USER MOD reduce.3.24.130724 H: found=0, std=0, add=584, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 584 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 44 HIS : no HE2:sc= -0.234 K(o=-0.038,f=-2.7!) USER MOD Set 1.2: A 67 SER OG : rot 149:sc= 0.197 USER MOD Set 2.1: A 6 SER OG : rot 83:sc= 0.934 USER MOD Set 2.2: A 8 ASN : amide:sc= -1.84! C(o=-0.9!,f=-5.6!) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0774 (180deg=0) USER MOD Single : A 4 SER OG : rot -170:sc= 0.0372 USER MOD Single : A 5 MET CE :methyl -140:sc= -0.864 (180deg=-4.27!) USER MOD Single : A 14 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.048) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.44 K(o=0.44,f=-2.6!) USER MOD Single : A 26 GLN : amide:sc= -0.0023 K(o=-0.0023,f=-0.82) USER MOD Single : A 27 HIS : no HE2:sc= 0.053 K(o=0.053,f=-2.4!) USER MOD Single : A 28 SER OG : rot 180:sc= 0.348 USER MOD Single : A 52 CYS SG : rot 14:sc= -4.83! USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.455 X(o=-0.46,f=-0.46) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 40:sc= 0.129 USER MOD Single : A 80 GLN :FLIP amide:sc= -0.577 F(o=-1.2,f=-0.58) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.093 -10.345 1.470 1.00 64.54 N ATOM 2 CA GLY A 1 3.132 -10.964 0.526 1.00 63.31 C ATOM 3 C GLY A 1 3.822 -11.794 -0.539 1.00 45.41 C ATOM 4 O GLY A 1 5.033 -12.015 -0.465 1.00 52.30 O ATOM 0 H1 GLY A 1 3.853 -10.625 2.443 1.00 64.54 H new ATOM 0 H2 GLY A 1 5.056 -10.666 1.245 1.00 64.54 H new ATOM 0 H3 GLY A 1 4.044 -9.310 1.386 1.00 64.54 H new ATOM 0 HA2 GLY A 1 2.437 -11.594 1.081 1.00 63.31 H new ATOM 0 HA3 GLY A 1 2.542 -10.182 0.048 1.00 63.31 H new ATOM 10 N PRO A 2 3.072 -12.271 -1.550 1.00 71.21 N ATOM 11 CA PRO A 2 3.629 -13.084 -2.640 1.00 1.44 C ATOM 12 C PRO A 2 4.603 -12.287 -3.509 1.00 72.44 C ATOM 13 O PRO A 2 4.270 -11.204 -3.996 1.00 54.42 O ATOM 14 CB PRO A 2 2.389 -13.506 -3.456 1.00 51.43 C ATOM 15 CG PRO A 2 1.216 -13.225 -2.573 1.00 23.45 C ATOM 16 CD PRO A 2 1.623 -12.064 -1.710 1.00 11.23 C ATOM 0 HA PRO A 2 4.205 -13.930 -2.265 1.00 1.44 H new ATOM 0 HB2 PRO A 2 2.322 -12.944 -4.388 1.00 51.43 H new ATOM 0 HB3 PRO A 2 2.435 -14.562 -3.723 1.00 51.43 H new ATOM 0 HG2 PRO A 2 0.332 -12.983 -3.163 1.00 23.45 H new ATOM 0 HG3 PRO A 2 0.966 -14.095 -1.966 1.00 23.45 H new ATOM 0 HD2 PRO A 2 1.401 -11.109 -2.185 1.00 11.23 H new ATOM 0 HD3 PRO A 2 1.105 -12.071 -0.751 1.00 11.23 H new ATOM 24 N GLY A 3 5.806 -12.826 -3.696 1.00 40.44 N ATOM 25 CA GLY A 3 6.810 -12.173 -4.521 1.00 52.53 C ATOM 26 C GLY A 3 6.778 -12.675 -5.954 1.00 44.43 C ATOM 27 O GLY A 3 7.814 -13.014 -6.535 1.00 41.21 O ATOM 0 H GLY A 3 6.105 -13.711 -3.287 1.00 40.44 H new ATOM 0 HA2 GLY A 3 6.645 -11.096 -4.510 1.00 52.53 H new ATOM 0 HA3 GLY A 3 7.799 -12.348 -4.097 1.00 52.53 H new ATOM 31 N SER A 4 5.583 -12.733 -6.522 1.00 41.10 N ATOM 32 CA SER A 4 5.394 -13.222 -7.880 1.00 64.44 C ATOM 33 C SER A 4 5.513 -12.081 -8.890 1.00 54.20 C ATOM 34 O SER A 4 5.651 -10.915 -8.504 1.00 10.33 O ATOM 35 CB SER A 4 4.024 -13.898 -7.982 1.00 64.41 C ATOM 36 OG SER A 4 3.016 -13.100 -7.383 1.00 10.53 O ATOM 0 H SER A 4 4.722 -12.444 -6.058 1.00 41.10 H new ATOM 0 HA SER A 4 6.173 -13.948 -8.113 1.00 64.44 H new ATOM 0 HB2 SER A 4 3.779 -14.074 -9.029 1.00 64.41 H new ATOM 0 HB3 SER A 4 4.058 -14.872 -7.495 1.00 64.41 H new ATOM 0 HG SER A 4 2.185 -13.616 -7.319 1.00 10.53 H new ATOM 42 N MET A 5 5.471 -12.430 -10.178 1.00 31.34 N ATOM 43 CA MET A 5 5.496 -11.448 -11.259 1.00 4.33 C ATOM 44 C MET A 5 4.443 -10.370 -11.021 1.00 34.52 C ATOM 45 O MET A 5 4.765 -9.202 -10.784 1.00 40.22 O ATOM 46 CB MET A 5 5.237 -12.143 -12.600 1.00 72.43 C ATOM 47 CG MET A 5 5.252 -11.198 -13.795 1.00 13.45 C ATOM 48 SD MET A 5 5.736 -12.035 -15.312 1.00 24.43 S ATOM 49 CE MET A 5 7.286 -12.753 -14.774 1.00 72.00 C ATOM 0 H MET A 5 5.419 -13.397 -10.498 1.00 31.34 H new ATOM 0 HA MET A 5 6.479 -10.978 -11.283 1.00 4.33 H new ATOM 0 HB2 MET A 5 5.991 -12.915 -12.750 1.00 72.43 H new ATOM 0 HB3 MET A 5 4.270 -12.645 -12.558 1.00 72.43 H new ATOM 0 HG2 MET A 5 4.262 -10.760 -13.923 1.00 13.45 H new ATOM 0 HG3 MET A 5 5.941 -10.377 -13.599 1.00 13.45 H new ATOM 0 HE1 MET A 5 8.021 -12.674 -15.575 1.00 72.00 H new ATOM 0 HE2 MET A 5 7.648 -12.220 -13.895 1.00 72.00 H new ATOM 0 HE3 MET A 5 7.133 -13.803 -14.524 1.00 72.00 H new ATOM 59 N SER A 6 3.187 -10.786 -11.047 1.00 74.20 N ATOM 60 CA SER A 6 2.067 -9.880 -10.874 1.00 0.11 C ATOM 61 C SER A 6 0.878 -10.625 -10.269 1.00 25.10 C ATOM 62 O SER A 6 0.625 -11.783 -10.609 1.00 15.20 O ATOM 63 CB SER A 6 1.694 -9.263 -12.231 1.00 43.50 C ATOM 64 OG SER A 6 1.597 -10.263 -13.234 1.00 53.04 O ATOM 0 H SER A 6 2.917 -11.759 -11.188 1.00 74.20 H new ATOM 0 HA SER A 6 2.348 -9.079 -10.190 1.00 0.11 H new ATOM 0 HB2 SER A 6 0.744 -8.735 -12.146 1.00 43.50 H new ATOM 0 HB3 SER A 6 2.444 -8.526 -12.518 1.00 43.50 H new ATOM 0 HG SER A 6 0.714 -10.686 -13.190 1.00 53.04 H new ATOM 70 N ILE A 7 0.179 -9.970 -9.346 1.00 31.23 N ATOM 71 CA ILE A 7 -1.028 -10.533 -8.750 1.00 15.14 C ATOM 72 C ILE A 7 -2.232 -10.184 -9.625 1.00 55.21 C ATOM 73 O ILE A 7 -2.879 -9.149 -9.434 1.00 65.33 O ATOM 74 CB ILE A 7 -1.253 -10.005 -7.304 1.00 4.15 C ATOM 75 CG1 ILE A 7 -0.015 -10.276 -6.427 1.00 23.20 C ATOM 76 CG2 ILE A 7 -2.501 -10.634 -6.681 1.00 34.01 C ATOM 77 CD1 ILE A 7 0.318 -11.745 -6.259 1.00 34.15 C ATOM 0 H ILE A 7 0.429 -9.046 -8.994 1.00 31.23 H new ATOM 0 HA ILE A 7 -0.909 -11.615 -8.692 1.00 15.14 H new ATOM 0 HB ILE A 7 -1.407 -8.927 -7.358 1.00 4.15 H new ATOM 0 HG12 ILE A 7 0.844 -9.768 -6.864 1.00 23.20 H new ATOM 0 HG13 ILE A 7 -0.178 -9.837 -5.443 1.00 23.20 H new ATOM 0 HG21 ILE A 7 -2.637 -10.249 -5.670 1.00 34.01 H new ATOM 0 HG22 ILE A 7 -3.374 -10.385 -7.284 1.00 34.01 H new ATOM 0 HG23 ILE A 7 -2.383 -11.717 -6.644 1.00 34.01 H new ATOM 0 HD11 ILE A 7 1.201 -11.848 -5.629 1.00 34.15 H new ATOM 0 HD12 ILE A 7 -0.523 -12.258 -5.792 1.00 34.15 H new ATOM 0 HD13 ILE A 7 0.515 -12.187 -7.235 1.00 34.15 H new ATOM 89 N ASN A 8 -2.502 -11.030 -10.612 1.00 54.12 N ATOM 90 CA ASN A 8 -3.560 -10.772 -11.585 1.00 25.44 C ATOM 91 C ASN A 8 -4.106 -12.085 -12.153 1.00 50.11 C ATOM 92 O ASN A 8 -3.348 -13.028 -12.376 1.00 64.43 O ATOM 93 CB