USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 855 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 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 68 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 54 GLN : amide:sc= -2.5 K(o=-1.5,f=-5.7!) USER MOD Set 2.2: A 102 TYR OH : rot -64:sc= 0.952 USER MOD Set 3.1: A 19 SER OG : rot -167:sc= -0.628 USER MOD Set 3.2: A 22 GLN : amide:sc= -0.657 X(o=-1.3,f=-0.83) USER MOD Single : A 9 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00141) USER MOD Single : A 12 THR OG1 : rot 39:sc= -0.0101 USER MOD Single : A 14 ASN : amide:sc= 0.00291 X(o=0.0029,f=0) USER MOD Single : A 20 MET CE :methyl -152:sc= -1.11 (180deg=-2.1!) USER MOD Single : A 25 ASN : amide:sc= -0.496 K(o=-0.5,f=-2.5!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0836) USER MOD Single : A 43 ASN : amide:sc= -5.44! C(o=-5.4!,f=-2.3!) USER MOD Single : A 44 ASN : amide:sc= -4.78! C(o=-4.8!,f=-6.7!) USER MOD Single : A 46 TYR OH : rot -166:sc= -4.73! USER MOD Single : A 47 SER OG : rot -160:sc=-0.00684 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -1.84! K(o=-1.8!,f=-0.23) USER MOD Single : A 53 THR OG1 : rot 59:sc= 0.717 USER MOD Single : A 61 LYS NZ :NH3+ -136:sc= 0.237 (180deg=-0.0141) USER MOD Single : A 62 ASN : amide:sc= 0.53 K(o=0.53,f=-5.1!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN : amide:sc= -0.298 X(o=-0.3,f=-0.3) USER MOD Single : A 81 ASN : amide:sc= -0.705 K(o=-0.7,f=-3.9!) USER MOD Single : A 82 GLN : amide:sc= -0.87 K(o=-0.87,f=-4.6!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 150:sc= -0.792 USER MOD Single : A 89 ASN : amide:sc= -1.03 X(o=-1,f=-1.1) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.13 X(o=-0.13,f=-0.59) USER MOD Single : A 97 THR OG1 : rot -67:sc= 1.08 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 168:sc= -0.0146 (180deg=-0.153) USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 140:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.612 USER MOD Single : A 128 GLN : amide:sc= -0.305 K(o=-0.3,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -10.346 13.013 -5.362 1.00 0.00 N ATOM 67 CA VAL A 8 -9.029 12.397 -5.472 1.00 0.00 C ATOM 68 C VAL A 8 -8.956 11.469 -6.680 1.00 0.00 C ATOM 69 O VAL A 8 -9.886 10.708 -6.950 1.00 0.00 O ATOM 70 CB VAL A 8 -8.675 11.599 -4.203 1.00 0.00 C ATOM 71 CG1 VAL A 8 -9.703 10.506 -3.955 1.00 0.00 C ATOM 72 CG2 VAL A 8 -7.277 11.010 -4.317 1.00 0.00 C ATOM 0 HA VAL A 8 -8.310 13.207 -5.595 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.690 12.279 -3.351 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.436 9.953 -3.054 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -10.688 10.955 -3.827 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.723 9.825 -4.806 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.043 10.450 -3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.232 10.343 -5.178 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.552 11.814 -4.443 1.00 0.00 H new ATOM 82 N LYS A 9 -7.843 11.535 -7.403 1.00 0.00 N ATOM 83 CA LYS A 9 -7.646 10.700 -8.582 1.00 0.00 C ATOM 84 C LYS A 9 -7.154 9.311 -8.188 1.00 0.00 C ATOM 85 O LYS A 9 -6.381 9.160 -7.242 1.00 0.00 O ATOM 86 CB LYS A 9 -6.644 11.356 -9.535 1.00 0.00 C ATOM 87 CG LYS A 9 -7.234 12.497 -10.346 1.00 0.00 C ATOM 88 CD LYS A 9 -6.426 12.762 -11.605 1.00 0.00 C ATOM 89 CE LYS A 9 -6.677 11.698 -12.663 1.00 0.00 C ATOM 90 NZ LYS A 9 -7.971 11.912 -13.369 1.00 0.00 N ATOM 0 H LYS A 9 -7.063 12.158 -7.193 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.606 10.597 -9.088 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.798 11.731 -8.958 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -6.255 10.600 -10.217 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.263 12.259 -10.616 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -7.266 13.400 -9.736 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -6.685 13.742 -12.005 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.365 12.788 -11.359 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.862 11.707 -13.387 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.677 10.714 -12.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.097 11.176 -14.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.752 11.862 -12.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.968 12.848 -13.823 1.00 0.00 H new ATOM 104 N PHE A 10 -7.607 8.298 -8.921 1.00 0.00 N ATOM 105 CA PHE A 10 -7.212 6.921 -8.648 1.00 0.00 C ATOM 106 C PHE A 10 -6.037 6.507 -9.529 1.00 0.00 C ATOM 107 O PHE A 10 -5.873 7.010 -10.641 1.00 0.00 O ATOM 108 CB PHE A 10 -8.393 5.975 -8.875 1.00 0.00 C ATOM 109 CG PHE A 10 -9.366 5.945 -7.732 1.00 0.00 C ATOM 110 CD1 PHE A 10 -10.253 6.990 -7.531 1.00 0.00 C ATOM 111 CD2 PHE A 10 -9.393 4.871 -6.856 1.00 0.00 C ATOM 112 CE1 PHE A 10 -11.150 6.966 -6.480 1.00 0.00 C ATOM 113 CE2 PHE A 10 -10.288 4.841 -5.803 1.00 0.00 C ATOM 114 CZ PHE A 10 -11.167 5.890 -5.614 1.00 0.00 C ATOM 0 H PHE A 10 -8.247 8.405 -9.708 1.00 0.00 H new ATOM 0 HA PHE A 10 -6.901 6.859 -7.605 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -8.919 6.275 -9.781 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -8.013 4.967 -9.045 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -10.243 7.834 -8.204 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -8.707 4.049 -6.998 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -11.837 7.787 -6.336 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -10.300 3.998 -5.128 1.00 0.00 H new ATOM 0 HZ PHE A 10 -11.866 5.869 -4.791 1.00 0.00 H new ATOM 124 N LEU A 11 -5.222 5.588 -9.024 1.00 0.00 N ATOM 125 CA LEU A 11 -4.061 5.105 -9.764 1.00 0.00 C ATOM 126 C LEU A 11 -3.130 6.257 -10.128 1.00 0.00 C ATOM 127 O LEU A 11 -2.520 6.263 -11.198 1.00 0.00 O ATOM 128 CB LEU A 11 -4.508 4.375 -11.032 1.00 0.00 C ATOM 129 CG LEU A 11 -5.173 3.014 -10.824 1.00 0.00 C ATOM 130 CD1 LEU A 11 -4.185 2.022 -10.232 1.00 0.00 C ATOM 131 CD2 LEU A 11 -6.397 3.150 -9.930 1.00 0.00 C ATOM 0 H LEU A 11 -5.343 5.162 -8.105 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.516 4.410 -9.125 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.203 5.018 -11.571 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -3.638 4.237 -11.674 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.497 2.637 -11.794 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.676 1.059 -10.091 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.340 1.902 -10.909 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.830 2.392 -9.270 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.858 2.172 -9.793 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.097 3.549 -8.961 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.114 3.827 -10.395 1.00 0.00 H new ATOM 143 N THR A 12 -3.024 7.232 -9.230 1.00 0.00 N ATOM 144 CA THR A 12 -2.167 8.389 -9.456 1.00 0.00 C ATOM 145 C THR A 12 -1.415 8.772 -8.186 1.00 0.00 C ATOM 146 O THR A 12 -2.020 8.982 -7.134 1.00 0.00 O ATOM 147 CB THR A 12 -2.979 9.603 -9.945 1.00 0.00 C ATOM 148 OG1 THR A 12 -4.105 9.816 -9.087 1.00 0.00 O ATOM 149 CG2 THR A 12 -3.456 9.395 -11.374 1.00 0.00 C ATOM 0 H THR A 12 -3.521 7.243 -8.339 1.00 0.00 H new ATOM 0 HA THR A 12 -1.451 8.106 -10.228 1.00 0.00 H new ATOM 0 HB THR A 12 -2.332 10.480 -9.919 1.00 0.00 H new ATOM 0 HG1 THR A 12 -3.846 9.642 -8.158 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.027 10.265 -11.697 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.595 9.262 -12.029 1.00 0.00 H new ATOM 0 HG23 THR A 12 -4.088 8.508 -11.421 1.00 0.00 H new ATOM 157 N VAL A 13 -0.093 8.863 -8.291 1.00 0.00 N ATOM 158 CA VAL A 13 0.741 9.223 -7.150 1.00 0.00 C ATOM 159 C VAL A 13 0.412 10.625 -6.650 1.00 0.00 C ATOM 160 O VAL A 13 0.609 11.610 -7.360 1.00 0.00 O ATOM 161 CB VAL A 13 2.238 9.155 -7.506 1.00 0.00 C ATOM 162 CG1 VAL A 13 3.082 9.719 -6.374 1.00 0.00 C ATOM 163 CG2 VAL A 13 2.645 7.724 -7.824 1.00 0.00 C ATOM 0 H VAL A 13 0.423 8.693 -9.154 1.00 0.00 H new ATOM 0 HA VAL A 13 0.529 8.500 -6.362 1.00 0.00 H new ATOM 0 HB VAL A 13 2.411 9.764 -8.394 1.00 0.00 H new ATOM 0 HG11 VAL A 13 4.137 9.663 -6.644 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.807 10.759 -6.199 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.908 9.140 -5.467 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.706 7.694 -8.073 1.00 0.00 H new ATOM 0 HG22 VAL A 13 2.458 7.091 -6.956 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.063 7.360 -8.671 1.00 0.00 H new ATOM 173 N ASN A 14 -0.090 10.707 -5.422 1.00 0.00 N ATOM 174 CA ASN A 14 -0.447 11.989 -4.826 1.00 0.00 C ATOM 175 C ASN A 14 0.715 12.553 -4.013 1.00 0.00 C ATOM 176 O ASN A 14 1.060 12.025 -2.956 1.00 0.00 O ATOM 177 CB ASN A 14 -1.680 11.835 -3.934 1.00 0.00 C ATOM 178 CG ASN A 14 -2.742 10.953 -4.563 1.00 0.00 C ATOM 179 OD1 ASN A 14 -3.513 11.400 -5.412 1.00 0.00 O ATOM 180 ND2 ASN A 14 -2.786 9.693 -4.147 1.00 0.00 N ATOM 0 H ASN A 14 -0.259 9.901 -4.820 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.675 12.685 -5.633 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -1.381 11.411 -2.975 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.103 12.819 -3.730 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.479 9.052 -4.534 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -2.127 9.366 -3.441 1.00 0.00 H new ATOM 187 N ASP A 15 1.313 13.628 -4.514 1.00 0.00 N ATOM 188 CA ASP A 15 2.435 14.265 -3.835 1.00 0.00 C ATOM 189 C ASP A 15 2.255 14.210 -2.321 1.00 0.00 C ATOM 190 O ASP A 15 3.168 13.823 -1.591 1.00 0.00 O ATOM 191 CB ASP A 15 2.578 15.717 -4.292 1.00 0.00 C ATOM 192 CG ASP A 15 2.999 15.829 -5.744 1.00 0.00 C ATOM 193 OD1 ASP A 15 4.002 15.187 -6.122 1.00 0.00 O ATOM 194 OD2 ASP A 15 2.326 16.557 -6.502 1.00 0.00 O ATOM 0 H ASP A 15 1.039 14.077 -5.388 1.00 0.00 H new ATOM 0 HA ASP A 15 3.342 13.720 -4.095 1.00 0.00 H new ATOM 0 HB2 ASP A 15 1.629 16.234 -4.151 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.312 16.222 -3.664 1.00 0.00 H new ATOM 199 N ASP A 16 1.074 14.601 -1.856 1.00 0.00 N ATOM 200 CA ASP A 16 0.774 14.597 -0.429 1.00 0.00 C ATOM 201 C ASP A 16 1.361 13.361 0.246 1.00 0.00 C ATOM 202 O ASP A 16 0.823 12.260 0.122 1.00 0.00 O ATOM 203 CB ASP A 16 -0.738 14.647 -0.204 1.00 0.00 C ATOM 204 CG ASP A 16 -1.288 16.058 -0.277 1.00 0.00 C ATOM 205 OD1 ASP A 16 -1.232 16.770 0.747 1.00 0.00 O ATOM 206 OD2 ASP A 16 -1.775 16.450 -1.358 1.00 0.00 O ATOM 0 H ASP A 16 0.308 14.925 -2.447 1.00 0.00 H new ATOM 0 HA ASP A 16 1.229 15.482 0.016 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.234 14.028 -0.951 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.972 14.219 0.771 1.00 0.00 H new ATOM 211 N ILE A 17 2.467 13.551 0.958 1.00 0.00 N ATOM 212 CA ILE A 17 3.126 12.452 1.652 1.00 0.00 C ATOM 213 C ILE A 17 2.413 12.120 2.958 1.00 0.00 C ATOM 214 O ILE A 17 2.082 13.010 3.742 1.00 0.00 O ATOM 215 CB ILE A 17 4.600 12.780 1.954 1.00 0.00 C ATOM 216 CG1 ILE A 17 4.696 14.024 2.841 1.00 0.00 C ATOM 217 CG2 ILE A 17 5.373 12.984 0.660 1.00 0.00 C ATOM 218 CD1 ILE A 17 6.118 14.465 3.110 1.00 0.00 C ATOM 0 H ILE A 17 2.925 14.456 1.069 1.00 0.00 H new ATOM 0 HA ILE A 17 3.083 11.589 0.988 1.00 0.00 H new ATOM 0 HB ILE A 17 5.042 11.940 2.489 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.154 14.842 2.366 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.201 13.822 3.791 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.413 13.215 0.890 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.327 12.074 0.062 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.933 13.809 0.100 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.110 15.351 3.744 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.659 13.663 3.613 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.611 14.699 2.166 1.00 0.00 H new ATOM 230 N LEU A 18 2.179 10.832 3.187 1.00 0.00 N ATOM 231 CA LEU A 18 1.506 10.380 4.400 1.00 0.00 C ATOM 232 C LEU A 18 1.948 8.969 4.774 1.00 0.00 C ATOM 233 O LEU A 18 2.165 8.125 3.905 1.00 0.00 O ATOM 234 CB LEU A 18 -0.011 10.419 4.209 1.00 0.00 C ATOM 235 CG LEU A 18 -0.655 11.806 4.222 1.00 0.00 C ATOM 236 CD1 LEU A 18 -2.137 11.710 3.894 1.00 0.00 C ATOM 237 CD2 LEU A 18 -0.447 12.478 5.571 1.00 0.00 C ATOM 0 H LEU A 18 2.445 10.082 2.549 1.00 0.00 H new ATOM 0 HA LEU A 18 1.781 11.053 5.212 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.250 9.939 3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.471 9.820 4.994 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.174 12.416 3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.578 12.707 3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.263 11.271 2.904 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.634 11.083 4.634 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.912 13.464 5.562 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.900 11.870 6.354 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.621 12.582 5.765 1.00 0.00 H new ATOM 249 N SER A 19 2.076 8.720 6.074 1.00 0.00 N ATOM 250 CA SER A 19 2.493 7.411 6.564 1.00 0.00 C ATOM 251 C SER A 19 1.529 6.324 6.097 1.00 0.00 C ATOM 252 O SER A 19 0.461 6.616 5.560 1.00 0.00 O ATOM 253 CB SER A 19 2.572 7.417 8.091 