USER MOD reduce.3.24.130724 H: found=0, std=0, add=950, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 948 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 37 CYS SG : rot -152:sc= -1.57 USER MOD Set 1.2: A 41 GLN : amide:sc= -1.68! C(o=-3.3!,f=-2.6!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -1.97! C(o=-2!,f=-8.6!) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0467 USER MOD Single : A 16 ASN : amide:sc= -1.88 K(o=-1.9,f=-4.7!) USER MOD Single : A 26 MET CE :methyl 179:sc= -0.0201 (180deg=-0.0203) USER MOD Single : A 30 TYR OH : rot -67:sc= 0.00107 USER MOD Single : A 34 CYS SG : rot 180:sc= -0.613 USER MOD Single : A 38 GLN : amide:sc= -1.52 K(o=-1.5,f=-2.4) USER MOD Single : A 39 ASN : amide:sc= -0.797 X(o=-0.8,f=-0.61) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0.0708 X(o=0.071,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 176:sc= -0.792 (180deg=-0.835) USER MOD Single : A 64 THR OG1 : rot -83:sc= 0.986 USER MOD Single : A 66 GLN : amide:sc= -0.0766 K(o=-0.077,f=-0.81) USER MOD Single : A 70 SER OG : rot 81:sc= 0.658 USER MOD Single : A 76 ASN : amide:sc= 0.345 K(o=0.35,f=-10!) USER MOD Single : A 80 THR OG1 : rot 100:sc= 1.18 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= -1.47 K(o=-1.5,f=-0.58) USER MOD Single : A 84 CYS SG : rot 116:sc= -1.81! USER MOD Single : A 85 LYS NZ :NH3+ 161:sc= 0.134 (180deg=-0.257) USER MOD Single : A 92 TYR OH : rot 180:sc= -0.0861 USER MOD Single : A 93 GLN : amide:sc= -0.0656 K(o=-0.066,f=-2!) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.216 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.553 X(o=-0.55,f=-0.38) USER MOD Single : A 106 SER OG : rot 180:sc= -0.133 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 142:sc= -1.62 (180deg=-2.13) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 67:sc= 0.584 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot -100:sc= -1.52 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.704 -10.872 13.731 1.00 0.00 N ATOM 2 CA GLY A 1 -16.188 -9.537 13.492 1.00 0.00 C ATOM 3 C GLY A 1 -15.253 -9.482 12.301 1.00 0.00 C ATOM 4 O GLY A 1 -14.265 -10.213 12.244 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.338 -10.857 14.555 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.231 -11.195 12.895 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.913 -11.522 13.914 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.021 -8.853 13.328 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.660 -9.190 14.381 1.00 0.00 H new ATOM 8 N SER A 2 -15.565 -8.612 11.345 1.00 0.00 N ATOM 9 CA SER A 2 -14.749 -8.468 10.146 1.00 0.00 C ATOM 10 C SER A 2 -14.375 -9.833 9.575 1.00 0.00 C ATOM 11 O SER A 2 -13.233 -10.061 9.177 1.00 0.00 O ATOM 12 CB SER A 2 -13.482 -7.670 10.459 1.00 0.00 C ATOM 13 OG SER A 2 -13.735 -6.276 10.423 1.00 0.00 O ATOM 0 H SER A 2 -16.378 -7.996 11.378 1.00 0.00 H new ATOM 0 HA SER A 2 -15.335 -7.930 9.401 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.107 -7.949 11.443 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.704 -7.920 9.738 1.00 0.00 H new ATOM 0 HG SER A 2 -12.910 -5.788 10.628 1.00 0.00 H new ATOM 19 N SER A 3 -15.348 -10.739 9.539 1.00 0.00 N ATOM 20 CA SER A 3 -15.122 -12.083 9.022 1.00 0.00 C ATOM 21 C SER A 3 -14.999 -12.066 7.501 1.00 0.00 C ATOM 22 O SER A 3 -14.043 -12.597 6.939 1.00 0.00 O ATOM 23 CB SER A 3 -16.263 -13.012 9.442 1.00 0.00 C ATOM 24 OG SER A 3 -16.012 -13.584 10.714 1.00 0.00 O ATOM 0 H SER A 3 -16.300 -10.566 9.862 1.00 0.00 H new ATOM 0 HA SER A 3 -14.187 -12.455 9.441 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.199 -12.454 9.469 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.384 -13.803 8.702 1.00 0.00 H new ATOM 0 HG SER A 3 -16.756 -14.172 10.961 1.00 0.00 H new ATOM 30 N GLY A 4 -15.976 -11.451 6.841 1.00 0.00 N ATOM 31 CA GLY A 4 -15.960 -11.376 5.392 1.00 0.00 C ATOM 32 C GLY A 4 -14.760 -10.614 4.865 1.00 0.00 C ATOM 33 O GLY A 4 -14.109 -9.877 5.606 1.00 0.00 O ATOM 0 H GLY A 4 -16.778 -11.003 7.284 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.956 -12.385 4.979 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.874 -10.893 5.046 1.00 0.00 H new ATOM 37 N SER A 5 -14.465 -10.792 3.581 1.00 0.00 N ATOM 38 CA SER A 5 -13.332 -10.120 2.957 1.00 0.00 C ATOM 39 C SER A 5 -13.807 -9.029 2.001 1.00 0.00 C ATOM 40 O SER A 5 -14.251 -9.313 0.889 1.00 0.00 O ATOM 41 CB SER A 5 -12.464 -11.130 2.204 1.00 0.00 C ATOM 42 OG SER A 5 -11.163 -10.615 1.976 1.00 0.00 O ATOM 0 H SER A 5 -14.995 -11.396 2.953 1.00 0.00 H new ATOM 0 HA SER A 5 -12.738 -9.656 3.744 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.397 -12.055 2.777 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.932 -11.378 1.252 1.00 0.00 H new ATOM 0 HG SER A 5 -10.628 -11.280 1.495 1.00 0.00 H new ATOM 48 N SER A 6 -13.709 -7.780 2.444 1.00 0.00 N ATOM 49 CA SER A 6 -14.131 -6.645 1.631 1.00 0.00 C ATOM 50 C SER A 6 -12.926 -5.837 1.159 1.00 0.00 C ATOM 51 O SER A 6 -12.284 -5.142 1.945 1.00 0.00 O ATOM 52 CB SER A 6 -15.082 -5.748 2.425 1.00 0.00 C ATOM 53 OG SER A 6 -15.764 -4.846 1.571 1.00 0.00 O ATOM 0 H SER A 6 -13.341 -7.528 3.361 1.00 0.00 H new ATOM 0 HA SER A 6 -14.653 -7.031 0.755 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.805 -6.363 2.961 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.520 -5.190 3.174 1.00 0.00 H new ATOM 0 HG SER A 6 -16.367 -4.285 2.102 1.00 0.00 H new ATOM 59 N GLY A 7 -12.626 -5.933 -0.133 1.00 0.00 N ATOM 60 CA GLY A 7 -11.500 -5.206 -0.689 1.00 0.00 C ATOM 61 C GLY A 7 -10.190 -5.563 -0.015 1.00 0.00 C ATOM 62 O GLY A 7 -10.003 -5.300 1.172 1.00 0.00 O ATOM 0 H GLY A 7 -13.143 -6.501 -0.804 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.426 -5.418 -1.756 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.677 -4.135 -0.588 1.00 0.00 H new ATOM 66 N ASN A 8 -9.281 -6.166 -0.775 1.00 0.00 N ATOM 67 CA ASN A 8 -7.982 -6.562 -0.243 1.00 0.00 C ATOM 68 C ASN A 8 -7.333 -5.411 0.521 1.00 0.00 C ATOM 69 O ASN A 8 -6.688 -5.619 1.549 1.00 0.00 O ATOM 70 CB ASN A 8 -7.061 -7.020 -1.376 1.00 0.00 C ATOM 71 CG ASN A 8 -7.300 -6.251 -2.661 1.00 0.00 C ATOM 72 OD1 ASN A 8 -7.263 -5.021 -2.678 1.00 0.00 O ATOM 73 ND2 ASN A 8 -7.548 -6.976 -3.746 1.00 0.00 N ATOM 0 H ASN A 8 -9.420 -6.391 -1.760 1.00 0.00 H new ATOM 0 HA ASN A 8 -8.138 -7.391 0.447 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -6.022 -6.896 -1.069 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.215 -8.084 -1.558 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -7.717 -6.515 -4.640 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.569 -7.994 -3.685 1.00 0.00 H new ATOM 80 N VAL A 9 -7.509 -4.196 0.011 1.00 0.00 N ATOM 81 CA VAL A 9 -6.942 -3.012 0.645 1.00 0.00 C ATOM 82 C VAL A 9 -7.828 -2.522 1.785 1.00 0.00 C ATOM 83 O VAL A 9 -9.010 -2.238 1.588 1.00 0.00 O ATOM 84 CB VAL A 9 -6.751 -1.869 -0.370 1.00 0.00 C ATOM 85 CG1 VAL A 9 -6.107 -0.663 0.298 1.00 0.00 C ATOM 86 CG2 VAL A 9 -5.920 -2.341 -1.553 1.00 0.00 C ATOM 0 H VAL A 9 -8.040 -4.006 -0.839 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.969 -3.301 1.043 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.731 -1.568 -0.741 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.980 0.134 -0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.745 -0.312 1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -5.134 -0.946 0.699 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.795 -1.521 -2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.942 -2.670 -1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.427 -3.171 -2.046 1.00 0.00 H new ATOM 96 N ARG A 10 -7.249 -2.423 2.977 1.00 0.00 N ATOM 97 CA ARG A 10 -7.986 -1.968 4.149 1.00 0.00 C ATOM 98 C ARG A 10 -7.923 -0.449 4.275 1.00 0.00 C ATOM 99 O ARG A 10 -6.921 0.173 3.921 1.00 0.00 O ATOM 100 CB ARG A 10 -7.426 -2.619 5.415 1.00 0.00 C ATOM 101 CG ARG A 10 -7.919 -4.040 5.638 1.00 0.00 C ATOM 102 CD ARG A 10 -9.154 -4.069 6.524 1.00 0.00 C ATOM 103 NE ARG A 10 -10.377 -3.816 5.768 1.00 0.00 N ATOM 104 CZ ARG A 10 -11.582 -4.205 6.167 1.00 0.00 C ATOM 105 NH1 ARG A 10 -11.725 -4.862 7.310 1.00 0.00 N ATOM 106 NH2 ARG A 10 -12.648 -3.938 5.423 1.00 0.00 N ATOM 0 H ARG A 10 -6.271 -2.652 3.156 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.028 -2.263 4.028 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.337 -2.626 5.359 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.697 -2.010 6.277 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -8.148 -4.502 4.678 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.127 -4.633 6.096 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -9.225 -5.040 7.014 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.053 -3.321 7.311 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.302 -3.312 4.884 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -10.908 -5.069 7.885 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -12.652 -5.160 7.615 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -12.542 -3.433 4.543 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -13.573 -4.238 5.731 1.00 0.00 H new ATOM 120 N VAL A 11 -8.999 0.144 4.782 1.00 0.00 N ATOM 121 CA VAL A 11 -9.066 1.590 4.955 1.00 0.00 C ATOM 122 C VAL A 11 -8.817 1.981 6.408 1.00 0.00 C ATOM 123 O VAL A 11 -9.724 1.933 7.238 1.00 0.00 O ATOM 124 CB VAL A 11 -10.432 2.146 4.512 1.00 0.00 C ATOM 125 CG1 VAL A 11 -10.513 3.641 4.781 1.00 0.00 C ATOM 126 CG2 VAL A 11 -10.677 1.846 3.041 1.00 0.00 C ATOM 0 H VAL A 11 -9.837 -0.355 5.080 1.00 0.00 H new ATOM 0 HA VAL A 11 -8.286 2.021 4.327 1.00 0.00 H new ATOM 0 HB VAL A 11 -11.211 1.654 5.094 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -11.485 4.016 4.461 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.385 3.826 5.848 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.727 4.154 4.227 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -11.647 2.246 2.745 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.894 2.309 2.440 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -10.666 0.768 2.883 1.00 0.00 H new ATOM 136 N ILE A 12 -7.582 2.370 6.706 1.00 0.00 N ATOM 137 CA ILE A 12 -7.214 2.771 8.058 1.00 0.00 C ATOM 138 C ILE A 12 -7.709 4.180 8.368 1.00 0.00 C ATOM 139 O ILE A 12 -7.644 5.073 7.522 1.00 0.00 O ATOM 140 CB ILE A 12 -5.689 2.718 8.266 1.00 0.00 C ATOM 141 CG1 ILE A 12 -5.153 1.326 7.925 1.00 0.00 C ATOM 142 CG2 ILE A 12 -5.336 3.092 9.698 1.00 0.00 C ATOM 143 CD1 ILE A 12 -5.713 0.231 8.806 1.00 0.00 C ATOM 0 H ILE A 12 -6.820 2.416 6.030 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.690 2.063 8.737 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.221 3.440 7.597 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.387 1.100 6.885 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.067 1.332 8.013 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.255 3.050 9.829 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.688 4.102 9.907 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.812 2.392 10.385 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.290 -0.728 8.508 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -5.456 0.433 9.846 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.797 0.198 8.700 1.00 0.00 H new ATOM 155 N THR A 13 -8.203 4.373 9.587 1.00 0.00 N ATOM 156 CA THR A 13 -8.709 5.673 10.009 1.00 0.00 C ATOM 157 C THR A 13 -7.928 6.205 11.205 1.00 0.00 C ATOM 158 O THR A 13 -6.950 5.598 11.639 1.00 0.00 O ATOM 159 CB THR A 13 -10.204 5.602 10.376 1.00 0.00 C ATOM 160 OG1 THR A 13 -10.445 4.479 11.231 1.00 0.00 O ATOM 161 CG2 THR A 13 -11.063 5.488 9.126 1.00 0.00 C ATOM 0 H THR A 13 -8.263 3.645 10.299 1.00 0.00 H new ATOM 0 HA THR A 13 -8.582 6.351 9.165 1.00 0.00 H new ATOM 0 HB THR A 13 -10.472 6.520 10.899 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.397 4.442 11.461 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.114 5.439 9.410 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.899 6.359 8.491 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.793 4.584 8.580 1.00 0.00 H new ATOM 169 N ASP A 14 -8.367 7.342 11.734 1.00 0.00 N ATOM 170 CA ASP A 14 -7.710 7.955 12.882 1.00 0.00 C ATOM 171 C ASP A 14 -7.890 7.099 14.132 1.00 0.00 C ATOM 172 O ASP A 14 -7.368 7.424 15.198 1.00 0.00 O ATOM 173 CB ASP A 14 -8.266 9.359 13.126 1.00 0.00 C ATOM 174 CG ASP A 14 -7.372 10.188 14.027 1.00 0.00 C ATOM 175 OD1 ASP A 14 -7.374 9.944 15.251 1.00 0.00 O ATOM 176 OD2 ASP A 14 -6.670 11.081 13.507 1.00 0.00 O ATOM 0 H ASP A 14 -9.175 7.858 11.386 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.645 8.028 12.663 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.387 9.869 12.171 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.257 9.281 13.574 1.00 0.00 H new ATOM 181 N GLU A 15 -8.633 6.006 13.993 1.00 0.00 N ATOM 182 CA GLU A 15 -8.882 5.105 15.112 1.00 0.00 C ATOM 183 C GLU A 15 -8.356 3.704 14.811 1.00 0.00 C ATOM 184 O GLU A 15 -7.887 3.001 15.705 1.00 0.00 O ATOM 185 CB GLU A 15 -10.380 5.043 15.422 1.00 0.00 C ATOM 186 CG GLU A 15 -10.930 6.325 16.023 1.00 0.00 C ATOM 187 CD GLU A 15 -10.989 7.462 15.021 1.00 0.00 C ATOM 188 OE1 GLU A 15 -10.979 7.182 13.804 1.00 0.00 O ATOM 189 OE2 GLU A 15 -11.046 8.632 15.454 1.00 0.00 O ATOM 0 H GLU A 15 -9.073 5.723 13.117 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.353 5.494 15.982 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.924 4.820 14.504 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.566 4.219 16.111 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.930 6.138 16.414 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -10.308 6.622 16.867 1.00 0.00 H new ATOM 196 N ASN A 16 -8.439 3.307 13.545 1.00 0.00 N ATOM 197 CA ASN A 16 -7.972 1.990 13.126 1.00 0.00 C ATOM 198 C ASN A 16 -6.456 1.882 13.259 1.00 0.00 C ATOM 199 O ASN A 16 -5.909 0.785 13.369 1.00 0.00 O ATOM 200 CB ASN A 16 -8.389 1.716 11.680 1.00 0.00 C ATOM 201 CG ASN A 16 -8.653 0.244 11.423 1.00 0.00 C ATOM 202 OD1 ASN A 16 -8.050 -0.625 12.053 1.00 0.00 O ATOM 203 ND2 ASN A 16 -9.559 -0.041 10.495 1.00 0.00 N ATOM 0 H ASN A 16 -8.825 3.877 12.792 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.429 1.245 13.777 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -9.287 2.289 11.449 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.606 2.065 11.007 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.780 -1.013 10.279 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -10.034 0.712 9.998 1.00 0.00 H new ATOM 210 N TRP A 17 -5.784 3.028 13.250 1.00 0.00 N ATOM 211 CA TRP A 17 -4.331 3.062 13.370 1.00 0.00 C ATOM 212 C TRP A 17 -3.841 1.998 14.345 1.00 0.00 C ATOM 213 O TRP A 17 -2.937 1.223 14.030 1.00 0.00 O ATOM 214 CB TRP A 17 -3.870 4.446 13.832 1.00 0.00 C ATOM 215 CG TRP A 17 -4.288 4.775 15.233 1.00 0.00 C ATOM 216 CD1 TRP A 17 -5.482 5.308 15.627 1.00 0.00 C ATOM 217 CD2 TRP A 17 -3.514 4.593 16.423 1.00 0.00 C ATOM 218 NE1 TRP A 17 -5.496 5.470 16.992 1.00 0.00 N ATOM 219 CE2 TRP A 17 -4.301 5.038 17.504 1.00 0.00 C ATOM 220 CE3 TRP A 17 -2.234 4.097 16.682 1.00 0.00 C ATOM 221 CZ2 TRP A 17 -3.848 5.001 18.819 1.00 0.00 C ATOM 222 CZ3 TRP A 17 -1.785 4.061 17.989 1.00 0.00 C ATOM 223 CH2 TRP A 17 -2.590 4.510 19.044 1.00 0.00 C ATOM 0 H TRP A 17 -6.222 3.945 13.161 1.00 0.00 H new ATOM 0 HA TRP A 17 -3.905 2.853 12.389 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.784 4.501 13.762 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.271 5.200 13.154 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -6.295 5.564 14.964 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -6.271 5.850 17.536 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -1.606 3.748 15.