ASN A 8 -3.028 -9.894 -12.729 1.00 20.10 C ATOM 94 CG ASN A 8 -1.855 -10.528 -13.472 1.00 43.15 C ATOM 95 OD1 ASN A 8 -1.042 -11.247 -12.889 1.00 32.04 O ATOM 96 ND2 ASN A 8 -1.757 -10.266 -14.763 1.00 53.11 N ATOM 0 H ASN A 8 -2.001 -11.906 -10.761 1.00 54.12 H new ATOM 0 HA ASN A 8 -4.369 -10.248 -11.076 1.00 25.44 H new ATOM 0 HB2 ASN A 8 -3.835 -9.699 -13.435 1.00 20.10 H new ATOM 0 HB3 ASN A 8 -2.717 -8.930 -12.326 1.00 20.10 H new ATOM 0 HD21 ASN A 8 -0.991 -10.663 -15.307 1.00 53.11 H new ATOM 0 HD22 ASN A 8 -2.447 -9.667 -15.216 1.00 53.11 H new ATOM 103 N PRO A 9 -5.433 -12.164 -12.381 1.00 24.42 N ATOM 104 CA PRO A 9 -6.053 -13.318 -13.044 1.00 34.30 C ATOM 105 C PRO A 9 -5.689 -13.364 -14.528 1.00 64.14 C ATOM 106 O PRO A 9 -5.415 -14.429 -15.084 1.00 71.44 O ATOM 107 CB PRO A 9 -7.556 -13.077 -12.846 1.00 41.24 C ATOM 108 CG PRO A 9 -7.686 -11.597 -12.695 1.00 53.41 C ATOM 109 CD PRO A 9 -6.434 -11.144 -11.994 1.00 62.43 C ATOM 0 HA PRO A 9 -5.720 -14.272 -12.636 1.00 34.30 H new ATOM 0 HB2 PRO A 9 -8.131 -13.440 -13.698 1.00 41.24 H new ATOM 0 HB3 PRO A 9 -7.928 -13.599 -11.965 1.00 41.24 H new ATOM 0 HG2 PRO A 9 -7.787 -11.112 -13.666 1.00 53.41 H new ATOM 0 HG3 PRO A 9 -8.573 -11.340 -12.116 1.00 53.41 H new ATOM 0 HD2 PRO A 9 -6.134 -10.146 -12.313 1.00 62.43 H new ATOM 0 HD3 PRO A 9 -6.571 -11.105 -10.913 1.00 62.43 H new ATOM 117 N PHE A 10 -5.676 -12.192 -15.157 1.00 40.41 N ATOM 118 CA PHE A 10 -5.295 -12.053 -16.561 1.00 31.52 C ATOM 119 C PHE A 10 -4.272 -10.933 -16.683 1.00 72.32 C ATOM 120 O PHE A 10 -4.286 -9.990 -15.883 1.00 51.11 O ATOM 121 CB PHE A 10 -6.523 -11.745 -17.435 1.00 3.43 C ATOM 122 CG PHE A 10 -7.628 -12.769 -17.322 1.00 33.53 C ATOM 123 CD1 PHE A 10 -7.534 -13.992 -17.973 1.00 51.51 C ATOM 124 CD2 PHE A 10 -8.760 -12.507 -16.560 1.00 15.31 C ATOM 125 CE1 PHE A 10 -8.546 -14.929 -17.869 1.00 54.40 C ATOM 126 CE2 PHE A 10 -9.774 -13.442 -16.454 1.00 50.24 C ATOM 127 CZ PHE A 10 -9.666 -14.654 -17.108 1.00 35.42 C ATOM 0 H PHE A 10 -5.929 -11.312 -14.709 1.00 40.41 H new ATOM 0 HA PHE A 10 -4.864 -12.991 -16.910 1.00 31.52 H new ATOM 0 HB2 PHE A 10 -6.918 -10.767 -17.158 1.00 3.43 H new ATOM 0 HB3 PHE A 10 -6.208 -11.678 -18.476 1.00 3.43 H new ATOM 0 HD1 PHE A 10 -6.660 -14.214 -18.568 1.00 51.51 H new ATOM 0 HD2 PHE A 10 -8.849 -11.562 -16.044 1.00 15.31 H new ATOM 0 HE1 PHE A 10 -8.461 -15.875 -18.382 1.00 54.40 H new ATOM 0 HE2 PHE A 10 -10.650 -13.225 -15.860 1.00 50.24 H new ATOM 0 HZ PHE A 10 -10.456 -15.386 -17.025 1.00 35.42 H new ATOM 137 N ASP A 11 -3.385 -11.036 -17.665 1.00 1.54 N ATOM 138 CA ASP A 11 -2.328 -10.042 -17.840 1.00 3.31 C ATOM 139 C ASP A 11 -2.870 -8.783 -18.498 1.00 75.40 C ATOM 140 O ASP A 11 -4.014 -8.746 -18.959 1.00 13.31 O ATOM 141 CB ASP A 11 -1.159 -10.608 -18.651 1.00 60.33 C ATOM 142 CG ASP A 11 -0.510 -11.812 -17.988 1.00 70.42 C ATOM 143 OD1 ASP A 11 -0.087 -11.703 -16.818 1.00 15.20 O ATOM 144 OD2 ASP A 11 -0.417 -12.875 -18.643 1.00 63.02 O ATOM 0 H ASP A 11 -3.374 -11.792 -18.350 1.00 1.54 H new ATOM 0 HA ASP A 11 -1.956 -9.781 -16.849 1.00 3.31 H new ATOM 0 HB2 ASP A 11 -1.514 -10.892 -19.642 1.00 60.33 H new ATOM 0 HB3 ASP A 11 -0.410 -9.829 -18.792 1.00 60.33 H new ATOM 149 N ASP A 12 -2.025 -7.763 -18.569 1.00 41.24 N ATOM 150 CA ASP A 12 -2.448 -6.429 -18.990 1.00 42.44 C ATOM 151 C ASP A 12 -2.285 -6.256 -20.505 1.00 73.54 C ATOM 152 O ASP A 12 -2.160 -5.140 -21.006 1.00 63.12 O ATOM 153 CB ASP A 12 -1.632 -5.367 -18.225 1.00 5.22 C ATOM 154 CG ASP A 12 -2.375 -4.048 -18.060 1.00 31.25 C ATOM 155 OD1 ASP A 12 -3.373 -4.021 -17.308 1.00 14.35 O ATOM 156 OD2 ASP A 12 -1.936 -3.026 -18.626 1.00 43.52 O ATOM 0 H ASP A 12 -1.034 -7.833 -18.339 1.00 41.24 H new ATOM 0 HA ASP A 12 -3.505 -6.302 -18.757 1.00 42.44 H new ATOM 0 HB2 ASP A 12 -1.372 -5.757 -17.241 1.00 5.22 H new ATOM 0 HB3 ASP A 12 -0.696 -5.186 -18.753 1.00 5.22 H new ATOM 161 N ASP A 13 -2.316 -7.374 -21.238 1.00 11.11 N ATOM 162 CA ASP A 13 -2.209 -7.356 -22.704 1.00 23.12 C ATOM 163 C ASP A 13 -3.358 -6.565 -23.333 1.00 30.54 C ATOM 164 O ASP A 13 -3.307 -6.200 -24.508 1.00 12.41 O ATOM 165 CB ASP A 13 -2.202 -8.788 -23.269 1.00 74.53 C ATOM 166 CG ASP A 13 -0.958 -9.579 -22.881 1.00 12.31 C ATOM 167 OD1 ASP A 13 -0.964 -10.221 -21.812 1.00 60.13 O ATOM 168 OD2 ASP A 13 0.027 -9.573 -23.653 1.00 73.14 O ATOM 0 H ASP A 13 -2.415 -8.308 -20.839 1.00 11.11 H new ATOM 0 HA ASP A 13 -1.268 -6.867 -22.956 1.00 23.12 H new ATOM 0 HB2 ASP A 13 -3.087 -9.317 -22.914 1.00 74.53 H new ATOM 0 HB3 ASP A 13 -2.272 -8.744 -24.356 1.00 74.53 H new ATOM 173 N ASN A 14 -4.392 -6.309 -22.540 1.00 10.01 N ATOM 174 CA ASN A 14 -5.561 -5.550 -22.981 1.00 44.32 C ATOM 175 C ASN A 14 -5.427 -4.078 -22.581 1.00 62.12 C ATOM 176 O ASN A 14 -6.404 -3.326 -22.607 1.00 31.00 O ATOM 177 CB ASN A 14 -6.833 -6.152 -22.366 1.00 31.51 C ATOM 178 CG ASN A 14 -6.845 -6.077 -20.844 1.00 23.43 C ATOM 179 OD1 ASN A 14 -7.354 -5.122 -20.260 1.00 1.41 O ATOM 180 ND2 ASN A 14 -6.289 -7.090 -20.191 1.00 73.33 N ATOM 0 H ASN A 14 -4.445 -6.622 -21.571 1.00 10.01 H new ATOM 0 HA ASN A 14 -5.627 -5.607 -24.068 1.00 44.32 H new ATOM 0 HB2 ASN A 14 -7.704 -5.627 -22.758 1.00 31.51 H new ATOM 0 HB3 ASN A 14 -6.923 -7.194 -22.675 1.00 31.51 H new ATOM 0 HD21 ASN A 14 -6.275 -7.093 -19.171 1.00 73.33 H new ATOM 0 HD22 ASN A 14 -5.876 -7.866 -20.709 1.00 73.33 H new ATOM 187 N GLY A 15 -4.212 -3.685 -22.216 1.00 55.21 N ATOM 188 CA GLY A 15 -3.953 -2.354 -21.692 1.00 55.10 C ATOM 189 C GLY A 15 -4.313 -1.215 -22.639 1.00 5.11 C ATOM 190 O GLY A 15 -3.470 -0.740 -23.402 1.00 2.02 O ATOM 0 H GLY A 15 -3.384 -4.278 -22.275 1.00 55.21 H new ATOM 0 HA2 GLY A 15 -4.512 -2.228 -20.765 1.00 55.10 H new ATOM 0 HA3 GLY A 15 -2.896 -2.277 -21.439 1.00 55.10 H new ATOM 194 N SER A 16 -5.571 -0.787 -22.600 1.00 4.14 N ATOM 195 CA SER A 16 -5.984 0.470 -23.219 1.00 63.44 C ATOM 196 C SER A 16 -5.581 1.613 -22.290 1.00 71.32 C ATOM 197 O SER A 16 -6.419 2.231 -21.635 1.00 2.12 O ATOM 198 CB SER A 16 -7.495 0.456 -23.438 1.00 1.03 C ATOM 199 OG SER A 16 -7.874 -0.644 -24.252 1.00 70.32 O ATOM 0 H SER A 16 -6.328 -1.296 -22.143 1.00 4.14 H new ATOM 0 HA SER A 16 -5.501 0.602 -24.187 1.00 63.44 H new ATOM 0 HB2 SER A 16 -8.006 0.397 -22.477 1.00 1.03 H new