USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 751 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 Single : A 8 SER OG : rot -142:sc= 1.28 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -80:sc= 0.0186 USER MOD Single : A 16 MET CE :methyl 150:sc= -0.176 (180deg=-0.978) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -52:sc= 0.0219 USER MOD Single : A 36 ASN : amide:sc= -0.327 K(o=-0.33,f=-1.3) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.00091) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -119:sc= 0.0494 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 128:sc= 0.57 USER MOD Single : A 70 ASN : amide:sc= 0.00207 K(o=0.0021,f=-2.3!) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.00238 USER MOD Single : A 80 LYS NZ :NH3+ -125:sc= 0.199 (180deg=-0.789) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.008 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 102 SER OG : rot -81:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 28 N ARG A 3 7.900 -3.962 7.865 1.00 0.00 N ATOM 29 CA ARG A 3 7.542 -4.129 6.468 1.00 0.00 C ATOM 30 C ARG A 3 6.615 -2.999 6.080 1.00 0.00 C ATOM 31 O ARG A 3 5.855 -2.500 6.906 1.00 0.00 O ATOM 32 CB ARG A 3 6.947 -5.529 6.267 1.00 0.00 C ATOM 33 CG ARG A 3 8.150 -6.462 6.016 1.00 0.00 C ATOM 34 CD ARG A 3 8.140 -7.921 6.501 1.00 0.00 C ATOM 35 NE ARG A 3 7.760 -8.908 5.475 1.00 0.00 N ATOM 36 CZ ARG A 3 7.604 -10.222 5.690 1.00 0.00 C ATOM 37 NH1 ARG A 3 7.736 -10.767 6.893 1.00 0.00 N ATOM 38 NH2 ARG A 3 7.296 -11.042 4.698 1.00 0.00 N ATOM 0 HA ARG A 3 8.408 -4.071 5.808 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.383 -5.845 7.145 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.257 -5.544 5.423 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.315 -6.486 4.939 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.022 -5.984 6.462 1.00 0.00 H new ATOM 0 HD2 ARG A 3 9.132 -8.171 6.877 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.450 -8.006 7.341 1.00 0.00 H new ATOM 0 HE ARG A 3 7.603 -8.565 4.527 1.00 0.00 H new ATOM 0 HH11 ARG A 3 7.964 -10.181 7.696 1.00 0.00 H new ATOM 0 HH12 ARG A 3 7.609 -11.772 7.014 1.00 0.00 H new ATOM 0 HH21 ARG A 3 7.174 -10.677 3.754 1.00 0.00 H new ATOM 0 HH22 ARG A 3 7.181 -12.039 4.878 1.00 0.00 H new ATOM 52 N VAL A 4 6.692 -2.594 4.826 1.00 0.00 N ATOM 53 CA VAL A 4 5.854 -1.585 4.204 1.00 0.00 C ATOM 54 C VAL A 4 5.045 -2.314 3.141 1.00 0.00 C ATOM 55 O VAL A 4 5.371 -3.447 2.772 1.00 0.00 O ATOM 56 CB VAL A 4 6.792 -0.469 3.678 1.00 0.00 C ATOM 57 CG1 VAL A 4 7.310 -0.779 2.282 1.00 0.00 C ATOM 58 CG2 VAL A 4 6.247 0.951 3.656 1.00 0.00 C ATOM 0 H VAL A 4 7.378 -2.981 4.178 1.00 0.00 H new ATOM 0 HA VAL A 4 5.145 -1.090 4.868 1.00 0.00 H new ATOM 0 HB VAL A 4 7.581 -0.481 4.429 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.964 0.027 1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 4 7.869 -1.715 2.301 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.469 -0.872 1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.008 1.627 3.266 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.364 0.992 3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.978 1.253 4.668 1.00 0.00 H new ATOM 68 N ALA A 5 4.016 -1.664 2.614 1.00 0.00 N ATOM 69 CA ALA A 5 3.394 -2.096 1.382 1.00 0.00 C ATOM 70 C ALA A 5 3.397 -0.915 0.416 1.00 0.00 C ATOM 71 O ALA A 5 3.416 0.236 0.852 1.00 0.00 O ATOM 72 CB ALA A 5 1.986 -2.607 1.710 1.00 0.00 C ATOM 0 H ALA A 5 3.597 -0.831 3.028 1.00 0.00 H new ATOM 0 HA ALA A 5 3.932 -2.914 0.903 1.00 0.00 H new ATOM 0 HB1 ALA A 5 1.497 -2.939 0.794 1.00 0.00 H new ATOM 0 HB2 ALA A 5 2.055 -3.442 2.407 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.404 -1.804 2.162 1.00 0.00 H new ATOM 78 N ILE A 6 3.371 -1.194 -0.882 1.00 0.00 N ATOM 79 CA ILE A 6 3.171 -0.251 -1.967 1.00 0.00 C ATOM 80 C ILE A 6 2.216 -0.928 -2.984 1.00 0.00 C ATOM 81 O ILE A 6 2.453 -2.090 -3.343 1.00 0.00 O ATOM 82 CB ILE A 6 4.502 0.171 -2.623 1.00 0.00 C ATOM 83 CG1 ILE A 6 5.637 0.529 -1.643 1.00 0.00 C ATOM 84 CG2 ILE A 6 4.253 1.367 -3.552 1.00 0.00 C ATOM 85 CD1 ILE A 6 6.505 -0.677 -1.248 1.00 0.00 C ATOM 0 H ILE A 6 3.498 -2.147 -1.222 1.00 0.00 H new ATOM 0 HA ILE A 6 2.734 0.673 -1.588 1.00 0.00 H new ATOM 0 HB ILE A 6 4.846 -0.709 -3.166 1.00 0.00 H new ATOM 0 HG12 ILE A 6 6.271 1.291 -2.096 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.205 0.967 -0.743 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.192 1.668 -4.017 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.539 1.084 -4.325 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.851 2.199 -2.974 1.00 0.00 H new ATOM 0 HD11 ILE A 6 7.284 -0.354 -0.557 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.883 -1.431 -0.766 1.00 0.00 H new ATOM 0 HD13 ILE A 6 6.965 -1.102 -2.140 1.00 0.00 H new ATOM 97 N PRO A 7 1.136 -0.256 -3.419 1.00 0.00 N ATOM 98 CA PRO A 7 0.164 -0.676 -4.403 1.00 0.00 C ATOM 99 C PRO A 7 0.703 -0.353 -5.795 1.00 0.00 C ATOM 100 O PRO A 7 0.645 0.791 -6.245 1.00 0.00 O ATOM 101 CB PRO A 7 -1.097 0.130 -4.067 1.00 0.00 C ATOM 102 CG PRO A 7 -0.612 1.389 -3.353 1.00 0.00 C ATOM 103 CD PRO A 7 0.768 1.036 -2.919 1.00 0.00 C ATOM 0 HA PRO A 7 -0.047 -1.745 -4.391 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.651 0.383 -4.971 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.770 -0.445 -3.431 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.615 2.253 -4.018 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.248 1.638 -2.504 1.00 0.00 H new ATOM 0 HD2 PRO A 7 1.472 1.786 -3.279 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.826 1.041 -1.831 1.00 0.00 H new ATOM 111 N SER A 8 1.259 -1.352 -6.460 1.00 0.00 N ATOM 112 CA SER A 8 1.828 -1.247 -7.787 1.00 0.00 C ATOM 113 C SER A 8 0.787 -1.687 -8.826 1.00 0.00 C ATOM 114 O SER A 8 -0.244 -2.299 -8.502 1.00 0.00 O ATOM 115 CB SER A 8 3.055 -2.174 -7.792 1.00 0.00 C ATOM 116 OG SER A 8 3.709 -2.236 -9.039 1.00 0.00 O ATOM 0 H SER A 8 1.327 -2.293 -6.073 1.00 0.00 H new ATOM 0 HA SER A 8 2.118 -0.227 -8.038 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.762 -1.831 -7.037 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.743 -3.178 -7.504 1.00 0.00 H new ATOM 0 HG SER A 8 4.014 -3.153 -9.203 1.00 0.00 H new ATOM 122 N VAL A 9 1.109 -1.450 -10.097 1.00 0.00 N ATOM 123 CA VAL A 9 0.467 -2.078 -11.240 1.00 0.00 C ATOM 124 C VAL A 9 1.499 -2.850 -12.091 1.00 0.00 C ATOM 125 O VAL A 9 1.375 -2.941 -13.317 1.00 0.00 O ATOM 126 CB VAL A 9 -0.353 -1.035 -12.029 1.00 0.00 C ATOM 127 CG1 VAL A 9 -1.419 -0.353 -11.172 1.00 0.00 C ATOM 128 CG2 VAL A 9 0.476 0.107 -12.641 1.00 0.00 C ATOM 0 H VAL A 9 1.846 -0.796 -10.362 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.247 -2.828 -10.900 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.792 -1.639 -12.823 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.965 0.370 -11.778 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.112 -1.102 -10.789 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.941 0.160 -10.337 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.184 0.790 -13.176 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.992 0.648 -11.848 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.209 -0.306 -13.334 1.00 0.00 H new ATOM 138 N GLY A 10 2.468 -3.511 -11.450 1.00 0.00 N ATOM 139 CA GLY A 10 3.308 -4.527 -12.071 1.00 0.00 C ATOM 140 C GLY A 10 4.233 -5.213 -11.073 1.00 0.00 C ATOM 141 O GLY A 10 4.317 -4.803 -9.910 1.00 0.00 O ATOM 0 H GLY A 10 2.690 -3.348 -10.468 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.675 -5.275 -12.547 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.906 -4.067 -12.858 1.00 0.00 H new ATOM 145 N LYS A 11 4.910 -6.274 -11.528 1.00 0.00 N ATOM 146 CA LYS A 11 5.723 -7.145 -10.683 1.00 0.00 C ATOM 147 C LYS A 11 7.171 -6.655 -10.614 1.00 0.00 C ATOM 148 O LYS A 11 8.086 -7.477 -10.551 1.00 0.00 O ATOM 149 CB LYS A 11 5.686 -8.594 -11.235 1.00 0.00 C ATOM 150 CG LYS A 11 4.312 -9.229 -11.303 1.00 0.00 C ATOM 151 CD LYS A 11 4.336 -10.762 -11.456 1.00 0.00 C ATOM 152 CE LYS A 11 3.513 -11.440 -10.350 1.00 0.00 C ATOM 153 NZ LYS A 11 3.655 -12.909 -10.363 1.00 0.00 N ATOM 0 H LYS A 11 4.906 -6.552 -12.509 1.00 0.00 H new ATOM 0 HA LYS A 11 5.308 -7.125 -9.675 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.118 -8.594 -12.236 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.326 -9.219 -10.612 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.760 -8.973 -10.399 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.766 -8.799 -12.142 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.938 -11.040 -12.432 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.365 -11.118 -11.418 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.828 -11.056 -9.380 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.462 -11.178 -10.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.081 -13.320 -9.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.330 -13.281 -11.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.654 -13.163 -10.221 1.00 0.00 H new ATOM 167 N ASP A 12 7.420 -5.349 -10.563 1.00 0.00 N ATOM 168 CA ASP A 12 8.780 -4.820 -10.647 1.00 0.00 C ATOM 169 C ASP A 12 8.937 -3.564 -9.805 1.00 0.00 C ATOM 170 O ASP A 12 7.975 -2.869 -9.476 1.00 0.00 O ATOM 171 CB ASP A 12 9.141 -4.517 -12.115 1.00 0.00 C ATOM 172 CG ASP A 12 10.388 -5.228 -12.638 1.00 0.00 C ATOM 173 OD1 ASP A 12 11.219 -5.737 -11.851 1.00 0.00 O ATOM 174 OD2 ASP A 12 10.558 -5.247 -13.879 1.00 0.00 O ATOM 0 H ASP A 12 6.697 -4.636 -10.464 1.00 0.00 H new ATOM 0 HA ASP A 12 9.460 -5.577 -10.256 1.00 0.00 H new ATOM 0 HB2 ASP A 12 8.295 -4.792 -12.745 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.283 -3.442 -12.223 1.00 0.00 H new ATOM 179 N LEU A 13 10.189 -3.243 -9.491 1.00 0.00 N ATOM 180 CA LEU A 13 10.546 -2.098 -8.650 1.00 0.00 C ATOM 181 C LEU A 13 10.469 -0.776 -9.437 1.00 0.00 C ATOM 182 O LEU A 13 10.422 0.305 -8.854 1.00 0.00 O ATOM 183 CB LEU A 13 11.942 -2.352 -8.052 1.00 0.00 C ATOM 184 CG LEU A 13 12.194 -1.908 -6.600 1.00 0.00 C ATOM 185 CD1 LEU A 13 12.089 -0.395 -6.468 1.00 0.00 C ATOM 186 CD2 LEU A 13 11.302 -2.624 -5.569 1.00 0.00 C ATOM 0 H LEU A 13 10.996 -3.775 -9.816 1.00 0.00 H new ATOM 0 HA LEU A 13 9.829 -1.995 -7.835 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.143 -3.421 -8.115 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.674 -1.852 -8.687 1.00 0.00 H new ATOM 0 HG LEU A 13 13.215 -2.210 -6.365 1.00 0.00 H new ATOM 0 HD11 LEU A 13 12.271 -0.107 -5.433 1.00 0.00 H new ATOM 0 HD12 LEU A 13 12.830 0.079 -7.112 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.091 -0.072 -6.764 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.537 -2.259 -4.569 1.00 0.00 H new ATOM 0 HD22 LEU A 13 10.254 -2.422 -5.792 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.483 -3.698 -5.615 1.00 0.00 H new ATOM 198 N SER A 14 10.359 -0.836 -10.764 1.00 0.00 N ATOM 199 CA SER A 14 10.026 0.321 -11.583 1.00 0.00 C ATOM 200 C SER A 14 8.745 0.014 -12.358 1.00 0.00 C ATOM 201 O SER A 14 8.556 0.498 -13.477 1.00 0.00 O ATOM 202 CB SER A 14 11.206 0.521 -12.531 1.00 0.00 C ATOM 203 OG SER A 14 11.306 1.793 -13.157 1.00 0.00 O ATOM 0 H