -9.006 14.628 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.933 -10.667 15.175 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.472 -11.109 14.294 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.037 -11.886 14.784 1.00 0.00 H new ATOM 909 N ILE A 60 -2.098 -10.056 11.143 1.00 0.00 N ATOM 910 CA ILE A 60 -1.639 -9.325 9.968 1.00 0.00 C ATOM 911 C ILE A 60 -2.534 -9.600 8.765 1.00 0.00 C ATOM 912 O ILE A 60 -2.584 -10.720 8.257 1.00 0.00 O ATOM 913 CB ILE A 60 -0.187 -9.693 9.608 1.00 0.00 C ATOM 914 CG1 ILE A 60 0.720 -9.536 10.830 1.00 0.00 C ATOM 915 CG2 ILE A 60 0.309 -8.828 8.459 1.00 0.00 C ATOM 916 CD1 ILE A 60 2.154 -9.943 10.574 1.00 0.00 C ATOM 0 H ILE A 60 -1.599 -10.928 11.320 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.686 -8.265 10.218 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.160 -10.735 9.291 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.699 -8.496 11.157 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.321 -10.136 11.648 1.00 0.00 H new ATOM 0 HG21 ILE A 60 1.336 -9.100 8.216 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.324 -8.985 7.586 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.271 -7.778 8.751 1.00 0.00 H new ATOM 0 HD11 ILE A 60 2.739 -9.805 11.483 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.187 -10.991 10.276 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.571 -9.326 9.778 1.00 0.00 H new ATOM 928 N VAL A 61 -3.241 -8.569 8.312 1.00 0.00 N ATOM 929 CA VAL A 61 -4.133 -8.698 7.167 1.00 0.00 C ATOM 930 C VAL A 61 -3.882 -7.592 6.147 1.00 0.00 C ATOM 931 O VAL A 61 -4.234 -6.434 6.373 1.00 0.00 O ATOM 932 CB VAL A 61 -5.611 -8.656 7.599 1.00 0.00 C ATOM 933 CG1 VAL A 61 -6.489 -8.176 6.453 1.00 0.00 C ATOM 934 CG2 VAL A 61 -6.061 -10.025 8.088 1.00 0.00 C ATOM 0 H VAL A 61 -3.213 -7.635 8.721 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.923 -9.665 6.710 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.711 -7.949 8.423 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.530 -8.153 6.777 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.180 -7.175 6.153 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.387 -8.856 5.607 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.107 -9.978 8.389 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.947 -10.754 7.285 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -5.451 -10.326 8.940 1.00 0.00 H new ATOM 944 N ILE A 62 -3.272 -7.957 5.025 1.00 0.00 N ATOM 945 CA ILE A 62 -2.975 -6.997 3.970 1.00 0.00 C ATOM 946 C ILE A 62 -4.226 -6.660 3.165 1.00 0.00 C ATOM 947 O ILE A 62 -5.064 -7.524 2.911 1.00 0.00 O ATOM 948 CB ILE A 62 -1.891 -7.528 3.013 1.00 0.00 C ATOM 949 CG1 ILE A 62 -0.605 -7.832 3.784 1.00 0.00 C ATOM 950 CG2 ILE A 62 -1.625 -6.522 1.903 1.00 0.00 C ATOM 951 CD1 ILE A 62 0.113 -6.594 4.273 1.00 0.00 C ATOM 0 H ILE A 62 -2.974 -8.911 4.823 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.606 -6.096 4.459 1.00 0.00 H new ATOM 0 HB ILE A 62 -2.248 -8.453 2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -0.844 -8.465 4.639 1.00 0.00 H new ATOM 0 HG13 ILE A 62 0.067 -8.403 3.143 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.857 -6.912 1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.542 -6.350 1.340 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.285 -5.582 2.338 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.015 -6.885 4.811 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.384 -5.970 3.421 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.542 -6.033 4.940 1.00 0.00 H new ATOM 963 N ALA A 63 -4.344 -5.397 2.767 1.00 0.00 N ATOM 964 CA ALA A 63 -5.491 -4.946 1.988 1.00 0.00 C ATOM 965 C ALA A 63 -5.116 -3.775 1.087 1.00 0.00 C ATOM 966 O ALA A 63 -4.183 -3.026 1.379 1.00 0.00 O ATOM 967 CB ALA A 63 -6.637 -4.559 2.910 1.00 0.00 C ATOM 0 H ALA A 63 -3.660 -4.669 2.971 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.814 -5.771 1.353 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -7.486 -4.224 2.314 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -6.931 -5.422 3.508 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.317 -3.753 3.570 1.00 0.00 H new ATOM 973 N LYS A 64 -5.848 -3.621 -0.012 1.00 0.00 N ATOM 974 CA LYS A 64 -5.593 -2.540 -0.956 1.00 0.00 C ATOM 975 C LYS A 64 -6.875 -1.773 -1.264 1.00 0.00 C ATOM 976 O LYS A 64 -7.957 -2.355 -1.330 1.00 0.00 O ATOM 977 CB LYS A 64 -4.996 -3.096 -2.251 1.00 0.00 C ATOM 978 CG LYS A 64 -5.975 -3.922 -3.067 1.00 0.00 C ATOM 979 CD LYS A 64 -5.397 -4.296 -4.421 1.00 0.00 C ATOM 980 CE LYS A 64 -6.410 -5.046 -5.272 1.00 0.00 C ATOM 981 NZ LYS A 64 -5.770 -5.704 -6.445 1.00 0.00 N ATOM 0 H LYS A 64 -6.623 -4.232 -0.270 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.880 -1.854 -0.499 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -4.637 -2.267 -2.861 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -4.130 -3.711 -2.007 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.234 -4.828 -2.518 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -6.898 -3.360 -3.207 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.078 -3.394 -4.943 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.510 -4.913 -4.281 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -6.911 -5.798 -4.662 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -7.177 -4.353 -5.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.493 -6.205 -7.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.314 -4.984 -7.