1.00 0.00 C ATOM 254 OG SER A 19 1.279 7.463 8.669 1.00 0.00 O ATOM 0 H SER A 19 1.897 9.407 6.806 1.00 0.00 H new ATOM 0 HA SER A 19 3.481 7.195 6.157 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.096 6.525 8.435 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.154 8.276 8.425 1.00 0.00 H new ATOM 0 HG SER A 19 1.355 7.672 9.623 1.00 0.00 H new ATOM 260 N MET A 20 1.916 5.070 6.305 1.00 0.00 N ATOM 261 CA MET A 20 1.087 3.939 5.907 1.00 0.00 C ATOM 262 C MET A 20 -0.297 4.030 6.541 1.00 0.00 C ATOM 263 O MET A 20 -1.323 3.937 5.866 1.00 0.00 O ATOM 264 CB MET A 20 1.757 2.622 6.305 1.00 0.00 C ATOM 265 CG MET A 20 1.528 1.498 5.309 1.00 0.00 C ATOM 266 SD MET A 20 0.056 0.527 5.684 1.00 0.00 S ATOM 267 CE MET A 20 -0.398 -0.045 4.048 1.00 0.00 C ATOM 0 H MET A 20 2.798 4.812 6.747 1.00 0.00 H new ATOM 0 HA MET A 20 0.974 3.968 4.823 1.00 0.00 H new ATOM 0 HB2 MET A 20 2.829 2.788 6.413 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.382 2.314 7.281 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.436 1.918 4.308 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.399 0.842 5.301 1.00 0.00 H new ATOM 0 HE1 MET A 20 -1.475 -0.211 4.006 1.00 0.00 H new ATOM 0 HE2 MET A 20 -0.118 0.706 3.309 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.121 -0.979 3.832 1.00 0.00 H new ATOM 277 N PRO A 21 -0.330 4.215 7.869 1.00 0.00 N ATOM 278 CA PRO A 21 -1.583 4.323 8.623 1.00 0.00 C ATOM 279 C PRO A 21 -2.329 5.619 8.325 1.00 0.00 C ATOM 280 O PRO A 21 -3.459 5.812 8.772 1.00 0.00 O ATOM 281 CB PRO A 21 -1.123 4.294 10.082 1.00 0.00 C ATOM 282 CG PRO A 21 0.279 4.798 10.047 1.00 0.00 C ATOM 283 CD PRO A 21 0.853 4.334 8.737 1.00 0.00 C ATOM 0 HA PRO A 21 -2.283 3.527 8.367 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -1.755 4.924 10.709 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -1.171 3.285 10.492 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.305 5.885 10.121 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.855 4.407 10.886 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.573 5.048 8.339 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.373 3.381 8.841 1.00 0.00 H new ATOM 291 N GLN A 22 -1.689 6.504 7.567 1.00 0.00 N ATOM 292 CA GLN A 22 -2.294 7.782 7.210 1.00 0.00 C ATOM 293 C GLN A 22 -2.818 7.755 5.778 1.00 0.00 C ATOM 294 O GLN A 22 -3.827 8.387 5.465 1.00 0.00 O ATOM 295 CB GLN A 22 -1.277 8.914 7.372 1.00 0.00 C ATOM 296 CG GLN A 22 -1.226 9.488 8.779 1.00 0.00 C ATOM 297 CD GLN A 22 -0.498 10.817 8.840 1.00 0.00 C ATOM 298 OE1 GLN A 22 -1.098 11.854 9.125 1.00 0.00 O ATOM 299 NE2 GLN A 22 0.802 10.793 8.573 1.00 0.00 N ATOM 0 H GLN A 22 -0.753 6.360 7.189 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.134 7.958 7.882 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -0.288 8.544 7.103 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.520 9.713 6.671 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.242 9.617 9.152 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.732 8.776 9.440 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.259 9.911 8.341 1.00 0.00 H new ATOM 0 HE22 GLN A 22 1.344 11.657 8.599 1.00 0.00 H new ATOM 308 N ALA A 23 -2.127 7.020 4.914 1.00 0.00 N ATOM 309 CA ALA A 23 -2.525 6.910 3.516 1.00 0.00 C ATOM 310 C ALA A 23 -3.756 6.023 3.363 1.00 0.00 C ATOM 311 O ALA A 23 -4.826 6.493 2.975 1.00 0.00 O ATOM 312 CB ALA A 23 -1.374 6.366 2.681 1.00 0.00 C ATOM 0 H ALA A 23 -1.289 6.492 5.157 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.781 7.907 3.158 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.685 6.289 1.639 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.520 7.039 2.756 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.092 5.380 3.049 1.00 0.00 H new ATOM 318 N ARG A 24 -3.598 4.740 3.671 1.00 0.00 N ATOM 319 CA ARG A 24 -4.697 3.788 3.566 1.00 0.00 C ATOM 320 C ARG A 24 -5.978 4.370 4.155 1.00 0.00 C ATOM 321 O ARG A 24 -7.076 4.099 3.669 1.00 0.00 O ATOM 322 CB ARG A 24 -4.340 2.484 4.282 1.00 0.00 C ATOM 323 CG ARG A 24 -4.115 2.651 5.776 1.00 0.00 C ATOM 324 CD ARG A 24 -3.404 1.446 6.370 1.00 0.00 C ATOM 325 NE ARG A 24 -4.344 0.424 6.823 1.00 0.00 N ATOM 326 CZ ARG A 24 -5.043 0.515 7.949 1.00 0.00 C ATOM 327 NH1 ARG A 24 -4.908 1.575 8.733 1.00 0.00 N ATOM 328 NH2 ARG A 24 -5.879 -0.457 8.293 1.00 0.00 N ATOM 0 H ARG A 24 -2.719 4.336 3.995 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.865 3.580 2.509 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.140 1.761 4.122 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.439 2.067 3.832 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.525 3.549 5.958 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.073 2.792 6.276 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.734 1.017 5.625 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.786 1.767 7.208 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.471 -0.405 6.243 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.266 2.324 8.472 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.446 1.642 9.597 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.985 -1.275 7.693 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.415 -0.386 9.158 1.00 0.00 H new ATOM 342 N ASN A 25 -5.830 5.171 5.205 1.00 0.00 N ATOM 343 CA ASN A 25 -6.976 5.791 5.862 1.00 0.00 C ATOM 344 C ASN A 25 -7.615 6.844 4.961 1.00 0.00 C ATOM 345 O ASN A 25 -8.831 7.032 4.975 1.00 0.00 O ATOM 346 CB ASN A 25 -6.549 6.427 7.186 1.00 0.00 C ATOM 347 CG ASN A 25 -6.658 5.464 8.352 1.00 0.00 C ATOM 348 OD1 ASN A 25 -7.219 4.375 8.222 1.00 0.00 O ATOM 349 ND2 ASN A 25 -6.121 5.861 9.500 1.00 0.00 N ATOM 0 H ASN A 25 -4.928 5.406 5.619 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.713 5.014 6.062 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.520 6.777 7.103 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.169 7.302 7.382 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.164 5.255 10.319 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.666 6.772 9.562 1.00 0.00 H new ATOM 356 N PHE A 26 -6.786 7.527 4.179 1.00 0.00 N ATOM 357 CA PHE A 26 -7.269 8.562 3.272 1.00 0.00 C ATOM 358 C PHE A 26 -7.994 7.945 2.080 1.00 0.00 C ATOM 359 O PHE A 26 -9.182 8.190 1.866 1.00 0.00 O ATOM 360 CB PHE A 26 -6.104 9.426 2.784 1.00 0.00 C ATOM 361 CG PHE A 26 -6.509 10.462 1.774 1.00 0.00 C ATOM 362 CD1 PHE A 26 -6.727 10.111 0.452 1.00 0.00 C ATOM 363 CD2 PHE A 26 -6.672 11.786 2.147 1.00 0.00 C ATOM 364 CE1 PHE A 26 -7.098 11.062 -0.480 1.00 0.00 C ATOM 365 CE2 PHE A 26 -7.043 12.742 1.221 1.00 0.00 C ATOM 366 CZ PHE A 26 -7.258 12.379 -0.094 1.00 0.00 C ATOM 0 H PHE A 26 -5.777 7.383 4.155 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.974 9.189 3.818 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.647 9.923 3.640 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.342 8.781 2.346 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.606 9.082 0.146 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.507 12.075 3.175 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -7.263 10.776 -1.508 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -7.165 13.771 1.525 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.551 13.123 -0.820 1.00 0.00 H new ATOM 376 N CYS A 27 -7.271 7.143 1.306 1.00 0.00 N ATOM 377 CA CYS A 27 -7.842 6.490 0.134 1.00 0.00 C ATOM 378 C CYS A 27 -9.211 5.896 0.456 1.00 0.00 C ATOM 379 O CYS A 27 -10.114 5.903 -0.380 1.00 0.00 O ATOM 380 CB CYS A 27 -6.904 5.394 -0.373 1.00 0.00 C ATOM 381 SG CYS A 27 -5.490 6.014 -1.340 1.00 0.00 S ATOM 0 H CYS A 27 -6.287 6.929 1.470 1.00 0.00 H new ATOM 0 HA CYS A 27 -7.966 7.241 -0.646 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.527 4.830 0.480 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.474 4.699 -0.989 1.00 0.00 H new ATOM 386 N ALA A 28 -9.355 5.383 1.673 1.00 0.00 N ATOM 387 CA ALA A 28 -10.612 4.787 2.107 1.00 0.00 C ATOM 388 C ALA A 28 -11.686 5.852 2.304 1.00 0.00 C ATOM 389 O ALA A 28 -12.813 5.706 1.832 1.00 0.00 O ATOM 390 CB ALA A 28 -10.407 3.997 3.391 1.00 0.00 C ATOM 0 H ALA A 28 -8.616 5.368 2.376 1.00 0.00 H new ATOM 0 HA ALA A 28 -10.951 4.107 1.326 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -11.354 3.558 3.703 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.679 3.204 3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.041 4.662 4.173 1.00 0.00 H new ATOM 396 N SER A 29 -11.328 6.923 3.006 1.00 0.00 N ATOM 397 CA SER A 29 -12.262 8.011 3.270 1.00 0.00 C ATOM 398 C SER A 29 -12.859 8.542 1.970 1.00 0.00 C ATOM 399 O SER A 29 -14.022 8.941 1.925 1.00 0.00 O ATOM 400 CB SER A 29 -11.560 9.143 4.022 1.00 0.00 C ATOM 401 OG SER A 29 -12.439 10.233 4.238 1.00 0.00 O ATOM 0 H SER A 29 -10.398 7.060 3.402 1.00 0.00 H new ATOM 0 HA SER A 29 -13.071 7.621 3.888 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.191 8.774 4.979 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.692 9.478 3.454 1.00 0.00 H new ATOM 0 HG SER A 29 -11.967 10.943 4.722 1.00 0.00 H new ATOM 407 N ALA A 30 -12.053 8.543 0.913 1.00 0.00 N ATOM 408 CA ALA A 30 -12.500 9.022 -0.389 1.00 0.00 C ATOM 409 C ALA A 30 -13.412 8.004 -1.065 1.00 0.00 C ATOM 410 O ALA A 30 -14.301 8.366 -1.834 1.00 0.00 O ATOM 411 CB ALA A 30 -11.304 9.335 -1.276 1.00 0.00 C ATOM 0 H ALA A 30 -11.087 8.217 0.933 1.00 0.00 H new ATOM 0 HA ALA A 30 -13.072 9.937 -0.235 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.653 9.692 -2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.693 10.105 -0.805 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.708 8.433 -1.415 1.00 0.00 H new ATOM 417 N GLY A 31 -13.184 6.727 -0.774 1.00 0.00 N ATOM 418 CA GLY A 31 -13.992 5.676 -1.363 1.00 0.00 C ATOM 419 C GLY A 31 -13.169 4.704 -2.186 1.00 0.00 C ATOM 420 O GLY A 31 -13.615 4.233 -3.232 1.00 0.00 O ATOM 0 H GLY A 31 -12.454 6.402 -0.141 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -14.507 5.132 -0.572 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -14.760 6.123 -1.995 1.00 0.00 H new ATOM 424 N GLY A 32 -11.963 4.405 -1.714 1.00 0.00 N ATOM 425 CA GLY A 32 -11.095 3.486 -2.427 1.00 0.00 C ATOM 426 C GLY A 32 -10.160 2.735 -1.500 1.00 0.00 C ATOM 427 O GLY A 32 -10.436 2.595 -0.309 1.00 0.00 O ATOM 0 H GLY A 32 -11.572 4.782 -0.851 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.704 2.771 -2.981 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.508 4.040 -3.160 1.00 0.00 H new ATOM 431 N TYR A 33 -9.051 2.249 -2.048 1.00 0.00 N ATOM 432 CA TYR A 33 -8.074 1.504 -1.263 1.00 0.00 C ATOM 433 C TYR A 33 -6.717 1.483 -1.960 1.00 0.00 C ATOM 434 O TYR A 33 -6.636 1.507 -3.188 1.00 0.00 O ATOM 435 CB TYR A 33 -8.561 0.073 -1.028 1.00 0.00 C ATOM 436 CG TYR A 33 -8.837 -0.690 -2.304 1.00 0.00 C ATOM 437 CD1 TYR A 33 -10.027 -0.510 -3.000 1.00 0.00 C ATOM 438 CD2 TYR A 33 -7.910 -1.590 -2.814 1.00 0.00 C ATOM 439 CE1 TYR A 33 -10.284 -1.205 -4.166 1.00 0.00 C ATOM 440 CE2 TYR A 33 -8.158 -2.288 -3.980 1.00 0.00 C ATOM 441 CZ TYR A 33 -9.346 -2.092 -4.652 1.00 0.00 C ATOM 442 OH TYR A 33 -9.598 -2.787 -5.813 1.00 0.00 O ATOM 0 H TYR A 33 -8.807 2.358 -3.032 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.961 2.005 -0.301 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -7.812 -0.466 -0.447 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -9.470 0.102 -0.428 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.763 0.185 -2.623 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.979 -1.747 -2.290 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -11.214 -1.055 -4.694 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -7.426 -2.983 -4.363 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.836 -3.369 -6.018 1.00 0.00 H new ATOM 452 N LEU A 34 -5.653 1.438 -1.166 1.00 0.00 N ATOM 453 CA LEU A 34 -4.297 1.413 -1.704 1.00 0.00 C ATOM 454 C LEU A 34 -4.223 0.540 -2.953 1.00 0.00 C ATOM 455 O LEU A 34 -4.871 -0.503 -3.032 1.00 0.00 O ATOM 456 CB LEU A 34 -3.317 0.898 -0.649 1.00 0.00 C ATOM 457 CG LEU A 34 -2.876 1.911 0.408 1.00 0.00 C ATOM 458 CD1 LEU A 34 -2.098 1.220 1.518 1.00 0.00 C ATOM 459 CD2 LEU A 34 -2.040 3.014 -0.225 1.00 0.00 C ATOM 0 H LEU A 34 -5.703 1.418 -0.147 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.023 2.432 -1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.774 0.049 -0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.429 0.524 -1.159 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.767 2.363 0.844 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.792 1.957 2.261 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.729 0.468 1.991 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.214 0.740 1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.735 3.726 0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.155 2.579 -0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.631 3.529 -0.983 1.00 0.00 H new ATOM 471 N ALA A 35 -3.427 0.973 -3.925 1.00 0.00 N ATOM 472 CA ALA A 35 -3.265 0.228 -5.168 1.00 0.00 C ATOM 473 C ALA A 35 -2.249 -0.897 -5.005 1.00 0.00 C ATOM 474 O ALA A 35 -1.059 -0.649 -4.807 1.00 0.00 O ATOM 475 CB ALA A 35 -2.844 1.163 -6.292 1.00 0.00 C ATOM 0 H ALA A 35 -2.884 1.835 -3.876 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.226 -0.220 -5.423 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.727 0.594 -7.214 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.607 1.929 -6.433 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.897 1.637 -6.035 1.00 0.00 H new ATOM 481 N ASP A 36 -2.725 -2.134 -5.088 1.00 0.00 N ATOM 482 CA ASP A 36 -1.858 -3.299 -4.950 1.00 0.00 C ATOM 483 C ASP A 36 -1.007 -3.494 -6.201 1.00 0.00 C ATOM 484 O ASP A 36 -1.299 -2.931 -7.257 1.00 0.00 O ATOM 485 CB ASP A 36 -2.691 -4.553 -4.684 1.00 0.00 C ATOM 486 CG ASP A 36 -3.836 -4.706 -5.665 1.00 0.00 C ATOM 487 OD1 ASP A 36 -3.716 -4.203 -6.802 1.00 0.00 O ATOM 488 OD2 ASP A 36 -4.853 -5.330 -5.296 1.00 0.00 O ATOM 0 H ASP A 36 -3.707 -2.357 -5.250 1.00 0.00 H new ATOM 0 HA ASP A 36 -1.193 -3.128 -4.103 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.048 -5.431 -4.741 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -3.088 -4.513 -3.670 1.00 0.00 H new ATOM 493 N ASP A 37 0.046 -4.294 -6.076 1.00 0.00 N ATOM 494 CA ASP A 37 0.940 -4.563 -7.196 1.00 0.00 C ATOM 495 C ASP A 37 1.085 -6.064 -7.426 1.00 0.00 C ATOM 496 O ASP A 37 2.104 -6.661 -7.076 1.00 0.00 O ATOM 497 CB ASP A 37 2.313 -3.938 -6.943 1.00 0.00 C ATOM 498 CG ASP A 37 2.279 -2.424 -7.001 1.00 0.00 C ATOM 499 OD1 ASP A 37 1.210 -1.843 -6.718 1.00 0.00 O ATOM 500 OD2 ASP A 37 3.321 -1.820 -7.329 1.00 0.00 O ATOM 0 H ASP A 37 0.302 -4.768 -5.210 1.00 0.00 H new ATOM 0 HA ASP A 37 0.506 -4.116 -8.091 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.678 -4.253 -5.965 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.021 -4.311 -7.683 1.00 0.00 H new ATOM 505 N LEU A 38 0.059 -6.669 -8.016 1.00 0.00 N ATOM 506 CA LEU A 38 0.072 -8.101 -8.292 1.00 0.00 C ATOM 507 C LEU A 38 -0.159 -8.372 -9.776 1.00 0.00 C ATOM 508 O LEU A 38 -1.298 -8.442 -10.234 1.00 0.00 O ATOM 509 CB LEU A 38 -0.998 -8.810 -7.460 1.00 0.00 C ATOM 510 CG LEU A 38 -2.394 -8.187 -7.490 1.00 0.00 C ATOM 511 CD1 LEU A 38 -3.452 -9.231 -7.169 1.00 0.00 C ATOM 512 CD2 LEU A 38 -2.479 -7.022 -6.515 1.00 0.00 C ATOM 0 H LEU A 38 -0.792 -6.190 -8.312 1.00 0.00 H new ATOM 0 HA LEU A 38 1.053 -8.490 -8.019 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.075 -9.841 -7.806 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.660 -8.845 -6.424 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.580 -7.808 -8.495 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.439 -8.769 -7.195 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.407 -10.033 -7.906 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.269 -9.641 -6.176 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.479 -6.591 -6.550 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.272 -7.377 -5.505 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.747 -6.263 -6.790 1.00 0.00 H new ATOM 524 N GLY A 39 0.932 -8.525 -10.521 1.00 0.00 N ATOM 525 CA GLY A 39 0.827 -8.789 -11.944 1.00 0.00 C ATOM 526 C GLY A 39 1.710 -7.874 -12.769 1.00 0.00 C ATOM 527 O GLY A 39 1.716 -6.659 -12.569 1.00 0.00 O ATOM 0 H GLY A 39 1.886 -8.471 -10.164 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.100 -9.826 -12.139 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.210 -8.668 -12.257 1.00 0.00 H new ATOM 531 N ASP A 40 2.459 -8.458 -13.698 1.00 0.00 N ATOM 532 CA ASP A 40 3.351 -7.687 -14.557 1.00 0.00 C ATOM 533 C ASP A 40 2.631 -6.473 -15.138 1.00 0.00 C ATOM 534 O ASP A 40 3.250 -5.445 -15.412 1.00 0.00 O ATOM 535 CB ASP A 40 3.890 -8.565 -15.687 1.00 0.00 C ATOM 536 CG ASP A 40 5.183 -9.261 -15.313 1.00 0.00 C ATOM 537 OD1 ASP A 40 5.194 -9.989 -14.298 1.00 0.00 O ATOM 538 OD2 ASP A 40 6.185 -9.079 -16.035 1.00 0.00 O ATOM 0 H ASP A 40 2.466 -9.462 -13.876 1.00 0.00 H new ATOM 0 HA ASP A 40 4.186 -7.336 -13.951 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.142 -9.312 -15.951 1.00 0.00 H new ATOM 0 HB3 ASP A 40 4.054 -7.952 -16.573 1.00 0.00 H new ATOM 543 N ASP A 41 1.322 -6.601 -15.323 1.00 0.00 N ATOM 544 CA ASP A 41 0.518 -5.515 -15.872 1.00 0.00 C ATOM 545 C ASP A 41 0.323 -4.408 -14.839 1.00 0.00 C ATOM 546 O ASP A 41 0.219 -3.232 -15.186 1.00 0.00 O ATOM 547 CB ASP A 41 -0.841 -6.041 -16.336 1.00 0.00 C ATOM 548 CG ASP A 41 -1.451 -5.185 -17.427 1.00 0.00 C ATOM 549 OD1 ASP A 41 -0.814 -5.034 -18.490 1.00 0.00 O ATOM 550 OD2 ASP A 41 -2.568 -4.666 -17.218 1.00 0.00 O ATOM 0 H ASP A 41 0.795 -7.446 -15.101 1.00 0.00 H new ATOM 0 HA ASP A 41 1.049 -5.100 -16.728 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.727 -7.062 -16.700 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.522 -6.080 -15.486 1.00 0.00 H new ATOM 555 N LYS A 42 0.274 -4.794 -13.569 1.00 0.00 N ATOM 556 CA LYS A 42 0.092 -3.836 -12.485 1.00 0.00 C ATOM 557 C LYS A 42 1.431 -3.262 -12.035 1.00 0.00 C ATOM 558 O LYS A 42 1.506 -2.124 -11.575 1.00 0.00 O ATOM 559 CB LYS A 42 -0.613 -4.502 -11.301 1.00 0.00 C ATOM 560 CG LYS A 42 -1.468 -3.547 -10.486 1.00 0.00 C ATOM 561 CD LYS A 42 -2.799 -3.272 -11.165 1.00 0.00 C ATOM 562 CE LYS A 42 -3.403 -1.958 -10.696 1.00 0.00 C ATOM 563 NZ LYS A 42 -4.635 -1.610 -11.457 1.00 0.00 N ATOM 0 H LYS A 42 0.358 -5.764 -13.265 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.527 -3.019 -12.856 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.241 -5.312 -11.672 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.136 -4.952 -10.649 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.644 -3.969 -9.496 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.931 -2.609 -10.342 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.658 -3.244 -12.246 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.491 -4.087 -10.955 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.639 -2.026 -9.634 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.669 -1.160 -10.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.732 -0.576 -11.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.570 -1.998 -12.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.465 -2.013 -10.977 1.00 0.00 H new ATOM 577 N ASN A 43 2.487 -4.058 -12.172 1.00 0.00 N ATOM 578 CA ASN A 43 3.824 -3.628 -11.780 1.00 0.00 C ATOM 579 C ASN A 43 4.446 -2.738 -12.852 1.00 0.00 C ATOM 580 O ASN A 43 4.936 -1.648 -12.561 1.00 0.00 O ATOM 581 CB ASN A 43 4.720 -4.843 -11.527 1.00 0.00 C ATOM 582 CG ASN A 43 6.187 -4.471 -11.436 1.00 0.00 C ATOM 583 OD1 ASN A 43 6.794 -4.551 -10.368 1.00 0.00 O ATOM 584 ND2 ASN A 43 6.764 -4.061 -12.559 1.00 0.00 N ATOM 0 H ASN A 43 2.442 -5.004 -12.551 1.00 0.00 H new ATOM 0 HA ASN A 43 3.737 -3.051 -10.859 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.414 -5.330 -10.601 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.581 -5.567 -12.330 1.00 0.00 H new ATOM 0 HD21 ASN A 43 7.749 -3.797 -12.559 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.222 -4.010 -13.422 1.00 0.00 H new ATOM 591 N ASN A 44 4.421 -3.212 -14.094 1.00 0.00 N ATOM 592 CA ASN A 44 4.982 -2.459 -15.210 1.00 0.00 C ATOM 593 C ASN A 44 4.232 -1.146 -15.412 1.00 0.00 C ATOM 594 O ASN A 44 4.759 -0.202 -16.000 1.00 0.00 O ATOM 595 CB ASN A 44 4.928 -3.293 -16.492 1.00 0.00 C ATOM 596 CG ASN A 44 3.635 -3.092 -17.259 1.00 0.00 C ATOM 597 OD1 ASN A 44 3.277 -1.968 -17.609 1.00 0.00 O ATOM 598 ND2 ASN A 44 2.928 -4.185 -17.522 1.00 0.00 N ATOM 0 H ASN A 44 4.019 -4.113 -14.352 1.00 0.00 H new ATOM 0 HA ASN A 44 6.022 -2.230 -14.976 1.00 0.00 H new ATOM 0 HB2 ASN A 44 5.771 -3.028 -17.130 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.038 -4.348 -16.241 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.049 -4.113 -18.034 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.264 -5.097 -17.212 1.00 0.00 H new ATOM 605 N PHE A 45 2.998 -1.094 -14.921 1.00 0.00 N ATOM 606 CA PHE A 45 2.175 0.103 -15.048 1.00 0.00 C ATOM 607 C PHE A 45 2.607 1.169 -14.045 1.00 0.00 C ATOM 608 O PHE A 45 2.715 2.348 -14.384 1.00 0.00 O ATOM 609 CB PHE A 45 0.699 -0.243 -14.837 1.00 0.00 C ATOM 610 CG PHE A 45 -0.151 0.946 -14.490 1.00 0.00 C ATOM 611 CD1 PHE A 45 -0.427 1.917 -15.438 1.00 0.00 C ATOM 612 CD2 PHE A 45 -0.674 1.092 -13.215 1.00 0.00 C ATOM 613 CE1 PHE A 45 -1.210 3.012 -15.122 1.00 0.00 C ATOM 614 CE2 PHE A 45 -1.457 2.184 -12.893 1.00 0.00 C ATOM 615 CZ PHE A 45 -1.725 3.146 -13.848 1.00 0.00 C ATOM 0 H PHE A 45 2.546 -1.867 -14.432 1.00 0.00 H new ATOM 0 HA PHE A 45 2.308 0.500 -16.054 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.309 -0.706 -15.743 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.618 -0.983 -14.041 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.026 1.818 -16.436 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.467 0.344 -12.464 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -1.419 3.762 -15.871 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.859 2.286 -11.896 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.336 4.001 -13.598 1.00 0.00 H new ATOM 625 N TYR A 46 2.854 0.746 -12.811 1.00 0.00 N ATOM 626 CA TYR A 46 3.271 1.664 -11.757 1.00 0.00 C ATOM 627 C TYR A 46 4.652 2.242 -12.054 1.00 0.00 C ATOM 628 O TYR A 46 4.871 3.447 -11.938 1.00 0.00 O ATOM 629 CB TYR A 46 3.285 0.950 -10.405 1.00 0.00 C ATOM 630 CG TYR A 46 1.906 0.622 -9.879 1.00 0.00 C ATOM 631 CD1 TYR A 46 0.925 1.602 -9.787 1.00 0.00 C ATOM 632 CD2 TYR A 46 1.583 -0.668 -9.476 1.00 0.00 C ATOM 633 CE1 TYR A 46 -0.336 1.307 -9.306 1.00 0.00 C ATOM 634 CE2 TYR A 46 0.324 -0.972 -8.995 1.00 0.00 C ATOM 635 CZ TYR A 46 -0.632 0.019 -8.912 1.00 0.00 C ATOM 636 OH TYR A 46 -1.887 -0.279 -8.434 1.00 0.00 O ATOM 0 H TYR A 46 2.773 -0.227 -12.515 1.00 0.00 H new ATOM 0 HA TYR A 46 2.554 2.484 -11.719 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.859 0.028 -10.497 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.802 1.576 -9.678 1.00 0.00 H new ATOM 0 HD1 TYR A 46 1.152 2.611 -10.097 1.00 0.00 H new ATOM 0 HD2 TYR A 46 2.329 -1.446 -9.540 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.086 2.081 -9.239 1.00 0.00 H new ATOM 0 HE2 TYR A 46 0.090 -1.980 -8.686 1.00 0.00 H new ATOM 0 HH TYR A 46 -1.871 -1.156 -7.997 1.00 0.00 H new ATOM 646 N SER A 47 5.580 1.371 -12.439 1.00 0.00 N ATOM 647 CA SER A 47 6.941 1.792 -12.750 1.00 0.00 C ATOM 648 C SER A 47 6.940 3.117 -13.508 1.00 0.00 C ATOM 649 O SER A 47 7.611 4.071 -13.114 1.00 0.00 O ATOM 650 CB SER A 47 7.653 0.720 -13.576 1.00 0.00 C ATOM 651 OG SER A 47 9.047 0.968 -13.642 1.00 0.00 O ATOM 0 H SER A 47 5.414 0.370 -12.543 1.00 0.00 H new ATOM 0 HA SER A 47 7.476 1.931 -11.810 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.476 -0.261 -13.135 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.237 0.696 -14.583 1.00 0.00 H new ATOM 0 HG SER A 47 9.429 0.485 -14.404 1.00 0.00 H new ATOM 657 N SER A 48 6.182 3.167 -14.598 1.00 0.00 N ATOM 658 CA SER A 48 6.096 4.372 -15.415 1.00 0.00 C ATOM 659 C SER A 48 5.874 5.604 -14.543 1.00 0.00 C ATOM 660 O SER A 48 6.722 6.495 -14.482 1.00 0.00 O ATOM 661 CB SER A 48 4.961 4.243 -16.433 1.00 0.00 C ATOM 662 OG SER A 48 5.205 3.179 -17.336 1.00 0.00 O ATOM 0 H SER A 48 5.618 2.387 -14.936 1.00 0.00 H new ATOM 0 HA SER A 48 7.040 4.489 -15.947 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.019 4.073 -15.912 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.856 5.177 -16.986 1.00 0.00 H new ATOM 0 HG SER A 48 4.465 3.116 -17.975 1.00 0.00 H new ATOM 668 N ILE A 49 4.729 5.647 -13.870 1.00 0.00 N ATOM 669 CA ILE A 49 4.396 6.768 -13.001 1.00 0.00 C ATOM 670 C ILE A 49 5.287 6.788 -11.763 1.00 0.00 C ATOM 671 O ILE A 49 5.338 7.781 -11.038 1.00 0.00 O ATOM 672 CB ILE A 49 2.922 6.719 -12.558 1.00 0.00 C ATOM 673 CG1 ILE A 49 2.684 5.525 -11.632 1.00 0.00 C ATOM 674 CG2 ILE A 49 2.007 6.646 -13.771 1.00 0.00 C ATOM 675 CD1 ILE A 49 1.378 5.599 -10.873 1.00 0.00 C ATOM 0 H ILE A 49 4.017 4.918 -13.910 1.00 0.00 H new ATOM 0 HA ILE A 49 4.563 7.676 -13.580 1.00 0.00 H new ATOM 0 HB ILE A 49 2.693 7.632 -12.008 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.700 4.609 -12.222 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.506 5.459 -10.919 1.00 0.00 H new ATOM 0 HG21 ILE A 49 0.968 6.612 -13.442 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.161 7.525 -14.396 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.235 5.748 -14.345 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.277 4.720 -10.237 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.366 6.497 -10.255 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.548 5.634 -11.579 1.00 0.00 H new ATOM 687 N ALA A 50 5.988 5.683 -11.528 1.00 0.00 N ATOM 688 CA ALA A 50 6.879 5.574 -10.380 1.00 0.00 C ATOM 689 C ALA A 50 8.291 6.030 -10.736 1.00 0.00 C ATOM 690 O ALA A 50 9.260 5.647 -10.081 1.00 0.00 O ATOM 691 CB ALA A 50 6.900 4.144 -9.861 1.00 0.00 C ATOM 0 H ALA A 50 5.956 4.851 -12.118 1.00 0.00 H new ATOM 0 HA ALA A 50 6.500 6.228 -9.595 1.00 0.00 H new ATOM 0 HB1 ALA A 50 7.570 4.078 -9.004 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.894 3.852 -9.559 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.251 3.476 -10.648 1.00 0.00 H new ATOM 697 N ALA A 51 8.398 6.849 -11.777 1.00 0.00 N ATOM 698 CA ALA A 51 9.691 7.357 -12.219 1.00 0.00 C ATOM 699 C ALA A 51 10.420 8.064 -11.081 1.00 0.00 C ATOM 700 O ALA A 51 10.080 9.189 -10.718 1.00 0.00 O ATOM 701 CB ALA