SER A 14 10.499 -1.693 -11.299 1.00 0.00 H new ATOM 0 HA SER A 14 9.856 1.222 -10.994 1.00 0.00 H new ATOM 0 HB2 SER A 14 12.126 0.341 -11.974 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.151 -0.240 -13.310 1.00 0.00 H new ATOM 0 HG SER A 14 12.095 1.810 -13.738 1.00 0.00 H new ATOM 209 N SER A 15 7.794 -0.695 -11.742 1.00 0.00 N ATOM 210 CA SER A 15 6.429 -0.648 -12.226 1.00 0.00 C ATOM 211 C SER A 15 5.797 0.648 -11.692 1.00 0.00 C ATOM 212 O SER A 15 6.369 1.290 -10.808 1.00 0.00 O ATOM 213 CB SER A 15 5.649 -1.874 -11.747 1.00 0.00 C ATOM 214 OG SER A 15 6.275 -3.083 -12.135 1.00 0.00 O ATOM 0 H SER A 15 7.947 -1.291 -10.929 1.00 0.00 H new ATOM 0 HA SER A 15 6.406 -0.658 -13.316 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.558 -1.845 -10.661 1.00 0.00 H new ATOM 0 HB3 SER A 15 4.638 -1.842 -12.153 1.00 0.00 H new ATOM 0 HG SER A 15 6.057 -3.279 -13.070 1.00 0.00 H new ATOM 220 N MET A 16 4.619 1.050 -12.167 1.00 0.00 N ATOM 221 CA MET A 16 3.981 2.261 -11.650 1.00 0.00 C ATOM 222 C MET A 16 3.299 1.966 -10.313 1.00 0.00 C ATOM 223 O MET A 16 2.771 0.869 -10.120 1.00 0.00 O ATOM 224 CB MET A 16 2.963 2.794 -12.663 1.00 0.00 C ATOM 225 CG MET A 16 3.609 3.776 -13.648 1.00 0.00 C ATOM 226 SD MET A 16 2.609 5.234 -14.050 1.00 0.00 S ATOM 227 CE MET A 16 2.424 5.936 -12.381 1.00 0.00 C ATOM 0 H MET A 16 4.094 0.566 -12.896 1.00 0.00 H new ATOM 0 HA MET A 16 4.745 3.022 -11.491 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.525 1.961 -13.213 1.00 0.00 H new ATOM 0 HB3 MET A 16 2.149 3.290 -12.135 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.560 4.110 -13.232 1.00 0.00 H new ATOM 0 HG3 MET A 16 3.835 3.244 -14.572 1.00 0.00 H new ATOM 0 HE1 MET A 16 2.333 7.020 -12.450 1.00 0.00 H new ATOM 0 HE2 MET A 16 1.530 5.526 -11.911 1.00 0.00 H new ATOM 0 HE3 MET A 16 3.298 5.683 -11.781 1.00 0.00 H new ATOM 237 N VAL A 17 3.295 2.940 -9.397 1.00 0.00 N ATOM 238 CA VAL A 17 2.428 2.919 -8.212 1.00 0.00 C ATOM 239 C VAL A 17 1.029 3.384 -8.642 1.00 0.00 C ATOM 240 O VAL A 17 0.847 3.994 -9.699 1.00 0.00 O ATOM 241 CB VAL A 17 3.068 3.716 -7.042 1.00 0.00 C ATOM 242 CG1 VAL A 17 2.294 3.784 -5.719 1.00 0.00 C ATOM 243 CG2 VAL A 17 4.369 3.025 -6.669 1.00 0.00 C ATOM 0 H VAL A 17 3.892 3.765 -9.455 1.00 0.00 H new ATOM 0 HA VAL A 17 2.317 1.913 -7.807 1.00 0.00 H new ATOM 0 HB VAL A 17 3.134 4.732 -7.432 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.860 4.371 -4.996 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.325 4.253 -5.888 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.147 2.776 -5.332 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.844 3.562 -5.848 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.161 2.000 -6.360 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.036 3.016 -7.531 1.00 0.00 H new ATOM 253 N SER A 18 0.023 3.026 -7.851 1.00 0.00 N ATOM 254 CA SER A 18 -1.385 3.122 -8.206 1.00 0.00 C ATOM 255 C SER A 18 -2.176 3.893 -7.144 1.00 0.00 C ATOM 256 O SER A 18 -1.844 3.806 -5.960 1.00 0.00 O ATOM 257 CB SER A 18 -1.879 1.689 -8.336 1.00 0.00 C ATOM 258 OG SER A 18 -2.920 1.642 -9.295 1.00 0.00 O ATOM 0 H SER A 18 0.172 2.649 -6.915 1.00 0.00 H new ATOM 0 HA SER A 18 -1.523 3.673 -9.136 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.061 1.035 -8.637 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.238 1.327 -7.373 1.00 0.00 H new ATOM 0 HG SER A 18 -3.241 0.720 -9.384 1.00 0.00 H new ATOM 264 N ASP A 19 -3.254 4.607 -7.512 1.00 0.00 N ATOM 265 CA ASP A 19 -3.865 5.579 -6.586 1.00 0.00 C ATOM 266 C ASP A 19 -4.893 4.949 -5.636 1.00 0.00 C ATOM 267 O ASP A 19 -5.789 5.619 -5.109 1.00 0.00 O ATOM 268 CB ASP A 19 -4.716 6.541 -7.460 1.00 0.00 C ATOM 269 CG ASP A 19 -4.318 8.010 -7.389 1.00 0.00 C ATOM 270 OD1 ASP A 19 -4.009 8.492 -6.274 1.00 0.00 O ATOM 271 OD2 ASP A 19 -4.466 8.703 -8.423 1.00 0.00 O ATOM 0 H ASP A 19 -3.712 4.534 -8.421 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.057 6.032 -6.011 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.652 6.214 -8.498 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.760 6.450 -7.160 1.00 0.00 H new ATOM 276 N ARG A 20 -4.704 3.702 -5.225 1.00 0.00 N ATOM 277 CA ARG A 20 -5.765 2.982 -4.525 1.00 0.00 C ATOM 278 C ARG A 20 -5.128 1.790 -3.893 1.00 0.00 C ATOM 279 O ARG A 20 -4.627 0.926 -4.612 1.00 0.00 O ATOM 280 CB ARG A 20 -6.866 2.461 -5.485 1.00 0.00 C ATOM 281 CG ARG A 20 -7.659 3.513 -6.262 1.00 0.00 C ATOM 282 CD ARG A 20 -8.553 2.915 -7.348 1.00 0.00 C ATOM 283 NE ARG A 20 -9.032 4.053 -8.152 1.00 0.00 N ATOM 284 CZ ARG A 20 -9.452 4.079 -9.417 1.00 0.00 C ATOM 285 NH1 ARG A 20 -9.981 3.015 -9.991 1.00 0.00 N ATOM 286 NH2 ARG A 20 -9.332 5.212 -10.098 1.00 0.00 N ATOM 0 H ARG A 20 -3.842 3.173 -5.360 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.234 3.660 -3.812 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.399 1.788 -6.204 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.570 1.866 -4.903 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.276 4.081 -5.565 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.964 4.217 -6.720 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.998 2.208 -7.965 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.388 2.369 -6.909 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.044 4.952 -7.670 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.076 2.146 -9.465 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.295 3.061 -10.960 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.927 6.035 -9.652 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.645 5.260 -11.068 1.00 0.00 H new ATOM 300 N PHE A 21 -5.236 1.702 -2.574 1.00 0.00 N ATOM 301 CA PHE A 21 -4.910 0.480 -1.904 1.00 0.00 C ATOM 302 C PHE A 21 -5.756 -0.683 -2.401 1.00 0.00 C ATOM 303 O PHE A 21 -5.262 -1.585 -3.062 1.00 0.00 O ATOM 304 CB PHE A 21 -5.117 0.655 -0.403 1.00 0.00 C ATOM 305 CG PHE A 21 -4.873 -0.611 0.379 1.00 0.00 C ATOM 306 CD1 PHE A 21 -3.913 -1.529 -0.072 1.00 0.00 C ATOM 307 CD2 PHE A 21 -5.569 -0.864 1.569 1.00 0.00 C ATOM 308 CE1 PHE A 21 -3.483 -2.573 0.726 1.00 0.00 C ATOM 309 CE2 PHE A 21 -5.205 -1.985 2.337 1.00 0.00 C ATOM 310 CZ PHE A 21 -4.128 -2.809 1.951 1.00 0.00 C ATOM 0 H PHE A 21 -5.544 2.460 -1.965 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.867 0.248 -2.119 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.448 1.435 -0.038 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.136 0.997 -0.220 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.501 -1.418 -1.064 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.368 -0.212 1.890 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.661 -3.199 0.411 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.758 -2.218 3.235 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.802 -3.615 2.592 1.00 0.00 H new ATOM 320 N ALA A 22 -7.037 -0.692 -2.032 1.00 0.00 N ATOM 321 CA ALA A 22 -7.846 -1.899 -2.056 1.00 0.00 C ATOM 322 C ALA A 22 -8.213 -2.332 -3.471 1.00 0.00 C ATOM 323 O ALA A 22 -8.963 -3.290 -3.617 1.00 0.00 O ATOM 324 CB ALA A 22 -9.113 -1.675 -1.233 1.00 0.00 C ATOM 0 H ALA A 22 -7.537 0.137 -1.710 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.250 -2.703 -1.624 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.722 -2.579 -1.249 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.842 -1.439 -0.204 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.681 -0.847 -1.658 1.00 0.00 H new ATOM 330 N ARG A 23 -7.744 -1.622 -4.501 1.00 0.00 N ATOM 331 CA ARG A 23 -7.872 -1.962 -5.895 1.00 0.00 C ATOM 332 C ARG A 23 -6.523 -1.772 -6.580 1.00 0.00 C ATOM 333 O ARG A 23 -6.462 -1.132 -7.630 1.00 0.00 O ATOM 334 CB ARG A 23 -8.971 -1.093 -6.497 1.00 0.00 C ATOM 335 CG ARG A 23 -10.305 -1.857 -6.537 1.00 0.00 C ATOM 336 CD ARG A 23 -10.387 -3.136 -7.399 1.00 0.00 C ATOM 337 NE ARG A 23 -10.879 -2.912 -8.772 1.00 0.00 N ATOM 338 CZ ARG A 23 -10.192 -2.467 -9.831 1.00 0.00 C ATOM 339 NH1 ARG A 23 -8.982 -1.960 -9.674 1.00 0.00 N ATOM 340 NH2 ARG A 23 -10.728 -2.475 -11.038 1.00 0.00 N ATOM 0 H ARG A 23 -7.238 -0.747 -4.361 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.156 -3.005 -6.034 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -9.085 -0.182 -5.909 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.690 -0.788 -7.505 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.565 -2.128 -5.514 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -11.073 -1.168 -6.889 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.397 -3.590 -7.450 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.042 -3.853 -6.903 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.864 -3.122 -8.934 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -8.568 -1.907 -8.743 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.462 -1.622 -10.484 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.677 -2.823 -11.172 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.193 -2.133 -11.836 1.00 0.00 H new ATOM 354 N ALA A 24 -5.429 -2.223 -5.973 1.00 0.00 N ATOM 355 CA ALA A 24 -4.176 -2.239 -6.712 1.00 0.00 C ATOM 356 C ALA A 24 -4.096 -3.595 -7.421 1.00 0.00 C ATOM 357 O ALA A 24 -5.071 -4.353 -7.385 1.00 0.00 O ATOM 358 CB ALA A 24 -2.972 -1.934 -5.780 1.00 0.00 C ATOM 0 H ALA A 24 -5.384 -2.568 -5.014 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.137 -1.450 -7.463 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.049 -1.953 -6.360 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.099 -0.948 -5.332 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.921 -2.686 -4.993 1.00 0.00 H new ATOM 364 N GLU A 25 -2.991 -3.915 -8.091 1.00 0.00 N ATOM 365 CA GLU A 25 -2.883 -5.201 -8.789 1.00 0.00 C ATOM 366 C GLU A 25 -1.726 -6.055 -8.277 1.00 0.00 C ATOM 367 O GLU A 25 -1.751 -7.283 -8.361 1.00 0.00 O ATOM 368 CB GLU A 25 -2.722 -4.875 -10.270 1.00 0.00 C ATOM 369 CG GLU A 25 -4.073 -4.627 -10.922 1.00 0.00 C ATOM 370 CD GLU A 25 -3.942 -4.621 -12.444 1.00 0.00 C ATOM 371 OE1 GLU A 25 -3.902 -5.718 -13.059 1.00 0.00 O ATOM 372 OE2 GLU A 25 -3.901 -3.526 -13.044 1.00 0.00 O ATOM 0 H GLU A 25 -2.169 -3.316 -8.167 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.775 -5.801 -8.608 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.091 -3.994 -10.386 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -2.216 -5.698 -10.775 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.778 -5.399 -10.615 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.477 -3.673 -10.583 1.00 0.00 H new ATOM 379 N TYR A 26 -0.705 -5.415 -7.724 1.00 0.00 N ATOM 380 CA TYR A 26 0.503 -6.039 -7.255 1.00 0.00 C ATOM 381 C TYR A 26 0.862 -5.282 -5.996 1.00 0.00 C ATOM 382 O TYR A 26 0.704 -4.060 -5.931 1.00 0.00 O ATOM 383 CB TYR A 26 1.590 -5.923 -8.325 1.00 0.00 C ATOM 384 CG TYR A 26 1.221 -6.545 -9.657 1.00 0.00 C ATOM 385 CD1 TYR A 26 0.531 -5.792 -10.619 1.00 0.00 C ATOM 386 CD2 TYR A 26 1.579 -7.868 -9.941 1.00 0.00 C ATOM 387 CE1 TYR A 26 0.238 -6.329 -11.884 1.00 0.00 C ATOM 388 CE2 TYR A 26 1.337 -8.403 -11.219 1.00 0.00 C ATOM 389 CZ TYR A 26 0.660 -7.638 -12.201 1.00 0.00 C ATOM 390 OH TYR A 26 0.436 -8.140 -13.449 1.00 0.00 O ATOM 0 H TYR A 26 -0.706 -4.404 -7.589 1.00 0.00 H new ATOM 0 HA TYR A 26 