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.055 -6.384 -6.115 1.00 0.00 H new ATOM 995 N MET A 65 -6.745 -0.463 -1.452 1.00 0.00 N ATOM 996 CA MET A 65 -7.893 0.382 -1.755 1.00 0.00 C ATOM 997 C MET A 65 -7.528 1.446 -2.786 1.00 0.00 C ATOM 998 O MET A 65 -6.390 1.914 -2.832 1.00 0.00 O ATOM 999 CB MET A 65 -8.415 1.048 -0.480 1.00 0.00 C ATOM 1000 CG MET A 65 -9.793 1.670 -0.639 1.00 0.00 C ATOM 1001 SD MET A 65 -10.469 2.268 0.922 1.00 0.00 S ATOM 1002 CE MET A 65 -10.902 3.949 0.481 1.00 0.00 C ATOM 0 H MET A 65 -5.856 0.035 -1.400 1.00 0.00 H new ATOM 0 HA MET A 65 -8.677 -0.250 -2.173 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.450 0.307 0.319 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.711 1.820 -0.169 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.734 2.498 -1.346 1.00 0.00 H new ATOM 0 HG3 MET A 65 -10.473 0.933 -1.066 1.00 0.00 H new ATOM 0 HE1 MET A 65 -10.620 4.622 1.291 1.00 0.00 H new ATOM 0 HE2 MET A 65 -10.373 4.234 -0.429 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.977 4.015 0.312 1.00 0.00 H new ATOM 1012 N ASP A 66 -8.499 1.824 -3.610 1.00 0.00 N ATOM 1013 CA ASP A 66 -8.280 2.833 -4.639 1.00 0.00 C ATOM 1014 C ASP A 66 -8.728 4.209 -4.155 1.00 0.00 C ATOM 1015 O ASP A 66 -9.921 4.514 -4.139 1.00 0.00 O ATOM 1016 CB ASP A 66 -9.030 2.459 -5.918 1.00 0.00 C ATOM 1017 CG ASP A 66 -8.897 3.516 -6.997 1.00 0.00 C ATOM 1018 OD1 ASP A 66 -8.225 4.539 -6.747 1.00 0.00 O ATOM 1019 OD2 ASP A 66 -9.465 3.320 -8.092 1.00 0.00 O ATOM 0 H ASP A 66 -9.446 1.446 -3.585 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.212 2.873 -4.852 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.649 1.510 -6.295 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.085 2.310 -5.687 1.00 0.00 H new ATOM 1024 N SER A 67 -7.765 5.035 -3.762 1.00 0.00 N ATOM 1025 CA SER A 67 -8.061 6.377 -3.273 1.00 0.00 C ATOM 1026 C SER A 67 -8.678 7.233 -4.375 1.00 0.00 C ATOM 1027 O SER A 67 -9.375 8.211 -4.102 1.00 0.00 O ATOM 1028 CB SER A 67 -6.788 7.043 -2.747 1.00 0.00 C ATOM 1029 OG SER A 67 -7.091 8.015 -1.761 1.00 0.00 O ATOM 0 H SER A 67 -6.773 4.799 -3.772 1.00 0.00 H new ATOM 0 HA SER A 67 -8.780 6.290 -2.459 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.126 6.287 -2.325 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.252 7.512 -3.572 1.00 0.00 H new ATOM 0 HG SER A 67 -6.533 7.864 -0.970 1.00 0.00 H new ATOM 1035 N THR A 68 -8.417 6.857 -5.623 1.00 0.00 N ATOM 1036 CA THR A 68 -8.945 7.589 -6.768 1.00 0.00 C ATOM 1037 C THR A 68 -10.368 7.149 -7.093 1.00 0.00 C ATOM 1038 O THR A 68 -11.132 7.892 -7.707 1.00 0.00 O ATOM 1039 CB THR A 68 -8.062 7.396 -8.015 1.00 0.00 C ATOM 1040 OG1 THR A 68 -8.386 6.158 -8.657 1.00 0.00 O ATOM 1041 CG2 THR A 68 -6.587 7.407 -7.640 1.00 0.00 C ATOM 0 H THR A 68 -7.843 6.050 -5.867 1.00 0.00 H new ATOM 0 HA THR A 68 -8.947 8.644 -6.494 1.00 0.00 H new ATOM 0 HB THR A 68 -8.253 8.222 -8.700 1.00 0.00 H new ATOM 0 HG1 THR A 68 -8.247 5.418 -8.030 1.00 0.00 H new ATOM 0 HG21 THR A 68 -5.983 7.269 -8.537 1.00 0.00 H new ATOM 0 HG22 THR A 68 -6.336 8.361 -7.177 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.384 6.598 -6.938 1.00 0.00 H new ATOM 1049 N ALA A 69 -10.716 5.936 -6.678 1.00 0.00 N ATOM 1050 CA ALA A 69 -12.049 5.398 -6.924 1.00 0.00 C ATOM 1051 C ALA A 69 -12.881 5.389 -5.646 1.00 0.00 C ATOM 1052 O ALA A 69 -14.092 5.175 -5.685 1.00 0.00 O ATOM 1053 CB ALA A 69 -11.952 3.994 -7.503 1.00 0.00 C ATOM 0 H ALA A 69 -10.094 5.307 -6.170 1.00 0.00 H new ATOM 0 HA ALA A 69 -12.548 6.044 -7.647 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -12.954 3.604 -7.682 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -11.402 4.025 -8.443 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -11.431 3.345 -6.799 1.00 0.00 H new ATOM 1059 N ASN A 70 -12.223 5.622 -4.515 1.00 0.00 N ATOM 1060 CA ASN A 70 -12.904 5.639 -3.225 1.00 0.00 C ATOM 1061 C ASN A 70 -12.312 6.710 -2.313 1.00 0.00 C ATOM 1062 O ASN A 70 -11.105 6.740 -2.077 1.00 0.00 O ATOM 1063 CB ASN A 70 -12.803 4.268 -2.553 1.00 0.00 C ATOM 1064 CG ASN A 70 -13.418 3.166 -3.394 1.00 0.00 C ATOM 1065 OD1 ASN A 70 -14.639 3.066 -3.509 1.00 0.00 O ATOM 1066 ND2 ASN A 70 -12.571 2.332 -3.986 1.00 0.00 N ATOM 0 H ASN A 70 -11.220 5.801 -4.465 1.00 0.00 H new ATOM 0 HA ASN A 70 -13.954 5.874 -3.399 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -11.755 4.035 -2.364 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -13.302 4.303 -1.584 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -12.926 1.570 -4.564 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -11.566 2.453 -3.862 1.00 0.00 H new ATOM 1073 N GLU A 71 -13.172 7.586 -1.803 1.00 0.00 N ATOM 1074 CA GLU A 71 -12.734 8.658 -0.916 1.00 0.00 C ATOM 1075 C GLU A 71 -13.276 8.452 0.495 1.00 0.00 C ATOM 1076 O GLU A 71 -14.424 8.047 0.679 1.00 0.00 O ATOM 1077 CB GLU A 71 -13.190 10.015 -1.457 1.00 0.00 C ATOM 1078 CG GLU A 71 -12.266 11.161 -1.080 1.00 0.00 C ATOM 1079 CD GLU A 71 -12.648 12.464 -1.756 1.00 0.00 C ATOM 1080 OE1 GLU A 71 -13.525 13.175 -1.223 1.00 0.00 O ATOM 1081 OE2 GLU A 71 -12.069 12.772 -2.819 1.00 0.00 O ATOM 0 H GLU A 71 -14.175 7.575 -1.988 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.645 8.639 -0.874 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.261 9.959 -2.543 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -14.191 10.228 -1.083 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.285 11.298 0.001 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -11.242 10.902 -1.351 1.00 0.00 H new ATOM 1088 N VAL A 72 -12.441 8.734 1.490 1.00 0.00 N ATOM 1089 CA VAL A 72 -12.835 8.581 2.886 1.00 0.00 C ATOM 1090 C VAL A 72 -12.176 9.641 3.762 1.00 0.00 C ATOM 1091 O VAL A 72 -11.030 10.025 3.533 1.00 0.00 O ATOM 1092 CB VAL A 72 -12.467 7.185 3.423 1.00 0.00 C ATOM 1093 CG1 VAL A 72 -13.333 6.117 2.774 1.00 0.00 C ATOM 1094 CG2 VAL A 72 -10.991 6.898 3.193 1.00 0.00 C ATOM 0 H VAL A 72 -11.487 9.070 1.355 1.00 0.00 H new ATOM 0 HA VAL A 72 -13.917 8.703 2.925 1.00 0.00 H new ATOM 0 HB VAL A 72 -12.655 7.167 4.497 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -13.058 5.138 3.166 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -14.382 