USER MOD reduce.3.24.130724 H: found=0, std=0, add=983, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 985 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 12 SER OG : rot -139:sc= -1.63 USER MOD Set 1.2: A 74 HIS : no HD1:sc= -3.22! C(o=-4.9!,f=-10!) USER MOD Set 2.1: A 10 TYR OH : rot -164:sc= 1.15 USER MOD Set 2.2: A 52 GLN : amide:sc= -5.37! C(o=-4.2!,f=-6.1!) USER MOD Set 3.1: A 7 THR OG1 : rot -74:sc= 1.68 USER MOD Set 3.2: A 85 SER OG : rot 152:sc= 0.482 USER MOD Single : A 6 THR OG1 : rot -14:sc= 0.611 USER MOD Single : A 13 GLN :FLIP amide:sc= -0.115 F(o=-2.2!,f=-0.12) USER MOD Single : A 15 HIS : no HE2:sc= -4.56! C(o=-4.6!,f=-8!) USER MOD Single : A 28 HIS : no HD1:sc= -0.0639 X(o=-0.064,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 50:sc= 0.314 USER MOD Single : A 33 LYS NZ :NH3+ -167:sc= -1.16 (180deg=-1.61) USER MOD Single : A 34 ASN : amide:sc= -0.0389 K(o=-0.039,f=-1.4) USER MOD Single : A 40 THR OG1 : rot 141:sc= -0.372 USER MOD Single : A 46 ASN :FLIP amide:sc= -0.535 F(o=-3.4!,f=-0.54) USER MOD Single : A 49 GLN : amide:sc= -0.0192 K(o=-0.019,f=-0.69) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0173 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.632 K(o=-0.63,f=-1.2) USER MOD Single : A 70 SER OG : rot -39:sc= 0.829 USER MOD Single : A 81 MET CE :methyl -168:sc= -3.35! (180deg=-4.32!) USER MOD Single : A 84 TYR OH : rot 44:sc= 1.28 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 93 THR OG1 : rot -34:sc= 0.197 USER MOD Single : A 95 MET CE :methyl -158:sc= -2.74! (180deg=-4.04!) USER MOD Single : A 105 THR OG1 : rot -27:sc= 1.22 USER MOD Single : A 128 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot -85:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 62 N LEU A 5 17.071 -2.862 4.607 1.00 0.00 N ATOM 63 CA LEU A 5 15.799 -2.372 4.120 1.00 0.00 C ATOM 64 C LEU A 5 14.681 -2.772 5.067 1.00 0.00 C ATOM 65 O LEU A 5 14.908 -3.472 6.055 1.00 0.00 O ATOM 66 CB LEU A 5 15.546 -2.939 2.725 1.00 0.00 C ATOM 67 CG LEU A 5 14.769 -2.033 1.772 1.00 0.00 C ATOM 68 CD1 LEU A 5 15.568 -0.771 1.488 1.00 0.00 C ATOM 69 CD2 LEU A 5 14.456 -2.770 0.478 1.00 0.00 C ATOM 0 HA LEU A 5 15.825 -1.284 4.068 1.00 0.00 H new ATOM 0 HB2 LEU A 5 16.508 -3.175 2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 5 15.003 -3.878 2.828 1.00 0.00 H new ATOM 0 HG LEU A 5 13.827 -1.752 2.242 1.00 0.00 H new ATOM 0 HD11 LEU A 5 15.007 -0.130 0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 5 15.750 -0.238 2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 5 16.521 -1.039 1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 5 13.902 -2.111 -0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 5 15.386 -3.075 -0.001 1.00 0.00 H new ATOM 0 HD23 LEU A 5 13.855 -3.652 0.698 1.00 0.00 H new ATOM 81 N THR A 6 13.479 -2.310 4.771 1.00 0.00 N ATOM 82 CA THR A 6 12.322 -2.608 5.598 1.00 0.00 C ATOM 83 C THR A 6 11.038 -2.443 4.790 1.00 0.00 C ATOM 84 O THR A 6 11.016 -1.723 3.795 1.00 0.00 O ATOM 85 CB THR A 6 12.298 -1.688 6.831 1.00 0.00 C ATOM 86 OG1 THR A 6 13.506 -1.851 7.584 1.00 0.00 O ATOM 87 CG2 THR A 6 11.105 -1.991 7.723 1.00 0.00 C ATOM 0 H THR A 6 13.278 -1.724 3.960 1.00 0.00 H new ATOM 0 HA THR A 6 12.391 -3.642 5.935 1.00 0.00 H new ATOM 0 HB THR A 6 12.215 -0.659 6.480 1.00 0.00 H new ATOM 0 HG1 THR A 6 13.976 -2.655 7.278 1.00 0.00 H new ATOM 0 HG21 THR A 6 11.117 -1.324 8.585 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.183 -1.841 7.161 1.00 0.00 H new ATOM 0 HG23 THR A 6 11.159 -3.025 8.063 1.00 0.00 H new ATOM 95 N THR A 7 9.971 -3.110 5.211 1.00 0.00 N ATOM 96 CA THR A 7 8.703 -3.025 4.503 1.00 0.00 C ATOM 97 C THR A 7 7.585 -2.530 5.407 1.00 0.00 C ATOM 98 O THR A 7 7.003 -3.302 6.170 1.00 0.00 O ATOM 99 CB THR A 7 8.289 -4.385 3.906 1.00 0.00 C ATOM 100 OG1 THR A 7 9.348 -4.909 3.099 1.00 0.00 O ATOM 101 CG2 THR A 7 7.023 -4.245 3.066 1.00 0.00 C ATOM 0 H THR A 7 9.959 -3.712 6.034 1.00 0.00 H new ATOM 0 HA THR A 7 8.857 -2.309 3.695 1.00 0.00 H new ATOM 0 HB THR A 7 8.087 -5.072 4.728 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.396 -4.409 2.257 1.00 0.00 H new ATOM 0 HG21 THR A 7 6.750 -5.217 2.655 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.211 -3.874 3.691 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.203 -3.544 2.251 1.00 0.00 H new ATOM 109 N LEU A 8 7.294 -1.238 5.321 1.00 0.00 N ATOM 110 CA LEU A 8 6.242 -0.638 6.090 1.00 0.00 C ATOM 111 C LEU A 8 4.947 -0.714 5.308 1.00 0.00 C ATOM 112 O LEU A 8 4.888 -0.272 4.172 1.00 0.00 O ATOM 113 CB LEU A 8 6.607 0.793 6.356 1.00 0.00 C ATOM 114 CG LEU A 8 5.571 1.623 7.070 1.00 0.00 C ATOM 115 CD1 LEU A 8 4.524 2.148 6.108 1.00 0.00 C ATOM 116 CD2 LEU A 8 4.920 0.870 8.210 1.00 0.00 C ATOM 0 H LEU A 8 7.789 -0.587 4.712 1.00 0.00 H new ATOM 0 HA LEU A 8 6.111 -1.163 7.036 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.524 0.809 6.945 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.832 1.272 5.403 1.00 0.00 H new ATOM 0 HG LEU A 8 6.097 2.475 7.501 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.792 2.742 6.655 1.00 0.00 H new ATOM 0 HD12 LEU A 8 5.004 2.770 5.352 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.022 1.310 5.624 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.181 1.509 8.693 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.429 -0.023 7.823 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.680 0.581 8.936 1.00 0.00 H new ATOM 128 N ILE A 9 3.915 -1.263 5.903 1.00 0.00 N ATOM 129 CA ILE A 9 2.644 -1.379 5.215 1.00 0.00 C ATOM 130 C ILE A 9 1.530 -0.862 6.104 1.00 0.00 C ATOM 131 O ILE A 9 1.487 -1.174 7.284 1.00 0.00 O ATOM 132 CB ILE A 9 2.396 -2.839 4.792 1.00 0.00 C ATOM 133 CG1 ILE A 9 3.522 -3.293 3.858 1.00 0.00 C ATOM 134 CG2 ILE A 9 1.041 -2.994 4.120 1.00 0.00 C ATOM 135 CD1 ILE A 9 3.358 -4.699 3.332 1.00 0.00 C ATOM 0 H ILE A 9 3.925 -1.634 6.853 1.00 0.00 H new ATOM 0 HA ILE A 9 2.666 -0.772 4.310 1.00 0.00 H new ATOM 0 HB ILE A 9 2.390 -3.468 5.682 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.579 -2.605 3.014 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.471 -3.224 4.390 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.894 -4.035 3.833 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.255 -2.695 4.813 1.00 0.00 H new ATOM 0 HG23 ILE A 9 1.001 -2.363 3.232 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.196 -4.943 2.679 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.333 -5.399 4.167 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.427 -4.771 2.770 1.00 0.00 H new ATOM 147 N TYR A 10 0.643 -0.048 5.545 1.00 0.00 N ATOM 148 CA TYR A 10 -0.442 0.524 6.328 1.00 0.00 C ATOM 149 C TYR A 10 -1.737 0.576 5.530 1.00 0.00 C ATOM 150 O TYR A 10 -1.749 0.337 4.324 1.00 0.00 O ATOM 151 CB TYR A 10 -0.067 1.944 6.787 1.00 0.00 C ATOM 152 CG TYR A 10 -0.061 2.967 5.672 1.00 0.00 C ATOM 153 CD1 TYR A 10 -1.245 3.529 5.210 1.00 0.00 C ATOM 154 CD2 TYR A 10 1.130 3.375 5.091 1.00 0.00 C ATOM 155 CE1 TYR A 10 -1.242 4.466 4.198 1.00 0.00 C ATOM 156 CE2 TYR A 10 1.142 4.313 4.079 1.00 0.00 C ATOM 157 CZ TYR A 10 -0.049 4.855 3.635 1.00 0.00 C ATOM 158 OH TYR A 10 -0.044 5.791 2.627 1.00 0.00 O ATOM 0 H TYR A 10 0.653 0.228 4.563 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.599 -0.116 7.196 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -0.769 2.264 7.557 1.00 0.00 H new ATOM 0 HB3 TYR A 10 0.920 1.917 7.248 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -2.183 3.227 5.651 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.062 2.952 5.436 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -2.171 4.892 3.850 1.00 0.00 H new ATOM 0 HE2 TYR A 10 2.077 4.622 3.636 1.00 0.00 H new ATOM 0 HH TYR A 10 0.821 5.771 2.166 1.00 0.00 H new ATOM 168 N ARG A 11 -2.827 0.888 6.219 1.00 0.00 N ATOM 169 CA ARG A 11 -4.127 1.018 5.572 1.00 0.00 C ATOM 170 C ARG A 11 -4.952 2.099 6.253 1.00 0.00 C ATOM 171 O ARG A 11 -5.028 2.163 7.479 1.00 0.00 O ATOM 172 CB ARG A 11 -4.894 -0.307 5.560 1.00 0.00 C ATOM 173 CG ARG A 11 -5.630 -0.623 6.849 1.00 0.00 C ATOM 174 CD ARG A 11 -6.520 -1.846 6.689 1.00 0.00 C ATOM 175 NE ARG A 11 -5.912 -3.056 7.233 1.00 0.00 N ATOM 176 CZ ARG A 11 -5.743 -4.174 6.534 1.00 0.00 C ATOM 177 NH1 ARG A 11 -6.108 -4.226 5.259 1.00 0.00 N ATOM 178 NH2 ARG A 11 -5.206 -5.242 7.107 1.00 0.00 N ATOM 0 H ARG A 11 -2.837 1.056 7.225 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.949 1.304 4.535 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.614 -0.288 4.742 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.194 -1.115 5.350 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.910 -0.796 7.649 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.235 0.234 7.145 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.472 -1.666 7.188 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.738 -1.997 5.632 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.599 -3.043 8.204 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.520 -3.406 4.813 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.977 -5.085 4.726 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.922 -5.207 8.086 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.077 -6.099 6.569 1.00 0.00 H new ATOM 192 N SER A 12 -5.564 2.948 5.445 1.00 0.00 N ATOM 193 CA SER A 12 -6.383 4.033 5.955 1.00 0.00 C ATOM 194 C SER A 12 -7.741 4.017 5.295 1.00 0.00 C ATOM 195 O SER A 12 -8.153 3.011 4.722 1.00 0.00 O ATOM 196 CB SER A 12 -5.721 5.379 5.671 1.00 0.00 C ATOM 197 OG SER A 12 -5.706 5.650 4.281 1.00 0.00 O ATOM 0 H SER A 12 -5.508 2.906 4.427 1.00 0.00 H new ATOM 0 HA SER A 12 -6.492 3.896 7.031 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.257 6.171 6.194 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.701 5.376 6.056 1.00 0.00 H new ATOM 0 HG SER A 12 -4.844 6.046 4.034 1.00 0.00 H new ATOM 203 N GLN A 13 -8.434 5.138 5.383 1.00 0.00 N ATOM 204 CA GLN A 13 -9.733 5.261 4.745 1.00 0.00 C ATOM 205 C GLN A 13 -9.712 6.369 3.703 1.00 0.00 C ATOM 206 O GLN A 13 -8.769 6.486 2.922 1.00 0.00 O ATOM 207 CB GLN A 13 -10.843 5.516 5.757 1.00 0.00 C ATOM 208 CG GLN A 13 -10.879 4.523 6.893 1.00 0.00 C ATOM 209 CD GLN A 13 -12.276 4.025 7.197 1.00 0.00 C ATOM 210 OE1 GLN A 13 -13.263 4.899 7.041 1.00 0.00 O flip ATOM 211 NE2 GLN A 13 -12.466 2.872 7.582 1.00 0.00 N flip ATOM 0 H GLN A 13 -8.123 5.970 5.885 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.943 4.311 4.255 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -10.722 6.518 6.168 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.803 5.497 5.241 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.242 3.674 6.647 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.461 4.986 7.787 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.678 2.233 7.688 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -13.412 2.555 7.795 1.00 0.00 H new ATOM 220 N VAL A 14 -10.759 7.174 3.703 1.00 0.00 N ATOM 221 CA VAL A 14 -10.892 8.269 2.754 1.00 0.00 C ATOM 222 C VAL A 14 -12.085 9.146 3.128 1.00 0.00 C ATOM 223 O VAL A 14 -12.614 9.035 4.229 1.00 0.00 O ATOM 224 CB VAL A 14 -11.080 7.708 1.331 1.00 0.00 C ATOM 225 CG1 VAL A 14 -12.514 7.248 1.144 1.00 0.00 C ATOM 226 CG2 VAL A 14 -10.678 8.724 0.269 1.00 0.00 C ATOM 0 H VAL A 14 -11.538 7.090 4.356 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.986 8.874 2.783 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.420 6.849 1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.641 6.852 0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.744 6.469 1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.189 8.092 1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.824 8.293 -0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -11.293 9.618 0.370 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.629 8.989 0.398 1.00 0.00 H new ATOM 236 N HIS A 15 -12.495 10.023 2.217 1.00 0.00 N ATOM 237 CA HIS A 15 -13.630 10.902 2.446 1.00 0.00 C ATOM 238 C HIS A 15 -14.923 10.286 1.908 1.00 0.00 C ATOM 239 O HIS A 15 -15.247 10.456 0.732 1.00 0.00 O ATOM 240 CB HIS A 15 -13.407 12.243 1.752 1.00 0.00 C ATOM 241 CG HIS A 15 -12.301 12.238 0.744 1.00 0.00 C ATOM 242 ND1 HIS A 15 -12.506 12.017 -0.600 1.00 0.00 N ATOM 243 CD2 HIS A 15 -10.973 12.445 0.890 1.00 0.00 C ATOM 244 CE1 HIS A 15 -11.351 12.088 -1.237 1.00 0.00 C ATOM 245 NE2 HIS A 15 -10.406 12.349 -0.356 1.00 0.00 N ATOM 0 H HIS A 15 -12.052 10.142 1.306 1.00 0.00 H new ATOM 0 HA HIS A 15 -13.721 11.046 3.523 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -14.332 12.541 1.258 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -13.191 12.998 2.507 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -13.409 11.828 -1.035 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -10.455 12.648 1.815 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -11.206 11.955 -2.299 1.00 0.00 H new ATOM 254 N PRO A 16 -15.684 9.562 2.749 1.00 0.00 N ATOM 255 CA PRO A 16 -16.947 8.946 2.325 1.00 0.00 C ATOM 256 C PRO A 16 -17.987 9.979 1.919 1.00 0.00 C ATOM 257 O PRO A 16 -19.029 9.644 1.355 1.00 0.00 O ATOM 258 CB PRO A 16 -17.410 8.186 3.564 1.00 0.00 C ATOM 259 CG PRO A 16 -16.719 8.852 4.701 1.00 0.00 C ATOM 260 CD PRO A 16 -15.383 9.266 4.162 1.00 0.00 C ATOM 0 HA PRO A 16 -16.814 8.314 1.447 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -18.493 8.235 3.676 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -17.144 7.131 3.503 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -17.285 9.714 5.055 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -16.609 8.173 5.547 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -14.988 10.138 4.684 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -14.642 8.473 4.261 1.00 0.00 H new ATOM 268 N ASP A 17 -17.691 11.235 2.211 1.00 0.00 N ATOM 269 CA ASP A 17 -18.597 12.334 1.887 1.00 0.00 C ATOM 270 C ASP A 17 -18.055 13.195 0.747 1.00 0.00 C ATOM 271 O ASP A 17 -18.806 13.616 -0.133 1.00 0.00 O ATOM 272 CB ASP A 17 -18.838 13.202 3.123 1.00 0.00 C ATOM 273 CG ASP A 17 -19.836 14.313 2.861 1.00 0.00 C ATOM 274 OD1 ASP A 17 -21.052 14.063 3.002 1.00 0.00 O ATOM 275 OD2 ASP A 17 -19.403 15.431 2.513 1.00 0.00 O ATOM 0 H ASP A 17 -16.829 11.523 2.673 1.00 0.00 H new ATOM 0 HA ASP A 17 -19.540 11.897 1.559 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -19.200 12.576 3.939 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -17.893 13.635 3.450 1.00 0.00 H new ATOM 280 N ARG A 18 -16.751 13.456 0.765 1.00 0.00 N ATOM 281 CA ARG A 18 -16.121 14.279 -0.267 1.00 0.00 C ATOM 282 C ARG A 18 -15.991 13.495 -1.580 1.00 0.00 C ATOM 283 O ARG A 18 -16.193 12.281 -1.597 1.00 0.00 O ATOM 284 CB ARG A 18 -14.752 14.769 0.216 1.00 0.00 C ATOM 285 