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -4.467 5.347 19.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -0.797 3.680 18.200 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -2.211 4.468 20.054 1.00 0.00 H new ATOM 234 N ARG A 18 -4.441 1.965 15.530 1.00 0.00 N ATOM 235 CA ARG A 18 -4.064 0.995 16.552 1.00 0.00 C ATOM 236 C ARG A 18 -3.741 -0.357 15.924 1.00 0.00 C ATOM 237 O ARG A 18 -2.712 -0.962 16.226 1.00 0.00 O ATOM 238 CB ARG A 18 -5.188 0.838 17.577 1.00 0.00 C ATOM 239 CG ARG A 18 -5.440 2.090 18.401 1.00 0.00 C ATOM 240 CD ARG A 18 -6.129 1.762 19.716 1.00 0.00 C ATOM 241 NE ARG A 18 -7.406 1.083 19.511 1.00 0.00 N ATOM 242 CZ ARG A 18 -8.203 0.702 20.502 1.00 0.00 C ATOM 243 NH1 ARG A 18 -7.858 0.931 21.761 1.00 0.00 N ATOM 244 NH2 ARG A 18 -9.350 0.089 20.234 1.00 0.00 N ATOM 0 H ARG A 18 -5.191 2.599 15.807 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.172 1.365 17.057 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.106 0.564 17.058 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.944 0.015 18.248 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.493 2.592 18.600 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.056 2.785 17.830 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.476 1.132 20.320 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.293 2.681 20.278 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.702 0.891 18.554 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.978 1.401 21.971 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.473 0.637 22.520 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -9.619 -0.089 19.266 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.962 -0.204 20.996 1.00 0.00 H new ATOM 258 N GLU A 19 -4.627 -0.825 15.050 1.00 0.00 N ATOM 259 CA GLU A 19 -4.436 -2.107 14.382 1.00 0.00 C ATOM 260 C GLU A 19 -3.041 -2.199 13.770 1.00 0.00 C ATOM 261 O GLU A 19 -2.385 -3.239 13.845 1.00 0.00 O ATOM 262 CB GLU A 19 -5.495 -2.304 13.295 1.00 0.00 C ATOM 263 CG GLU A 19 -6.908 -2.430 13.839 1.00 0.00 C ATOM 264 CD GLU A 19 -7.066 -3.602 14.788 1.00 0.00 C ATOM 265 OE1 GLU A 19 -6.636 -3.485 15.954 1.00 0.00 O ATOM 266 OE2 GLU A 19 -7.620 -4.638 14.363 1.00 0.00 O ATOM 0 H GLU A 19 -5.483 -0.336 14.788 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.540 -2.895 15.128 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.455 -1.463 12.603 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.254 -3.200 12.722 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.177 -1.509 14.357 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.604 -2.544 13.008 1.00 0.00 H new ATOM 273 N LEU A 20 -2.594 -1.105 13.164 1.00 0.00 N ATOM 274 CA LEU A 20 -1.277 -1.060 12.538 1.00 0.00 C ATOM 275 C LEU A 20 -0.191 -1.486 13.522 1.00 0.00 C ATOM 276 O LEU A 20 0.875 -1.956 13.122 1.00 0.00 O ATOM 277 CB LEU A 20 -0.985 0.348 12.018 1.00 0.00 C ATOM 278 CG LEU A 20 -2.018 0.936 11.056 1.00 0.00 C ATOM 279 CD1 LEU A 20 -1.779 2.425 10.861 1.00 0.00 C ATOM 280 CD2 LEU A 20 -1.979 0.208 9.721 1.00 0.00 C ATOM 0 H LEU A 20 -3.124 -0.237 13.093 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.277 -1.757 11.700 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.892 1.017 12.873 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.017 0.335 11.517 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.009 0.802 11.491 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.524 2.826 10.173 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.859 2.935 11.821 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.782 2.583 10.449 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.721 0.640 9.049 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.987 0.309 9.280 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.201 -0.848 9.876 1.00 0.00 H new ATOM 292 N LEU A 21 -0.470 -1.321 14.810 1.00 0.00 N ATOM 293 CA LEU A 21 0.481 -1.691 15.852 1.00 0.00 C ATOM 294 C LEU A 21 0.396 -3.182 16.163 1.00 0.00 C ATOM 295 O LEU A 21 0.831 -3.630 17.224 1.00 0.00 O ATOM 296 CB LEU A 21 0.219 -0.879 17.122 1.00 0.00 C ATOM 297 CG LEU A 21 0.176 0.640 16.949 1.00 0.00 C ATOM 298 CD1 LEU A 21 -0.101 1.321 18.281 1.00 0.00 C ATOM 299 CD2 LEU A 21 1.481 1.146 16.351 1.00 0.00 C ATOM 0 H LEU A 21 -1.347 -0.933 15.158 1.00 0.00 H new ATOM 0 HA LEU A 21 1.484 -1.471 15.487 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.731 -1.203 17.548 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.994 -1.120 17.850 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.634 0.886 16.263 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.128 2.401 18.139 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.061 0.982 18.670 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.687 1.068 18.990 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.432 2.229 16.235 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.308 0.889 17.012 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.638 0.683 15.377 1.00 0.00 H new ATOM 311 N GLU A 22 -0.164 -3.945 15.229 1.00 0.00 N ATOM 312 CA GLU A 22 -0.303 -5.386 15.404 1.00 0.00 C ATOM 313 C GLU A 22 0.032 -6.126 14.112 1.00 0.00 C ATOM 314 O GLU A 22 -0.544 -5.851 13.060 1.00 0.00 O ATOM 315 CB GLU A 22 -1.725 -5.733 15.849 1.00 0.00 C ATOM 316 CG GLU A 22 -2.106 -5.134 17.193 1.00 0.00 C ATOM 317 CD GLU A 22 -3.346 -5.773 17.786 1.00 0.00 C ATOM 318 OE1 GLU A 22 -3.241 -6.908 18.297 1.00 0.00 O ATOM 319 OE2 GLU A 22 -4.421 -5.139 17.741 1.00 0.00 O ATOM 0 H GLU A 22 -0.528 -3.590 14.345 1.00 0.00 H new ATOM 0 HA GLU A 22 0.399 -5.702 16.176 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.428 -5.384 15.093 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.826 -6.817 15.902 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.274 -5.251 17.888 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.275 -4.064 17.075 1.00 0.00 H new ATOM 326 N GLY A 23 0.968 -7.065 14.200 1.00 0.00 N ATOM 327 CA GLY A 23 1.365 -7.830 13.031 1.00 0.00 C ATOM 328 C GLY A 23 1.931 -6.954 11.931 1.00 0.00 C ATOM 329 O GLY A 23 2.359 -5.828 12.183 1.00 0.00 O ATOM 0 H GLY A 23 1.459 -7.310 15.060 1.00 0.00 H new ATOM 0 HA2 GLY A 23 2.110 -8.571 13.321 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.503 -8.377 12.649 1.00 0.00 H new ATOM 333 N ASP A 24 1.935 -7.473 10.708 1.00 0.00 N ATOM 334 CA ASP A 24 2.455 -6.732 9.565 1.00 0.00 C ATOM 335 C ASP A 24 1.359 -5.887 8.922 1.00 0.00 C ATOM 336 O ASP A 24 0.208 -6.313 8.829 1.00 0.00 O ATOM 337 CB ASP A 24 3.047 -7.692 8.533 1.00 0.00 C ATOM 338 CG ASP A 24 4.296 -8.387 9.038 1.00 0.00 C ATOM 339 OD1 ASP A 24 5.388 -7.792 8.935 1.00 0.00 O ATOM 340 OD2 ASP A 24 4.180 -9.527 9.537 1.00 0.00 O ATOM 0 H ASP A 24 1.584 -8.404 10.483 1.00 0.00 H new ATOM 0 HA ASP A 24 3.241 -6.066 9.922 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.301 -8.441 8.267 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.284 -7.141 7.623 1.00 0.00 H new ATOM 345 N TRP A 25 1.724 -4.689 8.481 1.00 0.00 N ATOM 346 CA TRP A 25 0.772 -3.784 7.848 1.00 0.00 C ATOM 347 C TRP A 25 1.470 -2.874 6.844 1.00 0.00 C ATOM 348 O TRP A 25 2.404 -2.152 7.192 1.00 0.00 O ATOM 349 CB TRP A 25 0.056 -2.943 8.906 1.00 0.00 C ATOM 350 CG TRP A 25 -1.000 -3.700 9.653 1.00 0.00 C ATOM 351 CD1 TRP A 25 -0.804 -4.604 10.658 1.00 0.00 C ATOM 352 CD2 TRP A 25 -2.415 -3.621 9.452 1.00 0.00 C ATOM 353 NE1 TRP A 25 -2.012 -5.091 11.094 1.00 0.00 N ATOM 354 CE2 TRP A 25 -3.016 -4.503 10.371 1.00 0.00 C ATOM 355 CE3 TRP A 25 -3.233 -2.889 8.587 1.00 0.00 C ATOM 356 CZ2 TRP A 25 -4.396 -4.673 10.446 1.00 0.00 C ATOM 357 CZ3 TRP A 25 -4.603 -3.059 8.663 1.00 0.00 C ATOM 358 CH2 TRP A 25 -5.173 -3.944 9.588 1.00 0.00 C ATOM 0 H TRP A 25 2.673 -4.321 8.550 1.00 0.00 H new ATOM 0 HA TRP A 25 0.037 -4.386 7.314 1.00 0.00 H new ATOM 0 HB2 TRP A 25 0.791 -2.563 9.616 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -0.400 -2.078 8.425 1.00 0.00 H new ATOM 0 HD1 TRP A 25 0.159 -4.893 11.052 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -2.141 -5.779 11.836 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -2.803 -2.203 7.872 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -4.837 -5.356 11.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -5.245 -2.500 7.998 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -6.247 -4.053 9.624 1.00 0.00 H new ATOM 369 N MET A 26 1.011 -2.913 5.597 1.00 0.00 N ATOM 370 CA MET A 26 1.593 -2.089 4.544 1.00 0.00 C ATOM 371 C MET A 26 0.713 -0.878 4.253 1.00 0.00 C ATOM 372 O MET A 26 -0.419 -1.018 3.787 1.00 0.00 O ATOM 373 CB MET A 26 1.783 -2.914 3.269 1.00 0.00 C ATOM 374 CG MET A 26 3.076 -3.713 3.249 1.00 0.00 C ATOM 375 SD MET A 26 4.537 -2.666 3.112 1.00 0.00 S ATOM 376 CE MET A 26 4.722 -2.575 1.333 1.00 0.00 C ATOM 0 H MET A 26 0.239 -3.506 5.292 1.00 0.00 H new ATOM 0 HA MET A 26 2.565 -1.735 4.888 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.941 -3.598 3.160 1.00 0.00 H new ATOM 0 HB3 MET A 26 1.765 -2.246 2.408 1.00 0.00 H new ATOM 0 HG2 MET A 26 3.145 -4.309 4.159 1.00 0.00 H new ATOM 0 HG3 MET A 26 3.054 -4.411 2.412 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.577 -1.944 1.088 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.883 -3.576 0.932 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.819 -2.149 0.895 1.00 0.00 H new ATOM 386 N ILE A 27 1.239 0.310 4.530 1.00 0.00 N ATOM 387 CA ILE A 27 0.501 1.545 4.297 1.00 0.00 C ATOM 388 C ILE A 27 1.145 2.370 3.188 1.00 0.00 C ATOM 389 O ILE A 27 2.352 2.288 2.962 1.00 0.00 O ATOM 390 CB ILE A 27 0.417 2.401 5.575 1.00 0.00 C ATOM 391 CG1 ILE A 27 0.066 1.525 6.779 1.00 0.00 C ATOM 392 CG2 ILE A 27 -0.608 3.511 5.403 1.00 0.00 C ATOM 393 CD1 ILE A 27 0.554 2.085 8.097 1.00 0.00 C ATOM 0 H ILE A 27 2.174 0.443 4.916 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.506 1.258 3.995 1.00 0.00 H new ATOM 0 HB ILE A 27 1.390 2.858 5.754 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.016 1.401 6.825 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.495 0.533 6.634 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.656 4.107 6.315 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.318 4.148 4.568 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.587 3.075 5.203 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.270 1.412 8.906 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.639 2.183 8.071 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.105 3.064 8.265 1.00 0.00 H new ATOM 405 N GLU A 28 0.332 3.166 2.501 1.00 0.00 N ATOM 406 CA GLU A 28 0.824 4.007 1.416 1.00 0.00 C ATOM 407 C GLU A 28 0.049 5.320 1.351 1.00 0.00 C ATOM 408 O GLU A 28 -1.120 5.345 0.964 1.00 0.00 O ATOM 409 CB GLU A 28 0.712 3.270 0.079 1.00 0.00 C ATOM 410 CG GLU A 28 -0.718 2.951 -0.323 1.00 0.00 C ATOM 411 CD GLU A 28 -1.332 4.030 -1.194 1.00 0.00 C ATOM 412 OE1 GLU A 28 -0.568 4.800 -1.812 1.00 0.00 O ATOM 413 OE2 GLU A 28 -2.577 4.104 -1.257 1.00 0.00 O ATOM 0 H GLU A 28 -0.670 3.246 2.676 1.00 0.00 H new ATOM 0 HA GLU A 28 1.872 4.233 1.612 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.173 3.877 -0.700 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.280 2.341 0.137 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.738 2.002 -0.858 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.324 2.824 0.574 1.00 0.00 H new ATOM 420 N PHE A 29 0.708 6.408 1.733 1.00 0.00 N ATOM 421 CA PHE A 29 0.082 7.725 1.720 1.00 0.00 C ATOM 422 C PHE A 29 -0.080 8.237 0.291 1.00 0.00 C ATOM 423 O PHE A 29 0.902 8.552 -0.382 1.00 0.00 O ATOM 424 CB PHE A 29 0.913 8.717 2.537 1.00 0.00 C ATOM 425 CG PHE A 29 0.867 8.460 4.017 1.00 0.00 C ATOM 426 CD1 PHE A 29 1.613 7.437 4.579 1.00 0.00 C ATOM 427 CD2 PHE A 29 0.078 9.242 4.845 1.00 0.00 C ATOM 428 CE1 PHE A 29 1.574 7.199 5.940 1.00 0.00 C ATOM 429 CE2 PHE A 29 0.035 9.009 6.206 1.00 0.00 C ATOM 430 CZ PHE A 29 0.783 7.985 6.754 1.00 0.00 C ATOM 0 H PHE A 29 1.676 6.404 2.056 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.907 7.633 2.169 1.00 0.00 H new ATOM 0 HB2 PHE A 29 1.949 8.675 2.201 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.555 9.728 2.340 1.00 0.00 H new ATOM 0 HD1 PHE A 29 2.232 6.818 3.946 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.510 10.043 4.422 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.162 6.399 6.366 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.583 9.627 6.841 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.749 7.800 7.817 1.00 0.00 H new ATOM 440 N TYR A 30 -1.325 8.315 -0.165 1.00 0.00 N ATOM 441 CA TYR A 30 -1.617 8.785 -1.514 1.00 0.00 C ATOM 442 C TYR A 30 -2.478 10.044 -1.478 1.00 0.00 C ATOM 443 O TYR A 30 -2.937 10.465 -0.417 1.00 0.00 O ATOM 444 CB TYR A 30 -2.325 7.692 -2.315 1.00 0.00 C ATOM 445 CG TYR A 30 -3.808 7.600 -2.036 1.00 0.00 C ATOM 446 CD1 TYR A 30 -4.704 8.473 -2.640 1.00 0.00 C ATOM 447 CD2 TYR A 30 -4.313 6.639 -1.168 1.00 0.00 C ATOM 448 CE1 TYR A 30 -6.060 8.394 -2.386 1.00 0.00 C ATOM 449 CE2 TYR A 30 -5.667 6.551 -0.910 1.00 0.00 C ATOM 450 CZ TYR A 30 -6.537 7.431 -1.521 1.00 0.00 C ATOM 451 OH TYR A 30 -7.886 7.348 -1.267 1.00 0.00 O ATOM 0 H TYR A 30 -2.148 8.059 0.380 1.00 0.00 H new ATOM 0 HA TYR A 30 -0.672 9.027 -2.000 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -2.175 7.878 -3.378 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -1.862 6.731 -2.091 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.334 9.226 -3.320 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.635 5.949 -0.687 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -6.743 9.082 -2.862 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.043 