6.315 2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -13.181 6.131 1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.749 5.908 3.578 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.775 6.935 2.125 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -10.390 7.646 3.710 1.00 0.00 H new ATOM 1104 N GLU A 73 -12.910 10.109 4.767 1.00 0.00 N ATOM 1105 CA GLU A 73 -12.396 11.125 5.678 1.00 0.00 C ATOM 1106 C GLU A 73 -11.494 10.499 6.739 1.00 0.00 C ATOM 1107 O GLU A 73 -10.584 11.146 7.255 1.00 0.00 O ATOM 1108 CB GLU A 73 -13.551 11.870 6.350 1.00 0.00 C ATOM 1109 CG GLU A 73 -14.373 11.001 7.287 1.00 0.00 C ATOM 1110 CD GLU A 73 -15.748 11.578 7.563 1.00 0.00 C ATOM 1111 OE1 GLU A 73 -15.827 12.619 8.248 1.00 0.00 O ATOM 1112 OE2 GLU A 73 -16.744 10.989 7.094 1.00 0.00 O ATOM 0 H GLU A 73 -13.861 9.801 4.971 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.806 11.833 5.096 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -13.150 12.715 6.910 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.205 12.279 5.580 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -14.481 10.007 6.853 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.838 10.882 8.229 1.00 0.00 H new ATOM 1119 N ALA A 74 -11.756 9.236 7.059 1.00 0.00 N ATOM 1120 CA ALA A 74 -10.969 8.522 8.056 1.00 0.00 C ATOM 1121 C ALA A 74 -9.507 8.423 7.633 1.00 0.00 C ATOM 1122 O ALA A 74 -8.635 8.114 8.446 1.00 0.00 O ATOM 1123 CB ALA A 74 -11.548 7.135 8.292 1.00 0.00 C ATOM 0 H ALA A 74 -12.507 8.686 6.642 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.013 9.085 8.989 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.950 6.613 9.039 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.575 7.225 8.647 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.535 6.572 7.359 1.00 0.00 H new ATOM 1129 N VAL A 75 -9.246 8.685 6.357 1.00 0.00 N ATOM 1130 CA VAL A 75 -7.889 8.626 5.826 1.00 0.00 C ATOM 1131 C VAL A 75 -7.707 9.607 4.673 1.00 0.00 C ATOM 1132 O VAL A 75 -8.269 9.425 3.593 1.00 0.00 O ATOM 1133 CB VAL A 75 -7.539 7.207 5.338 1.00 0.00 C ATOM 1134 CG1 VAL A 75 -6.300 7.236 4.457 1.00 0.00 C ATOM 1135 CG2 VAL A 75 -7.341 6.272 6.521 1.00 0.00 C ATOM 0 H VAL A 75 -9.956 8.940 5.671 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.218 8.898 6.641 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.370 6.831 4.742 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.068 6.225 4.122 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.484 7.872 3.591 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.458 7.632 5.026 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.094 5.274 6.159 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.528 6.642 7.145 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.258 6.229 7.108 1.00 0.00 H new ATOM 1145 N LYS A 76 -6.916 10.648 4.910 1.00 0.00 N ATOM 1146 CA LYS A 76 -6.656 11.659 3.892 1.00 0.00 C ATOM 1147 C LYS A 76 -5.381 11.338 3.119 1.00 0.00 C ATOM 1148 O LYS A 76 -4.308 11.191 3.705 1.00 0.00 O ATOM 1149 CB LYS A 76 -6.541 13.043 4.535 1.00 0.00 C ATOM 1150 CG LYS A 76 -7.877 13.637 4.943 1.00 0.00 C ATOM 1151 CD LYS A 76 -8.614 14.223 3.750 1.00 0.00 C ATOM 1152 CE LYS A 76 -10.122 14.138 3.930 1.00 0.00 C ATOM 1153 NZ LYS A 76 -10.676 12.868 3.384 1.00 0.00 N ATOM 0 H LYS A 76 -6.444 10.814 5.799 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.493 11.658 3.194 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.900 12.974 5.414 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.051 13.720 3.835 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.492 12.867 5.409 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.718 14.414 5.691 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.321 15.264 3.615 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.324 13.690 2.844 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.366 14.215 4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.595 14.984 3.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.712 12.871 3.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.422 12.782 2.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.282 12.063 3.911 1.00 0.00 H new ATOM 1167 N VAL A 77 -5.504 11.231 1.800 1.00 0.00 N ATOM 1168 CA VAL A 77 -4.361 10.930 0.947 1.00 0.00 C ATOM 1169 C VAL A 77 -4.165 12.009 -0.112 1.00 0.00 C ATOM 1170 O VAL A 77 -5.017 12.205 -0.980 1.00 0.00 O ATOM 1171 CB VAL A 77 -4.525 9.566 0.249 1.00 0.00 C ATOM 1172 CG1 VAL A 77 -3.227 9.154 -0.428 1.00 0.00 C ATOM 1173 CG2 VAL A 77 -4.975 8.509 1.246 1.00 0.00 C ATOM 0 H VAL A 77 -6.385 11.348 1.299 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.484 10.897 1.594 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.293 9.659 -0.518 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -3.362 8.189 -0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.952 9.901 -1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.436 9.077 0.318 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.086 7.552 0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.231 8.415 2.037 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.931 8.802 1.680 1.00 0.00 H new ATOM 1183 N HIS A 78 -3.038 12.709 -0.034 1.00 0.00 N ATOM 1184 CA HIS A 78 -2.729 13.770 -0.987 1.00 0.00 C ATOM 1185 C HIS A 78 -1.553 13.377 -1.875 1.00 0.00 C ATOM 1186 O HIS A 78 -0.824 14.235 -2.372 1.00 0.00 O ATOM 1187 CB HIS A 78 -2.414 15.071 -0.249 1.00 0.00 C ATOM 1188 CG HIS A 78 -3.360 15.368 0.874 1.00 0.00 C ATOM 1189 ND1 HIS A 78 -3.037 16.189 1.933 1.00 0.00 N ATOM 1190 CD2 HIS A 78 -4.628 14.949 1.097 1.00 0.00 C ATOM 1191 CE1 HIS A 78 -4.064 16.260 2.761 1.00 0.00 C ATOM 1192 NE2 HIS A 78 -5.042 15.517 2.276 1.00 0.00 N ATOM 0 H HIS A 78 -2.324 12.561 0.679 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.603 13.923 -1.620 