ATOM 0 HB3 SER A 16 -7.808 1.388 -23.909 1.00 1.03 H new ATOM 0 HG SER A 16 -8.846 -0.637 -24.380 1.00 70.32 H new ATOM 205 N PHE A 17 -4.274 1.847 -22.221 1.00 33.31 N ATOM 206 CA PHE A 17 -3.677 2.500 -21.051 1.00 3.42 C ATOM 207 C PHE A 17 -2.282 3.066 -21.327 1.00 71.15 C ATOM 208 O PHE A 17 -1.480 2.435 -22.012 1.00 4.05 O ATOM 209 CB PHE A 17 -3.593 1.530 -19.855 1.00 25.25 C ATOM 210 CG PHE A 17 -4.921 1.219 -19.201 1.00 23.11 C ATOM 211 CD1 PHE A 17 -5.620 2.206 -18.517 1.00 74.21 C ATOM 212 CD2 PHE A 17 -5.471 -0.054 -19.276 1.00 3.25 C ATOM 213 CE1 PHE A 17 -6.834 1.927 -17.920 1.00 70.22 C ATOM 214 CE2 PHE A 17 -6.687 -0.336 -18.681 1.00 25.21 C ATOM 215 CZ PHE A 17 -7.369 0.656 -18.003 1.00 45.40 C ATOM 0 H PHE A 17 -3.609 1.598 -22.953 1.00 33.31 H new ATOM 0 HA PHE A 17 -4.338 3.333 -20.812 1.00 3.42 H new ATOM 0 HB2 PHE A 17 -3.142 0.597 -20.192 1.00 25.25 H new ATOM 0 HB3 PHE A 17 -2.925 1.955 -19.106 1.00 25.25 H new ATOM 0 HD1 PHE A 17 -5.209 3.203 -18.451 1.00 74.21 H new ATOM 0 HD2 PHE A 17 -4.943 -0.833 -19.805 1.00 3.25 H new ATOM 0 HE1 PHE A 17 -7.365 2.703 -17.388 1.00 70.22 H new ATOM 0 HE2 PHE A 17 -7.103 -1.330 -18.746 1.00 25.21 H new ATOM 0 HZ PHE A 17 -8.319 0.438 -17.538 1.00 45.40 H new ATOM 225 N PHE A 18 -2.013 4.256 -20.808 1.00 10.51 N ATOM 226 CA PHE A 18 -0.659 4.635 -20.411 1.00 50.04 C ATOM 227 C PHE A 18 -0.786 5.643 -19.271 1.00 10.14 C ATOM 228 O PHE A 18 -1.549 6.605 -19.389 1.00 64.22 O ATOM 229 CB PHE A 18 0.156 5.199 -21.592 1.00 0.03 C ATOM 230 CG PHE A 18 -0.143 6.632 -21.961 1.00 53.34 C ATOM 231 CD1 PHE A 18 -1.369 6.990 -22.501 1.00 61.11 C ATOM 232 CD2 PHE A 18 0.820 7.617 -21.788 1.00 52.42 C ATOM 233 CE1 PHE A 18 -1.628 8.298 -22.860 1.00 74.44 C ATOM 234 CE2 PHE A 18 0.564 8.926 -22.142 1.00 42.02 C ATOM 235 CZ PHE A 18 -0.661 9.266 -22.681 1.00 11.54 C ATOM 0 H PHE A 18 -2.715 4.979 -20.651 1.00 10.51 H new ATOM 0 HA PHE A 18 -0.107 3.756 -20.077 1.00 50.04 H new ATOM 0 HB2 PHE A 18 1.216 5.117 -21.351 1.00 0.03 H new ATOM 0 HB3 PHE A 18 -0.022 4.572 -22.466 1.00 0.03 H new ATOM 0 HD1 PHE A 18 -2.130 6.237 -22.642 1.00 61.11 H new ATOM 0 HD2 PHE A 18 1.781 7.356 -21.371 1.00 52.42 H new ATOM 0 HE1 PHE A 18 -2.587 8.563 -23.281 1.00 74.44 H new ATOM 0 HE2 PHE A 18 1.320 9.683 -21.998 1.00 42.02 H new ATOM 0 HZ PHE A 18 -0.862 10.289 -22.962 1.00 11.54 H new ATOM 245 N VAL A 19 -0.060 5.435 -18.168 1.00 64.01 N ATOM 246 CA VAL A 19 -0.240 6.278 -16.972 1.00 61.04 C ATOM 247 C VAL A 19 0.997 6.268 -16.071 1.00 43.40 C ATOM 248 O VAL A 19 1.402 5.212 -15.545 1.00 52.44 O ATOM 249 CB VAL A 19 -1.454 5.834 -16.093 1.00 53.32 C ATOM 250 CG1 VAL A 19 -1.684 6.831 -14.952 1.00 65.33 C ATOM 251 CG2 VAL A 19 -2.734 5.659 -16.904 1.00 2.33 C ATOM 0 H VAL A 19 0.646 4.705 -18.074 1.00 64.01 H new ATOM 0 HA VAL A 19 -0.418 7.278 -17.366 1.00 61.04 H new ATOM 0 HB VAL A 19 -1.201 4.859 -15.677 1.00 53.32 H new ATOM 0 HG11 VAL A 19 -2.533 6.506 -14.350 1.00 65.33 H new ATOM 0 HG12 VAL A 19 -0.793 6.879 -14.326 1.00 65.33 H new ATOM 0 HG13 VAL A 19 -1.890 7.818 -15.367 1.00 65.33 H new ATOM 0 HG21 VAL A 19 -3.544 5.350 -16.243 1.00 2.33 H new ATOM 0 HG22 VAL A 19 -2.995 6.604 -17.381 1.00 2.33 H new ATOM 0 HG23 VAL A 19 -2.579 4.898 -17.668 1.00 2.33 H new ATOM 261 N LEU A 20 1.568 7.450 -15.865 1.00 71.33 N ATOM 262 CA LEU A 20 2.644 7.634 -14.899 1.00 52.24 C ATOM 263 C LEU A 20 2.060 8.135 -13.583 1.00 2.41 C ATOM 264 O LEU A 20 1.286 9.102 -13.560 1.00 61.32 O ATOM 265 CB LEU A 20 3.690 8.630 -15.418 1.00 34.34 C ATOM 266 CG LEU A 20 4.846 8.940 -14.443 1.00 23.03 C ATOM 267 CD1 LEU A 20 5.630 7.676 -14.104 1.00 45.00 C ATOM 268 CD2 LEU A 20 5.773 10.006 -15.020 1.00 31.20 C ATOM 0 H LEU A 20 1.300 8.301 -16.359 1.00 71.33 H new ATOM 0 HA LEU A 20 3.139 6.675 -14.744 1.00 52.24 H new ATOM 0 HB2 LEU A 20 4.112 8.239 -16.344 1.00 34.34 H new ATOM 0 HB3 LEU A 20 3.186 9.564 -15.667 1.00 34.34 H new ATOM 0 HG LEU A 20 4.410 9.327 -13.522 1.00 23.03 H new ATOM 0 HD11 LEU A 20 6.438 7.923 -13.416 1.00 45.00 H new ATOM 0 HD12 LEU A 20 4.965 6.950 -13.637 1.00 45.00 H new ATOM 0 HD13 LEU A 20 6.048 7.251 -15.017 1.00 45.00 H new ATOM 0 HD21 LEU A 20 6.579 10.207 -14.315 1.00 31.20 H new ATOM 0 HD22 LEU A 20 6.194 9.652 -15.961 1.00 31.20 H new ATOM 0 HD23 LEU A 20 5.209 10.922 -15.197 1.00 31.20 H new ATOM 280 N VAL A 21 2.417 7.466 -12.495 1.00 52.14 N ATOM 281 CA VAL A 21 1.967 7.854 -11.168 1.00 71.23 C ATOM 282 C VAL A 21 3.163 8.160 -10.272 1.00 12.22 C ATOM 283 O VAL A 21 4.074 7.343 -10.121 1.00 72.33 O ATOM 284 CB VAL A 21 1.104 6.745 -10.509 1.00 12.52 C ATOM 285 CG1 VAL A 21 0.599 7.181 -9.132 1.00 73.44 C ATOM 286 CG2 VAL A 21 -0.064 6.359 -11.417 1.00 14.24 C ATOM 0 H VAL A 21 3.022 6.645 -12.508 1.00 52.14 H new ATOM 0 HA VAL A 21 1.352 8.747 -11.282 1.00 71.23 H new ATOM 0 HB VAL A 21 1.736 5.868 -10.370 1.00 12.52 H new ATOM 0 HG11 VAL A 21 -0.002 6.383 -8.696 1.00 73.44 H new ATOM 0 HG12 VAL A 21 1.449 7.391 -8.483 1.00 73.44 H new ATOM 0 HG13 VAL A 21 -0.010 8.079 -9.235 1.00 73.44 H new ATOM 0 HG21 VAL A 21 -0.656 5.580 -10.937 1.00 14.24 H new ATOM 0 HG22 VAL A 21 -0.690 7.233 -11.596 1.00 14.24 H new ATOM 0 HG23 VAL A 21 0.321 5.988 -12.367 1.00 14.24 H new ATOM 296 N ASN A 22 3.152 9.342 -9.687 1.00 5.53 N ATOM 297 CA ASN A 22 4.166 9.744 -8.725 1.00 74.14 C ATOM 298 C ASN A 22 3.766 9.252 -7.343 1.00 13.30 C ATOM 299 O ASN A 22 2.576 9.094 -7.064 1.00 42.42 O ATOM 300 CB ASN A 22 4.309 11.276 -8.702 1.00 33.32 C ATOM 301 CG ASN A 22 4.785 11.860 -10.025 1.00 72.42 C ATOM 302 OD1 ASN A 22 4.566 11.288 -11.089 1.00 41.10 O ATOM 303 ND2 ASN A 22 5.423 13.019 -9.965 1.00 14.32 N ATOM 0 H ASN A 22 2.441 10.052 -9.863 1.00 5.53 H new ATOM 0 HA ASN A 22 5.122 9.308 -9.014 1.00 74.14 H new ATOM 0 HB2 ASN A 22 3.347 11.719 -8.443 1.00 33.32 H new ATOM 0 HB3 ASN A 22 5.011 11.556 -7.917 1.00 33.32 H new ATOM 0 HD21 ASN A 22 5.750 13.466 -10.821 1.00 14.32 H new ATOM 0 HD22 ASN A 22 5.587 13.465 -9.062 1.00 14.32 H new ATOM 310 N ASP A 23 4.744 9.026 -6.468 1.00 70.14 N ATOM 311 CA ASP A 23 4.448 8.674 -5.076 1.00 12.10 C ATOM 312 C ASP A 23 3.736 9.848 -4.390 1.00 71.41 C ATOM 313 O ASP A 23 3.219 9.730 -3.278 1.00 71.12 O ATOM 314 CB ASP A 23 5.728 8.292 -4.318 1.00 34.54 C ATOM 315 