5.798 -0.234 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.176 8.144 -0.774 1.00 0.00 H new ATOM 461 N ALA A 31 -2.693 10.639 -2.647 1.00 0.00 N ATOM 462 CA ALA A 31 -3.501 11.847 -2.751 1.00 0.00 C ATOM 463 C ALA A 31 -4.309 11.858 -4.045 1.00 0.00 C ATOM 464 O ALA A 31 -3.824 11.477 -5.111 1.00 0.00 O ATOM 465 CB ALA A 31 -2.616 13.083 -2.669 1.00 0.00 C ATOM 0 H ALA A 31 -2.319 10.304 -3.535 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.201 11.859 -1.916 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.233 13.978 -2.748 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.088 13.090 -1.716 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.893 13.068 -3.484 1.00 0.00 H new ATOM 471 N PRO A 32 -5.570 12.304 -3.953 1.00 0.00 N ATOM 472 CA PRO A 32 -6.471 12.374 -5.106 1.00 0.00 C ATOM 473 C PRO A 32 -6.059 13.455 -6.100 1.00 0.00 C ATOM 474 O PRO A 32 -6.255 13.310 -7.306 1.00 0.00 O ATOM 475 CB PRO A 32 -7.826 12.714 -4.479 1.00 0.00 C ATOM 476 CG PRO A 32 -7.489 13.404 -3.202 1.00 0.00 C ATOM 477 CD PRO A 32 -6.214 12.774 -2.714 1.00 0.00 C ATOM 0 HA PRO A 32 -6.471 11.446 -5.678 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -8.415 13.357 -5.133 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.416 11.815 -4.300 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.360 14.475 -3.360 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.288 13.284 -2.471 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.589 13.492 -2.183 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.410 11.952 -2.026 1.00 0.00 H new ATOM 485 N TRP A 33 -5.486 14.537 -5.585 1.00 0.00 N ATOM 486 CA TRP A 33 -5.044 15.642 -6.427 1.00 0.00 C ATOM 487 C TRP A 33 -3.628 15.405 -6.940 1.00 0.00 C ATOM 488 O TRP A 33 -3.135 16.143 -7.793 1.00 0.00 O ATOM 489 CB TRP A 33 -5.105 16.959 -5.651 1.00 0.00 C ATOM 490 CG TRP A 33 -4.877 16.791 -4.179 1.00 0.00 C ATOM 491 CD1 TRP A 33 -5.794 16.969 -3.182 1.00 0.00 C ATOM 492 CD2 TRP A 33 -3.653 16.413 -3.539 1.00 0.00 C ATOM 493 NE1 TRP A 33 -5.213 16.725 -1.961 1.00 0.00 N ATOM 494 CE2 TRP A 33 -3.901 16.381 -2.152 1.00 0.00 C ATOM 495 CE3 TRP A 33 -2.373 16.097 -4.001 1.00 0.00 C ATOM 496 CZ2 TRP A 33 -2.915 16.048 -1.228 1.00 0.00 C ATOM 497 CZ3 TRP A 33 -1.396 15.766 -3.083 1.00 0.00 C ATOM 498 CH2 TRP A 33 -1.671 15.743 -1.709 1.00 0.00 C ATOM 0 H TRP A 33 -5.317 14.672 -4.588 1.00 0.00 H new ATOM 0 HA TRP A 33 -5.715 15.702 -7.284 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -4.357 17.644 -6.052 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -6.079 17.422 -5.810 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -6.824 17.259 -3.332 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -5.683 16.790 -1.058 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -2.151 16.111 -5.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -3.124 16.031 -0.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.403 15.521 -3.430 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -0.886 15.479 -1.016 1.00 0.00 H new ATOM 509 N CYS A 34 -2.979 14.372 -6.415 1.00 0.00 N ATOM 510 CA CYS A 34 -1.618 14.038 -6.819 1.00 0.00 C ATOM 511 C CYS A 34 -1.623 13.116 -8.034 1.00 0.00 C ATOM 512 O CYS A 34 -2.334 12.112 -8.080 1.00 0.00 O ATOM 513 CB CYS A 34 -0.869 13.374 -5.663 1.00 0.00 C ATOM 514 SG CYS A 34 0.880 13.060 -6.000 1.00 0.00 S ATOM 0 H CYS A 34 -3.373 13.751 -5.708 1.00 0.00 H new ATOM 0 HA CYS A 34 -1.108 14.963 -7.089 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.950 14.008 -4.780 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.357 12.429 -5.423 1.00 0.00 H new ATOM 0 HG CYS A 34 1.428 12.499 -4.963 1.00 0.00 H new ATOM 520 N PRO A 35 -0.812 13.464 -9.044 1.00 0.00 N ATOM 521 CA PRO A 35 -0.706 12.681 -10.279 1.00 0.00 C ATOM 522 C PRO A 35 -0.015 11.340 -10.058 1.00 0.00 C ATOM 523 O PRO A 35 -0.529 10.294 -10.454 1.00 0.00 O ATOM 524 CB PRO A 35 0.139 13.573 -11.193 1.00 0.00 C ATOM 525 CG PRO A 35 0.936 14.421 -10.262 1.00 0.00 C ATOM 526 CD PRO A 35 0.063 14.648 -9.059 1.00 0.00 C ATOM 0 HA PRO A 35 -1.685 12.432 -10.689 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.785 12.979 -11.839 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.489 14.182 -11.843 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.866 13.926 -9.982 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.208 15.367 -10.731 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.651 14.725 -8.144 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -0.511 15.571 -9.147 1.00 0.00 H new ATOM 534 N ALA A 36 1.151 11.377 -9.422 1.00 0.00 N ATOM 535 CA ALA A 36 1.910 10.164 -9.146 1.00 0.00 C ATOM 536 C ALA A 36 1.019 9.085 -8.540 1.00 0.00 C ATOM 537 O ALA A 36 1.081 7.921 -8.937 1.00 0.00 O ATOM 538 CB ALA A 36 3.077 10.471 -8.218 1.00 0.00 C ATOM 0 H ALA A 36 1.591 12.235 -9.088 1.00 0.00 H new ATOM 0 HA ALA A 36 2.301 9.787 -10.091 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.635 9.556 -8.020 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.734 11.202 -8.689 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.699 10.875 -7.279 1.00 0.00 H new ATOM 544 N CYS A 37 0.193 9.479 -7.578 1.00 0.00 N ATOM 545 CA CYS A 37 -0.710 8.544 -6.916 1.00 0.00 C ATOM 546 C CYS A 37 -1.535 7.768 -7.938 1.00 0.00 C ATOM 547 O CYS A 37 -1.620 6.542 -7.878 1.00 0.00 O ATOM 548 CB CYS A 37 -1.637 9.292 -5.956 1.00 0.00 C ATOM 549 SG CYS A 37 -3.225 8.474 -5.676 1.00 0.00 S ATOM 0 H CYS A 37 0.130 10.439 -7.239 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.107 7.834 -6.349 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.130 9.414 -4.999 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -1.820 10.292 -6.350 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.124 9.363 -5.373 1.00 0.00 H new ATOM 555 N GLN A 38 -2.141 8.492 -8.873 1.00 0.00 N ATOM 556 CA GLN A 38 -2.961 7.871 -9.906 1.00 0.00 C ATOM 557 C GLN A 38 -2.217 6.718 -10.571 1.00 0.00 C ATOM 558 O GLN A 38 -2.826 5.737 -10.997 1.00 0.00 O ATOM 559 CB GLN A 38 -3.365 8.907 -10.957 1.00 0.00 C ATOM 560 CG GLN A 38 -4.112 10.099 -10.381 1.00 0.00 C ATOM 561 CD GLN A 38 -3.879 11.371 -11.171 1.00 0.00 C ATOM 562 OE1 GLN A 38 -3.394 11.333 -12.302 1.00 0.00 O ATOM 563 NE2 GLN A 38 -4.223 12.508 -10.578 1.00 0.00 N ATOM 0 H GLN A 38 -2.080 9.508 -8.936 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.859 7.475 -9.433 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.470 9.262 -11.468 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.991 8.425 -11.708 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.179 9.879 -10.361 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.799 10.255 -9.349 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.622 12.493 -9.639 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.088 13.396 -11.061 1.00 0.00 H new ATOM 572 N ASN A 39 -0.897 6.843 -10.658 1.00 0.00 N ATOM 573 CA ASN A 39 -0.070 5.811 -11.272 1.00 0.00 C ATOM 574 C ASN A 39 0.091 4.615 -10.339 1.00 0.00 C ATOM 575 O ASN A 39 0.151 3.469 -10.785 1.00 0.00 O ATOM 576 CB ASN A 39 1.304 6.378 -11.635 1.00 0.00 C ATOM 577 CG ASN A 39 1.209 7.711 -12.352 1.00 0.00 C ATOM 578 OD1 ASN A 39 0.235 7.981 -13.056 1.00 0.00 O ATOM 579 ND2 ASN A 39 2.222 8.551 -12.177 1.00 0.00 N ATOM 0 H ASN A 39 -0.377 7.649 -10.311 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.569 5.475 -12.181 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.896 6.498 -10.727 1.00 0.00 H new ATOM 0 HB3 ASN A 39 1.832 5.665 -12.268 1.00 0.00 H new ATOM 0 HD21 ASN A 39 2.214 9.462 -12.635 1.00 0.00 H new ATOM 0 HD22 ASN A 39 3.009 8.285 -11.585 1.00 0.00 H new ATOM 586 N LEU A 40 0.160 4.891 -9.041 1.00 0.00 N ATOM 587 CA LEU A 40 0.314 3.838 -8.043 1.00 0.00 C ATOM 588 C LEU A 40 -1.019 3.148 -7.769 1.00 0.00 C ATOM 589 O LEU A 40 -1.056 1.978 -7.389 1.00 0.00 O ATOM 590 CB LEU A 40 0.877 4.418 -6.744 1.00 0.00 C ATOM 591 CG LEU A 40 1.238 3.404 -5.657 1.00 0.00 C ATOM 592 CD1 LEU A 40 2.446 2.580 -6.076 1.00 0.00 C ATOM 593 CD2 LEU A 40 1.504 4.111 -4.336 1.00 0.00 C ATOM 0 H LEU A 40 0.112 5.834 -8.655 1.00 0.00 H new ATOM 0 HA LEU A 40 1.011 3.098 -8.436 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.769 4.996 -6.984 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.146 5.115 -6.334 1.00 0.00 H new ATOM 0 HG LEU A 40 0.393 2.729 -5.521 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.688 1.864 -5.291 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.219 2.044 -6.998 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.298 3.240 -6.240 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.759 3.374 -3.574 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.332 4.809 -4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.611 4.656 -4.029 1.00 0.00 H new ATOM 605 N GLN A 41 -2.110 3.881 -7.967 1.00 0.00 N ATOM 606 CA GLN A 41 -3.445 3.338 -7.744 1.00 0.00 C ATOM 607 C GLN A 41 -3.512 1.871 -8.156 1.00 0.00 C ATOM 608 O GLN A 41 -3.844 0.992 -7.361 1.00 0.00 O ATOM 609 CB GLN A 41 -4.484 4.147 -8.521 1.00 0.00 C ATOM 610 CG GLN A 41 -5.077 5.300 -7.726 1.00 0.00 C ATOM 611 CD GLN A 41 -5.408 4.915 -6.298 1.00 0.00 C ATOM 612 OE1 GLN A 41 -6.521 4.479 -6.002 1.00 0.00 O ATOM 613 NE2 GLN A 41 -4.440 5.073 -5.403 1.00 0.00 N ATOM 0 H GLN A 41 -2.096 4.851 -8.281 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.665 3.407 -6.679 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.023 4.541 -9.427 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.288 3.482 -8.836 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.373 6.132 -7.720 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.982 5.651 -8.222 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.532 5.438 -5.692 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.604 4.830 -4.426 1.00 0.00 H new ATOM 622 N PRO A 42 -3.192 1.599 -9.430 1.00 0.00 N ATOM 623 CA PRO A 42 -3.209 0.239 -9.977 1.00 0.00 C ATOM 624 C PRO A 42 -2.092 -0.629 -9.408 1.00 0.00 C ATOM 625 O PRO A 42 -2.320 -1.774 -9.021 1.00 0.00 O ATOM 626 CB PRO A 42 -3.004 0.458 -11.478 1.00 0.00 C ATOM 627 CG PRO A 42 -2.285 1.759 -11.576 1.00 0.00 C ATOM 628 CD PRO A 42 -2.788 2.598 -10.434 1.00 0.00 C ATOM 0 HA PRO A 42 -4.131 -0.288 -9.731 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -2.422 -0.350 -11.920 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -3.956 0.491 -12.007 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.207 1.615 -11.509 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -2.483 2.243 -12.532 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -2.013 3.262 -10.051 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -3.626 3.227 -10.735 1.00 0.00 H new ATOM 636 N GLU A 43 -0.884 -0.074 -9.359 1.00 0.00 N ATOM 637 CA GLU A 43 0.268 -0.799 -8.836 1.00 0.00 C ATOM 638 C GLU A 43 -0.027 -1.363 -7.449 1.00 0.00 C ATOM 639 O GLU A 43 0.452 -2.438 -7.090 1.00 0.00 O ATOM 640 CB GLU A 43 1.491 0.118 -8.777 1.00 0.00 C ATOM 641 CG GLU A 43 2.328 0.099 -10.045 1.00 0.00 C ATOM 642 CD GLU A 43 1.742 0.963 -11.144 1.00 0.00 C ATOM 643 OE1 GLU A 43 0.918 0.448 -11.929 1.00 0.00 O ATOM 644 OE2 GLU A 43 2.106 2.155 -11.218 1.00 0.00 O ATOM 0 H GLU A 43 -0.679 0.874 -9.675 1.00 0.00 H new ATOM 0 HA GLU A 43 0.478 -1.630 -9.509 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.160 1.139 -8.585 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.116 -0.178 -7.935 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.336 0.444 -9.815 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.416 -0.927 -10.402 1.00 0.00 H new ATOM 651 N TRP A 44 -0.818 -0.629 -6.675 1.00 0.00 N ATOM 652 CA TRP A 44 -1.177 -1.054 -5.327 1.00 0.00 C ATOM 653 C TRP A 44 -2.205 -2.180 -5.367 1.00 0.00 C ATOM 654 O TRP A 44 -2.045 -3.201 -4.700 1.00 0.00 O ATOM 655 CB TRP A 44 -1.727 0.127 -4.526 1.00 0.00 C ATOM 656 CG TRP A 44 -1.611 -0.055 -3.043 1.00 0.00 C ATOM 657 CD1 TRP A 44 -2.632 -0.065 -2.137 1.00 0.00 C ATOM 658 CD2 TRP A 44 -0.406 -0.252 -2.296 1.00 0.00 C ATOM 659 NE1 TRP A 44 -2.135 -0.255 -0.870 1.00 0.00 N ATOM 660 CE2 TRP A 44 -0.772 -0.374 -0.941 1.00 0.00 C ATOM 661 CE3 TRP A 44 0.946 -0.339 -2.639 1.00 0.00 C ATOM 662 CZ2 TRP A 44 0.166 -0.577 0.068 1.00 0.00 C ATOM 663 CZ3 TRP A 44 1.876 -0.540 -1.636 1.00 0.00 C ATOM 664 CH2 TRP A 44 1.483 -0.658 -0.296 1.00 0.00 C ATOM 0 H TRP A 44 -1.223 0.263 -6.958 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.276 -1.426 -4.839 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.195 1.033 -4.816 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.775 0.276 -4.786 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -3.677 0.058 -2.380 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.690 -0.300 -0.016 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.259 -0.251 -3.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.135 -0.667 1.