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -1.399 15.018 0.146 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.437 15.897 -0.960 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -2.145 16.667 2.058 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -5.206 14.291 0.465 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -4.098 16.829 3.678 1.00 0.00 H new ATOM 1201 N SER A 79 -1.373 12.074 -2.069 1.00 0.00 N ATOM 1202 CA SER A 79 -0.282 11.567 -2.894 1.00 0.00 C ATOM 1203 C SER A 79 -0.398 10.057 -3.078 1.00 0.00 C ATOM 1204 O SER A 79 -1.174 9.393 -2.391 1.00 0.00 O ATOM 1205 CB SER A 79 1.067 11.914 -2.261 1.00 0.00 C ATOM 1206 OG SER A 79 1.296 11.143 -1.094 1.00 0.00 O ATOM 0 H SER A 79 -1.968 11.350 -1.666 1.00 0.00 H new ATOM 0 HA SER A 79 -0.348 12.041 -3.873 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.866 11.737 -2.981 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.093 12.975 -2.011 1.00 0.00 H new ATOM 0 HG SER A 79 2.165 11.382 -0.709 1.00 0.00 H new ATOM 1212 N PHE A 80 0.381 9.521 -4.012 1.00 0.00 N ATOM 1213 CA PHE A 80 0.367 8.089 -4.289 1.00 0.00 C ATOM 1214 C PHE A 80 1.636 7.665 -5.023 1.00 0.00 C ATOM 1215 O PHE A 80 2.250 8.442 -5.755 1.00 0.00 O ATOM 1216 CB PHE A 80 -0.864 7.721 -5.121 1.00 0.00 C ATOM 1217 CG PHE A 80 -2.116 8.426 -4.682 1.00 0.00 C ATOM 1218 CD1 PHE A 80 -2.901 7.903 -3.667 1.00 0.00 C ATOM 1219 CD2 PHE A 80 -2.507 9.610 -5.284 1.00 0.00 C ATOM 1220 CE1 PHE A 80 -4.054 8.548 -3.260 1.00 0.00 C ATOM 1221 CE2 PHE A 80 -3.659 10.260 -4.882 1.00 0.00 C ATOM 1222 CZ PHE A 80 -4.433 9.728 -3.869 1.00 0.00 C ATOM 0 H PHE A 80 1.029 10.056 -4.589 1.00 0.00 H new ATOM 0 HA PHE A 80 0.325 7.560 -3.337 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.670 7.959 -6.167 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -1.023 6.644 -5.063 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.609 6.980 -3.188 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.905 10.030 -6.076 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.657 8.130 -2.468 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.954 11.183 -5.359 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.333 10.234 -3.554 1.00 0.00 H new ATOM 1232 N PRO A 81 2.040 6.401 -4.824 1.00 0.00 N ATOM 1233 CA PRO A 81 1.318 5.467 -3.955 1.00 0.00 C ATOM 1234 C PRO A 81 1.432 5.840 -2.481 1.00 0.00 C ATOM 1235 O PRO A 81 2.457 6.361 -2.039 1.00 0.00 O ATOM 1236 CB PRO A 81 2.008 4.128 -4.223 1.00 0.00 C ATOM 1237 CG PRO A 81 3.378 4.493 -4.681 1.00 0.00 C ATOM 1238 CD PRO A 81 3.233 5.788 -5.431 1.00 0.00 C ATOM 0 HA PRO A 81 0.248 5.460 -4.164 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.042 3.513 -3.324 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.477 3.554 -4.982 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.055 4.606 -3.834 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.795 3.716 -5.321 1.00 0.00 H new ATOM 0 HD2 PRO A 81 4.113 6.420 -5.315 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.099 5.621 -6.500 1.00 0.00 H new ATOM 1246 N THR A 82 0.374 5.571 -1.723 1.00 0.00 N ATOM 1247 CA THR A 82 0.356 5.879 -0.299 1.00 0.00 C ATOM 1248 C THR A 82 0.031 4.640 0.528 1.00 0.00 C ATOM 1249 O THR A 82 -0.935 3.929 0.247 1.00 0.00 O ATOM 1250 CB THR A 82 -0.671 6.981 0.025 1.00 0.00 C ATOM 1251 OG1 THR A 82 -0.195 8.247 -0.445 1.00 0.00 O ATOM 1252 CG2 THR A 82 -0.932 7.055 1.522 1.00 0.00 C ATOM 0 H THR A 82 -0.482 5.140 -2.072 1.00 0.00 H new ATOM 0 HA THR A 82 1.354 6.234 -0.041 1.00 0.00 H new ATOM 0 HB THR A 82 -1.606 6.735 -0.478 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.461 8.370 -1.380 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.660 7.840 1.726 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.322 6.099 1.871 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.001 7.279 2.043 1.00 0.00 H new ATOM 1260 N LEU A 83 0.843 4.386 1.548 1.00 0.00 N ATOM 1261 CA LEU A 83 0.642 3.232 2.417 1.00 0.00 C ATOM 1262 C LEU A 83 0.344 3.672 3.847 1.00 0.00 C ATOM 1263 O LEU A 83 0.936 4.627 4.350 1.00 0.00 O ATOM 1264 CB LEU A 83 1.878 2.331 2.396 1.00 0.00 C ATOM 1265 CG LEU A 83 2.419 1.967 1.013 1.00 0.00 C ATOM 1266 CD1 LEU A 83 3.694 1.147 1.137 1.00 0.00 C ATOM 1267 CD2 LEU A 83 1.371 1.209 0.212 1.00 0.00 C ATOM 0 H LEU A 83 1.647 4.964 1.794 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.215 2.672 2.043 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.672 2.824 2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.640 1.408 2.925 1.00 0.00 H new ATOM 0 HG LEU A 83 2.655 2.890 0.483 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.064 0.897 0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.448 1.726 1.670 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.485 0.230 1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.774 0.958 -0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.103 0.293 0.739 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.484 1.832 0.092 1.00 0.00 H new ATOM 1279 N LYS A 84 -0.575 2.968 4.498 1.00 0.00 N ATOM 1280 CA LYS A 84 -0.950 3.282 5.872 1.00 0.00 C ATOM 1281 C LYS A 84 -1.225 2.009 6.666 1.00 0.00 C ATOM 1282 O LYS A 84 -2.047 1.182 6.267 1.00 0.00 O ATOM 1283 CB LYS A 84 -2.185 4.185 5.891 1.00 0.00 C ATOM 1284 CG LYS A 84 -2.064 5.402 4.990 1.00 0.00 C ATOM 1285 CD LYS A 84 -2.838 6.586 5.545 1.00 0.00 C ATOM 1286 CE LYS A 84 -2.588 7.846 4.730 1.00 0.00 C ATOM 1287 NZ LYS A 84 -1.350 8.551 5.163 1.00 0.00 N ATOM 0 H LYS A 84 -1.075 2.175 4.096 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.116 3.807 6.339 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.055 3.603 5.586 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.366 4.517 6.913 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.014 5.672 4.881 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.436 5.157 3.995 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.904 6.357 5.546 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.548 6.758 6.582 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -2.507 7.586 3.675 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.441 8.517 4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -1.215 9.404 4.