CG ARG A 18 -14.761 15.291 1.640 1.00 0.00 C ATOM 286 CD ARG A 18 -13.373 15.731 2.077 1.00 0.00 C ATOM 287 NE ARG A 18 -13.410 16.529 3.300 1.00 0.00 N ATOM 288 CZ ARG A 18 -12.744 17.669 3.456 1.00 0.00 C ATOM 289 NH1 ARG A 18 -11.993 18.144 2.470 1.00 0.00 N ATOM 290 NH2 ARG A 18 -12.829 18.337 4.599 1.00 0.00 N ATOM 0 H ARG A 18 -16.110 13.111 1.480 1.00 0.00 H new ATOM 0 HA ARG A 18 -16.752 15.147 -0.457 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.036 13.950 0.143 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.403 15.559 -0.449 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.452 16.131 1.717 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -15.127 14.514 2.312 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -12.748 14.852 2.237 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -12.909 16.312 1.280 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.978 16.193 4.077 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.926 17.634 1.589 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.483 19.019 2.593 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.406 17.976 5.359 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.318 19.212 4.718 1.00 0.00 H new ATOM 304 N PRO A 19 -15.652 14.173 -2.700 1.00 0.00 N ATOM 305 CA PRO A 19 -15.527 13.512 -4.005 1.00 0.00 C ATOM 306 C PRO A 19 -14.382 12.500 -4.057 1.00 0.00 C ATOM 307 O PRO A 19 -13.597 12.396 -3.117 1.00 0.00 O ATOM 308 CB PRO A 19 -15.279 14.663 -4.985 1.00 0.00 C ATOM 309 CG PRO A 19 -14.811 15.812 -4.160 1.00 0.00 C ATOM 310 CD PRO A 19 -15.363 15.617 -2.775 1.00 0.00 C ATOM 0 HA PRO A 19 -16.418 12.929 -4.237 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -14.532 14.387 -5.729 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -16.190 14.917 -5.527 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.722 15.852 -4.138 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -15.156 16.755 -4.583 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -14.644 15.919 -2.014 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -16.263 16.212 -2.618 1.00 0.00 H new ATOM 318 N PRO A 20 -14.277 11.736 -5.165 1.00 0.00 N ATOM 319 CA PRO A 20 -13.232 10.717 -5.335 1.00 0.00 C ATOM 320 C PRO A 20 -11.820 11.286 -5.217 1.00 0.00 C ATOM 321 O PRO A 20 -11.623 12.502 -5.221 1.00 0.00 O ATOM 322 CB PRO A 20 -13.471 10.185 -6.750 1.00 0.00 C ATOM 323 CG PRO A 20 -14.891 10.513 -7.051 1.00 0.00 C ATOM 324 CD PRO A 20 -15.167 11.804 -6.339 1.00 0.00 C ATOM 0 HA PRO A 20 -13.293 9.954 -4.559 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.797 10.654 -7.467 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.295 9.111 -6.803 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -15.050 10.616 -8.124 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -15.558 9.724 -6.704 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.941 12.666 -6.966 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -16.214 11.887 -6.047 1.00 0.00 H new ATOM 332 N VAL A 21 -10.842 10.389 -5.112 1.00 0.00 N ATOM 333 CA VAL A 21 -9.444 10.778 -4.994 1.00 0.00 C ATOM 334 C VAL A 21 -8.771 10.859 -6.353 1.00 0.00 C ATOM 335 O VAL A 21 -9.159 10.165 -7.294 1.00 0.00 O ATOM 336 CB VAL A 21 -8.652 9.774 -4.143 1.00 0.00 C ATOM 337 CG1 VAL A 21 -7.209 10.204 -4.029 1.00 0.00 C ATOM 338 CG2 VAL A 21 -9.255 9.612 -2.767 1.00 0.00 C ATOM 0 H VAL A 21 -10.997 9.381 -5.107 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.442 11.758 -4.517 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.700 8.808 -4.645 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.661 9.482 -3.423 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.765 10.255 -5.023 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.158 11.186 -3.558 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.668 8.894 -2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.254 10.574 -2.254 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.279 9.251 -2.859 1.00 0.00 H new ATOM 348 N ASP A 22 -7.759 11.712 -6.448 1.00 0.00 N ATOM 349 CA ASP A 22 -7.001 11.853 -7.675 1.00 0.00 C ATOM 350 C ASP A 22 -5.891 10.820 -7.695 1.00 0.00 C ATOM 351 O ASP A 22 -4.721 11.155 -7.744 1.00 0.00 O ATOM 352 CB ASP A 22 -6.424 13.265 -7.800 1.00 0.00 C ATOM 353 CG ASP A 22 -5.848 13.772 -6.493 1.00 0.00 C ATOM 354 OD1 ASP A 22 -4.669 13.477 -6.208 1.00 0.00 O ATOM 355 OD2 ASP A 22 -6.578 14.466 -5.753 1.00 0.00 O ATOM 0 H ASP A 22 -7.447 12.315 -5.687 1.00 0.00 H new ATOM 0 HA ASP A 22 -7.663 11.690 -8.525 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.646 13.270 -8.563 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.206 13.945 -8.137 1.00 0.00 H new ATOM 360 N LEU A 23 -6.299 9.559 -7.652 1.00 0.00 N ATOM 361 CA LEU A 23 -5.400 8.411 -7.648 1.00 0.00 C ATOM 362 C LEU A 23 -4.365 8.437 -8.766 1.00 0.00 C ATOM 363 O LEU A 23 -3.606 7.493 -8.927 1.00 0.00 O ATOM 364 CB LEU A 23 -6.242 7.158 -7.753 1.00 0.00 C ATOM 365 CG LEU A 23 -7.439 7.143 -6.809 1.00 0.00 C ATOM 366 CD1 LEU A 23 -8.377 5.999 -7.147 1.00 0.00 C ATOM 367 CD2 LEU A 23 -6.969 7.024 -5.371 1.00 0.00 C ATOM 0 H LEU A 23 -7.285 9.299 -7.618 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.831 8.438 -6.719 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.598 7.055 -8.778 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.615 6.291 -7.544 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.982 8.080 -6.929 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.224 6.008 -6.461 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.737 6.114 -8.169 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.845 5.052 -7.054 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -7.832 7.014 -4.706 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.405 6.099 -5.248 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.331 7.873 -5.125 1.00 0.00 H new ATOM 379 N ASP A 24 -4.375 9.478 -9.570 1.00 0.00 N ATOM 380 CA ASP A 24 -3.396 9.630 -10.630 1.00 0.00 C ATOM 381 C ASP A 24 -2.366 10.639 -10.180 1.00 0.00 C ATOM 382 O ASP A 24 -1.161 10.472 -10.357 1.00 0.00 O ATOM 383 CB ASP A 24 -4.074 10.106 -11.901 1.00 0.00 C ATOM 384 CG ASP A 24 -3.312 9.714 -13.151 1.00 0.00 C ATOM 385 OD1 ASP A 24 -3.488 8.570 -13.620 1.00 0.00 O ATOM 386 OD2 ASP A 24 -2.541 10.552 -13.664 1.00 0.00 O ATOM 0 H ASP A 24 -5.054 10.237 -9.511 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.916 8.674 -10.838 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.081 9.691 -11.949 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.178 11.191 -11.869 1.00 0.00 H new ATOM 391 N ALA A 25 -2.894 11.692 -9.590 1.00 0.00 N ATOM 392 CA ALA A 25 -2.101 12.787 -9.060 1.00 0.00 C ATOM 393 C ALA A 25 -1.616 12.477 -7.643 1.00 0.00 C ATOM 394 O ALA A 25 -0.577 12.972 -7.198 1.00 0.00 O ATOM 395 CB ALA A 25 -2.938 14.058 -9.062 1.00 0.00 C ATOM 0 H ALA A 25 -3.899 11.815 -9.463 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.223 12.924 -9.691 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.347 14.883 -8.665 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.245 14.290 -10.082 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.822 13.913 -8.441 1.00 0.00 H new ATOM 401 N LEU A 26 -2.373 11.628 -6.959 1.00 0.00 N ATOM 402 CA LEU A 26 -2.089 11.237 -5.587 1.00 0.00 C ATOM 403 C LEU A 26 -0.827 10.391 -5.521 1.00 0.00 C ATOM 404 O LEU A 26 0.005 10.554 -4.628 1.00 0.00 O ATOM 405 CB LEU A 26 -3.312 10.480 -5.031 1.00 0.00 C ATOM 406 CG LEU A 26 -3.045 9.361 -4.016 1.00 0.00 C ATOM 407 CD1 LEU A 26 -4.304 9.076 -3.217 1.00 0.00 C ATOM 408 CD2 LEU A 26 -2.590 8.089 -4.712 1.00 0.00 C ATOM 0 H LEU A 26 -3.208 11.189 -7.346 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.909 12.121 -4.975 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.975 11.208 -4.564 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.854 10.049 -5.873 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.251 9.694 -3.347 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.107 8.280 -2.498 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.610 9.977 -2.686 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -5.101 8.765 -3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.408 7.313 -3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.364 7.755 -5.403 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.671 8.285 -5.264 1.00 0.00 H new ATOM 420 N VAL A 27 -0.698 9.489 -6.481 1.00 0.00 N ATOM 421 CA VAL A 27 0.451 8.602 -6.558 1.00 0.00 C ATOM 422 C VAL A 27 1.610 9.267 -7.299 1.00 0.00 C ATOM 423 O VAL A 27 2.773 8.936 -7.076 1.00 0.00 O ATOM 424 CB VAL A 27 0.065 7.273 -7.247 1.00 0.00 C ATOM 425 CG1 VAL A 27 -0.963 7.524 -8.334 1.00 0.00 C ATOM 426 CG2 VAL A 27 1.281 6.555 -7.815 1.00 0.00 C ATOM 0 H VAL A 27 -1.383 9.352 -7.225 1.00 0.00 H new ATOM 0 HA VAL A 27 0.777 8.387 -5.541 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.371 6.622 -6.489 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.226 6.580 -8.811 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.856 7.970 -7.895 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.547 8.203 -9.078 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.966 5.626 -8.290 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.769 7.193 -8.552 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.981 6.331 -7.010 1.00 0.00 H new ATOM 436 N HIS A 28 1.284 10.214 -8.172 1.00 0.00 N ATOM 437 CA HIS A 28 2.297 10.924 -8.948 1.00 0.00 C ATOM 438 C HIS A 28 3.267 11.669 -8.039 1.00 0.00 C ATOM 439 O HIS A 28 4.481 11.458 -8.105 1.00 0.00 O ATOM 440 CB HIS A 28 1.631 11.909 -9.908 1.00 0.00 C ATOM 441 CG HIS A 28 2.557 12.469 -10.947 1.00 0.00 C ATOM 442 ND1 HIS A 28 2.180 13.456 -11.835 1.00 0.00 N ATOM 443 CD2 HIS A 28 3.848 12.176 -11.240 1.00 0.00 C ATOM 444 CE1 HIS A 28 3.198 13.744 -12.628 1.00 0.00 C ATOM 445 NE2 HIS A 28 4.220 12.982 -12.287 1.00 0.00 N ATOM 0 H HIS A 28 0.326 10.509 -8.361 1.00 0.00 H new ATOM 0 HA HIS A 28 2.860 10.185 -9.518 1.00 0.00 H new ATOM 0 HB2 HIS A 28 0.801 11.409 -10.407 1.00 0.00 H new ATOM 0 HB3 HIS A 28 1.207 12.732 -9.332 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.468 11.445 -10.742 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.194 14.478 -13.420 1.00 0.00 H new ATOM 0 HE2 HIS A 28 5.139 12.991 -12.730 1.00 0.00 H new ATOM 454 N ARG A 29 2.729 12.537 -7.190 1.00 0.00 N ATOM 455 CA ARG A 29 3.555 13.322 -6.278 1.00 0.00 C ATOM 456 C ARG A 29 4.383 12.433 -5.350 1.00 0.00 C ATOM 457 O ARG A 29 5.441 12.844 -4.874 1.00 0.00 O ATOM 458 CB ARG A 29 2.692 14.275 -5.448 1.00 0.00 C ATOM 459 CG ARG A 29 2.350 15.575 -6.161 1.00 0.00 C ATOM 460 CD ARG A 29 1.427 15.346 -7.347 1.00 0.00 C ATOM 461 NE ARG A 29 1.025 16.603 -7.974 1.00 0.00 N ATOM 462 CZ ARG A 29 -0.223 17.063 -7.970 1.00 0.00 C ATOM 463 NH1 ARG A 29 -1.186 16.377 -7.366 1.00 0.00 N ATOM 464 NH2 ARG A 29 -0.508 18.214 -8.565 1.00 0.00 N ATOM 0 H ARG A 29 1.728 12.715 -7.113 1.00 0.00 H new ATOM 0 HA ARG A 29 4.243 13.903 -6.892 1.00 0.00 H new ATOM 0 HB2 ARG A 29 1.767 13.767 -5.175 1.00 0.00 H new ATOM 0 HB3 ARG A 29 3.214 14.507 -4.520 1.00 0.00 H new ATOM 0 HG2 ARG A 29 1.875 16.260 -5.459 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.268 16.054 -6.502 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.930 14.718 -8.082 1.00 0.00 H new ATOM 0 HD3 ARG A 29 0.540 14.804 -7.018 1.00 0.00 H new ATOM 0 HE ARG A 29 1.742 17.159 -8.441 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.970 15.494 -6.903 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -2.142 16.733 -7.365 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.230 18.746 -9.026 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.465 18.566 -8.562 1.00 0.00 H new ATOM 478 N ALA A 30 3.902 11.220 -5.092 1.00 0.00 N ATOM 479 CA ALA A 30 4.613 10.297 -4.214 1.00 0.00 C ATOM 480 C ALA A 30 5.774 9.620 -4.931 1.00 0.00 C ATOM 481 O ALA A 30 6.902 9.621 -4.442 1.00 0.00 O ATOM 482 CB ALA A 30 3.660 9.248 -3.671 1.00 0.00 C ATOM 0 H ALA A 30 3.030 10.856 -5.475 1.00 0.00 H new ATOM 0 HA ALA A 30 5.021 10.879 -3.387 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.204 8.566 -3.017 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.866 9.736 -3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.225 8.688 -4.499 1.00 0.00 H new ATOM 488 N SER A 31 5.480 9.036 -6.086 1.00 0.00 N ATOM 489 CA SER A 31 6.483 8.338 -6.884 1.00 0.00 C ATOM 490 C SER A 31 7.732 9.186 -7.091 1.00 0.00 C ATOM 491 O SER A 31 8.851 8.689 -6.986 1.00 0.00 O ATOM 492 CB SER A 31 5.892 7.949 -8.239 1.00 0.00 C ATOM 493 OG SER A 31 6.831 7.228 -9.018 1.00 0.00 O ATOM 0 H SER A 31 4.546 9.032 -6.495 1.00 0.00 H new ATOM 0 HA SER A 31 6.775 7.441 -6.338 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.998 7.343 -8.089 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.583 8.846 -8.775 1.00 0.00 H new ATOM 0 HG SER A 31 6.428 6.990 -9.879 1.00 0.00 H new ATOM 499 N SER A 32 7.537 10.467 -7.381 1.00 0.00 N ATOM 500 CA SER A 32 8.634 11.375 -7.618 1.00 0.00 C ATOM 501 C SER A 32 9.504 11.563 -6.376 1.00 0.00 C ATOM 502 O SER A 32 10.694 11.850 -6.488 1.00 0.00 O ATOM 503 CB SER A 32 8.059 12.708 -8.068 1.00 0.00 C ATOM 504 OG SER A 32 6.792 12.945 -7.479 1.00 0.00 O ATOM 0 H SER A 32 6.615 10.897 -7.456 1.00 0.00 H new ATOM 0 HA SER A 32 9.279 10.954 -8.390 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.744 13.512 -7.799 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.966 12.719 -9.154 1.00 0.00 H new ATOM 0 HG SER A 32 6.850 12.805 -6.511 1.00 0.00 H new ATOM 510 N LYS A 33 8.903 11.426 -5.199 1.00 0.00 N ATOM 511 CA LYS A 33 9.630 11.590 -3.942 1.00 0.00 C ATOM 512 C LYS A 33 10.316 10.299 -3.493 1.00 0.00 C ATOM 513 O LYS A 33 11.480 10.310 -3.097 1.00 0.00 O ATOM 514 CB LYS A 33 8.683 12.095 -2.852 1.00 0.00 C ATOM 515 CG LYS A 33 9.339 12.255 -1.490 1.00 0.00 C ATOM 516 CD LYS A 33 8.969 11.116 -0.563 1.00 0.00 C ATOM 517 CE LYS A 33 8.517 11.637 0.791 1.00 0.00 C ATOM 518 NZ LYS A 33 9.534 11.397 1.851 1.00 0.00 N ATOM 0 H LYS A 33 7.914 11.202 -5.087 1.00 0.00 H new ATOM 0 HA LYS A 33 10.415 12.326 -4.114 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.270 13.055 -3.160 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.846 11.402 -2.762 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.422 12.293 -1.608 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.033 13.202 -1.046 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.173 10.522 -1.012 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.826 10.455 -0.434 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.315 12.706 0.719 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.581 11.154 1.