0.389 -7.104 -7.052 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.820 -4.869 -8.480 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.500 -6.396 -7.955 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.220 -4.785 -10.384 1.00 0.00 H new ATOM 0 HD2 TYR A 26 2.041 -8.478 -9.179 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.307 -5.743 -12.610 1.00 0.00 H new ATOM 0 HE2 TYR A 26 1.669 -9.403 -11.453 1.00 0.00 H new ATOM 0 HH TYR A 26 0.789 -9.053 -13.503 1.00 0.00 H new ATOM 400 N PHE A 27 1.318 -6.003 -4.987 1.00 0.00 N ATOM 401 CA PHE A 27 1.582 -5.449 -3.682 1.00 0.00 C ATOM 402 C PHE A 27 3.035 -5.759 -3.377 1.00 0.00 C ATOM 403 O PHE A 27 3.401 -6.892 -3.074 1.00 0.00 O ATOM 404 CB PHE A 27 0.582 -5.998 -2.663 1.00 0.00 C ATOM 405 CG PHE A 27 -0.800 -5.390 -2.751 1.00 0.00 C ATOM 406 CD1 PHE A 27 -0.949 -3.997 -2.686 1.00 0.00 C ATOM 407 CD2 PHE A 27 -1.939 -6.205 -2.865 1.00 0.00 C ATOM 408 CE1 PHE A 27 -2.222 -3.416 -2.728 1.00 0.00 C ATOM 409 CE2 PHE A 27 -3.213 -5.623 -2.962 1.00 0.00 C ATOM 410 CZ PHE A 27 -3.355 -4.230 -2.893 1.00 0.00 C ATOM 0 H PHE A 27 1.516 -7.001 -5.057 1.00 0.00 H new ATOM 0 HA PHE A 27 1.444 -4.369 -3.639 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.500 -7.077 -2.798 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.976 -5.831 -1.660 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.075 -3.368 -2.603 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.834 -7.280 -2.878 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -2.333 -2.346 -2.634 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.084 -6.249 -3.090 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.335 -3.783 -2.967 1.00 0.00 H new ATOM 420 N ILE A 28 3.875 -4.750 -3.562 1.00 0.00 N ATOM 421 CA ILE A 28 5.297 -4.806 -3.282 1.00 0.00 C ATOM 422 C ILE A 28 5.424 -4.586 -1.788 1.00 0.00 C ATOM 423 O ILE A 28 4.905 -3.601 -1.265 1.00 0.00 O ATOM 424 CB ILE A 28 6.033 -3.782 -4.163 1.00 0.00 C ATOM 425 CG1 ILE A 28 5.586 -3.877 -5.644 1.00 0.00 C ATOM 426 CG2 ILE A 28 7.547 -3.986 -4.026 1.00 0.00 C ATOM 427 CD1 ILE A 28 5.562 -5.285 -6.250 1.00 0.00 C ATOM 0 H ILE A 28 3.574 -3.844 -3.922 1.00 0.00 H new ATOM 0 HA ILE A 28 5.766 -5.759 -3.529 1.00 0.00 H new ATOM 0 HB ILE A 28 5.776 -2.779 -3.821 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.587 -3.449 -5.729 1.00 0.00 H new ATOM 0 HG13 ILE A 28 6.251 -3.256 -6.244 1.00 0.00 H new ATOM 0 HG21 ILE A 28 8.070 -3.261 -4.650 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.840 -3.847 -2.985 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.809 -4.995 -4.345 1.00 0.00 H new ATOM 0 HD11 ILE A 28 5.234 -5.229 -7.288 1.00 0.00 H new ATOM 0 HD12 ILE A 28 6.562 -5.716 -6.208 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.872 -5.912 -5.685 1.00 0.00 H new ATOM 439 N ILE A 29 6.006 -5.550 -1.090 1.00 0.00 N ATOM 440 CA ILE A 29 6.259 -5.512 0.338 1.00 0.00 C ATOM 441 C ILE A 29 7.762 -5.398 0.448 1.00 0.00 C ATOM 442 O ILE A 29 8.461 -6.313 0.025 1.00 0.00 O ATOM 443 CB ILE A 29 5.652 -6.768 0.997 1.00 0.00 C ATOM 444 CG1 ILE A 29 4.143 -6.532 1.088 1.00 0.00 C ATOM 445 CG2 ILE A 29 6.319 -7.198 2.319 1.00 0.00 C ATOM 446 CD1 ILE A 29 3.317 -7.744 1.523 1.00 0.00 C ATOM 0 H ILE A 29 6.327 -6.415 -1.524 1.00 0.00 H new ATOM 0 HA ILE A 29 5.794 -4.679 0.866 1.00 0.00 H new ATOM 0 HB ILE A 29 5.855 -7.641 0.377 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.961 -5.718 1.790 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.784 -6.199 0.114 1.00 0.00 H new ATOM 0 HG21 ILE A 29 5.823 -8.089 2.704 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.372 -7.417 2.141 1.00 0.00 H new ATOM 0 HG23 ILE A 29 6.235 -6.392 3.048 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.262 -7.472 1.556 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.460 -8.557 0.811 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.639 -8.068 2.513 1.00 0.00 H new ATOM 458 N TYR A 30 8.236 -4.251 0.924 1.00 0.00 N ATOM 459 CA TYR A 30 9.639 -3.995 1.205 1.00 0.00 C ATOM 460 C TYR A 30 9.833 -4.178 2.702 1.00 0.00 C ATOM 461 O TYR A 30 9.131 -3.574 3.519 1.00 0.00 O ATOM 462 CB TYR A 30 10.030 -2.583 0.751 1.00 0.00 C ATOM 463 CG TYR A 30 11.505 -2.253 0.900 1.00 0.00 C ATOM 464 CD1 TYR A 30 12.406 -2.571 -0.133 1.00 0.00 C ATOM 465 CD2 TYR A 30 11.980 -1.613 2.062 1.00 0.00 C ATOM 466 CE1 TYR A 30 13.777 -2.287 0.003 1.00 0.00 C ATOM 467 CE2 TYR A 30 13.349 -1.315 2.200 1.00 0.00 C ATOM 468 CZ TYR A 30 14.256 -1.659 1.174 1.00 0.00 C ATOM 469 OH TYR A 30 15.583 -1.403 1.346 1.00 0.00 O ATOM 0 H TYR A 30 7.635 -3.453 1.130 1.00 0.00 H new ATOM 0 HA TYR A 30 10.282 -4.684 0.658 1.00 0.00 H new ATOM 0 HB2 TYR A 30 9.749 -2.462 -0.295 1.00 0.00 H new ATOM 0 HB3 TYR A 30 9.450 -1.859 1.323 1.00 0.00 H new ATOM 0 HD1 TYR A 30 12.042 -3.037 -1.037 1.00 0.00 H new ATOM 0 HD2 TYR A 30 11.291 -1.350 2.851 1.00 0.00 H new ATOM 0 HE1 TYR A 30 14.464 -2.549 -0.788 1.00 0.00 H new ATOM 0 HE2 TYR A 30 13.706 -0.822 3.092 1.00 0.00 H new ATOM 0 HH TYR A 30 15.722 -0.966 2.212 1.00 0.00 H new ATOM 479 N ASP A 31 10.747 -5.068 3.045 1.00 0.00 N ATOM 480 CA ASP A 31 11.207 -5.381 4.379 1.00 0.00 C ATOM 481 C ASP A 31 12.349 -4.449 4.757 1.00 0.00 C ATOM 482 O ASP A 31 13.413 -4.534 4.149 1.00 0.00 O ATOM 483 CB ASP A 31 11.710 -6.828 4.361 1.00 0.00 C ATOM 484 CG ASP A 31 11.938 -7.393 5.751 1.00 0.00 C ATOM 485 OD1 ASP A 31 12.197 -6.582 6.659 1.00 0.00 O ATOM 486 OD2 ASP A 31 11.951 -8.641 5.868 1.00 0.00 O ATOM 0 H ASP A 31 11.221 -5.633 2.340 1.00 0.00 H new ATOM 0 HA ASP A 31 10.403 -5.259 5.105 1.00 0.00 H new ATOM 0 HB2 ASP A 31 10.987 -7.452 3.835 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.642 -6.876 3.798 1.00 0.00 H new ATOM 491 N THR A 32 12.192 -3.566 5.747 1.00 0.00 N ATOM 492 CA THR A 32 13.299 -2.674 6.117 1.00 0.00 C ATOM 493 C THR A 32 14.403 -3.366 6.915 1.00 0.00 C ATOM 494 O THR A 32 15.353 -2.697 7.329 1.00 0.00 O ATOM 495 CB THR A 32 12.787 -1.350 6.720 1.00 0.00 C ATOM 496 OG1 THR A 32 12.019 -1.581 7.875 1.00 0.00 O ATOM 497 CG2 THR A 32 11.880 -0.575 5.755 1.00 0.00 C ATOM 0 H THR A 32 11.338 -3.449 6.293 1.00 0.00 H new ATOM 0 HA THR A 32 13.806 -2.393 5.194 1.00 0.00 H new ATOM 0 HB THR A 32 13.685 -0.773 6.941 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.708 -0.725 8.238 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.548 0.348 6.230 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.434 -0.337 4.847 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.013 -1.185 5.502 1.00 0.00 H new ATOM 505 N GLU A 33 14.355 -4.689 7.077 1.00 0.00 N ATOM 506 CA GLU A 33 15.288 -5.381 7.948 1.00 0.00 C ATOM 507 C GLU A 33 16.461 -5.953 7.219 1.00 0.00 C ATOM 508 O GLU A 33 17.599 -5.801 7.684 1.00 0.00 O ATOM 509 CB GLU A 33 14.618 -6.495 8.753 1.00 0.00 C ATOM 510 CG GLU A 33 13.647 -5.953 9.809 1.00 0.00 C ATOM 511 CD GLU A 33 13.475 -6.945 10.959 1.00 0.00 C ATOM 512 OE1 GLU A 33 14.432 -7.095 11.761 1.00 0.00 O ATOM 513 OE2 GLU A 33 12.376 -7.518 11.128 1.00 0.00 O ATOM 0 H GLU A 33 13.679 -5.296 6.614 1.00 0.00 H new ATOM 0 HA GLU A 33 15.648 -4.610 8.630 1.00 0.00 H new ATOM 0 HB2 GLU A 33 14.079 -7.156 8.074 1.00 0.00 H new ATOM 0 HB3 GLU A 33 15.384 -7.096 9.243 1.00 0.00 H new ATOM 0 HG2 GLU A 33 14.018 -5.004 10.196 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.679 -5.753 9.349 1.00 0.00 H new ATOM 520 N SER A 34 16.204 -6.531 6.051 1.00 0.00 N ATOM 521 CA SER A 34 17.293 -6.718 5.133 1.00 0.00 C ATOM 522 C SER A 34 16.914 -6.196 3.756 1.00 0.00 C ATOM 523 O SER A 34 17.390 -6.721 2.754 1.00 0.00 O ATOM 524 CB SER A 34 17.644 -8.211 5.126 1.00 0.00 C ATOM 525 OG SER A 34 18.957 -8.421 4.636 1.00 0.00 O ATOM 0 H SER A 34 15.291 -6.861 5.737 1.00 0.00 H new ATOM 0 HA SER A 34 18.173 -6.153 5.439 1.00 0.00 H new ATOM 0 HB2 SER A 34 17.560 -8.613 6.136 1.00 0.00 H new ATOM 0 HB3 SER A 34 16.930 -8.753 4.507 1.00 0.00 H new ATOM 0 HG SER A 34 19.059 -7.973 3.771 1.00 0.00 H new ATOM 531 N GLY A 35 16.167 -5.089 3.722 1.00 0.00 N ATOM 532 CA GLY A 35 15.863 -4.329 2.523 1.00 0.00 C ATOM 533 C GLY A 35 15.370 -5.200 1.367 1.00 0.00 C ATOM 534 O GLY A 35 15.657 -4.920 0.201 1.00 0.00 O ATOM 0 H GLY A 35 15.746 -4.690 4.561 1.00 0.00 H new ATOM 0 HA2 GLY A 35 15.104 -3.583 2.756 1.00 0.00 H new ATOM 0 HA3 GLY A 35 16.755 -3.788 2.207 1.00 0.00 H new ATOM 538 N ASN A 36 14.721 -6.313 1.700 1.00 0.00 N ATOM 539 CA ASN A 36 14.314 -7.342 0.764 1.00 0.00 C ATOM 540 C ASN A 36 12.900 -7.021 0.301 1.00 0.00 C ATOM 541 O ASN A 36 12.203 -6.244 0.952 1.00 0.00 O ATOM 542 CB ASN A 36 14.443 -8.719 1.438 1.00 0.00 C ATOM 543 CG ASN A 36 13.904 -9.816 0.531 1.00 0.00 C ATOM 544 OD1 ASN A 36 14.311 -9.906 -0.626 1.00 0.00 O ATOM 545 ND2 ASN A 36 12.943 -10.596 0.984 1.00 0.00 N ATOM 0 H ASN A 36 14.458 -6.525 2.663 1.00 0.00 H new ATOM 0 HA ASN A 36 14.953 -7.371 -0.119 1.00 0.00 H new ATOM 0 HB2 ASN A 36 15.489 -8.917 1.674 1.00 0.00 H new ATOM 0 HB3 ASN A 36 13.897 -8.720 2.382 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.520 -11.293 0.371 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.622 -10.503 1.948 1.00 0.00 H new ATOM 552 N VAL A 37 12.467 -7.591 -0.820 1.00 0.00 N ATOM 553 CA VAL A 37 11.167 -7.300 -1.387 1.00 0.00 C ATOM 554 C VAL A 37 10.456 -8.601 -1.728 1.00 0.00 C ATOM 555 O VAL A 37 11.091 -9.626 -2.002 1.00 0.00 O ATOM 556 CB VAL A 37 11.261 -6.351 -2.607 1.00 0.00 C ATOM 557 CG1 VAL A 37 10.086 -5.366 -2.565 1.00 0.00 C ATOM 558 CG2 VAL A 37 12.555 -5.527 -2.724 1.00 0.00 C ATOM 0 H VAL A 37 13.012 -8.266 -1.356 1.00 0.00 H new ATOM 0 HA VAL A 37 10.577 -6.767 -0.641 1.00 0.00 H new ATOM 0 HB VAL A 37 11.244 -7.013 -3.473 1.00 0.00 H new ATOM 0 HG11 VAL A 37 10.144 -4.694 -3.421 1.00 0.00 H new ATOM 0 HG12 VAL A 37 9.147 -5.918 -2.601 1.00 0.00 H new ATOM 0 HG13 VAL A 37 10.131 -4.785 -1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.508 -4.900 -3.615 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.666 -4.896 -1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.409 -6.200 -2.799 1.00 0.00 H new ATOM 568 N GLU A 38 9.129 -8.556 -1.780 1.00 0.00 N ATOM 569 CA GLU A 38 8.324 -9.608 -2.362 1.00 0.00 C ATOM 570 C GLU A 38 7.254 -8.942 -3.216 1.00 0.00 C ATOM 571 O GLU A 38 6.892 -7.784 -2.987 1.00 0.00 O ATOM 572 CB GLU A 38 7.757 -10.527 -1.266 1.00 0.00 C ATOM 573 CG GLU A 38 6.866 -9.803 -0.271 1.00 0.00 C ATOM 574 CD GLU A 38 6.421 -10.718 0.864 1.00 0.00 C ATOM 575 OE1 GLU A 38 5.470 -11.502 0.653 1.00 0.00 O ATOM 576 OE2 GLU A 38 7.038 -10.700 1.956 1.00 0.00 O ATOM 0 H GLU A 38 8.582 -7.777 -1.413 1.00 0.00 H new ATOM 0 HA GLU A 38 8.918 -10.262 -3.000 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.188 -11.330 -1.734 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.584 -10.993 -0.730 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.402 -8.948 0.141 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.989 -9.411 -0.787 1.00 0.00 H new ATOM 583 N VAL A 39 6.747 -9.683 -4.195 1.00 0.00 N ATOM 584 CA VAL A 39 5.658 -9.261 -5.066 1.00 0.00 C ATOM 585 C VAL A 39 4.492 -10.170 -4.730 1.00 0.00 C ATOM 586 O VAL A 39 4.484 -11.343 -5.106 1.00 0.00 O ATOM 587 CB VAL A 39 6.006 -9.367 -6.567 1.00 0.00 C ATOM 588 CG1 