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.437 8.822 6.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.532 7.920 5.045 1.00 0.00 H new ATOM 1301 N PHE A 85 -0.535 1.858 7.791 1.00 0.00 N ATOM 1302 CA PHE A 85 -0.705 0.685 8.641 1.00 0.00 C ATOM 1303 C PHE A 85 -1.748 0.946 9.724 1.00 0.00 C ATOM 1304 O PHE A 85 -1.722 1.982 10.390 1.00 0.00 O ATOM 1305 CB PHE A 85 0.628 0.296 9.283 1.00 0.00 C ATOM 1306 CG PHE A 85 0.497 -0.761 10.342 1.00 0.00 C ATOM 1307 CD1 PHE A 85 0.234 -0.415 11.657 1.00 0.00 C ATOM 1308 CD2 PHE A 85 0.638 -2.102 10.021 1.00 0.00 C ATOM 1309 CE1 PHE A 85 0.113 -1.386 12.634 1.00 0.00 C ATOM 1310 CE2 PHE A 85 0.517 -3.077 10.993 1.00 0.00 C ATOM 1311 CZ PHE A 85 0.256 -2.719 12.301 1.00 0.00 C ATOM 0 H PHE A 85 0.147 2.533 8.136 1.00 0.00 H new ATOM 0 HA PHE A 85 -1.053 -0.138 8.017 1.00 0.00 H new ATOM 0 HB2 PHE A 85 1.306 -0.060 8.507 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.084 1.184 9.721 1.00 0.00 H new ATOM 0 HD1 PHE A 85 0.122 0.626 11.923 1.00 0.00 H new ATOM 0 HD2 PHE A 85 0.845 -2.388 9.000 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.093 -1.103 13.656 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.627 -4.119 10.730 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.164 -3.480 13.062 1.00 0.00 H new ATOM 1321 N PHE A 86 -2.665 0.000 9.895 1.00 0.00 N ATOM 1322 CA PHE A 86 -3.718 0.127 10.896 1.00 0.00 C ATOM 1323 C PHE A 86 -3.493 -0.847 12.048 1.00 0.00 C ATOM 1324 O PHE A 86 -3.722 -2.051 11.930 1.00 0.00 O ATOM 1325 CB PHE A 86 -5.087 -0.123 10.261 1.00 0.00 C ATOM 1326 CG PHE A 86 -5.402 0.809 9.126 1.00 0.00 C ATOM 1327 CD1 PHE A 86 -4.633 1.941 8.909 1.00 0.00 C ATOM 1328 CD2 PHE A 86 -6.467 0.554 8.278 1.00 0.00 C ATOM 1329 CE1 PHE A 86 -4.919 2.801 7.865 1.00 0.00 C ATOM 1330 CE2 PHE A 86 -6.758 1.411 7.232 1.00 0.00 C ATOM 1331 CZ PHE A 86 -5.984 2.536 7.027 1.00 0.00 C ATOM 0 H PHE A 86 -2.700 -0.863 9.353 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.689 1.142 11.291 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.128 -1.150 9.899 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.857 -0.024 11.026 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.800 2.154 9.563 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.077 -0.323 8.435 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.310 3.679 7.705 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.590 1.200 6.576 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.211 3.208 6.212 1.00 0.00 H new ATOM 1341 N PRO A 87 -3.034 -0.316 13.191 1.00 0.00 N ATOM 1342 CA PRO A 87 -2.767 -1.120 14.387 1.00 0.00 C ATOM 1343 C PRO A 87 -4.047 -1.643 15.031 1.00 0.00 C ATOM 1344 O PRO A 87 -5.141 -1.162 14.738 1.00 0.00 O ATOM 1345 CB PRO A 87 -2.060 -0.138 15.325 1.00 0.00 C ATOM 1346 CG PRO A 87 -2.531 1.207 14.889 1.00 0.00 C ATOM 1347 CD PRO A 87 -2.739 1.111 13.403 1.00 0.00 C ATOM 0 HA PRO A 87 -2.180 -2.009 14.157 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -2.318 -0.330 16.367 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.976 -0.224 15.244 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.457 1.480 15.396 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.797 1.975 15.131 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -3.561 1.745 13.071 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.852 1.424 12.852 1.00 0.00 H new ATOM 1355 N ALA A 88 -3.902 -2.630 15.908 1.00 0.00 N ATOM 1356 CA ALA A 88 -5.046 -3.217 16.595 1.00 0.00 C ATOM 1357 C ALA A 88 -5.547 -2.302 17.707 1.00 0.00 C ATOM 1358 O ALA A 88 -5.488 -2.651 18.886 1.00 0.00 O ATOM 1359 CB ALA A 88 -4.681 -4.583 17.157 1.00 0.00 C ATOM 0 H ALA A 88 -3.003 -3.041 16.160 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.851 -3.338 15.870 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.545 -5.009 17.667 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -4.378 -5.242 16.343 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.858 -4.478 17.864 1.00 0.00 H new ATOM 1422 N THR A 93 -6.938 4.248 14.674 1.00 0.00 N ATOM 1423 CA THR A 93 -5.638 4.888 14.520 1.00 0.00 C ATOM 1424 C THR A 93 -4.962 4.456 13.223 1.00 0.00 C ATOM 1425 O THR A 93 -5.183 3.347 12.736 1.00 0.00 O ATOM 1426 CB THR A 93 -4.707 4.563 15.704 1.00 0.00 C ATOM 1427 OG1 THR A 93 -5.299 5.009 16.929 1.00 0.00 O ATOM 1428 CG2 THR A 93 -3.348 5.222 15.521 1.00 0.00 C ATOM 0 HA THR A 93 -5.817 5.963 14.493 1.00 0.00 H new ATOM 0 HB THR A 93 -4.566 3.483 15.741 1.00 0.00 H new ATOM 0 HG1 THR A 93 -6.275 5.017 16.837 1.00 0.00 H new ATOM 0 HG21 THR A 93 -2.708 4.978 16.369 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.888 4.858 14.603 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.473 6.303 15.460 1.00 0.00 H new ATOM 1436 N VAL A 94 -4.136 5.338 12.669 1.00 0.00 N ATOM 1437 CA VAL A 94 -3.426 5.046 11.430 1.00 0.00 C ATOM 1438 C VAL A 94 -1.952 5.416 11.541 1.00 0.00 C ATOM 1439 O VAL A 94 -1.603 6.461 12.091 1.00 0.00 O ATOM 1440 CB VAL A 94 -4.045 5.801 10.238 1.00 0.00 C ATOM 1441 CG1 VAL A 94 -3.126 5.733 9.028 1.00 0.00 C ATOM 1442 CG2 VAL A 94 -5.419 5.238 9.906 1.00 0.00 C ATOM 0 H VAL A 94 -3.942 6.260 13.059 1.00 0.00 H new ATOM 0 HA VAL A 94 -3.516 3.973 11.258 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.164 6.848 10.516 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.580 6.272 8.196 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.166 6.187 9.274 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.973 4.691 8.746 