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.924 -0.607 -1.890 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.234 -0.816 0.464 1.00 0.00 H new ATOM 675 N GLU A 45 -3.259 -1.985 -6.153 1.00 0.00 N ATOM 676 CA GLU A 45 -4.313 -2.986 -6.278 1.00 0.00 C ATOM 677 C GLU A 45 -3.731 -4.343 -6.664 1.00 0.00 C ATOM 678 O GLU A 45 -4.061 -5.365 -6.062 1.00 0.00 O ATOM 679 CB GLU A 45 -5.343 -2.545 -7.320 1.00 0.00 C ATOM 680 CG GLU A 45 -6.338 -1.523 -6.797 1.00 0.00 C ATOM 681 CD GLU A 45 -7.433 -1.210 -7.798 1.00 0.00 C ATOM 682 OE1 GLU A 45 -7.148 -0.503 -8.788 1.00 0.00 O ATOM 683 OE2 GLU A 45 -8.575 -1.672 -7.593 1.00 0.00 O ATOM 0 H GLU A 45 -3.406 -1.145 -6.712 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.804 -3.083 -5.310 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.821 -2.125 -8.179 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -5.887 -3.421 -7.674 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.788 -1.897 -5.877 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.810 -0.604 -6.543 1.00 0.00 H new ATOM 690 N SER A 46 -2.865 -4.344 -7.672 1.00 0.00 N ATOM 691 CA SER A 46 -2.241 -5.576 -8.142 1.00 0.00 C ATOM 692 C SER A 46 -1.421 -6.227 -7.032 1.00 0.00 C ATOM 693 O SER A 46 -1.324 -7.452 -6.953 1.00 0.00 O ATOM 694 CB SER A 46 -1.347 -5.291 -9.350 1.00 0.00 C ATOM 695 OG SER A 46 -2.123 -4.987 -10.497 1.00 0.00 O ATOM 0 H SER A 46 -2.579 -3.506 -8.179 1.00 0.00 H new ATOM 0 HA SER A 46 -3.032 -6.265 -8.438 1.00 0.00 H new ATOM 0 HB2 SER A 46 -0.682 -4.457 -9.126 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.716 -6.157 -9.552 1.00 0.00 H new ATOM 0 HG SER A 46 -1.529 -4.807 -11.255 1.00 0.00 H new ATOM 701 N PHE A 47 -0.834 -5.398 -6.175 1.00 0.00 N ATOM 702 CA PHE A 47 -0.021 -5.892 -5.069 1.00 0.00 C ATOM 703 C PHE A 47 -0.890 -6.584 -4.023 1.00 0.00 C ATOM 704 O PHE A 47 -0.692 -7.759 -3.715 1.00 0.00 O ATOM 705 CB PHE A 47 0.754 -4.741 -4.424 1.00 0.00 C ATOM 706 CG PHE A 47 1.096 -4.982 -2.982 1.00 0.00 C ATOM 707 CD1 PHE A 47 1.366 -6.262 -2.525 1.00 0.00 C ATOM 708 CD2 PHE A 47 1.146 -3.929 -2.083 1.00 0.00 C ATOM 709 CE1 PHE A 47 1.681 -6.488 -1.198 1.00 0.00 C ATOM 710 CE2 PHE A 47 1.461 -4.148 -0.755 1.00 0.00 C ATOM 711 CZ PHE A 47 1.728 -5.429 -0.312 1.00 0.00 C ATOM 0 H PHE A 47 -0.906 -4.382 -6.225 1.00 0.00 H new ATOM 0 HA PHE A 47 0.687 -6.619 -5.467 1.00 0.00 H new ATOM 0 HB2 PHE A 47 1.674 -4.574 -4.984 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.164 -3.828 -4.501 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.330 -7.093 -3.214 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.937 -2.926 -2.424 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.890 -7.490 -0.855 1.00 0.00 H new ATOM 0 HE2 PHE A 47 1.498 -3.318 -0.064 1.00 0.00 H new ATOM 0 HZ PHE A 47 1.973 -5.602 0.725 1.00 0.00 H new ATOM 721 N ALA A 48 -1.852 -5.846 -3.479 1.00 0.00 N ATOM 722 CA ALA A 48 -2.752 -6.388 -2.468 1.00 0.00 C ATOM 723 C ALA A 48 -3.249 -7.774 -2.863 1.00 0.00 C ATOM 724 O ALA A 48 -3.682 -8.553 -2.014 1.00 0.00 O ATOM 725 CB ALA A 48 -3.926 -5.446 -2.248 1.00 0.00 C ATOM 0 H ALA A 48 -2.028 -4.871 -3.721 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.197 -6.483 -1.535 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.590 -5.863 -1.491 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.557 -4.477 -1.913 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -4.473 -5.323 -3.182 1.00 0.00 H new ATOM 731 N GLU A 49 -3.186 -8.074 -4.156 1.00 0.00 N ATOM 732 CA GLU A 49 -3.632 -9.367 -4.662 1.00 0.00 C ATOM 733 C GLU A 49 -2.932 -10.509 -3.932 1.00 0.00 C ATOM 734 O GLU A 49 -3.579 -11.356 -3.317 1.00 0.00 O ATOM 735 CB GLU A 49 -3.367 -9.470 -6.166 1.00 0.00 C ATOM 736 CG GLU A 49 -4.100 -8.423 -6.987 1.00 0.00 C ATOM 737 CD GLU A 49 -3.937 -8.632 -8.480 1.00 0.00 C ATOM 738 OE1 GLU A 49 -2.824 -9.001 -8.908 1.00 0.00 O ATOM 739 OE2 GLU A 49 -4.922 -8.427 -9.219 1.00 0.00 O ATOM 0 H GLU A 49 -2.831 -7.440 -4.872 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.704 -9.448 -4.482 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.296 -9.375 -6.345 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.661 -10.461 -6.511 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.160 -8.446 -6.735 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.730 -7.433 -6.720 1.00 0.00 H new ATOM 746 N TRP A 50 -1.606 -10.524 -4.004 1.00 0.00 N ATOM 747 CA TRP A 50 -0.816 -11.562 -3.350 1.00 0.00 C ATOM 748 C TRP A 50 -0.453 -11.153 -1.927 1.00 0.00 C ATOM 749 O TRP A 50 0.212 -11.898 -1.208 1.00 0.00 O ATOM 750 CB TRP A 50 0.454 -11.846 -4.153 1.00 0.00 C ATOM 751 CG TRP A 50 1.234 -10.611 -4.488 1.00 0.00 C ATOM 752 CD1 TRP A 50 1.279 -9.972 -5.694 1.00 0.00 C ATOM 753 CD2 TRP A 50 2.083 -9.868 -3.606 1.00 0.00 C ATOM 754 NE1 TRP A 50 2.104 -8.876 -5.615 1.00 0.00 N ATOM 755 CE2 TRP A 50 2.609 -8.790 -4.345 1.00 0.00 C ATOM 756 CE3 TRP A 50 2.448 -10.007 -2.265 1.00 0.00 C ATOM 757 CZ2 TRP A 50 3.481 -7.860 -3.785 1.00 0.00 C ATOM 758 CZ3 TRP A 50 3.313 -9.083 -1.711 1.00 0.00 C ATOM 759 CH2 TRP A 50 3.821 -8.020 -2.470 1.00 0.00 C ATOM 0 H TRP A 50 -1.055 -9.830 -4.508 1.00 0.00 H new ATOM 0 HA TRP A 50 -1.418 -12.469 -3.304 1.00 0.00 H new ATOM 0 HB2 TRP A 50 1.090 -12.526 -3.585 1.00 0.00 H new ATOM 0 HB3 TRP A 50 0.184 -12.358 -5.077 1.00 0.00 H new ATOM 0 HD1 TRP A 50 0.745 -10.282 -6.580 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.307 -8.231 -6.379 1.00 0.00 H new ATOM 0 HE3 TRP A 50 2.061 -10.822 -1.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 3.875 -7.041 -4.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.603 -9.182 -0.675 1.00 0.00 H new ATOM 0 HH2 TRP A 50 4.494 -7.313 -2.007 1.00 0.00 H new ATOM 770 N GLY A 51 -0.894 -9.965 -1.526 1.00 0.00 N ATOM 771 CA GLY A 51 -0.604 -9.479 -0.189 1.00 0.00 C ATOM 772 C GLY A 51 -0.946 -10.494 0.883 1.00 0.00 C ATOM 773 O GLY A 51 -0.056 -11.055 1.521 1.00 0.00 O ATOM 0 H GLY A 51 -1.447 -9.330 -2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.454 -9.224 -0.120 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.165 -8.562 -0.009 1.00 0.00 H new ATOM 777 N GLU A 52 -2.239 -10.729 1.084 1.00 0.00 N ATOM 778 CA GLU A 52 -2.695 -11.682 2.089 1.00 0.00 C ATOM 779 C GLU A 52 -2.103 -13.065 1.835 1.00 0.00 C ATOM 780 O GLU A 52 -2.011 -13.889 2.745 1.00 0.00 O ATOM 781 CB GLU A 52 -4.223 -11.761 2.093 1.00 0.00 C ATOM 782 CG GLU A 52 -4.792 -12.592 0.955 1.00 0.00 C ATOM 783 CD GLU A 52 -4.788 -11.850 -0.368 1.00 0.00 C ATOM 784 OE1 GLU A 52 -4.789 -10.601 -0.347 1.00 0.00 O ATOM 785 OE2 GLU A 52 -4.784 -12.518 -1.423 1.00 0.00 O ATOM 0 H GLU A 52 -2.989 -10.273 0.564 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.354 -11.334 3.064 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.554 -12.184 3.041 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.631 -10.752 2.034 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.212 -13.509 0.855 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.813 -12.886 1.200 1.00 0.00 H new ATOM 792 N ASP A 53 -1.705 -13.313 0.592 1.00 0.00 N ATOM 793 CA ASP A 53 -1.122 -14.596 0.217 1.00 0.00 C ATOM 794 C ASP A 53 0.244 -14.784 0.869 1.00 0.00 C ATOM 795 O ASP A 53 0.591 -15.883 1.302 1.00 0.00 O ATOM 796 CB ASP A 53 -0.993 -14.696 -1.304 1.00 0.00 C ATOM 797 CG ASP A 53 -2.185 -15.381 -1.943 1.00 0.00 C ATOM 798 OD1 ASP A 53 -2.652 -16.398 -1.389 1.00 0.00 O ATOM 799 OD2 ASP A 53 -2.651 -14.899 -2.996 1.00 0.00 O ATOM 0 H ASP A 53 -1.775 -12.642 -0.173 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.785 -15.386 0.571 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.885 -13.696 -1.723 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.085 -15.246 -1.553 1.00 0.00 H new ATOM 804 N LEU A 54 1.015 -13.704 0.936 1.00 0.00 N ATOM 805 CA LEU A 54 2.345 -13.750 1.535 1.00 0.00 C ATOM 806 C LEU A 54 2.276 -13.473 3.033 1.00 0.00 C ATOM 807 O LEU A 54 3.304 -13.317 3.692 1.00 0.00 O ATOM 808 CB LEU A 54 3.266 -12.733 0.858 1.00 0.00 C ATOM 809 CG LEU A 54 3.546 -12.965 -0.627 1.00 0.00 C ATOM 810 CD1 LEU A 54 4.441 -11.867 -1.179 1.00 0.00 C ATOM 811 CD2 LEU A 54 4.181 -14.332 -0.842 1.00 0.00 C ATOM 0 H LEU A 54 0.743 -12.786 0.583 1.00 0.00 H new ATOM 0 HA LEU A 54 2.749 -14.751 1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.827 -11.742 0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.218 -12.724 1.390 1.00 0.00 H new ATOM 0 HG LEU A 54 2.598 -12.938 -1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.630 -12.049 -2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.949 -10.902 -1.059 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.387 -11.862 -0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.374 -14.481 -1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.120 -14.387 -0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.504 -15.108 -0.484 1.00 0.00 H new ATOM 823 N GLU A 55 1.059 -13.416 3.565 1.00 0.00 N ATOM 824 CA GLU A 55 0.858 -13.160 4.986 1.00 0.00 C ATOM 825 C GLU A 55 1.208 -11.716 5.333 1.00 0.00 C ATOM 826 O GLU A 55 2.028 -11.459 6.215 1.00 0.00 O ATOM 827 CB GLU A 55 1.706 -14.118 5.825 1.00 0.00 C ATOM 828 CG GLU A 55 1.176 -14.327 7.233 1.00 0.00 C ATOM 829 CD GLU A 55 1.901 -15.435 7.972 1.00 0.00 C ATOM 830 OE1 GLU A 55 3.114 -15.285 8.226 1.00 0.00 O ATOM 831 OE2 GLU A 55 1.254 -16.454 8.295 1.00 0.00 O ATOM 0 H GLU A 55 0.198 -13.544 3.033 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.195 -13.325 5.213 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.758 -15.082 5.319 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.724 -13.733 5.883 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.272 -13.398 7.795 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.113 -14.562 7.186 1.00 0.00 H new ATOM 838 N VAL A 56 0.581 -10.776 4.633 1.00 0.00 N ATOM 839 CA VAL A 56 0.825 -9.358 4.867 1.00 0.00 C ATOM 840 C VAL A 56 -0.406 -8.525 4.528 1.00 0.00 C ATOM 841 O VAL A 56 -0.947 -8.617 3.427 1.00 0.00 O ATOM 842 CB VAL A 56 2.019 -8.850 4.037 1.00 0.00 C ATOM 843 CG1 VAL A 56 1.563 -8.428 2.648 1.00 0.00 C ATOM 844 CG2 VAL A 56 2.713 -7.700 4.751 1.00 0.00 C ATOM 0 H VAL A 56 -0.100 -10.971 3.899 1.00 0.00 H new ATOM 0 HA VAL A 56 1.055 -9.247 5.927 1.00 0.00 H new ATOM 0 HB VAL A 56 2.735 -9.664 3.927 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.420 -8.072 2.076 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.115 -9.281 2.137 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.827 -7.629 2.734 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.554 -7.353 4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.007 -6.882 4.894 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.075 -8.040 5.721 1.00 0.00 H new ATOM 854 N ASN A 57 -0.845 -7.712 5.484 1.00 0.00 N ATOM 855 CA ASN A 57 -2.013 -6.862 5.287 1.00 0.00 C ATOM 856 C ASN A 57 -1.634 -5.575 4.560 1.00 0.00 C ATOM 857 O ASN A 57 -0.548 -5.032 4.764 1.00 0.00 O ATOM 858 CB ASN A 57 -2.660 -6.528 6.633 1.00 0.00 C ATOM 859 CG ASN A 57 -2.844 -7.754 7.506 1.00 0.00 C ATOM 860 OD1 ASN A 57 -3.370 -8.774 7.060 1.00 0.00 O ATOM 861 ND2 ASN A 57 -2.410 -7.660 8.757 1.00 0.00 N ATOM 0 H ASN A 57 -0.409 -7.624 6.402 1.00 0.00 H new ATOM 0 HA ASN A 57 -2.728 -7.408 4.673 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.042 -5.800 7.159 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.629 -6.059 6.461 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.506 -8.453 9.391 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.980 -6.795 9.084 1.00 0.00 H new ATOM 868 N ILE A 58 -2.536 -5.094 3.711 1.00 0.00 N ATOM 869 CA ILE A 58 -2.296 -3.871 2.955 1.00 0.00 C ATOM 870 C ILE A 58 -3.441 -2.880 3.135 1.00 0.00 C ATOM 871 O ILE A 58 -4.603 -3.209 2.898 1.00 0.00 O ATOM 872 CB ILE A 58 -2.117 -4.164 1.453 1.00 0.00 C ATOM 873 CG1 ILE A 58 -0.992 -5.179 1.239 1.00 0.00 C ATOM 874 CG2 ILE A 58 -1.829 -2.877 0.694 1.00 0.00 C ATOM 875 CD1 ILE A 58 -1.447 -6.617 1.349 1.00 0.00 C ATOM 0 H ILE A 58 -3.439 -5.532 3.530 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.376 -3.434 3.344 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.043 -4.591 1.068 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.552 -5.020 0.254 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.206 -4.998 1.972 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.705 -3.100 -0.366 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.660 -2.184 0.824 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.915 -2.424 1.079 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.598 -7.281 1.186 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.860 -6.793 2.342 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.212 -6.815 0.598 1.00 0.00 H new ATOM 887 N ALA A 59 -3.104 -1.665 3.555 1.00 0.00 N ATOM 888 CA ALA A 59 -4.104 -0.625 3.763 1.00 0.00 C ATOM 889 C ALA A 59 -3.742 0.644 2.999 1.00 0.00 C ATOM 890 O ALA A 59 -2.649 0.758 2.445 1.00 0.00 O ATOM 891 CB ALA A 59 -4.252 -0.325 5.248 1.00 0.00 C ATOM 0 H ALA A 59 -2.147 -1.377 3.758 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.057 -0.989 3.380 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.002 0.453 5.389 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.564 -1.228 5.772 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.297 0.015 5.647 1.00 0.00 H new ATOM 897 N LYS A 60 -4.667 1.598 2.973 1.00 0.00 N ATOM 898 CA LYS A 60 -4.447 2.860 2.278 1.00 0.00 C ATOM 899 C LYS A 60 -4.952 4.035 3.109 1.00 0.00 C ATOM 900 O LYS A 60 -6.002 3.952 3.746 1.00 0.00 O ATOM 901 CB LYS A 60 -5.148 2.846 0.917 1.00 0.00 C ATOM 902 CG LYS A 60 -6.656 3.001 1.009 1.00 0.00 C ATOM 903 CD LYS A 60 -7.335 2.628 -0.298 1.00 0.00 C ATOM 904 CE LYS A 60 -8.793 2.251 -0.081 1.00 0.00 C ATOM 905 NZ LYS A 60 -8.931 0.895 0.519 1.00 0.00 N ATOM 0 H LYS A 60 -5.577 1.520 3.426 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.374 2.979 2.126 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.745 3.651 0.302 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.918 1.910 0.408 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.039 2.371 1.812 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.902 4.031 1.267 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.274 3.466 -0.993 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.807 1.793 -0.758 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.265 2.986 0.570 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.322 2.282 -1.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.934 0.702 0.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.564 0.183 -0.