CG ASP A 23 5.444 7.795 -2.905 1.00 42.35 C ATOM 316 OD1 ASP A 23 4.831 6.713 -2.759 1.00 1.54 O ATOM 317 OD2 ASP A 23 5.819 8.488 -1.939 1.00 24.14 O ATOM 0 H ASP A 23 5.738 9.079 -6.692 1.00 70.14 H new ATOM 0 HA ASP A 23 3.791 7.804 -5.066 1.00 12.10 H new ATOM 0 HB2 ASP A 23 6.257 7.517 -4.873 1.00 34.54 H new ATOM 0 HB3 ASP A 23 6.389 9.157 -4.269 1.00 34.54 H new ATOM 322 N GLU A 24 3.716 10.981 -5.092 1.00 62.34 N ATOM 323 CA GLU A 24 2.963 12.165 -4.677 1.00 11.53 C ATOM 324 C GLU A 24 1.480 12.003 -5.039 1.00 61.53 C ATOM 325 O GLU A 24 0.703 12.951 -4.938 1.00 72.22 O ATOM 326 CB GLU A 24 3.539 13.410 -5.377 1.00 73.32 C ATOM 327 CG GLU A 24 5.052 13.557 -5.234 1.00 13.22 C ATOM 328 CD GLU A 24 5.621 14.645 -6.131 1.00 2.14 C ATOM 329 OE1 GLU A 24 5.668 14.434 -7.360 1.00 11.22 O ATOM 330 OE2 GLU A 24 6.016 15.711 -5.616 1.00 51.24 O ATOM 0 H GLU A 24 4.224 11.104 -5.968 1.00 62.34 H new ATOM 0 HA GLU A 24 3.049 12.283 -3.597 1.00 11.53 H new ATOM 0 HB2 GLU A 24 3.287 13.368 -6.437 1.00 73.32 H new ATOM 0 HB3 GLU A 24 3.058 14.299 -4.970 1.00 73.32 H new ATOM 0 HG2 GLU A 24 5.295 13.783 -4.196 1.00 13.22 H new ATOM 0 HG3 GLU A 24 5.530 12.607 -5.473 1.00 13.22 H new ATOM 337 N GLU A 25 1.118 10.798 -5.500 1.00 62.13 N ATOM 338 CA GLU A 25 -0.263 10.448 -5.854 1.00 0.22 C ATOM 339 C GLU A 25 -0.713 11.131 -7.152 1.00 61.13 C ATOM 340 O GLU A 25 -1.880 11.032 -7.544 1.00 70.13 O ATOM 341 CB GLU A 25 -1.227 10.753 -4.694 1.00 4.34 C ATOM 342 CG GLU A 25 -0.967 9.901 -3.452 1.00 45.50 C ATOM 343 CD GLU A 25 -1.948 10.179 -2.325 1.00 73.30 C ATOM 344 OE1 GLU A 25 -3.144 9.846 -2.476 1.00 32.12 O ATOM 345 OE2 GLU A 25 -1.529 10.714 -1.276 1.00 62.44 O ATOM 0 H GLU A 25 1.780 10.034 -5.638 1.00 62.13 H new ATOM 0 HA GLU A 25 -0.289 9.374 -6.035 1.00 0.22 H new ATOM 0 HB2 GLU A 25 -1.142 11.807 -4.428 1.00 4.34 H new ATOM 0 HB3 GLU A 25 -2.251 10.591 -5.030 1.00 4.34 H new ATOM 0 HG2 GLU A 25 -1.023 8.847 -3.723 1.00 45.50 H new ATOM 0 HG3 GLU A 25 0.047 10.086 -3.097 1.00 45.50 H new ATOM 352 N GLN A 26 0.220 11.798 -7.828 1.00 10.22 N ATOM 353 CA GLN A 26 -0.052 12.381 -9.140 1.00 54.01 C ATOM 354 C GLN A 26 -0.201 11.256 -10.158 1.00 30.13 C ATOM 355 O GLN A 26 0.725 10.477 -10.349 1.00 21.03 O ATOM 356 CB GLN A 26 1.087 13.317 -9.575 1.00 31.13 C ATOM 357 CG GLN A 26 1.396 14.433 -8.586 1.00 12.34 C ATOM 358 CD GLN A 26 2.451 15.396 -9.111 1.00 24.51 C ATOM 359 OE1 GLN A 26 2.552 15.626 -10.316 1.00 3.34 O ATOM 360 NE2 GLN A 26 3.250 15.960 -8.217 1.00 4.44 N ATOM 0 H GLN A 26 1.170 11.948 -7.489 1.00 10.22 H new ATOM 0 HA GLN A 26 -0.970 12.965 -9.081 1.00 54.01 H new ATOM 0 HB2 GLN A 26 1.989 12.725 -9.729 1.00 31.13 H new ATOM 0 HB3 GLN A 26 0.829 13.761 -10.536 1.00 31.13 H new ATOM 0 HG2 GLN A 26 0.482 14.984 -8.367 1.00 12.34 H new ATOM 0 HG3 GLN A 26 1.739 13.998 -7.647 1.00 12.34 H new ATOM 0 HE21 GLN A 26 3.138 15.746 -7.226 1.00 4.44 H new ATOM 0 HE22 GLN A 26 3.977 16.608 -8.520 1.00 4.44 H new ATOM 369 N HIS A 27 -1.359 11.166 -10.801 1.00 62.23 N ATOM 370 CA HIS A 27 -1.647 10.061 -11.713 1.00 32.31 C ATOM 371 C HIS A 27 -2.140 10.587 -13.059 1.00 32.43 C ATOM 372 O HIS A 27 -3.287 11.019 -13.183 1.00 70.43 O ATOM 373 CB HIS A 27 -2.681 9.106 -11.083 1.00 4.31 C ATOM 374 CG HIS A 27 -3.936 9.783 -10.595 1.00 71.13 C ATOM 375 ND1 HIS A 27 -4.059 10.324 -9.331 1.00 63.43 N ATOM 376 CD2 HIS A 27 -5.124 10.003 -11.210 1.00 74.11 C ATOM 377 CE1 HIS A 27 -5.266 10.843 -9.192 1.00 60.13 C ATOM 378 NE2 HIS A 27 -5.929 10.664 -10.318 1.00 72.25 N ATOM 0 H HIS A 27 -2.115 11.844 -10.709 1.00 62.23 H new ATOM 0 HA HIS A 27 -0.726 9.504 -11.888 1.00 32.31 H new ATOM 0 HB2 HIS A 27 -2.953 8.349 -11.818 1.00 4.31 H new ATOM 0 HB3 HIS A 27 -2.215 8.585 -10.247 1.00 4.31 H new ATOM 0 HD1 HIS A 27 -3.332 10.323 -8.616 1.00 63.43 H new ATOM 0 HD2 HIS A 27 -5.388 9.712 -12.216 1.00 74.11 H new ATOM 0 HE1 HIS A 27 -5.645 11.331 -8.306 1.00 60.13 H new ATOM 387 N SER A 28 -1.274 10.556 -14.068 1.00 43.31 N ATOM 388 CA SER A 28 -1.627 11.082 -15.383 1.00 70.43 C ATOM 389 C SER A 28 -0.611 10.632 -16.438 1.00 3.04 C ATOM 390 O SER A 28 0.225 9.770 -16.177 1.00 45.11 O ATOM 391 CB SER A 28 -1.708 12.619 -15.331 1.00 24.32 C ATOM 392 OG SER A 28 -2.296 13.148 -16.513 1.00 33.21 O ATOM 0 H SER A 28 -0.330 10.175 -14.002 1.00 43.31 H new ATOM 0 HA SER A 28 -2.603 10.688 -15.665 1.00 70.43 H new ATOM 0 HB2 SER A 28 -2.293 12.925 -14.464 1.00 24.32 H new ATOM 0 HB3 SER A 28 -0.708 13.033 -15.203 1.00 24.32 H new ATOM 0 HG SER A 28 -2.335 14.125 -16.450 1.00 33.21 H new ATOM 398 N LEU A 29 -0.701 11.222 -17.627 1.00 3.41 N ATOM 399 CA LEU A 29 0.174 10.885 -18.749 1.00 62.52 C ATOM 400 C LEU A 29 1.602 11.385 -18.517 1.00 23.32 C ATOM 401 O LEU A 29 1.865 12.116 -17.559 1.00 31.35 O ATOM 402 CB LEU A 29 -0.410 11.459 -20.057 1.00 32.03 C ATOM 403 CG LEU A 29 -0.806 12.954 -20.039 1.00 23.25 C ATOM 404 CD1 LEU A 29 0.418 13.870 -20.112 1.00 5.44 C ATOM 405 CD2 LEU A 29 -1.775 13.267 -21.178 1.00 25.14 C ATOM 0 H LEU A 29 -1.384 11.949 -17.841 1.00 3.41 H new ATOM 0 HA LEU A 29 0.225 9.799 -18.832 1.00 62.52 H new ATOM 0 HB2 LEU A 29 0.321 11.309 -20.851 1.00 32.03 H new ATOM 0 HB3 LEU A 29 -1.292 10.876 -20.322 1.00 32.03 H new ATOM 0 HG LEU A 29 -1.304 13.147 -19.089 1.00 23.25 H new ATOM 0 HD11 LEU A 29 0.095 14.911 -20.097 1.00 5.44 H new ATOM 0 HD12 LEU A 29 1.067 13.679 -19.257 1.00 5.44 H new ATOM 0 HD13 LEU A 29 0.965 13.673 -21.034 1.00 5.44 H new ATOM 0 HD21 LEU A 29 -2.042 14.323 -21.149 1.00 25.14 H new ATOM 0 HD22 LEU A 29 -1.300 13.039 -22.132 1.00 25.14 H new ATOM 0 HD23 LEU A 29 -2.675 12.662 -21.067 1.00 25.14 H new ATOM 417 N TRP A 30 2.516 11.007 -19.406 1.00 23.42 N ATOM 418 CA TRP A 30 3.925 11.355 -19.257 1.00 41.14 C ATOM 419 C TRP A 30 4.616 11.411 -20.620 1.00 34.24 C ATOM 420 O TRP A 30 4.148 10.797 -21.580 1.00 3.43 O ATOM 421 CB TRP A 30 4.622 10.323 -18.355 1.00 13.11 C ATOM 422 CG TRP A 30 4.646 8.929 -18.928 1.00 12.31 C ATOM 423 CD1 TRP A 30 3.570 8.128 -19.196 1.00 71.00 C ATOM 424 CD2 TRP A 30 5.806 8.172 -19.292 1.00 3.12 C ATOM 425 NE1 TRP A 30 3.992 6.931 -19.718 1.00 33.35 N ATOM 426 CE2 TRP A 30 5.361 6.933 -19.785 1.00 25.44 C ATOM 427 CE3 TRP A 30 7.179 8.429 -19.256 1.00 53.21 C ATOM 428 CZ2 TRP A 30 6.239 