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -5.841 5.783 9.062 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.327 4.183 9.647 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.074 5.344 10.771 1.00 0.00 H new ATOM 1452 N ILE A 95 -1.090 4.553 11.015 1.00 0.00 N ATOM 1453 CA ILE A 95 0.348 4.790 11.053 1.00 0.00 C ATOM 1454 C ILE A 95 0.908 5.007 9.651 1.00 0.00 C ATOM 1455 O ILE A 95 0.609 4.250 8.728 1.00 0.00 O ATOM 1456 CB ILE A 95 1.094 3.616 11.715 1.00 0.00 C ATOM 1457 CG1 ILE A 95 0.700 3.498 13.189 1.00 0.00 C ATOM 1458 CG2 ILE A 95 2.598 3.800 11.577 1.00 0.00 C ATOM 1459 CD1 ILE A 95 1.500 2.463 13.948 1.00 0.00 C ATOM 0 H ILE A 95 -1.362 3.683 10.557 1.00 0.00 H new ATOM 0 HA ILE A 95 0.503 5.691 11.647 1.00 0.00 H new ATOM 0 HB ILE A 95 0.811 2.693 11.208 1.00 0.00 H new ATOM 0 HG12 ILE A 95 0.828 4.468 13.669 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.359 3.247 13.255 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.112 2.963 12.049 1.00 0.00 H new ATOM 0 HG22 ILE A 95 2.864 3.840 10.521 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.897 4.729 12.062 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.167 2.434 14.985 1.00 0.00 H new ATOM 0 HD12 ILE A 95 1.353 1.484 13.493 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.558 2.724 13.914 1.00 0.00 H new ATOM 1471 N ASP A 96 1.722 6.046 9.500 1.00 0.00 N ATOM 1472 CA ASP A 96 2.326 6.362 8.212 1.00 0.00 C ATOM 1473 C ASP A 96 3.517 5.450 7.931 1.00 0.00 C ATOM 1474 O ASP A 96 4.361 5.230 8.800 1.00 0.00 O ATOM 1475 CB ASP A 96 2.770 7.826 8.178 1.00 0.00 C ATOM 1476 CG ASP A 96 1.642 8.764 7.796 1.00 0.00 C ATOM 1477 OD1 ASP A 96 0.543 8.635 8.373 1.00 0.00 O ATOM 1478 OD2 ASP A 96 1.859 9.627 6.920 1.00 0.00 O ATOM 0 H ASP A 96 1.978 6.683 10.254 1.00 0.00 H new ATOM 0 HA ASP A 96 1.576 6.199 7.438 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.157 8.108 9.157 1.00 0.00 H new ATOM 0 HB3 ASP A 96 3.588 7.938 7.467 1.00 0.00 H new ATOM 1483 N TYR A 97 3.576 4.922 6.714 1.00 0.00 N ATOM 1484 CA TYR A 97 4.661 4.031 6.320 1.00 0.00 C ATOM 1485 C TYR A 97 5.712 4.779 5.505 1.00 0.00 C ATOM 1486 O TYR A 97 5.478 5.142 4.353 1.00 0.00 O ATOM 1487 CB TYR A 97 4.114 2.854 5.510 1.00 0.00 C ATOM 1488 CG TYR A 97 5.153 1.803 5.191 1.00 0.00 C ATOM 1489 CD1 TYR A 97 6.081 2.001 4.176 1.00 0.00 C ATOM 1490 CD2 TYR A 97 5.207 0.612 5.904 1.00 0.00 C ATOM 1491 CE1 TYR A 97 7.032 1.043 3.880 1.00 0.00 C ATOM 1492 CE2 TYR A 97 6.155 -0.351 5.616 1.00 0.00 C ATOM 1493 CZ TYR A 97 7.065 -0.130 4.604 1.00 0.00 C ATOM 1494 OH TYR A 97 8.010 -1.087 4.313 1.00 0.00 O ATOM 0 H TYR A 97 2.886 5.095 5.983 1.00 0.00 H new ATOM 0 HA TYR A 97 5.133 3.652 7.227 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.299 2.390 6.065 1.00 0.00 H new ATOM 0 HB3 TYR A 97 3.692 3.230 4.578 1.00 0.00 H new ATOM 0 HD1 TYR A 97 6.059 2.920 3.608 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.496 0.436 6.697 1.00 0.00 H new ATOM 0 HE1 TYR A 97 7.745 1.212 3.087 1.00 0.00 H new ATOM 0 HE2 TYR A 97 6.183 -1.271 6.180 1.00 0.00 H new ATOM 0 HH TYR A 97 7.618 -1.765 3.724 1.00 0.00 H new ATOM 1504 N ASN A 98 6.872 5.004 6.113 1.00 0.00 N ATOM 1505 CA ASN A 98 7.961 5.709 5.445 1.00 0.00 C ATOM 1506 C ASN A 98 9.233 4.867 5.442 1.00 0.00 C ATOM 1507 O ASN A 98 10.178 5.149 6.178 1.00 0.00 O ATOM 1508 CB ASN A 98 8.225 7.050 6.131 1.00 0.00 C ATOM 1509 CG ASN A 98 8.118 6.958 7.641 1.00 0.00 C ATOM 1510 OD1 ASN A 98 9.005 6.421 8.306 1.00 0.00 O ATOM 1511 ND2 ASN A 98 7.029 7.483 8.190 1.00 0.00 N ATOM 0 H ASN A 98 7.083 4.709 7.066 1.00 0.00 H new ATOM 0 HA ASN A 98 7.664 5.890 4.412 1.00 0.00 H new ATOM 0 HB2 ASN A 98 9.220 7.403 5.861 1.00 0.00 H new ATOM 0 HB3 ASN A 98 7.513 7.789 5.763 1.00 0.00 H new ATOM 0 HD21 ASN A 98 6.902 7.451 9.202 1.00 0.00 H new ATOM 0 HD22 ASN A 98 6.320 7.918 7.600 1.00 0.00 H new ATOM 1518 N GLY A 99 9.250 3.832 4.608 1.00 0.00 N ATOM 1519 CA GLY A 99 10.410 2.965 4.525 1.00 0.00 C ATOM 1520 C GLY A 99 10.835 2.700 3.094 1.00 0.00 C ATOM 1521 O GLY A 99 10.625 3.534 2.214 1.00 0.00 O ATOM 0 H GLY A 99 8.481 3.579 3.988 1.00 0.00 H new ATOM 0 HA2 GLY A 99 11.239 3.419 5.069 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.187 2.018 5.016 1.00 0.00 H new ATOM 1525 N GLU A 100 11.435 1.537 2.862 1.00 0.00 N ATOM 1526 CA GLU A 100 11.892 1.167 1.527 1.00 0.00 C ATOM 1527 C GLU A 100 10.711 0.971 0.582 1.00 0.00 C ATOM 1528 O GLU A 100 10.824 1.191 -0.624 1.00 0.00 O ATOM 1529 CB GLU A 100 12.729 -0.112 1.587 1.00 0.00 C ATOM 1530 CG GLU A 100 12.019 -1.273 2.263 1.00 0.00 C ATOM 1531 CD GLU A 100 12.982 -2.248 2.913 1.00 0.00 C ATOM 1532 OE1 GLU A 100 13.459 -3.165 2.212 1.00 0.00 O ATOM 1533 OE2 GLU A 100 13.258 -2.094 4.121 1.00 0.00 O ATOM 0 H GLU A 100 11.616 0.835 3.580 1.00 0.00 H new ATOM 0 HA GLU A 100 12.510 1.980 1.144 1.00 0.00 H new ATOM 0 HB2 GLU A 100 13.003 -0.405 0.573 1.00 0.00 H new ATOM 0 HB3 GLU A 100 13.657 0.096 2.120 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.335 -0.886 3.018 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.414 -1.802 1.527 1.00 0.00 H new ATOM 1540 N ARG A 101 9.578 0.555 1.139 1.00 0.00 N ATOM 1541 CA ARG A 101 8.375 0.328 0.346 1.00 0.00 C ATOM 1542 C ARG A 101 8.563 -0.855 -0.599 1.00 0.00 C ATOM 1543 O ARG A 101 8.205 -0.788 -1.775 1.00 0.00 O ATOM 1544 CB ARG A 101 8.021 1.582 -0.454 1.00 0.00 C ATOM 1545 CG ARG A 101 6.604 1.574 -1.004 1.00 0.00 C ATOM 1546 CD ARG A 101 6.350 2.772 -1.906 1.00 0.00 C ATOM 1547 NE ARG A 101 6.450 4.035 -1.180 1.00 0.00 N ATOM 1548 CZ ARG A 101 6.651 5.208 -1.771 1.00 0.00 C ATOM 1549 NH1 ARG A 101 6.773 5.278 -3.089 1.00 0.00 N ATOM 1550 NH2 ARG A 101 6.730 6.314 -1.042 1.00 0.00 N ATOM 0 H ARG A 101 9.468 0.368 2.136 1.00 0.00 H new ATOM 0 HA ARG A 101 7.557 0.099 1.030 1.00 0.00 H new ATOM 0 HB2 ARG A 101 8.150 2.457 0.183 1.00 0.00 H new ATOM 0 HB3 