VAL A 39 4.850 -8.812 -7.434 1.00 0.00 C ATOM 589 CG2 VAL A 39 7.324 -8.660 -6.904 1.00 0.00 C ATOM 0 H VAL A 39 7.092 -10.619 -4.410 1.00 0.00 H new ATOM 0 HA VAL A 39 5.434 -8.208 -4.898 1.00 0.00 H new ATOM 0 HB VAL A 39 6.140 -10.424 -6.795 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.114 -8.895 -8.488 1.00 0.00 H new ATOM 0 HG12 VAL A 39 3.943 -9.384 -7.241 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.678 -7.765 -7.184 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.529 -8.760 -7.970 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.246 -7.604 -6.647 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.136 -9.113 -6.335 1.00 0.00 H new ATOM 599 N VAL A 40 3.493 -9.631 -4.058 1.00 0.00 N ATOM 600 CA VAL A 40 2.175 -10.226 -4.046 1.00 0.00 C ATOM 601 C VAL A 40 1.514 -9.822 -5.372 1.00 0.00 C ATOM 602 O VAL A 40 1.670 -8.696 -5.841 1.00 0.00 O ATOM 603 CB VAL A 40 1.466 -9.689 -2.792 1.00 0.00 C ATOM 604 CG1 VAL A 40 -0.057 -9.653 -2.906 1.00 0.00 C ATOM 605 CG2 VAL A 40 1.881 -10.485 -1.546 1.00 0.00 C ATOM 0 H VAL A 40 3.573 -8.775 -3.510 1.00 0.00 H new ATOM 0 HA VAL A 40 2.154 -11.314 -3.986 1.00 0.00 H new ATOM 0 HB VAL A 40 1.792 -8.653 -2.695 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.482 -9.262 -1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.345 -9.010 -3.738 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.433 -10.661 -3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.366 -10.087 -0.672 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.613 -11.533 -1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.958 -10.401 -1.403 1.00 0.00 H new ATOM 615 N GLU A 41 0.759 -10.739 -5.964 1.00 0.00 N ATOM 616 CA GLU A 41 -0.068 -10.575 -7.150 1.00 0.00 C ATOM 617 C GLU A 41 -1.510 -10.673 -6.652 1.00 0.00 C ATOM 618 O GLU A 41 -1.910 -11.742 -6.174 1.00 0.00 O ATOM 619 CB GLU A 41 0.287 -11.727 -8.101 1.00 0.00 C ATOM 620 CG GLU A 41 -0.645 -11.847 -9.309 1.00 0.00 C ATOM 621 CD GLU A 41 -0.518 -13.233 -9.937 1.00 0.00 C ATOM 622 OE1 GLU A 41 -1.069 -14.205 -9.363 1.00 0.00 O ATOM 623 OE2 GLU A 41 0.129 -13.351 -11.001 1.00 0.00 O ATOM 0 H GLU A 41 0.706 -11.690 -5.598 1.00 0.00 H new ATOM 0 HA GLU A 41 0.078 -9.634 -7.680 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.309 -11.590 -8.456 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.266 -12.664 -7.544 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -1.676 -11.672 -9.001 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.398 -11.082 -10.045 1.00 0.00 H new ATOM 630 N ASN A 42 -2.283 -9.588 -6.679 1.00 0.00 N ATOM 631 CA ASN A 42 -3.565 -9.509 -5.984 1.00 0.00 C ATOM 632 C ASN A 42 -4.585 -8.848 -6.895 1.00 0.00 C ATOM 633 O ASN A 42 -4.547 -7.642 -7.118 1.00 0.00 O ATOM 634 CB ASN A 42 -3.399 -8.762 -4.662 1.00 0.00 C ATOM 635 CG ASN A 42 -4.511 -9.107 -3.689 1.00 0.00 C ATOM 636 OD1 ASN A 42 -5.495 -8.398 -3.564 1.00 0.00 O ATOM 637 ND2 ASN A 42 -4.370 -10.195 -2.952 1.00 0.00 N ATOM 0 H ASN A 42 -2.036 -8.737 -7.185 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.927 -10.508 -5.743 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.435 -9.012 -4.219 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.395 -7.688 -4.847 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.088 -10.447 -2.272 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.544 -10.783 -3.063 1.00 0.00 H new ATOM 754 N PRO A 52 -11.191 -8.901 4.187 1.00 0.00 N ATOM 755 CA PRO A 52 -10.321 -7.885 3.614 1.00 0.00 C ATOM 756 C PRO A 52 -9.649 -8.360 2.331 1.00 0.00 C ATOM 757 O PRO A 52 -9.353 -7.519 1.484 1.00 0.00 O ATOM 758 CB PRO A 52 -9.262 -7.565 4.657 1.00 0.00 C ATOM 759 CG PRO A 52 -9.289 -8.737 5.627 1.00 0.00 C ATOM 760 CD PRO A 52 -10.697 -9.325 5.489 1.00 0.00 C ATOM 0 HA PRO A 52 -10.913 -7.008 3.353 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.279 -7.456 4.199 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.482 -6.627 5.167 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.526 -9.474 5.378 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -9.095 -8.410 6.649 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.673 -10.412 5.560 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -11.348 -8.967 6.287 1.00 0.00 H new ATOM 768 N LYS A 53 -9.381 -9.669 2.203 1.00 0.00 N ATOM 769 CA LYS A 53 -8.577 -10.314 1.166 1.00 0.00 C ATOM 770 C LYS A 53 -7.160 -9.748 1.149 1.00 0.00 C ATOM 771 O LYS A 53 -6.262 -10.344 1.742 1.00 0.00 O ATOM 772 CB LYS A 53 -9.311 -10.267 -0.188 1.00 0.00 C ATOM 773 CG LYS A 53 -10.593 -11.122 -0.181 1.00 0.00 C ATOM 774 CD LYS A 53 -11.559 -10.707 -1.295 1.00 0.00 C ATOM 775 CE LYS A 53 -12.283 -9.405 -0.928 1.00 0.00 C ATOM 776 NZ LYS A 53 -13.133 -8.921 -2.033 1.00 0.00 N ATOM 0 H LYS A 53 -9.748 -10.347 2.870 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.454 -11.373 1.393 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.566 -9.234 -0.426 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.644 -10.621 -0.974 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -10.330 -12.173 -0.301 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.089 -11.026 0.785 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.011 -10.574 -2.228 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.288 -11.499 -1.465 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.896 -9.567 -0.042 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.549 -8.641 -0.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.606 -8.040 -1.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.544 -8.742 -2.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -13.849 -9.640 -2.260 1.00 0.00 H new ATOM 790 N VAL A 54 -6.988 -8.569 0.558 1.00 0.00 N ATOM 791 CA VAL A 54 -5.731 -7.851 0.438 1.00 0.00 C ATOM 792 C VAL A 54 -5.110 -7.701 1.825 1.00 0.00 C ATOM 793 O VAL A 54 -4.039 -8.237 2.089 1.00 0.00 O ATOM 794 CB VAL A 54 -5.939 -6.522 -0.338 1.00 0.00 C ATOM 795 CG1 VAL A 54 -7.273 -5.790 -0.112 1.00 0.00 C ATOM 796 CG2 VAL A 54 -4.801 -5.529 -0.091 1.00 0.00 C ATOM 0 H VAL A 54 -7.765 -8.066 0.129 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.011 -8.410 -0.159 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.952 -6.866 -1.372 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.294 -4.879 -0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -8.098 -6.437 -0.409 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -7.374 -5.535 0.943 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -4.988 -4.614 -0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.745 -5.296 0.972 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.858 -5.968 -0.416 1.00 0.00 H new ATOM 806 N VAL A 55 -5.792 -6.987 2.719 1.00 0.00 N ATOM 807 CA VAL A 55 -5.287 -6.622 4.038 1.00 0.00 C ATOM 808 C VAL A 55 -4.865 -7.878 4.775 1.00 0.00 C ATOM 809 O VAL A 55 -3.683 -7.943 5.073 1.00 0.00 O ATOM 810 CB VAL A 55 -6.282 -5.679 4.764 1.00 0.00 C ATOM 811 CG1 VAL A 55 -5.554 -4.746 5.725 1.00 0.00 C ATOM 812 CG2 VAL A 55 -7.084 -4.793 3.779 1.00 0.00 C ATOM 0 H VAL A 55 -6.734 -6.639 2.540 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.380 -6.020 3.974 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.966 -6.335 5.303 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.277 -4.097 6.219 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.024 -5.336 6.473 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -4.840 -4.138 5.170 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.766 -4.152 4.338 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.396 -4.175 3.202 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.656 -5.427 3.102 1.00 0.00 H new ATOM 822 N GLN A 56 -5.710 -8.907 4.909 1.00 0.00 N ATOM 823 CA GLN A 56 -5.324 -10.131 5.606 1.00 0.00 C ATOM 824 C GLN A 56 -3.996 -10.694 5.067 1.00 0.00 C ATOM 825 O GLN A 56 -3.091 -11.031 5.835 1.00 0.00 O ATOM 826 CB GLN A 56 -6.442 -11.180 5.542 1.00 0.00 C ATOM 827 CG GLN A 56 -7.302 -11.171 6.817 1.00 0.00 C ATOM 828 CD GLN A 56 -6.667 -11.998 7.923 1.00 0.00 C ATOM 829 OE1 GLN A 56 -6.874 -13.205 7.972 1.00 0.00 O ATOM 830 NE2 GLN A 56 -5.921 -11.397 8.834 1.00 0.00 N ATOM 0 H GLN A 56 -6.662 -8.913 4.544 1.00 0.00 H new ATOM 0 HA GLN A 56 -5.167 -9.876 6.654 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -7.074 -10.986 4.675 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -6.006 -12.169 5.404 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -7.436 -10.145 7.160 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -8.293 -11.564 6.591 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -5.759 -10.392 8.778 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.507 -11.939 9.593 1.00 0.00 H new ATOM 839 N SER A 57 -3.848 -10.761 3.742 1.00 0.00 N ATOM 840 CA SER A 57 -2.640 -11.277 3.123 1.00 0.00 C ATOM 841 C SER A 57 -1.412 -10.412 3.335 1.00 0.00 C ATOM 842 O SER A 57 -0.317 -10.958 3.464 1.00 0.00 O ATOM 843 CB SER A 57 -2.843 -11.428 1.617 1.00 0.00 C ATOM 844 OG SER A 57 -3.098 -12.793 1.311 1.00 0.00 O ATOM 0 H SER A 57 -4.561 -10.460 3.078 1.00 0.00 H new ATOM 0 HA SER A 57 -2.460 -12.235 3.610 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.676 -10.808 1.287 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.958 -11.083 1.083 1.00 0.00 H new ATOM 0 HG SER A 57 -3.230 -12.893 0.345 1.00 0.00 H new ATOM 850 N LEU A 58 -1.541 -9.093 3.295 1.00 0.00 N ATOM 851 CA LEU A 58 -0.390 -8.221 3.447 1.00 0.00 C ATOM 852 C LEU A 58 0.008 -8.127 4.916 1.00 0.00 C ATOM 853 O LEU A 58 1.189 -8.138 5.245 1.00 0.00 O ATOM 854 CB LEU A 58 -0.706 -6.836 2.894 1.00 0.00 C ATOM 855 CG LEU A 58 -1.059 -6.771 1.393 1.00 0.00 C ATOM 856 CD1 LEU A 58 -1.292 -5.309 1.007 1.00 0.00 C ATOM 857 CD2 LEU A 58 -0.020 -7.376 0.453 1.00 0.00 C ATOM 0 H LEU A 58 -2.428 -8.607 3.159 1.00 0.00 H new ATOM 0 HA LEU A 58 0.446 -8.639 2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.539 -6.422 3.461 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.154 -6.190 3.073 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.953 -7.382 1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.543 -5.248 -0.052 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.113 -4.903 1.598 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.387 -4.733 1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.362 -7.280 -0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.927 -6.850 0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.118 -8.430 0.693 1.00 0.00 H new ATOM 869 N VAL A 59 -0.982 -8.090 5.799 1.00 0.00 N ATOM 870 CA VAL A 59 -0.849 -8.134 7.243 1.00 0.00 C ATOM 871 C VAL A 59 -0.120 -9.415 7.672 1.00 0.00 C ATOM 872 O VAL A 59 0.703 -9.380 8.586 1.00 0.00 O ATOM 873 CB VAL A 59 -2.271 -7.966 7.824 1.00 0.00 C ATOM 874 CG1 VAL A 59 -2.419 -8.431 9.279 1.00 0.00 C ATOM 875 CG2 VAL A 59 -2.732 -6.501 7.737 1.00 0.00 C ATOM 0 H VAL A 59 -1.956 -8.025 5.505 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.228 -7.329 7.636 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.897 -8.612 7.208 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.447 -8.278 9.607 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.169 -9.490 9.350 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -1.746 -7.856 9.915 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.736 -6.410 8.152 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.047 -5.870 8.303 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.741 -6.184 6.694 1.00 0.00 H new ATOM 885 N SER A 60 -0.295 -10.521 6.938 1.00 0.00 N ATOM 886 CA SER A 60 0.446 -11.757 7.145 1.00 0.00 C ATOM 887 C SER A 60 1.966 -11.577 6.994 1.00 0.00 C ATOM 888 O SER A 60 2.727 -12.475 7.365 1.00 0.00 O ATOM 889 CB SER A 60 -0.048 -12.806 6.141 1.00 0.00 C ATOM 890 OG SER A 60 -0.753 -13.850 6.775 1.00 0.00 O ATOM 0 H SER A 60 -0.968 -10.576 6.173 1.00 0.00 H new ATOM 0 HA SER A 60 0.266 -12.080 8.170 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.693 -12.328 5.404 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.803 -13.219 5.599 1.00 0.00 H new ATOM 0 HG SER A 60 -1.053 -14.497 6.103 1.00 0.00 H new ATOM 896 N LYS A 61 2.434 -10.453 6.443 1.00 0.00 N ATOM 897 CA LYS A 61 3.847 -10.143 6.285 1.00 0.00 C ATOM 898 C LYS A 61 4.221 -8.946 7.153 1.00 0.00 C ATOM 899 O LYS A 61 5.087 -8.169 6.764 1.00 0.00 O ATOM 900 CB LYS A 61 4.105 -9.879 4.791 1.00 0.00 C ATOM 901 CG LYS A 61 3.998 -11.154 3.947 1.00 0.00 C ATOM 902 CD LYS A 61 2.650 -11.363 3.259 1.00 0.00 C ATOM 903 CE LYS A 61 2.835 -12.360 2.113 1.00 0.00 C ATOM 904 NZ LYS A 61 1.559 -12.769 1.492 1.00 0.00 N ATOM 0 H LYS A 61 1.821 -9.719 6.088 1.00 0.00 H new ATOM 0 HA LYS A 61 4.471 -10.974 6.613 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.389 -9.143 4.426 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.098 -9.446 4.667 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.778 -11.134 3.186 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.199 -12.013 4.587 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.916 -11.738 3.972 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.269 -10.415 2.878 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.477 -11.916 1.352 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.350 -13.244 2.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.434 -13.796 1.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.772 -12.273 1.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.571 -12.526 0.481 1.00 0.00 H new ATOM 918 N GLY A 62 3.652 -8.843 8.357 1.00 0.00 N ATOM 919 CA GLY A 62 4.049 -7.881 9.382 1.00 0.00 C ATOM 920 C GLY A 62 4.139 -6.436 8.891 1.00 0.00 C ATOM 921 O GLY A 62 4.919 -5.647 9.428 1.00 0.00 O ATOM 0 H GLY A 62 2.882 -9.444 8.651 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.335 -7.929 10.204 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.018 -8.176 9.784 1.00 0.00 H new ATOM 925 N VAL A 63 3.402 -6.091 7.832 1.00 0.00 N ATOM 926 CA VAL A 63 3.424 -4.782 7.226 1.00 0.00 C ATOM 927 C VAL A 63 2.917 -3.782 8.277 1.00 0.00 C ATOM 928 O VAL A 63 1.761 -3.844 8.685 1.00 0.00 O ATOM 929 CB VAL A 63 2.591 -4.895 5.930 1.00 0.00 C ATOM 930 CG1 VAL A 63 2.255 -3.536 5.338 1.00 0.00 C ATOM 931 CG2 VAL A 63 3.313 -5.708 4.839 1.00 0.00 C ATOM 0 H VAL A 63 2.763 -6.738 7.371 1.00 0.00 H new ATOM 0 HA VAL A 63 4.407 -4.415 6.931 1.00 0.00 H new ATOM 0 HB VAL A 63 1.676 -5.406 6.231 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.669 -3.670 4.429 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.678 -2.957 6.060 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.177 -3.005 5.101 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.687 -5.758 3.948 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.258 -5.225 4.591 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.506 -6.717 5.205 1.00 0.00 H new ATOM 941 N GLU A 64 3.767 -2.866 8.745 1.00 0.00 N ATOM 942 CA GLU A 64 3.440 -1.867 9.781 1.00 0.00 C ATOM 943 C GLU A 64 3.500 -0.455 9.200 1.00 0.00 C ATOM 944 O GLU A 64 3.859 0.526 9.847 1.00 0.00 O ATOM 945 CB GLU A 64 4.437 -2.039 10.933 1.00 0.00 C ATOM 946 CG GLU A 64 3.906 -2.991 12.010 1.00 0.00 C ATOM 947 CD GLU A 64 3.698 -2.298 13.368 1.00 0.00 C ATOM 948 OE1 GLU A 64 3.240 -1.123 13.435 1.00 0.00 O ATOM 949 OE2 GLU A 64 3.941 -2.942 14.409 1.00 0.00 O ATOM 0 H GLU A 64 4.727 -2.791 8.410 1.00 0.00 H new ATOM 0 HA GLU A 64 2.425 -2.017 10.149 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.380 -2.422 10.543 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.648 -1.067 11.379 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.960 -3.418 11.677 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.604 -3.819 12.133 1.00 0.00 H new ATOM 956 N TYR A 65 3.051 -0.332 7.966 1.00 0.00 N ATOM 957 CA TYR A 65 3.258 0.797 7.103 1.00 0.00 C ATOM 958 C TYR A 65 2.471 0.486 5.836 1.00 0.00 C ATOM 959 O TYR A 65 1.994 -0.631 5.631 1.00 0.00 O ATOM 960 CB TYR A 65 4.746 0.883 6.751 1.00 0.00 C ATOM 961 CG TYR A 65 5.660 1.696 7.644 1.00 0.00 C ATOM 962 CD1 TYR A 65 5.423 3.065 7.889 1.00 0.00 C ATOM 963 CD2 TYR A 65 6.820 1.091 8.149 1.00 0.00 C ATOM 964 CE1 TYR A 65 6.315 3.807 8.680 1.00 0.00 C ATOM 965 CE2 TYR A 65 7.724 1.832 8.933 1.00 0.00 C ATOM 966 CZ TYR A 65 7.462 3.186 9.218 1.00 0.00 C ATOM 967 OH TYR A 65 8.290 3.898 10.028 1.00 0.00 O ATOM 0 H TYR A 65 2.500 -1.065 7.520 1.00 0.00 H new ATOM 0 HA TYR A 65 2.946 1.734 7.565 1.00 0.00 H new ATOM 0 HB2 TYR A 65 5.137 -0.134 6.717 1.00 0.00 H new ATOM 0 HB3 TYR A 65 4.824 1.288 5.742 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.552 3.544 7.467 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.021 0.052 7.935 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.123 4.852 8.876 1.00 0.00 H new ATOM 0 HE2 TYR A 65 8.618 1.362 9.316 1.00 0.00 H new ATOM 0 HH TYR A 65 9.033 3.329 10.318 1.00 0.00 H new ATOM 977 N LEU A 66 2.375 1.457 4.946 1.00 0.00 N ATOM 978 CA LEU A 66 1.785 1.344 3.632 1.00 0.00 C ATOM 979 C LEU A 66 1.938 2.683 2.917 1.00 0.00 C ATOM 980 O LEU A 66 1.510 3.694 3.444 1.00 0.00 O ATOM 981 CB LEU A 66 0.296 0.970 3.774 1.00 0.00 C ATOM 982 CG LEU A 66 -0.531 1.333 2.541 1.00 0.00 C ATOM 983 CD1 LEU A 66 0.017 0.654 1.275 1.00 0.00 C ATOM 984 CD2 LEU A 66 -2.007 0.956 2.697 1.00 0.00 C ATOM 0 H LEU A 66 2.727 2.396 5.135 1.00 0.00 H new ATOM 0 HA LEU A 66 2.283 0.567 3.052 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.212 -0.101 3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.119 1.477 4.645 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.453 2.416 2.441 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.595 0.934 0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.045 0.974 1.107 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.010 -0.428 1.402 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.551 1.235 1.794 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.093 -0.119 2.855 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.429 1.484 3.552 1.00 0.00 H new ATOM 996 N ILE A 67 2.429 2.712 1.688 1.00 0.00 N ATOM 997 CA ILE A 67 2.550 3.917 0.882 1.00 0.00 C ATOM 998 C ILE A 67 1.395 3.914 -0.105 1.00 0.00 C ATOM 999 O ILE A 67 1.403 3.126 -1.046 1.00 0.00 O ATOM 1000 CB ILE A 67 3.918 3.875 0.186 1.00 0.00 C ATOM 1001 CG1 ILE A 67 5.027 3.982 1.274 1.00 0.00 C ATOM 1002 CG2 ILE A 67 4.100 5.078 -0.748 1.00 0.00 C ATOM 1003 CD1 ILE A 67 6.390 3.450 0.878 1.00 0.00 C ATOM 0 H ILE A 67 2.764 1.875 1.210 1.00 0.00 H new ATOM 0 HA ILE A 67 2.499 4.834 1.469 1.00 0.00 H new ATOM 0 HB ILE A 67 3.981 2.949 -0.385 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.134 5.030 1.556 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.692 3.446 2.162 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.077 5.022 -1.227 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.321 5.068 -1.510 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.031 6.000 -0.171 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.085 3.574 1.709 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.309 2.392 0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.758 4.000 0.012 1.00 0.00 H new ATOM 1015 N ALA A 68 0.369 4.733 0.112 1.00 0.00 N ATOM 1016 CA ALA A 68 -0.788 4.804 -0.757 1.00 0.00 C ATOM 1017 C ALA A 68 -1.355 6.224 -0.732 1.00 0.00 C ATOM 1018 O ALA A 68 -1.842 6.684 0.300 1.00 0.00 O ATOM 1019 CB ALA A 68 -1.841 3.811 -0.272 1.00 0.00 C ATOM 0 H ALA A 68 0.323 5.371 0.907 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.501 4.553 -1.778 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.714 3.860 -0.922 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.428 2.803 -0.295 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.134 4.060 0.748 1.00 0.00 H new ATOM 1025 N SER A 69 -1.354 6.885 -1.886 1.00 0.00 N ATOM 1026 CA SER A 69 -1.991 8.185 -2.102 1.00 0.00 C ATOM 1027 C SER A 69 -3.413 8.231 -1.545 1.00 0.00 C ATOM 1028 O SER A 69 -3.886 9.298 -1.148 1.00 0.00 O ATOM 1029 CB SER A 69 -2.085 8.490 -3.603 1.00 0.00 C ATOM 1030 OG SER A 69 -2.796 7.470 -4.261 1.00 0.00 O ATOM 0 H SER A 69 -0.897 6.522 -2.723 1.00 0.00 H new ATOM 0 HA SER A 69 -1.372 8.918 -1.584 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.582 9.448 -3.757 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.085 8.578 -4.027 1.00 0.00 H new ATOM 0 HG SER A 69 -3.521 7.865 -4.789 1.00 0.00 H new ATOM 1036 N ASN A 70 -4.128 7.101 -1.591 1.00 0.00 N ATOM 1037 CA ASN A 70 -5.519 7.021 -1.252 1.00 0.00 C ATOM 1038 C ASN A 70 -5.767 5.581 -0.810 1.00 0.00 C ATOM 1039 O ASN A 70 -4.853 4.751 -0.808 1.00 0.00 O ATOM 1040 CB ASN A 70 -6.352 7.337 -2.510 1.00 0.00 C ATOM 1041 CG ASN A 70 -7.561 8.209 -2.240 1.00 0.00 C ATOM 1042 OD1 ASN A 70 -8.448 7.852 -1.469 1.00 0.00 O ATOM 1043 ND2 ASN A 70 -7.635 9.354 -2.892 1.00 0.00 N ATOM 0 H ASN A 70 -3.729 6.206 -1.874 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.794 7.724 -0.466 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.714 7.833 -3.242 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.684 6.401 -2.959 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.442 9.964 -2.761 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.885 9.629 -3.527 1.00 0.00 H new ATOM 1050 N VAL A 71 -7.005 5.215 -0.506 1.00 0.00 N ATOM 1051 CA VAL A 71 -7.383 3.818 -0.371 1.00 0.00 C ATOM 1052 C VAL A 71 -8.174 3.464 -1.638 1.00 0.00 C ATOM 1053 O VAL A 71 -8.348 4.304 -2.516 1.00 0.00 O ATOM 1054 CB VAL A 71 -7.982 3.588 1.040 1.00 0.00 C ATOM 1055 CG1 VAL A 71 -9.460 3.891 1.245 1.00 0.00 C ATOM 1056 CG2 VAL A 71 -7.729 2.167 1.530 1.00 0.00 C ATOM 0 H VAL A 71 -7.768 5.873 -0.348 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.576 3.086 -0.361 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.446 4.338 1.622 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.734 3.683 2.279 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.650 4.941 1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -10.055 3.266 0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.163 2.042 2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -8.188 1.458 0.841 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.655 1.984 1.578 1.00 0.00 H new ATOM 1066 N GLY A 72 -8.578 2.208 -1.811 1.00 0.00 N ATOM 1067 CA GLY A 72 -9.479 1.824 -2.899 1.00 0.00 C ATOM 1068 C GLY A 72 -10.880 1.582 -2.323 1.00 0.00 C ATOM 1069 O GLY A 72 -11.664 0.827 -2.892 1.00 0.00 O ATOM 0 H GLY A 72 -8.295 1.434 -1.210 