A 51 9.512 8.299 -13.400 1.00 0.00 C ATOM 0 H ALA A 51 7.605 7.175 -12.330 1.00 0.00 H new ATOM 0 HA ALA A 51 10.299 6.509 -12.534 1.00 0.00 H new ATOM 0 HB1 ALA A 51 10.485 8.671 -13.720 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.040 7.764 -14.224 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.883 9.138 -13.104 1.00 0.00 H new ATOM 707 N ASN A 52 11.425 7.396 -10.524 1.00 0.00 N ATOM 708 CA ASN A 52 12.202 7.961 -9.426 1.00 0.00 C ATOM 709 C ASN A 52 11.287 8.457 -8.311 1.00 0.00 C ATOM 710 O ASN A 52 11.571 9.464 -7.661 1.00 0.00 O ATOM 711 CB ASN A 52 13.077 9.110 -9.932 1.00 0.00 C ATOM 712 CG ASN A 52 14.180 8.632 -10.857 1.00 0.00 C ATOM 713 OD1 ASN A 52 15.358 8.913 -10.634 1.00 0.00 O ATOM 714 ND2 ASN A 52 13.801 7.907 -11.903 1.00 0.00 N ATOM 0 H ASN A 52 11.720 6.464 -10.814 1.00 0.00 H new ATOM 0 HA ASN A 52 12.842 7.175 -9.024 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.454 9.834 -10.458 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.519 9.628 -9.081 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.498 7.558 -12.561 1.00 0.00 H new ATOM 0 HD22 ASN A 52 12.813 7.699 -12.048 1.00 0.00 H new ATOM 721 N THR A 53 10.187 7.743 -8.093 1.00 0.00 N ATOM 722 CA THR A 53 9.230 8.110 -7.057 1.00 0.00 C ATOM 723 C THR A 53 8.917 6.924 -6.152 1.00 0.00 C ATOM 724 O THR A 53 8.715 5.806 -6.627 1.00 0.00 O ATOM 725 CB THR A 53 7.917 8.636 -7.667 1.00 0.00 C ATOM 726 OG1 THR A 53 8.198 9.664 -8.623 1.00 0.00 O ATOM 727 CG2 THR A 53 6.997 9.181 -6.584 1.00 0.00 C ATOM 0 H THR A 53 9.937 6.907 -8.621 1.00 0.00 H new ATOM 0 HA THR A 53 9.691 8.902 -6.467 1.00 0.00 H new ATOM 0 HB THR A 53 7.415 7.806 -8.164 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.774 9.305 -9.330 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.076 9.547 -7.039 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.761 8.388 -5.874 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.494 9.999 -6.062 1.00 0.00 H new ATOM 735 N GLN A 54 8.879 7.174 -4.848 1.00 0.00 N ATOM 736 CA GLN A 54 8.591 6.125 -3.877 1.00 0.00 C ATOM 737 C GLN A 54 7.247 6.367 -3.197 1.00 0.00 C ATOM 738 O GLN A 54 7.030 7.412 -2.582 1.00 0.00 O ATOM 739 CB GLN A 54 9.701 6.054 -2.827 1.00 0.00 C ATOM 740 CG GLN A 54 11.074 5.764 -3.413 1.00 0.00 C ATOM 741 CD GLN A 54 12.170 5.779 -2.365 1.00 0.00 C ATOM 742 OE1 GLN A 54 11.911 5.589 -1.177 1.00 0.00 O ATOM 743 NE2 GLN A 54 13.404 6.004 -2.802 1.00 0.00 N ATOM 0 H GLN A 54 9.044 8.094 -4.439 1.00 0.00 H new ATOM 0 HA GLN A 54 8.543 5.175 -4.410 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.738 6.999 -2.285 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.454 5.280 -2.101 1.00 0.00 H new ATOM 0 HG2 GLN A 54 11.058 4.790 -3.903 1.00 0.00 H new ATOM 0 HG3 GLN A 54 11.301 6.503 -4.181 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.573 6.156 -3.796 1.00 0.00 H new ATOM 0 HE22 GLN A 54 14.183 6.024 -2.143 1.00 0.00 H new ATOM 752 N PHE A 55 6.348 5.395 -3.312 1.00 0.00 N ATOM 753 CA PHE A 55 5.025 5.503 -2.710 1.00 0.00 C ATOM 754 C PHE A 55 4.623 4.192 -2.041 1.00 0.00 C ATOM 755 O PHE A 55 5.246 3.153 -2.263 1.00 0.00 O ATOM 756 CB PHE A 55 3.989 5.887 -3.768 1.00 0.00 C ATOM 757 CG PHE A 55 3.902 4.909 -4.905 1.00 0.00 C ATOM 758 CD1 PHE A 55 4.929 4.810 -5.830 1.00 0.00 C ATOM 759 CD2 PHE A 55 2.795 4.089 -5.048 1.00 0.00 C ATOM 760 CE1 PHE A 55 4.851 3.911 -6.877 1.00 0.00 C ATOM 761 CE2 PHE A 55 2.712 3.189 -6.093 1.00 0.00 C ATOM 762 CZ PHE A 55 3.742 3.099 -7.008 1.00 0.00 C ATOM 0 H PHE A 55 6.512 4.524 -3.817 1.00 0.00 H new ATOM 0 HA PHE A 55 5.063 6.282 -1.949 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.011 5.969 -3.294 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.235 6.872 -4.165 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.799 5.442 -5.732 1.00 0.00 H new ATOM 0 HD2 PHE A 55 1.987 4.154 -4.334 1.00 0.00 H new ATOM 0 HE1 PHE A 55 5.657 3.844 -7.592 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.842 2.557 -6.194 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.680 2.395 -7.825 1.00 0.00 H new ATOM 772 N TRP A 56 3.579 4.248 -1.222 1.00 0.00 N ATOM 773 CA TRP A 56 3.094 3.065 -0.520 1.00 0.00 C ATOM 774 C TRP A 56 2.186 2.233 -1.419 1.00 0.00 C ATOM 775 O TRP A 56 1.535 2.763 -2.320 1.00 0.00 O ATOM 776 CB TRP A 56 2.343 3.472 0.749 1.00 0.00 C ATOM 777 CG TRP A 56 3.213 4.153 1.762 1.00 0.00 C ATOM 778 CD1 TRP A 56 3.168 5.467 2.129 1.00 0.00 C ATOM 779 CD2 TRP A 56 4.258 3.553 2.535 1.00 0.00 C ATOM 780 NE1 TRP A 56 4.123 5.721 3.084 1.00 0.00 N ATOM 781 CE2 TRP A 56 4.804 4.563 3.351 1.00 0.00 C ATOM 782 CE3 TRP A 56 4.785 2.262 2.619 1.00 0.00 C ATOM 783 CZ2 TRP A 56 5.850 4.319 4.237 1.00 0.00 C ATOM 784 CZ3 TRP A 56 5.823 2.021 3.498 1.00 0.00 C ATOM 785 CH2 TRP A 56 6.347 3.046 4.299 1.00 0.00 C ATOM 0 H TRP A 56 3.052 5.099 -1.028 1.00 0.00 H new ATOM 0 HA TRP A 56 3.956 2.457 -0.244 1.00 0.00 H new ATOM 0 HB2 TRP A 56 1.523 4.137 0.479 1.00 0.00 H new ATOM 0 HB3 TRP A 56 1.899 2.585 1.200 1.00 0.00 H new ATOM 0 HD1 TRP A 56 2.483 6.199 1.728 1.00 0.00 H new ATOM 0 HE1 TRP A 56 4.297 6.625 3.523 1.00 0.00 H new ATOM 0 HE3 TRP A 56 4.388 1.466 2.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.255 5.108 4.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 6.238 1.026 3.570 1.00 0.00 H new ATOM 0 HH2 TRP A 56 7.158 2.826 4.977 1.00 0.00 H new ATOM 796 N ILE A 57 2.146 0.929 -1.168 1.00 0.00 N ATOM 797 CA ILE A 57 1.316 0.025 -1.954 1.00 0.00 C ATOM 798 C ILE A 57 0.385 -0.785 -1.059 1.00 0.00 C ATOM 799 O ILE A 57 0.416 -0.657 0.164 1.00 0.00 O ATOM 800 CB ILE A 57 2.173 -0.941 -2.792 1.00 0.00 C ATOM 801 CG1 ILE A 57 3.182 -1.668 -1.900 1.00 0.00 C ATOM 802 CG2 ILE A 57 2.888 -0.187 -3.904 1.00 0.00 C ATOM 803 CD1 ILE A 57 4.045 -2.660 -2.647 1.00 0.00 C ATOM 0 H ILE A 57 2.679 0.475 -0.426 1.00 0.00 H new ATOM 0 HA ILE A 57 0.722 0.646 -2.625 1.00 0.00 H new ATOM 0 HB ILE A 57 1.517 -1.684 -3.246 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.824 -0.932 -1.417 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.645 -2.190 -1.108 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.490 -0.884 -4.487 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.152 0.288 -4.553 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.535 0.575 -3.469 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.736 -3.137 -1.952 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.412 -3.419 -3.108 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.610 -2.140 -3.421 1.00 0.00 H new ATOM 815 N GLY A 58 -0.443 -1.621 -1.678 1.00 0.00 N ATOM 816 CA GLY A 58 -1.371 -2.442 -0.922 1.00 0.00 C ATOM 817 C GLY A 58 -0.668 -3.502 -0.097 1.00 0.00 C ATOM 818 O GLY A 58 -1.262 -4.091 0.808 1.00 0.00 O ATOM 0 H GLY A 58 -0.488 -1.744 -2.690 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.961 -1.805 -0.263 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.068 -2.923 -1.608 1.00 0.00 H new ATOM 822 N LEU A 59 0.600 -3.747 -0.408 1.00 0.00 N ATOM 823 CA LEU A 59 1.385 -4.745 0.310 1.00 0.00 C ATOM 824 C LEU A 59 1.773 -4.238 1.695 1.00 0.00 C ATOM 825 O LEU A 59 2.291 -3.130 1.840 1.00 0.00 O ATOM 826 CB LEU A 59 2.641 -5.103 -0.485 1.00 0.00 C ATOM 827 CG LEU A 59 3.211 -6.502 -0.246 1.00 0.00 C ATOM 828 CD1 LEU A 59 2.178 -7.564 -0.590 1.00 0.00 C ATOM 829 CD2 LEU A 59 4.480 -6.707 -1.060 1.00 0.00 C ATOM 0 H LEU A 59 1.107 -3.268 -1.153 1.00 0.00 H new ATOM 0 HA LEU A 59 0.771 -5.638 0.429 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.416 -5.001 -1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.415 -4.372 -0.251 1.00 0.00 H new ATOM 0 HG LEU A 59 3.462 -6.596 0.811 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.601 -8.553 -0.414 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.296 -7.430 0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.896 -7.471 -1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.872 -7.708 -0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.254 -6.593 -2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 59 5.224 -5.967 -0.766 1.00 0.00 H new ATOM 841 N PHE A 60 1.522 -5.057 2.711 1.00 0.00 N ATOM 842 CA PHE A 60 1.847 -4.692 4.086 1.00 0.00 C ATOM 843 C PHE A 60 1.966 -5.934 4.964 1.00 0.00 C ATOM 844 O PHE A 60 1.158 -6.858 4.866 1.00 0.00 O ATOM 845 CB PHE A 60 0.780 -3.753 4.652 1.00 0.00 C ATOM 846 CG PHE A 60 -0.511 -4.445 4.985 1.00 0.00 C ATOM 847 CD1 PHE A 60 -0.587 -5.321 6.056 1.00 0.00 C ATOM 848 CD2 PHE A 60 -1.649 -4.218 4.228 1.00 0.00 C ATOM 849 CE1 PHE A 60 -1.774 -5.959 6.364 1.00 0.00 C ATOM 850 CE2 PHE A 60 -2.839 -4.853 4.531 1.00 0.00 C ATOM 851 CZ PHE A 60 -2.901 -5.724 5.602 1.00 0.00 C ATOM 0 H PHE A 60 1.095 -5.978 2.609 1.00 0.00 H new ATOM 0 HA PHE A 60 2.808 -4.178 4.082 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.169 -3.274 5.551 1.00 0.00 H new ATOM 0 HB3 PHE A 60 0.583 -2.962 3.929 1.00 0.00 H new ATOM 0 HD1 PHE A 60 0.291 -5.507 6.657 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -1.606 -3.537 3.391 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.820 -6.641 7.200 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.718 -4.669 3.932 1.00 0.00 H new ATOM 0 HZ PHE A 60 -3.830 -6.220 5.843 1.00 0.00 H new ATOM 861 N LYS A 61 2.980 -5.949 5.823 1.00 0.00 N ATOM 862 CA LYS A 61 3.207 -7.075 6.720 1.00 0.00 C ATOM 863 C LYS A 61 2.223 -7.049 7.886 1.00 0.00 C ATOM 864 O LYS A 61 1.810 -5.982 8.337 1.00 0.00 O ATOM 865 CB LYS A 61 4.642 -7.050 7.250 1.00 0.00 C ATOM 866 CG LYS A 61 4.952 -8.177 8.221 1.00 0.00 C ATOM 867 CD LYS A 61 6.440 -8.478 8.270 1.00 0.00 C ATOM 868 CE LYS A 61 6.893 -9.253 7.042 1.00 0.00 C ATOM 869 NZ LYS A 61 8.374 -9.402 6.995 1.00 0.00 N ATOM 0 H LYS A 61 3.658 -5.193 5.916 1.00 0.00 H new ATOM 0 HA LYS A 61 3.050 -7.994 6.155 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.332 -7.107 6.408 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.821 -6.096 7.745 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.602 -7.907 9.217 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.408 -9.074 7.924 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.999 -7.545 8.339 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.667 -9.053 9.168 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.429 -10.239 7.043 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.551 -8.741 6.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.711 -9.213 6.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 8.812 -8.726 7.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.634 -10.371 7.269 1.00 0.00 H new ATOM 883 N ASN A 62 1.853 -8.231 8.368 1.00 0.00 N ATOM 884 CA ASN A 62 0.918 -8.343 9.482 1.00 0.00 C ATOM 885 C ASN A 62 1.630 -8.820 10.744 1.00 0.00 C ATOM 886 O ASN A 62 2.780 -9.256 10.693 1.00 0.00 O ATOM 887 CB ASN A 62 -0.217 -9.306 9.128 1.00 0.00 C ATOM 888 CG ASN A 62 -1.508 -8.970 9.849 1.00 0.00 C ATOM 889 OD1 ASN A 62 -1.526 -8.138 10.756 1.00 0.00 O ATOM 890 ND2 ASN A 62 -2.595 -9.617 9.448 1.00 0.00 N ATOM 0 H ASN A 62 2.186 -9.124 8.005 1.00 0.00 H new ATOM 0 HA ASN A 62 0.500 -7.355 9.674 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.388 -9.281 8.052 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.082 -10.324 9.380 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.493 -9.433 9.896 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.533 -10.299 8.692 1.00 0.00 H new ATOM 897 N SER A 63 0.938 -8.735 11.876 1.00 0.00 N ATOM 898 CA SER A 63 1.505 -9.155 13.152 1.00 0.00 C ATOM 899 C SER A 63 2.077 -10.566 13.054 1.00 0.00 C ATOM 900 O SER A 63 3.162 -10.845 13.565 1.00 0.00 O ATOM 901 CB SER A 63 0.440 -9.100 14.249 1.00 0.00 C ATOM 902 OG SER A 63 -0.073 -7.787 14.396 1.00 0.00 O ATOM 0 H SER A 63 -0.016 -8.379 11.935 1.00 0.00 H new ATOM 0 HA SER A 63 2.314 -8.470 13.405 1.00 0.00 H new ATOM 0 HB2 SER A 63 -0.372 -9.786 14.007 1.00 0.00 H new ATOM 0 HB3 SER A 63 0.869 -9.434 15.194 1.00 0.00 H new ATOM 0 HG SER A 63 -0.753 -7.779 15.102 1.00 0.00 H new ATOM 908 N ASP A 64 1.340 -11.452 12.394 1.00 0.00 N ATOM 909 CA ASP A 64 1.773 -12.835 12.227 1.00 0.00 C ATOM 910 C ASP A 64 3.162 -12.897 11.598 1.00 0.00 C ATOM 911 O ASP A 64 3.977 -13.747 11.952 1.00 0.00 O ATOM 912 CB ASP A 64 0.773 -13.604 11.362 1.00 0.00 C ATOM 913 CG ASP A 64 0.835 -15.100 11.598 1.00 0.00 C ATOM 914 OD1 ASP A 64 1.696 -15.763 10.982 1.00 0.00 O ATOM 915 OD2 ASP A 64 0.022 -15.609 12.398 1.00 0.00 O ATOM 0 H ASP A 64 0.440 -11.238 11.966 1.00 0.00 H new ATOM 0 HA ASP A 64 1.819 -13.297 13.213 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -0.235 -13.247 11.573 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.971 -13.396 10.311 1.00 0.00 H new ATOM 920 N GLY A 65 3.423 -11.990 10.661 1.00 0.00 N ATOM 921 CA GLY A 65 4.713 -11.960 9.997 1.00 0.00 C ATOM 922 C GLY A 65 4.603 -12.207 8.506 1.00 0.00 C ATOM 923 O GLY A 65 5.611 -12.241 7.801 1.00 0.00 O ATOM 0 H GLY A 65 2.764 -11.276 10.350 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.184 -10.992 10.168 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.364 -12.714 10.440 1.00 0.00 H new ATOM 927 N GLN A 66 3.376 -12.380 8.025 1.00 0.00 N ATOM 928 CA GLN A 66 3.140 -12.627 6.608 1.00 0.00 C ATOM 929 C GLN A 66 2.715 -11.347 5.895 1.00 