ARG A 101 8.722 1.684 -1.282 1.00 0.00 H new ATOM 0 HG2 ARG A 101 6.435 0.654 -1.563 1.00 0.00 H new ATOM 0 HG3 ARG A 101 5.892 1.581 -0.179 1.00 0.00 H new ATOM 0 HD2 ARG A 101 7.068 2.767 -2.726 1.00 0.00 H new ATOM 0 HD3 ARG A 101 5.358 2.687 -2.351 1.00 0.00 H new ATOM 0 HE ARG A 101 6.361 4.016 -0.164 1.00 0.00 H new ATOM 0 HH11 ARG A 101 6.713 4.430 -3.653 1.00 0.00 H new ATOM 0 HH12 ARG A 101 6.927 6.180 -3.540 1.00 0.00 H new ATOM 0 HH21 ARG A 101 6.636 6.264 -0.028 1.00 0.00 H new ATOM 0 HH22 ARG A 101 6.884 7.214 -1.496 1.00 0.00 H new ATOM 1564 N THR A 102 9.128 -1.940 -0.076 1.00 0.00 N ATOM 1565 CA THR A 102 9.365 -3.137 -0.873 1.00 0.00 C ATOM 1566 C THR A 102 8.699 -4.356 -0.245 1.00 0.00 C ATOM 1567 O THR A 102 8.233 -4.304 0.894 1.00 0.00 O ATOM 1568 CB THR A 102 10.871 -3.415 -1.034 1.00 0.00 C ATOM 1569 OG1 THR A 102 11.466 -3.654 0.246 1.00 0.00 O ATOM 1570 CG2 THR A 102 11.568 -2.245 -1.712 1.00 0.00 C ATOM 0 H THR A 102 9.430 -2.014 0.896 1.00 0.00 H new ATOM 0 HA THR A 102 8.930 -2.954 -1.855 1.00 0.00 H new ATOM 0 HB THR A 102 10.989 -4.300 -1.659 1.00 0.00 H new ATOM 0 HG1 THR A 102 12.442 -3.673 0.155 1.00 0.00 H new ATOM 0 HG21 THR A 102 12.631 -2.465 -1.815 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.133 -2.085 -2.699 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.440 -1.346 -1.109 1.00 0.00 H new ATOM 1578 N LEU A 103 8.659 -5.453 -0.992 1.00 0.00 N ATOM 1579 CA LEU A 103 8.051 -6.687 -0.508 1.00 0.00 C ATOM 1580 C LEU A 103 8.702 -7.141 0.795 1.00 0.00 C ATOM 1581 O LEU A 103 8.016 -7.463 1.765 1.00 0.00 O ATOM 1582 CB LEU A 103 8.173 -7.788 -1.563 1.00 0.00 C ATOM 1583 CG LEU A 103 7.639 -9.164 -1.163 1.00 0.00 C ATOM 1584 CD1 LEU A 103 6.143 -9.099 -0.897 1.00 0.00 C ATOM 1585 CD2 LEU A 103 7.947 -10.190 -2.243 1.00 0.00 C ATOM 0 H LEU A 103 9.041 -5.513 -1.936 1.00 0.00 H new ATOM 0 HA LEU A 103 6.996 -6.491 -0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.647 -7.463 -2.461 1.00 0.00 H new ATOM 0 HB3 LEU A 103 9.225 -7.892 -1.830 1.00 0.00 H new ATOM 0 HG LEU A 103 8.137 -9.473 -0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.781 -10.087 -0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.948 -8.395 -0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.627 -8.768 -1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 103 7.560 -11.163 -1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.477 -9.886 -3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 103 9.026 -10.257 -2.384 1.00 0.00 H new ATOM 1597 N ASP A 104 10.031 -7.162 0.810 1.00 0.00 N ATOM 1598 CA ASP A 104 10.776 -7.572 1.994 1.00 0.00 C ATOM 1599 C ASP A 104 10.746 -6.481 3.060 1.00 0.00 C ATOM 1600 O ASP A 104 10.752 -6.768 4.256 1.00 0.00 O ATOM 1601 CB ASP A 104 12.223 -7.902 1.624 1.00 0.00 C ATOM 1602 CG ASP A 104 12.390 -9.335 1.161 1.00 0.00 C ATOM 1603 OD1 ASP A 104 11.685 -9.739 0.211 1.00 0.00 O ATOM 1604 OD2 ASP A 104 13.226 -10.054 1.747 1.00 0.00 O ATOM 0 H ASP A 104 10.614 -6.900 0.015 1.00 0.00 H new ATOM 0 HA ASP A 104 10.301 -8.465 2.400 1.00 0.00 H new ATOM 0 HB2 ASP A 104 12.556 -7.227 0.835 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.865 -7.725 2.487 1.00 0.00 H new ATOM 1609 N GLY A 105 10.715 -5.228 2.617 1.00 0.00 N ATOM 1610 CA GLY A 105 10.687 -4.113 3.545 1.00 0.00 C ATOM 1611 C GLY A 105 9.407 -4.067 4.356 1.00 0.00 C ATOM 1612 O GLY A 105 9.414 -3.660 5.518 1.00 0.00 O ATOM 0 H GLY A 105 10.709 -4.965 1.631 1.00 0.00 H new ATOM 0 HA2 GLY A 105 11.539 -4.185 4.221 1.00 0.00 H new ATOM 0 HA3 GLY A 105 10.797 -3.180 2.991 1.00 0.00 H new ATOM 1616 N PHE A 106 8.304 -4.484 3.743 1.00 0.00 N ATOM 1617 CA PHE A 106 7.010 -4.486 4.415 1.00 0.00 C ATOM 1618 C PHE A 106 6.994 -5.493 5.561 1.00 0.00 C ATOM 1619 O PHE A 106 6.528 -5.192 6.661 1.00 0.00 O ATOM 1620 CB PHE A 106 5.895 -4.812 3.419 1.00 0.00 C ATOM 1621 CG PHE A 106 5.738 -3.782 2.337 1.00 0.00 C ATOM 1622 CD1 PHE A 106 5.672 -2.434 2.649 1.00 0.00 C ATOM 1623 CD2 PHE A 106 5.657 -4.163 1.007 1.00 0.00 C ATOM 1624 CE1 PHE A 106 5.527 -1.485 1.655 1.00 0.00 C ATOM 1625 CE2 PHE A 106 5.513 -3.218 0.008 1.00 0.00 C ATOM 1626 CZ PHE A 106 5.449 -1.877 0.333 1.00 0.00 C ATOM 0 H PHE A 106 8.281 -4.825 2.782 1.00 0.00 H new ATOM 0 HA PHE A 106 6.841 -3.491 4.827 1.00 0.00 H new ATOM 0 HB2 PHE A 106 6.099 -5.780 2.961 1.00 0.00 H new ATOM 0 HB3 PHE A 106 4.953 -4.907 3.959 1.00 0.00 H new ATOM 0 HD1 PHE A 106 5.735 -2.121 3.681 1.00 0.00 H new ATOM 0 HD2 PHE A 106 5.707 -5.210 0.748 1.00 0.00 H new ATOM 0 HE1 PHE A 106 5.475 -0.437 1.912 1.00 0.00 H new ATOM 0 HE2 PHE A 106 5.451 -3.528 -1.025 1.00 0.00 H new ATOM 0 HZ PHE A 106 5.338 -1.136 -0.445 1.00 0.00 H new ATOM 1636 N LYS A 107 7.506 -6.690 5.296 1.00 0.00 N ATOM 1637 CA LYS A 107 7.552 -7.743 6.304 1.00 0.00 C ATOM 1638 C LYS A 107 8.240 -7.251 7.573 1.00 0.00 C ATOM 1639 O LYS A 107 7.807 -7.556 8.685 1.00 0.00 O ATOM 1640 CB LYS A 107 8.286 -8.969 5.756 1.00 0.00 C ATOM 1641 CG LYS A 107 7.887 -9.332 4.336 1.00 0.00 C ATOM 1642 CD LYS A 107 8.117 -10.807 4.052 1.00 0.00 C ATOM 1643 CE LYS A 107 8.440 -11.048 2.585 1.00 0.00 C ATOM 1644 NZ LYS A 107 9.907 -11.027 2.329 1.00 0.00 N ATOM 0 H LYS A 107 7.895 -6.955 4.391 1.00 0.00 H new ATOM 0 HA LYS A 107 6.527 -8.021 6.551 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.360 -8.783 5.787 1.00 0.00 H new ATOM 0 HB3 LYS A 107 8.091 -9.820 6.408 1.00 0.00 H new ATOM 0 HG2 LYS A 107 6.836 -9.090 4.179 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.461 -8.731 3.631 1.00 0.00 H new ATOM 0 HD2 LYS A 107 8.935 -11.175 4.671 1.00 0.00 H new ATOM 0 HD3 LYS A 107 7.228 -11.375 4.328 1.00 0.00 H new ATOM 0 HE2 LYS A 107 8.031 -12.010 2.277 1.00 0.00 H new ATOM 0 HE3 LYS A 107 7.954 -10.285 1.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.095 -10.549 1.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.386 -10.515 3.