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -8.391 0.852 1.407 1.00 0.00 H new ATOM 919 N VAL A 61 -4.198 5.129 3.098 1.00 0.00 N ATOM 920 CA VAL A 61 -4.570 6.322 3.849 1.00 0.00 C ATOM 921 C VAL A 61 -4.847 7.495 2.915 1.00 0.00 C ATOM 922 O VAL A 61 -4.227 7.621 1.859 1.00 0.00 O ATOM 923 CB VAL A 61 -3.468 6.724 4.847 1.00 0.00 C ATOM 924 CG1 VAL A 61 -3.739 8.109 5.413 1.00 0.00 C ATOM 925 CG2 VAL A 61 -3.360 5.695 5.963 1.00 0.00 C ATOM 0 H VAL A 61 -3.325 5.214 2.577 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.478 6.078 4.401 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.516 6.754 4.317 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.950 8.376 6.116 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.762 8.836 4.601 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.699 8.110 5.928 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.577 5.994 6.659 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -4.311 5.631 6.492 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.115 4.722 5.538 1.00 0.00 H new ATOM 935 N ASP A 62 -5.780 8.353 3.312 1.00 0.00 N ATOM 936 CA ASP A 62 -6.138 9.518 2.512 1.00 0.00 C ATOM 937 C ASP A 62 -5.664 10.804 3.182 1.00 0.00 C ATOM 938 O ASP A 62 -6.065 11.117 4.302 1.00 0.00 O ATOM 939 CB ASP A 62 -7.652 9.569 2.296 1.00 0.00 C ATOM 940 CG ASP A 62 -8.027 10.238 0.988 1.00 0.00 C ATOM 941 OD1 ASP A 62 -7.222 11.048 0.482 1.00 0.00 O ATOM 942 OD2 ASP A 62 -9.126 9.949 0.469 1.00 0.00 O ATOM 0 H ASP A 62 -6.302 8.264 4.184 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.643 9.430 1.545 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.053 8.555 2.310 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.116 10.107 3.122 1.00 0.00 H new ATOM 947 N VAL A 63 -4.806 11.545 2.487 1.00 0.00 N ATOM 948 CA VAL A 63 -4.276 12.797 3.014 1.00 0.00 C ATOM 949 C VAL A 63 -5.235 13.953 2.752 1.00 0.00 C ATOM 950 O VAL A 63 -4.819 15.106 2.636 1.00 0.00 O ATOM 951 CB VAL A 63 -2.906 13.131 2.396 1.00 0.00 C ATOM 952 CG1 VAL A 63 -1.909 12.016 2.673 1.00 0.00 C ATOM 953 CG2 VAL A 63 -3.042 13.376 0.901 1.00 0.00 C ATOM 0 H VAL A 63 -4.463 11.300 1.558 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.158 12.663 4.089 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.531 14.044 2.858 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.947 12.270 2.229 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.790 11.893 3.750 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.275 11.085 2.240 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.064 13.611 0.480 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.439 12.482 0.420 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.721 14.211 0.729 1.00 0.00 H new ATOM 963 N THR A 64 -6.523 13.637 2.661 1.00 0.00 N ATOM 964 CA THR A 64 -7.542 14.649 2.412 1.00 0.00 C ATOM 965 C THR A 64 -8.704 14.511 3.389 1.00 0.00 C ATOM 966 O THR A 64 -9.327 15.501 3.770 1.00 0.00 O ATOM 967 CB THR A 64 -8.084 14.558 0.973 1.00 0.00 C ATOM 968 OG1 THR A 64 -8.726 13.295 0.769 1.00 0.00 O ATOM 969 CG2 THR A 64 -6.962 14.732 -0.040 1.00 0.00 C ATOM 0 H THR A 64 -6.885 12.688 2.756 1.00 0.00 H new ATOM 0 HA THR A 64 -7.065 15.619 2.553 1.00 0.00 H new ATOM 0 HB THR A 64 -8.809 15.360 0.831 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.052 12.616 0.557 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.369 14.664 -1.049 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.495 15.707 0.098 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.217 13.950 0.104 1.00 0.00 H new ATOM 977 N GLU A 65 -8.989 13.276 3.792 1.00 0.00 N ATOM 978 CA GLU A 65 -10.077 13.011 4.726 1.00 0.00 C ATOM 979 C GLU A 65 -9.537 12.736 6.127 1.00 0.00 C ATOM 980 O GLU A 65 -10.249 12.892 7.118 1.00 0.00 O ATOM 981 CB GLU A 65 -10.911 11.821 4.247 1.00 0.00 C ATOM 982 CG GLU A 65 -11.798 12.139 3.055 1.00 0.00 C ATOM 983 CD GLU A 65 -13.125 12.750 3.462 1.00 0.00 C ATOM 984 OE1 GLU A 65 -13.200 13.993 3.561 1.00 0.00 O ATOM 985 OE2 GLU A 65 -14.088 11.986 3.682 1.00 0.00 O ATOM 0 H GLU A 65 -8.482 12.445 3.487 1.00 0.00 H new ATOM 0 HA GLU A 65 -10.710 13.897 4.767 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -10.242 11.002 3.983 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -11.534 11.471 5.070 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -11.274 12.826 2.390 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -11.981 11.226 2.489 1.00 0.00 H new ATOM 992 N GLN A 66 -8.275 12.326 6.198 1.00 0.00 N ATOM 993 CA GLN A 66 -7.639 12.029 7.476 1.00 0.00 C ATOM 994 C GLN A 66 -6.514 13.016 7.768 1.00 0.00 C ATOM 995 O GLN A 66 -5.339 12.748 7.519 1.00 0.00 O ATOM 996 CB GLN A 66 -7.093 10.600 7.478 1.00 0.00 C ATOM 997 CG GLN A 66 -8.170 9.537 7.331 1.00 0.00 C ATOM 998 CD GLN A 66 -9.130 9.513 8.504 1.00 0.00 C ATOM 999 OE1 GLN A 66 -8.723 9.657 9.658 1.00 0.00 O ATOM 1000 NE2 GLN A 66 -10.413 9.331 8.216 1.00 0.00 N ATOM 0 H GLN A 66 -7.673 12.192 5.386 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.392 12.124 8.258 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -6.375 10.493 6.665 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -6.550 10.429 8.407 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -8.729 9.716 6.413 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -7.699 8.559 7.232 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.707 9.216 7.246 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -11.105 9.306 8.965 1.00 0.00 H new ATOM 1009 N PRO A 67 -6.880 14.188 8.309 1.00 0.00 N ATOM 1010 CA PRO A 67 -5.916 15.239 8.647 1.00 0.00 C ATOM 1011 C PRO A 67 -5.033 14.858 9.829 1.00 0.00 C ATOM 1012 O PRO A 67 -3.929 15.378 9.986 1.00 0.00 O ATOM 1013 CB PRO A 67 -6.805 16.433 9.006 1.00 0.00 C ATOM 1014 CG PRO A 67 -8.092 15.827 9.449 1.00 0.00 C ATOM 1015 CD PRO A 67 -8.263 14.576 8.633 1.00 0.00 C ATOM 0 HA PRO A 67 -5.224 15.436 7.828 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.358 17.036 9.797 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.951 17.090 8.149 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -8.069 15.598 10.514 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.923 16.514 9.288 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.778 13.797 9.195 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -8.850 14.760 7.733 1.00 0.00 H new ATOM 1023 N GLY A 68 -5.526 13.945 10.661 1.00 0.00 N ATOM 1024 CA GLY A 68 -4.768 13.509 11.818 1.00 0.00 C ATOM 1025 C GLY A 68 -3.630 12.577 11.449 1.00 0.00 C ATOM 1026 O GLY A 68 -2.468 12.856 11.746 1.00 0.00 O ATOM 0 H GLY A 68 -6.437 13.500 10.554 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.366 14.381 12.335 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.435 13.004 12.516 1.00 0.00 H new ATOM 1030 N LEU A 69 -3.964 11.466 10.802 1.00 0.00 N ATOM 1031 CA LEU A 69 -2.962 10.488 10.393 1.00 0.00 C ATOM 1032 C LEU A 69 -1.786 11.171 9.701 1.00 0.00 C ATOM 1033 O LEU A 69 -0.627 10.906 10.021 1.00 0.00 O ATOM 1034 CB LEU A 69 -3.585 9.450 9.458 1.00 0.00 C ATOM 1035 CG LEU A 69 -4.298 8.279 10.136 1.00 0.00 C ATOM 1036 CD1 LEU A 69 -5.129 7.504 9.126 1.00 0.00 C ATOM 1037 CD2 LEU A 69 -3.291 7.363 10.816 1.00 0.00 C ATOM 0 H LEU A 69 -4.921 11.220 10.549 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.593 9.987 11.288 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.299 9.957 8.808 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.799 9.049 8.817 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.968 8.678 10.898 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.629 6.675 9.626 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.875 8.165 8.685 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.479 7.116 8.342 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.816 6.536 11.293 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.596 6.972 10.073 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.739 7.925 11.569 1.00 0.00 H new ATOM 1049 N SER A 70 -2.093 12.051 8.754 1.00 0.00 N ATOM 1050 CA SER A 70 -1.061 12.771 8.017 1.00 0.00 C ATOM 1051 C SER A 70 0.000 13.321 8.964 1.00 0.00 C ATOM 1052 O SER A 70 1.189 13.330 8.645 1.00 0.00 O ATOM 1053 CB SER A 70 -1.683 13.913 7.211 1.00 0.00 C ATOM 1054 OG SER A 70 -2.827 13.472 6.501 1.00 0.00 O ATOM 0 H SER A 70 -3.047 12.283 8.479 1.00 0.00 H new ATOM 0 HA SER A 70 -0.583 12.070 7.332 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.959 14.727 7.881 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.948 14.311 6.511 1.00 0.00 H new ATOM 0 HG SER A 70 -3.597 13.445 7.106 1.00 0.00 H new ATOM 1060 N GLY A 71 -0.438 13.780 10.132 1.00 0.00 N ATOM 1061 CA GLY A 71 0.486 14.327 11.109 1.00 0.00 C ATOM 1062 C GLY A 71 1.097 13.256 11.991 1.00 0.00 C ATOM 1063 O GLY A 71 2.257 13.358 12.389 1.00 0.00 O ATOM 0 H GLY A 71 -1.417 13.783 10.420 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.281 14.865 10.592 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.036 15.053 11.732 1.00 0.00 H new ATOM 1067 N ARG A 72 0.313 12.227 12.299 1.00 0.00 N ATOM 1068 CA ARG A 72 0.783 11.135 13.142 1.00 0.00 C ATOM 1069 C ARG A 72 2.066 10.528 12.581 1.00 0.00 C ATOM 1070 O ARG A 72 2.824 9.876 13.301 1.00 0.00 O ATOM 1071 CB ARG A 72 -0.294 10.055 13.263 1.00 0.00 C ATOM 1072 CG ARG A 72 -1.638 10.586 13.734 1.00 0.00 C ATOM 1073 CD ARG A 72 -1.754 10.543 15.249 1.00 0.00 C ATOM 1074 NE ARG A 72 -2.100 9.209 15.734 1.00 0.00 N ATOM 1075 CZ ARG A 72 -2.602 8.973 16.940 1.00 0.00 C ATOM 1076 NH1 ARG A 72 -2.817 9.976 17.781 1.00 0.00 N ATOM 1077 NH2 ARG A 72 -2.891 7.731 17.309 1.00 0.00 N ATOM 0 H ARG A 72 -0.650 12.127 11.977 1.00 0.00 H new ATOM 0 HA ARG A 72 0.995 11.539 14.132 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.423 9.572 12.294 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.048 9.289 13.958 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.767 11.611 13.387 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -2.440 9.996 13.290 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.810 10.857 15.694 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.512 11.255 15.575 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.947 8.415 15.112 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.597 10.932 17.502 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.203 9.791 18.707 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.727 6.957 16.666 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.277 7.551 18.236 1.00 0.00 H new ATOM 1091 N PHE A 73 2.303 10.746 11.292 1.00 0.00 N ATOM 1092 CA PHE A 73 3.493 10.219 10.634 1.00 0.00 C ATOM 1093 C PHE A 73 4.329 11.348 10.037 1.00 0.00 C ATOM 1094 O PHE A 73 5.464 11.135 9.610 1.00 0.00 O ATOM 1095 CB PHE A 73 3.099 9.228 9.537 1.00 0.00 C ATOM 1096 CG PHE A 73 2.401 8.004 10.059 1.00 0.00 C ATOM 1097 CD1 PHE A 73 1.075 8.064 10.458 1.00 0.00 C ATOM 1098 CD2 PHE A 73 3.070 6.794 10.150 1.00 0.00 C ATOM 1099 CE1 PHE A 73 0.431 6.939 10.939 1.00 0.00 C ATOM 1100 CE2 PHE A 73 2.431 5.667 10.630 1.00 0.00 C ATOM 1101 CZ PHE A 73 1.109 5.739 11.023 1.00 0.00 C ATOM 0 H PHE A 73 1.687 11.284 10.682 1.00 0.00 H new ATOM 0 HA PHE A 73 4.093 9.702 11.383 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.448 9.730 8.821 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.994 8.923 8.995 1.00 0.00 H new ATOM 0 HD1 PHE A 73 0.539 8.999 10.392 1.00 0.00 H new ATOM 0 HD2 PHE A 73 4.103 6.731 9.842 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.602 6.999 11.249 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.965 4.731 10.698 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.606 4.859 11.395 1.00 0.00 H new ATOM 1111 N ILE A 74 3.759 12.548 10.011 1.00 0.00 N ATOM 1112 CA ILE A 74 4.451 13.710 9.468 1.00 0.00 C ATOM 1113 C ILE A 74 4.885 13.467 8.026 1.00 0.00 C ATOM 1114 O ILE A 74 6.061 13.608 7.690 1.00 0.00 O ATOM 1115 CB ILE A 74 5.688 14.074 10.310 1.00 0.00 C ATOM 1116 CG1 ILE A 74 5.350 14.020 11.802 1.00 0.00 C ATOM 1117 CG2 ILE A 74 6.203 15.453 9.927 1.00 0.00 C ATOM 1118 CD1 ILE A 74 5.575 12.660 12.424 1.00 0.00 C ATOM 0 H ILE A 74 2.820 12.741 10.360 1.00 0.00 H new ATOM 0 HA ILE A 74 3.745 14.540 9.498 1.00 0.00 H new ATOM 0 HB ILE A 74 6.474 13.346 10.108 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.955 14.757 12.330 1.00 0.00 H new ATOM 0 HG13 ILE A 74 4.307 14.306 11.941 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.077 15.696 10.531 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.478 15.459 8.872 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.424 16.194 10.103 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.315 12.696 13.482 1.00 0.00 H new ATOM 0 HD12 ILE A 74 4.949 11.922 11.922 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.623 12.380 12.317 1.00 0.00 H new ATOM 1130 N ILE A 75 3.928 13.104 7.180 1.00 0.00 N ATOM 1131 CA ILE A 75 4.211 12.844 5.773 1.00 0.00 C ATOM 1132 C ILE A 75 4.320 14.145 4.985 1.00 0.00 C ATOM 1133 O ILE A 75 3.386 14.945 4.957 1.00 0.00 O ATOM 1134 CB ILE A 75 3.124 11.960 5.134 1.00 0.00 C ATOM 1135 CG1 ILE A 75 3.017 10.628 5.879 1.00 0.00 C ATOM 1136 CG2 ILE A 75 3.429 11.727 3.662 1.00 0.00 C ATOM 1137 CD1 ILE A 75 4.276 9.792 5.806 1.00 0.00 C ATOM 0 H ILE A 75 2.950 12.983 7.443 1.00 0.00 H new ATOM 0 HA ILE A 75 5.165 12.318 5.735 1.00 0.00 H new ATOM 0 HB ILE A 75 2.166 12.475 5.209 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.781 10.824 6.925 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.186 10.056 5.466 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.652 11.101 3.224 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.460 12.684 3.141 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.394 11.229 3.565 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.128 8.863 6.356 1.00 0.00 H new ATOM 0 HD12 ILE A 75 4.502 9.565 4.764 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.106 10.345 6.245 1.00 0.00 H new ATOM 1149 N ASN A 76 5.467 14.349 4.346 1.00 0.00 N ATOM 1150 CA ASN A 76 5.698 15.553 3.556 1.00 0.00 C ATOM 1151 C ASN A 76 5.754 15.224 2.067 1.00 0.00 C ATOM 1152 O ASN A 76 5.195 15.945 1.240 1.00 0.00 O ATOM 1153 CB ASN A 76 7.000 16.230 3.989 1.00 0.00 C ATOM 1154 CG ASN A 76 8.087 15.229 4.330 1.00 0.00 C ATOM 1155 OD1 ASN A 76 8.163 14.153 3.737 1.00 0.00 O ATOM 1156 ND2 ASN A 76 8.934 15.581 5.290 1.00 0.00 N ATOM 0 H ASN A 76 6.251 13.697 4.360 1.00 0.00 H new ATOM 0 HA ASN A 76 4.866 16.236 3.728 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.350 16.884 3.190 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.807 16.862 4.856 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.686 14.949 5.563 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.832 16.484 5.754 1.00 0.00 H new ATOM 1163 N ALA A 77 6.431 14.130 1.733 1.00 0.00 N ATOM 1164 CA ALA A 77 6.558 13.704 0.345 1.00 0.00 C ATOM 1165 C ALA A 77 5.589 12.570 0.028 1.00 0.00 C ATOM 1166 O ALA A 77 5.349 11.694 0.860 1.00 0.00 O ATOM 1167 CB ALA A 77 7.988 13.276 0.052 1.00 0.00 C ATOM 0 H ALA A 77 6.900 13.523 2.405 1.00 0.00 H new ATOM 0 HA ALA A 77 6.307 14.551 -0.293 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.067 12.960 -0.988 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.662 14.114 0.230 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.260 12.446 0.705 1.00 0.00 H new ATOM 1173 N LEU A 78 5.034 12.592 -1.178 1.00 0.00 N ATOM 1174 CA LEU A 78 4.089 11.565 -1.605 1.00 0.00 C ATOM 1175 C LEU A 78 4.272 11.238 -3.084 1.00 0.00 C ATOM 1176 O LEU A 78 4.696 12.074 -3.882 1.00 0.00 O ATOM 1177 CB LEU A 78 2.654 12.026 -1.346 1.00 0.00 C ATOM 1178 CG LEU A 78 2.308 12.363 0.105 1.00 0.00 C ATOM 1179 CD1 LEU A 78 1.235 13.438 0.162 1.00 0.00 C ATOM 1180 CD2 LEU A 78 1.856 11.115 0.849 1.00 0.00 C ATOM 0 H LEU A 78 5.222 13.310 -1.878 1.00 0.00 H new ATOM 0 HA LEU A 78 4.284 10.662 -1.026 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.461 12.907 -1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.975 11.245 -1.688 1.00 0.00 H new ATOM 0 HG LEU A 78 3.204 12.747 0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.002 13.665 1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.596 14.339 -0.334 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.336 13.082 -0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.614 11.374 1.880 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.973 10.701 0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.657 10.375 0.839 1.00 0.00 H new ATOM 