0.00 C ATOM 930 O GLN A 66 2.165 -10.434 6.512 1.00 0.00 O ATOM 931 CB GLN A 66 2.068 -13.705 6.428 1.00 0.00 C ATOM 932 CG GLN A 66 2.252 -14.904 7.344 1.00 0.00 C ATOM 933 CD GLN A 66 1.588 -16.156 6.807 1.00 0.00 C ATOM 934 OE1 GLN A 66 0.428 -16.437 7.110 1.00 0.00 O ATOM 935 NE2 GLN A 66 2.322 -16.917 6.003 1.00 0.00 N ATOM 0 H GLN A 66 2.531 -12.354 8.595 1.00 0.00 H new ATOM 0 HA GLN A 66 4.073 -12.975 6.166 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.088 -13.265 6.611 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.076 -14.045 5.392 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.317 -15.092 7.480 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.841 -14.672 8.327 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.279 -16.646 5.778 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.928 -17.772 5.610 1.00 0.00 H new ATOM 944 N PHE A 67 2.973 -11.287 4.593 1.00 0.00 N ATOM 945 CA PHE A 67 2.619 -10.118 3.796 1.00 0.00 C ATOM 946 C PHE A 67 1.209 -10.254 3.229 1.00 0.00 C ATOM 947 O PHE A 67 0.884 -11.244 2.574 1.00 0.00 O ATOM 948 CB PHE A 67 3.623 -9.928 2.657 1.00 0.00 C ATOM 949 CG PHE A 67 4.969 -9.448 3.119 1.00 0.00 C ATOM 950 CD1 PHE A 67 5.139 -8.151 3.574 1.00 0.00 C ATOM 951 CD2 PHE A 67 6.065 -10.296 3.099 1.00 0.00 C ATOM 952 CE1 PHE A 67 6.377 -7.707 3.998 1.00 0.00 C ATOM 953 CE2 PHE A 67 7.306 -9.857 3.522 1.00 0.00 C ATOM 954 CZ PHE A 67 7.462 -8.561 3.974 1.00 0.00 C ATOM 0 H PHE A 67 3.426 -12.034 4.067 1.00 0.00 H new ATOM 0 HA PHE A 67 2.648 -9.243 4.446 1.00 0.00 H new ATOM 0 HB2 PHE A 67 3.745 -10.874 2.129 1.00 0.00 H new ATOM 0 HB3 PHE A 67 3.217 -9.213 1.941 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.294 -7.479 3.598 1.00 0.00 H new ATOM 0 HD2 PHE A 67 5.948 -11.311 2.749 1.00 0.00 H new ATOM 0 HE1 PHE A 67 6.496 -6.692 4.348 1.00 0.00 H new ATOM 0 HE2 PHE A 67 8.153 -10.527 3.499 1.00 0.00 H new ATOM 0 HZ PHE A 67 8.430 -8.217 4.308 1.00 0.00 H new ATOM 964 N TYR A 68 0.376 -9.252 3.487 1.00 0.00 N ATOM 965 CA TYR A 68 -1.001 -9.260 3.006 1.00 0.00 C ATOM 966 C TYR A 68 -1.250 -8.097 2.050 1.00 0.00 C ATOM 967 O TYR A 68 -0.347 -7.310 1.764 1.00 0.00 O ATOM 968 CB TYR A 68 -1.975 -9.185 4.182 1.00 0.00 C ATOM 969 CG TYR A 68 -1.796 -10.299 5.188 1.00 0.00 C ATOM 970 CD1 TYR A 68 -0.640 -10.393 5.953 1.00 0.00 C ATOM 971 CD2 TYR A 68 -2.785 -11.258 5.375 1.00 0.00 C ATOM 972 CE1 TYR A 68 -0.473 -11.411 6.872 1.00 0.00 C ATOM 973 CE2 TYR A 68 -2.626 -12.278 6.293 1.00 0.00 C ATOM 974 CZ TYR A 68 -1.468 -12.350 7.039 1.00 0.00 C ATOM 975 OH TYR A 68 -1.306 -13.364 7.955 1.00 0.00 O ATOM 0 H TYR A 68 0.630 -8.424 4.026 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.165 -10.193 2.466 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -1.849 -8.227 4.687 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.996 -9.212 3.800 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.141 -9.658 5.827 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -3.693 -11.205 4.793 1.00 0.00 H new ATOM 0 HE1 TYR A 68 0.433 -11.471 7.457 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.404 -13.015 6.426 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.099 -13.939 7.950 1.00 0.00 H new ATOM 985 N TRP A 69 -2.480 -7.996 1.560 1.00 0.00 N ATOM 986 CA TRP A 69 -2.850 -6.929 0.637 1.00 0.00 C ATOM 987 C TRP A 69 -3.866 -5.987 1.272 1.00 0.00 C ATOM 988 O TRP A 69 -4.678 -6.401 2.099 1.00 0.00 O ATOM 989 CB TRP A 69 -3.420 -7.519 -0.654 1.00 0.00 C ATOM 990 CG TRP A 69 -2.371 -8.083 -1.564 1.00 0.00 C ATOM 991 CD1 TRP A 69 -2.249 -9.382 -1.968 1.00 0.00 C ATOM 992 CD2 TRP A 69 -1.296 -7.367 -2.180 1.00 0.00 C ATOM 993 NE1 TRP A 69 -1.163 -9.516 -2.798 1.00 0.00 N ATOM 994 CE2 TRP A 69 -0.562 -8.294 -2.945 1.00 0.00 C ATOM 995 CE3 TRP A 69 -0.883 -6.032 -2.162 1.00 0.00 C ATOM 996 CZ2 TRP A 69 0.561 -7.927 -3.682 1.00 0.00 C ATOM 997 CZ3 TRP A 69 0.232 -5.670 -2.894 1.00 0.00 C ATOM 998 CH2 TRP A 69 0.943 -6.614 -3.646 1.00 0.00 C ATOM 0 H TRP A 69 -3.238 -8.640 1.786 1.00 0.00 H new ATOM 0 HA TRP A 69 -1.952 -6.358 0.402 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -4.133 -8.304 -0.402 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -3.973 -6.745 -1.185 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -2.909 -10.186 -1.677 1.00 0.00 H new ATOM 0 HE1 TRP A 69 -0.854 -10.385 -3.234 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.425 -5.296 -1.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.111 -8.653 -4.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 0.561 -4.641 -2.886 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.810 -6.299 -4.208 1.00 0.00 H new ATOM 1009 N ASP A 70 -3.815 -4.718 0.881 1.00 0.00 N ATOM 1010 CA ASP A 70 -4.733 -3.717 1.412 1.00 0.00 C ATOM 1011 C ASP A 70 -6.001 -3.639 0.567 1.00 0.00 C ATOM 1012 O ASP A 70 -5.950 -3.295 -0.614 1.00 0.00 O ATOM 1013 CB ASP A 70 -4.054 -2.348 1.463 1.00 0.00 C ATOM 1014 CG ASP A 70 -4.743 -1.395 2.421 1.00 0.00 C ATOM 1015 OD1 ASP A 70 -5.228 -1.861 3.473 1.00 0.00 O ATOM 1016 OD2 ASP A 70 -4.797 -0.185 2.118 1.00 0.00 O ATOM 0 H ASP A 70 -3.148 -4.358 0.198 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.010 -4.014 2.423 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.014 -2.473 1.764 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -4.046 -1.912 0.464 1.00 0.00 H new ATOM 1021 N ARG A 71 -7.135 -3.961 1.179 1.00 0.00 N ATOM 1022 CA ARG A 71 -8.415 -3.930 0.482 1.00 0.00 C ATOM 1023 C ARG A 71 -9.364 -2.928 1.133 1.00 0.00 C ATOM 1024 O ARG A 71 -10.558 -3.190 1.273 1.00 0.00 O ATOM 1025 CB ARG A 71 -9.051 -5.321 0.476 1.00 0.00 C ATOM 1026 CG ARG A 71 -8.161 -6.395 -0.130 1.00 0.00 C ATOM 1027 CD ARG A 71 -8.281 -6.428 -1.645 1.00 0.00 C ATOM 1028 NE ARG A 71 -7.774 -7.677 -2.207 1.00 0.00 N ATOM 1029 CZ ARG A 71 -7.602 -7.882 -3.508 1.00 0.00 C ATOM 1030 NH1 ARG A 71 -7.894 -6.924 -4.377 1.00 0.00 N ATOM 1031 NH2 ARG A 71 -7.136 -9.046 -3.942 1.00 0.00 N ATOM 0 H ARG A 71 -7.194 -4.247 2.156 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.233 -3.617 -0.546 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -9.300 -5.602 1.499 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.988 -5.281 -0.080 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.124 -6.210 0.150 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.433 -7.368 0.279 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.326 -6.301 -1.929 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.730 -5.589 -2.071 1.00 0.00 H new ATOM 0 HE ARG A 71 -7.539 -8.434 -1.565 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.251 -6.028 -4.047 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -7.761 -7.084 -5.376 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.909 -9.785 -3.276 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.004 -9.202 -4.941 1.00 0.00 H new ATOM 1045 N GLY A 72 -8.824 -1.780 1.530 1.00 0.00 N ATOM 1046 CA GLY A 72 -9.636 -0.757 2.163 1.00 0.00 C ATOM 1047 C GLY A 72 -9.520 -0.777 3.674 1.00 0.00 C ATOM 1048 O GLY A 72 -8.549 -1.299 4.221 1.00 0.00 O ATOM 0 H GLY A 72 -7.838 -1.540 1.425 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.335 0.223 1.792 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.679 -0.899 1.880 1.00 0.00 H new ATOM 1052 N GLN A 73 -10.512 -0.206 4.349 1.00 0.00 N ATOM 1053 CA GLN A 73 -10.516 -0.158 5.807 1.00 0.00 C ATOM 1054 C GLN A 73 -11.510 -1.161 6.382 1.00 0.00 C ATOM 1055 O GLN A 73 -12.686 -1.161 6.020 1.00 0.00 O ATOM 1056 CB GLN A 73 -10.858 1.252 6.291 1.00 0.00 C ATOM 1057 CG GLN A 73 -10.218 1.609 7.623 1.00 0.00 C ATOM 1058 CD GLN A 73 -10.645 2.973 8.128 1.00 0.00 C ATOM 1059 OE1 GLN A 73 -10.266 4.002 7.569 1.00 0.00 O ATOM 1060 NE2 GLN A 73 -11.440 2.988 9.192 1.00 0.00 N ATOM 0 H GLN A 73 -11.323 0.230 3.910 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.518 -0.422 6.157 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.538 1.973 5.539 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.940 1.344 6.381 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -10.482 0.853 8.363 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -9.133 1.588 7.518 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -11.730 2.111 9.624 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -11.760 3.877 9.577 1.00 0.00 H new ATOM 1069 N GLY A 74 -11.029 -2.016 7.280 1.00 0.00 N ATOM 1070 CA GLY A 74 -11.889 -3.013 7.890 1.00 0.00 C ATOM 1071 C GLY A 74 -12.007 -4.269 7.050 1.00 0.00 C ATOM 1072 O GLY A 74 -12.062 -5.377 7.584 1.00 0.00 O ATOM 0 H GLY A 74 -10.059 -2.036 7.596 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.498 -3.273 8.874 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -12.881 -2.588 8.044 1.00 0.00 H new ATOM 1076 N ILE A 75 -12.048 -4.097 5.733 1.00 0.00 N ATOM 1077 CA ILE A 75 -12.161 -5.226 4.819 1.00 0.00 C ATOM 1078 C ILE A 75 -11.059 -6.250 5.070 1.00 0.00 C ATOM 1079 O ILE A 75 -9.914 -5.890 5.340 1.00 0.00 O ATOM 1080 CB ILE A 75 -12.097 -4.769 3.349 1.00 0.00 C ATOM 1081 CG1 ILE A 75 -13.151 -3.693 3.080 1.00 0.00 C ATOM 1082 CG2 ILE A 75 -12.292 -5.955 2.417 1.00 0.00 C ATOM 1083 CD1 ILE A 75 -14.572 -4.198 3.196 1.00 0.00 C ATOM 0 H ILE A 75 -12.005 -3.186 5.275 1.00 0.00 H new ATOM 0 HA ILE A 75 -13.131 -5.687 5.006 1.00 0.00 H new ATOM 0 HB ILE A 75 -11.113 -4.341 3.159 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -13.007 -2.871 3.782 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -12.998 -3.288 2.080 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -12.244 -5.616 1.382 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.507 -6.690 2.595 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -13.265 -6.410 2.605 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -15.266 -3.382 2.993 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -14.733 -5.000 2.475 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -14.742 -4.577 4.204 1.00 0.00 H new ATOM 1095 N ASN A 76 -11.414 -7.527 4.978 1.00 0.00 N ATOM 1096 CA ASN A 76 -10.454 -8.604 5.195 1.00 0.00 C ATOM 1097 C ASN A 76 -9.334 -8.550 4.161 1.00 0.00 C ATOM 1098 O ASN A 76 -9.570 -8.458 2.956 1.00 0.00 O ATOM 1099 CB ASN A 76 -11.157 -9.962 5.131 1.00 0.00 C ATOM 1100 CG ASN A 76 -11.340 -10.452 3.707 1.00 0.00 C ATOM 1101 OD1 ASN A 76 -10.557 -11.264 3.213 1.00 0.00 O ATOM 1102 ND2 ASN A 76 -12.377 -9.959 3.040 1.00 0.00 N ATOM 0 H ASN A 76 -12.358 -7.842 4.755 1.00 0.00 H new ATOM 0 HA ASN A 76 -10.017 -8.474 6.185 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.578 -10.695 5.693 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -12.131 -9.887 5.615 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -12.550 -10.251 2.078 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -13.000 -9.288 3.489 1.00 0.00 H new ATOM 1109 N PRO A 77 -8.083 -8.608 4.641 1.00 0.00 N ATOM 1110 CA PRO A 77 -6.900 -8.569 3.776 1.00 0.00 C ATOM 1111 C PRO A 77 -6.745 -9.839 2.947 1.00 0.00 C ATOM 1112 O PRO A 77 -7.555 -10.761 3.049 1.00 0.00 O ATOM 1113 CB PRO A 77 -5.740 -8.432 4.766 1.00 0.00 C ATOM 1114 CG PRO A 77 -6.254 -9.022 6.034 1.00 0.00 C ATOM 1115 CD PRO A 77 -7.726 -8.718 6.066 1.00 0.00 C ATOM 0 HA PRO A 77 -6.955 -7.760 3.048 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.854 -8.960 4.414 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -5.456 -7.388 4.901 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.077 -10.097 6.064 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.748 -8.591 6.898 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -8.289 -9.509 6.561 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -7.934 -7.794 6.605 1.00 0.00 H new ATOM 1123 N ASP A 78 -5.702 -9.881 2.126 1.00 0.00 N ATOM 1124 CA ASP A 78 -5.440 -11.039 1.280 1.00 0.00 C ATOM 1125 C ASP A 78 -3.992 -11.500 1.421 1.00 0.00 C ATOM 1126 O ASP A 78 -3.060 -10.720 1.221 1.00 0.00 O ATOM 1127 CB ASP A 78 -5.743 -10.709 -0.182 1.00 0.00 C ATOM 1128 CG ASP A 78 -5.952 -11.951 -1.026 1.00 0.00 C ATOM 1129 OD1 ASP A 78 -5.150 -12.899 -0.893 1.00 0.00 O ATOM 1130 OD2 ASP A 78 -6.916 -11.975 -1.819 1.00 0.00 O ATOM 0 H ASP A 78 -5.024 -9.126 2.028 1.00 0.00 H new ATOM 0 HA ASP A 78 -6.093 -11.849 1.604 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.635 -10.085 -0.233 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.921 -10.125 -0.597 1.00 0.00 H new ATOM 1135 N LEU A 79 -3.812 -12.769 1.766 1.00 0.00 N ATOM 1136 CA LEU A 79 -2.477 -13.334 1.935 1.00 0.00 C ATOM 1137 C LEU A 79 -1.750 -13.423 0.596 1.00 0.00 C ATOM 1138 O LEU A 79 -2.238 -14.048 -0.346 1.00 0.00 O ATOM 1139 CB LEU A 79 -2.566 -14.721 2.573 1.00 0.00 C ATOM 1140 CG LEU A 79 -1.317 -15.200 3.315 1.00 0.00 C ATOM 1141 CD1 LEU A 79 -0.204 -15.526 2.331 1.00 0.00 C ATOM 1142 CD2 LEU A 79 -0.856 -14.150 4.315 1.00 0.00 C ATOM 0 H LEU A 79 -4.573 -13.427 1.934 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.910 -12.674 2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.403 -14.725 3.271 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.800 -15.444 1.792 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.568 -16.109 3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.676 -15.865 2.877 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.536 -16.313 