5.951 -20.233 1.00 51.20 C ATOM 429 CZ3 TRP A 30 8.052 7.453 -19.700 1.00 55.34 C ATOM 430 CH2 TRP A 30 7.578 6.227 -20.187 1.00 73.31 C ATOM 0 H TRP A 30 2.305 10.458 -20.239 1.00 23.42 H new ATOM 0 HA TRP A 30 3.993 12.341 -18.797 1.00 41.14 H new ATOM 0 HB2 TRP A 30 5.646 10.648 -18.172 1.00 13.11 H new ATOM 0 HB3 TRP A 30 4.118 10.300 -17.389 1.00 13.11 H new ATOM 0 HD1 TRP A 30 2.539 8.398 -19.022 1.00 71.00 H new ATOM 0 HE1 TRP A 30 3.385 6.164 -20.009 1.00 33.35 H new ATOM 0 HE3 TRP A 30 7.552 9.373 -18.888 1.00 53.21 H new ATOM 0 HZ2 TRP A 30 5.876 5.004 -20.604 1.00 51.20 H new ATOM 0 HZ3 TRP A 30 9.116 7.638 -19.671 1.00 55.34 H new ATOM 0 HH2 TRP A 30 8.284 5.486 -20.533 1.00 73.31 H new ATOM 441 N PRO A 31 5.728 12.165 -20.731 1.00 52.54 N ATOM 442 CA PRO A 31 6.528 12.207 -21.954 1.00 35.33 C ATOM 443 C PRO A 31 7.288 10.894 -22.166 1.00 43.41 C ATOM 444 O PRO A 31 8.388 10.708 -21.641 1.00 35.31 O ATOM 445 CB PRO A 31 7.507 13.380 -21.727 1.00 30.22 C ATOM 446 CG PRO A 31 7.008 14.086 -20.504 1.00 33.12 C ATOM 447 CD PRO A 31 6.285 13.046 -19.693 1.00 24.30 C ATOM 0 HA PRO A 31 5.914 12.340 -22.845 1.00 35.33 H new ATOM 0 HB2 PRO A 31 8.526 13.019 -21.584 1.00 30.22 H new ATOM 0 HB3 PRO A 31 7.524 14.049 -22.587 1.00 30.22 H new ATOM 0 HG2 PRO A 31 7.834 14.518 -19.938 1.00 33.12 H new ATOM 0 HG3 PRO A 31 6.341 14.906 -20.771 1.00 33.12 H new ATOM 0 HD2 PRO A 31 6.960 12.510 -19.025 1.00 24.30 H new ATOM 0 HD3 PRO A 31 5.505 13.486 -19.072 1.00 24.30 H new ATOM 455 N ALA A 32 6.686 9.983 -22.926 1.00 64.13 N ATOM 456 CA ALA A 32 7.271 8.667 -23.193 1.00 5.22 C ATOM 457 C ALA A 32 8.553 8.761 -24.023 1.00 54.03 C ATOM 458 O ALA A 32 9.189 7.748 -24.314 1.00 51.42 O ATOM 459 CB ALA A 32 6.251 7.781 -23.893 1.00 31.45 C ATOM 0 H ALA A 32 5.782 10.133 -23.374 1.00 64.13 H new ATOM 0 HA ALA A 32 7.542 8.225 -22.234 1.00 5.22 H new ATOM 0 HB1 ALA A 32 6.692 6.804 -24.089 1.00 31.45 H new ATOM 0 HB2 ALA A 32 5.374 7.663 -23.256 1.00 31.45 H new ATOM 0 HB3 ALA A 32 5.955 8.241 -24.836 1.00 31.45 H new ATOM 465 N PHE A 33 8.927 9.977 -24.405 1.00 65.24 N ATOM 466 CA PHE A 33 10.123 10.205 -25.213 1.00 41.30 C ATOM 467 C PHE A 33 11.386 10.222 -24.343 1.00 64.43 C ATOM 468 O PHE A 33 12.491 10.441 -24.844 1.00 54.03 O ATOM 469 CB PHE A 33 9.990 11.524 -25.984 1.00 70.23 C ATOM 470 CG PHE A 33 8.751 11.590 -26.844 1.00 14.54 C ATOM 471 CD1 PHE A 33 8.769 11.120 -28.152 1.00 21.21 C ATOM 472 CD2 PHE A 33 7.567 12.115 -26.342 1.00 34.35 C ATOM 473 CE1 PHE A 33 7.632 11.175 -28.939 1.00 25.54 C ATOM 474 CE2 PHE A 33 6.431 12.172 -27.125 1.00 3.51 C ATOM 475 CZ PHE A 33 6.463 11.703 -28.424 1.00 72.43 C ATOM 0 H PHE A 33 8.416 10.827 -24.167 1.00 65.24 H new ATOM 0 HA PHE A 33 10.217 9.383 -25.923 1.00 41.30 H new ATOM 0 HB2 PHE A 33 9.976 12.352 -25.275 1.00 70.23 H new ATOM 0 HB3 PHE A 33 10.869 11.659 -26.614 1.00 70.23 H new ATOM 0 HD1 PHE A 33 9.680 10.707 -28.559 1.00 21.21 H new ATOM 0 HD2 PHE A 33 7.535 12.483 -25.327 1.00 34.35 H new ATOM 0 HE1 PHE A 33 7.658 10.806 -29.954 1.00 25.54 H new ATOM 0 HE2 PHE A 33 5.517 12.583 -26.722 1.00 3.51 H new ATOM 0 HZ PHE A 33 5.575 11.749 -29.037 1.00 72.43 H new ATOM 485 N ALA A 34 11.220 9.987 -23.042 1.00 11.31 N ATOM 486 CA ALA A 34 12.343 9.974 -22.104 1.00 4.15 C ATOM 487 C ALA A 34 12.216 8.811 -21.123 1.00 15.35 C ATOM 488 O ALA A 34 11.209 8.095 -21.121 1.00 1.33 O ATOM 489 CB ALA A 34 12.420 11.299 -21.349 1.00 42.14 C ATOM 0 H ALA A 34 10.314 9.802 -22.611 1.00 11.31 H new ATOM 0 HA ALA A 34 13.263 9.842 -22.674 1.00 4.15 H new ATOM 0 HB1 ALA A 34 13.260 11.274 -20.655 1.00 42.14 H new ATOM 0 HB2 ALA A 34 12.559 12.115 -22.059 1.00 42.14 H new ATOM 0 HB3 ALA A 34 11.495 11.456 -20.794 1.00 42.14 H new ATOM 495 N ASP A 35 13.245 8.626 -20.299 1.00 65.10 N ATOM 496 CA ASP A 35 13.251 7.580 -19.275 1.00 21.44 C ATOM 497 C ASP A 35 12.622 8.106 -17.989 1.00 35.34 C ATOM 498 O ASP A 35 12.841 9.263 -17.610 1.00 10.32 O ATOM 499 CB ASP A 35 14.681 7.084 -19.006 1.00 10.33 C ATOM 500 CG ASP A 35 14.734 5.948 -17.989 1.00 71.31 C ATOM 501 OD1 ASP A 35 13.974 4.967 -18.143 1.00 74.13 O ATOM 502 OD2 ASP A 35 15.534 6.028 -17.029 1.00 62.15 O ATOM 0 H ASP A 35 14.093 9.192 -20.320 1.00 65.10 H new ATOM 0 HA ASP A 35 12.663 6.737 -19.639 1.00 21.44 H new ATOM 0 HB2 ASP A 35 15.126 6.747 -19.943 1.00 10.33 H new ATOM 0 HB3 ASP A 35 15.287 7.916 -18.646 1.00 10.33 H new ATOM 507 N VAL A 36 11.834 7.258 -17.338 1.00 51.02 N ATOM 508 CA VAL A 36 11.091 7.640 -16.137 1.00 14.20 C ATOM 509 C VAL A 36 12.032 8.110 -15.023 1.00 74.22 C ATOM 510 O VAL A 36 12.900 7.356 -14.582 1.00 4.35 O ATOM 511 CB VAL A 36 10.238 6.459 -15.606 1.00 52.15 C ATOM 512 CG1 VAL A 36 9.385 6.888 -14.411 1.00 54.14 C ATOM 513 CG2 VAL A 36 9.366 5.881 -16.721 1.00 3.12 C ATOM 0 H VAL A 36 11.691 6.290 -17.624 1.00 51.02 H new ATOM 0 HA VAL A 36 10.434 8.462 -16.422 1.00 14.20 H new ATOM 0 HB VAL A 36 10.917 5.678 -15.264 1.00 52.15 H new ATOM 0 HG11 VAL A 36 8.798 6.040 -14.060 1.00 54.14 H new ATOM 0 HG12 VAL A 36 10.034 7.238 -13.608 1.00 54.14 H new ATOM 0 HG13 VAL A 36 8.715 7.693 -14.713 1.00 54.14 H new ATOM 0 HG21 VAL A 36 8.775 5.053 -16.329 1.00 3.12 H new ATOM 0 HG22 VAL A 36 8.699 6.656 -17.100 1.00 3.12 H new ATOM 0 HG23 VAL A 36 10.001 5.521 -17.530 1.00 3.12 H new ATOM 523 N PRO A 37 11.879 9.370 -14.563 1.00 42.20 N ATOM 524 CA PRO A 37 12.689 9.916 -13.467 1.00 21.34 C ATOM 525 C PRO A 37 12.597 9.053 -12.204 1.00 1.14 C ATOM 526 O PRO A 37 11.517 8.571 -11.843 1.00 71.23 O ATOM 527 CB PRO A 37 12.081 11.306 -13.223 1.00 33.33 C ATOM 528 CG PRO A 37 11.416 11.662 -14.511 1.00 74.14 C ATOM 529 CD PRO A 37 10.915 10.362 -15.083 1.00 3.15 C ATOM 0 HA PRO A 37 13.750 9.948 -13.716 1.00 21.34 H new ATOM 0 HB2 PRO A 37 11.366 11.286 -12.401 1.00 33.33 H new ATOM 0 HB3 PRO A 37 12.849 12.033 -12.960 1.00 33.33 H new ATOM 0 HG2 PRO A 37 10.595 12.360 -14.348 1.00 74.14 H new ATOM 0 HG3 PRO A 37 12.116 12.146 -15.192 1.00 74.14 H new ATOM 0 HD2 PRO A 37 9.898 10.144 -14.757 1.00 3.15 H new ATOM 0 HD3 PRO A 37 10.904 10.379 -16.173 1.00 3.15 H new ATOM 537 N ALA A 38 13.737 8.866 -11.543 1.00 5.25 N ATOM 538 CA ALA A 38 13.821 8.017 -10.358 1.00 34.34 C ATOM 539 C ALA A 38 12.858 8.481 -9.269 1.00 32.33 C ATOM 