1192 N PRO A 79 3.942 9.994 -3.460 1.00 0.00 N ATOM 1193 CA PRO A 79 3.437 8.990 -2.519 1.00 0.00 C ATOM 1194 C PRO A 79 4.510 8.517 -1.544 1.00 0.00 C ATOM 1195 O PRO A 79 5.693 8.818 -1.712 1.00 0.00 O ATOM 1196 CB PRO A 79 2.996 7.841 -3.428 1.00 0.00 C ATOM 1197 CG PRO A 79 3.823 7.992 -4.658 1.00 0.00 C ATOM 1198 CD PRO A 79 4.038 9.470 -4.833 1.00 0.00 C ATOM 0 HA PRO A 79 2.638 9.385 -1.892 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.165 6.874 -2.954 1.00 0.00 H new ATOM 0 HB3 PRO A 79 1.932 7.903 -3.656 1.00 0.00 H new ATOM 0 HG2 PRO A 79 4.774 7.469 -4.556 1.00 0.00 H new ATOM 0 HG3 PRO A 79 3.316 7.566 -5.524 1.00 0.00 H new ATOM 0 HD2 PRO A 79 5.010 9.685 -5.278 1.00 0.00 H new ATOM 0 HD3 PRO A 79 3.284 9.911 -5.485 1.00 0.00 H new ATOM 1206 N THR A 80 4.092 7.772 -0.525 1.00 0.00 N ATOM 1207 CA THR A 80 5.017 7.258 0.476 1.00 0.00 C ATOM 1208 C THR A 80 4.471 5.994 1.131 1.00 0.00 C ATOM 1209 O THR A 80 3.363 5.991 1.668 1.00 0.00 O ATOM 1210 CB THR A 80 5.303 8.306 1.568 1.00 0.00 C ATOM 1211 OG1 THR A 80 6.122 9.354 1.038 1.00 0.00 O ATOM 1212 CG2 THR A 80 5.997 7.668 2.762 1.00 0.00 C ATOM 0 H THR A 80 3.118 7.511 -0.372 1.00 0.00 H new ATOM 0 HA THR A 80 5.946 7.023 -0.043 1.00 0.00 H new ATOM 0 HB THR A 80 4.352 8.721 1.900 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.562 10.127 0.817 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.189 8.427 3.520 1.00 0.00 H new ATOM 0 HG22 THR A 80 5.359 6.890 3.181 1.00 0.00 H new ATOM 0 HG23 THR A 80 6.942 7.229 2.442 1.00 0.00 H new ATOM 1220 N ILE A 81 5.256 4.923 1.084 1.00 0.00 N ATOM 1221 CA ILE A 81 4.851 3.653 1.675 1.00 0.00 C ATOM 1222 C ILE A 81 5.569 3.409 2.997 1.00 0.00 C ATOM 1223 O ILE A 81 6.755 3.710 3.137 1.00 0.00 O ATOM 1224 CB ILE A 81 5.133 2.474 0.725 1.00 0.00 C ATOM 1225 CG1 ILE A 81 4.200 2.532 -0.486 1.00 0.00 C ATOM 1226 CG2 ILE A 81 4.975 1.152 1.460 1.00 0.00 C ATOM 1227 CD1 ILE A 81 4.763 1.856 -1.716 1.00 0.00 C ATOM 0 H ILE A 81 6.176 4.909 0.643 1.00 0.00 H new ATOM 0 HA ILE A 81 3.778 3.716 1.853 1.00 0.00 H new ATOM 0 HB ILE A 81 6.161 2.549 0.371 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.251 2.063 -0.226 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.987 3.575 -0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 81 5.178 0.329 0.775 1.00 0.00 H new ATOM 0 HG22 ILE A 81 5.677 1.113 2.293 1.00 0.00 H new ATOM 0 HG23 ILE A 81 3.957 1.066 1.840 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.048 1.936 -2.535 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.697 2.340 -2.001 1.00 0.00 H new ATOM 0 HD13 ILE A 81 4.950 0.804 -1.500 1.00 0.00 H new ATOM 1239 N TYR A 82 4.844 2.859 3.965 1.00 0.00 N ATOM 1240 CA TYR A 82 5.411 2.574 5.278 1.00 0.00 C ATOM 1241 C TYR A 82 5.156 1.125 5.679 1.00 0.00 C ATOM 1242 O TYR A 82 4.025 0.641 5.619 1.00 0.00 O ATOM 1243 CB TYR A 82 4.821 3.517 6.328 1.00 0.00 C ATOM 1244 CG TYR A 82 5.612 4.792 6.510 1.00 0.00 C ATOM 1245 CD1 TYR A 82 5.341 5.917 5.740 1.00 0.00 C ATOM 1246 CD2 TYR A 82 6.630 4.873 7.452 1.00 0.00 C ATOM 1247 CE1 TYR A 82 6.062 7.084 5.902 1.00 0.00 C ATOM 1248 CE2 TYR A 82 7.355 6.037 7.622 1.00 0.00 C ATOM 1249 CZ TYR A 82 7.067 7.139 6.845 1.00 0.00 C ATOM 1250 OH TYR A 82 7.788 8.300 7.011 1.00 0.00 O ATOM 0 H TYR A 82 3.862 2.602 3.865 1.00 0.00 H new ATOM 0 HA TYR A 82 6.488 2.732 5.222 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.800 3.771 6.043 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.765 2.995 7.283 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.553 5.878 5.002 1.00 0.00 H new ATOM 0 HD2 TYR A 82 6.859 4.011 8.062 1.00 0.00 H new ATOM 0 HE1 TYR A 82 5.840 7.948 5.294 1.00 0.00 H new ATOM 0 HE2 TYR A 82 8.143 6.083 8.359 1.00 0.00 H new ATOM 0 HH TYR A 82 8.457 8.172 7.715 1.00 0.00 H new ATOM 1260 N HIS A 83 6.217 0.435 6.088 1.00 0.00 N ATOM 1261 CA HIS A 83 6.109 -0.960 6.500 1.00 0.00 C ATOM 1262 C HIS A 83 6.033 -1.073 8.020 1.00 0.00 C ATOM 1263 O HIS A 83 7.003 -0.785 8.723 1.00 0.00 O ATOM 1264 CB HIS A 83 7.301 -1.762 5.977 1.00 0.00 C ATOM 1265 CG HIS A 83 7.282 -3.201 6.390 1.00 0.00 C ATOM 1266 ND1 HIS A 83 8.163 -3.733 7.308 1.00 0.00 N ATOM 1267 CD2 HIS A 83 6.480 -4.222 6.005 1.00 0.00 C ATOM 1268 CE1 HIS A 83 7.905 -5.018 7.469 1.00 0.00 C ATOM 1269 NE2 HIS A 83 6.888 -5.340 6.690 1.00 0.00 N ATOM 0 H HIS A 83 7.160 0.819 6.143 1.00 0.00 H new ATOM 0 HA HIS A 83 5.192 -1.368 6.076 1.00 0.00 H new ATOM 0 HB2 HIS A 83 7.317 -1.705 4.889 1.00 0.00 H new ATOM 0 HB3 HIS A 83 8.223 -1.302 6.334 1.00 0.00 H new ATOM 0 HD2 HIS A 83 5.671 -4.167 5.292 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.435 -5.691 8.126 1.00 0.00 H new ATOM 0 HE2 HIS A 83 6.473 -6.268 6.610 1.00 0.00 H new ATOM 1278 N CYS A 84 4.876 -1.491 8.520 1.00 0.00 N ATOM 1279 CA CYS A 84 4.672 -1.640 9.956 1.00 0.00 C ATOM 1280 C CYS A 84 4.678 -3.112 10.356 1.00 0.00 C ATOM 1281 O CYS A 84 3.738 -3.851 10.063 1.00 0.00 O ATOM 1282 CB CYS A 84 3.353 -0.991 10.376 1.00 0.00 C ATOM 1283 SG CYS A 84 3.268 -0.559 12.130 1.00 0.00 S ATOM 0 H CYS A 84 4.064 -1.733 7.952 1.00 0.00 H new ATOM 0 HA CYS A 84 5.494 -1.139 10.468 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.199 -0.089 9.783 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.535 -1.671 10.140 1.00 0.00 H new ATOM 0 HG CYS A 84 3.177 0.732 12.255 1.00 0.00 H new ATOM 1289 N LYS A 85 5.745 -3.533 11.027 1.00 0.00 N ATOM 1290 CA LYS A 85 5.876 -4.917 11.468 1.00 0.00 C ATOM 1291 C LYS A 85 5.941 -4.999 12.990 1.00 0.00 C ATOM 1292 O LYS A 85 6.976 -4.715 13.593 1.00 0.00 O ATOM 1293 CB LYS A 85 7.127 -5.552 10.858 1.00 0.00 C ATOM 1294 CG LYS A 85 7.260 -7.036 11.151 1.00 0.00 C ATOM 1295 CD LYS A 85 8.222 -7.711 10.187 1.00 0.00 C ATOM 1296 CE LYS A 85 8.304 -9.209 10.439 1.00 0.00 C ATOM 1297 NZ LYS A 85 7.005 -9.888 10.178 1.00 0.00 N ATOM 0 H LYS A 85 6.532 -2.935 11.278 1.00 0.00 H new ATOM 0 HA LYS A 85 4.997 -5.465 11.130 1.00 0.00 H new ATOM 0 HB2 LYS A 85 7.110 -5.403 9.778 1.00 0.00 H new ATOM 0 HB3 LYS A 85 8.008 -5.035 11.237 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.610 -7.176 12.174 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.281 -7.511 11.082 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.898 -7.531 9.162 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.213 -7.269 10.291 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.075 -9.643 9.802 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.606 -9.388 11.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 7.166 -10.907 10.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.368 -9.742 10.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.572 -9.490 9.320 1.00 0.00 H new ATOM 1311 N ASP A 86 4.830 -5.391 13.604 1.00 0.00 N ATOM 1312 CA ASP A 86 4.762 -5.513 15.056 1.00 0.00 C ATOM 1313 C ASP A 86 5.110 -4.190 15.730 1.00 0.00 C ATOM 1314 O ASP A 86 5.761 -4.165 16.774 1.00 0.00 O ATOM 1315 CB ASP A 86 5.709 -6.612 15.541 1.00 0.00 C ATOM 1316 CG ASP A 86 5.286 -7.193 16.876 1.00 0.00 C ATOM 1317 OD1 ASP A 86 4.446 -8.117 16.882 1.00 0.00 O ATOM 1318 OD2 ASP A 86 5.796 -6.723 17.915 1.00 0.00 O ATOM 0 H ASP A 86 3.965 -5.630 13.119 1.00 0.00 H new ATOM 0 HA ASP A 86 3.740 -5.779 15.326 1.00 0.00 H new ATOM 0 HB2 ASP A 86 5.748 -7.408 14.798 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.717 -6.207 15.627 1.00 0.00 H new ATOM 1323 N GLY A 87 4.673 -3.090 15.124 1.00 0.00 N ATOM 1324 CA GLY A 87 4.950 -1.778 15.679 1.00 0.00 C ATOM 1325 C GLY A 87 6.128 -1.101 15.008 1.00 0.00 C ATOM 1326 O GLY A 87 6.134 0.117 14.830 1.00 0.00 O ATOM 0 H GLY A 87 4.132 -3.084 14.259 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.066 -1.149 15.575 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.149 -1.873 16.746 1.00 0.00 H new ATOM 1330 N GLU A 88 7.130 -1.892 14.637 1.00 0.00 N ATOM 1331 CA GLU A 88 8.321 -1.360 13.984 1.00 0.00 C ATOM 1332 C GLU A 88 7.989 -0.836 12.590 1.00 0.00 C ATOM 1333 O GLU A 88 7.627 -1.602 11.697 1.00 0.00 O ATOM 1334 CB GLU A 88 9.403 -2.438 13.892 1.00 0.00 C ATOM 1335 CG GLU A 88 10.070 -2.747 15.222 1.00 0.00 C ATOM 1336 CD GLU A 88 11.032 -3.916 15.135 1.00 0.00 C ATOM 1337 OE1 GLU A 88 11.509 -4.208 14.019 1.00 0.00 O ATOM 1338 OE2 GLU A 88 11.307 -4.537 16.182 1.00 0.00 O ATOM 0 H GLU A 88 7.141 -2.902 14.777 1.00 0.00 H new ATOM 0 HA GLU A 88 8.694 -0.531 14.585 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.960 -3.352 13.496 1.00 0.00 H new ATOM 0 HB3 GLU A 88 10.163 -2.118 13.180 1.00 0.00 H new ATOM 0 HG2 GLU A 88 10.607 -1.864 15.568 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.304 -2.966 15.966 1.00 0.00 H new ATOM 1345 N PHE A 89 8.115 0.474 12.411 1.00 0.00 N ATOM 1346 CA PHE A 89 7.828 1.102 11.127 1.00 0.00 C ATOM 1347 C PHE A 89 9.098 1.240 10.292 1.00 0.00 C ATOM 1348 O PHE A 89 10.150 1.624 10.803 1.00 0.00 O ATOM 1349 CB PHE A 89 7.191 2.477 11.338 1.00 0.00 C ATOM 1350 CG PHE A 89 5.697 2.431 11.481 1.00 0.00 C ATOM 1351 CD1 PHE A 89 4.884 2.324 10.364 1.00 0.00 C ATOM 1352 CD2 PHE A 89 5.104 2.495 12.732 1.00 0.00 C ATOM 1353 CE1 PHE A 89 3.509 2.280 10.491 1.00 0.00 C ATOM 1354 CE2 PHE A 89 3.730 2.452 12.865 1.00 0.00 C ATOM 1355 CZ PHE A 89 2.931 2.345 11.743 1.00 0.00 C ATOM 0 H PHE A 89 8.414 1.122 13.140 1.00 0.00 H new ATOM 0 HA PHE A 89 7.128 0.464 10.588 1.00 0.00 H new ATOM 0 HB2 PHE A 89 7.619 2.934 12.230 1.00 0.00 H new ATOM 0 HB3 PHE A 89 7.448 3.120 10.496 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.331 2.274 9.382 1.00 0.00 H new ATOM 0 HD2 PHE A 89 5.723 2.579 13.613 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.887 2.195 9.612 1.00 0.00 H new ATOM 0 HE2 PHE A 89 3.280 2.502 13.846 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.856 2.312 11.845 1.00 0.00 H new ATOM 1365 N ARG A 90 8.991 0.923 9.006 1.00 0.00 N ATOM 1366 CA ARG A 90 10.130 1.009 8.101 1.00 0.00 C ATOM 1367 C ARG A 90 9.723 1.644 6.774 1.00 0.00 C ATOM 1368 O ARG A 90 8.877 1.115 6.055 1.00 0.00 O ATOM 1369 CB ARG A 90 10.718 -0.381 7.853 1.00 0.00 C ATOM 1370 CG ARG A 90 11.682 -0.837 8.937 1.00 0.00 C ATOM 1371 CD ARG A 90 12.282 -2.196 8.613 1.00 0.00 C ATOM 1372 NE ARG A 90 13.193 -2.654 9.659 1.00 0.00 N ATOM 1373 CZ ARG A 90 12.788 -3.130 10.831 1.00 0.00 C ATOM 1374 NH1 ARG A 90 11.493 -3.209 11.106 1.00 0.00 N ATOM 1375 NH2 ARG A 90 13.678 -3.528 11.731 1.00 0.00 N ATOM 0 H ARG A 90 8.127 0.604 8.568 1.00 0.00 H new ATOM 0 HA ARG A 90 10.887 1.638 8.569 1.00 0.00 H new ATOM 0 HB2 ARG A 90 9.904 -1.102 7.776 1.00 0.00 H new ATOM 0 HB3 ARG A 90 11.236 -0.381 6.894 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.480 -0.103 9.048 1.00 0.00 H new ATOM 0 HG3 ARG A 90 11.160 -0.887 9.892 1.00 0.00 H new ATOM 0 HD2 ARG A 90 11.482 -2.925 8.484 1.00 0.00 H new ATOM 0 HD3 ARG A 90 12.817 -2.140 7.665 1.00 0.00 H new ATOM 0 HE ARG A 90 14.196 -2.606 9.479 1.00 0.00 H new ATOM 0 HH11 ARG A 90 10.806 -2.904 10.417 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.184 -3.575 12.007 1.00 0.00 H new ATOM 0 HH21 ARG A 90 14.675 -3.469 11.523 1.00 0.00 H new ATOM 0 HH22 ARG A 90 13.365 -3.893 12.631 1.00 0.00 H new ATOM 1389 N ARG A 91 10.332 2.783 6.458 1.00 0.00 N ATOM 1390 CA ARG A 91 10.032 3.491 5.220 1.00 0.00 C ATOM 1391 C ARG A 91 10.437 2.659 4.006 1.00 0.00 C ATOM 1392 O ARG A 91 11.502 2.042 3.991 1.00 0.00 O ATOM 1393 CB ARG A 91 10.754 4.840 5.191 1.00 0.00 C ATOM 1394 CG ARG A 91 10.541 5.617 3.902 1.00 0.00 C ATOM 1395 CD ARG A 91 10.765 7.107 4.107 1.00 0.00 C ATOM 1396 NE ARG A 91 12.167 7.479 3.936 1.00 0.00 N ATOM 1397 CZ ARG A 91 12.734 8.510 4.552 1.00 0.00 C ATOM 1398 NH1 ARG A 91 12.023 9.267 5.376 1.00 0.00 N ATOM 1399 NH2 ARG A 91 14.016 8.785 4.344 1.00 0.00 N ATOM 0 H ARG A 91 11.036 3.234 7.042 1.00 0.00 H new ATOM 0 HA ARG A 91 8.956 3.661 5.180 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.411 5.444 6.031 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.822 4.674 5.333 1.00 0.00 H new ATOM 0 HG2 ARG A 91 11.223 5.247 3.136 1.00 0.00 H new ATOM 0 HG3 ARG A 91 9.528 5.447 3.536 1.00 0.00 H new ATOM 0 HD2 ARG A 91 10.153 7.666 3.399 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.435 7.389 5.107 1.00 0.00 H new ATOM 0 HE ARG A 91 12.742 6.916 3.309 1.00 0.00 H new ATOM 0 HH11 ARG A 91 11.038 9.058 5.538 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.461 10.058 5.848 1.00 0.00 H new ATOM 0 HH21 ARG A 91 14.566 8.204 3.711 1.00 0.00 H new ATOM 0 HH22 ARG A 91 14.451 9.577 4.817 1.00 0.00 H new ATOM 1413 N TYR A 92 9.580 2.648 2.991 1.00 0.00 N ATOM 1414 CA TYR A 92 9.847 1.890 1.774 1.00 0.00 C ATOM 1415 C TYR A 92 10.859 2.614 0.892 1.00 0.00 C ATOM 1416 O TYR A 92 10.799 3.833 0.733 1.00 0.00 O ATOM 1417 CB TYR A 92 8.549 1.659 0.998 1.00 0.00 C ATOM 1418 CG TYR A 92 8.677 0.630 -0.103 1.00 0.00 C ATOM 1419 CD1 TYR A 92 9.106 -0.662 0.173 1.00 0.00 C ATOM 1420 CD2 TYR A 92 8.369 0.951 -1.419 1.00 0.00 C ATOM 1421 CE1 TYR A 92 9.225 -1.604 -0.830 1.00 0.00 C ATOM 1422 CE2 TYR A 92 8.483 0.014 -2.428 1.00 0.00 C ATOM 1423 CZ TYR A 92 8.913 -1.262 -2.129 1.00 0.00 C ATOM 1424 OH TYR A 92 9.029 -2.198 -3.130 1.00 0.00 O ATOM 0 H TYR A 92 8.695 3.155 2.987 1.00 0.00 H new ATOM 0 HA TYR A 92 10.268 0.926 2.061 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.772 1.341 1.693 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.222 2.604 0.565 1.00 0.00 H new ATOM 0 HD1 TYR A 92 9.351 -0.935 1.189 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.035 1.950 -1.657 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.561 -2.604 -0.598 1.00 0.00 H new ATOM 0 HE2 TYR A 92 8.237 0.279 -3.446 1.00 0.00 H new ATOM 0 HH TYR A 92 8.770 -1.796 -3.985 1.00 0.00 H new ATOM 1434 N GLN A 93 11.787 1.854 0.321 1.00 0.00 N ATOM 1435 CA GLN A 93 12.813 2.423 -0.546 1.00 0.00 C ATOM 1436 C GLN A 93 12.923 1.636 -1.848 1.00 0.00 C ATOM 1437 O GLN A 93 13.936 0.987 -2.109 1.00 0.00 O ATOM 1438 CB GLN A 93 14.164 2.439 0.171 1.00 0.00 C ATOM 1439 CG GLN A 93 14.153 3.224 1.472 1.00 0.00 C ATOM 1440 CD GLN A 93 15.536 3.690 1.884 1.00 0.00 C ATOM 1441 OE1 GLN A 93 16.507 3.518 1.147 1.00 0.00 O ATOM 1442 NE2 GLN A 93 15.632 4.285 3.067 1.00 0.00 N ATOM 0 H GLN A 93 11.850 0.843 0.443 1.00 0.00 H new ATOM 0 HA GLN A 93 12.525 3.447 -0.785 1.00 0.00 H new ATOM 0 HB2 GLN A 93 14.468 1.413 0.378 1.00 0.00 H new ATOM 0 HB3 GLN A 93 14.914 2.866 -0.495 1.00 0.00 H new ATOM 0 HG2 GLN A 93 13.499 4.089 1.364 1.00 0.00 H new ATOM 0 HG3 GLN A 93 13.732 2.603 2.263 1.00 0.00 H new ATOM 0 HE21 GLN A 93 14.801 4.407 3.646 1.00 0.00 H new ATOM 0 HE22 GLN A 93 16.537 4.620 3.397 1.00 0.00 H new ATOM 1451 N GLY A 94 11.874 1.697 -2.662 1.00 0.00 N ATOM 1452 CA GLY A 