1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.046 -14.634 1.756 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.033 -14.507 4.834 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.622 -13.224 3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.649 -13.965 5.040 1.00 0.00 H new ATOM 1154 N LEU A 80 -0.582 -12.796 0.521 1.00 0.00 N ATOM 1155 CA LEU A 80 0.214 -12.806 -0.701 1.00 0.00 C ATOM 1156 C LEU A 80 0.678 -14.220 -1.038 1.00 0.00 C ATOM 1157 O LEU A 80 1.714 -14.675 -0.556 1.00 0.00 O ATOM 1158 CB LEU A 80 1.424 -11.882 -0.553 1.00 0.00 C ATOM 1159 CG LEU A 80 2.459 -11.945 -1.677 1.00 0.00 C ATOM 1160 CD1 LEU A 80 2.100 -10.971 -2.788 1.00 0.00 C ATOM 1161 CD2 LEU A 80 3.851 -11.653 -1.137 1.00 0.00 C ATOM 0 H LEU A 80 -0.165 -12.274 1.292 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.413 -12.445 -1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.065 -10.856 -0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.923 -12.118 0.387 1.00 0.00 H new ATOM 0 HG LEU A 80 2.457 -12.953 -2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.848 -11.030 -3.579 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.121 -11.227 -3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 80 2.073 -9.957 -2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.575 -11.702 -1.951 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.868 -10.657 -0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.109 -12.391 -0.377 1.00 0.00 H new ATOM 1173 N ASN A 81 -0.097 -14.909 -1.870 1.00 0.00 N ATOM 1174 CA ASN A 81 0.235 -16.270 -2.272 1.00 0.00 C ATOM 1175 C ASN A 81 0.524 -16.340 -3.769 1.00 0.00 C ATOM 1176 O ASN A 81 0.325 -17.377 -4.401 1.00 0.00 O ATOM 1177 CB ASN A 81 -0.909 -17.222 -1.918 1.00 0.00 C ATOM 1178 CG ASN A 81 -2.082 -17.098 -2.872 1.00 0.00 C ATOM 1179 OD1 ASN A 81 -2.209 -16.107 -3.591 1.00 0.00 O ATOM 1180 ND2 ASN A 81 -2.945 -18.107 -2.882 1.00 0.00 N ATOM 0 H ASN A 81 -0.959 -14.547 -2.278 1.00 0.00 H new ATOM 0 HA ASN A 81 1.132 -16.573 -1.732 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -0.541 -18.248 -1.931 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.247 -17.017 -0.902 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -3.753 -18.080 -3.503 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.799 -18.909 -2.268 1.00 0.00 H new ATOM 1187 N GLN A 82 0.995 -15.230 -4.327 1.00 0.00 N ATOM 1188 CA GLN A 82 1.312 -15.165 -5.749 1.00 0.00 C ATOM 1189 C GLN A 82 2.717 -15.694 -6.018 1.00 0.00 C ATOM 1190 O GLN A 82 3.651 -15.465 -5.249 1.00 0.00 O ATOM 1191 CB GLN A 82 1.189 -13.727 -6.255 1.00 0.00 C ATOM 1192 CG GLN A 82 2.165 -12.765 -5.598 1.00 0.00 C ATOM 1193 CD GLN A 82 1.920 -11.323 -5.995 1.00 0.00 C ATOM 1194 OE1 GLN A 82 0.777 -10.872 -6.066 1.00 0.00 O ATOM 1195 NE2 GLN A 82 2.996 -10.590 -6.256 1.00 0.00 N ATOM 0 H GLN A 82 1.166 -14.364 -3.817 1.00 0.00 H new ATOM 0 HA GLN A 82 0.599 -15.793 -6.284 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.350 -13.715 -7.333 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.172 -13.375 -6.081 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.087 -12.858 -4.515 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.183 -13.045 -5.869 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.925 -11.005 -6.185 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.893 -9.612 -6.528 1.00 0.00 H new ATOM 1204 N PRO A 83 2.873 -16.418 -7.136 1.00 0.00 N ATOM 1205 CA PRO A 83 4.161 -16.994 -7.533 1.00 0.00 C ATOM 1206 C PRO A 83 5.164 -15.930 -7.966 1.00 0.00 C ATOM 1207 O PRO A 83 6.372 -16.095 -7.794 1.00 0.00 O ATOM 1208 CB PRO A 83 3.797 -17.898 -8.714 1.00 0.00 C ATOM 1209 CG PRO A 83 2.548 -17.307 -9.272 1.00 0.00 C ATOM 1210 CD PRO A 83 1.804 -16.730 -8.100 1.00 0.00 C ATOM 0 HA PRO A 83 4.643 -17.520 -6.709 1.00 0.00 H new ATOM 0 HB2 PRO A 83 4.593 -17.917 -9.458 1.00 0.00 H new ATOM 0 HB3 PRO A 83 3.638 -18.927 -8.391 1.00 0.00 H new ATOM 0 HG2 PRO A 83 2.776 -16.536 -10.008 1.00 0.00 H new ATOM 0 HG3 PRO A 83 1.950 -18.065 -9.779 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.243 -15.838 -8.380 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.088 -17.442 -7.689 1.00 0.00 H new ATOM 1218 N ILE A 84 4.655 -14.838 -8.527 1.00 0.00 N ATOM 1219 CA ILE A 84 5.506 -13.746 -8.982 1.00 0.00 C ATOM 1220 C ILE A 84 5.645 -12.672 -7.909 1.00 0.00 C ATOM 1221 O ILE A 84 4.659 -12.257 -7.298 1.00 0.00 O ATOM 1222 CB ILE A 84 4.957 -13.103 -10.269 1.00 0.00 C ATOM 1223 CG1 ILE A 84 4.920 -14.129 -11.403 1.00 0.00 C ATOM 1224 CG2 ILE A 84 5.802 -11.900 -10.662 1.00 0.00 C ATOM 1225 CD1 ILE A 84 4.344 -13.585 -12.691 1.00 0.00 C ATOM 0 H ILE A 84 3.658 -14.686 -8.677 1.00 0.00 H new ATOM 0 HA ILE A 84 6.486 -14.176 -9.190 1.00 0.00 H new ATOM 0 HB ILE A 84 3.939 -12.762 -10.081 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.932 -14.488 -11.590 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.330 -14.989 -11.085 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.402 -11.456 -11.573 1.00 0.00 H new ATOM 0 HG22 ILE A 84 5.781 -11.163 -9.860 1.00 0.00 H new ATOM 0 HG23 ILE A 84 6.830 -12.218 -10.835 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.349 -14.367 -13.451 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.320 -13.252 -12.520 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.947 -12.744 -13.033 1.00 0.00 H new ATOM 1237 N THR A 85 6.876 -12.223 -7.683 1.00 0.00 N ATOM 1238 CA THR A 85 7.144 -11.197 -6.684 1.00 0.00 C ATOM 1239 C THR A 85 8.186 -10.203 -7.183 1.00 0.00 C ATOM 1240 O THR A 85 8.914 -10.478 -8.137 1.00 0.00 O ATOM 1241 CB THR A 85 7.632 -11.815 -5.360 1.00 0.00 C ATOM 1242 OG1 THR A 85 8.713 -12.719 -5.612 1.00 0.00 O ATOM 1243 CG2 THR A 85 6.502 -12.551 -4.657 1.00 0.00 C ATOM 0 H THR A 85 7.703 -12.555 -8.179 1.00 0.00 H new ATOM 0 HA THR A 85 6.204 -10.675 -6.507 1.00 0.00 H new ATOM 0 HB THR A 85 7.976 -11.008 -4.713 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.019 -13.107 -4.766 1.00 0.00 H new ATOM 0 HG21 THR A 85 6.871 -12.979 -3.725 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.693 -11.854 -4.441 1.00 0.00 H new ATOM 0 HG23 THR A 85 6.132 -13.349 -5.301 1.00 0.00 H new ATOM 1251 N TYR A 86 8.254 -9.047 -6.532 1.00 0.00 N ATOM 1252 CA TYR A 86 9.207 -8.011 -6.911 1.00 0.00 C ATOM 1253 C TYR A 86 10.148 -7.687 -5.754 1.00 0.00 C ATOM 1254 O TYR A 86 10.869 -6.690 -5.787 1.00 0.00 O ATOM 1255 CB TYR A 86 8.469 -6.746 -7.352 1.00 0.00 C ATOM 1256 CG TYR A 86 7.423 -6.995 -8.415 1.00 0.00 C ATOM 1257 CD1 TYR A 86 7.787 -7.392 -9.696 1.00 0.00 C ATOM 1258 CD2 TYR A 86 6.071 -6.834 -8.139 1.00 0.00 C ATOM 1259 CE1 TYR A 86 6.835 -7.620 -10.671 1.00 0.00 C ATOM 1260 CE2 TYR A 86 5.112 -7.061 -9.107 1.00 0.00 C ATOM 1261 CZ TYR A 86 5.499 -7.454 -10.371 1.00 0.00 C ATOM 1262 OH TYR A 86 4.547 -7.680 -11.339 1.00 0.00 O ATOM 0 H TYR A 86 7.660 -8.804 -5.739 1.00 0.00 H new ATOM 0 HA TYR A 86 9.801 -8.386 -7.745 1.00 0.00 H new ATOM 0 HB2 TYR A 86 7.991 -6.293 -6.483 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.194 -6.025 -7.730 1.00 0.00 H new ATOM 0 HD1 TYR A 86 8.832 -7.525 -9.934 1.00 0.00 H new ATOM 0 HD2 TYR A 86 5.764 -6.526 -7.150 1.00 0.00 H new ATOM 0 HE1 TYR A 86 7.135 -7.926 -11.662 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.065 -6.931 -8.875 1.00 0.00 H new ATOM 0 HH TYR A 86 3.719 -7.990 -10.917 1.00 0.00 H new ATOM 1272 N TRP A 87 10.135 -8.537 -4.734 1.00 0.00 N ATOM 1273 CA TRP A 87 10.987 -8.342 -3.566 1.00 0.00 C ATOM 1274 C TRP A 87 12.398 -7.942 -3.983 1.00 0.00 C ATOM 1275 O TRP A 87 13.112 -8.721 -4.614 1.00 0.00 O ATOM 1276 CB TRP A 87 11.033 -9.618 -2.724 1.00 0.00 C ATOM 1277 CG TRP A 87 9.729 -9.936 -2.057 1.00 0.00 C ATOM 1278 CD1 TRP A 87 8.987 -11.073 -2.206 1.00 0.00 C ATOM 1279 CD2 TRP A 87 9.013 -9.106 -1.136 1.00 0.00 C ATOM 1280 NE1 TRP A 87 7.853 -11.000 -1.434 1.00 0.00 N ATOM 1281 CE2 TRP A 87 7.846 -9.804 -0.767 1.00 0.00 C ATOM 1282 CE3 TRP A 87 9.245 -7.843 -0.585 1.00 0.00 C ATOM 1283 CZ2 TRP A 87 6.916 -9.278 0.126 1.00 0.00 C ATOM 1284 CZ3 TRP A 87 8.321 -7.322 0.300 1.00 0.00 C ATOM 1285 CH2 TRP A 87 7.168 -8.039 0.649 1.00 0.00 C ATOM 0 H TRP A 87 9.544 -9.368 -4.692 1.00 0.00 H new ATOM 0 HA TRP A 87 10.563 -7.536 -2.968 1.00 0.00 H new ATOM 0 HB2 TRP A 87 11.321 -10.455 -3.360 1.00 0.00 H new ATOM 0 HB3 TRP A 87 11.807 -9.515 -1.963 1.00 0.00 H new ATOM 0 HD1 TRP A 87 9.253 -11.907 -2.838 1.00 0.00 H new ATOM 0 HE1 TRP A 87 7.133 -11.720 -1.368 1.00 0.00 H new ATOM 0 HE3 TRP A 87 10.131 -7.284 -0.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 6.027 -9.829 0.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 8.490 -6.346 0.730 1.00 0.00 H new ATOM 0 HH2 TRP A 87 6.465 -7.605 1.344 1.00 0.00 H new ATOM 1296 N ALA A 88 12.793 -6.725 -3.625 1.00 0.00 N ATOM 1297 CA ALA A 88 14.120 -6.224 -3.961 1.00 0.00 C ATOM 1298 C ALA A 88 15.201 -7.227 -3.571 1.00 0.00 C ATOM 1299 O ALA A 88 14.915 -8.255 -2.959 1.00 0.00 O ATOM 1300 CB ALA A 88 14.367 -4.887 -3.278 1.00 0.00 C ATOM 0 H ALA A 88 12.213 -6.068 -3.103 1.00 0.00 H new ATOM 0 HA ALA A 88 14.165 -6.082 -5.041 1.00 0.00 H new ATOM 0 HB1 ALA A 88 15.362 -4.524 -3.537 1.00 0.00 H new ATOM 0 HB2 ALA A 88 13.620 -4.166 -3.609 1.00 0.00 H new ATOM 0 HB3 ALA A 88 14.297 -5.012 -2.197 1.00 0.00 H new ATOM 1306 N ASN A 89 16.443 -6.920 -3.929 1.00 0.00 N ATOM 1307 CA ASN A 89 17.567 -7.796 -3.618 1.00 0.00 C ATOM 1308 C ASN A 89 17.632 -8.086 -2.121 1.00 0.00 C ATOM 1309 O ASN A 89 17.967 -7.212 -1.323 1.00 0.00 O ATOM 1310 CB ASN A 89 18.879 -7.163 -4.083 1.00 0.00 C ATOM 1311 CG ASN A 89 19.032 -5.732 -3.604 1.00 0.00 C ATOM 1312 OD1 ASN A 89 19.429 -5.486 -2.465 1.00 0.00 O ATOM 1313 ND2 ASN A 89 18.717 -4.780 -4.475 1.00 0.00 N ATOM 0 H ASN A 89 16.697 -6.071 -4.435 1.00 0.00 H new ATOM 0 HA ASN A 89 17.419 -8.737 -4.147 1.00 0.00 H new ATOM 0 HB2 ASN A 89 19.716 -7.757 -3.717 1.00 0.00 H new ATOM 0 HB3 ASN A 89 18.924 -7.186 -5.172 1.00 0.00 H new ATOM 0 HD21 ASN A 89 18.800 -3.799 -4.210 1.00 0.00 H new ATOM 0 HD22 ASN A 89 18.392 -5.030 -5.409 1.00 0.00 H new ATOM 1320 N GLY A 90 17.309 -9.321 -1.748 1.00 0.00 N ATOM 1321 CA GLY A 90 17.337 -9.704 -0.349 1.00 0.00 C ATOM 1322 C GLY A 90 15.960 -9.692 0.284 1.00 0.00 C ATOM 1323 O GLY A 90 15.682 -10.471 1.195 1.00 0.00 O ATOM 0 H GLY A 90 17.029 -10.062 -2.390 1.00 0.00 H new ATOM 0 HA2 GLY A 90 17.767 -10.702 -0.257 1.00 0.00 H new ATOM 0 HA3 GLY A 90 17.990 -9.024 0.197 1.00 0.00 H new ATOM 1327 N GLU A 91 15.096 -8.805 -0.199 1.00 0.00 N ATOM 1328 CA GLU A 91 13.741 -8.694 0.327 1.00 0.00 C ATOM 1329 C GLU A 91 12.958 -9.982 0.091 1.00 0.00 C ATOM 1330 O GLU A 91 13.229 -10.741 -0.840 1.00 0.00 O ATOM 1331 CB GLU A 91 13.013 -7.515 -0.321 1.00 0.00 C ATOM 1332 CG GLU A 91 13.577 -6.160 0.073 1.00 0.00 C ATOM 1333 CD GLU A 91 13.447 -5.883 1.558 1.00 0.00 C ATOM 1334 OE1 GLU A 91 12.545 -6.469 2.193 1.00 0.00 O ATOM 1335 OE2 GLU A 91 14.247 -5.083 2.085 1.00 0.00 O ATOM 0 H GLU A 91 15.310 -8.153 -0.954 1.00 0.00 H new ATOM 0 HA GLU A 91 13.809 -8.523 1.401 1.00 0.00 H new ATOM 0 HB2 GLU A 91 13.064 -7.619 -1.405 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.959 -7.554 -0.046 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.628 -6.112 -0.211 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.060 -5.379 -0.485 1.00 0.00 H new ATOM 1342 N PRO A 92 11.962 -10.235 0.953 1.00 0.00 N ATOM 1343 CA PRO A 92 11.630 -9.340 2.065 1.00 0.00 C ATOM 1344 C PRO A 92 12.702 -9.341 3.150 1.00 0.00 C ATOM 1345 O PRO A 92 13.492 -10.279 3.255 1.00 0.00 O ATOM 1346 CB PRO A 92 10.320 -9.917 2.607 1.00 0.00 C ATOM 1347 CG PRO A 92 10.353 -11.356 2.222 1.00 0.00 C ATOM 1348 CD PRO A 92 11.084 -11.417 0.910 1.00 0.00 C ATOM 0 HA PRO A 92 11.553 -8.302 1.743 1.00 0.00 H new ATOM 0 HB2 PRO A 92 10.252 -9.798 3.688 1.00 0.00 H new ATOM 0 HB3 PRO A 92 9.456 -9.411 2.176 1.00 0.00 H new ATOM 0 HG2 PRO A 92 10.862 -11.951 2.980 1.00 0.00 H new ATOM 0 HG3 PRO A 92 9.344 -11.757 2.126 1.00 0.00 H new ATOM 0 HD2 PRO A 92 11.656 -12.339 0.812 1.00 0.00 H new ATOM 0 HD3 PRO A 92 10.397 -11.377 0.065 1.00 0.00 H new ATOM 1356 N SER A 93 12.724 -8.283 3.955 1.00 0.00 N ATOM 1357 CA SER A 93 13.701 -8.161 5.030 1.00 0.00 C ATOM 1358 C SER A 93 13.082 -8.539 6.372 1.00 0.00 C ATOM 1359 O SER A 93 11.921 -8.236 6.640 1.00 0.00 O ATOM 1360 CB SER A 93 14.246 -6.733 5.092 1.00 0.00 C ATOM 1361 OG SER A 93 15.564 -6.712 5.614 1.00 0.00 O ATOM 0 H SER A 93 12.076 -7.498 3.883 1.00 0.00 H new ATOM 0 HA SER A 93 14.522 -8.847 4.822 1.00 0.00 H new ATOM 0 HB2 SER A 93 14.240 -6.294 4.094 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.595 -6.119 5.714 1.00 0.00 H new ATOM 0 HG SER A 93 15.890 -5.788 5.642 1.00 0.00 H new ATOM 1367 N ASN A 94 13.869 -9.205 7.212 1.00 0.00 N ATOM 1368 CA ASN A 94 13.399 -9.626 8.527 1.00 0.00 C ATOM 1369 C ASN A 94 13.592 -8.516 9.555 1.00 0.00 C ATOM 1370 O ASN A 94 13.868 -8.781 10.726 1.00 0.00 O ATOM 1371 CB ASN A 94 14.140 -10.887 8.976 1.00 0.00 C ATOM 1372 CG ASN A 94 15.644 -10.698 8.995 1.00 0.00 C ATOM 1373 OD1 ASN A 94 16.317 -10.876 7.979 1.00 0.00 O ATOM 1374 ND2 ASN A 94 16.180 -10.335 10.155 1.00 0.00 N ATOM 0 H ASN A 94 14.834 -9.464 7.006 1.00 0.00 H new ATOM 0 HA ASN A 94 12.334 -9.845 8.452 1.00 0.00 H new ATOM 0 HB2 ASN A 94 13.800 -11.170 9.972 1.00 0.00 H new ATOM 0 HB3 ASN A 94 13.888 -11.710 8.307 1.00 0.00 H new ATOM 0 HD21 ASN A 94 17.187 -10.193 10.229 1.00 0.00 H new ATOM 0 HD22 ASN A 94 15.584 -10.199 10.972 1.00 0.00 H new ATOM 1381 N ASP A 95 13.445 -7.273 9.111 1.00 0.00 N ATOM 1382 CA ASP A 95 13.602 -6.122 9.992 1.00 0.00 C ATOM 1383 C ASP A 95 12.397 -5.977 10.916 1.00 0.00 C ATOM 1384 O ASP A 95 11.247 -5.949 10.476 1.00 0.00 O ATOM 1385 CB ASP A 95 13.788 -4.845 9.171 1.00 0.00 C ATOM 1386 CG ASP A 95 14.595 -3.795 9.908 1.00 0.00 C ATOM 1387 OD1 ASP A 95 14.232 -3.466 11.056 1.00 0.00 O ATOM 1388 OD2 ASP A 95 15.590 -3.301 9.336 1.00 0.00 O ATOM 0 H ASP A 95 13.217 -7.036 8.145 1.00 0.00 H new ATOM 0 HA ASP A 95 14.489 -6.283 10.604 1.00 0.00 H new ATOM 0 HB2 ASP A 95 14.286 -5.089 8.233 1.00 0.00 H new ATOM 0 HB3 ASP A 95 12.811 -4.435 8.916 1.00 0.00 H new ATOM 1393 N PRO A 96 12.663 -5.882 12.227 1.00 0.00 N ATOM 1394 CA PRO A 96 11.613 -5.738 13.240 1.00 0.00 C ATOM 1395 C PRO A 96 10.932 -4.375 13.180 1.00 0.00 C ATOM 1396 O PRO A 96 9.800 -4.214 13.636 1.00 0.00 O ATOM 1397 CB PRO A 96 12.370 -5.901 14.560 1.00 0.00 C ATOM 1398 CG PRO A 96 13.769 -5.496 14.247 1.00 0.00 C ATOM 1399 CD PRO A 96 14.010 -5.907 12.821 1.00 0.00 C ATOM 0 HA PRO A 96 10.810 -6.462 13.101 1.00 0.00 H new ATOM 0 HB2 PRO A 96 11.942 -5.274 15.342 1.00 0.00 H new ATOM 0 HB3 PRO A 96 12.326 -6.930 14.917 1.00 0.00 H new ATOM 0 HG2 PRO A 96 13.901 -4.421 14.371 1.00 0.00 H new ATOM 0 HG3 PRO A 96 14.476 -5.984 14.918 1.00 0.00 H new ATOM 0 HD2 PRO A 96 14.686 -5.219 12.313 1.00 0.00 H new ATOM 0 HD3 PRO A 96 14.458 -6.899 12.759 1.00 0.00 H new ATOM 1407 N THR A 97 11.629 -3.395 12.613 1.00 0.00 N ATOM 1408 CA THR A 97 11.092 -2.045 12.494 1.00 0.00 C ATOM 1409 C THR A 97 10.326 -1.872 11.188 1.00 0.00 C ATOM 1410 O THR A 97 9.264 -1.249 11.158 1.00 0.00 O ATOM 1411 CB THR A 97 12.210 -0.988 12.565 1.00 0.00 C ATOM 1412 OG1 THR A 97 13.196 -1.248 11.560 1.00 0.00 O ATOM 1413 CG2 THR A 97 12.866 -0.985 13.938 1.00 0.00 C ATOM 0 H THR A 97 12.567 -3.511 12.229 1.00 0.00 H new ATOM 0 HA THR A 97 10.411 -1.900 13.333 1.00 0.00 H new ATOM 0 HB THR A 97 11.764 -0.009 12.391 1.00 0.00 H new ATOM 0 HG1 THR A 97 13.661 -2.085 11.767 1.00 0.00 H new ATOM 0 HG21 THR A 97 13.652 -0.231 13.964 1.00 0.00 H new ATOM 0 HG22 THR A 97 12.119 -0.757 14.698 1.00 0.00 H new ATOM 0 HG23 THR A 97 13.298 -1.966 14.137 1.00 0.00 H new ATOM 1421 N ARG A 98 10.871 -2.426 10.110 1.00 0.00 N ATOM 1422 CA ARG A 98 10.238 -2.331 8.800 1.00 0.00 C ATOM 1423 C ARG A 98 9.230 -3.460 8.600 1.00 0.00 C ATOM 1424 O ARG A 98 9.599 -4.633 8.553 1.00 0.00 O ATOM 1425 CB ARG A 98 11.295 -2.376 7.695 1.00 0.00 C ATOM 1426 CG ARG A 98 12.516 -1.519 7.986 1.00 0.00 C ATOM 1427 CD ARG A 98 13.744 -2.032 7.249 1.00 0.00 C ATOM 1428 NE ARG A 98 13.662 -1.787 5.811 1.00 0.00 N ATOM 1429 CZ ARG A 98 14.687 -1.936 4.980 1.00 0.00 C ATOM 1430 NH1 ARG A 98 15.867 -2.327 5.442 1.00 0.00 N ATOM 1431 NH2 ARG A 98 14.534 -1.694 3.685 1.00 0.00 N ATOM 0 H ARG A 98 11.749 -2.945 10.118 1.00 0.00 H new ATOM 0 HA ARG A 98 9.708 -1.380 8.749 1.00 0.00 H new ATOM 0 HB2 ARG A 98 11.612 -3.408 7.549 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.844 -2.046 6.759 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.317 -0.489 7.691 1.00 0.00 H new ATOM 0 HG3 ARG A 98 12.710 -1.512 9.059 1.00 0.00 H new ATOM 0 HD2 ARG A 98 14.635 -1.548 7.649 1.00 0.00 H new ATOM 0 HD3 ARG A 98 13.854 -3.101 7.429 1.00 0.00 H new ATOM 0 HE ARG A 98 12.768 -1.485 5.424 1.00 0.00 H new ATOM 0 HH11 ARG A 98 15.989 -2.514 6.437 1.00 0.00 H new ATOM 0 HH12 ARG A 98 16.653 -2.441 4.802 1.00 0.00 H new ATOM 0 HH21 ARG A 98 13.628 -1.393 3.326 1.00 0.00 H new ATOM 0 HH22 ARG A 98 15.322 -1.809 3.048 1.00 0.00 H new ATOM 1445 N GLN A 99 7.957 -3.095 8.484 1.00 0.00 N ATOM 1446 CA GLN A 99 6.897 -4.077 8.291 1.00 0.00 C ATOM 1447 C GLN A 99 6.100 -3.776 7.025 1.00 0.00 C ATOM 1448 O GLN A 99 5.684 -4.688 6.310 1.00 0.00 O ATOM 1449 CB GLN A 99 5.964 -4.096 9.503 1.00 0.00 C ATOM 1450 CG GLN A 99 6.692 -3.997 10.833 1.00 0.00 C ATOM 1451 CD GLN A 99 5.944 -4.681 11.960 1.00 0.00 C ATOM 1452 OE1 GLN A 99 4.886 -4.220 12.389 1.00 0.00 O ATOM 1453 NE2 GLN A 99 6.492 -5.788 12.448 1.00 0.00 N ATOM 0 H GLN A 99 7.635 -2.128 8.520 1.00 0.00 H new ATOM 0 HA GLN A 99 7.360 -5.058 8.182 1.00 0.00 H new ATOM 0 HB2 GLN A 99 5.259 -3.268 9.422 1.00 0.00 H new ATOM 0 HB3 GLN A 99 5.379 -5.016 9.486 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.682 -4.443 10.735 1.00 0.00 H new ATOM 0 HG3 GLN A 99 6.840 -2.947 11.085 1.00 0.00 H new ATOM 0 HE21 GLN A 99 7.370 -6.135 12.063 1.00 0.00 H new ATOM 0 HE22 GLN A 99 6.035 -6.291 13.208 1.00 0.00 H new ATOM 1462 N CYS A 100 5.891 -2.492 6.755 1.00 0.00 N ATOM 1463 CA CYS A 100 5.144 -2.070 5.577 1.00 0.00 C ATOM 1464 C CYS A 100 6.054 -1.990 4.355 1.00 0.00 C ATOM 1465 O CYS A 100 7.245 -1.700 4.472 1.00 0.00 O ATOM 1466 CB CYS A 100 4.485 -0.712 5.824 1.00 0.00 C ATOM 1467 SG CYS A 100 3.292 -0.705 7.201 1.00 0.00 S ATOM 0 H CYS A 100 6.229 -1.725 7.337 1.00 0.00 H new ATOM 0 HA CYS A 100 4.370 -2.813 5.384 1.00 0.00 H new ATOM 0 HB2 CYS A 100 5.262 0.026 6.026 1.00 0.00 H new ATOM 0 HB3 CYS A 100 3.975 -0.396 4.914 1.00 0.00 H new ATOM 1472 N VAL A 101 5.486 -2.251 3.182 1.00 0.00 N ATOM 1473 CA VAL A 101 6.245 -2.207 1.938 1.00 0.00 C ATOM 1474 C VAL A 101 5.879 -0.978 1.113 1.00 0.00 C ATOM 1475 O VAL A 101 4.723 -0.555 1.090 1.00 0.00 O ATOM 1476 CB VAL A 101 6.005 -3.471 1.090 1.00 0.00 C ATOM 1477 CG1 VAL A 101 6.953 -3.503 -0.099 1.00 0.00 C ATOM 1478 CG2 VAL A 101 6.162 -4.721 1.942 1.00 0.00 C ATOM 0 H VAL A 101 4.502 -2.495 3.067 1.00 0.00 H new ATOM 0 HA VAL A 101 7.299 -2.156 2.212 1.00 0.00 H new ATOM 0 HB VAL A 101 4.984 -3.445 0.709 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.769 -4.402 -0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.787 -2.623 -0.721 1.00 0.00 H new ATOM 0 HG13 VAL A 101 7.983 -3.506 0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.989 -5.604 1.327 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.171 -4.757 2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.439 -4.699 2.757 1.00 0.00 H new ATOM 1488 N TYR A 102 6.871 -0.410 0.437 1.00 0.00 N ATOM 1489 CA TYR A 102 6.654 0.773 -0.388 1.00 0.00 C ATOM 1490 C TYR A 102 7.309 0.609 -1.757 1.00 0.00 C ATOM 1491 O TYR A 102 8.449 0.157 -1.863 1.00 0.00 O ATOM 1492 CB TYR A 102 7.208 2.016 0.310 1.00 0.00 C ATOM 1493 CG TYR A 102 8.698 2.200 0.127 1.00 0.00 C ATOM 1494 CD1 TYR A 102 9.206 2.832 -1.001 1.00 0.00 C ATOM 1495 CD2 TYR A 102 9.597 1.740 1.081 1.00 0.00 C ATOM 1496 CE1 TYR A 102 10.566 3.002 -1.173 1.00 0.00 C ATOM 1497 CE2 TYR A 102 10.959 1.906 0.918 1.00 0.00 C ATOM 1498 CZ TYR A 102 11.438 2.538 -0.211 1.00 0.00 C ATOM 1499 OH TYR A 102 12.794 2.705 -0.378 1.00 0.00 O ATOM 0 H TYR A 102 7.833 -0.749 0.444 1.00 0.00 H new ATOM 0 HA TYR A 102 5.580 0.894 -0.531 1.00 0.00 H new ATOM 0 HB2 TYR A 102 6.692 2.897 -0.072 1.00 0.00 H new ATOM 0 HB3 TYR A 102 6.986 1.953 1.375 1.00 0.00 H new ATOM 0 HD1 TYR A 102 8.526 3.197 -1.757 1.00 0.00 H new ATOM 0 HD2 TYR A 102 9.225 1.244 1.965 1.00 0.00 H new ATOM 0 HE1 TYR A 102 10.944 3.496 -2.056 1.00 0.00 H new ATOM 0 HE2 TYR A 102 11.644 1.543 1.670 1.00 0.00 H new ATOM 0 HH TYR A 102 13.091 2.202 -1.165 1.00 0.00 H new ATOM 1509 N PHE A 103 6.578 0.982 -2.803 1.00 0.00 N ATOM 1510 CA PHE A 103 7.086 0.877 -4.166 1.00 0.00 C ATOM 1511 C PHE A 103 8.343 1.724 -4.344 1.00 0.00 C ATOM 1512 O PHE A 103 8.274 2.952 -4.398 1.00 0.00 O ATOM 1513 CB PHE A 103 6.015 1.316 -5.167 1.00 0.00 C ATOM 1514 CG PHE A 103 6.246 0.797 -6.557 1.00 0.00 C ATOM 1515 CD1 PHE A 103 5.807 -0.465 -6.922 1.00 0.00 C ATOM 1516 CD2 PHE A 103 6.902 1.573 -7.500 1.00 0.00 C ATOM 1517 CE1 PHE A 103 6.019 -0.945 -8.200 1.00 0.00 C ATOM 1518 CE2 PHE A 103 7.116 1.098 -8.781 1.00 0.00 C ATOM 1519 CZ PHE A 103 6.673 -0.162 -9.131 1.00 0.00 C ATOM 0 H PHE A 103 5.633 1.359 -2.733 1.00 0.00 H new ATOM 0 HA PHE A 103 7.342 -0.166 -4.353 1.00 0.00 H new ATOM 0 HB2 PHE A 103 5.041 0.975 -4.818 1.00 0.00 H new ATOM 0 HB3 PHE A 103 5.980 2.405 -5.195 1.00 0.00 H new ATOM 0 HD1 PHE A 103 5.293 -1.081 -6.199 1.00 0.00 H new ATOM 0 HD2 PHE A 103 7.250 2.560 -7.231 1.00 0.00 H new ATOM 0 HE1 PHE A 103 5.674 -1.932 -8.471 1.00 0.00 H new ATOM 0 HE2 PHE A 103 7.629 1.712 -9.507 1.00 0.00 H new ATOM 0 HZ PHE A 103 6.838 -0.535 -10.131 1.00 0.00 H new ATOM 1529 N ASP A 104 9.489 1.059 -4.434 1.00 0.00 N ATOM 1530 CA ASP A 104 10.762 1.749 -4.607 1.00 0.00 C ATOM 1531 C ASP A 104 11.063 1.973 -6.086 1.00 0.00 C ATOM 1532 O ASP A 104 11.567 1.082 -6.769 1.00 0.00 O ATOM 1533 CB ASP A 104 11.893 0.948 -3.960 1.00 0.00 C ATOM 1534 CG ASP A 104 13.085 1.814 -3.603 1.00 0.00 C ATOM 1535 OD1 ASP A 104 13.278 2.858 -4.260 1.00 0.00 O ATOM 1536 OD2 ASP A 104 13.824 1.448 -2.665 1.00 0.00 O ATOM 0 H ASP A 104 9.563 0.043 -4.390 1.00 0.00 H new ATOM 0 HA ASP A 104 10.689 2.721 -4.118 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.520 0.460 -3.060 1.00 0.00 H new ATOM 0 HB3 ASP A 104 12.212 0.159 -4.642 1.00 0.00 H new ATOM 1541 N GLY A 105 10.748 3.168 -6.575 1.00 0.00 N ATOM 1542 CA GLY A 105 10.990 3.487 -7.970 1.00 0.00 C ATOM 1543 C GLY A 105 12.455 3.746 -8.259 1.00 0.00 C ATOM 1544 O GLY A 105 12.940 3.452 -9.352 1.00 0.00 O ATOM 0 H GLY A 105 10.329 3.922 -6.030 1.00 0.00 H new ATOM 0 HA2 GLY A 105 10.640 2.665 -8.594 1.00 0.00 H new ATOM 0 HA3 GLY A 105 10.407 4.366 -8.245 1.00 0.00 H new ATOM 1602 N LYS A 110 12.741 -2.230 -11.771 1.00 0.00 N ATOM 1603 CA LYS A 110 11.307 -2.257 -11.506 1.00 0.00 C ATOM 1604 C LYS A 110 10.905 -3.562 -10.825 1.00 0.00 C ATOM 1605 O LYS A 110 9.920 -3.610 -10.088 1.00 0.00 O ATOM 1606 CB LYS A 110 10.523 -2.087 -12.809 1.00 0.00 C ATOM 1607 CG LYS A 110 11.079 -2.903 -13.964 1.00 0.00 C ATOM 1608 CD LYS A 110 10.181 -2.821 -15.187 1.00 0.00 C ATOM 1609 CE LYS A 110 9.114 -3.904 -15.169 1.00 0.00 C ATOM 1610 NZ LYS A 110 8.562 -4.162 -16.527 1.00 0.00 N ATOM 0 HA LYS A 110 11.071 -1.430 -10.837 1.00 0.00 H new ATOM 0 HB2 LYS A 110 9.485 -2.374 -12.639 1.00 0.00 H new ATOM 0 HB3 LYS A 110 10.521 -1.033 -13.087 1.00 0.00 H new ATOM 0 HG2 LYS A 110 12.076 -2.543 -14.219 1.00 0.00 H new ATOM 0 HG3 LYS A 110 11.185 -3.944 -13.658 1.00 0.00 H new ATOM 0 HD2 LYS A 110 9.705 -1.841 -15.225 1.00 0.00 H new ATOM 0 HD3 LYS A 110 10.784 -2.918 -16.090 1.00 0.00 H new ATOM 0 HE2 LYS A 110 9.538 -4.825 -14.769 1.00 0.00 H new ATOM 0 HE3 LYS A 110 8.307 -3.607 -14.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.838 -4.906 -16.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 8.134 -3.290 -16.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 9.327 -4.470 -17.160 1.00 0.00 H new ATOM 1624 N SER A 111 11.674 -4.616 -11.075 1.00 0.00 N ATOM 1625 CA SER A 111 11.396 -5.922 -10.487 1.00 0.00 C ATOM 1626 C SER A 111 11.872 -5.978 -9.039 1.00 0.00 C ATOM 1627 O SER A 111 11.508 -6.883 -8.288 1.00 0.00 O ATOM 1628 CB SER A 111 12.074 -7.026 -11.302 1.00 0.00 C ATOM 1629 OG SER A 111 11.426 -8.271 -11.111 1.00 0.00 O ATOM 0 H SER A 111 12.494 -4.592 -11.681 1.00 0.00 H new ATOM 0 HA SER A 111 10.317 -6.078 -10.503 1.00 0.00 H new ATOM 0 HB2 SER A 111 12.059 -6.763 -12.360 1.00 0.00 H new ATOM 0 HB3 SER A 111 13.121 -7.108 -11.009 1.00 0.00 H new ATOM 0 HG SER A 111 11.877 -8.959 -11.643 1.00 0.00 H new ATOM 1635 N LYS A 112 12.688 -5.003 -8.653 1.00 0.00 N ATOM 1636 CA LYS A 112 13.214 -4.938 -7.294 1.00 0.00 C ATOM 1637 C LYS A 112 12.738 -3.674 -6.586 1.00 0.00 C ATOM 1638 O LYS A 112 13.463 -3.092 -5.780 1.00 0.00 O ATOM 1639 CB LYS A 112 14.744 -4.979 -7.316 1.00 0.00 C ATOM 1640 CG LYS A 112 15.311 -6.273 -7.873 1.00 0.00 C ATOM 1641 CD LYS A 112 16.809 -6.171 -8.105 1.00 0.00 C ATOM 1642 CE LYS A 112 17.375 -7.465 -8.671 1.00 0.00 C ATOM 1643 NZ LYS A 112 16.839 -7.757 -10.029 1.00 0.00 N ATOM 0 H LYS A 112 13.000 -4.247 -9.262 1.00 0.00 H new ATOM 0 HA LYS A 112 12.841 -5.802 -6.744 1.00 0.00 H new ATOM 0 HB2 LYS A 112 15.113 -4.144 -7.912 1.00 0.00 H new ATOM 0 HB3 LYS A 112 15.117 -4.836 -6.302 1.00 0.00 H new ATOM 0 HG2 LYS A 112 15.104 -7.090 -7.181 1.00 0.00 H new ATOM 0 HG3 LYS A 112 14.812 -6.516 -8.811 1.00 0.00 H new ATOM 0 HD2 LYS A 112 17.017 -5.351 -8.792 1.00 0.00 H new ATOM 0 HD3 LYS A 112 17.308 -5.934 -7.166 1.00 0.00 H new ATOM 0 HE2 LYS A 112 18.462 -7.397 -8.716 1.00 0.00 H new ATOM 0 HE3 LYS A 112 17.135 -8.290 -8.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 17.391 -8.524 -10.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 15.843 -8.047 -9.