540 O ALA A 38 12.856 9.655 -8.886 1.00 13.31 O ATOM 541 CB ALA A 38 15.249 7.994 -9.827 1.00 11.05 C ATOM 0 H ALA A 38 14.622 9.295 -11.811 1.00 5.25 H new ATOM 0 HA ALA A 38 13.533 7.007 -10.649 1.00 34.34 H new ATOM 0 HB1 ALA A 38 15.298 7.358 -8.943 1.00 11.05 H new ATOM 0 HB2 ALA A 38 15.916 7.602 -10.594 1.00 11.05 H new ATOM 0 HB3 ALA A 38 15.555 9.006 -9.563 1.00 11.05 H new ATOM 547 N GLY A 39 12.045 7.551 -8.776 1.00 34.21 N ATOM 548 CA GLY A 39 11.086 7.859 -7.729 1.00 13.01 C ATOM 549 C GLY A 39 9.649 7.738 -8.199 1.00 60.32 C ATOM 550 O GLY A 39 8.738 7.551 -7.389 1.00 53.32 O ATOM 0 H GLY A 39 12.034 6.580 -9.087 1.00 34.21 H new ATOM 0 HA2 GLY A 39 11.246 7.187 -6.886 1.00 13.01 H new ATOM 0 HA3 GLY A 39 11.262 8.872 -7.367 1.00 13.01 H new ATOM 554 N TRP A 40 9.435 7.858 -9.508 1.00 51.51 N ATOM 555 CA TRP A 40 8.091 7.754 -10.076 1.00 73.43 C ATOM 556 C TRP A 40 7.802 6.313 -10.500 1.00 13.52 C ATOM 557 O TRP A 40 8.724 5.555 -10.817 1.00 74.51 O ATOM 558 CB TRP A 40 7.927 8.694 -11.280 1.00 45.14 C ATOM 559 CG TRP A 40 8.329 10.124 -11.021 1.00 44.13 C ATOM 560 CD1 TRP A 40 8.840 10.991 -11.942 1.00 34.43 C ATOM 561 CD2 TRP A 40 8.262 10.854 -9.779 1.00 12.14 C ATOM 562 NE1 TRP A 40 9.098 12.207 -11.359 1.00 74.20 N ATOM 563 CE2 TRP A 40 8.754 12.151 -10.035 1.00 71.13 C ATOM 564 CE3 TRP A 40 7.838 10.545 -8.479 1.00 32.41 C ATOM 565 CZ2 TRP A 40 8.835 13.129 -9.043 1.00 14.53 C ATOM 566 CZ3 TRP A 40 7.920 11.515 -7.499 1.00 71.15 C ATOM 567 CH2 TRP A 40 8.413 12.794 -7.785 1.00 62.31 C ATOM 0 H TRP A 40 10.171 8.027 -10.193 1.00 51.51 H new ATOM 0 HA TRP A 40 7.378 8.050 -9.307 1.00 73.43 H new ATOM 0 HB2 TRP A 40 8.521 8.308 -12.109 1.00 45.14 H new ATOM 0 HB3 TRP A 40 6.885 8.676 -11.599 1.00 45.14 H new ATOM 0 HD1 TRP A 40 9.016 10.755 -12.981 1.00 34.43 H new ATOM 0 HE1 TRP A 40 9.484 13.022 -11.836 1.00 74.20 H new ATOM 0 HE3 TRP A 40 7.453 9.563 -8.247 1.00 32.41 H new ATOM 0 HZ2 TRP A 40 9.217 14.115 -9.260 1.00 14.53 H new ATOM 0 HZ3 TRP A 40 7.598 11.283 -6.495 1.00 71.15 H new ATOM 0 HH2 TRP A 40 8.461 13.531 -6.997 1.00 62.31 H new ATOM 578 N ARG A 41 6.524 5.939 -10.498 1.00 24.31 N ATOM 579 CA ARG A 41 6.102 4.590 -10.870 1.00 20.05 C ATOM 580 C ARG A 41 5.090 4.658 -12.011 1.00 55.23 C ATOM 581 O ARG A 41 4.084 5.350 -11.907 1.00 13.03 O ATOM 582 CB ARG A 41 5.457 3.884 -9.663 1.00 53.34 C ATOM 583 CG ARG A 41 6.368 3.745 -8.439 1.00 52.42 C ATOM 584 CD ARG A 41 7.432 2.665 -8.621 1.00 12.34 C ATOM 585 NE ARG A 41 8.380 2.984 -9.689 1.00 63.22 N ATOM 586 CZ ARG A 41 9.051 2.075 -10.395 1.00 44.45 C ATOM 587 NH1 ARG A 41 8.893 0.778 -10.150 1.00 42.12 N ATOM 588 NH2 ARG A 41 9.890 2.466 -11.347 1.00 31.14 N ATOM 0 H ARG A 41 5.756 6.558 -10.240 1.00 24.31 H new ATOM 0 HA ARG A 41 6.978 4.027 -11.192 1.00 20.05 H new ATOM 0 HB2 ARG A 41 4.563 4.435 -9.372 1.00 53.34 H new ATOM 0 HB3 ARG A 41 5.132 2.890 -9.972 1.00 53.34 H new ATOM 0 HG2 ARG A 41 6.855 4.700 -8.242 1.00 52.42 H new ATOM 0 HG3 ARG A 41 5.762 3.510 -7.564 1.00 52.42 H new ATOM 0 HD2 ARG A 41 7.975 2.534 -7.685 1.00 12.34 H new ATOM 0 HD3 ARG A 41 6.946 1.715 -8.843 1.00 12.34 H new ATOM 0 HE ARG A 41 8.538 3.968 -9.908 1.00 63.22 H new ATOM 0 HH11 ARG A 41 8.254 0.472 -9.416 1.00 42.12 H new ATOM 0 HH12 ARG A 41 9.411 0.089 -10.696 1.00 42.12 H new ATOM 0 HH21 ARG A 41 10.019 3.460 -11.536 1.00 31.14 H new ATOM 0 HH22 ARG A 41 10.405 1.772 -11.889 1.00 31.14 H new ATOM 602 N VAL A 42 5.348 3.941 -13.096 1.00 41.41 N ATOM 603 CA VAL A 42 4.391 3.864 -14.195 1.00 54.33 C ATOM 604 C VAL A 42 3.392 2.755 -13.890 1.00 41.04 C ATOM 605 O VAL A 42 3.778 1.588 -13.786 1.00 60.22 O ATOM 606 CB VAL A 42 5.083 3.583 -15.554 1.00 3.04 C ATOM 607 CG1 VAL A 42 4.093 3.731 -16.708 1.00 41.04 C ATOM 608 CG2 VAL A 42 6.286 4.500 -15.749 1.00 13.44 C ATOM 0 H VAL A 42 6.205 3.407 -13.240 1.00 41.41 H new ATOM 0 HA VAL A 42 3.889 4.828 -14.282 1.00 54.33 H new ATOM 0 HB VAL A 42 5.441 2.553 -15.546 1.00 3.04 H new ATOM 0 HG11 VAL A 42 4.601 3.529 -17.651 1.00 41.04 H new ATOM 0 HG12 VAL A 42 3.274 3.023 -16.578 1.00 41.04 H new ATOM 0 HG13 VAL A 42 3.697 4.746 -16.719 1.00 41.04 H new ATOM 0 HG21 VAL A 42 6.756 4.285 -16.709 1.00 13.44 H new ATOM 0 HG22 VAL A 42 5.958 5.539 -15.730 1.00 13.44 H new ATOM 0 HG23 VAL A 42 7.005 4.332 -14.947 1.00 13.44 H new ATOM 618 N VAL A 43 2.120 3.107 -13.733 1.00 12.04 N ATOM 619 CA VAL A 43 1.127 2.129 -13.279 1.00 4.12 C ATOM 620 C VAL A 43 0.708 1.242 -14.444 1.00 0.32 C ATOM 621 O VAL A 43 0.354 0.078 -14.268 1.00 14.03 O ATOM 622 CB VAL A 43 -0.107 2.812 -12.635 1.00 51.33 C ATOM 623 CG1 VAL A 43 -0.871 3.640 -13.656 1.00 51.05 C ATOM 624 CG2 VAL A 43 -1.023 1.788 -11.971 1.00 73.33 C ATOM 0 H VAL A 43 1.753 4.042 -13.908 1.00 12.04 H new ATOM 0 HA VAL A 43 1.588 1.514 -12.507 1.00 4.12 H new ATOM 0 HB VAL A 43 0.258 3.486 -11.860 1.00 51.33 H new ATOM 0 HG11 VAL A 43 -1.731 4.107 -13.176 1.00 51.05 H new ATOM 0 HG12 VAL A 43 -0.217 4.413 -14.060 1.00 51.05 H new ATOM 0 HG13 VAL A 43 -1.213 2.995 -14.465 1.00 51.05 H new ATOM 0 HG21 VAL A 43 -1.879 2.298 -11.529 1.00 73.33 H new ATOM 0 HG22 VAL A 43 -1.372 1.074 -12.717 1.00 73.33 H new ATOM 0 HG23 VAL A 43 -0.474 1.259 -11.192 1.00 73.33 H new ATOM 634 N HIS A 44 0.758 1.816 -15.636 1.00 64.55 N ATOM 635 CA HIS A 44 0.544 1.089 -16.879 1.00 44.42 C ATOM 636 C HIS A 44 1.472 1.680 -17.929 1.00 73.35 C ATOM 637 O HIS A 44 1.356 2.861 -18.267 1.00 2.12 O ATOM 638 CB HIS A 44 -0.920 1.166 -17.339 1.00 33.41 C ATOM 639 CG HIS A 44 -1.868 0.358 -16.494 1.00 64.22 C ATOM 640 ND1 HIS A 44 -2.312 -0.896 -16.848 1.00 63.31 N ATOM 641 CD2 HIS A 44 -2.455 0.632 -15.301 1.00 24.33 C ATOM 642 CE1 HIS A 44 -3.124 -1.354 -15.917 1.00 61.35 C ATOM 643 NE2 HIS A 44 -3.229 -0.450 -14.964 1.00 12.24 N ATOM 0 H HIS A 44 0.950 2.809 -15.770 1.00 64.55 H new ATOM 0 HA HIS A 44 0.764 0.033 -16.726 1.00 44.42 H new ATOM 0 HB2 HIS A 44 -1.239 2.208 -17.330 1.00 33.41 H new ATOM 0 HB3 HIS A 44 -0.985 0.822 -18.371 1.00 33.41 H new ATOM 0 HD1 HIS A 44 -2.052 -1.394 -17.700 1.00 63.31 H new ATOM 0 HD2 HIS A 44 -2.335 1.536 -14.723 1.00 24.33 H new ATOM 0 HE1 HIS A 44 -3.622 -2.312 -15.932 1.00 61.35 H new ATOM 652 N GLY A 45 2.417 0.867 -18.397 1.00 42.11 N ATOM 653 CA GLY A 45 3.471 1.344 -19.279 1.00 12.53 C ATOM 654 C GLY A 45 2.959 1.893 -20.588 1.00 61.03 C ATOM 655 O GLY A 45 1.812 1.646 -20.967 1.00 13.13 O ATOM 0 H GLY A 45 2.471 -0.128 -18.177 1.00 42.11 H new ATOM 0 HA2 GLY A 45 4.039 2.120 -18.766 1.00 12.53 H new ATOM 0 HA3 GLY A 45 4.161 0.525 -19.483 1.00 12.53 H new ATOM 659 N GLU A 46 3.819 2.640 -21.279 1.00 70.20 N ATOM 660 CA GLU A 46 3.479 3.194 -22.578 1.00 12.32 C ATOM 661 C GLU A 46 3.194 2.063 -23.560 1.00 41.42 C ATOM 662 O GLU A 46 3.914 1.055 -23.592 1.00 12.04 O ATOM 663 CB GLU A 46 4.617 4.083 -23.104 1.00 10.22 C ATOM 664 CG GLU A 46 4.306 4.751 -24.438 1.00 43.31 C ATOM 665 CD GLU A 46 3.056 5.620 -24.379 1.00 74.34 C ATOM 666 OE1 GLU A 46 3.171 6.803 -23.994 1.00 62.12 O ATOM 667 OE2 GLU A 46 1.960 5.113 -24.704 1.00 5.12 O ATOM 0 H GLU A 46 4.758 2.873 -20.955 1.00 70.20 H new ATOM 0 HA GLU A 46 2.587 3.811 -22.474 1.00 12.32 H new ATOM 0 HB2 GLU A 46 4.836 4.853 -22.364 1.00 10.22 H new ATOM 0 HB3 GLU A 46 5.518 3.479 -23.212 1.00 10.22 H new ATOM 0 HG2 GLU A 46 5.156 5.363 -24.741 1.00 43.31 H new ATOM 0 HG3 GLU A 46 4.176 3.985 -25.203 1.00 43.31 H new ATOM 674 N ALA A 47 2.156 2.240 -24.354 1.00 23.10 N ATOM 675 CA ALA A 47 1.675 1.207 -25.254 1.00 63.51 C ATOM 676 C ALA A 47 1.586 1.739 -26.675 1.00 73.41 C ATOM 677 O ALA A 47 1.989 2.871 -26.952 1.00 62.32 O ATOM 678 CB ALA A 47 0.320 0.691 -24.781 1.00 61.02 C ATOM 0 H ALA A 47 1.620 3.107 -24.394 1.00 23.10 H new ATOM 0 HA ALA A 47 2.382 0.377 -25.248 1.00 63.51 H new ATOM 0 HB1 ALA A 47 -0.032 -0.083 -25.462 1.00 61.02 H new ATOM 0 HB2 ALA A 47 0.419 0.275 -23.779 1.00 61.02 H new ATOM 0 HB3 ALA A 47 -0.396 1.512 -24.764 1.00 61.02 H new ATOM 684 N ASP A 48 1.114 0.896 -27.585 1.00 43.44 N ATOM 685 CA ASP A 48 0.871 1.316 -28.960 1.00 51.31 C ATOM 686 C ASP A 48 -0.025 2.549 -28.987 1.00 41.22 C ATOM 687 O ASP A 48 -0.854 2.740 -28.091 1.00 41.42 O ATOM 688 CB ASP A 48 0.220 0.184 -29.764 1.00 34.15 C ATOM 689 CG ASP A 48 1.172 -0.968 -30.030 1.00 34.52 C ATOM 690 OD1 ASP A 48 1.556 -1.670 -29.068 1.00 44.10 O ATOM 691 OD2 ASP A 48 1.553 -1.171 -31.203 1.00 61.52 O ATOM 0 H ASP A 48 0.892 -0.082 -27.396 1.00 43.44 H new ATOM 0 HA ASP A 48 1.830 1.563 -29.415 1.00 51.31 H new ATOM 0 HB2 ASP A 48 -0.650 -0.187 -29.222 1.00 34.15 H new ATOM 0 HB3 ASP A 48 -0.140 0.579 -30.714 1.00 34.15 H new ATOM 696 N ARG A 49 0.135 3.367 -30.022 1.00 53.53 N ATOM 697 CA ARG A 49 -0.607 4.619 -30.146 1.00 35.31 C ATOM 698 C ARG A 49 -2.100 4.397 -29.898 1.00 63.41 C ATOM 699 O ARG A 49 -2.757 5.204 -29.248 1.00 64.05 O ATOM 700 CB ARG A 49 -0.387 5.238 -31.532 1.00 64.50 C ATOM 701 CG ARG A 49 -1.056 6.599 -31.712 1.00 25.32 C ATOM 702 CD ARG A 49 -0.765 7.198 -33.083 1.00 61.13 C ATOM 703 NE ARG A 49 0.673 7.348 -33.320 1.00 44.12 N ATOM 704 CZ ARG A 49 1.219 8.311 -34.066 1.00 64.24 C ATOM 705 NH1 ARG A 49 0.459 9.217 -34.669 1.00 24.55 N ATOM 706 NH2 ARG A 49 2.534 8.366 -34.214 1.00 74.33 N ATOM 0 H ARG A 49 0.777 3.184 -30.793 1.00 53.53 H new ATOM 0 HA ARG A 49 -0.233 5.309 -29.389 1.00 35.31 H new ATOM 0 HB2 ARG A 49 0.684 5.344 -31.707 1.00 64.50 H new ATOM 0 HB3 ARG A 49 -0.767 4.553 -32.290 1.00 64.50 H new ATOM 0 HG2 ARG A 49 -2.133 6.494 -31.583 1.00 25.32 H new ATOM 0 HG3 ARG A 49 -0.707 7.281 -30.936 1.00 25.32 H new ATOM 0 HD2 ARG A 49 -1.196 6.562 -33.856 1.00 61.13 H new ATOM 0 HD3 ARG A 49 -1.250 8.171 -33.164 1.00 61.13 H new ATOM 0 HE ARG A 49 1.300 6.671 -32.885 1.00 44.12 H new ATOM 0 HH11 ARG A 49 -0.555 9.183 -34.565 1.00 24.55 H new ATOM 0 HH12 ARG A 49 0.889 9.948 -35.236 1.00 24.55 H new ATOM 0 HH21 ARG A 49 3.128 7.673 -33.758 1.00 74.33 H new ATOM 0 HH22 ARG A 49 2.953 9.101 -34.784 1.00 74.33 H new ATOM 720 N ALA A 50 -2.621 3.287 -30.399 1.00 72.03 N ATOM 721 CA ALA A 50 -4.029 2.957 -30.226 1.00 51.03 C ATOM 722 C ALA A 50 -4.373 2.739 -28.751 1.00 12.03 C ATOM 723 O ALA A 50 -5.421 3.174 -28.284 1.00 12.24 O ATOM 724 CB ALA A 50 -4.387 1.725 -31.051 1.00 12.12 C ATOM 0 H ALA A 50 -2.089 2.598 -30.930 1.00 72.03 H new ATOM 0 HA ALA A 50 -4.621 3.801 -30.581 1.00 51.03 H new ATOM 0 HB1 ALA A 50 -5.442 1.489 -30.913 1.00 12.12 H new ATOM 0 HB2 ALA A 50 -4.195 1.925 -32.105 1.00 12.12 H new ATOM 0 HB3 ALA A 50 -3.780 0.880 -30.725 1.00 12.12 H new ATOM 730 N ALA A 51 -3.471 2.090 -28.018 1.00 52.32 N ATOM 731 CA ALA A 51 -3.714 1.726 -26.617 1.00 4.44 C ATOM 732 C ALA A 51 -3.578 2.933 -25.679 1.00 42.22 C ATOM 733 O ALA A 51 -4.255 3.011 -24.628 1.00 11.11 O ATOM 734 CB ALA A 51 -2.760 0.612 -26.206 1.00 13.05 C ATOM 0 H ALA A 51 -2.558 1.802 -28.371 1.00 52.32 H new ATOM 0 HA ALA A 51 -4.741 1.372 -26.531 1.00 4.44 H new ATOM 0 HB1 ALA A 51 -2.942 0.343 -25.165 1.00 13.05 H new ATOM 0 HB2 ALA A 51 -2.923 -0.259 -26.840 1.00 13.05 H new ATOM 0 HB3 ALA A 51 -1.731 0.954 -26.318 1.00 13.05 H new ATOM 740 N CYS A 52 -2.671 3.842 -26.032 1.00 32.44 N ATOM 741 CA CYS A 52 -2.526 5.102 -25.309 1.00 51.42 C ATOM 742 C CYS A 52 -3.691 6.044 -25.633 1.00 23.32 C ATOM 743 O CYS A 52 -4.247 6.689 -24.741 1.00 3.22 O ATOM 744 CB CYS A 52 -1.173 5.756 -25.617 1.00 61.32 C ATOM 745 SG CYS A 52 -0.828 5.987 -27.371 1.00 33.32 S ATOM 0 H CYS A 52 -2.026 3.729 -26.814 1.00 32.44 H new ATOM 0 HA CYS A 52 -2.553 4.892 -24.240 1.00 51.42 H new ATOM 0 HB2 CYS A 52 -1.133 6.726 -25.122 1.00 61.32 H new ATOM 0 HB3 CYS A 52 -0.382 5.144 -25.183 1.00 61.32 H new ATOM 0 HG CYS A 52 -1.923 5.826 -28.053 1.00 33.32 H new ATOM 751 N LEU A 53 -4.069 6.117 -26.913 1.00 43.35 N ATOM 752 CA LEU A 53 -5.239 6.895 -27.322 1.00 74.32 C ATOM 753 C LEU A 53 -6.509 6.275 -26.745 1.00 2.01 C ATOM 754 O LEU A 53 -7.499 6.966 -26.498 1.00 41.12 O ATOM 755 CB LEU A 53 -5.355 6.984 -28.855 1.00 44.01 C ATOM 756 CG LEU A 53 -4.232 7.756 -29.574 1.00 62.22 C ATOM 757 CD1 LEU A 53 -4.529 7.874 -31.068 1.00 70.12 C ATOM 758 CD2 LEU A 53 -4.031 9.137 -28.951 1.00 15.11 C ATOM 0 H LEU A 53 -3.584 5.649 -27.679 1.00 43.35 H new ATOM 0 HA LEU A 53 -5.115 7.906 -26.934 1.00 74.32 H new ATOM 0 HB2 LEU A 53 -5.387 5.971 -29.256 1.00 44.01 H new ATOM 0 HB3 LEU A 53 -6.307 7.454 -29.101 1.00 44.01 H new ATOM 0 HG LEU A 53 -3.306 7.195 -29.453 1.00 62.22 H new ATOM 0 HD11 LEU A 53 -3.724 8.422 -31.557 1.00 70.12 H new ATOM 0 HD12 LEU A 53 -4.606 6.878 -31.503 1.00 70.12 H new