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.107 11.562 2.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.871 10.415 1.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.335 12.047 1.717 1.00 0.00 H new ATOM 532 N ASN A 34 9.591 9.190 -3.562 1.00 0.00 N ATOM 533 CA ASN A 34 10.115 7.890 -3.137 1.00 0.00 C ATOM 534 C ASN A 34 11.229 7.397 -4.055 1.00 0.00 C ATOM 535 O ASN A 34 12.201 6.805 -3.594 1.00 0.00 O ATOM 536 CB ASN A 34 8.997 6.843 -3.111 1.00 0.00 C ATOM 537 CG ASN A 34 7.895 7.163 -2.119 1.00 0.00 C ATOM 538 OD1 ASN A 34 8.045 8.035 -1.264 1.00 0.00 O ATOM 539 ND2 ASN A 34 6.783 6.437 -2.220 1.00 0.00 N ATOM 0 H ASN A 34 8.633 9.161 -3.910 1.00 0.00 H new ATOM 0 HA ASN A 34 10.524 8.026 -2.136 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.565 6.759 -4.108 1.00 0.00 H new ATOM 0 HB3 ASN A 34 9.425 5.871 -2.866 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.011 6.594 -1.572 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.703 5.724 -2.945 1.00 0.00 H new ATOM 546 N LEU A 35 11.077 7.637 -5.351 1.00 0.00 N ATOM 547 CA LEU A 35 12.063 7.194 -6.330 1.00 0.00 C ATOM 548 C LEU A 35 13.485 7.588 -5.926 1.00 0.00 C ATOM 549 O LEU A 35 14.344 6.723 -5.743 1.00 0.00 O ATOM 550 CB LEU A 35 11.744 7.772 -7.705 1.00 0.00 C ATOM 551 CG LEU A 35 11.674 6.750 -8.836 1.00 0.00 C ATOM 552 CD1 LEU A 35 10.254 6.231 -8.989 1.00 0.00 C ATOM 553 CD2 LEU A 35 12.173 7.362 -10.134 1.00 0.00 C ATOM 0 H LEU A 35 10.281 8.136 -5.749 1.00 0.00 H new ATOM 0 HA LEU A 35 12.012 6.106 -6.369 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.790 8.295 -7.649 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.501 8.515 -7.954 1.00 0.00 H new ATOM 0 HG LEU A 35 12.320 5.907 -8.589 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.218 5.503 -9.799 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.938 5.756 -8.060 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.586 7.061 -9.218 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.117 6.621 -10.931 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.554 8.221 -10.393 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.207 7.684 -10.010 1.00 0.00 H new ATOM 565 N PRO A 36 13.757 8.898 -5.779 1.00 0.00 N ATOM 566 CA PRO A 36 15.083 9.388 -5.406 1.00 0.00 C ATOM 567 C PRO A 36 15.454 9.004 -3.982 1.00 0.00 C ATOM 568 O PRO A 36 16.630 8.883 -3.640 1.00 0.00 O ATOM 569 CB PRO A 36 14.956 10.902 -5.531 1.00 0.00 C ATOM 570 CG PRO A 36 13.504 11.174 -5.344 1.00 0.00 C ATOM 571 CD PRO A 36 12.798 9.999 -5.950 1.00 0.00 C ATOM 0 HA PRO A 36 15.866 8.963 -6.034 1.00 0.00 H new ATOM 0 HB2 PRO A 36 15.555 11.414 -4.778 1.00 0.00 H new ATOM 0 HB3 PRO A 36 15.302 11.250 -6.504 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.257 11.279 -4.288 1.00 0.00 H new ATOM 0 HG3 PRO A 36 13.212 12.103 -5.834 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.855 9.792 -5.444 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.565 10.169 -7.001 1.00 0.00 H new ATOM 579 N LEU A 37 14.430 8.815 -3.161 1.00 0.00 N ATOM 580 CA LEU A 37 14.610 8.446 -1.765 1.00 0.00 C ATOM 581 C LEU A 37 15.036 6.993 -1.632 1.00 0.00 C ATOM 582 O LEU A 37 15.607 6.586 -0.620 1.00 0.00 O ATOM 583 CB LEU A 37 13.308 8.695 -1.010 1.00 0.00 C ATOM 584 CG LEU A 37 13.292 9.977 -0.192 1.00 0.00 C ATOM 585 CD1 LEU A 37 13.473 11.179 -1.106 1.00 0.00 C ATOM 586 CD2 LEU A 37 12.001 10.085 0.597 1.00 0.00 C ATOM 0 H LEU A 37 13.455 8.913 -3.443 1.00 0.00 H new ATOM 0 HA LEU A 37 15.403 9.059 -1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 37 12.487 8.725 -1.726 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.121 7.852 -0.345 1.00 0.00 H new ATOM 0 HG LEU A 37 14.119 9.956 0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.460 12.093 -0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 37 14.426 11.099 -1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.662 11.208 -1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.005 11.008 1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.154 10.092 -0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.914 9.233 1.271 1.00 0.00 H new ATOM 598 N GLY A 38 14.748 6.222 -2.665 1.00 0.00 N ATOM 599 CA GLY A 38 15.099 4.814 -2.671 1.00 0.00 C ATOM 600 C GLY A 38 13.943 3.950 -2.220 1.00 0.00 C ATOM 601 O GLY A 38 14.079 2.734 -2.075 1.00 0.00 O ATOM 0 H GLY A 38 14.274 6.546 -3.508 1.00 0.00 H new ATOM 0 HA2 GLY A 38 15.404 4.519 -3.675 1.00 0.00 H new ATOM 0 HA3 GLY A 38 15.954 4.649 -2.016 1.00 0.00 H new ATOM 605 N ILE A 39 12.803 4.591 -2.000 1.00 0.00 N ATOM 606 CA ILE A 39 11.599 3.902 -1.561 1.00 0.00 C ATOM 607 C ILE A 39 10.795 3.391 -2.749 1.00 0.00 C ATOM 608 O ILE A 39 10.799 3.992 -3.823 1.00 0.00 O ATOM 609 CB ILE A 39 10.708 4.835 -0.724 1.00 0.00 C ATOM 610 CG1 ILE A 39 11.508 5.444 0.425 1.00 0.00 C ATOM 611 CG2 ILE A 39 9.489 4.088 -0.201 1.00 0.00 C ATOM 612 CD1 ILE A 39 10.925 6.744 0.928 1.00 0.00 C ATOM 0 H ILE A 39 12.688 5.597 -2.120 1.00 0.00 H new ATOM 0 HA ILE A 39 11.917 3.057 -0.951 1.00 0.00 H new ATOM 0 HB ILE A 39 10.357 5.645 -1.364 1.00 0.00 H new ATOM 0 HG12 ILE A 39 11.553 4.730 1.248 1.00 0.00 H new ATOM 0 HG13 ILE A 39 12.533 5.615 0.096 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.872 4.766 0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.908 3.706 -1.041 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.813 3.256 0.424 1.00 0.00 H new ATOM 0 HD11 ILE A 39 11.538 7.126 1.744 1.00 0.00 H new ATOM 0 HD12 ILE A 39 10.905 7.472 0.117 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.910 6.573 1.287 1.00 0.00 H new ATOM 624 N THR A 40 10.107 2.276 -2.545 1.00 0.00 N ATOM 625 CA THR A 40 9.286 1.676 -3.582 1.00 0.00 C ATOM 626 C THR A 40 8.047 1.049 -2.975 1.00 0.00 C ATOM 627 O THR A 40 8.052 0.667 -1.807 1.00 0.00 O ATOM 628 CB THR A 40 10.057 0.597 -4.356 1.00 0.00 C ATOM 629 OG1 THR A 40 11.196 0.175 -3.600 1.00 0.00 O ATOM 630 CG2 THR A 40 10.499 1.110 -5.716 1.00 0.00 C ATOM 0 H THR A 40 10.103 1.766 -1.661 1.00 0.00 H new ATOM 0 HA THR A 40 9.004 2.471 -4.272 1.00 0.00 H new ATOM 0 HB THR A 40 9.391 -0.252 -4.512 1.00 0.00 H new ATOM 0 HG1 THR A 40 11.310 -0.794 -3.694 1.00 0.00 H new ATOM 0 HG21 THR A 40 11.043 0.325 -6.242 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.624 1.398 -6.298 1.00 0.00 H new ATOM 0 HG23 THR A 40 11.148 1.976 -5.585 1.00 0.00 H new ATOM 638 N GLY A 41 6.983 0.941 -3.756 1.00 0.00 N ATOM 639 CA GLY A 41 5.775 0.352 -3.229 1.00 0.00 C ATOM 640 C GLY A 41 4.580 0.483 -4.140 1.00 0.00 C ATOM 641 O GLY A 41 4.712 0.717 -5.341 1.00 0.00 O ATOM 0 H GLY A 41 6.935 1.245 -4.728 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.954 -0.705 -3.032 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.542 0.820 -2.272 1.00 0.00 H new ATOM 645 N ILE A 42 3.406 0.325 -3.545 1.00 0.00 N ATOM 646 CA ILE A 42 2.149 0.397 -4.273 1.00 0.00 C ATOM 647 C ILE A 42 1.024 0.858 -3.356 1.00 0.00 C ATOM 648 O ILE A 42 1.091 0.694 -2.140 1.00 0.00 O ATOM 649 CB ILE A 42 1.787 -0.974 -4.884 1.00 0.00 C ATOM 650 CG1 ILE A 42 0.314 -1.034 -5.291 1.00 0.00 C ATOM 651 CG2 ILE A 42 2.084 -2.068 -3.884 1.00 0.00 C ATOM 652 CD1 ILE A 42 0.032 -2.010 -6.408 1.00 0.00 C ATOM 0 H ILE A 42 3.299 0.144 -2.547 1.00 0.00 H new ATOM 0 HA ILE A 42 2.273 1.120 -5.079 1.00 0.00 H new ATOM 0 HB ILE A 42 2.390 -1.116 -5.781 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.283 -1.308 -4.421 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.009 -0.040 -5.599 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.828 -3.035 -4.316 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.144 -2.052 -3.632 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.494 -1.906 -2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.033 -1.998 -6.642 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.601 -1.725 -7.293 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.323 -3.013 -6.097 1.00 0.00 H new ATOM 664 N LEU A 43 -0.006 1.438 -3.951 1.00 0.00 N ATOM 665 CA LEU A 43 -1.155 1.909 -3.204 1.00 0.00 C ATOM 666 C LEU A 43 -2.414 1.191 -3.653 1.00 0.00 C ATOM 667 O LEU A 43 -2.433 0.542 -4.697 1.00 0.00 O ATOM 668 CB LEU A 43 -1.333 3.408 -3.389 1.00 0.00 C ATOM 669 CG LEU A 43 -0.904 4.264 -2.209 1.00 0.00 C ATOM 670 CD1 LEU A 43 -1.145 5.722 -2.523 1.00 0.00 C ATOM 671 CD2 LEU A 43 -1.650 3.852 -0.949 1.00 0.00 C ATOM 0 H LEU A 43 -0.067 1.593 -4.957 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.981 1.697 -2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.767 3.719 -4.267 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.383 3.609 -3.600 1.00 0.00 H new ATOM 0 HG LEU A 43 0.161 4.114 -2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.836 6.333 -1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.568 6.005 -3.403 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.205 5.882 -2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.329 4.477 -0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.722 3.976 -1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.435 2.807 -0.724 1.00 0.00 H new ATOM 683 N LEU A 44 -3.460 1.303 -2.850 1.00 0.00 N ATOM 684 CA LEU A 44 -4.727 0.669 -3.162 1.00 0.00 C ATOM 685 C LEU A 44 -5.894 1.549 -2.762 1.00 0.00 C ATOM 686 O LEU A 44 -5.793 2.357 -1.844 1.00 0.00 O ATOM 687 CB LEU A 44 -4.837 -0.683 -2.465 1.00 0.00 C ATOM 688 CG LEU A 44 -4.184 -1.835 -3.212 1.00 0.00 C ATOM 689 CD1 LEU A 44 -2.718 -1.969 -2.841 1.00 0.00 C ATOM 690 CD2 LEU A 44 -4.925 -3.127 -2.943 1.00 0.00 C ATOM 0 H LEU A 44 -3.455 1.829 -1.976 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.763 0.518 -4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.384 -0.605 -1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.891 -0.915 -2.316 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.238 -1.620 -4.279 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.278 -2.801 -3.391 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.193 -1.048 -3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.629 -2.154 -1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.445 -3.942 -3.485 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.906 -3.342 -1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.959 -3.030 -3.275 1.00 0.00 H new ATOM 702 N PHE A 45 -6.996 1.391 -3.471 1.00 0.00 N ATOM 703 CA PHE A 45 -8.205 2.148 -3.192 1.00 0.00 C ATOM 704 C PHE A 45 -9.415 1.312 -3.571 1.00 0.00 C ATOM 705 O PHE A 45 -9.478 0.771 -4.669 1.00 0.00 O ATOM 706 CB PHE A 45 -8.196 3.473 -3.958 1.00 0.00 C ATOM 707 CG PHE A 45 -9.316 4.404 -3.579 1.00 0.00 C ATOM 708 CD1 PHE A 45 -9.392 4.932 -2.301 1.00 0.00 C ATOM 709 CD2 PHE A 45 -10.287 4.752 -4.503 1.00 0.00 C ATOM 710 CE1 PHE A 45 -10.416 5.791 -1.950 1.00 0.00 C ATOM 711 CE2 PHE A 45 -11.313 5.612 -4.159 1.00 0.00 C ATOM 712 CZ PHE A 45 -11.378 6.132 -2.880 1.00 0.00 C ATOM 0 H PHE A 45 -7.080 0.740 -4.251 1.00 0.00 H new ATOM 0 HA PHE A 45 -8.251 2.380 -2.128 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.244 3.975 -3.784 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.256 3.264 -5.026 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.642 4.669 -1.570 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -10.242 4.347 -5.503 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -10.464 6.195 -0.950 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -12.063 5.877 -4.889 1.00 0.00 H new ATOM 0 HZ PHE A 45 -12.179 6.803 -2.609 1.00 0.00 H new ATOM 722 N ASN A 46 -10.382 1.224 -2.674 1.00 0.00 N ATOM 723 CA ASN A 46 -11.568 0.425 -2.924 1.00 0.00 C ATOM 724 C ASN A 46 -12.808 1.295 -2.856 1.00 0.00 C ATOM 725 O ASN A 46 -13.936 0.799 -2.887 1.00 0.00 O ATOM 726 CB ASN A 46 -11.652 -0.711 -1.904 1.00 0.00 C ATOM 727 CG ASN A 46 -12.171 -0.238 -0.560 1.00 0.00 C ATOM 728 OD1 ASN A 46 -11.263 0.231 0.289 1.00 0.00 O flip ATOM 729 ND2 ASN A 46 -13.370 -0.287 -0.290 1.00 0.00 N flip ATOM 0 H ASN A 46 -10.369 1.694 -1.769 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.505 -0.006 -3.923 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.305 -1.494 -2.288 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.665 -1.154 -1.775 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -14.032 -0.655 -0.973 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -13.702 0.041 0.617 1.00 0.00 H new ATOM 736 N GLY A 47 -12.588 2.600 -2.763 1.00 0.00 N ATOM 737 CA GLY A 47 -13.689 3.530 -2.688 1.00 0.00 C ATOM 738 C GLY A 47 -13.935 4.025 -1.281 1.00 0.00 C ATOM 739 O GLY A 47 -14.837 4.831 -1.048 1.00 0.00 O ATOM 0 H GLY A 47 -11.663 3.028 -2.738 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.486 4.381 -3.339 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.592 3.049 -3.064 1.00 0.00 H new ATOM 743 N LEU A 48 -13.132 3.544 -0.339 1.00 0.00 N ATOM 744 CA LEU A 48 -13.278 3.941 1.052 1.00 0.00 C ATOM 745 C LEU A 48 -11.943 3.902 1.786 1.00 0.00 C ATOM 746 O LEU A 48 -11.694 4.723 2.665 1.00 0.00 O ATOM 747 CB LEU A 48 -14.285 3.023 1.752 1.00 0.00 C ATOM 748 CG LEU A 48 -14.985 3.607 2.991 1.00 0.00 C ATOM 749 CD1 LEU A 48 -14.011 3.736 4.153 1.00 0.00 C ATOM 750 CD2 LEU A 48 -15.613 4.957 2.670 1.00 0.00 C ATOM 0 H LEU A 48 -12.377 2.881 -0.514 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.643 4.968 1.073 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.049 2.737 1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -13.769 2.110 2.048 1.00 0.00 H new ATOM 0 HG LEU A 48 -15.778 2.920 3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -14.529 4.151 5.018 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.614 2.753 4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -13.192 4.397 3.869 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -16.103 5.352 3.560 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -14.838 5.651 2.345 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -16.349 4.836 1.875 1.00 0.00 H new ATOM 762 N GLN A 49 -11.079 2.960 1.419 1.00 0.00 N ATOM 763 CA GLN A 49 -9.789 2.821 2.095 1.00 0.00 C ATOM 764 C GLN A 49 -8.587 2.949 1.157 1.00 0.00 C ATOM 765 O GLN A 49 -8.725 2.961 -0.065 1.00 0.00 O ATOM 766 CB GLN A 49 -9.722 1.467 2.798 1.00 0.00 C ATOM 767 CG GLN A 49 -10.714 1.306 3.932 1.00 0.00 C ATOM 768 CD GLN A 49 -10.740 -0.111 4.465 1.00 0.00 C ATOM 769 OE1 GLN A 49 -10.619 -1.075 3.710 1.00 0.00 O ATOM 770 NE2 GLN A 49 -10.870 -0.242 5.776 1.00 0.00 N ATOM 0 H GLN A 49 -11.243 2.289 0.668 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.728 3.643 2.809 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.896 0.680 2.064 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.715 1.322 3.188 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.457 1.992 4.739 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -11.710 1.581 