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 16.908 -6.904 -10.620 1.00 0.00 H new ATOM 1657 N VAL A 113 11.515 -3.255 -6.893 1.00 0.00 N ATOM 1658 CA VAL A 113 10.941 -2.060 -6.283 1.00 0.00 C ATOM 1659 C VAL A 113 10.382 -2.365 -4.898 1.00 0.00 C ATOM 1660 O VAL A 113 10.305 -1.484 -4.042 1.00 0.00 O ATOM 1661 CB VAL A 113 9.821 -1.467 -7.158 1.00 0.00 C ATOM 1662 CG1 VAL A 113 10.358 -1.089 -8.530 1.00 0.00 C ATOM 1663 CG2 VAL A 113 8.665 -2.449 -7.281 1.00 0.00 C ATOM 0 H VAL A 113 10.902 -3.724 -7.560 1.00 0.00 H new ATOM 0 HA VAL A 113 11.747 -1.331 -6.194 1.00 0.00 H new ATOM 0 HB VAL A 113 9.450 -0.562 -6.678 1.00 0.00 H new ATOM 0 HG11 VAL A 113 9.552 -0.672 -9.134 1.00 0.00 H new ATOM 0 HG12 VAL A 113 11.150 -0.348 -8.419 1.00 0.00 H new ATOM 0 HG13 VAL A 113 10.758 -1.976 -9.021 1.00 0.00 H new ATOM 0 HG21 VAL A 113 7.882 -2.014 -7.903 1.00 0.00 H new ATOM 0 HG22 VAL A 113 9.020 -3.373 -7.738 1.00 0.00 H new ATOM 0 HG23 VAL A 113 8.264 -2.665 -6.291 1.00 0.00 H new ATOM 1673 N TRP A 114 9.994 -3.617 -4.685 1.00 0.00 N ATOM 1674 CA TRP A 114 9.441 -4.038 -3.403 1.00 0.00 C ATOM 1675 C TRP A 114 10.490 -3.942 -2.300 1.00 0.00 C ATOM 1676 O TRP A 114 11.518 -4.619 -2.345 1.00 0.00 O ATOM 1677 CB TRP A 114 8.913 -5.470 -3.497 1.00 0.00 C ATOM 1678 CG TRP A 114 7.538 -5.558 -4.086 1.00 0.00 C ATOM 1679 CD1 TRP A 114 6.869 -4.575 -4.758 1.00 0.00 C ATOM 1680 CD2 TRP A 114 6.663 -6.691 -4.054 1.00 0.00 C ATOM 1681 NE1 TRP A 114 5.631 -5.028 -5.145 1.00 0.00 N ATOM 1682 CE2 TRP A 114 5.481 -6.324 -4.727 1.00 0.00 C ATOM 1683 CE3 TRP A 114 6.764 -7.981 -3.526 1.00 0.00 C ATOM 1684 CZ2 TRP A 114 4.410 -7.200 -4.881 1.00 0.00 C ATOM 1685 CZ3 TRP A 114 5.700 -8.849 -3.680 1.00 0.00 C ATOM 1686 CH2 TRP A 114 4.536 -8.456 -4.353 1.00 0.00 C ATOM 0 H TRP A 114 10.052 -4.358 -5.383 1.00 0.00 H new ATOM 0 HA TRP A 114 8.616 -3.370 -3.155 1.00 0.00 H new ATOM 0 HB2 TRP A 114 9.598 -6.063 -4.102 1.00 0.00 H new ATOM 0 HB3 TRP A 114 8.903 -5.912 -2.501 1.00 0.00 H new ATOM 0 HD1 TRP A 114 7.256 -3.587 -4.956 1.00 0.00 H new ATOM 0 HE1 TRP A 114 4.936 -4.487 -5.660 1.00 0.00 H new ATOM 0 HE3 TRP A 114 7.658 -8.294 -3.007 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 3.511 -6.899 -5.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 5.767 -9.848 -3.274 1.00 0.00 H new ATOM 0 HH2 TRP A 114 3.722 -9.158 -4.457 1.00 0.00 H new ATOM 1697 N THR A 115 10.226 -3.095 -1.310 1.00 0.00 N ATOM 1698 CA THR A 115 11.148 -2.910 -0.196 1.00 0.00 C ATOM 1699 C THR A 115 10.398 -2.587 1.091 1.00 0.00 C ATOM 1700 O THR A 115 9.464 -1.783 1.093 1.00 0.00 O ATOM 1701 CB THR A 115 12.158 -1.783 -0.485 1.00 0.00 C ATOM 1702 OG1 THR A 115 12.926 -2.101 -1.651 1.00 0.00 O ATOM 1703 CG2 THR A 115 13.089 -1.575 0.700 1.00 0.00 C ATOM 0 H THR A 115 9.381 -2.526 -1.257 1.00 0.00 H new ATOM 0 HA THR A 115 11.687 -3.849 -0.073 1.00 0.00 H new ATOM 0 HB THR A 115 11.602 -0.861 -0.657 1.00 0.00 H new ATOM 0 HG1 THR A 115 13.564 -1.379 -1.829 1.00 0.00 H new ATOM 0 HG21 THR A 115 13.793 -0.775 0.473 1.00 0.00 H new ATOM 0 HG22 THR A 115 12.504 -1.305 1.579 1.00 0.00 H new ATOM 0 HG23 THR A 115 13.638 -2.496 0.898 1.00 0.00 H new ATOM 1711 N THR A 116 10.812 -3.217 2.186 1.00 0.00 N ATOM 1712 CA THR A 116 10.178 -2.997 3.480 1.00 0.00 C ATOM 1713 C THR A 116 10.655 -1.694 4.111 1.00 0.00 C ATOM 1714 O THR A 116 11.774 -1.244 3.860 1.00 0.00 O ATOM 1715 CB THR A 116 10.464 -4.159 4.450 1.00 0.00 C ATOM 1716 OG1 THR A 116 11.875 -4.285 4.661 1.00 0.00 O ATOM 1717 CG2 THR A 116 9.909 -5.467 3.907 1.00 0.00 C ATOM 0 H THR A 116 11.584 -3.884 2.202 1.00 0.00 H new ATOM 0 HA THR A 116 9.104 -2.939 3.301 1.00 0.00 H new ATOM 0 HB THR A 116 9.973 -3.940 5.398 1.00 0.00 H new ATOM 0 HG1 THR A 116 12.048 -4.483 5.605 1.00 0.00 H new ATOM 0 HG21 THR A 116 10.123 -6.273 4.609 1.00 0.00 H new ATOM 0 HG22 THR A 116 8.831 -5.378 3.775 1.00 0.00 H new ATOM 0 HG23 THR A 116 10.375 -5.689 2.947 1.00 0.00 H new ATOM 1725 N ASP A 117 9.801 -1.092 4.931 1.00 0.00 N ATOM 1726 CA ASP A 117 10.137 0.160 5.600 1.00 0.00 C ATOM 1727 C ASP A 117 9.131 0.473 6.703 1.00 0.00 C ATOM 1728 O ASP A 117 8.001 -0.017 6.686 1.00 0.00 O ATOM 1729 CB ASP A 117 10.179 1.307 4.590 1.00 0.00 C ATOM 1730 CG ASP A 117 11.101 2.429 5.026 1.00 0.00 C ATOM 1731 OD1 ASP A 117 12.093 2.143 5.728 1.00 0.00 O ATOM 1732 OD2 ASP A 117 10.830 3.593 4.665 1.00 0.00 O ATOM 0 H ASP A 117 8.871 -1.450 5.149 1.00 0.00 H new ATOM 0 HA ASP A 117 11.122 0.049 6.053 1.00 0.00 H new ATOM 0 HB2 ASP A 117 10.508 0.925 3.624 1.00 0.00 H new ATOM 0 HB3 ASP A 117 9.172 1.701 4.450 1.00 0.00 H new ATOM 1737 N THR A 118 9.548 1.293 7.663 1.00 0.00 N ATOM 1738 CA THR A 118 8.685 1.670 8.775 1.00 0.00 C ATOM 1739 C THR A 118 7.371 2.261 8.275 1.00 0.00 C ATOM 1740 O THR A 118 7.339 2.962 7.264 1.00 0.00 O ATOM 1741 CB THR A 118 9.374 2.690 9.700 1.00 0.00 C ATOM 1742 OG1 THR A 118 8.535 2.978 10.824 1.00 0.00 O ATOM 1743 CG2 THR A 118 9.685 3.977 8.951 1.00 0.00 C ATOM 0 H THR A 118 10.479 1.709 7.692 1.00 0.00 H new ATOM 0 HA THR A 118 8.480 0.760 9.339 1.00 0.00 H new ATOM 0 HB THR A 118 10.311 2.255 10.048 1.00 0.00 H new ATOM 0 HG1 THR A 118 8.981 3.626 11.408 1.00 0.00 H new ATOM 0 HG21 THR A 118 10.171 4.682 9.625 1.00 0.00 H new ATOM 0 HG22 THR A 118 10.348 3.759 8.114 1.00 0.00 H new ATOM 0 HG23 THR A 118 8.759 4.413 8.577 1.00 0.00 H new ATOM 1751 N CYS A 119 6.289 1.973 8.991 1.00 0.00 N ATOM 1752 CA CYS A 119 4.971 2.476 8.621 1.00 0.00 C ATOM 1753 C CYS A 119 4.743 3.873 9.191 1.00 0.00 C ATOM 1754 O CYS A 119 3.609 4.263 9.469 1.00 0.00 O ATOM 1755 CB CYS A 119 3.881 1.525 9.119 1.00 0.00 C ATOM 1756 SG CYS A 119 4.268 -0.239 8.881 1.00 0.00 S ATOM 0 H CYS A 119 6.299 1.394 9.831 1.00 0.00 H new ATOM 0 HA CYS A 119 4.923 2.534 7.534 1.00 0.00 H new ATOM 0 HB2 CYS A 119 3.710 1.709 10.180 1.00 0.00 H new ATOM 0 HB3 CYS A 119 2.949 1.755 8.602 1.00 0.00 H new ATOM 1761 N ALA A 120 5.828 4.622 9.361 1.00 0.00 N ATOM 1762 CA ALA A 120 5.746 5.975 9.895 1.00 0.00 C ATOM 1763 C ALA A 120 6.357 6.984 8.930 1.00 0.00 C ATOM 1764 O ALA A 120 6.132 8.189 9.049 1.00 0.00 O ATOM 1765 CB ALA A 120 6.436 6.051 11.249 1.00 0.00 C ATOM 0 H ALA A 120 6.774 4.314 9.136 1.00 0.00 H new ATOM 0 HA ALA A 120 4.693 6.226 10.022 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.367 7.068 11.636 1.00 0.00 H new ATOM 0 HB2 ALA A 120 5.951 5.365 11.943 1.00 0.00 H new ATOM 0 HB3 ALA A 120 7.485 5.775 11.139 1.00 0.00 H new ATOM 1771 N THR A 121 7.133 6.486 7.972 1.00 0.00 N ATOM 1772 CA THR A 121 7.779 7.344 6.987 1.00 0.00 C ATOM 1773 C THR A 121 6.751 7.998 6.070 1.00 0.00 C ATOM 1774 O THR A 121 5.978 7.327 5.386 1.00 0.00 O ATOM 1775 CB THR A 121 8.787 6.555 6.130 1.00 0.00 C ATOM 1776 OG1 THR A 121 9.831 6.033 6.958 1.00 0.00 O ATOM 1777 CG2 THR A 121 9.385 7.440 5.047 1.00 0.00 C ATOM 0 H THR A 121 7.329 5.492 7.858 1.00 0.00 H new ATOM 0 HA THR A 121 8.312 8.117 7.541 1.00 0.00 H new ATOM 0 HB THR A 121 8.258 5.731 5.652 1.00 0.00 H new ATOM 0 HG1 THR A 121 10.467 5.531 6.406 1.00 0.00 H new ATOM 0 HG21 THR A 121 10.094 6.861 4.455 1.00 0.00 H new ATOM 0 HG22 THR A 121 8.590 7.812 4.401 1.00 0.00 H new ATOM 0 HG23 THR A 121 9.900 8.282 5.509 1.00 0.00 H new ATOM 1785 N PRO A 122 6.741 9.339 6.054 1.00 0.00 N ATOM 1786 CA PRO A 122 5.814 10.113 5.223 1.00 0.00 C ATOM 1787 C PRO A 122 6.134 10.000 3.737 1.00 0.00 C ATOM 1788 O PRO A 122 7.100 10.591 3.254 1.00 0.00 O ATOM 1789 CB PRO A 122 6.021 11.551 5.707 1.00 0.00 C ATOM 1790 CG PRO A 122 7.404 11.569 6.260 1.00 0.00 C ATOM 1791 CD PRO A 122 7.634 10.203 6.844 1.00 0.00 C ATOM 0 HA PRO A 122 4.788 9.759 5.320 1.00 0.00 H new ATOM 0 HB2 PRO A 122 5.912 12.263 4.889 1.00 0.00 H new ATOM 0 HB3 PRO A 122 5.287 11.823 6.466 1.00 0.00 H new ATOM 0 HG2 PRO A 122 8.133 11.788 5.480 1.00 0.00 H new ATOM 0 HG3 PRO A 122 7.510 12.342 7.021 1.00 0.00 H new ATOM 0 HD2 PRO A 122 8.676 9.896 6.751 1.00 0.00 H new ATOM 0 HD3 PRO A 122 7.387 10.173 7.905 1.00 0.00 H new ATOM 1799 N ARG A 123 5.317 9.238 3.017 1.00 0.00 N ATOM 1800 CA ARG A 123 5.515 9.047 1.585 1.00 0.00 C ATOM 1801 C ARG A 123 4.179 9.045 0.848 1.00 0.00 C ATOM 1802 O ARG A 123 3.117 8.844 1.437 1.00 0.00 O ATOM 1803 CB ARG A 123 6.256 7.735 1.321 1.00 0.00 C ATOM 1804 CG ARG A 123 7.769 7.884 1.300 1.00 0.00 C ATOM 1805 CD ARG A 123 8.438 6.684 0.650 1.00 0.00 C ATOM 1806 NE ARG A 123 9.861 6.610 0.969 1.00 0.00 N ATOM 1807 CZ ARG A 123 10.764 7.466 0.503 1.00 0.00 C ATOM 1808 NH1 ARG A 123 10.393 8.455 -0.299 1.00 0.00 N ATOM 1809 NH2 ARG A 123 12.041 7.334 0.839 1.00 0.00 N ATOM 0 H ARG A 123 4.512 8.743 3.401 1.00 0.00 H new ATOM 0 HA ARG A 123 6.116 9.877 1.213 1.00 0.00 H new ATOM 0 HB2 ARG A 123 5.981 7.011 2.088 1.00 0.00 H new ATOM 0 HB3 ARG A 123 5.926 7.327 0.366 1.00 0.00 H new ATOM 0 HG2 ARG A 123 8.039 8.790 0.758 1.00 0.00 H new ATOM 0 HG3 ARG A 123 8.138 8.000 2.319 1.00 0.00 H new ATOM 0 HD2 ARG A 123 7.944 5.770 0.982 1.00 0.00 H new ATOM 0 HD3 ARG A 123 8.312 6.740 -0.431 1.00 0.00 H new ATOM 0 HE ARG A 123 10.179 5.860 1.583 1.00 0.00 H new ATOM 0 HH11 ARG A 123 9.412 8.560 -0.559 1.00 0.00 H new ATOM 0 HH12 ARG A 123 11.088 9.111 -0.655 1.00 0.00 H new ATOM 0 HH21 ARG A 123 12.330 6.575 1.456 1.00 0.00 H new ATOM 0 HH22 ARG A 123 12.733 7.992 0.481 1.00 0.00 H new ATOM 1823 N PRO A 124 4.231 9.276 -0.473 1.00 0.00 N ATOM 1824 CA PRO A 124 3.035 9.306 -1.319 1.00 0.00 C ATOM 1825 C PRO A 124 2.407 7.927 -1.486 1.00 0.00 C ATOM 1826 O PRO A 124 3.063 6.906 -1.276 1.00 0.00 O ATOM 1827 CB PRO A 124 3.562 9.820 -2.661 1.00 0.00 C ATOM 1828 CG PRO A 124 5.004 9.442 -2.671 1.00 0.00 C ATOM 1829 CD PRO A 124 5.463 9.524 -1.241 1.00 0.00 C ATOM 0 HA PRO A 124 2.248 9.926 -0.889 1.00 0.00 H new ATOM 0 HB2 PRO A 124 3.028 9.367 -3.496 1.00 0.00 H new ATOM 0 HB3 PRO A 124 3.435 10.899 -2.749 1.00 0.00 H new ATOM 0 HG2 PRO A 124 5.141 8.436 -3.068 1.00 0.00 H new ATOM 0 HG3 PRO A 124 5.580 10.116 -3.305 1.00 0.00 H new ATOM 0 HD2 PRO A 124 6.230 8.781 -1.022 1.00 0.00 H new ATOM 0 HD3 PRO A 124 5.890 10.500 -1.011 1.00 0.00 H new ATOM 1837 N PHE A 125 1.134 7.903 -1.864 1.00 0.00 N ATOM 1838 CA PHE A 125 0.417 6.648 -2.059 1.00 0.00 C ATOM 1839 C PHE A 125 -0.498 6.727 -3.277 1.00 0.00 C ATOM 1840 O PHE A 125 -0.504 7.725 -3.998 1.00 0.00 O ATOM 1841 CB PHE A 125 -0.402 6.305 -0.813 1.00 0.00 C ATOM 1842 CG PHE A 125 -1.136 7.481 -0.235 1.00 0.00 C ATOM 1843 CD1 PHE A 125 -0.441 8.541 0.325 1.00 0.00 C ATOM 1844 CD2 PHE A 125 -2.520 7.528 -0.254 1.00 0.00 C ATOM 1845 CE1 PHE A 125 -1.114 9.624 0.857 1.00 0.00 C ATOM 1846 CE2 PHE A 125 -3.199 8.609 0.277 1.00 0.00 C ATOM 1847 CZ PHE A 125 -2.495 9.659 0.832 1.00 0.00 C ATOM 0 H PHE A 125 0.577 8.739 -2.042 1.00 0.00 H new ATOM 0 HA PHE A 125 1.152 5.862 -2.230 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -1.121 5.526 -1.064 1.00 0.00 H new ATOM 0 HB3 PHE A 125 0.262 5.893 -0.054 1.00 0.00 H new ATOM 0 HD1 PHE A 125 0.639 8.520 0.346 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -3.076 6.710 -0.689 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -0.561 10.443 1.292 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -4.279 8.632 0.258 1.00 0.00 H new ATOM 0 HZ PHE A 125 -3.023 10.506 1.246 1.00 0.00 H new ATOM 1857 N ILE A 126 -1.270 5.669 -3.499 1.00 0.00 N ATOM 1858 CA ILE A 126 -2.190 5.618 -4.629 1.00 0.00 C ATOM 1859 C ILE A 126 -3.491 4.919 -4.248 1.00 0.00 C ATOM 1860 O ILE A 126 -3.497 3.996 -3.433 1.00 0.00 O ATOM 1861 CB ILE A 126 -1.563 4.891 -5.833 1.00 0.00 C ATOM 1862 CG1 ILE A 126 -0.365 5.680 -6.366 1.00 0.00 C ATOM 1863 CG2 ILE A 126 -2.600 4.688 -6.928 1.00 0.00 C ATOM 1864 CD1 ILE A 126 0.339 5.003 -7.521 1.00 0.00 C ATOM 0 H ILE A 126 -1.277 4.835 -2.911 1.00 0.00 H new ATOM 0 HA ILE A 126 -2.403 6.650 -4.909 1.00 0.00 H new ATOM 0 HB ILE A 126 -1.213 3.912 -5.505 1.00 0.00 H new ATOM 0 HG12 ILE A 126 -0.703 6.666 -6.685 1.00 0.00 H new ATOM 0 HG13 ILE A 126 0.348 5.833 -5.556 1.00 0.00 H new ATOM 0 HG21 ILE A 126 -2.142 4.173 -7.772 1.00 0.00 H new ATOM 0 HG22 ILE A 126 -3.425 4.089 -6.542 1.00 0.00 H new ATOM 0 HG23 ILE A 126 -2.978 5.657 -7.256 1.00 0.00 H new ATOM 0 HD11 ILE A 126 1.177 5.618 -7.847 1.00 0.00 H new ATOM 0 HD12 ILE A 126 0.707 4.028 -7.202 1.00 0.00 H new ATOM 0 HD13 ILE A 126 -0.360 4.874 -8.348 1.00 0.00 H new ATOM 1876 N CYS A 127 -4.591 5.364 -4.845 1.00 0.00 N ATOM 1877 CA CYS A 127 -5.899 4.781 -4.570 1.00 0.00 C ATOM 1878 C CYS A 127 -6.449 4.073 -5.805 1.00 0.00 C ATOM 1879 O CYS A 127 -6.590 4.677 -6.868 1.00 0.00 O ATOM 1880 CB CYS A 127 -6.878 5.865 -4.112 1.00 0.00 C ATOM 1881 SG CYS A 127 -6.177 7.040 -2.910 1.00 0.00 S ATOM 0 H CYS A 127 -4.603 6.126 -5.522 1.00 0.00 H new ATOM 0 HA CYS A 127 -5.782 4.047 -3.773 1.00 0.00 H new ATOM 0 HB2 CYS A 127 -7.225 6.418 -4.985 1.00 0.00 H new ATOM 0 HB3 CYS A 127 -7.752 5.387 -3.669 1.00 0.00 H new ATOM 1886 N GLN A 128 -6.757 2.788 -5.655 1.00 0.00 N ATOM 1887 CA GLN A 128 -7.291 1.998 -6.758 1.00 0.00 C ATOM 1888 C GLN A 128 -8.720 1.551 -6.465 1.00 0.00 C ATOM 1889 O GLN A 128 -9.041 1.157 -5.344 1.00 0.00 O ATOM 1890 CB GLN A 128 -6.405 0.778 -7.014 1.00 0.00 C ATOM 1891 CG GLN A 128 -7.135 -0.375 -7.684 1.00 0.00 C ATOM 1892 CD GLN A 128 -6.256 -1.597 -7.864 1.00 0.00 C ATOM 1893 OE1 GLN A 128 -5.032 -1.516 -7.761 1.00 0.00 O ATOM 1894 NE2 GLN A 128 -6.878 -2.739 -8.134 1.00 0.00 N ATOM 0 H GLN A 128 -6.646 2.273 -4.782 1.00 0.00 H new ATOM 0 HA GLN A 128 -7.301 2.625 -7.650 1.00 0.00 H new ATOM 0 HB2 GLN A 128 -5.563 1.076 -7.639 1.00 0.00 H new ATOM 0 HB3 GLN A 128 -5.992 0.434 -6.066 1.00 0.00 H new ATOM 0 HG2 GLN A 128 -8.007 -0.644 -7.087 1.00 0.00 H new ATOM 0 HG3 GLN A 128 -7.503 -0.050 -8.657 1.00 0.00 H new ATOM 0 HE21 GLN A 128 -7.895 -2.760 -8.210 1.00 0.00 H new ATOM 0 HE22 GLN A 128 -6.339 -3.595 -8.265 1.00 0.00 H new