94 11.873 0.986 -3.927 1.00 0.00 C ATOM 1453 C GLY A 94 11.098 1.718 -5.004 1.00 0.00 C ATOM 1454 O GLY A 94 10.490 2.760 -4.761 1.00 0.00 O ATOM 0 H GLY A 94 11.024 2.227 -2.468 1.00 0.00 H new ATOM 0 HA2 GLY A 94 12.901 0.841 -4.259 1.00 0.00 H new ATOM 0 HA3 GLY A 94 11.441 -0.004 -3.783 1.00 0.00 H new ATOM 1458 N PRO A 95 11.116 1.170 -6.228 1.00 0.00 N ATOM 1459 CA PRO A 95 10.415 1.762 -7.371 1.00 0.00 C ATOM 1460 C PRO A 95 8.900 1.658 -7.239 1.00 0.00 C ATOM 1461 O PRO A 95 8.158 2.160 -8.084 1.00 0.00 O ATOM 1462 CB PRO A 95 10.907 0.930 -8.558 1.00 0.00 C ATOM 1463 CG PRO A 95 11.300 -0.379 -7.966 1.00 0.00 C ATOM 1464 CD PRO A 95 11.821 -0.072 -6.590 1.00 0.00 C ATOM 0 HA PRO A 95 10.619 2.828 -7.467 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.124 0.807 -9.307 1.00 0.00 H new ATOM 0 HB3 PRO A 95 11.751 1.409 -9.055 1.00 0.00 H new ATOM 0 HG2 PRO A 95 10.448 -1.057 -7.918 1.00 0.00 H new ATOM 0 HG3 PRO A 95 12.063 -0.868 -8.572 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.603 -0.877 -5.889 1.00 0.00 H new ATOM 0 HD3 PRO A 95 12.902 0.065 -6.591 1.00 0.00 H new ATOM 1472 N ARG A 96 8.446 1.004 -6.175 1.00 0.00 N ATOM 1473 CA ARG A 96 7.019 0.834 -5.934 1.00 0.00 C ATOM 1474 C ARG A 96 6.360 0.072 -7.081 1.00 0.00 C ATOM 1475 O ARG A 96 5.388 0.541 -7.675 1.00 0.00 O ATOM 1476 CB ARG A 96 6.344 2.195 -5.757 1.00 0.00 C ATOM 1477 CG ARG A 96 7.017 3.078 -4.719 1.00 0.00 C ATOM 1478 CD ARG A 96 6.196 4.326 -4.433 1.00 0.00 C ATOM 1479 NE ARG A 96 6.988 5.364 -3.780 1.00 0.00 N ATOM 1480 CZ ARG A 96 7.915 6.083 -4.403 1.00 0.00 C ATOM 1481 NH1 ARG A 96 8.164 5.877 -5.689 1.00 0.00 N ATOM 1482 NH2 ARG A 96 8.594 7.011 -3.741 1.00 0.00 N ATOM 0 H ARG A 96 9.046 0.583 -5.466 1.00 0.00 H new ATOM 0 HA ARG A 96 6.898 0.254 -5.019 1.00 0.00 H new ATOM 0 HB2 ARG A 96 6.337 2.715 -6.715 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.304 2.041 -5.471 1.00 0.00 H new ATOM 0 HG2 ARG A 96 7.158 2.515 -3.797 1.00 0.00 H new ATOM 0 HG3 ARG A 96 8.008 3.366 -5.071 1.00 0.00 H new ATOM 0 HD2 ARG A 96 5.789 4.714 -5.367 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.348 4.065 -3.800 1.00 0.00 H new ATOM 0 HE ARG A 96 6.820 5.547 -2.791 1.00 0.00 H new ATOM 0 HH11 ARG A 96 7.643 5.165 -6.202 1.00 0.00 H new ATOM 0 HH12 ARG A 96 8.876 6.430 -6.166 1.00 0.00 H new ATOM 0 HH21 ARG A 96 8.405 7.173 -2.752 1.00 0.00 H new ATOM 0 HH22 ARG A 96 9.305 7.562 -4.221 1.00 0.00 H new ATOM 1496 N THR A 97 6.897 -1.104 -7.389 1.00 0.00 N ATOM 1497 CA THR A 97 6.363 -1.929 -8.465 1.00 0.00 C ATOM 1498 C THR A 97 5.888 -3.279 -7.939 1.00 0.00 C ATOM 1499 O THR A 97 6.509 -3.865 -7.052 1.00 0.00 O ATOM 1500 CB THR A 97 7.413 -2.162 -9.568 1.00 0.00 C ATOM 1501 OG1 THR A 97 8.622 -2.673 -8.994 1.00 0.00 O ATOM 1502 CG2 THR A 97 7.708 -0.870 -10.316 1.00 0.00 C ATOM 0 H THR A 97 7.702 -1.507 -6.908 1.00 0.00 H new ATOM 0 HA THR A 97 5.516 -1.388 -8.887 1.00 0.00 H new ATOM 0 HB THR A 97 7.011 -2.889 -10.274 1.00 0.00 H new ATOM 0 HG1 THR A 97 9.284 -2.820 -9.702 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.452 -1.059 -11.090 1.00 0.00 H new ATOM 0 HG22 THR A 97 6.792 -0.499 -10.776 1.00 0.00 H new ATOM 0 HG23 THR A 97 8.091 -0.125 -9.619 1.00 0.00 H new ATOM 1510 N LYS A 98 4.784 -3.769 -8.492 1.00 0.00 N ATOM 1511 CA LYS A 98 4.225 -5.051 -8.081 1.00 0.00 C ATOM 1512 C LYS A 98 5.332 -6.034 -7.713 1.00 0.00 C ATOM 1513 O LYS A 98 5.389 -6.528 -6.586 1.00 0.00 O ATOM 1514 CB LYS A 98 3.360 -5.636 -9.200 1.00 0.00 C ATOM 1515 CG LYS A 98 2.296 -6.600 -8.705 1.00 0.00 C ATOM 1516 CD LYS A 98 1.761 -7.468 -9.832 1.00 0.00 C ATOM 1517 CE LYS A 98 2.560 -8.755 -9.972 1.00 0.00 C ATOM 1518 NZ LYS A 98 2.041 -9.613 -11.073 1.00 0.00 N ATOM 0 H LYS A 98 4.258 -3.297 -9.227 1.00 0.00 H new ATOM 0 HA LYS A 98 3.605 -4.883 -7.201 1.00 0.00 H new ATOM 0 HB2 LYS A 98 2.877 -4.821 -9.739 1.00 0.00 H new ATOM 0 HB3 LYS A 98 4.003 -6.152 -9.913 1.00 0.00 H new ATOM 0 HG2 LYS A 98 2.714 -7.234 -7.923 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.476 -6.039 -8.256 1.00 0.00 H new ATOM 0 HD2 LYS A 98 0.714 -7.707 -9.643 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.797 -6.912 -10.769 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.606 -8.514 -10.162 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.525 -9.308 -9.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.612 -10.480 -11.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 1.050 -9.864 -10.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 2.098 -9.095 -11.973 1.00 0.00 H new ATOM 1532 N LYS A 99 6.212 -6.313 -8.669 1.00 0.00 N ATOM 1533 CA LYS A 99 7.319 -7.234 -8.445 1.00 0.00 C ATOM 1534 C LYS A 99 8.083 -6.868 -7.176 1.00 0.00 C ATOM 1535 O LYS A 99 8.053 -7.603 -6.189 1.00 0.00 O ATOM 1536 CB LYS A 99 8.269 -7.224 -9.645 1.00 0.00 C ATOM 1537 CG LYS A 99 9.561 -7.985 -9.405 1.00 0.00 C ATOM 1538 CD LYS A 99 10.700 -7.427 -10.242 1.00 0.00 C ATOM 1539 CE LYS A 99 11.447 -6.326 -9.504 1.00 0.00 C ATOM 1540 NZ LYS A 99 12.868 -6.233 -9.938 1.00 0.00 N ATOM 0 H LYS A 99 6.179 -5.914 -9.607 1.00 0.00 H new ATOM 0 HA LYS A 99 6.906 -8.236 -8.324 1.00 0.00 H new ATOM 0 HB2 LYS A 99 7.758 -7.655 -10.506 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.507 -6.191 -9.900 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.825 -7.932 -8.349 1.00 0.00 H new ATOM 0 HG3 LYS A 99 9.414 -9.038 -9.645 1.00 0.00 H new ATOM 0 HD2 LYS A 99 11.392 -8.229 -10.498 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.306 -7.035 -11.180 1.00 0.00 H new ATOM 0 HE2 LYS A 99 10.951 -5.371 -9.678 1.00 0.00 H new ATOM 0 HE3 LYS A 99 11.407 -6.516 -8.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 13.342 -5.471 -9.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 13.349 -7.136 -9.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 12.907 -6.027 -10.957 1.00 0.00 H new ATOM 1554 N ASP A 100 8.766 -5.729 -7.210 1.00 0.00 N ATOM 1555 CA ASP A 100 9.536 -5.265 -6.062 1.00 0.00 C ATOM 1556 C ASP A 100 8.810 -5.580 -4.758 1.00 0.00 C ATOM 1557 O ASP A 100 9.339 -6.281 -3.894 1.00 0.00 O ATOM 1558 CB ASP A 100 9.792 -3.761 -6.167 1.00 0.00 C ATOM 1559 CG ASP A 100 11.066 -3.442 -6.924 1.00 0.00 C ATOM 1560 OD1 ASP A 100 11.070 -3.584 -8.165 1.00 0.00 O ATOM 1561 OD2 ASP A 100 12.059 -3.050 -6.276 1.00 0.00 O ATOM 0 H ASP A 100 8.802 -5.110 -8.020 1.00 0.00 H new ATOM 0 HA ASP A 100 10.492 -5.789 -6.061 1.00 0.00 H new ATOM 0 HB2 ASP A 100 8.948 -3.286 -6.666 1.00 0.00 H new ATOM 0 HB3 ASP A 100 9.851 -3.335 -5.166 1.00 0.00 H new ATOM 1566 N PHE A 101 7.596 -5.057 -4.621 1.00 0.00 N ATOM 1567 CA PHE A 101 6.798 -5.281 -3.421 1.00 0.00 C ATOM 1568 C PHE A 101 6.998 -6.697 -2.891 1.00 0.00 C ATOM 1569 O PHE A 101 7.510 -6.892 -1.788 1.00 0.00 O ATOM 1570 CB PHE A 101 5.316 -5.039 -3.716 1.00 0.00 C ATOM 1571 CG PHE A 101 4.940 -3.585 -3.747 1.00 0.00 C ATOM 1572 CD1 PHE A 101 5.321 -2.736 -2.720 1.00 0.00 C ATOM 1573 CD2 PHE A 101 4.207 -3.068 -4.802 1.00 0.00 C ATOM 1574 CE1 PHE A 101 4.975 -1.398 -2.746 1.00 0.00 C ATOM 1575 CE2 PHE A 101 3.859 -1.731 -4.833 1.00 0.00 C ATOM 1576 CZ PHE A 101 4.245 -0.894 -3.804 1.00 0.00 C ATOM 0 H PHE A 101 7.143 -4.475 -5.326 1.00 0.00 H new ATOM 0 HA PHE A 101 7.129 -4.577 -2.658 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.066 -5.491 -4.676 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.716 -5.545 -2.960 1.00 0.00 H new ATOM 0 HD1 PHE A 101 5.894 -3.124 -1.891 1.00 0.00 H new ATOM 0 HD2 PHE A 101 3.904 -3.717 -5.610 1.00 0.00 H new ATOM 0 HE1 PHE A 101 5.276 -0.747 -1.939 1.00 0.00 H new ATOM 0 HE2 PHE A 101 3.286 -1.341 -5.661 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.976 0.152 -3.827 1.00 0.00 H new ATOM 1586 N ILE A 102 6.591 -7.682 -3.684 1.00 0.00 N ATOM 1587 CA ILE A 102 6.726 -9.081 -3.295 1.00 0.00 C ATOM 1588 C ILE A 102 7.979 -9.299 -2.454 1.00 0.00 C ATOM 1589 O ILE A 102 7.896 -9.571 -1.258 1.00 0.00 O ATOM 1590 CB ILE A 102 6.780 -10.005 -4.526 1.00 0.00 C ATOM 1591 CG1 ILE A 102 5.387 -10.155 -5.140 1.00 0.00 C ATOM 1592 CG2 ILE A 102 7.346 -11.364 -4.144 1.00 0.00 C ATOM 1593 CD1 ILE A 102 5.096 -9.150 -6.233 1.00 0.00 C ATOM 0 H ILE A 102 6.165 -7.538 -4.600 1.00 0.00 H new ATOM 0 HA ILE A 102 5.846 -9.330 -2.702 1.00 0.00 H new ATOM 0 HB ILE A 102 7.438 -9.556 -5.270 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.285 -11.161 -5.546 1.00 0.00 H new ATOM 0 HG13 ILE A 102 4.639 -10.051 -4.354 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.378 -12.006 -5.025 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.354 -11.240 -3.749 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.712 -11.822 -3.384 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.091 -9.316 -6.622 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.166 -8.141 -5.827 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.821 -9.268 -7.038 1.00 0.00 H new ATOM 1605 N ASN A 103 9.140 -9.176 -3.089 1.00 0.00 N ATOM 1606 CA ASN A 103 10.412 -9.359 -2.399 1.00 0.00 C ATOM 1607 C ASN A 103 10.406 -8.648 -1.050 1.00 0.00 C ATOM 1608 O ASN A 103 10.555 -9.279 -0.003 1.00 0.00 O ATOM 1609 CB ASN A 103 11.563 -8.833 -3.260 1.00 0.00 C ATOM 1610 CG ASN A 103 11.389 -9.172 -4.728 1.00 0.00 C ATOM 1611 OD1 ASN A 103 11.148 -10.325 -5.086 1.00 0.00 O ATOM 1612 ND2 ASN A 103 11.511 -8.165 -5.585 1.00 0.00 N ATOM 0 H ASN A 103 9.226 -8.950 -4.080 1.00 0.00 H new ATOM 0 HA ASN A 103 10.553 -10.426 -2.227 1.00 0.00 H new ATOM 0 HB2 ASN A 103 11.634 -7.751 -3.146 1.00 0.00 H new ATOM 0 HB3 ASN A 103 12.503 -9.253 -2.902 1.00 0.00 H new ATOM 0 HD21 ASN A 103 11.404 -8.331 -6.586 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.711 -7.225 -5.243 1.00 0.00 H new ATOM 1619 N PHE A 104 10.231 -7.331 -1.082 1.00 0.00 N ATOM 1620 CA PHE A 104 10.205 -6.533 0.139 1.00 0.00 C ATOM 1621 C PHE A 104 9.472 -7.271 1.255 1.00 0.00 C ATOM 1622 O PHE A 104 9.726 -7.040 2.438 1.00 0.00 O ATOM 1623 CB PHE A 104 9.533 -5.184 -0.123 1.00 0.00 C ATOM 1624 CG PHE A 104 9.454 -4.308 1.095 1.00 0.00 C ATOM 1625 CD1 PHE A 104 10.606 -3.912 1.756 1.00 0.00 C ATOM 1626 CD2 PHE A 104 8.228 -3.880 1.578 1.00 0.00 C ATOM 1627 CE1 PHE A 104 10.537 -3.106 2.876 1.00 0.00 C ATOM 1628 CE2 PHE A 104 8.153 -3.073 2.697 1.00 0.00 C ATOM 1629 CZ PHE A 104 9.308 -2.686 3.348 1.00 0.00 C ATOM 0 H PHE A 104 10.105 -6.794 -1.940 1.00 0.00 H new ATOM 0 HA PHE A 104 11.234 -6.363 0.455 1.00 0.00 H new ATOM 0 HB2 PHE A 104 10.083 -4.659 -0.904 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.526 -5.356 -0.503 1.00 0.00 H new ATOM 0 HD1 PHE A 104 11.569 -4.237 1.391 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.321 -4.180 1.074 1.00 0.00 H new ATOM 0 HE1 PHE A 104 11.442 -2.805 3.382 1.00 0.00 H new ATOM 0 HE2 PHE A 104 7.191 -2.745 3.063 1.00 0.00 H new ATOM 0 HZ PHE A 104 9.251 -2.057 4.224 1.00 0.00 H new ATOM 1639 N ILE A 105 8.562 -8.159 0.871 1.00 0.00 N ATOM 1640 CA ILE A 105 7.792 -8.931 1.839 1.00 0.00 C ATOM 1641 C ILE A 105 8.375 -10.330 2.015 1.00 0.00 C ATOM 1642 O ILE A 105 8.816 -10.697 3.103 1.00 0.00 O ATOM 1643 CB ILE A 105 6.316 -9.052 1.416 1.00 0.00 C ATOM 1644 CG1 ILE A 105 5.680 -7.665 1.303 1.00 0.00 C ATOM 1645 CG2 ILE A 105 5.549 -9.912 2.410 1.00 0.00 C ATOM 1646 CD1 ILE A 105 5.813 -6.834 2.560 1.00 0.00 C ATOM 0 H ILE A 105 8.339 -8.362 -0.103 1.00 0.00 H new ATOM 0 HA ILE A 105 7.847 -8.395 2.786 1.00 0.00 H new ATOM 0 HB ILE A 105 6.272 -9.533 0.439 1.00 0.00 H new ATOM 0 HG12 ILE A 105 6.141 -7.130 0.473 1.00 0.00 H new ATOM 0 HG13 ILE A 105 4.623 -7.778 1.062 1.00 0.00 H new ATOM 0 HG21 ILE A 105 4.508 -9.988 2.098 1.00 0.00 H new ATOM 0 HG22 ILE A 105 5.991 -10.908 2.446 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.599 -9.457 3.399 1.00 0.00 H new ATOM 0 HD11 ILE A 105 5.340 -5.864 2.407 1.00 0.00 H new ATOM 0 HD12 ILE A 105 5.327 -7.348 3.389 1.00 0.00 H new ATOM 0 HD13 ILE A 105 6.868 -6.690 2.791 1.00 0.00 H new ATOM 1658 N SER A 106 8.374 -11.105 0.935 1.00 0.00 N ATOM 1659 CA SER A 106 8.901 -12.464 0.970 1.00 0.00 C ATOM 1660 C SER A 106 10.369 -12.468 1.385 1.00 0.00 C ATOM 1661 O SER A 106 10.771 -13.212 2.279 1.00 0.00 O ATOM 1662 CB SER A 106 8.744 -13.130 -0.398 1.00 0.00 C ATOM 1663 OG SER A 106 7.474 -13.746 -0.524 1.00 0.00 O ATOM 0 H SER A 106 8.014 -10.815 0.026 1.00 0.00 H new ATOM 0 HA SER A 106 8.332 -13.029 1.709 1.00 0.00 H new ATOM 0 HB2 SER A 106 8.870 -12.386 -1.185 1.00 0.00 H new ATOM 0 HB3 SER A 106 9.528 -13.875 -0.535 1.00 0.00 H new ATOM 0 HG SER A 106 7.399 -14.163 -1.408 1.00 0.00 H new ATOM 1669 N ASP A 107 11.164 -11.630 0.729 1.00 0.00 N ATOM 1670 CA ASP A 107 12.588 -11.534 1.029 1.00 0.00 C ATOM 1671 C ASP A 107 12.824 -10.693 2.280 1.00 0.00 C ATOM 1672 O ASP A 107 13.958 -10.331 2.593 1.00 0.00 O ATOM 1673 CB ASP A 107 13.341 -10.929 -0.156 1.00 0.00 C ATOM 1674 CG ASP A 107 13.805 -11.980 -1.145 1.00 0.00 C ATOM 1675 OD1 ASP A 107 13.020 -12.329 -2.052 1.00 0.00 O ATOM 1676 OD2 ASP A 107 14.952 -12.454 -1.012 1.00 0.00 O ATOM 0 H ASP A 107 10.847 -11.007 -0.014 1.00 0.00 H new ATOM 0 HA ASP A 107 12.964 -12.540 1.213 1.00 0.00 H new ATOM 0 HB2 ASP A 107 12.695 -10.214 -0.666 1.00 0.00 H new ATOM 0 HB3 ASP A 107 14.204 -10.374 0.211 1.00 0.00 H new ATOM 1681 N LYS A 108 11.745 -10.386 2.993 1.00 0.00 N ATOM 1682 CA LYS A 108 11.833 -9.588 4.210 1.00 0.00 C ATOM 1683 C LYS A 108 12.934 -8.538 4.094 1.00 0.00 C ATOM 1684 O LYS A 108 13.575 -8.187 5.084 1.00 0.00 O ATOM 1685 CB LYS A 108 12.100 -10.490 5.417 1.00 0.00 C ATOM 1686 CG LYS A 108 11.056 -11.577 5.606 1.00 0.00 C ATOM 1687 CD LYS A 108 11.652 -12.816 6.254 1.00 0.00 C ATOM 1688 CE LYS A 108 10.731 -14.018 6.109 1.00 0.00 C ATOM 1689 NZ LYS A 108 11.003 -15.052 7.146 1.00 0.00 N ATOM 0 H LYS A 108 10.799 -10.678 2.748 1.00 0.00 H new ATOM 0 HA LYS A 108 10.880 -9.077 4.349 1.00 0.00 H new ATOM 0 HB2 LYS A 108 13.080 -10.954 5.303 1.00 0.00 H new ATOM 0 HB3 LYS A 108 12.141 -9.876 6.317 1.00 0.00 H new ATOM 0 HG2 LYS A 108 10.242 -11.198 6.224 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.626 -11.842 4.640 1.00 0.00 H new ATOM 0 HD2 LYS A 108 12.617 -13.038 5.798 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.836 -12.623 7.311 1.00 0.00 H new ATOM 0 HE2 LYS A 108 9.694 -13.692 6.184 1.00 0.00 H new ATOM 0 HE3 LYS A 108 10.857 -14.455 5.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 10.355 -15.855 7.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 11.986 -15.382 7.