3.585 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.968 0.586 6.364 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.872 -1.171 6.198 1.00 0.00 H new ATOM 779 N PHE A 50 -7.404 3.042 1.773 1.00 0.00 N ATOM 780 CA PHE A 50 -6.132 3.145 1.053 1.00 0.00 C ATOM 781 C PHE A 50 -5.106 2.196 1.660 1.00 0.00 C ATOM 782 O PHE A 50 -4.674 2.386 2.795 1.00 0.00 O ATOM 783 CB PHE A 50 -5.566 4.562 1.126 1.00 0.00 C ATOM 784 CG PHE A 50 -6.061 5.501 0.065 1.00 0.00 C ATOM 785 CD1 PHE A 50 -5.681 5.347 -1.262 1.00 0.00 C ATOM 786 CD2 PHE A 50 -6.888 6.557 0.398 1.00 0.00 C ATOM 787 CE1 PHE A 50 -6.119 6.223 -2.224 1.00 0.00 C ATOM 788 CE2 PHE A 50 -7.328 7.439 -0.562 1.00 0.00 C ATOM 789 CZ PHE A 50 -6.941 7.269 -1.875 1.00 0.00 C ATOM 0 H PHE A 50 -7.302 3.048 2.788 1.00 0.00 H new ATOM 0 HA PHE A 50 -6.327 2.885 0.013 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.806 4.983 2.102 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -4.479 4.506 1.062 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -5.033 4.529 -1.540 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -7.193 6.692 1.425 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.819 6.091 -3.253 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.973 8.261 -0.289 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.284 7.959 -2.631 1.00 0.00 H new ATOM 799 N PHE A 51 -4.710 1.183 0.906 1.00 0.00 N ATOM 800 CA PHE A 51 -3.720 0.225 1.383 1.00 0.00 C ATOM 801 C PHE A 51 -2.393 0.487 0.694 1.00 0.00 C ATOM 802 O PHE A 51 -2.335 0.555 -0.529 1.00 0.00 O ATOM 803 CB PHE A 51 -4.189 -1.200 1.110 1.00 0.00 C ATOM 804 CG PHE A 51 -3.173 -2.254 1.439 1.00 0.00 C ATOM 805 CD1 PHE A 51 -2.267 -2.678 0.483 1.00 0.00 C ATOM 806 CD2 PHE A 51 -3.133 -2.827 2.696 1.00 0.00 C ATOM 807 CE1 PHE A 51 -1.339 -3.656 0.774 1.00 0.00 C ATOM 808 CE2 PHE A 51 -2.203 -3.805 2.994 1.00 0.00 C ATOM 809 CZ PHE A 51 -1.305 -4.221 2.031 1.00 0.00 C ATOM 0 H PHE A 51 -5.056 1.001 -0.036 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.594 0.342 2.459 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.094 -1.390 1.688 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.459 -1.287 0.057 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.287 -2.238 -0.503 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.835 -2.508 3.452 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.639 -3.979 0.017 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.179 -4.244 3.980 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.579 -4.986 2.262 1.00 0.00 H new ATOM 819 N GLN A 52 -1.319 0.622 1.461 1.00 0.00 N ATOM 820 CA GLN A 52 -0.034 0.911 0.852 1.00 0.00 C ATOM 821 C GLN A 52 1.070 -0.020 1.301 1.00 0.00 C ATOM 822 O GLN A 52 1.268 -0.262 2.492 1.00 0.00 O ATOM 823 CB GLN A 52 0.395 2.346 1.127 1.00 0.00 C ATOM 824 CG GLN A 52 1.355 2.874 0.077 1.00 0.00 C ATOM 825 CD GLN A 52 1.690 4.337 0.257 1.00 0.00 C ATOM 826 OE1 GLN A 52 1.917 4.805 1.367 1.00 0.00 O ATOM 827 NE2 GLN A 52 1.709 5.071 -0.845 1.00 0.00 N ATOM 0 H GLN A 52 -1.312 0.538 2.478 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.184 0.759 -0.217 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.487 2.985 1.163 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.868 2.399 2.108 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.275 2.291 0.110 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.919 2.727 -0.911 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.514 4.640 -1.748 1.00 0.00 H new ATOM 0 HE22 GLN A 52 1.919 6.068 -0.790 1.00 0.00 H new ATOM 836 N VAL A 53 1.783 -0.531 0.316 1.00 0.00 N ATOM 837 CA VAL A 53 2.925 -1.391 0.552 1.00 0.00 C ATOM 838 C VAL A 53 4.184 -0.562 0.374 1.00 0.00 C ATOM 839 O VAL A 53 4.535 -0.195 -0.743 1.00 0.00 O ATOM 840 CB VAL A 53 2.965 -2.589 -0.416 1.00 0.00 C ATOM 841 CG1 VAL A 53 4.365 -3.180 -0.497 1.00 0.00 C ATOM 842 CG2 VAL A 53 1.963 -3.640 0.013 1.00 0.00 C ATOM 0 H VAL A 53 1.586 -0.361 -0.670 1.00 0.00 H new ATOM 0 HA VAL A 53 2.850 -1.794 1.562 1.00 0.00 H new ATOM 0 HB VAL A 53 2.696 -2.235 -1.411 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.364 -4.024 -1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.061 -2.420 -0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.674 -3.520 0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.000 -4.482 -0.678 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.205 -3.985 1.018 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.961 -3.211 0.009 1.00 0.00 H new ATOM 852 N LEU A 54 4.853 -0.256 1.467 1.00 0.00 N ATOM 853 CA LEU A 54 6.053 0.563 1.404 1.00 0.00 C ATOM 854 C LEU A 54 7.320 -0.256 1.585 1.00 0.00 C ATOM 855 O LEU A 54 7.401 -1.126 2.454 1.00 0.00 O ATOM 856 CB LEU A 54 5.998 1.664 2.457 1.00 0.00 C ATOM 857 CG LEU A 54 6.019 3.086 1.910 1.00 0.00 C ATOM 858 CD1 LEU A 54 4.763 3.364 1.099 1.00 0.00 C ATOM 859 CD2 LEU A 54 6.154 4.074 3.053 1.00 0.00 C ATOM 0 H LEU A 54 4.591 -0.558 2.405 1.00 0.00 H new ATOM 0 HA LEU A 54 6.085 1.006 0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.093 1.533 3.050 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.843 1.540 3.134 1.00 0.00 H new ATOM 0 HG LEU A 54 6.877 3.199 1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.795 4.384 0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.707 2.665 0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.886 3.242 1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 54 6.169 5.089 2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.309 3.962 3.733 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.081 3.882 3.592 1.00 0.00 H new ATOM 871 N GLU A 55 8.310 0.050 0.757 1.00 0.00 N ATOM 872 CA GLU A 55 9.593 -0.633 0.799 1.00 0.00 C ATOM 873 C GLU A 55 10.730 0.376 0.905 1.00 0.00 C ATOM 874 O GLU A 55 10.812 1.315 0.114 1.00 0.00 O ATOM 875 CB GLU A 55 9.779 -1.487 -0.454 1.00 0.00 C ATOM 876 CG GLU A 55 8.527 -2.239 -0.863 1.00 0.00 C ATOM 877 CD GLU A 55 8.554 -3.694 -0.443 1.00 0.00 C ATOM 878 OE1 GLU A 55 8.974 -3.974 0.698 1.00 0.00 O ATOM 879 OE2 GLU A 55 8.162 -4.555 -1.258 1.00 0.00 O ATOM 0 H GLU A 55 8.246 0.774 0.042 1.00 0.00 H new ATOM 0 HA GLU A 55 9.609 -1.278 1.677 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.094 -0.846 -1.278 1.00 0.00 H new ATOM 0 HB3 GLU A 55 10.583 -2.202 -0.281 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.657 -1.754 -0.421 1.00 0.00 H new ATOM 0 HG3 GLU A 55 8.410 -2.180 -1.945 1.00 0.00 H new ATOM 886 N GLY A 56 11.608 0.174 1.876 1.00 0.00 N ATOM 887 CA GLY A 56 12.722 1.080 2.067 1.00 0.00 C ATOM 888 C GLY A 56 13.277 1.021 3.472 1.00 0.00 C ATOM 889 O GLY A 56 12.737 0.322 4.330 1.00 0.00 O ATOM 0 H GLY A 56 11.569 -0.602 2.536 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.512 0.836 1.357 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.400 2.098 1.848 1.00 0.00 H new ATOM 893 N THR A 57 14.359 1.753 3.711 1.00 0.00 N ATOM 894 CA THR A 57 14.981 1.782 5.027 1.00 0.00 C ATOM 895 C THR A 57 13.974 2.184 6.096 1.00 0.00 C ATOM 896 O THR A 57 13.140 3.061 5.881 1.00 0.00 O ATOM 897 CB THR A 57 16.177 2.747 5.064 1.00 0.00 C ATOM 898 OG1 THR A 57 15.894 3.915 4.283 1.00 0.00 O ATOM 899 CG2 THR A 57 17.429 2.063 4.538 1.00 0.00 C ATOM 0 H THR A 57 14.822 2.333 3.011 1.00 0.00 H new ATOM 0 HA THR A 57 15.340 0.774 5.233 1.00 0.00 H new ATOM 0 HB THR A 57 16.349 3.044 6.099 1.00 0.00 H new ATOM 0 HG1 THR A 57 16.661 4.524 4.315 1.00 0.00 H new ATOM 0 HG21 THR A 57 18.266 2.761 4.571 1.00 0.00 H new ATOM 0 HG22 THR A 57 17.656 1.194 5.156 1.00 0.00 H new ATOM 0 HG23 THR A 57 17.264 1.743 3.509 1.00 0.00 H new ATOM 907 N GLU A 58 14.064 1.525 7.246 1.00 0.00 N ATOM 908 CA GLU A 58 13.167 1.787 8.366 1.00 0.00 C ATOM 909 C GLU A 58 13.096 3.276 8.688 1.00 0.00 C ATOM 910 O GLU A 58 12.083 3.764 9.186 1.00 0.00 O ATOM 911 CB GLU A 58 13.631 1.020 9.601 1.00 0.00 C ATOM 912 CG GLU A 58 12.544 0.846 10.647 1.00 0.00 C ATOM 913 CD GLU A 58 13.102 0.538 12.022 1.00 0.00 C ATOM 914 OE1 GLU A 58 13.541 1.484 12.710 1.00 0.00 O ATOM 915 OE2 GLU A 58 13.098 -0.649 12.413 1.00 0.00 O ATOM 0 H GLU A 58 14.756 0.798 7.428 1.00 0.00 H new ATOM 0 HA GLU A 58 12.171 1.451 8.078 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.991 0.038 9.295 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.475 1.544 10.049 1.00 0.00 H new ATOM 0 HG2 GLU A 58 11.945 1.755 10.697 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.876 0.041 10.341 1.00 0.00 H new ATOM 922 N GLU A 59 14.181 3.990 8.411 1.00 0.00 N ATOM 923 CA GLU A 59 14.239 5.423 8.675 1.00 0.00 C ATOM 924 C GLU A 59 13.320 6.193 7.740 1.00 0.00 C ATOM 925 O GLU A 59 12.699 7.182 8.129 1.00 0.00 O ATOM 926 CB GLU A 59 15.661 5.933 8.542 1.00 0.00 C ATOM 927 CG GLU A 59 16.285 5.669 7.182 1.00 0.00 C ATOM 928 CD GLU A 59 17.696 6.210 7.070 1.00 0.00 C ATOM 929 OE1 GLU A 59 18.621 5.572 7.616 1.00 0.00 O ATOM 930 OE2 GLU A 59 17.877 7.271 6.437 1.00 0.00 O ATOM 0 H GLU A 59 15.032 3.601 8.004 1.00 0.00 H new ATOM 0 HA GLU A 59 13.899 5.585 9.698 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.671 7.006 8.733 1.00 0.00 H new ATOM 0 HB3 GLU A 59 16.277 5.466 9.310 1.00 0.00 H new ATOM 0 HG2 GLU A 59 16.296 4.595 6.994 1.00 0.00 H new ATOM 0 HG3 GLU A 59 15.665 6.121 6.408 1.00 0.00 H new ATOM 937 N ALA A 60 13.246 5.727 6.508 1.00 0.00 N ATOM 938 CA ALA A 60 12.405 6.353 5.498 1.00 0.00 C ATOM 939 C ALA A 60 10.944 5.985 5.711 1.00 0.00 C ATOM 940 O ALA A 60 10.058 6.821 5.558 1.00 0.00 O ATOM 941 CB ALA A 60 12.856 5.945 4.104 1.00 0.00 C ATOM 0 H ALA A 60 13.761 4.911 6.178 1.00 0.00 H new ATOM 0 HA ALA A 60 12.504 7.434 5.593 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.217 6.422 3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 60 13.888 6.258 3.949 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.786 4.862 4.001 1.00 0.00 H new ATOM 947 N LEU A 61 10.700 4.726 6.067 1.00 0.00 N ATOM 948 CA LEU A 61 9.343 4.250 6.302 1.00 0.00 C ATOM 949 C LEU A 61 8.694 4.973 7.473 1.00 0.00 C ATOM 950 O LEU A 61 7.538 5.370 7.398 1.00 0.00 O ATOM 951 CB LEU A 61 9.339 2.746 6.556 1.00 0.00 C ATOM 952 CG LEU A 61 10.112 1.914 5.531 1.00 0.00 C ATOM 953 CD1 LEU A 61 9.898 0.428 5.762 1.00 0.00 C ATOM 954 CD2 LEU A 61 9.695 2.283 4.118 1.00 0.00 C ATOM 0 H LEU A 61 11.424 4.020 6.198 1.00 0.00 H new ATOM 0 HA LEU A 61 8.762 4.463 5.405 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.759 2.559 7.544 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.306 2.399 6.578 1.00 0.00 H new ATOM 0 HG LEU A 61 11.172 2.134 5.656 1.00 0.00 H new ATOM 0 HD11 LEU A 61 10.459 -0.140 5.020 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.244 0.161 6.760 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.837 0.195 5.672 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.256 1.680 3.404 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.629 2.095 3.993 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.900 3.339 3.942 1.00 0.00 H new ATOM 966 N GLU A 62 9.441 5.137 8.556 1.00 0.00 N ATOM 967 CA GLU A 62 8.926 5.814 9.740 1.00 0.00 C ATOM 968 C GLU A 62 8.435 7.214 9.393 1.00 0.00 C ATOM 969 O GLU A 62 7.271 7.552 9.610 1.00 0.00 O ATOM 970 CB GLU A 62 10.018 5.907 10.800 1.00 0.00 C ATOM 971 CG GLU A 62 9.504 6.310 12.172 1.00 0.00 C ATOM 972 CD GLU A 62 8.677 5.221 12.828 1.00 0.00 C ATOM 973 OE1 GLU A 62 7.480 5.098 12.491 1.00 0.00 O ATOM 974 OE2 GLU A 62 9.227 4.490 13.679 1.00 0.00 O ATOM 0 H GLU A 62 10.404 4.812 8.640 1.00 0.00 H new ATOM 0 HA GLU A 62 8.087 5.235 10.127 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.519 4.942 10.878 1.00 0.00 H new ATOM 0 HB3 GLU A 62 10.767 6.630 10.475 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.349 6.556 12.815 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.901 7.213 12.079 1.00 0.00 H new ATOM 981 N SER A 63 9.340 8.018 8.855 1.00 0.00 N ATOM 982 CA SER A 63 9.031 9.392 8.471 1.00 0.00 C ATOM 983 C SER A 63 7.923 9.462 7.427 1.00 0.00 C ATOM 984 O SER A 63 6.978 10.238 7.564 1.00 0.00 O ATOM 985 CB SER A 63 10.278 10.073 7.918 1.00 0.00 C ATOM 986 OG SER A 63 11.275 10.212 8.915 1.00 0.00 O ATOM 0 H SER A 63 10.304 7.741 8.672 1.00 0.00 H new ATOM 0 HA SER A 63 8.685 9.905 9.368 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.673 9.492 7.085 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.014 11.055 7.525 1.00 0.00 H new ATOM 0 HG SER A 63 12.063 10.650 8.531 1.00 0.00 H new ATOM 992 N LEU A 64 8.043 8.641 6.390 1.00 0.00 N ATOM 993 CA LEU A 64 7.074 8.621 5.303 1.00 0.00 C ATOM 994 C LEU A 64 5.702 8.292 5.849 1.00 0.00 C ATOM 995 O LEU A 64 4.758 9.061 5.710 1.00 0.00 O ATOM 996 CB LEU A 64 7.500 7.576 4.269 1.00 0.00 C ATOM 997 CG LEU A 64 6.867 7.687 2.878 1.00 0.00 C ATOM 998 CD1 LEU A 64 5.388 7.409 2.949 1.00 0.00 C ATOM 999 CD2 LEU A 64 7.096 9.057 2.277 1.00 0.00 C ATOM 0 H LEU A 64 8.808 7.976 6.280 1.00 0.00 H new ATOM 0 HA LEU A 64 7.033 9.600 4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.583 7.631 4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.271 6.588 4.669 1.00 0.00 H new ATOM 0 HG LEU A 64 7.345 6.944 2.239 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.954 7.492 1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.225 6.402 3.333 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.913 8.132 3.613 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.635 9.103 1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.652 9.816 2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.167 9.240 2.186 1.00 0.00 H new ATOM 1011 N PHE A 65 5.615 7.132 6.462 1.00 0.00 N ATOM 1012 CA PHE A 65 4.386 6.657 7.057 1.00 0.00 C ATOM 1013 C PHE A 65 3.813 7.703 8.010 1.00 0.00 C ATOM 1014 O PHE A 65 2.594 7.838 8.146 1.00 0.00 O ATOM 1015 CB PHE A 65 4.692 5.352 7.786 1.00 0.00 C ATOM 1016 CG PHE A 65 3.563 4.796 8.593 1.00 0.00 C ATOM 1017 CD1 PHE A 65 2.278 4.748 8.086 1.00 0.00 C ATOM 1018 CD2 PHE A 65 3.798 4.317 9.868 1.00 0.00 C ATOM 1019 CE1 PHE A 65 1.246 4.229 8.838 1.00 0.00 C ATOM 1020 CE2 PHE A 65 2.771 3.798 10.625 1.00 0.00 C ATOM 1021 CZ PHE A 65 1.493 3.752 10.110 1.00 0.00 C ATOM 0 H PHE A 65 6.400 6.488 6.562 1.00 0.00 H new ATOM 0 HA PHE A 65 3.634 6.481 6.288 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.995 4.606 7.051 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.544 5.514 8.446 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.081 5.121 7.092 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.798 4.350 10.275 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.245 4.195 8.433 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.967 3.428 11.620 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.686 3.344 10.701 1.00 0.00 H new ATOM 1031 N SER A 66 4.701 8.449 