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 10.266 -12.002 2.286 1.00 0.00 H new ATOM 1658 N LYS A 108 9.314 -6.488 7.401 1.00 0.00 N ATOM 1659 CA LYS A 108 10.061 -5.951 8.532 1.00 0.00 C ATOM 1660 C LYS A 108 9.204 -4.982 9.340 1.00 0.00 C ATOM 1661 O LYS A 108 9.299 -4.927 10.566 1.00 0.00 O ATOM 1662 CB LYS A 108 11.327 -5.243 8.044 1.00 0.00 C ATOM 1663 CG LYS A 108 12.112 -6.040 7.016 1.00 0.00 C ATOM 1664 CD LYS A 108 13.599 -5.741 7.096 1.00 0.00 C ATOM 1665 CE LYS A 108 14.231 -6.382 8.323 1.00 0.00 C ATOM 1666 NZ LYS A 108 14.571 -7.812 8.088 1.00 0.00 N ATOM 0 H LYS A 108 9.687 -6.227 6.488 1.00 0.00 H new ATOM 0 HA LYS A 108 10.343 -6.784 9.177 1.00 0.00 H new ATOM 0 HB2 LYS A 108 11.052 -4.281 7.612 1.00 0.00 H new ATOM 0 HB3 LYS A 108 11.970 -5.036 8.899 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.945 -7.105 7.175 1.00 0.00 H new ATOM 0 HG3 LYS A 108 11.746 -5.806 6.016 1.00 0.00 H new ATOM 0 HD2 LYS A 108 14.094 -6.108 6.197 1.00 0.00 H new ATOM 0 HD3 LYS A 108 13.753 -4.662 7.127 1.00 0.00 H new ATOM 0 HE2 LYS A 108 15.133 -5.834 8.595 1.00 0.00 H new ATOM 0 HE3 LYS A 108 13.545 -6.306 9.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 14.999 -8.213 8.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 13.707 -8.340 7.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 15.245 -7.883 7.299 1.00 0.00 H new ATOM 1680 N PHE A 109 8.365 -4.220 8.645 1.00 0.00 N ATOM 1681 CA PHE A 109 7.490 -3.253 9.298 1.00 0.00 C ATOM 1682 C PHE A 109 6.332 -3.956 10.001 1.00 0.00 C ATOM 1683 O PHE A 109 5.988 -3.627 11.137 1.00 0.00 O ATOM 1684 CB PHE A 109 6.950 -2.251 8.276 1.00 0.00 C ATOM 1685 CG PHE A 109 6.085 -1.183 8.883 1.00 0.00 C ATOM 1686 CD1 PHE A 109 4.748 -1.426 9.152 1.00 0.00 C ATOM 1687 CD2 PHE A 109 6.610 0.063 9.185 1.00 0.00 C ATOM 1688 CE1 PHE A 109 3.949 -0.446 9.711 1.00 0.00 C ATOM 1689 CE2 PHE A 109 5.817 1.047 9.744 1.00 0.00 C ATOM 1690 CZ PHE A 109 4.484 0.793 10.006 1.00 0.00 C ATOM 0 H PHE A 109 8.273 -4.254 7.630 1.00 0.00 H new ATOM 0 HA PHE A 109 8.075 -2.718 10.046 1.00 0.00 H new ATOM 0 HB2 PHE A 109 7.788 -1.780 7.763 1.00 0.00 H new ATOM 0 HB3 PHE A 109 6.375 -2.788 7.521 1.00 0.00 H new ATOM 0 HD1 PHE A 109 4.325 -2.393 8.922 1.00 0.00 H new ATOM 0 HD2 PHE A 109 7.651 0.268 8.981 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.908 -0.649 9.917 1.00 0.00 H new ATOM 0 HE2 PHE A 109 6.239 2.014 9.976 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.862 1.562 10.440 1.00 0.00 H new ATOM 1700 N LEU A 110 5.734 -4.925 9.317 1.00 0.00 N ATOM 1701 CA LEU A 110 4.613 -5.675 9.873 1.00 0.00 C ATOM 1702 C LEU A 110 5.074 -6.576 11.014 1.00 0.00 C ATOM 1703 O LEU A 110 4.623 -6.435 12.150 1.00 0.00 O ATOM 1704 CB LEU A 110 3.944 -6.514 8.783 1.00 0.00 C ATOM 1705 CG LEU A 110 3.317 -5.735 7.627 1.00 0.00 C ATOM 1706 CD1 LEU A 110 2.920 -6.678 6.501 1.00 0.00 C ATOM 1707 CD2 LEU A 110 2.112 -4.941 8.110 1.00 0.00 C ATOM 0 H LEU A 110 6.007 -5.210 8.376 1.00 0.00 H new ATOM 0 HA LEU A 110 3.890 -4.961 10.268 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.686 -7.199 8.373 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.169 -7.124 9.246 1.00 0.00 H new ATOM 0 HG LEU A 110 4.058 -5.034 7.242 1.00 0.00 H new ATOM 0 HD11 LEU A 110 2.475 -6.106 5.687 1.00 0.00 H new ATOM 0 HD12 LEU A 110 3.804 -7.202 6.136 1.00 0.00 H new ATOM 0 HD13 LEU A 110 2.196 -7.403 6.872 1.00 0.00 H new ATOM 0 HD21 LEU A 110 1.679 -4.393 7.274 1.00 0.00 H new ATOM 0 HD22 LEU A 110 1.368 -5.623 8.521 1.00 0.00 H new ATOM 0 HD23 LEU A 110 2.425 -4.238 8.882 1.00 0.00 H new ATOM 1719 N GLU A 111 5.977 -7.501 10.703 1.00 0.00 N ATOM 1720 CA GLU A 111 6.500 -8.425 11.703 1.00 0.00 C ATOM 1721 C GLU A 111 6.676 -7.727 13.048 1.00 0.00 C ATOM 1722 O GLU A 111 6.452 -8.321 14.102 1.00 0.00 O ATOM 1723 CB GLU A 111 7.836 -9.010 11.240 1.00 0.00 C ATOM 1724 CG GLU A 111 7.690 -10.127 10.220 1.00 0.00 C ATOM 1725 CD GLU A 111 8.846 -11.107 10.261 1.00 0.00 C ATOM 1726 OE1 GLU A 111 8.827 -12.013 11.120 1.00 0.00 O ATOM 1727 OE2 GLU A 111 9.770 -10.968 9.432 1.00 0.00 O ATOM 0 H GLU A 111 6.361 -7.630 9.767 1.00 0.00 H new ATOM 0 HA GLU A 111 5.780 -9.235 11.825 1.00 0.00 H new ATOM 0 HB2 GLU A 111 8.442 -8.213 10.809 1.00 0.00 H new ATOM 0 HB3 GLU A 111 8.377 -9.389 12.107 1.00 0.00 H new ATOM 0 HG2 GLU A 111 6.758 -10.662 10.403 1.00 0.00 H new ATOM 0 HG3 GLU A 111 7.619 -9.696 9.222 1.00 0.00 H new ATOM 1734 N SER A 112 7.081 -6.461 13.003 1.00 0.00 N ATOM 1735 CA SER A 112 7.292 -5.682 14.217 1.00 0.00 C ATOM 1736 C SER A 112 5.966 -5.173 14.774 1.00 0.00 C ATOM 1737 O SER A 112 5.745 -5.178 15.984 1.00 0.00 O ATOM 1738 CB SER A 112 8.226 -4.504 13.936 1.00 0.00 C ATOM 1739 OG SER A 112 9.460 -4.948 13.399 1.00 0.00 O ATOM 0 H SER A 112 7.269 -5.954 12.138 1.00 0.00 H new ATOM 0 HA SER A 112 7.752 -6.332 14.961 1.00 0.00 H new ATOM 0 HB2 SER A 112 7.749 -3.816 13.238 1.00 0.00 H new ATOM 0 HB3 SER A 112 8.405 -3.950 14.858 1.00 0.00 H new ATOM 0 HG SER A 112 9.416 -4.930 12.420 1.00 0.00 H new ATOM 1745 N GLY A 113 5.086 -4.734 13.880 1.00 0.00 N ATOM 1746 CA GLY A 113 3.792 -4.227 14.300 1.00 0.00 C ATOM 1747 C GLY A 113 3.653 -2.735 14.074 1.00 0.00 C ATOM 1748 O GLY A 113 2.957 -2.049 14.822 1.00 0.00 O ATOM 0 H GLY A 113 5.245 -4.720 12.873 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.006 -4.749 13.754 1.00 0.00 H new ATOM 0 HA3 GLY A 113 3.645 -4.446 15.358 1.00 0.00 H new ATOM 1752 N GLY A 114 4.318 -2.230 13.039 1.00 0.00 N ATOM 1753 CA GLY A 114 4.253 -0.812 12.737 1.00 0.00 C ATOM 1754 C GLY A 114 4.728 0.049 13.891 1.00 0.00 C ATOM 1755 O GLY A 114 4.083 1.036 14.243 1.00 0.00 O ATOM 0 H GLY A 114 4.900 -2.777 12.405 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.861 -0.603 11.857 1.00 0.00 H new ATOM 0 HA3 GLY A 114 3.227 -0.544 12.486 1.00 0.00 H new