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -9.513 2.609 -3.655 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.113 0.923 -3.391 1.00 0.00 H new ATOM 1073 N ARG A 73 -11.182 2.231 -1.190 1.00 0.00 N ATOM 1074 CA ARG A 73 -12.281 1.981 -0.260 1.00 0.00 C ATOM 1075 C ARG A 73 -12.058 0.658 0.477 1.00 0.00 C ATOM 1076 O ARG A 73 -10.944 0.139 0.444 1.00 0.00 O ATOM 1077 CB ARG A 73 -13.647 2.143 -0.957 1.00 0.00 C ATOM 1078 CG ARG A 73 -14.656 2.826 -0.022 1.00 0.00 C ATOM 1079 CD ARG A 73 -15.989 3.103 -0.713 1.00 0.00 C ATOM 1080 NE ARG A 73 -16.807 4.012 0.103 1.00 0.00 N ATOM 1081 CZ ARG A 73 -18.060 3.821 0.531 1.00 0.00 C ATOM 1082 NH1 ARG A 73 -18.656 2.637 0.434 1.00 0.00 N ATOM 1083 NH2 ARG A 73 -18.702 4.855 1.059 1.00 0.00 N ATOM 0 H ARG A 73 -10.608 3.014 -0.877 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.296 2.739 0.523 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.529 2.733 -1.866 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.026 1.166 -1.257 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.825 2.194 0.850 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.235 3.764 0.341 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.813 3.543 -1.695 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.524 2.167 -0.875 1.00 0.00 H new ATOM 0 HE ARG A 73 -16.368 4.892 0.375 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -18.157 1.847 0.025 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -19.612 2.519 0.768 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -18.239 5.761 1.129 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -19.659 4.744 1.395 1.00 0.00 H new ATOM 1097 N ASN A 74 -13.083 0.194 1.198 1.00 0.00 N ATOM 1098 CA ASN A 74 -13.260 -1.107 1.849 1.00 0.00 C ATOM 1099 C ASN A 74 -11.954 -1.798 2.273 1.00 0.00 C ATOM 1100 O ASN A 74 -11.632 -2.878 1.773 1.00 0.00 O ATOM 1101 CB ASN A 74 -14.128 -1.993 0.931 1.00 0.00 C ATOM 1102 CG ASN A 74 -14.804 -3.097 1.728 1.00 0.00 C ATOM 1103 OD1 ASN A 74 -15.540 -2.798 2.669 1.00 0.00 O ATOM 1104 ND2 ASN A 74 -14.622 -4.356 1.388 1.00 0.00 N ATOM 0 H ASN A 74 -13.898 0.786 1.357 1.00 0.00 H new ATOM 0 HA ASN A 74 -13.767 -0.938 2.799 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.882 -1.382 0.436 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.508 -2.431 0.148 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.093 -5.097 1.906 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.010 -4.590 0.606 1.00 0.00 H new ATOM 1111 N ALA A 75 -11.177 -1.155 3.155 1.00 0.00 N ATOM 1112 CA ALA A 75 -9.873 -1.637 3.613 1.00 0.00 C ATOM 1113 C ALA A 75 -9.260 -0.771 4.716 1.00 0.00 C ATOM 1114 O ALA A 75 -8.549 -1.303 5.565 1.00 0.00 O ATOM 1115 CB ALA A 75 -8.881 -1.629 2.445 1.00 0.00 C ATOM 0 H ALA A 75 -11.446 -0.266 3.577 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.048 -2.638 4.007 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.911 -1.988 2.789 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -9.248 -2.279 1.651 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.777 -0.613 2.063 1.00 0.00 H new ATOM 1121 N PHE A 76 -9.483 0.550 4.700 1.00 0.00 N ATOM 1122 CA PHE A 76 -8.840 1.508 5.608 1.00 0.00 C ATOM 1123 C PHE A 76 -9.029 1.130 7.069 1.00 0.00 C ATOM 1124 O PHE A 76 -8.116 1.298 7.872 1.00 0.00 O ATOM 1125 CB PHE A 76 -9.397 2.912 5.339 1.00 0.00 C ATOM 1126 CG PHE A 76 -9.108 3.989 6.373 1.00 0.00 C ATOM 1127 CD1 PHE A 76 -7.828 4.570 6.471 1.00 0.00 C ATOM 1128 CD2 PHE A 76 -10.149 4.470 7.187 1.00 0.00 C ATOM 1129 CE1 PHE A 76 -7.606 5.662 7.333 1.00 0.00 C ATOM 1130 CE2 PHE A 76 -9.932 5.561 8.047 1.00 0.00 C ATOM 1131 CZ PHE A 76 -8.667 6.172 8.108 1.00 0.00 C ATOM 0 H PHE A 76 -10.127 0.990 4.043 1.00 0.00 H new ATOM 0 HA PHE A 76 -7.767 1.492 5.415 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -9.005 3.252 4.380 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -10.479 2.830 5.231 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -7.013 4.176 5.882 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -11.120 3.999 7.151 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -6.624 6.108 7.400 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.739 5.931 8.662 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.509 7.029 8.746 1.00 0.00 H new ATOM 1141 N GLU A 77 -10.201 0.616 7.405 1.00 0.00 N ATOM 1142 CA GLU A 77 -10.558 0.257 8.764 1.00 0.00 C ATOM 1143 C GLU A 77 -9.786 -0.990 9.201 1.00 0.00 C ATOM 1144 O GLU A 77 -9.345 -1.090 10.343 1.00 0.00 O ATOM 1145 CB GLU A 77 -12.067 0.046 8.806 1.00 0.00 C ATOM 1146 CG GLU A 77 -12.815 1.344 8.458 1.00 0.00 C ATOM 1147 CD GLU A 77 -14.277 1.057 8.154 1.00 0.00 C ATOM 1148 OE1 GLU A 77 -14.558 0.693 6.991 1.00 0.00 O ATOM 1149 OE2 GLU A 77 -15.104 1.173 9.089 1.00 0.00 O ATOM 0 H GLU A 77 -10.942 0.434 6.728 1.00 0.00 H new ATOM 0 HA GLU A 77 -10.290 1.048 9.464 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -12.348 -0.739 8.104 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.363 -0.293 9.799 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -12.742 2.046 9.289 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -12.346 1.820 7.597 1.00 0.00 H new ATOM 1156 N THR A 78 -9.540 -1.917 8.278 1.00 0.00 N ATOM 1157 CA THR A 78 -8.782 -3.125 8.564 1.00 0.00 C ATOM 1158 C THR A 78 -7.264 -2.839 8.588 1.00 0.00 C ATOM 1159 O THR A 78 -6.500 -3.643 9.117 1.00 0.00 O ATOM 1160 CB THR A 78 -9.189 -4.233 7.570 1.00 0.00 C ATOM 1161 OG1 THR A 78 -10.547 -4.100 7.162 1.00 0.00 O ATOM 1162 CG2 THR A 78 -9.064 -5.610 8.217 1.00 0.00 C ATOM 0 H THR A 78 -9.862 -1.849 7.313 1.00 0.00 H new ATOM 0 HA THR A 78 -9.022 -3.486 9.564 1.00 0.00 H new ATOM 0 HB THR A 78 -8.523 -4.134 6.713 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.771 -4.816 6.532 1.00 0.00 H new ATOM 0 HG21 THR A 78 -9.356 -6.377 7.499 1.00 0.00 H new ATOM 0 HG22 THR A 78 -8.031 -5.775 8.525 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.716 -5.663 9.089 1.00 0.00 H new ATOM 1170 N LEU A 79 -6.813 -1.683 8.075 1.00 0.00 N ATOM 1171 CA LEU A 79 -5.423 -1.238 8.202 1.00 0.00 C ATOM 1172 C LEU A 79 -5.150 -0.856 9.651 1.00 0.00 C ATOM 1173 O LEU A 79 -4.287 -1.432 10.304 1.00 0.00 O ATOM 1174 CB LEU A 79 -5.102 -0.097 7.216 1.00 0.00 C ATOM 1175 CG LEU A 79 -5.019 -0.583 5.750 1.00 0.00 C ATOM 1176 CD1 LEU A 79 -4.927 0.609 4.785 1.00 0.00 C ATOM 1177 CD2 LEU A 79 -3.823 -1.518 5.479 1.00 0.00 C ATOM 0 H LEU A 79 -7.406 -1.032 7.560 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.755 -2.056 7.934 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.868 0.674 7.296 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.155 0.364 7.496 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.935 -1.150 5.581 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.870 0.244 3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.811 1.237 4.897 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.035 1.193 5.012 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.827 -1.820 4.432 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -2.894 -0.994 5.702 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.902 -2.402 6.112 1.00 0.00 H new ATOM 1189 N LYS A 80 -5.924 0.081 10.190 1.00 0.00 N ATOM 1190 CA LYS A 80 -5.860 0.459 11.591 1.00 0.00 C ATOM 1191 C LYS A 80 -6.176 -0.690 12.542 1.00 0.00 C ATOM 1192 O LYS A 80 -5.602 -0.717 13.630 1.00 0.00 O ATOM 1193 CB LYS A 80 -6.751 1.672 11.841 1.00 0.00 C ATOM 1194 CG LYS A 80 -8.142 1.687 11.177 1.00 0.00 C ATOM 1195 CD LYS A 80 -8.589 3.081 10.729 1.00 0.00 C ATOM 1196 CE LYS A 80 -7.583 3.659 9.733 1.00 0.00 C ATOM 1197 NZ LYS A 80 -6.758 4.750 10.304 1.00 0.00 N ATOM 0 H LYS A 80 -6.620 0.603 9.657 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.827 0.730 11.810 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -6.892 1.769 12.918 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -6.211 2.559 11.509 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -8.131 1.022 10.313 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -8.875 1.287 11.878 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -9.576 3.025 10.270 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.676 3.739 11.594 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.928 2.861 9.384 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -8.119 4.035 8.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.842 5.598 9.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -7.089 4.969 11.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.763 4.450 10.340 1.00 0.00 H new ATOM 1211 N ALA A 81 -6.996 -1.660 12.136 1.00 0.00 N ATOM 1212 CA ALA A 81 -7.211 -2.879 12.906 1.00 0.00 C ATOM 1213 C ALA A 81 -5.870 -3.532 13.235 1.00 0.00 C ATOM 1214 O ALA A 81 -5.575 -3.741 14.414 1.00 0.00 O ATOM 1215 CB ALA A 81 -8.131 -3.855 12.170 1.00 0.00 C ATOM 0 H ALA A 81 -7.527 -1.620 11.266 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.709 -2.610 13.838 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.268 -4.752 12.774 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.098 -3.383 11.996 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.683 -4.127 11.214 1.00 0.00 H new ATOM 1221 N ALA A 82 -5.025 -3.783 12.228 1.00 0.00 N ATOM 1222 CA ALA A 82 -3.699 -4.336 12.477 1.00 0.00 C ATOM 1223 C ALA A 82 -2.669 -3.227 12.773 1.00 0.00 C ATOM 1224 O ALA A 82 -1.472 -3.412 12.544 1.00 0.00 O ATOM 1225 CB ALA A 82 -3.312 -5.111 11.205 1.00 0.00 C ATOM 0 H ALA A 82 -5.237 -3.612 11.245 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.710 -4.983 13.354 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.323 -5.550 11.333 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -4.040 -5.903 11.026 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.299 -4.430 10.354 1.00 0.00 H new ATOM 1231 N GLY A 83 -3.088 -2.165 13.461 1.00 0.00 N ATOM 1232 CA GLY A 83 -2.318 -0.975 13.801 1.00 0.00 C ATOM 1233 C GLY A 83 -1.362 -0.466 12.720 1.00 0.00 C ATOM 1234 O GLY A 83 -0.266 -0.017 13.057 1.00 0.00 O ATOM 0 H GLY A 83 -4.042 -2.113 13.819 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.014 -0.174 14.049 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -1.740 -1.185 14.701 1.00 0.00 H new ATOM 1238 N VAL A 84 -1.718 -0.552 11.438 1.00 0.00 N ATOM 1239 CA VAL A 84 -0.793 -0.268 10.346 1.00 0.00 C ATOM 1240 C VAL A 84 -0.809 1.222 10.026 1.00 0.00 C ATOM 1241 O VAL A 84 -1.879 1.836 9.947 1.00 0.00 O ATOM 1242 CB VAL A 84 -1.127 -1.144 9.121 1.00 0.00 C ATOM 1243 CG1 VAL A 84 0.003 -1.115 8.082 1.00 0.00 C ATOM 1244 CG2 VAL A 84 -1.324 -2.613 9.506 1.00 0.00 C ATOM 0 H VAL A 84 -2.653 -0.820 11.130 1.00 0.00 H new ATOM 0 HA VAL A 84 0.223 -0.522 10.648 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.047 -0.728 8.709 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.267 -1.743 7.233 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.158 -0.091 7.741 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.922 -1.490 8.533 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.557 -3.195 8.614 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.410 -2.996 9.960 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.145 -2.696 10.218 1.00 0.00 H new ATOM 1254 N LYS A 85 0.374 1.810 9.810 1.00 0.00 N ATOM 1255 CA LYS A 85 0.481 3.186 9.343 1.00 0.00 C ATOM 1256 C LYS A 85 0.231 3.242 7.832 1.00 0.00 C ATOM 1257 O LYS A 85 0.320 2.224 7.150 1.00 0.00 O ATOM 1258 CB LYS A 85 1.864 3.764 9.710 1.00 0.00 C ATOM 1259 CG LYS A 85 1.786 4.699 10.929 1.00 0.00 C ATOM 1260 CD LYS A 85 3.184 4.914 11.520 1.00 0.00 C ATOM 1261 CE LYS A 85 3.208 5.893 12.705 1.00 0.00 C ATOM 1262 NZ LYS A 85 4.248 5.547 13.698 1.00 0.00 N ATOM 0 H LYS A 85 1.271 1.347 9.954 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.276 3.798 9.834 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.555 2.948 9.921 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.268 4.311 8.858 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.356 5.657 10.635 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.126 4.271 11.683 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.583 3.953 11.845 1.00 0.00 H new ATOM 0 HD3 LYS A 85 3.846 5.286 10.738 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.384 6.903 12.335 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.232 5.896 13.