8.659 1.00 0.00 N ATOM 1032 CA SER A 66 4.276 9.493 9.582 1.00 0.00 C ATOM 1033 C SER A 66 3.756 10.698 8.812 1.00 0.00 C ATOM 1034 O SER A 66 2.965 11.484 9.335 1.00 0.00 O ATOM 1035 CB SER A 66 5.429 9.905 10.498 1.00 0.00 C ATOM 1036 OG SER A 66 5.036 10.944 11.378 1.00 0.00 O ATOM 0 H SER A 66 5.712 8.351 8.564 1.00 0.00 H new ATOM 0 HA SER A 66 3.470 9.098 10.201 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.765 9.043 11.075 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.276 10.235 9.896 1.00 0.00 H new ATOM 0 HG SER A 66 5.791 11.188 11.954 1.00 0.00 H new ATOM 1042 N GLU A 67 4.204 10.841 7.567 1.00 0.00 N ATOM 1043 CA GLU A 67 3.758 11.934 6.727 1.00 0.00 C ATOM 1044 C GLU A 67 2.363 11.621 6.227 1.00 0.00 C ATOM 1045 O GLU A 67 1.551 12.510 5.969 1.00 0.00 O ATOM 1046 CB GLU A 67 4.706 12.104 5.547 1.00 0.00 C ATOM 1047 CG GLU A 67 6.100 12.554 5.945 1.00 0.00 C ATOM 1048 CD GLU A 67 6.366 14.006 5.602 1.00 0.00 C ATOM 1049 OE1 GLU A 67 5.863 14.889 6.329 1.00 0.00 O ATOM 1050 OE2 GLU A 67 7.076 14.260 4.606 1.00 0.00 O ATOM 0 H GLU A 67 4.874 10.212 7.124 1.00 0.00 H new ATOM 0 HA GLU A 67 3.748 12.861 7.300 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.778 11.158 5.011 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.283 12.831 4.854 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.232 12.408 7.017 1.00 0.00 H new ATOM 0 HG3 GLU A 67 6.837 11.926 5.445 1.00 0.00 H new ATOM 1057 N ILE A 68 2.112 10.329 6.099 1.00 0.00 N ATOM 1058 CA ILE A 68 0.842 9.814 5.643 1.00 0.00 C ATOM 1059 C ILE A 68 -0.271 10.124 6.629 1.00 0.00 C ATOM 1060 O ILE A 68 -1.275 10.720 6.260 1.00 0.00 O ATOM 1061 CB ILE A 68 0.970 8.300 5.403 1.00 0.00 C ATOM 1062 CG1 ILE A 68 1.466 8.055 3.985 1.00 0.00 C ATOM 1063 CG2 ILE A 68 -0.339 7.555 5.644 1.00 0.00 C ATOM 1064 CD1 ILE A 68 2.577 8.980 3.561 1.00 0.00 C ATOM 0 H ILE A 68 2.796 9.603 6.313 1.00 0.00 H new ATOM 0 HA ILE A 68 0.576 10.304 4.707 1.00 0.00 H new ATOM 0 HB ILE A 68 1.688 7.909 6.124 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.813 7.025 3.904 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.630 8.165 3.294 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.191 6.491 5.460 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.658 7.704 6.676 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.105 7.937 4.969 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.877 8.744 2.540 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.229 10.012 3.608 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.430 8.854 4.228 1.00 0.00 H new ATOM 1076 N GLN A 69 -0.092 9.742 7.887 1.00 0.00 N ATOM 1077 CA GLN A 69 -1.128 9.985 8.887 1.00 0.00 C ATOM 1078 C GLN A 69 -1.364 11.479 9.084 1.00 0.00 C ATOM 1079 O GLN A 69 -2.326 11.883 9.737 1.00 0.00 O ATOM 1080 CB GLN A 69 -0.770 9.321 10.211 1.00 0.00 C ATOM 1081 CG GLN A 69 -0.382 7.860 10.072 1.00 0.00 C ATOM 1082 CD GLN A 69 -0.132 7.196 11.409 1.00 0.00 C ATOM 1083 OE1 GLN A 69 -0.774 7.520 12.409 1.00 0.00 O ATOM 1084 NE2 GLN A 69 0.818 6.272 11.438 1.00 0.00 N ATOM 0 H GLN A 69 0.743 9.272 8.236 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.054 9.543 8.520 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.055 9.866 10.670 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.620 9.400 10.889 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.174 7.326 9.547 1.00 0.00 H new ATOM 0 HG3 GLN A 69 0.516 7.783 9.458 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.325 6.035 10.585 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.042 5.798 12.313 1.00 0.00 H new ATOM 1093 N SER A 70 -0.483 12.293 8.514 1.00 0.00 N ATOM 1094 CA SER A 70 -0.603 13.743 8.617 1.00 0.00 C ATOM 1095 C SER A 70 -1.350 14.303 7.409 1.00 0.00 C ATOM 1096 O SER A 70 -1.352 15.510 7.169 1.00 0.00 O ATOM 1097 CB SER A 70 0.783 14.381 8.717 1.00 0.00 C ATOM 1098 OG SER A 70 0.689 15.781 8.916 1.00 0.00 O ATOM 0 H SER A 70 0.322 11.974 7.976 1.00 0.00 H new ATOM 0 HA SER A 70 -1.168 13.981 9.518 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.335 13.930 9.541 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.347 14.177 7.807 1.00 0.00 H new ATOM 0 HG SER A 70 -0.046 16.140 8.376 1.00 0.00 H new ATOM 1104 N ASP A 71 -1.985 13.411 6.655 1.00 0.00 N ATOM 1105 CA ASP A 71 -2.733 13.801 5.464 1.00 0.00 C ATOM 1106 C ASP A 71 -4.223 13.959 5.782 1.00 0.00 C ATOM 1107 O ASP A 71 -4.772 13.209 6.588 1.00 0.00 O ATOM 1108 CB ASP A 71 -2.545 12.755 4.364 1.00 0.00 C ATOM 1109 CG ASP A 71 -2.186 13.379 3.031 1.00 0.00 C ATOM 1110 OD1 ASP A 71 -3.112 13.734 2.273 1.00 0.00 O ATOM 1111 OD2 ASP A 71 -0.978 13.513 2.744 1.00 0.00 O ATOM 0 H ASP A 71 -1.996 12.410 6.848 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.351 14.762 5.119 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -1.761 12.058 4.659 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -3.462 12.176 4.256 1.00 0.00 H new ATOM 1116 N PRO A 72 -4.898 14.942 5.148 1.00 0.00 N ATOM 1117 CA PRO A 72 -6.321 15.196 5.375 1.00 0.00 C ATOM 1118 C PRO A 72 -7.237 14.328 4.515 1.00 0.00 C ATOM 1119 O PRO A 72 -8.415 14.160 4.833 1.00 0.00 O ATOM 1120 CB PRO A 72 -6.460 16.664 4.983 1.00 0.00 C ATOM 1121 CG PRO A 72 -5.456 16.860 3.898 1.00 0.00 C ATOM 1122 CD PRO A 72 -4.327 15.893 4.172 1.00 0.00 C ATOM 0 HA PRO A 72 -6.617 14.965 6.398 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.468 16.888 4.635 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -6.262 17.321 5.830 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.900 16.670 2.921 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.092 17.887 3.888 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.006 15.386 3.262 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.454 16.404 4.577 1.00 0.00 H new ATOM 1130 N ARG A 73 -6.702 13.779 3.425 1.00 0.00 N ATOM 1131 CA ARG A 73 -7.495 12.935 2.533 1.00 0.00 C ATOM 1132 C ARG A 73 -8.055 11.728 3.282 1.00 0.00 C ATOM 1133 O ARG A 73 -9.214 11.733 3.698 1.00 0.00 O ATOM 1134 CB ARG A 73 -6.665 12.479 1.339 1.00 0.00 C ATOM 1135 CG ARG A 73 -7.430 11.570 0.390 1.00 0.00 C ATOM 1136 CD ARG A 73 -6.979 11.745 -1.051 1.00 0.00 C ATOM 1137 NE ARG A 73 -6.816 13.150 -1.409 1.00 0.00 N ATOM 1138 CZ ARG A 73 -7.550 13.772 -2.326 1.00 0.00 C ATOM 1139 NH1 ARG A 73 -8.512 13.119 -2.967 1.00 0.00 N ATOM 1140 NH2 ARG A 73 -7.326 15.049 -2.602 1.00 0.00 N ATOM 0 H ARG A 73 -5.730 13.902 3.140 1.00 0.00 H new ATOM 0 HA ARG A 73 -8.331 13.530 2.165 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.317 13.355 0.791 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -5.780 11.955 1.699 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -7.290 10.532 0.690 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.496 11.782 0.465 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -6.035 11.221 -1.201 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -7.708 11.284 -1.717 1.00 0.00 H new ATOM 0 HE ARG A 73 -6.095 13.687 -0.927 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.690 12.137 -2.756 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -9.073 13.599 -3.670 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.590 15.555 -2.110 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.890 15.525 -3.306 1.00 0.00 H new ATOM 1154 N HIS A 74 -7.234 10.690 3.445 1.00 0.00 N ATOM 1155 CA HIS A 74 -7.655 9.495 4.165 1.00 0.00 C ATOM 1156 C HIS A 74 -7.882 9.839 5.635 1.00 0.00 C ATOM 1157 O HIS A 74 -8.138 10.998 5.965 1.00 0.00 O ATOM 1158 CB HIS A 74 -6.607 8.392 4.030 1.00 0.00 C ATOM 1159 CG HIS A 74 -5.220 8.845 4.351 1.00 0.00 C ATOM 1160 ND1 HIS A 74 -4.103 8.360 3.708 1.00 0.00 N ATOM 1161 CD2 HIS A 74 -4.772 9.748 5.251 1.00 0.00 C ATOM 1162 CE1 HIS A 74 -3.029 8.947 4.200 1.00 0.00 C ATOM 1163 NE2 HIS A 74 -3.408 9.795 5.137 1.00 0.00 N ATOM 0 H HIS A 74 -6.279 10.655 3.089 1.00 0.00 H new ATOM 0 HA HIS A 74 -8.588 9.130 3.735 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -6.873 7.566 4.690 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -6.628 8.005 3.011 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -5.377 10.326 5.934 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.011 8.764 3.888 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -2.787 10.389 5.687 1.00 0.00 H new ATOM 1172 N ARG A 75 -7.791 8.854 6.527 1.00 0.00 N ATOM 1173 CA ARG A 75 -8.004 9.139 7.942 1.00 0.00 C ATOM 1174 C ARG A 75 -7.510 8.032 8.877 1.00 0.00 C ATOM 1175 O ARG A 75 -6.648 8.264 9.725 1.00 0.00 O ATOM 1176 CB ARG A 75 -9.494 9.381 8.180 1.00 0.00 C ATOM 1177 CG ARG A 75 -10.383 8.396 7.448 1.00 0.00 C ATOM 1178 CD ARG A 75 -11.753 8.984 7.169 1.00 0.00 C ATOM 1179 NE ARG A 75 -12.825 8.162 7.727 1.00 0.00 N ATOM 1180 CZ ARG A 75 -13.814 8.645 8.475 1.00 0.00 C ATOM 1181 NH1 ARG A 75 -13.868 9.942 8.752 1.00 0.00 N ATOM 1182 NH2 ARG A 75 -14.749 7.832 8.946 1.00 0.00 N ATOM 0 H ARG A 75 -7.578 7.882 6.305 1.00 0.00 H new ATOM 0 HA ARG A 75 -7.414 10.024 8.179 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -9.699 9.321 9.249 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.746 10.393 7.863 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.912 8.108 6.508 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -10.490 7.489 8.043 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -11.809 9.988 7.590 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.894 9.081 6.092 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.814 7.161 7.532 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.150 10.571 8.391 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.627 10.310 9.326 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.711 6.835 8.735 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -15.506 8.204 9.519 1.00 0.00 H new ATOM 1196 N ASP A 76 -8.058 6.836 8.717 1.00 0.00 N ATOM 1197 CA ASP A 76 -7.727 5.709 9.589 1.00 0.00 C ATOM 1198 C ASP A 76 -6.475 4.942 9.177 1.00 0.00 C ATOM 1199 O ASP A 76 -6.471 3.710 9.181 1.00 0.00 O ATOM 1200 CB ASP A 76 -8.902 4.753 9.631 1.00 0.00 C ATOM 1201 CG ASP A 76 -9.016 4.020 10.953 1.00 0.00 C ATOM 1202 OD1 ASP A 76 -9.572 4.601 11.908 1.00 0.00 O ATOM 1203 OD2 ASP A 76 -8.547 2.865 11.034 1.00 0.00 O ATOM 0 H ASP A 76 -8.738 6.617 7.989 1.00 0.00 H new ATOM 0 HA ASP A 76 -7.516 6.134 10.570 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.822 5.307 9.448 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -8.802 4.026 8.825 1.00 0.00 H new ATOM 1208 N VAL A 77 -5.417 5.653 8.835 1.00 0.00 N ATOM 1209 CA VAL A 77 -4.168 5.001 8.466 1.00 0.00 C ATOM 1210 C VAL A 77 -3.526 4.377 9.695 1.00 0.00 C ATOM 1211 O VAL A 77 -3.187 5.069 10.656 1.00 0.00 O ATOM 1212 CB VAL A 77 -3.187 5.983 7.797 1.00 0.00 C ATOM 1213 CG1 VAL A 77 -3.349 7.357 8.388 1.00 0.00 C ATOM 1214 CG2 VAL A 77 -1.753 5.507 7.908 1.00 0.00 C ATOM 0 H VAL A 77 -5.393 6.672 8.804 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.401 4.221 7.741 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.426 6.028 6.734 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.651 8.044 7.909 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.369 7.705 8.226 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -3.144 7.319 9.458 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.092 6.226 7.424 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.481 5.414 8.959 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.653 4.537 7.420 1.00 0.00 H new ATOM 1224 N VAL A 78 -3.365 3.063 9.655 1.00 0.00 N ATOM 1225 CA VAL A 78 -2.775 2.331 10.759 1.00 0.00 C ATOM 1226 C VAL A 78 -1.677 1.407 10.254 1.00 0.00 C ATOM 1227 O VAL A 78 -1.830 0.753 9.220 1.00 0.00 O ATOM 1228 CB VAL A 78 -3.844 1.510 11.505 1.00 0.00 C ATOM 1229 CG1 VAL A 78 -4.416 0.425 10.606 1.00 0.00 C ATOM 1230 CG2 VAL A 78 -3.268 0.914 12.780 1.00 0.00 C ATOM 0 H VAL A 78 -3.638 2.481 8.863 1.00 0.00 H new ATOM 0 HA VAL A 78 -2.344 3.054 11.452 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.658 2.179 11.782 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.169 -0.142 11.154 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.874 0.883 9.729 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.616 -0.245 10.290 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.038 0.338 13.293 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.432 0.261 12.531 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.920 1.716 13.432 1.00 0.00 H new ATOM 1240 N GLU A 79 -0.566 1.361 10.977 1.00 0.00 N ATOM 1241 CA GLU A 79 0.551 0.518 10.582 1.00 0.00 C ATOM 1242 C GLU A 79 0.149 -0.941 10.572 1.00 0.00 C ATOM 1243 O GLU A 79 -0.094 -1.543 11.618 1.00 0.00 O ATOM 1244 CB GLU A 79 1.735 0.704 11.513 1.00 0.00 C ATOM 1245 CG GLU A 79 3.070 0.455 10.836 1.00 0.00 C ATOM 1246 CD GLU A 79 4.203 0.303 11.830 1.00 0.00 C ATOM 1247 OE1 GLU A 79 4.720 1.338 12.302 1.00 0.00 O ATOM 1248 OE2 GLU A 79 4.574 -0.848 12.137 1.00 0.00 O ATOM 0 H GLU A 79 -0.416 1.894 11.834 1.00 0.00 H new ATOM 0 HA GLU A 79 0.842 0.818 9.575 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.720 1.718 11.912 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.633 0.027 12.361 1.00 0.00 H new ATOM 0 HG2 GLU A 79 3.002 -0.446 10.226 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.291 1.281 10.161 1.00 0.00 H new ATOM 1255 N LEU A 80 0.086 -1.495 9.381 1.00 0.00 N ATOM 1256 CA LEU A 80 -0.275 -2.887 9.204 1.00 0.00 C ATOM 1257 C LEU A 80 0.929 -3.785 9.406 1.00 0.00 C ATOM 1258 O LEU A 80 0.836 -4.862 9.995 1.00 0.00 O ATOM 1259 CB LEU A 80 -0.832 -3.112 7.808 1.00 0.00 C ATOM 1260 CG LEU A 80 -2.121 -2.373 7.505 1.00 0.00 C ATOM 1261 CD1 LEU A 80 -2.680 -2.791 6.154 1.00 0.00 C ATOM 1262 CD2 LEU A 80 -3.119 -2.619 8.608 1.00 0.00 C ATOM 0 H LEU A 80 0.282 -0.998 8.512 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.034 -3.134 9.947 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.079 -2.811 7.080 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -1.002 -4.180 7.669 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.914 -1.304 7.455 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.605 -2.248 5.959 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.954 -2.564 5.374 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.883 -3.862 6.160 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.044 -2.087 8.387 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.324 -3.687 8.682 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.712 -2.262 9.554 1.00 0.00 H new ATOM 1274 N MET A 81 2.060 -3.318 8.907 1.00 0.00 N ATOM 1275 CA MET A 81 3.304 -4.068 8.986 1.00 0.00 C ATOM 1276 C MET A 81 4.529 -3.190 9.008 1.00 0.00 C ATOM 1277 O MET A 81 4.462 -1.978 8.829 1.00 0.00 O ATOM 1278 CB MET A 81 3.435 -5.007 