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 10.858 -14.642 8.091 1.00 0.00 H new ATOM 1703 N GLU A 109 13.146 -8.041 2.879 1.00 0.00 N ATOM 1704 CA GLU A 109 14.169 -7.030 2.636 1.00 0.00 C ATOM 1705 C GLU A 109 14.083 -5.909 3.668 1.00 0.00 C ATOM 1706 O GLU A 109 15.064 -5.213 3.927 1.00 0.00 O ATOM 1707 CB GLU A 109 14.022 -6.453 1.227 1.00 0.00 C ATOM 1708 CG GLU A 109 14.130 -7.496 0.127 1.00 0.00 C ATOM 1709 CD GLU A 109 15.550 -7.670 -0.375 1.00 0.00 C ATOM 1710 OE1 GLU A 109 16.135 -6.675 -0.853 1.00 0.00 O ATOM 1711 OE2 GLU A 109 16.076 -8.799 -0.291 1.00 0.00 O ATOM 0 H GLU A 109 12.624 -8.322 2.049 1.00 0.00 H new ATOM 0 HA GLU A 109 15.144 -7.508 2.725 1.00 0.00 H new ATOM 0 HB2 GLU A 109 13.057 -5.952 1.148 1.00 0.00 H new ATOM 0 HB3 GLU A 109 14.789 -5.694 1.073 1.00 0.00 H new ATOM 0 HG2 GLU A 109 13.761 -8.451 0.500 1.00 0.00 H new ATOM 0 HG3 GLU A 109 13.487 -7.209 -0.705 1.00 0.00 H new ATOM 1718 N TRP A 110 12.902 -5.742 4.253 1.00 0.00 N ATOM 1719 CA TRP A 110 12.687 -4.705 5.256 1.00 0.00 C ATOM 1720 C TRP A 110 13.765 -4.758 6.334 1.00 0.00 C ATOM 1721 O TRP A 110 14.115 -3.738 6.928 1.00 0.00 O ATOM 1722 CB TRP A 110 11.305 -4.861 5.892 1.00 0.00 C ATOM 1723 CG TRP A 110 11.036 -6.246 6.397 1.00 0.00 C ATOM 1724 CD1 TRP A 110 10.388 -7.249 5.734 1.00 0.00 C ATOM 1725 CD2 TRP A 110 11.407 -6.781 7.673 1.00 0.00 C ATOM 1726 NE1 TRP A 110 10.334 -8.374 6.521 1.00 0.00 N ATOM 1727 CE2 TRP A 110 10.953 -8.113 7.714 1.00 0.00 C ATOM 1728 CE3 TRP A 110 12.081 -6.264 8.783 1.00 0.00 C ATOM 1729 CZ2 TRP A 110 11.150 -8.932 8.823 1.00 0.00 C ATOM 1730 CZ3 TRP A 110 12.276 -7.078 9.882 1.00 0.00 C ATOM 1731 CH2 TRP A 110 11.812 -8.401 9.896 1.00 0.00 C ATOM 0 H TRP A 110 12.080 -6.311 4.050 1.00 0.00 H new ATOM 0 HA TRP A 110 12.744 -3.737 4.759 1.00 0.00 H new ATOM 0 HB2 TRP A 110 11.212 -4.156 6.718 1.00 0.00 H new ATOM 0 HB3 TRP A 110 10.544 -4.595 5.159 1.00 0.00 H new ATOM 0 HD1 TRP A 110 9.978 -7.170 4.738 1.00 0.00 H new ATOM 0 HE1 TRP A 110 9.903 -9.260 6.259 1.00 0.00 H new ATOM 0 HE3 TRP A 110 12.443 -5.246 8.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 10.793 -9.951 8.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 12.795 -6.689 10.745 1.00 0.00 H new ATOM 0 HH2 TRP A 110 11.980 -9.012 10.770 1.00 0.00 H new ATOM 1742 N LYS A 111 14.289 -5.954 6.582 1.00 0.00 N ATOM 1743 CA LYS A 111 15.329 -6.140 7.587 1.00 0.00 C ATOM 1744 C LYS A 111 16.534 -5.252 7.294 1.00 0.00 C ATOM 1745 O LYS A 111 17.169 -4.731 8.211 1.00 0.00 O ATOM 1746 CB LYS A 111 15.763 -7.607 7.635 1.00 0.00 C ATOM 1747 CG LYS A 111 14.819 -8.495 8.426 1.00 0.00 C ATOM 1748 CD LYS A 111 15.487 -9.798 8.831 1.00 0.00 C ATOM 1749 CE LYS A 111 14.478 -10.930 8.946 1.00 0.00 C ATOM 1750 NZ LYS A 111 14.293 -11.642 7.651 1.00 0.00 N ATOM 0 H LYS A 111 14.010 -6.809 6.101 1.00 0.00 H new ATOM 0 HA LYS A 111 14.918 -5.856 8.556 1.00 0.00 H new ATOM 0 HB2 LYS A 111 15.839 -7.988 6.617 1.00 0.00 H new ATOM 0 HB3 LYS A 111 16.759 -7.668 8.074 1.00 0.00 H new ATOM 0 HG2 LYS A 111 14.481 -7.966 9.317 1.00 0.00 H new ATOM 0 HG3 LYS A 111 13.933 -8.710 7.828 1.00 0.00 H new ATOM 0 HD2 LYS A 111 16.248 -10.061 8.097 1.00 0.00 H new ATOM 0 HD3 LYS A 111 15.997 -9.665 9.785 1.00 0.00 H new ATOM 0 HE2 LYS A 111 14.811 -11.638 9.705 1.00 0.00 H new ATOM 0 HE3 LYS A 111 13.521 -10.531 9.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 14.181 -12.661 7.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 13.444 -11.278 7.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 15.125 -11.485 7.047 1.00 0.00 H new ATOM 1764 N SER A 112 16.842 -5.083 6.012 1.00 0.00 N ATOM 1765 CA SER A 112 17.972 -4.259 5.600 1.00 0.00 C ATOM 1766 C SER A 112 17.557 -2.797 5.463 1.00 0.00 C ATOM 1767 O SER A 112 18.158 -2.039 4.701 1.00 0.00 O ATOM 1768 CB SER A 112 18.542 -4.765 4.274 1.00 0.00 C ATOM 1769 OG SER A 112 19.300 -5.948 4.463 1.00 0.00 O ATOM 0 H SER A 112 16.325 -5.506 5.241 1.00 0.00 H new ATOM 0 HA SER A 112 18.741 -4.330 6.369 1.00 0.00 H new ATOM 0 HB2 SER A 112 17.728 -4.958 3.575 1.00 0.00 H new ATOM 0 HB3 SER A 112 19.170 -3.994 3.827 1.00 0.00 H new ATOM 0 HG SER A 112 19.652 -6.252 3.600 1.00 0.00 H new ATOM 1775 N ILE A 113 16.526 -2.409 6.206 1.00 0.00 N ATOM 1776 CA ILE A 113 16.032 -1.039 6.169 1.00 0.00 C ATOM 1777 C ILE A 113 15.926 -0.454 7.574 1.00 0.00 C ATOM 1778 O ILE A 113 15.391 -1.089 8.482 1.00 0.00 O ATOM 1779 CB ILE A 113 14.654 -0.956 5.487 1.00 0.00 C ATOM 1780 CG1 ILE A 113 14.774 -1.308 4.002 1.00 0.00 C ATOM 1781 CG2 ILE A 113 14.059 0.434 5.661 1.00 0.00 C ATOM 1782 CD1 ILE A 113 13.441 -1.403 3.294 1.00 0.00 C ATOM 0 H ILE A 113 16.017 -3.024 6.841 1.00 0.00 H new ATOM 0 HA ILE A 113 16.751 -0.460 5.590 1.00 0.00 H new ATOM 0 HB ILE A 113 13.987 -1.677 5.960 1.00 0.00 H new ATOM 0 HG12 ILE A 113 15.386 -0.555 3.507 1.00 0.00 H new ATOM 0 HG13 ILE A 113 15.297 -2.259 3.903 1.00 0.00 H new ATOM 0 HG21 ILE A 113 13.085 0.477 5.173 1.00 0.00 H new ATOM 0 HG22 ILE A 113 13.943 0.650 6.723 1.00 0.00 H new ATOM 0 HG23 ILE A 113 14.722 1.173 5.211 1.00 0.00 H new ATOM 0 HD11 ILE A 113 13.603 -1.655 2.246 1.00 0.00 H new ATOM 0 HD12 ILE A 113 12.834 -2.177 3.764 1.00 0.00 H new ATOM 0 HD13 ILE A 113 12.924 -0.446 3.361 1.00 0.00 H new ATOM 1794 N GLU A 114 16.440 0.760 7.744 1.00 0.00 N ATOM 1795 CA GLU A 114 16.403 1.431 9.038 1.00 0.00 C ATOM 1796 C GLU A 114 14.987 1.896 9.369 1.00 0.00 C ATOM 1797 O GLU A 114 14.400 2.723 8.672 1.00 0.00 O ATOM 1798 CB GLU A 114 17.359 2.625 9.046 1.00 0.00 C ATOM 1799 CG GLU A 114 18.785 2.261 9.422 1.00 0.00 C ATOM 1800 CD GLU A 114 19.681 3.476 9.559 1.00 0.00 C ATOM 1801 OE1 GLU A 114 19.364 4.519 8.949 1.00 0.00 O ATOM 1802 OE2 GLU A 114 20.699 3.386 10.277 1.00 0.00 O ATOM 0 H GLU A 114 16.887 1.299 7.002 1.00 0.00 H new ATOM 0 HA GLU A 114 16.720 0.717 9.798 1.00 0.00 H new ATOM 0 HB2 GLU A 114 17.359 3.086 8.058 1.00 0.00 H new ATOM 0 HB3 GLU A 114 16.987 3.373 9.747 1.00 0.00 H new ATOM 0 HG2 GLU A 114 18.779 1.711 10.363 1.00 0.00 H new ATOM 0 HG3 GLU A 114 19.197 1.594 8.665 1.00 0.00 H new ATOM 1809 N PRO A 115 14.426 1.351 10.459 1.00 0.00 N ATOM 1810 CA PRO A 115 13.073 1.694 10.908 1.00 0.00 C ATOM 1811 C PRO A 115 12.987 3.115 11.454 1.00 0.00 C ATOM 1812 O PRO A 115 13.926 3.900 11.321 1.00 0.00 O ATOM 1813 CB PRO A 115 12.800 0.677 12.018 1.00 0.00 C ATOM 1814 CG PRO A 115 14.148 0.296 12.524 1.00 0.00 C ATOM 1815 CD PRO A 115 15.068 0.358 11.336 1.00 0.00 C ATOM 0 HA PRO A 115 12.351 1.659 10.092 1.00 0.00 H new ATOM 0 HB2 PRO A 115 12.188 1.110 12.809 1.00 0.00 H new ATOM 0 HB3 PRO A 115 12.261 -0.190 11.636 1.00 0.00 H new ATOM 0 HG2 PRO A 115 14.477 0.977 13.309 1.00 0.00 H new ATOM 0 HG3 PRO A 115 14.135 -0.705 12.956 1.00 0.00 H new ATOM 0 HD2 PRO A 115 16.074 0.665 11.622 1.00 0.00 H new ATOM 0 HD3 PRO A 115 15.158 -0.612 10.847 1.00 0.00 H new ATOM 1823 N VAL A 116 11.854 3.440 12.069 1.00 0.00 N ATOM 1824 CA VAL A 116 11.646 4.766 12.637 1.00 0.00 C ATOM 1825 C VAL A 116 11.258 4.680 14.109 1.00 0.00 C ATOM 1826 O VAL A 116 10.487 3.807 14.508 1.00 0.00 O ATOM 1827 CB VAL A 116 10.553 5.538 11.874 1.00 0.00 C ATOM 1828 CG1 VAL A 116 10.953 5.732 10.420 1.00 0.00 C ATOM 1829 CG2 VAL A 116 9.220 4.814 11.977 1.00 0.00 C ATOM 0 H VAL A 116 11.066 2.803 12.186 1.00 0.00 H new ATOM 0 HA VAL A 116 12.591 5.301 12.545 1.00 0.00 H new ATOM 0 HB VAL A 116 10.442 6.522 12.329 1.00 0.00 H new ATOM 0 HG11 VAL A 116 10.169 6.279 9.897 1.00 0.00 H new ATOM 0 HG12 VAL A 116 11.884 6.297 10.371 1.00 0.00 H new ATOM 0 HG13 VAL A 116 11.093 4.759 9.948 1.00 0.00 H new ATOM 0 HG21 VAL A 116 8.459 5.373 11.432 1.00 0.00 H new ATOM 0 HG22 VAL A 116 9.314 3.816 11.548 1.00 0.00 H new ATOM 0 HG23 VAL A 116 8.930 4.733 13.025 1.00 0.00 H new ATOM 1839 N SER A 117 11.798 5.591 14.912 1.00 0.00 N ATOM 1840 CA SER A 117 11.511 5.616 16.342 1.00 0.00 C ATOM 1841 C SER A 117 10.936 6.967 16.757 1.00 0.00 C ATOM 1842 O SER A 117 11.440 7.612 17.676 1.00 0.00 O ATOM 1843 CB SER A 117 12.780 5.320 17.144 1.00 0.00 C ATOM 1844 OG SER A 117 13.713 6.381 17.031 1.00 0.00 O ATOM 0 H SER A 117 12.437 6.321 14.597 1.00 0.00 H new ATOM 0 HA SER A 117 10.769 4.845 16.552 1.00 0.00 H new ATOM 0 HB2 SER A 117 12.524 5.167 18.192 1.00 0.00 H new ATOM 0 HB3 SER A 117 13.232 4.394 16.787 1.00 0.00 H new ATOM 0 HG SER A 117 13.353 7.181 17.468 1.00 0.00 H new ATOM 1850 N SER A 118 9.878 7.388 16.073 1.00 0.00 N ATOM 1851 CA SER A 118 9.236 8.664 16.367 1.00 0.00 C ATOM 1852 C SER A 118 7.734 8.483 16.567 1.00 0.00 C ATOM 1853 O SER A 118 6.935 9.319 16.146 1.00 0.00 O ATOM 1854 CB SER A 118 9.494 9.662 15.236 1.00 0.00 C ATOM 1855 OG SER A 118 8.938 9.204 14.016 1.00 0.00 O ATOM 0 H SER A 118 9.447 6.864 15.311 1.00 0.00 H new ATOM 0 HA SER A 118 9.664 9.053 17.291 1.00 0.00 H new ATOM 0 HB2 SER A 118 9.064 10.629 15.495 1.00 0.00 H new ATOM 0 HB3 SER A 118 10.567 9.812 15.117 1.00 0.00 H new ATOM 0 HG SER A 118 9.115 9.860 13.309 1.00 0.00 H new ATOM 1861 N TRP A 119 7.358 7.384 17.212 1.00 0.00 N ATOM 1862 CA TRP A 119 5.952 7.092 17.469 1.00 0.00 C ATOM 1863 C TRP A 119 5.696 6.920 18.962 1.00 0.00 C ATOM 1864 O TRP A 119 6.124 5.936 19.566 1.00 0.00 O ATOM 1865 CB TRP A 119 5.527 5.830 16.717 1.00 0.00 C ATOM 1866 CG TRP A 119 4.056 5.555 16.803 1.00 0.00 C ATOM 1867 CD1 TRP A 119 3.396 4.942 17.829 1.00 0.00 C ATOM 1868 CD2 TRP A 119 3.064 5.882 15.823 1.00 0.00 C ATOM 1869 NE1 TRP A 119 2.053 4.867 17.546 1.00 0.00 N ATOM 1870 CE2 TRP A 119 1.824 5.438 16.322 1.00 0.00 C ATOM 1871 CE3 TRP A 119 3.103 6.507 14.574 1.00 0.00 C ATOM 1872 CZ2 TRP A 119 0.636 5.600 15.614 1.00 0.00 C ATOM 1873 CZ3 TRP A 119 1.923 6.667 13.873 1.00 0.00 C ATOM 1874 CH2 TRP A 119 0.703 6.216 14.394 1.00 0.00 C ATOM 0 H TRP A 119 8.007 6.681 17.566 1.00 0.00 H new ATOM 0 HA TRP A 119 5.360 7.935 17.113 1.00 0.00 H new ATOM 0 HB2 TRP A 119 5.811 5.927 15.669 1.00 0.00 H new ATOM 0 HB3 TRP A 119 6.073 4.976 17.117 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.861 4.571 18.730 1.00 0.00 H new ATOM 0 HE1 TRP A 119 1.342 4.453 18.149 1.00 0.00 H new ATOM 0 HE3 TRP A 119 4.038 6.859 14.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 -0.305 5.252 16.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 1.941 7.148 12.906 1.00 0.00 H new ATOM 0 HH2 TRP A 119 -0.202 6.357 13.822 1.00 0.00 H new ATOM 1885 N PHE A 120 4.995 7.882 19.553 1.00 0.00 N ATOM 1886 CA PHE A 120 4.682 7.836 20.976 1.00 0.00 C ATOM 1887 C PHE A 120 3.201 8.113 21.217 1.00 0.00 C ATOM 1888 O PHE A 120 2.833 8.797 22.172 1.00 0.00 O ATOM 1889 CB PHE A 120 5.533 8.853 21.740 1.00 0.00 C ATOM 1890 CG PHE A 120 5.726 10.147 21.003 1.00 0.00 C ATOM 1891 CD1 PHE A 120 4.651 10.982 20.749 1.00 0.00 C ATOM 1892 CD2 PHE A 120 6.984 10.528 20.563 1.00 0.00 C ATOM 1893 CE1 PHE A 120 4.825 12.174 20.071 1.00 0.00 C ATOM 1894 CE2 PHE A 120 7.165 11.719 19.885 1.00 0.00 C ATOM 1895 CZ PHE A 120 6.084 12.542 19.638 1.00 0.00 C ATOM 0 H PHE A 120 4.633 8.703 19.068 1.00 0.00 H new ATOM 0 HA PHE A 120 4.910 6.834 21.340 1.00 0.00 H new ATOM 0 HB2 PHE A 120 5.063 9.059 22.702 1.00 0.00 H new ATOM 0 HB3 PHE A 120 6.509 8.414 21.949 1.00 0.00 H new ATOM 0 HD1 PHE A 120 3.664 10.698 21.085 1.00 0.00 H new ATOM 0 HD2 PHE A 120 7.832 9.887 20.752 1.00 0.00 H new ATOM 0 HE1 PHE A 120 3.978 12.816 19.880 1.00 0.00 H new ATOM 0 HE2 PHE A 120 8.151 12.005 19.549 1.00 0.00 H new ATOM 0 HZ PHE A 120 6.223 13.472 19.107 1.00 0.00 H new ATOM 1905 N SER A 121 2.355 7.577 20.343 1.00 0.00 N ATOM 1906 CA SER A 121 0.914 7.769 20.457 1.00 0.00 C ATOM 1907 C SER A 121 0.305 6.756 21.421 1.00 0.00 C ATOM 1908 O SER A 121 0.520 5.552 21.291 1.00 0.00 O ATOM 1909 CB SER A 121 0.251 7.645 19.084 1.00 0.00 C ATOM 1910 OG SER A 121 -1.160 7.710 19.190 1.00 0.00 O ATOM 0 H SER A 121 2.643 7.006 19.548 1.00 0.00 H new ATOM 0 HA SER A 121 0.736 8.770 20.849 1.00 0.00 H new ATOM 0 HB2 SER A 121 0.607 8.443 18.432 1.00 0.00 H new ATOM 0 HB3 SER A 121 0.541 6.702 18.621 1.00 0.00 H new ATOM 0 HG SER A 121 -1.533 6.805 19.145 1.00 0.00 H new ATOM 1916 N GLY A 122 -0.456 7.254 22.391 1.00 0.00 N ATOM 1917 CA GLY A 122 -1.085 6.380 23.364 1.00 0.00 C ATOM 1918 C GLY A 122 -0.884 6.858 24.788 1.00 0.00 C ATOM 1919 O GLY A 122 -1.607 7.723 25.283 1.00 0.00 O ATOM 0 H GLY A 122 -0.648 8.247 22.520 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -2.152 6.315 23.153 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.678 5.374 23.261 1.00 0.00 H new ATOM 1923 N PRO A 123 0.119 6.287 25.472 1.00 0.00 N ATOM 1924 CA PRO A 123 0.436 6.644 26.858 1.00 0.00 C ATOM 1925 C PRO A 123 1.023 8.046 26.976 1.00 0.00 C ATOM 1926 O PRO A 123 2.242 8.217 27.022 1.00 0.00 O ATOM 1927 CB PRO A 123 1.472 5.594 27.266 1.00 0.00 C ATOM 1928 CG PRO A 123 2.102 5.166 25.986 1.00 0.00 C ATOM 1929 CD PRO A 123 1.021 5.250 24.944 1.00 0.00 C ATOM 0 HA PRO A 123 -0.452 6.654 27.490 1.00 0.00 H new ATOM 0 HB2 PRO A 123 2.210 6.012 27.950 1.00 0.00 H new ATOM 0 HB3 PRO A 123 1.003 4.753 27.777 1.00 0.00 H new ATOM 0 HG2 PRO A 123 2.942 5.811 25.730 1.00 0.00 H new ATOM 0 HG3 PRO A 123 2.492 4.151 26.063 1.00 0.00 H new ATOM 0 HD2 PRO A 123 1.423 5.525 23.969 1.00 0.00 H new ATOM 0 HD3 PRO A 123 0.508 4.296 24.819 1.00 0.00 H new ATOM 1937 N SER A 124 0.150 9.047 27.024 1.00 0.00 N ATOM 1938 CA SER A 124 0.583 10.435 27.133 1.00 0.00 C ATOM 1939 C SER A 124 0.857 10.806 28.587 1.00 0.00 C ATOM 1940 O SER A 124 0.095 10.447 29.485 1.00 0.00 O ATOM 1941 CB SER A 124 -0.478 11.370 26.548 1.00 0.00 C ATOM 1942 OG SER A 124 0.104 12.576 26.086 1.00 0.00 O ATOM 0 H SER A 124 -0.862 8.923 26.989 1.00 0.00 H new ATOM 0 HA SER A 124 1.508 10.547 26.567 1.00 0.00 H new ATOM 0 HB2 SER A 124 -0.992 10.872 25.726 1.00 0.00 H new ATOM 0 HB3 SER A 124 -1.229 11.592 27.306 1.00 0.00 H new ATOM 0 HG SER A 124 -0.594 13.155 25.715 1.00 0.00 H new ATOM 1948 N SER A 125 1.951 11.526 28.811 1.00 0.00 N ATOM 1949 CA SER A 125 2.330 11.943 30.156 1.00 0.00 C ATOM 1950 C SER A 125 1.849 13.363 30.441 1.00 0.00 C ATOM 1951 O SER A 125 2.572 14.170 31.022 1.00 0.00 O ATOM 1952 CB SER A 125 3.848 11.862 30.330 1.00 0.00 C ATOM 1953 OG SER A 125 4.515 12.630 29.343 1.00 0.00 O ATOM 0 H SER A 125 2.591 11.833 28.078 1.00 0.00 H new ATOM 0 HA SER A 125 1.854 11.267 30.866 1.00 0.00 H new ATOM 0 HB2 SER A 125 4.123 12.220 31.322 1.00 0.00 H new ATOM 0 HB3 SER A 125 4.170 10.823 30.266 1.00 0.00 H new ATOM 0 HG SER A 125 5.484 12.564 29.476 1.00 0.00 H new ATOM 1959 N GLY A 126 0.621 13.659 30.025 1.00 0.00 N ATOM 1960 CA GLY A 126 0.064 14.981 30.243 1.00 0.00 C ATOM 1961 C GLY A 126 -1.292 15.154 29.587 1.00 0.00 C ATOM 1962 O GLY A 126 -1.387 15.647 28.464 1.00 0.00 O ATOM 0 H GLY A 126 0.003 13.007 29.541 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -0.028 15.161 31.314 1.00 0.00 H new ATOM 0 HA3 GLY A 126 0.752 15.731 29.852 1.00 0.00 H new TER 1966 GLY A 126