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.226 6.235 14.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.067 4.594 14.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.183 5.569 13.243 1.00 0.00 H new ATOM 1276 N VAL A 86 -0.066 4.417 7.289 1.00 0.00 N ATOM 1277 CA VAL A 86 -0.336 4.659 5.873 1.00 0.00 C ATOM 1278 C VAL A 86 0.348 5.993 5.575 1.00 0.00 C ATOM 1279 O VAL A 86 0.272 6.908 6.392 1.00 0.00 O ATOM 1280 CB VAL A 86 -1.857 4.728 5.627 1.00 0.00 C ATOM 1281 CG1 VAL A 86 -2.175 5.008 4.148 1.00 0.00 C ATOM 1282 CG2 VAL A 86 -2.516 3.392 5.995 1.00 0.00 C ATOM 0 H VAL A 86 -0.128 5.268 7.848 1.00 0.00 H new ATOM 0 HA VAL A 86 0.037 3.866 5.225 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.243 5.537 6.247 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.255 5.050 4.010 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.734 5.961 3.855 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.761 4.211 3.530 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.589 3.454 5.817 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.092 2.596 5.382 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -2.335 3.175 7.048 1.00 0.00 H new ATOM 1292 N TYR A 87 1.003 6.124 4.429 1.00 0.00 N ATOM 1293 CA TYR A 87 1.590 7.338 3.914 1.00 0.00 C ATOM 1294 C TYR A 87 0.885 7.732 2.634 1.00 0.00 C ATOM 1295 O TYR A 87 0.409 6.869 1.907 1.00 0.00 O ATOM 1296 CB TYR A 87 3.079 7.101 3.621 1.00 0.00 C ATOM 1297 CG TYR A 87 4.006 7.384 4.786 1.00 0.00 C ATOM 1298 CD1 TYR A 87 3.984 6.606 5.958 1.00 0.00 C ATOM 1299 CD2 TYR A 87 4.908 8.451 4.691 1.00 0.00 C ATOM 1300 CE1 TYR A 87 4.900 6.868 6.992 1.00 0.00 C ATOM 1301 CE2 TYR A 87 5.829 8.724 5.710 1.00 0.00 C ATOM 1302 CZ TYR A 87 5.847 7.908 6.860 1.00 0.00 C ATOM 1303 OH TYR A 87 6.773 8.100 7.834 1.00 0.00 O ATOM 0 H TYR A 87 1.143 5.332 3.801 1.00 0.00 H new ATOM 0 HA TYR A 87 1.485 8.135 4.651 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.214 6.065 3.310 1.00 0.00 H new ATOM 0 HB3 TYR A 87 3.374 7.727 2.779 1.00 0.00 H new ATOM 0 HD1 TYR A 87 3.264 5.808 6.063 1.00 0.00 H new ATOM 0 HD2 TYR A 87 4.893 9.078 3.812 1.00 0.00 H new ATOM 0 HE1 TYR A 87 4.880 6.271 7.892 1.00 0.00 H new ATOM 0 HE2 TYR A 87 6.518 9.550 5.616 1.00 0.00 H new ATOM 0 HH TYR A 87 7.351 8.854 7.592 1.00 0.00 H new ATOM 1313 N ARG A 88 0.945 9.018 2.316 1.00 0.00 N ATOM 1314 CA ARG A 88 0.585 9.577 1.029 1.00 0.00 C ATOM 1315 C ARG A 88 1.780 9.275 0.141 1.00 0.00 C ATOM 1316 O ARG A 88 2.906 9.433 0.595 1.00 0.00 O ATOM 1317 CB ARG A 88 0.432 11.105 1.175 1.00 0.00 C ATOM 1318 CG ARG A 88 0.000 11.845 -0.108 1.00 0.00 C ATOM 1319 CD ARG A 88 -1.497 12.160 -0.184 1.00 0.00 C ATOM 1320 NE ARG A 88 -1.894 13.180 0.809 1.00 0.00 N ATOM 1321 CZ ARG A 88 -2.886 14.076 0.704 1.00 0.00 C ATOM 1322 NH1 ARG A 88 -3.582 14.222 -0.420 1.00 0.00 N ATOM 1323 NH2 ARG A 88 -3.182 14.823 1.756 1.00 0.00 N ATOM 0 H ARG A 88 1.260 9.726 2.979 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.346 9.173 0.632 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -0.300 11.308 1.957 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.382 11.519 1.512 1.00 0.00 H new ATOM 0 HG2 ARG A 88 0.559 12.778 -0.180 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.276 11.240 -0.972 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -1.744 12.512 -1.186 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.069 11.248 -0.017 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.352 13.205 1.673 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.366 13.644 -1.232 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -4.331 14.912 -0.470 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.659 14.711 2.625 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.933 15.511 1.698 1.00 0.00 H new ATOM 1337 N PHE A 89 1.539 8.892 -1.105 1.00 0.00 N ATOM 1338 CA PHE A 89 2.489 9.030 -2.199 1.00 0.00 C ATOM 1339 C PHE A 89 1.785 9.918 -3.226 1.00 0.00 C ATOM 1340 O PHE A 89 0.555 10.036 -3.175 1.00 0.00 O ATOM 1341 CB PHE A 89 2.918 7.638 -2.715 1.00 0.00 C ATOM 1342 CG PHE A 89 2.588 7.342 -4.173 1.00 0.00 C ATOM 1343 CD1 PHE A 89 1.235 7.187 -4.530 1.00 0.00 C ATOM 1344 CD2 PHE A 89 3.574 7.239 -5.175 1.00 0.00 C ATOM 1345 CE1 PHE A 89 0.842 7.019 -5.867 1.00 0.00 C ATOM 1346 CE2 PHE A 89 3.179 7.034 -6.502 1.00 0.00 C ATOM 1347 CZ PHE A 89 1.824 6.945 -6.865 1.00 0.00 C ATOM 0 H PHE A 89 0.657 8.467 -1.390 1.00 0.00 H new ATOM 0 HA PHE A 89 3.431 9.498 -1.913 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.994 7.536 -2.578 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.444 6.879 -2.093 1.00 0.00 H new ATOM 0 HD1 PHE A 89 0.481 7.198 -3.757 1.00 0.00 H new ATOM 0 HD2 PHE A 89 4.621 7.317 -4.922 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.205 6.948 -6.124 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.935 6.942 -7.267 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.543 6.821 -7.900 1.00 0.00 H new ATOM 1357 N GLU A 90 2.509 10.531 -4.158 1.00 0.00 N ATOM 1358 CA GLU A 90 1.885 11.377 -5.161 1.00 0.00 C ATOM 1359 C GLU A 90 2.613 11.256 -6.497 1.00 0.00 C ATOM 1360 O GLU A 90 3.413 12.109 -6.892 1.00 0.00 O ATOM 1361 CB GLU A 90 1.786 12.819 -4.659 1.00 0.00 C ATOM 1362 CG GLU A 90 0.698 13.540 -5.457 1.00 0.00 C ATOM 1363 CD GLU A 90 0.935 15.041 -5.520 1.00 0.00 C ATOM 1364 OE1 GLU A 90 0.862 15.695 -4.456 1.00 0.00 O ATOM 1365 OE2 GLU A 90 1.222 15.535 -6.635 1.00 0.00 O ATOM 0 H GLU A 90 3.523 10.456 -4.237 1.00 0.00 H new ATOM 0 HA GLU A 90 0.864 11.036 -5.334 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.548 12.834 -3.595 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.743 13.328 -4.778 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.663 13.136 -6.469 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -0.273 13.345 -5.003 1.00 0.00 H new ATOM 1372 N GLY A 91 2.298 10.183 -7.213 1.00 0.00 N ATOM 1373 CA GLY A 91 2.853 9.889 -8.521 1.00 0.00 C ATOM 1374 C GLY A 91 4.262 9.329 -8.381 1.00 0.00 C ATOM 1375 O GLY A 91 5.044 9.773 -7.538 1.00 0.00 O ATOM 0 H GLY A 91 1.634 9.480 -6.889 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.218 9.171 -9.040 1.00 0.00 H new ATOM 0 HA3 GLY A 91 2.872 10.794 -9.128 1.00 0.00 H new ATOM 1379 N GLY A 92 4.584 8.323 -9.191 1.00 0.00 N ATOM 1380 CA GLY A 92 5.853 7.637 -9.101 1.00 0.00 C ATOM 1381 C GLY A 92 5.742 6.183 -9.523 1.00 0.00 C ATOM 1382 O GLY A 92 4.650 5.611 -9.606 1.00 0.00 O ATOM 0 H GLY A 92 3.969 7.968 -9.923 1.00 0.00 H new ATOM 0 HA2 GLY A 92 6.585 8.143 -9.731 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.223 7.691 -8.077 1.00 0.00 H new ATOM 1386 N THR A 93 6.900 5.575 -9.739 1.00 0.00 N ATOM 1387 CA THR A 93 7.034 4.137 -9.828 1.00 0.00 C ATOM 1388 C THR A 93 7.214 3.552 -8.431 1.00 0.00 C ATOM 1389 O THR A 93 7.364 4.296 -7.461 1.00 0.00 O ATOM 1390 CB THR A 93 8.205 3.789 -10.750 1.00 0.00 C ATOM 1391 OG1 THR A 93 9.390 4.458 -10.359 1.00 0.00 O ATOM 1392 CG2 THR A 93 7.894 4.146 -12.202 1.00 0.00 C ATOM 0 H THR A 93 7.780 6.077 -9.858 1.00 0.00 H new ATOM 0 HA THR A 93 6.132 3.700 -10.256 1.00 0.00 H new ATOM 0 HB THR A 93 8.357 2.713 -10.667 1.00 0.00 H new ATOM 0 HG1 THR A 93 10.119 4.213 -10.966 1.00 0.00 H new ATOM 0 HG21 THR A 93 8.746 3.886 -12.831 1.00 0.00 H new ATOM 0 HG22 THR A 93 7.016 3.591 -12.533 1.00 0.00 H new ATOM 0 HG23 THR A 93 7.698 5.215 -12.280 1.00 0.00 H new ATOM 1400 N VAL A 94 7.191 2.222 -8.304 1.00 0.00 N ATOM 1401 CA VAL A 94 7.406 1.530 -7.039 1.00 0.00 C ATOM 1402 C VAL A 94 8.603 2.112 -6.287 1.00 0.00 C ATOM 1403 O VAL A 94 8.476 2.320 -5.087 1.00 0.00 O ATOM 1404 CB VAL A 94 7.466 0.009 -7.266 1.00 0.00 C ATOM 1405 CG1 VAL A 94 7.838 -0.766 -5.999 1.00 0.00 C ATOM 1406 CG2 VAL A 94 6.100 -0.498 -7.745 1.00 0.00 C ATOM 0 H VAL A 94 7.020 1.592 -9.088 1.00 0.00 H new ATOM 0 HA VAL A 94 6.555 1.698 -6.379 1.00 0.00 H new ATOM 0 HB VAL A 94 8.241 -0.162 -8.014 1.00 0.00 H new ATOM 0 HG11 VAL A 94 7.865 -1.833 -6.220 1.00 0.00 H new ATOM 0 HG12 VAL A 94 8.819 -0.443 -5.650 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.096 -0.574 -5.224 1.00 0.00 H new ATOM 0 HG21 VAL A 94 6.147 -1.575 -7.904 1.00 0.00 H new ATOM 0 HG22 VAL A 94 5.345 -0.275 -6.991 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.836 -0.004 -8.680 1.00 0.00 H new ATOM 1416 N GLN A 95 9.711 2.447 -6.956 1.00 0.00 N ATOM 1417 CA GLN A 95 10.869 3.007 -6.276 1.00 0.00 C ATOM 1418 C GLN A 95 10.627 4.375 -5.650 1.00 0.00 C ATOM 1419 O GLN A 95 11.164 4.635 -4.583 1.00 0.00 O ATOM 1420 CB GLN A 95 12.074 3.067 -7.224 1.00 0.00 C ATOM 1421 CG GLN A 95 13.361 3.356 -6.433 1.00 0.00 C ATOM 1422 CD GLN A 95 14.638 2.831 -7.080 1.00 0.00 C ATOM 1423 OE1 GLN A 95 14.677 2.390 -8.229 1.00 0.00 O ATOM 1424 NE2 GLN A 95 15.714 2.791 -6.319 1.00 0.00 N ATOM 0 H GLN A 95 9.824 2.338 -7.964 1.00 0.00 H new ATOM 0 HA GLN A 95 11.077 2.329 -5.448 1.00 0.00 H new ATOM 0 HB2 GLN A 95 12.172 2.122 -7.759 1.00 0.00 H new ATOM 0 HB3 GLN A 95 11.918 3.843 -7.973 1.00 0.00 H new ATOM 0 HG2 GLN A 95 13.454 4.434 -6.299 1.00 0.00 H new ATOM 0 HG3 GLN A 95 13.267 2.918 -5.439 1.00 0.00 H new ATOM 0 HE21 GLN A 95 15.680 3.157 -5.367 1.00 0.00 H new ATOM 0 HE22 GLN A 95 16.581 2.394 -6.682 1.00 0.00 H new ATOM 1433 N GLU A 96 9.827 5.227 -6.271 1.00 0.00 N ATOM 1434 CA GLU A 96 9.562 6.596 -5.867 1.00 0.00 C ATOM 1435 C GLU A 96 8.798 6.575 -4.564 1.00 0.00 C ATOM 1436 O GLU A 96 9.143 7.332 -3.675 1.00 0.00 O ATOM 1437 CB GLU A 96 8.687 7.278 -6.915 1.00 0.00 C ATOM 1438 CG GLU A 96 9.369 7.564 -8.256 1.00 0.00 C ATOM 1439 CD GLU A 96 10.447 8.651 -8.200 1.00 0.00 C ATOM 1440 OE1 GLU A 96 10.316 9.612 -7.416 1.00 0.00 O ATOM 1441 OE2 GLU A 96 11.398 8.569 -9.010 1.00 0.00 O ATOM 0 H GLU A 96 9.318 4.967 -7.116 1.00 0.00 H new ATOM 0 HA GLU A 96 10.505 7.132 -5.759 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.814 6.652 -7.097 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.324 8.220 -6.503 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.819 6.642 -8.625 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.610 7.860 -8.980 1.00 0.00 H new ATOM 1448 N ALA A 97 