7.820 1.00 0.00 C ATOM 1279 CG MET A 81 4.165 -6.270 8.198 1.00 0.00 C ATOM 1280 SD MET A 81 5.806 -6.421 7.465 1.00 0.00 S ATOM 1281 CE MET A 81 5.506 -5.889 5.786 1.00 0.00 C ATOM 0 H MET A 81 2.144 -2.416 8.439 1.00 0.00 H new ATOM 0 HA MET A 81 3.252 -4.614 9.928 1.00 0.00 H new ATOM 0 HB2 MET A 81 2.444 -5.259 7.443 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.967 -4.508 7.010 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.259 -6.312 9.283 1.00 0.00 H new ATOM 0 HG3 MET A 81 3.564 -7.128 7.897 1.00 0.00 H new ATOM 0 HE1 MET A 81 6.371 -6.131 5.168 1.00 0.00 H new ATOM 0 HE2 MET A 81 4.626 -6.399 5.394 1.00 0.00 H new ATOM 0 HE3 MET A 81 5.338 -4.812 5.770 1.00 0.00 H new ATOM 1291 N ARG A 82 5.650 -3.852 9.234 1.00 0.00 N ATOM 1292 CA ARG A 82 6.951 -3.225 9.263 1.00 0.00 C ATOM 1293 C ARG A 82 7.996 -4.262 9.610 1.00 0.00 C ATOM 1294 O ARG A 82 8.331 -4.480 10.774 1.00 0.00 O ATOM 1295 CB ARG A 82 7.016 -2.070 10.239 1.00 0.00 C ATOM 1296 CG ARG A 82 8.294 -1.272 10.097 1.00 0.00 C ATOM 1297 CD ARG A 82 8.147 0.149 10.617 1.00 0.00 C ATOM 1298 NE ARG A 82 7.313 0.216 11.810 1.00 0.00 N ATOM 1299 CZ ARG A 82 7.794 0.327 13.046 1.00 0.00 C ATOM 1300 NH1 ARG A 82 9.104 0.378 13.249 1.00 0.00 N ATOM 1301 NH2 ARG A 82 6.965 0.386 14.078 1.00 0.00 N ATOM 0 H ARG A 82 5.678 -4.857 9.405 1.00 0.00 H new ATOM 0 HA ARG A 82 7.144 -2.812 8.273 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.160 -1.414 10.080 1.00 0.00 H new ATOM 0 HB3 ARG A 82 6.940 -2.452 11.257 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.095 -1.774 10.639 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.588 -1.244 9.048 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.133 0.555 10.842 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.714 0.776 9.838 1.00 0.00 H new ATOM 0 HE ARG A 82 6.301 0.175 11.691 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.745 0.332 12.457 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.470 0.463 14.197 1.00 0.00 H new ATOM 0 HH21 ARG A 82 5.957 0.346 13.926 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.335 0.471 15.025 1.00 0.00 H new ATOM 1315 N ASP A 83 8.500 -4.893 8.573 1.00 0.00 N ATOM 1316 CA ASP A 83 9.492 -5.957 8.719 1.00 0.00 C ATOM 1317 C ASP A 83 10.781 -5.644 7.977 1.00 0.00 C ATOM 1318 O ASP A 83 10.768 -5.025 6.918 1.00 0.00 O ATOM 1319 CB ASP A 83 8.920 -7.271 8.192 1.00 0.00 C ATOM 1320 CG ASP A 83 9.758 -8.470 8.589 1.00 0.00 C ATOM 1321 OD1 ASP A 83 9.494 -9.049 9.664 1.00 0.00 O ATOM 1322 OD2 ASP A 83 10.678 -8.830 7.825 1.00 0.00 O ATOM 0 H ASP A 83 8.242 -4.692 7.607 1.00 0.00 H new ATOM 0 HA ASP A 83 9.725 -6.040 9.780 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.906 -7.400 8.570 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.851 -7.224 7.105 1.00 0.00 H new ATOM 1327 N TYR A 84 11.895 -6.095 8.539 1.00 0.00 N ATOM 1328 CA TYR A 84 13.198 -5.879 7.928 1.00 0.00 C ATOM 1329 C TYR A 84 13.331 -6.679 6.638 1.00 0.00 C ATOM 1330 O TYR A 84 12.920 -7.837 6.568 1.00 0.00 O ATOM 1331 CB TYR A 84 14.302 -6.272 8.898 1.00 0.00 C ATOM 1332 CG TYR A 84 14.442 -5.293 10.028 1.00 0.00 C ATOM 1333 CD1 TYR A 84 14.649 -3.951 9.765 1.00 0.00 C ATOM 1334 CD2 TYR A 84 14.360 -5.703 11.349 1.00 0.00 C ATOM 1335 CE1 TYR A 84 14.774 -3.040 10.782 1.00 0.00 C ATOM 1336 CE2 TYR A 84 14.485 -4.794 12.382 1.00 0.00 C ATOM 1337 CZ TYR A 84 14.693 -3.461 12.092 1.00 0.00 C ATOM 1338 OH TYR A 84 14.821 -2.548 13.115 1.00 0.00 O ATOM 0 H TYR A 84 11.921 -6.613 9.417 1.00 0.00 H new ATOM 0 HA TYR A 84 13.292 -4.820 7.688 1.00 0.00 H new ATOM 0 HB2 TYR A 84 14.092 -7.262 9.302 1.00 0.00 H new ATOM 0 HB3 TYR A 84 15.248 -6.341 8.360 1.00 0.00 H new ATOM 0 HD1 TYR A 84 14.713 -3.615 8.741 1.00 0.00 H new ATOM 0 HD2 TYR A 84 14.196 -6.747 11.574 1.00 0.00 H new ATOM 0 HE1 TYR A 84 14.935 -1.996 10.557 1.00 0.00 H new ATOM 0 HE2 TYR A 84 14.420 -5.124 13.408 1.00 0.00 H new ATOM 0 HH TYR A 84 14.293 -1.749 12.908 1.00 0.00 H new ATOM 1348 N SER A 85 13.912 -6.055 5.623 1.00 0.00 N ATOM 1349 CA SER A 85 14.106 -6.702 4.331 1.00 0.00 C ATOM 1350 C SER A 85 15.528 -6.502 3.837 1.00 0.00 C ATOM 1351 O SER A 85 16.275 -5.682 4.370 1.00 0.00 O ATOM 1352 CB SER A 85 13.110 -6.156 3.305 1.00 0.00 C ATOM 1353 OG SER A 85 11.774 -6.393 3.714 1.00 0.00 O ATOM 0 H SER A 85 14.259 -5.097 5.669 1.00 0.00 H new ATOM 0 HA SER A 85 13.931 -7.771 4.456 1.00 0.00 H new ATOM 0 HB2 SER A 85 13.269 -5.086 3.173 1.00 0.00 H new ATOM 0 HB3 SER A 85 13.286 -6.626 2.337 1.00 0.00 H new ATOM 0 HG SER A 85 11.189 -5.705 3.334 1.00 0.00 H new ATOM 1359 N ALA A 86 15.891 -7.261 2.813 1.00 0.00 N ATOM 1360 CA ALA A 86 17.225 -7.188 2.245 1.00 0.00 C ATOM 1361 C ALA A 86 17.178 -6.976 0.739 1.00 0.00 C ATOM 1362 O ALA A 86 18.210 -6.956 0.071 1.00 0.00 O ATOM 1363 CB ALA A 86 17.982 -8.458 2.573 1.00 0.00 C ATOM 0 H ALA A 86 15.276 -7.936 2.359 1.00 0.00 H new ATOM 0 HA ALA A 86 17.739 -6.332 2.681 1.00 0.00 H new ATOM 0 HB1 ALA A 86 18.984 -8.405 2.147 1.00 0.00 H new ATOM 0 HB2 ALA A 86 18.053 -8.570 3.655 1.00 0.00 H new ATOM 0 HB3 ALA A 86 17.455 -9.315 2.153 1.00 0.00 H new ATOM 1369 N TYR A 87 15.970 -6.823 0.211 1.00 0.00 N ATOM 1370 CA TYR A 87 15.787 -6.624 -1.218 1.00 0.00 C ATOM 1371 C TYR A 87 14.474 -5.905 -1.513 1.00 0.00 C ATOM 1372 O TYR A 87 13.513 -6.000 -0.749 1.00 0.00 O ATOM 1373 CB TYR A 87 15.830 -7.970 -1.948 1.00 0.00 C ATOM 1374 CG TYR A 87 14.977 -9.045 -1.309 1.00 0.00 C ATOM 1375 CD1 TYR A 87 15.348 -9.634 -0.104 1.00 0.00 C ATOM 1376 CD2 TYR A 87 13.804 -9.477 -1.914 1.00 0.00 C ATOM 1377 CE1 TYR A 87 14.573 -10.620 0.477 1.00 0.00 C ATOM 1378 CE2 TYR A 87 13.023 -10.461 -1.339 1.00 0.00 C ATOM 1379 CZ TYR A 87 13.412 -11.029 -0.144 1.00 0.00 C ATOM 1380 OH TYR A 87 12.637 -12.010 0.431 1.00 0.00 O ATOM 0 H TYR A 87 15.105 -6.833 0.751 1.00 0.00 H new ATOM 0 HA TYR A 87 16.602 -5.996 -1.579 1.00 0.00 H new ATOM 0 HB2 TYR A 87 15.502 -7.824 -2.977 1.00 0.00 H new ATOM 0 HB3 TYR A 87 16.863 -8.317 -1.989 1.00 0.00 H new ATOM 0 HD1 TYR A 87 16.257 -9.315 0.385 1.00 0.00 H new ATOM 0 HD2 TYR A 87 13.497 -9.036 -2.851 1.00 0.00 H new ATOM 0 HE1 TYR A 87 14.875 -11.068 1.412 1.00 0.00 H new ATOM 0 HE2 TYR A 87 12.113 -10.784 -1.823 1.00 0.00 H new ATOM 0 HH TYR A 87 11.854 -12.181 -0.133 1.00 0.00 H new ATOM 1390 N ARG A 88 14.447 -5.184 -2.630 1.00 0.00 N ATOM 1391 CA ARG A 88 13.262 -4.438 -3.043 1.00 0.00 C ATOM 1392 C ARG A 88 12.399 -5.259 -3.996 1.00 0.00 C ATOM 1393 O ARG A 88 12.849 -5.650 -5.073 1.00 0.00 O ATOM 1394 CB ARG A 88 13.679 -3.136 -3.730 1.00 0.00 C ATOM 1395 CG ARG A 88 13.650 -1.915 -2.827 1.00 0.00 C ATOM 1396 CD ARG A 88 14.002 -0.653 -3.598 1.00 0.00 C ATOM 1397 NE ARG A 88 15.420 -0.598 -3.946 1.00 0.00 N ATOM 1398 CZ ARG A 88 15.871 -0.263 -5.151 1.00 0.00 C ATOM 1399 NH1 ARG A 88 15.020 0.034 -6.125 1.00 0.00 N ATOM 1400 NH2 ARG A 88 17.176 -0.228 -5.385 1.00 0.00 N ATOM 0 H ARG A 88 15.238 -5.100 -3.269 1.00 0.00 H new ATOM 0 HA ARG A 88 12.677 -4.214 -2.151 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.687 -3.255 -4.127 1.00 0.00 H new ATOM 0 HB3 ARG A 88 13.020 -2.960 -4.580 1.00 0.00 H new ATOM 0 HG2 ARG A 88 12.659 -1.810 -2.385 1.00 0.00 H new ATOM 0 HG3 ARG A 88 14.353 -2.050 -2.005 1.00 0.00 H new ATOM 0 HD2 ARG A 88 13.404 -0.606 -4.508 1.00 0.00 H new ATOM 0 HD3 ARG A 88 13.742 0.221 -3.000 1.00 0.00 H new ATOM 0 HE ARG A 88 16.102 -0.830 -3.224 1.00 0.00 H new ATOM 0 HH11 ARG A 88 14.015 0.006 -5.951 1.00 0.00 H new ATOM 0 HH12 ARG A 88 15.371 0.290 -7.048 1.00 0.00 H new ATOM 0 HH21 ARG A 88 17.834 -0.458 -4.640 1.00 0.00 H new ATOM 0 HH22 ARG A 88 17.522 0.029 -6.310 1.00 0.00 H new ATOM 1414 N ARG A 89 11.156 -5.516 -3.596 1.00 0.00 N ATOM 1415 CA ARG A 89 10.231 -6.278 -4.431 1.00 0.00 C ATOM 1416 C ARG A 89 9.808 -5.446 -5.634 1.00 0.00 C ATOM 1417 O ARG A 89 9.652 -5.965 -6.740 1.00 0.00 O ATOM 1418 CB ARG A 89 9.001 -6.706 -3.627 1.00 0.00 C ATOM 1419 CG ARG A 89 9.300 -7.726 -2.537 1.00 0.00 C ATOM 1420 CD ARG A 89 9.735 -9.064 -3.119 1.00 0.00 C ATOM 1421 NE ARG A 89 11.081 -9.009 -3.684 1.00 0.00 N ATOM 1422 CZ ARG A 89 11.510 -9.813 -4.653 1.00 0.00 C ATOM 1423 NH1 ARG A 89 10.703 -10.732 -5.164 1.00 0.00 N ATOM 1424 NH2 ARG A 89 12.747 -9.696 -5.114 1.00 0.00 N ATOM 0 H ARG A 89 10.768 -5.210 -2.704 1.00 0.00 H new ATOM 0 HA ARG A 89 10.741 -7.176 -4.780 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.552 -5.823 -3.172 1.00 0.00 H new ATOM 0 HB3 ARG A 89 8.261 -7.124 -4.309 1.00 0.00 H new ATOM 0 HG2 ARG A 89 10.084 -7.341 -1.884 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.413 -7.869 -1.920 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.701 -9.825 -2.340 1.00 0.00 H new ATOM 0 HD3 ARG A 89 9.030 -9.368 -3.893 1.00 0.00 H new ATOM 0 HE ARG A 89 11.729 -8.314 -3.314 1.00 0.00 H new ATOM 0 HH11 ARG A 89 9.749 -10.825 -4.814 1.00 0.00 H new ATOM 0 HH12 ARG A 89 11.036 -11.347 -5.907 1.00 0.00 H new ATOM 0 HH21 ARG A 89 13.371 -8.989 -4.726 1.00 0.00 H new ATOM 0 HH22 ARG A 89 13.075 -10.313 -5.857 1.00 0.00 H new ATOM 1438 N PHE A 90 9.621 -4.151 -5.404 1.00 0.00 N ATOM 1439 CA PHE A 90 9.239 -3.229 -6.463 1.00 0.00 C ATOM 1440 C PHE A 90 10.462 -2.434 -6.912 1.00 0.00 C ATOM 1441 O PHE A 90 11.098 -1.758 -6.106 1.00 0.00 O ATOM 1442 CB PHE A 90 8.142 -2.277 -5.976 1.00 0.00 C ATOM 1443 CG PHE A 90 6.894 -2.976 -5.505 1.00 0.00 C ATOM 1444 CD1 PHE A 90 6.796 -3.450 -4.206 1.00 0.00 C ATOM 1445 CD2 PHE A 90 5.819 -3.151 -6.360 1.00 0.00 C ATOM 1446 CE1 PHE A 90 5.647 -4.088 -3.769 1.00 0.00 C ATOM 1447 CE2 PHE A 90 4.669 -3.790 -5.930 1.00 0.00 C ATOM 1448 CZ PHE A 90 4.584 -4.258 -4.634 1.00 0.00 C ATOM 0 H PHE A 90 9.729 -3.716 -4.488 1.00 0.00 H new ATOM 0 HA PHE A 90 8.849 -3.800 -7.306 1.00 0.00 H new ATOM 0 HB2 PHE A 90 8.536 -1.670 -5.161 1.00 0.00 H new ATOM 0 HB3 PHE A 90 7.881 -1.594 -6.785 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.625 -3.320 -3.527 1.00 0.00 H new ATOM 0 HD2 PHE A 90 5.879 -2.785 -7.374 1.00 0.00 H new ATOM 0 HE1 PHE A 90 5.583 -4.452 -2.754 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.839 -3.922 -6.608 1.00 0.00 H new ATOM 0 HZ PHE A 90 3.687 -4.757 -4.297 1.00 0.00 H new ATOM 1458 N HIS A 91 10.798 -2.528 -8.196 1.00 0.00 N ATOM 1459 CA HIS A 91 11.960 -1.820 -8.728 1.00 0.00 C ATOM 1460 C HIS A 91 11.545 -0.635 -9.593 1.00 0.00 C ATOM 1461 O HIS A 91 11.681 0.519 -9.185 1.00 0.00 O ATOM 1462 CB HIS A 91 12.839 -2.777 -9.537 1.00 0.00 C ATOM 1463 CG HIS A 91 14.092 -2.144 -10.058 1.00 0.00 C ATOM 1464 ND1 HIS A 91 14.366 -2.012 -11.404 1.00 0.00 N ATOM 1465 CD2 HIS A 91 15.151 -1.606 -9.407 1.00 0.00 C ATOM 1466 CE1 HIS A 91 15.538 -1.422 -11.558 1.00 0.00 C ATOM 1467 NE2 HIS A 91 16.034 -1.165 -10.362 1.00 0.00 N ATOM 0 H HIS A 91 10.287 -3.083 -8.883 1.00 0.00 H new ATOM 0 HA HIS A 91 12.530 -1.436 -7.882 1.00 0.00 H new ATOM 0 HB2 HIS A 91 13.105 -3.629 -8.912 1.00 0.00 H new ATOM 0 HB3 HIS A 91 12.262 -3.165 -10.376 1.00 0.00 H new ATOM 0 HD2 HIS A 91 15.277 -1.537 -8.337 1.00 0.00 H new ATOM 0 HE1 HIS A 91 16.010 -1.190 -12.501 1.00 0.00 H new ATOM 0 HE2 HIS A 91 16.929 -0.712 -10.177 1.00 0.00 H new ATOM 1476 N GLY A 92 11.043 -0.924 -10.790 1.00 0.00 N ATOM 1477 CA GLY A 92 10.624 0.132 -11.692 1.00 0.00 C ATOM 1478 C GLY A 92 9.260 0.691 -11.342 1.00 0.00 C ATOM 1479 O GLY A 92 8.447 0.957 -12.227 1.00 0.00 O ATOM 0 H GLY A 92 10.919 -1.870 -11.150 1.00 0.00 H new ATOM 0 HA2 GLY A 92 11.359 0.937 -11.669 1.00 0.00 H new ATOM 0 HA3 GLY A 92 10.604 -0.253 -12.712 1.00 0.00 H new ATOM 1483 N THR A 93 9.006 0.873 -10.048 1.00 0.00 N ATOM 1484 CA THR A 93 7.727 1.401 -9.591 1.00 0.00 C ATOM 1485 C THR A 93 7.847 2.012 -8.195 1.00 0.00 C ATOM 1486 O THR A 93 7.614 1.337 -7.192 1.00 0.00 O ATOM 1487 CB THR A 93 6.649 0.302 -9.565 1.00 0.00 C ATOM 1488 OG1 THR A 93 6.723 -0.492 -10.754 1.00 0.00 O ATOM 1489 CG2 THR A 93 5.263 0.913 -9.451 1.00 0.00 C ATOM 0 H THR A 93 9.668 0.663 -9.301 1.00 0.00 H new ATOM 0 HA THR A 93 7.433 2.177 -10.298 1.00 0.00 H new ATOM 0 HB THR A 93 6.830 -0.330 -8.696 1.00 0.00 H new ATOM 0 HG1 THR A 93 6.994 0.072 -11.508 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.516 0.120 -9.434 1.00 0.00 H new ATOM 0 HG22 THR A 93 5.196 1.494 -8.531 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.081 1.565 -10.306 1.00 0.00 H new ATOM 1497 N GLY A 94 8.208 3.292 -8.139 1.00 0.00 N ATOM 1498 CA GLY A 94 8.348 3.972 -6.861 1.00 0.00 C ATOM 1499 C GLY A 94 7.032 4.050 -6.110 1.00 0.00 C ATOM 1500 O GLY A 94 6.976 3.810 -4.903 1.00 0.00 O ATOM 0 H GLY A 94 8.406 3.871 -8.955 1.00 0.00 H new ATOM 0 HA2 GLY A 94 9.083 3.448 -6.250 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.731 4.979 -7.026 1.00 0.00 H new ATOM 1504 N MET A 95 5.972 4.391 -6.836 1.00 0.00 N ATOM 1505 CA MET A 95 4.635 4.507 -6.263 1.00 0.00 C ATOM 1506 C MET A 95 3.589 4.226 -7.338 1.00 0.00 C ATOM 1507 O MET A 95 3.670 4.772 -8.439 1.00 0.00 O ATOM 1508 CB MET A 95 4.420 5.910 -5.698 1.00 0.00 C ATOM 1509 CG MET A 95 3.207 6.017 -4.792 1.00 0.00 C ATOM 1510 SD MET A 95 3.615 5.759 -3.059 1.00 0.00 S ATOM 1511 CE MET A 95 4.153 4.053 -3.096 1.00 0.00 C ATOM 0 H MET A 95 6.015 4.594 -7.835 1.00 0.00 H new ATOM 0 HA MET A 95 4.535 3.781 -5.456 1.00 0.00 H new ATOM 0 HB2 MET A 95 5.308 6.209 -5.141 1.00 0.00 H new ATOM 0 HB3 MET A 95 4.310 6.613 -6.524 1.00 0.00 H new ATOM 0 HG2 MET A 95 2.754 7.001 -4.912 1.00 0.00 H new ATOM 0 HG3 MET A 95 2.462 5.283 -5.100 1.00 0.00 H new ATOM 0 HE1 MET A 95 4.067 3.623 -2.098 1.00 0.00 H new ATOM 0 HE2 MET A 95 3.528 3.489 -3.789 1.00 0.00 H new ATOM 0 HE3 MET A 95 5.192 4.006 -3.423 1.00 0.00 H new ATOM 1521 N ARG A 96 2.610 3.379 -7.033 1.00 0.00 N ATOM 1522 CA ARG A 96 1.573 3.055 -8.005 1.00 0.00 C ATOM 1523 C ARG A 96 0.285 2.625 -7.322 1.00 0.00 C ATOM 1524 O ARG A 96 0.182 1.507 -6.828 1.00 0.00 O ATOM 1525 CB ARG A 96 2.061 1.944 -8.925 1.00 0.00 C ATOM 1526 CG ARG A 96 1.622 2.103 -10.369 1.00 0.00 C ATOM 1527 CD ARG A 96 0.236 1.525 -10.603 1.00 0.00 C ATOM 1528 NE ARG A 96 -0.200 1.697 -11.986 1.00 0.00 N ATOM 1529 CZ ARG A 96 -1.296 1.137 -12.492 1.00 0.00 C ATOM 1530 NH1 ARG A 96 -2.067 0.374 -11.731 1.00 0.00 N ATOM 1531 NH2 ARG A 96 -1.617 1.340 -13.763 1.00 0.00 N ATOM 0 H ARG A 96 2.514 2.910 -6.132 1.00 0.00 H new ATOM 0 HA ARG A 96 1.363 3.953 -8.587 1.00 0.00 H new ATOM 0 HB2 ARG A 96 3.150 1.908 -8.889 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.697 0.988 -8.548 1.00 0.00 H new ATOM 0 HG2 ARG A 96 1.625 3.160 -10.636 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.338 1.607 -11.024 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.238 0.464 -10.352 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -0.477 2.009 -9.935 1.00 0.00 H new ATOM 0 HE ARG A 96 0.369 2.280 -12.600 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -1.821 0.214 -10.754 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.906 -0.054 -12.122 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -1.024 1.925 -14.352 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -2.457 0.911 -14.152 1.00 0.00 H new ATOM 1545 N ILE A 97 -0.700 3.512 -7.312 1.00 0.00 N ATOM 1546 CA ILE A 97 -1.981 3.221 -6.705 1.00 0.00 C ATOM 1547 C ILE A 97 -2.717 2.126 -7.470 1.00 0.00 C ATOM 1548 O ILE A 97 -2.429 1.868 -8.638 1.00 0.00 O ATOM 1549 CB ILE A 97 -2.839 4.496 -6.652 1.00 0.00 C ATOM 1550 CG1 ILE A 97 -3.925 4.378 -5.582 1.00 0.00 C ATOM 1551 CG2 ILE A 97 -3.428 4.802 -8.018 1.00 0.00 C ATOM 1552 CD1 ILE A 97 -5.268 3.893 -6.079 1.00 0.00 C ATOM 0 H ILE A 97 -0.631 4.444 -7.721 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.803 2.864 -5.691 1.00 0.00 H new ATOM 0 HB ILE A 97 -2.198 5.333 -6.374 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -3.575 3.697 -4.806 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -4.059 5.353 -5.114 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -4.032 5.708 -7.959 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -2.622 4.949 -8.737 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -4.054 3.969 -8.339 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.968 3.844 -5.245 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.648 4.583 -6.832 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.157 2.902 -6.519 1.00 0.00 H new ATOM 1564 N LEU A 98 -3.663 1.488 -6.799 1.00 0.00 N ATOM 1565 CA LEU A 98 -4.448 0.432 -7.402 1.00 0.00 C ATOM 1566 C LEU A 98 -5.933 0.688 -7.226 1.00 0.00 C ATOM 1567 O LEU A 98 -6.539 0.236 -6.256 1.00 0.00 O ATOM 1568 CB LEU A 98 -4.099 -0.935 -6.812 1.00 0.00 C ATOM 1569 CG LEU A 98 -4.432 -2.093 -7.742 1.00 0.00 C ATOM 1570 CD1 LEU A 98 -3.549 -2.009 -8.969 1.00 0.00 C ATOM 1571 CD2 LEU A 98 -4.287 -3.438 -7.048 1.00 0.00 C ATOM 0 H LEU A 98 -3.904 1.688 -5.828 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.207 0.427 -8.465 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.035 -0.961 -6.577 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -4.636 -1.066 -5.873 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.477 -2.013 -8.041 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.781 -2.835 -9.641 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.727 -1.063 -9.481 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.503 -2.068 -8.669 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.534 -4.237 -7.747 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.260 -3.561 -6.704 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.963 -3.482 -6.194 1.00 0.00 H new ATOM 1583 N ASP A 99 -6.508 1.429 -8.162 1.00 0.00 N ATOM 1584 CA ASP A 99 -7.923 1.732 -8.136 1.00 0.00 C ATOM 1585 C ASP A 99 -8.731 0.442 -8.210 1.00 0.00 C ATOM 1586 O ASP A 99 -9.166 0.031 -9.286 1.00 0.00 O ATOM 1587 CB ASP A 99 -8.269 2.643 -9.310 1.00 0.00 C ATOM 1588 CG ASP A 99 -7.053 3.025 -10.135 1.00 0.00 C ATOM 1589 OD1 ASP A 99 -6.556 2.165 -10.892 1.00 0.00 O ATOM 1590 OD2 ASP A 99 -6.600 4.183 -10.022 1.00 0.00 O ATOM 0 H ASP A 99 -6.007 1.833 -8.954 1.00 0.00 H new ATOM 0 HA ASP A 99 -8.169 2.243 -7.205 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -8.995 2.143 -9.951 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -8.746 3.548 -8.934 1.00 0.00 H new ATOM 1595 N LEU A 100 -8.919 -0.198 -7.059 1.00 0.00 N ATOM 1596 CA LEU A 100 -9.655 -1.453 -6.994 1.00 0.00 C ATOM 1597 C LEU A 100 -11.063 -1.294 -7.547 1.00 0.00 C ATOM 1598 O LEU A 100 -11.684 -2.269 -7.970 1.00 0.00 O ATOM 1599 CB LEU A 100 -9.712 -1.976 -5.555 1.00 0.00 C ATOM 1600 CG LEU A 100 -8.361 -2.067 -4.847 1.00 0.00 C ATOM 1601 CD1 LEU A 100 -8.524 -2.638 -3.443 1.00 0.00 C ATOM 1602 CD2 LEU A 100 -7.394 -2.905 -5.667 1.00 0.00 C ATOM 0 H LEU A 100 -8.571 0.134 -6.159 1.00 0.00 H new ATOM 0 HA LEU A 100 -9.124 -2.178 -7.610 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.367 -1.326 -4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.169 -2.966 -5.562 1.00 0.00 H new ATOM 0 HG LEU A 100 -7.949 -1.062 -4.752 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.550 -2.694 -2.958 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.183 -1.992 -2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.957 -3.637 -3.504 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.435 -2.962 -5.152 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.799 -3.909 -5.793 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.253 -2.445 -6.645 1.00 0.00 H new ATOM 1614 N ARG A 101 -11.566 -0.061 -7.535 1.00 0.00 N ATOM 1615 CA ARG A 101 -12.894 0.221 -8.059 1.00 0.00 C ATOM 1616 C ARG A 101 -12.993 -0.270 -9.495 1.00 0.00 C ATOM 1617 O ARG A 101 -14.083 -0.399 -10.054 1.00 0.00 O ATOM 1618 CB ARG A 101 -13.174 1.724 -8.001 1.00 0.00 C ATOM 1619 CG ARG A 101 -13.205 2.280 -6.589 1.00 0.00 C ATOM 1620 CD ARG A 101 -14.560 2.060 -5.935 1.00 0.00 C ATOM 1621 NE ARG A 101 -15.644 2.660 -6.709 1.00 0.00 N ATOM 1622 CZ ARG A 101 -16.813 3.021 -6.189 1.00 0.00 C ATOM 1623 NH1 ARG A 101 -17.051 2.847 -4.896 1.00 0.00 N ATOM 1624 NH2 ARG A 101 -17.747 3.558 -6.963 1.00 0.00 N ATOM 0 H ARG A 101 -11.073 0.754 -7.169 1.00 0.00 H new ATOM 0 HA ARG A 101 -13.634 -0.298 -7.450 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -12.410 2.250 -8.573 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -14.130 1.926 -8.484 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -12.429 1.802 -5.991 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -12.979 3.346 -6.611 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -14.741 0.991 -5.826 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -14.552 2.486 -4.932 1.00 0.00 H new ATOM 0 HE ARG A 101 -15.495 2.811 -7.707 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -16.336 2.435 -4.297 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -17.949 3.125 -4.501 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -17.569 3.694 -7.958 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -18.644 3.835 -6.563 1.00 0.00 H new ATOM 1638 N LEU A 102 -11.831 -0.540 -10.082 1.00 0.00 N ATOM 1639 CA LEU A 102 -11.746 -1.019 -11.448 1.00 0.00 C ATOM 1640 C LEU A 102 -11.594 -2.537 -11.492 1.00 0.00 C ATOM 1641 O LEU A 102 -12.250 -3.207 -12.289 1.00 0.00 O ATOM 1642 CB LEU A 102 -10.562 -0.356 -12.142 1.00 0.00 C ATOM 1643 CG LEU A 102 -10.534 1.170 -12.036 1.00 0.00 C ATOM 1644 CD1 LEU A 102 -9.197 1.711 -12.504 1.00 0.00 C ATOM 1645 CD2 LEU A 102 -11.670 1.787 -12.835 1.00 0.00 C ATOM 0 H LEU A 102 -10.927 -0.432 -9.622 1.00 0.00 H new ATOM 0 HA LEU A 102 -12.670 -0.760 -11.965 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -9.640 -0.753 -11.718 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.574 -0.634 -13.196 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.668 1.442 -10.989 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -9.195 2.798 -12.422 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.401 1.299 -11.884 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.033 1.426 -13.543 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -11.630 2.873 -12.745 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -11.572 1.506 -13.884 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -12.624 1.426 -12.450 1.00 0.00 H new ATOM 1657 N PHE A 103 -10.726 -3.079 -10.635 1.00 0.00 N ATOM 1658 CA PHE A 103 -10.502 -4.522 -10.605 1.00 0.00 C ATOM 1659 C PHE A 103 -11.318 -5.188 -9.502 1.00 0.00 C ATOM 1660 O PHE A 103 -12.363 -4.683 -9.090 1.00 0.00 O ATOM 1661 CB PHE A 103 -9.015 -4.831 -10.406 1.00 0.00 C ATOM 1662 CG PHE A 103 -8.114 -3.686 -10.741 1.00 0.00 C ATOM 1663 CD1 PHE A 103 -7.726 -3.443 -12.048 1.00 0.00 C ATOM 1664 CD2 PHE A 103 -7.660 -2.850 -9.742 1.00 0.00 C ATOM 1665 CE1 PHE A 103 -6.894 -2.382 -12.348 1.00 0.00 C ATOM 1666 CE2 PHE A 103 -6.831 -1.793 -10.032 1.00 0.00 C ATOM 1667 CZ PHE A 103 -6.444 -1.556 -11.337 1.00 0.00 C ATOM 0 H PHE A 103 -10.174 -2.547 -9.962 1.00 0.00 H new ATOM 0 HA PHE A 103 -10.827 -4.925 -11.564 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -8.849 -5.121 -9.369 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -8.745 -5.687 -11.024 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -8.077 -4.089 -12.839 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -7.960 -3.028 -8.720 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -6.596 -2.199 -13.370 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -6.482 -1.147 -9.240 1.00 0.00 H new ATOM 0 HZ PHE A 103 -5.791 -0.727 -11.566 1.00 0.00 H new ATOM 1677 N GLU A 104 -10.824 -6.327 -9.034 1.00 0.00 N ATOM 1678 CA GLU A 104 -11.481 -7.092 -7.987 1.00 0.00 C ATOM 1679 C GLU A 104 -10.443 -7.776 -7.120 1.00 0.00 C ATOM 1680 O GLU A 104 -9.289 -7.366 -7.080 1.00 0.00 O ATOM 1681 CB GLU A 104 -12.416 -8.143 -8.590 1.00 0.00 C ATOM 1682 CG GLU A 104 -12.338 -8.240 -10.105 1.00 0.00 C ATOM 1683 CD GLU A 104 -13.330 -9.234 -10.678 1.00 0.00 C ATOM 1684 OE1 GLU A 104 -14.472 -8.828 -10.975 1.00 0.00 O ATOM 1685 OE2 GLU A 104 -12.964 -10.419 -10.829 1.00 0.00 O ATOM 0 H GLU A 104 -9.957 -6.745 -9.371 1.00 0.00 H new ATOM 0 HA GLU A 104 -12.071 -6.406 -7.379 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -12.178 -9.116 -8.161 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.441 -7.910 -8.303 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.523 -7.257 -10.538 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.329 -8.531 -10.395 1.00 0.00 H new ATOM 1692 N THR A 105 -10.862 -8.808 -6.415 1.00 0.00 N ATOM 1693 CA THR A 105 -9.954 -9.556 -5.571 1.00 0.00 C ATOM 1694 C THR A 105 -8.833 -10.175 -6.404 1.00 0.00 C ATOM 1695 O THR A 105 -7.654 -9.906 -6.178 1.00 0.00 O ATOM 1696 CB THR A 105 -10.702 -10.669 -4.814 1.00 0.00 C ATOM 1697 OG1 THR A 105 -11.451 -10.108 -3.729 1.00 0.00 O ATOM 1698 CG2 THR A 105 -9.736 -11.717 -4.289 1.00 0.00 C ATOM 0 H THR A 105 -11.824 -9.147 -6.410 1.00 0.00 H new ATOM 0 HA THR A 105 -9.524 -8.862 -4.849 1.00 0.00 H new ATOM 0 HB THR A 105 -11.385 -11.153 -5.512 1.00 0.00 H new ATOM 0 HG1 THR A 105 -11.021 -9.280 -3.428 1.00 0.00 H new ATOM 0 HG21 THR A 105 -10.291 -12.491 -3.759 1.00 0.00 H new ATOM 0 HG22 THR A 105 -9.196 -12.165 -5.123 1.00 0.00 H new ATOM 0 HG23 THR A 105 -9.026 -11.248 -3.607 1.00 0.00 H new ATOM 1706 N ASP A 106 -9.211 -10.998 -7.376 1.00 0.00 N ATOM 1707 CA ASP A 106 -8.240 -11.655 -8.241 1.00 0.00 C ATOM 1708 C ASP A 106 -7.758 -10.706 -9.328 1.00 0.00 C ATOM 1709 O ASP A 106 -6.665 -10.868 -9.869 1.00 0.00 O ATOM 1710 CB ASP A 106 -8.852 -12.904 -8.875 1.00 0.00 C ATOM 1711 CG ASP A 106 -7.883 -13.622 -9.793 1.00 0.00 C ATOM 1712 OD1 ASP A 106 -7.810 -13.252 -10.984 1.00 0.00 O ATOM 1713 OD2 ASP A 106 -7.196 -14.552 -9.322 1.00 0.00 O ATOM 0 H ASP A 106 -10.183 -11.226 -7.584 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.386 -11.948 -7.631 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -9.175 -13.586 -8.088 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -9.741 -12.623 -9.439 1.00 0.00 H new ATOM 1718 N GLY A 107 -8.580 -9.715 -9.640 1.00 0.00 N ATOM 1719 CA GLY A 107 -8.223 -8.746 -10.663 1.00 0.00 C ATOM 1720 C GLY A 107 -7.140 -7.797 -10.195 1.00 0.00 C ATOM 1721 O GLY A 107 -6.153 -7.570 -10.896 1.00 0.00 O ATOM 0 H GLY A 107 -9.489 -9.562 -9.204 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -7.884 -9.271 -11.556 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.108 -8.175 -10.945 1.00 0.00 H new ATOM 1725 N ALA A 108 -7.329 -7.243 -9.005 1.00 0.00 N ATOM 1726 CA ALA A 108 -6.371 -6.316 -8.418 1.00 0.00 C ATOM 1727 C ALA A 108 -5.061 -7.020 -8.099 1.00 0.00 C ATOM 1728 O ALA A 108 -3.993 -6.558 -8.485 1.00 0.00 O ATOM 1729 CB ALA A 108 -6.955 -5.694 -7.164 1.00 0.00 C ATOM 0 H ALA A 108 -8.146 -7.422 -8.422 1.00 0.00 H new ATOM 0 HA ALA A 108 -6.164 -5.528 -9.142 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -6.233 -5.002 -6.731 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -7.868 -5.155 -7.417 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -7.185 -6.478 -6.442 1.00 0.00 H new ATOM 1735 N LEU A 109 -5.145 -8.133 -7.381 1.00 0.00 N ATOM 1736 CA LEU A 109 -3.957 -8.893 -7.034 1.00 0.00 C ATOM 1737 C LEU A 109 -3.144 -9.154 -8.291 1.00 0.00 C ATOM 1738 O LEU A 109 -1.921 -9.019 -8.300 1.00 0.00 O ATOM 1739 CB LEU A 109 -4.368 -10.206 -6.382 1.00 0.00 C ATOM 1740 CG LEU A 109 -3.454 -10.717 -5.262 1.00 0.00 C ATOM 1741 CD1 LEU A 109 -3.103 -9.602 -4.284 1.00 0.00 C ATOM 1742 CD2 LEU A 109 -4.124 -11.863 -4.523 1.00 0.00 C ATOM 0 H LEU A 109 -6.019 -8.525 -7.031 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.346 -8.329 -6.329 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.373 -10.089 -5.978 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.423 -10.971 -7.156 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.530 -11.073 -5.717 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -2.454 -9.995 -3.501 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.588 -8.801 -4.815 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.016 -9.211 -3.835 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.466 -12.218 -3.730 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -5.062 -11.517 -4.089 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.325 -12.677 -5.220 1.00 0.00 H new ATOM 1754 N GLU A 110 -3.852 -9.522 -9.352 1.00 0.00 N ATOM 1755 CA GLU A 110 -3.223 -9.779 -10.641 1.00 0.00 C ATOM 1756 C GLU A 110 -2.470 -8.543 -11.119 1.00 0.00 C ATOM 1757 O GLU A 110 -1.383 -8.651 -11.684 1.00 0.00 O ATOM 1758 CB GLU A 110 -4.267 -10.190 -11.676 1.00 0.00 C ATOM 1759 CG GLU A 110 -4.518 -11.689 -11.730 1.00 0.00 C ATOM 1760 CD GLU A 110 -3.292 -12.470 -12.160 1.00 0.00 C ATOM 1761 OE1 GLU A 110 -3.080 -12.616 -13.382 1.00 0.00 O ATOM 1762 OE2 GLU A 110 -2.545 -12.937 -11.275 1.00 0.00 O ATOM 0 H GLU A 110 -4.864 -9.649 -9.345 1.00 0.00 H new ATOM 0 HA GLU A 110 -2.514 -10.598 -10.519 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -5.205 -9.681 -11.454 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -3.944 -9.849 -12.660 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -4.839 -12.036 -10.748 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -5.335 -11.892 -12.422 1.00 0.00 H new ATOM 1769 N GLU A 111 -3.060 -7.370 -10.892 1.00 0.00 N ATOM 1770 CA GLU A 111 -2.435 -6.109 -11.283 1.00 0.00 C ATOM 1771 C GLU A 111 -1.016 -6.040 -10.743 1.00 0.00 C ATOM 1772 O GLU A 111 -0.054 -5.896 -11.500 1.00 0.00 O ATOM 1773 CB GLU A 111 -3.241 -4.925 -10.754 1.00 0.00 C ATOM 1774 CG GLU A 111 -4.522 -4.665 -11.517 1.00 0.00 C ATOM 1775 CD GLU A 111 -4.273 -4.306 -12.970 1.00 0.00 C ATOM 1776 OE1 GLU A 111 -3.946 -3.131 -13.242 1.00 0.00 O ATOM 1777 OE2 GLU A 111 -4.405 -5.198 -13.833 1.00 0.00 O ATOM 0 H GLU A 111 -3.969 -7.268 -10.440 1.00 0.00 H new ATOM 0 HA GLU A 111 -2.410 -6.061 -12.372 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.483 -5.102 -9.706 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -2.620 -4.030 -10.790 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.155 -5.551 -11.469 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.070 -3.855 -11.035 1.00 0.00 H new ATOM 1784 N ILE A 112 -0.902 -6.146 -9.424 1.00 0.00 N ATOM 1785 CA ILE A 112 0.399 -6.121 -8.765 1.00 0.00 C ATOM 1786 C ILE A 112 1.377 -7.033 -9.493 1.00 0.00 C ATOM 1787 O ILE A 112 2.420 -6.588 -9.964 1.00 0.00 O ATOM 1788 CB ILE A 112 0.292 -6.576 -7.293 1.00 0.00 C ATOM 1789 CG1 ILE A 112 -0.585 -5.608 -6.501 1.00 0.00 C ATOM 1790 CG2 ILE A 112 1.674 -6.697 -6.654 1.00 0.00 C ATOM 1791 CD1 ILE A 112 -1.968 -6.145 -6.223 1.00 0.00 C ATOM 0 H ILE A 112 -1.694 -6.250 -8.790 1.00 0.00 H new ATOM 0 HA ILE A 112 0.759 -5.093 -8.791 1.00 0.00 H new ATOM 0 HB ILE A 112 -0.172 -7.562 -7.274 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -0.096 -5.377 -5.555 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -0.671 -4.672 -7.053 1.00 0.00 H new ATOM 0 HG21 ILE A 112 1.569 -7.019 -5.618 1.00 0.00 H new ATOM 0 HG22 ILE A 112 2.266 -7.429 -7.203 1.00 0.00 H new ATOM 0 HG23 ILE A 112 2.175 -5.729 -6.684 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -2.538 -5.408 -5.657 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -2.475 -6.350 -7.166 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -1.891 -7.066 -5.645 1.00 0.00 H new ATOM 1803 N LEU A 113 1.012 -8.304 -9.607 1.00 0.00 N ATOM 1804 CA LEU A 113 1.841 -9.294 -10.273 1.00 0.00 C ATOM 1805 C LEU A 113 2.269 -8.823 -11.661 1.00 0.00 C ATOM 1806 O LEU A 113 3.406 -9.037 -12.082 1.00 0.00 O ATOM 1807 CB LEU A 113 1.056 -10.596 -10.394 1.00 0.00 C ATOM 1808 CG LEU A 113 0.768 -11.359 -9.091 1.00 0.00 C ATOM 1809 CD1 LEU A 113 1.172 -10.564 -7.856 1.00 0.00 C ATOM 1810 CD2 LEU A 113 -0.696 -11.724 -9.038 1.00 0.00 C ATOM 0 H LEU A 113 0.135 -8.674 -9.241 1.00 0.00 H new ATOM 0 HA LEU A 113 2.742 -9.446 -9.680 1.00 0.00 H new ATOM 0 HB2 LEU A 113 0.103 -10.374 -10.875 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.603 -11.261 -11.062 1.00 0.00 H new ATOM 0 HG LEU A 113 1.372 -12.266 -9.089 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.949 -11.144 -6.961 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.240 -10.351 -7.894 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.616 -9.627 -7.829 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.903 -12.265 -8.115 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -1.299 -10.816 -9.069 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -0.945 -12.354 -9.892 1.00 0.00 H new ATOM 2019 N ARG A 127 4.796 -11.419 4.806 1.00 0.00 N ATOM 2020 CA ARG A 127 4.062 -10.475 5.650 1.00 0.00 C ATOM 2021 C ARG A 127 3.359 -9.402 4.826 1.00 0.00 C ATOM 2022 O ARG A 127 2.281 -8.934 5.194 1.00 0.00 O ATOM 2023 CB ARG A 127 5.013 -9.806 6.644 1.00 0.00 C ATOM 2024 CG ARG A 127 5.610 -10.760 7.664 1.00 0.00 C ATOM 2025 CD ARG A 127 4.549 -11.302 8.607 1.00 0.00 C ATOM 2026 NE ARG A 127 5.109 -12.250 9.567 1.00 0.00 N ATOM 2027 CZ ARG A 127 4.426 -12.760 10.588 1.00 0.00 C ATOM 2028 NH1 ARG A 127 3.160 -12.415 10.784 1.00 0.00 N ATOM 2029 NH2 ARG A 127 5.010 -13.617 11.415 1.00 0.00 N ATOM 0 HA ARG A 127 3.303 -11.044 6.186 1.00 0.00 H new ATOM 0 HB2 ARG A 127 5.822 -9.328 6.092 1.00 0.00 H new ATOM 0 HB3 ARG A 127 4.476 -9.017 7.170 1.00 0.00 H new ATOM 0 HG2 ARG A 127 6.097 -11.588 7.148 1.00 0.00 H new ATOM 0 HG3 ARG A 127 6.380 -10.245 8.238 1.00 0.00 H new ATOM 0 HD2 ARG A 127 4.082 -10.475 9.143 1.00 0.00 H new ATOM 0 HD3 ARG A 127 3.765 -11.791 8.029 1.00 0.00 H new ATOM 0 HE ARG A 127 6.080 -12.538 9.447 1.00 0.00 H new ATOM 0 HH11 ARG A 127 2.707 -11.756 10.150 1.00 0.00 H new ATOM 0 HH12 ARG A 127 2.640 -12.808 11.568 1.00 0.00 H new ATOM 0 HH21 ARG A 127 5.983 -13.885 11.268 1.00 0.00 H new ATOM 0 HH22 ARG A 127 4.486 -14.008 12.198 1.00 0.00 H new ATOM 2043 N MET A 128 3.972 -9.011 3.715 1.00 0.00 N ATOM 2044 CA MET A 128 3.404 -7.982 2.856 1.00 0.00 C ATOM 2045 C MET A 128 2.192 -8.505 2.101 1.00 0.00 C ATOM 2046 O MET A 128 1.164 -7.836 2.024 1.00 0.00 O ATOM 2047 CB MET A 128 4.472 -7.458 1.882 1.00 0.00 C ATOM 2048 CG MET A 128 3.953 -7.097 0.494 1.00 0.00 C ATOM 2049 SD MET A 128 4.949 -7.815 -0.824 1.00 0.00 S ATOM 2050 CE MET A 128 3.676 -8.157 -2.033 1.00 0.00 C ATOM 0 H MET A 128 4.861 -9.391 3.389 1.00 0.00 H new ATOM 0 HA MET A 128 3.069 -7.156 3.484 1.00 0.00 H new ATOM 0 HB2 MET A 128 4.941 -6.576 2.319 1.00 0.00 H new ATOM 0 HB3 MET A 128 5.250 -8.214 1.778 1.00 0.00 H new ATOM 0 HG2 MET A 128 2.923 -7.440 0.394 1.00 0.00 H new ATOM 0 HG3 MET A 128 3.940 -6.013 0.385 1.00 0.00 H new ATOM 0 HE1 MET A 128 4.126 -8.607 -2.918 1.00 0.00 H new ATOM 0 HE2 MET A 128 2.945 -8.845 -1.607 1.00 0.00 H new ATOM 0 HE3 MET A 128 3.180 -7.227 -2.312 1.00 0.00 H new ATOM 2060 N PHE A 129 2.318 -9.696 1.543 1.00 0.00 N ATOM 2061 CA PHE A 129 1.232 -10.296 0.783 1.00 0.00 C ATOM 2062 C PHE A 129 0.046 -10.620 1.683 1.00 0.00 C ATOM 2063 O PHE A 129 -1.098 -10.621 1.234 1.00 0.00 O ATOM 2064 CB PHE A 129 1.716 -11.554 0.063 1.00 0.00 C ATOM 2065 CG PHE A 129 0.695 -12.129 -0.877 1.00 0.00 C ATOM 2066 CD1 PHE A 129 0.345 -11.449 -2.032 1.00 0.00 C ATOM 2067 CD2 PHE A 129 0.087 -13.345 -0.608 1.00 0.00 C ATOM 2068 CE1 PHE A 129 -0.593 -11.969 -2.902 1.00 0.00 C ATOM 2069 CE2 PHE A 129 -0.852 -13.872 -1.475 1.00 0.00 C ATOM 2070 CZ PHE A 129 -1.192 -13.183 -2.624 1.00 0.00 C ATOM 0 H PHE A 129 3.161 -10.268 1.601 1.00 0.00 H new ATOM 0 HA PHE A 129 0.901 -9.572 0.038 1.00 0.00 H new ATOM 0 HB2 PHE A 129 2.622 -11.319 -0.495 1.00 0.00 H new ATOM 0 HB3 PHE A 129 1.984 -12.308 0.803 1.00 0.00 H new ATOM 0 HD1 PHE A 129 0.811 -10.501 -2.255 1.00 0.00 H new ATOM 0 HD2 PHE A 129 0.350 -13.887 0.289 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -0.858 -11.428 -3.798 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -1.319 -14.821 -1.255 1.00 0.00 H new ATOM 0 HZ PHE A 129 -1.925 -13.593 -3.303 1.00 0.00 H new ATOM 2080 N ARG A 130 0.322 -10.901 2.954 1.00 0.00 N ATOM 2081 CA ARG A 130 -0.736 -11.204 3.910 1.00 0.00 C ATOM 2082 C ARG A 130 -1.733 -10.056 3.957 1.00 0.00 C ATOM 2083 O ARG A 130 -2.945 -10.265 3.987 1.00 0.00 O ATOM 2084 CB ARG A 130 -0.142 -11.432 5.299 1.00 0.00 C ATOM 2085 CG ARG A 130 0.867 -12.565 5.354 1.00 0.00 C ATOM 2086 CD ARG A 130 0.186 -13.913 5.524 1.00 0.00 C ATOM 2087 NE ARG A 130 1.136 -14.962 5.884 1.00 0.00 N ATOM 2088 CZ ARG A 130 0.865 -15.942 6.742 1.00 0.00 C ATOM 2089 NH1 ARG A 130 -0.327 -16.011 7.320 1.00 0.00 N ATOM 2090 NH2 ARG A 130 1.786 -16.855 7.023 1.00 0.00 N ATOM 0 H ARG A 130 1.265 -10.925 3.343 1.00 0.00 H new ATOM 0 HA ARG A 130 -1.249 -12.112 3.593 1.00 0.00 H new ATOM 0 HB2 ARG A 130 0.339 -10.513 5.634 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -0.950 -11.643 6.000 1.00 0.00 H new ATOM 0 HG2 ARG A 130 1.460 -12.569 4.440 1.00 0.00 H new ATOM 0 HG3 ARG A 130 1.557 -12.399 6.181 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -0.581 -13.838 6.295 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -0.320 -14.184 4.597 1.00 0.00 H new ATOM 0 HE ARG A 130 2.060 -14.942 5.453 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -1.038 -15.312 7.107 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -0.532 -16.763 7.977 1.00 0.00 H new ATOM 0 HH21 ARG A 130 2.704 -16.806 6.581 1.00 0.00 H new ATOM 0 HH22 ARG A 130 1.576 -17.605 7.681 1.00 0.00 H new ATOM 2104 N LEU A 131 -1.199 -8.840 3.960 1.00 0.00 N ATOM 2105 CA LEU A 131 -2.001 -7.633 3.991 1.00 0.00 C ATOM 2106 C LEU A 131 -2.507 -7.300 2.595 1.00 0.00 C ATOM 2107 O LEU A 131 -3.697 -7.061 2.391 1.00 0.00 O ATOM 2108 CB LEU A 131 -1.146 -6.490 4.516 1.00 0.00 C ATOM 2109 CG LEU A 131 -0.211 -6.869 5.652 1.00 0.00 C ATOM 2110 CD1 LEU A 131 0.963 -5.915 5.716 1.00 0.00 C ATOM 2111 CD2 LEU A 131 -0.961 -6.884 6.971 1.00 0.00 C ATOM 0 H LEU A 131 -0.194 -8.668 3.941 1.00 0.00 H new ATOM 0 HA LEU A 131 -2.861 -7.784 4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -0.553 -6.090 3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.803 -5.689 4.855 1.00 0.00 H new ATOM 0 HG LEU A 131 0.174 -7.871 5.463 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.621 -6.203 6.536 1.00 0.00 H new ATOM 0 HD12 LEU A 131 1.515 -5.954 4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.599 -4.901 5.882 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -0.278 -7.157 7.775 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -1.374 -5.894 7.166 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -1.771 -7.611 6.921 1.00 0.00 H new ATOM 2123 N LEU A 132 -1.578 -7.276 1.646 1.00 0.00 N ATOM 2124 CA LEU A 132 -1.890 -6.984 0.253 1.00 0.00 C ATOM 2125 C LEU A 132 -3.142 -7.727 -0.207 1.00 0.00 C ATOM 2126 O LEU A 132 -4.111 -7.112 -0.655 1.00 0.00 O ATOM 2127 CB LEU A 132 -0.702 -7.367 -0.622 1.00 0.00 C ATOM 2128 CG LEU A 132 -0.694 -6.748 -2.016 1.00 0.00 C ATOM 2129 CD1 LEU A 132 0.234 -5.545 -2.045 1.00 0.00 C ATOM 2130 CD2 LEU A 132 -0.276 -7.780 -3.053 1.00 0.00 C ATOM 0 H LEU A 132 -0.590 -7.458 1.821 1.00 0.00 H new ATOM 0 HA LEU A 132 -2.087 -5.916 0.161 1.00 0.00 H new ATOM 0 HB2 LEU A 132 0.215 -7.078 -0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 132 -0.681 -8.452 -0.724 1.00 0.00 H new ATOM 0 HG LEU A 132 -1.702 -6.413 -2.260 1.00 0.00 H new ATOM 0 HD11 LEU A 132 0.234 -5.109 -3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 132 -0.110 -4.802 -1.325 1.00 0.00 H new ATOM 0 HD13 LEU A 132 1.245 -5.859 -1.787 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -0.275 -7.322 -4.042 1.00 0.00 H new ATOM 0 HD22 LEU A 132 0.725 -8.144 -2.821 1.00 0.00 H new ATOM 0 HD23 LEU A 132 -0.978 -8.614 -3.040 1.00 0.00 H new ATOM 2142 N SER A 133 -3.118 -9.049 -0.090 1.00 0.00 N ATOM 2143 CA SER A 133 -4.249 -9.878 -0.493 1.00 0.00 C ATOM 2144 C SER A 133 -5.424 -9.709 0.457 1.00 0.00 C ATOM 2145 O SER A 133 -6.555 -10.020 0.105 1.00 0.00 O ATOM 2146 CB SER A 133 -3.833 -11.345 -0.566 1.00 0.00 C ATOM 2147 OG SER A 133 -3.419 -11.825 0.700 1.00 0.00 O ATOM 0 H SER A 133 -2.325 -9.572 0.282 1.00 0.00 H new ATOM 0 HA SER A 133 -4.568 -9.551 -1.483 1.00 0.00 H new ATOM 0 HB2 SER A 133 -4.668 -11.944 -0.930 1.00 0.00 H new ATOM 0 HB3 SER A 133 -3.021 -11.460 -1.284 1.00 0.00 H new ATOM 0 HG SER A 133 -2.473 -11.608 0.839 1.00 0.00 H new ATOM 2153 N ALA A 134 -5.155 -9.227 1.663 1.00 0.00 N ATOM 2154 CA ALA A 134 -6.213 -9.014 2.645 1.00 0.00 C ATOM 2155 C ALA A 134 -7.061 -7.801 2.279 1.00 0.00 C ATOM 2156 O ALA A 134 -8.240 -7.731 2.620 1.00 0.00 O ATOM 2157 CB ALA A 134 -5.624 -8.859 4.035 1.00 0.00 C ATOM 0 H ALA A 134 -4.220 -8.977 1.985 1.00 0.00 H new ATOM 0 HA ALA A 134 -6.862 -9.890 2.642 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -6.427 -8.701 4.755 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -5.072 -9.761 4.299 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -4.949 -8.003 4.051 1.00 0.00 H new ATOM 2163 N PHE A 135 -6.451 -6.834 1.602 1.00 0.00 N ATOM 2164 CA PHE A 135 -7.170 -5.641 1.170 1.00 0.00 C ATOM 2165 C PHE A 135 -7.865 -5.934 -0.147 1.00 0.00 C ATOM 2166 O PHE A 135 -8.931 -5.403 -0.448 1.00 0.00 O ATOM 2167 CB PHE A 135 -6.211 -4.462 1.002 1.00 0.00 C ATOM 2168 CG PHE A 135 -6.890 -3.135 0.850 1.00 0.00 C ATOM 2169 CD1 PHE A 135 -7.342 -2.437 1.959 1.00 0.00 C ATOM 2170 CD2 PHE A 135 -7.045 -2.569 -0.401 1.00 0.00 C ATOM 2171 CE1 PHE A 135 -7.943 -1.202 1.817 1.00 0.00 C ATOM 2172 CE2 PHE A 135 -7.637 -1.335 -0.551 1.00 0.00 C ATOM 2173 CZ PHE A 135 -8.088 -0.648 0.558 1.00 0.00 C ATOM 0 H PHE A 135 -5.465 -6.852 1.342 1.00 0.00 H new ATOM 0 HA PHE A 135 -7.907 -5.374 1.928 1.00 0.00 H new ATOM 0 HB2 PHE A 135 -5.548 -4.421 1.866 1.00 0.00 H new ATOM 0 HB3 PHE A 135 -5.585 -4.639 0.128 1.00 0.00 H new ATOM 0 HD1 PHE A 135 -7.223 -2.863 2.944 1.00 0.00 H new ATOM 0 HD2 PHE A 135 -6.697 -3.102 -1.273 1.00 0.00 H new ATOM 0 HE1 PHE A 135 -8.299 -0.670 2.687 1.00 0.00 H new ATOM 0 HE2 PHE A 135 -7.748 -0.905 -1.535 1.00 0.00 H new ATOM 0 HZ PHE A 135 -8.553 0.320 0.443 1.00 0.00 H new ATOM 2183 N ILE A 136 -7.234 -6.795 -0.926 1.00 0.00 N ATOM 2184 CA ILE A 136 -7.756 -7.209 -2.207 1.00 0.00 C ATOM 2185 C ILE A 136 -8.954 -8.127 -1.984 1.00 0.00 C ATOM 2186 O ILE A 136 -9.921 -8.125 -2.746 1.00 0.00 O ATOM 2187 CB ILE A 136 -6.649 -7.965 -2.984 1.00 0.00 C ATOM 2188 CG1 ILE A 136 -6.198 -7.177 -4.211 1.00 0.00 C ATOM 2189 CG2 ILE A 136 -7.091 -9.366 -3.363 1.00 0.00 C ATOM 2190 CD1 ILE A 136 -4.857 -6.508 -4.015 1.00 0.00 C ATOM 0 H ILE A 136 -6.342 -7.226 -0.683 1.00 0.00 H new ATOM 0 HA ILE A 136 -8.071 -6.339 -2.783 1.00 0.00 H new ATOM 0 HB ILE A 136 -5.792 -8.062 -2.318 1.00 0.00 H new ATOM 0 HG12 ILE A 136 -6.143 -7.848 -5.068 1.00 0.00 H new ATOM 0 HG13 ILE A 136 -6.946 -6.420 -4.446 1.00 0.00 H new ATOM 0 HG21 ILE A 136 -6.289 -9.866 -3.907 1.00 0.00 H new ATOM 0 HG22 ILE A 136 -7.324 -9.931 -2.460 1.00 0.00 H new ATOM 0 HG23 ILE A 136 -7.977 -9.309 -3.995 1.00 0.00 H new ATOM 0 HD11 ILE A 136 -4.587 -5.962 -4.919 1.00 0.00 H new ATOM 0 HD12 ILE A 136 -4.916 -5.814 -3.176 1.00 0.00 H new ATOM 0 HD13 ILE A 136 -4.100 -7.264 -3.808 1.00 0.00 H new ATOM 2202 N ALA A 137 -8.854 -8.903 -0.913 1.00 0.00 N ATOM 2203 CA ALA A 137 -9.871 -9.870 -0.533 1.00 0.00 C ATOM 2204 C ALA A 137 -10.963 -9.266 0.346 1.00 0.00 C ATOM 2205 O ALA A 137 -12.145 -9.303 0.006 1.00 0.00 O ATOM 2206 CB ALA A 137 -9.201 -11.016 0.206 1.00 0.00 C ATOM 0 H ALA A 137 -8.056 -8.877 -0.278 1.00 0.00 H new ATOM 0 HA ALA A 137 -10.355 -10.219 -1.445 1.00 0.00 H new ATOM 0 HB1 ALA A 137 -9.952 -11.750 0.497 1.00 0.00 H new ATOM 0 HB2 ALA A 137 -8.466 -11.489 -0.445 1.00 0.00 H new ATOM 0 HB3 ALA A 137 -8.703 -10.633 1.097 1.00 0.00 H new ATOM 2212 N ASP A 138 -10.546 -8.709 1.476 1.00 0.00 N ATOM 2213 CA ASP A 138 -11.471 -8.141 2.449 1.00 0.00 C ATOM 2214 C ASP A 138 -11.583 -6.624 2.353 1.00 0.00 C ATOM 2215 O ASP A 138 -12.572 -6.043 2.799 1.00 0.00 O ATOM 2216 CB ASP A 138 -11.021 -8.535 3.849 1.00 0.00 C ATOM 2217 CG ASP A 138 -11.298 -9.994 4.156 1.00 0.00 C ATOM 2218 OD1 ASP A 138 -10.444 -10.842 3.823 1.00 0.00 O ATOM 2219 OD2 ASP A 138 -12.368 -10.287 4.729 1.00 0.00 O ATOM 0 H ASP A 138 -9.564 -8.638 1.743 1.00 0.00 H new ATOM 0 HA ASP A 138 -12.461 -8.542 2.230 1.00 0.00 H new ATOM 0 HB2 ASP A 138 -9.953 -8.341 3.953 1.00 0.00 H new ATOM 0 HB3 ASP A 138 -11.531 -7.909 4.581 1.00 0.00 H new