7.807 5.690 -4.402 1.00 0.00 N ATOM 1449 CA ALA A 97 7.155 5.500 -3.119 1.00 0.00 C ATOM 1450 C ALA A 97 8.172 5.355 -1.974 1.00 0.00 C ATOM 1451 O ALA A 97 7.966 5.884 -0.885 1.00 0.00 O ATOM 1452 CB ALA A 97 6.240 4.275 -3.247 1.00 0.00 C ATOM 0 H ALA A 97 7.445 5.098 -5.150 1.00 0.00 H new ATOM 0 HA ALA A 97 6.563 6.378 -2.862 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.731 4.100 -2.299 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.501 4.453 -4.028 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.837 3.400 -3.505 1.00 0.00 H new ATOM 1458 N ILE A 98 9.274 4.655 -2.217 1.00 0.00 N ATOM 1459 CA ILE A 98 10.266 4.309 -1.212 1.00 0.00 C ATOM 1460 C ILE A 98 11.245 5.455 -1.106 1.00 0.00 C ATOM 1461 O ILE A 98 11.477 5.934 -0.016 1.00 0.00 O ATOM 1462 CB ILE A 98 11.048 3.041 -1.608 1.00 0.00 C ATOM 1463 CG1 ILE A 98 10.208 2.042 -2.387 1.00 0.00 C ATOM 1464 CG2 ILE A 98 11.719 2.390 -0.386 1.00 0.00 C ATOM 1465 CD1 ILE A 98 8.916 1.578 -1.722 1.00 0.00 C ATOM 0 H ILE A 98 9.506 4.304 -3.146 1.00 0.00 H new ATOM 0 HA ILE A 98 9.757 4.122 -0.267 1.00 0.00 H new ATOM 0 HB ILE A 98 11.835 3.366 -2.288 1.00 0.00 H new ATOM 0 HG12 ILE A 98 9.956 2.485 -3.351 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.822 1.165 -2.590 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.262 1.499 -0.701 1.00 0.00 H new ATOM 0 HG22 ILE A 98 12.414 3.097 0.067 1.00 0.00 H new ATOM 0 HG23 ILE A 98 10.957 2.113 0.343 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.406 0.869 -2.374 1.00 0.00 H new ATOM 0 HD12 ILE A 98 9.148 1.096 -0.772 1.00 0.00 H new ATOM 0 HD13 ILE A 98 8.269 2.437 -1.544 1.00 0.00 H new ATOM 1477 N ASP A 99 11.834 5.896 -2.210 1.00 0.00 N ATOM 1478 CA ASP A 99 12.827 6.961 -2.306 1.00 0.00 C ATOM 1479 C ASP A 99 12.252 8.265 -1.788 1.00 0.00 C ATOM 1480 O ASP A 99 12.978 9.103 -1.250 1.00 0.00 O ATOM 1481 CB ASP A 99 13.300 7.108 -3.767 1.00 0.00 C ATOM 1482 CG ASP A 99 14.560 6.293 -4.079 1.00 0.00 C ATOM 1483 OD1 ASP A 99 15.104 5.612 -3.170 1.00 0.00 O ATOM 1484 OD2 ASP A 99 15.008 6.303 -5.246 1.00 0.00 O ATOM 0 H ASP A 99 11.618 5.494 -3.122 1.00 0.00 H new ATOM 0 HA ASP A 99 13.688 6.703 -1.689 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.498 6.795 -4.435 1.00 0.00 H new ATOM 0 HB3 ASP A 99 13.495 8.160 -3.975 1.00 0.00 H new ATOM 1489 N ALA A 100 10.933 8.402 -1.881 1.00 0.00 N ATOM 1490 CA ALA A 100 10.233 9.506 -1.274 1.00 0.00 C ATOM 1491 C ALA A 100 10.166 9.273 0.243 1.00 0.00 C ATOM 1492 O ALA A 100 10.684 10.085 1.000 1.00 0.00 O ATOM 1493 CB ALA A 100 8.878 9.691 -1.959 1.00 0.00 C ATOM 0 H ALA A 100 10.330 7.748 -2.380 1.00 0.00 H new ATOM 0 HA ALA A 100 10.759 10.450 -1.414 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.349 10.526 -1.500 1.00 0.00 H new ATOM 0 HB2 ALA A 100 9.031 9.897 -3.018 1.00 0.00 H new ATOM 0 HB3 ALA A 100 8.287 8.782 -1.848 1.00 0.00 H new ATOM 1499 N PHE A 101 9.561 8.173 0.709 1.00 0.00 N ATOM 1500 CA PHE A 101 9.405 7.870 2.138 1.00 0.00 C ATOM 1501 C PHE A 101 10.731 7.861 2.899 1.00 0.00 C ATOM 1502 O PHE A 101 10.833 8.447 3.976 1.00 0.00 O ATOM 1503 CB PHE A 101 8.701 6.511 2.301 1.00 0.00 C ATOM 1504 CG PHE A 101 8.950 5.799 3.625 1.00 0.00 C ATOM 1505 CD1 PHE A 101 8.403 6.302 4.821 1.00 0.00 C ATOM 1506 CD2 PHE A 101 9.772 4.654 3.671 1.00 0.00 C ATOM 1507 CE1 PHE A 101 8.675 5.673 6.052 1.00 0.00 C ATOM 1508 CE2 PHE A 101 10.041 4.025 4.899 1.00 0.00 C ATOM 1509 CZ PHE A 101 9.505 4.539 6.092 1.00 0.00 C ATOM 0 H PHE A 101 9.162 7.460 0.098 1.00 0.00 H new ATOM 0 HA PHE A 101 8.801 8.668 2.570 1.00 0.00 H new ATOM 0 HB2 PHE A 101 7.628 6.661 2.185 1.00 0.00 H new ATOM 0 HB3 PHE A 101 9.021 5.856 1.490 1.00 0.00 H new ATOM 0 HD1 PHE A 101 7.770 7.177 4.795 1.00 0.00 H new ATOM 0 HD2 PHE A 101 10.196 4.259 2.760 1.00 0.00 H new ATOM 0 HE1 PHE A 101 8.246 6.062 6.964 1.00 0.00 H new ATOM 0 HE2 PHE A 101 10.663 3.142 4.926 1.00 0.00 H new ATOM 0 HZ PHE A 101 9.730 4.065 7.036 1.00 0.00 H new ATOM 1519 N SER A 102 11.713 7.144 2.369 1.00 0.00 N ATOM 1520 CA SER A 102 12.974 6.815 3.011 1.00 0.00 C ATOM 1521 C SER A 102 13.812 8.075 3.216 1.00 0.00 C ATOM 1522 O SER A 102 14.591 8.150 4.166 1.00 0.00 O ATOM 1523 CB SER A 102 13.694 5.753 2.170 1.00 0.00 C ATOM 1524 OG SER A 102 13.921 6.192 0.846 1.00 0.00 O ATOM 0 H SER A 102 11.645 6.756 1.428 1.00 0.00 H new ATOM 0 HA SER A 102 12.800 6.398 4.003 1.00 0.00 H new ATOM 0 HB2 SER A 102 14.646 5.504 2.638 1.00 0.00 H new ATOM 0 HB3 SER A 102 13.099 4.840 2.152 1.00 0.00 H new ATOM 0 HG SER A 102 13.104 6.073 0.317 1.00 0.00 H new ATOM 1530 N GLU A 103 13.591 9.092 2.381 1.00 0.00 N ATOM 1531 CA GLU A 103 14.217 10.398 2.467 1.00 0.00 C ATOM 1532 C GLU A 103 13.125 11.418 2.816 1.00 0.00 C ATOM 1533 O GLU A 103 13.196 12.595 2.453 1.00 0.00 O ATOM 1534 CB GLU A 103 14.872 10.681 1.101 1.00 0.00 C ATOM 1535 CG GLU A 103 15.825 9.577 0.592 1.00 0.00 C ATOM 1536 CD GLU A 103 17.207 9.672 1.232 1.00 0.00 C ATOM 1537 OE1 GLU A 103 17.980 10.601 0.892 1.00 0.00 O ATOM 1538 OE2 GLU A 103 17.529 8.859 2.127 1.00 0.00 O ATOM 0 H GLU A 103 12.943 9.018 1.597 1.00 0.00 H new ATOM 0 HA GLU A 103 14.987 10.454 3.237 1.00 0.00 H new ATOM 0 HB2 GLU A 103 14.085 10.830 0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 103 15.427 11.617 1.168 1.00 0.00 H new ATOM 0 HG2 GLU A 103 15.393 8.599 0.806 1.00 0.00 H new ATOM 0 HG3 GLU A 103 15.921 9.653 -0.491 1.00 0.00 H new ATOM 1545 N GLY A 104 12.187 10.998 3.665 1.00 0.00 N ATOM 1546 CA GLY A 104 11.178 11.782 4.347 1.00 0.00 C ATOM 1547 C GLY A 104 10.266 12.639 3.471 1.00 0.00 C ATOM 1548 O GLY A 104 9.448 13.367 4.031 1.00 0.00 O ATOM 0 H GLY A 104 12.115 10.010 3.909 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.553 11.102 4.926 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.680 12.437 5.059 1.00 0.00 H new ATOM 1552 N ARG A 105 10.318 12.560 2.134 1.00 0.00 N ATOM 1553 CA ARG A 105 9.496 13.372 1.235 1.00 0.00 C ATOM 1554 C ARG A 105 8.078 12.805 1.107 1.00 0.00 C ATOM 1555 O ARG A 105 7.456 12.971 0.057 1.00 0.00 O ATOM 1556 CB ARG A 105 10.114 13.328 -0.184 1.00 0.00 C ATOM 1557 CG ARG A 105 11.476 13.993 -0.401 1.00 0.00 C ATOM 1558 CD ARG A 105 11.805 14.042 -1.907 1.00 0.00 C ATOM 1559 NE ARG A 105 11.900 15.410 -2.453 1.00 0.00 N ATOM 1560 CZ ARG A 105 11.019 16.416 -2.349 1.00 0.00 C ATOM 1561 NH1 ARG A 105 9.787 16.214 -1.881 1.00 0.00 N ATOM 1562 NH2 ARG A 105 11.399 17.634 -2.710 1.00 0.00 N ATOM 0 H ARG A 105 10.942 11.920 1.643 1.00 0.00 H new ATOM 0 HA ARG A 105 9.459 14.382 1.644 1.00 0.00 H new ATOM 0 HB2 ARG A 105 10.204 12.282 -0.476 1.00 0.00 H new ATOM 0 HB3 ARG A 105 9.405 13.790 -0.871 1.00 0.00 H new ATOM 0 HG2 ARG A 105 11.467 15.002 0.011 1.00 0.00 H new ATOM 0 HG3 ARG A 105 12.249 13.439 0.131 1.00 0.00 H new ATOM 0 HD2 ARG A 105 12.749 13.526 -2.080 1.00 0.00 H new ATOM 0 HD3 ARG A 105 11.038 13.495 -2.455 1.00 0.00 H new ATOM 0 HE ARG A 105 12.749 15.618 -2.979 1.00 0.00 H new ATOM 0 HH11 ARG A 105 9.498 15.279 -1.593 1.00 0.00 H new ATOM 0 HH12 ARG A 105 9.134 16.994 -1.811 1.00 0.00 H new ATOM 0 HH21 ARG A 105 12.345 17.791 -3.058 1.00 0.00 H new ATOM 0 HH22 ARG A 105 10.746 18.414 -2.639 1.00 0.00 H new ATOM 1576 N LEU A 106 7.482 12.255 2.163 1.00 0.00 N ATOM 1577 CA LEU A 106 6.097 11.829 2.143 1.00 0.00 C ATOM 1578 C LEU A 106 5.460 12.151 3.499 1.00 0.00 C ATOM 1579 O LEU A 106 6.132 12.538 4.461 1.00 0.00 O ATOM 1580 CB LEU A 106 5.983 10.325 1.835 1.00 0.00 C ATOM 1581 CG LEU A 106 6.366 9.798 0.442 1.00 0.00 C ATOM 1582 CD1 LEU A 106 5.990 8.311 0.373 1.00 0.00 C ATOM 1583 CD2 LEU A 106 5.690 10.453 -0.776 1.00 0.00 C ATOM 0 H LEU A 106 7.952 12.095 3.054 1.00 0.00 H new ATOM 0 HA LEU A 106 5.570 12.364 1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.599 9.797 2.563 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.949 10.033 2.020 1.00 0.00 H new ATOM 0 HG LEU A 106 7.429 10.026 0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.253 7.914 -0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.532 7.763 1.143 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.918 8.199 0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.053 9.983 -1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.610 10.323 -0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.927 11.517 -0.795 1.00 0.00 H new ATOM 1595 N GLU A 107 4.150 11.939 3.585 1.00 0.00 N ATOM 1596 CA GLU A 107 3.265 12.408 4.643 1.00 0.00 C ATOM 1597 C GLU A 107 2.492 11.200 5.166 1.00 0.00 C ATOM 1598 O GLU A 107 2.207 10.305 4.380 1.00 0.00 O ATOM 1599 CB GLU A 107 2.289 13.427 4.029 1.00 0.00 C ATOM 1600 CG GLU A 107 2.994 14.560 3.258 1.00 0.00 C ATOM 1601 CD GLU A 107 3.925 15.411 4.135 1.00 0.00 C ATOM 1602 OE1 GLU A 107 3.511 15.848 5.236 1.00 0.00 O ATOM 1603 OE2 GLU A 107 5.077 15.676 3.723 1.00 0.00 O ATOM 0 H GLU A 107 3.650 11.404 2.875 1.00 0.00 H new ATOM 0 HA GLU A 107 3.819 12.877 5.456 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.609 12.907 3.355 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.681 13.861 4.823 1.00 0.00 H new ATOM 0 HG2 GLU A 107 3.572 14.128 2.441 1.00 0.00 H new ATOM 0 HG3 GLU A 107 2.240 15.206 2.808 1.00 0.00 H new ATOM 1610 N GLU A 108 2.114 11.143 6.443 1.00 0.00 N ATOM 1611 CA GLU A 108 1.437 9.991 7.030 1.00 0.00 C ATOM 1612 C GLU A 108 -0.066 10.172 6.829 1.00 0.00 C ATOM 1613 O GLU A 108 -0.695 10.974 7.517 1.00 0.00 O ATOM 1614 CB GLU A 108 1.883 9.839 8.497 1.00 0.00 C ATOM 1615 CG GLU A 108 2.126 8.377 8.868 1.00 0.00 C ATOM 1616 CD GLU A 108 2.574 8.240 10.321 1.00 0.00 C ATOM 1617 OE1 GLU A 108 1.707 8.127 11.214 1.00 0.00 O ATOM 1618 OE2 GLU A 108 3.803 8.239 10.570 1.00 0.00 O ATOM 0 H GLU A 108 2.272 11.904 7.104 1.00 0.00 H new ATOM 0 HA GLU A 108 1.705 9.052 6.545 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.796 10.412 8.661 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.121 10.259 9.154 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.213 7.803 8.711 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.885 7.954 8.210 1.00 0.00 H new ATOM 1625 N LEU A 109 -0.637 9.525 5.814 1.00 0.00 N ATOM 1626 CA LEU A 109 -2.047 9.611 5.456 1.00 0.00 C ATOM 1627 C LEU A 109 -2.869 8.653 6.329 1.00 0.00 C ATOM 1628 O LEU A 109 -3.558 7.762 5.826 1.00 0.00 O ATOM 1629 CB LEU A 109 -2.228 9.328 3.956 1.00 0.00 C ATOM 1630 CG LEU A 109 -3.671 9.614 3.470 1.00 0.00 C ATOM 1631 CD1 LEU A 109 -3.861 11.016 2.892 1.00 0.00 C ATOM 1632 CD2 LEU A 109 -4.122 8.577 2.464 1.00 0.00 C ATOM 0 H LEU A 109 -0.110 8.906 5.199 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.413 10.620 5.644 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -1.528 9.940 3.387 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.979 8.286 3.753 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.294 9.556 4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -4.896 11.141 2.574 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.623 11.759 3.654 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -3.199 11.149 2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -5.138 8.802 2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.455 8.592 1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.099 7.589 2.924 1.00 0.00 H new