ATOM 0 HD13 LEU A 53 -5.469 8.406 -31.211 1.00 70.12 H new ATOM 0 HD21 LEU A 53 -3.233 9.661 -29.477 1.00 15.11 H new ATOM 0 HD22 LEU A 53 -4.955 9.710 -29.030 1.00 15.11 H new ATOM 0 HD23 LEU A 53 -3.762 9.027 -27.901 1.00 15.11 H new ATOM 770 N GLU A 54 -6.474 4.962 -26.536 1.00 54.41 N ATOM 771 CA GLU A 54 -7.595 4.256 -25.948 1.00 14.33 C ATOM 772 C GLU A 54 -7.657 4.530 -24.446 1.00 52.22 C ATOM 773 O GLU A 54 -8.743 4.580 -23.873 1.00 22.30 O ATOM 774 CB GLU A 54 -7.478 2.756 -26.225 1.00 0.25 C ATOM 775 CG GLU A 54 -8.780 1.988 -26.063 1.00 41.53 C ATOM 776 CD GLU A 54 -9.878 2.476 -26.991 1.00 73.12 C ATOM 777 OE1 GLU A 54 -9.680 2.446 -28.223 1.00 55.44 O ATOM 778 OE2 GLU A 54 -10.953 2.875 -26.497 1.00 65.32 O ATOM 0 H GLU A 54 -5.677 4.369 -26.768 1.00 54.41 H new ATOM 0 HA GLU A 54 -8.519 4.615 -26.401 1.00 14.33 H new ATOM 0 HB2 GLU A 54 -7.109 2.613 -27.241 1.00 0.25 H new ATOM 0 HB3 GLU A 54 -6.733 2.331 -25.553 1.00 0.25 H new ATOM 0 HG2 GLU A 54 -8.597 0.930 -26.251 1.00 41.53 H new ATOM 0 HG3 GLU A 54 -9.120 2.074 -25.031 1.00 41.53 H new ATOM 785 N TYR A 55 -6.485 4.708 -23.810 1.00 63.34 N ATOM 786 CA TYR A 55 -6.440 5.125 -22.398 1.00 53.30 C ATOM 787 C TYR A 55 -7.398 6.283 -22.100 1.00 12.43 C ATOM 788 O TYR A 55 -8.296 6.150 -21.264 1.00 25.40 O ATOM 789 CB TYR A 55 -5.015 5.541 -21.986 1.00 54.33 C ATOM 790 CG TYR A 55 -4.970 6.429 -20.747 1.00 33.53 C ATOM 791 CD1 TYR A 55 -5.461 5.986 -19.521 1.00 42.04 C ATOM 792 CD2 TYR A 55 -4.453 7.722 -20.812 1.00 54.33 C ATOM 793 CE1 TYR A 55 -5.443 6.803 -18.405 1.00 5.14 C ATOM 794 CE2 TYR A 55 -4.427 8.541 -19.699 1.00 14.43 C ATOM 795 CZ TYR A 55 -4.921 8.079 -18.499 1.00 71.24 C ATOM 796 OH TYR A 55 -4.905 8.901 -17.391 1.00 1.32 O ATOM 0 H TYR A 55 -5.571 4.572 -24.243 1.00 63.34 H new ATOM 0 HA TYR A 55 -6.754 4.257 -21.818 1.00 53.30 H new ATOM 0 HB2 TYR A 55 -4.423 4.644 -21.801 1.00 54.33 H new ATOM 0 HB3 TYR A 55 -4.545 6.067 -22.817 1.00 54.33 H new ATOM 0 HD1 TYR A 55 -5.863 4.987 -19.440 1.00 42.04 H new ATOM 0 HD2 TYR A 55 -4.065 8.091 -21.750 1.00 54.33 H new ATOM 0 HE1 TYR A 55 -5.835 6.445 -17.464 1.00 5.14 H new ATOM 0 HE2 TYR A 55 -4.021 9.539 -19.770 1.00 14.43 H new ATOM 0 HH TYR A 55 -4.503 9.763 -17.629 1.00 1.32 H new ATOM 806 N ILE A 56 -7.202 7.416 -22.769 1.00 72.14 N ATOM 807 CA ILE A 56 -7.971 8.622 -22.460 1.00 54.34 C ATOM 808 C ILE A 56 -9.478 8.364 -22.565 1.00 35.30 C ATOM 809 O ILE A 56 -10.255 8.815 -21.719 1.00 14.25 O ATOM 810 CB ILE A 56 -7.567 9.818 -23.368 1.00 50.34 C ATOM 811 CG1 ILE A 56 -8.421 11.060 -23.044 1.00 13.53 C ATOM 812 CG2 ILE A 56 -7.690 9.451 -24.844 1.00 54.41 C ATOM 813 CD1 ILE A 56 -8.035 12.293 -23.834 1.00 32.34 C ATOM 0 H ILE A 56 -6.524 7.526 -23.523 1.00 72.14 H new ATOM 0 HA ILE A 56 -7.735 8.888 -21.430 1.00 54.34 H new ATOM 0 HB ILE A 56 -6.523 10.056 -23.166 1.00 50.34 H new ATOM 0 HG12 ILE A 56 -9.468 10.829 -23.238 1.00 13.53 H new ATOM 0 HG13 ILE A 56 -8.335 11.280 -21.980 1.00 13.53 H new ATOM 0 HG21 ILE A 56 -7.402 10.305 -25.457 1.00 54.41 H new ATOM 0 HG22 ILE A 56 -7.035 8.608 -25.065 1.00 54.41 H new ATOM 0 HG23 ILE A 56 -8.721 9.177 -25.066 1.00 54.41 H new ATOM 0 HD11 ILE A 56 -8.681 13.124 -23.550 1.00 32.34 H new ATOM 0 HD12 ILE A 56 -6.997 12.551 -23.622 1.00 32.34 H new ATOM 0 HD13 ILE A 56 -8.149 12.093 -24.899 1.00 32.34 H new ATOM 825 N GLU A 57 -9.878 7.614 -23.587 1.00 31.32 N ATOM 826 CA GLU A 57 -11.287 7.307 -23.811 1.00 13.01 C ATOM 827 C GLU A 57 -11.787 6.283 -22.782 1.00 51.21 C ATOM 828 O GLU A 57 -12.958 6.295 -22.389 1.00 71.31 O ATOM 829 CB GLU A 57 -11.484 6.794 -25.243 1.00 52.35 C ATOM 830 CG GLU A 57 -12.946 6.650 -25.654 1.00 14.33 C ATOM 831 CD GLU A 57 -13.114 6.389 -27.142 1.00 72.01 C ATOM 832 OE1 GLU A 57 -12.808 7.294 -27.945 1.00 53.13 O ATOM 833 OE2 GLU A 57 -13.552 5.282 -27.519 1.00 43.21 O ATOM 0 H GLU A 57 -9.245 7.207 -24.275 1.00 31.32 H new ATOM 0 HA GLU A 57 -11.875 8.216 -23.685 1.00 13.01 H new ATOM 0 HB2 GLU A 57 -10.988 7.476 -25.934 1.00 52.35 H new ATOM 0 HB3 GLU A 57 -10.992 5.826 -25.342 1.00 52.35 H new ATOM 0 HG2 GLU A 57 -13.398 5.832 -25.093 1.00 14.33 H new ATOM 0 HG3 GLU A 57 -13.486 7.558 -25.385 1.00 14.33 H new ATOM 840 N GLU A 58 -10.879 5.412 -22.339 1.00 12.22 N ATOM 841 CA GLU A 58 -11.191 4.406 -21.326 1.00 60.15 C ATOM 842 C GLU A 58 -11.573 5.092 -20.013 1.00 33.10 C ATOM 843 O GLU A 58 -12.417 4.599 -19.261 1.00 31.32 O ATOM 844 CB GLU A 58 -9.982 3.476 -21.114 1.00 74.11 C ATOM 845 CG GLU A 58 -10.276 2.236 -20.275 1.00 63.14 C ATOM 846 CD GLU A 58 -11.279 1.303 -20.940 1.00 0.13 C ATOM 847 OE1 GLU A 58 -10.883 0.528 -21.836 1.00 52.44 O ATOM 848 OE2 GLU A 58 -12.473 1.344 -20.577 1.00 74.42 O ATOM 0 H GLU A 58 -9.915 5.385 -22.670 1.00 12.22 H new ATOM 0 HA GLU A 58 -12.035 3.806 -21.667 1.00 60.15 H new ATOM 0 HB2 GLU A 58 -9.608 3.160 -22.088 1.00 74.11 H new ATOM 0 HB3 GLU A 58 -9.184 4.043 -20.635 1.00 74.11 H new ATOM 0 HG2 GLU A 58 -9.347 1.695 -20.095 1.00 63.14 H new ATOM 0 HG3 GLU A 58 -10.660 2.543 -19.302 1.00 63.14 H new ATOM 855 N HIS A 59 -10.926 6.230 -19.751 1.00 11.51 N ATOM 856 CA HIS A 59 -11.229 7.085 -18.594 1.00 45.14 C ATOM 857 C HIS A 59 -10.781 6.451 -17.269 1.00 52.43 C ATOM 858 O HIS A 59 -11.060 6.990 -16.194 1.00 13.30 O ATOM 859 CB HIS A 59 -12.729 7.438 -18.558 1.00 40.10 C ATOM 860 CG HIS A 59 -13.107 8.417 -17.485 1.00 63.15 C ATOM 861 ND1 HIS A 59 -14.077 8.162 -16.543 1.00 32.20 N ATOM 862 CD2 HIS A 59 -12.638 9.659 -17.211 1.00 71.52 C ATOM 863 CE1 HIS A 59 -14.188 9.202 -15.738 1.00 40.20 C ATOM 864 NE2 HIS A 59 -13.326 10.122 -16.120 1.00 25.42 N ATOM 0 H HIS A 59 -10.172 6.589 -20.337 1.00 11.51 H new ATOM 0 HA HIS A 59 -10.657 8.005 -18.713 1.00 45.14 H new ATOM 0 HB2 HIS A 59 -13.017 7.848 -19.526 1.00 40.10 H new ATOM 0 HB3 HIS A 59 -13.303 6.522 -18.416 1.00 40.10 H new ATOM 0 HD2 HIS A 59 -11.866 10.186 -17.752 1.00 71.52 H new ATOM 0 HE1 HIS A 59 -14.871 9.285 -14.906 1.00 40.20 H new ATOM 0 HE2 HIS A 59 -13.192 11.031 -15.676 1.00 25.42 H new ATOM 873 N TRP A 60 -10.077 5.320 -17.357 1.00 72.13 N ATOM 874 CA TRP A 60 -9.485 4.666 -16.185 1.00 71.34 C ATOM 875 C TRP A 60 -10.559 4.140 -15.215 1.00 40.15 C ATOM 876 O TRP A 60 -11.166 4.908 -14.467 1.00 70.12 O ATOM 877 CB TRP A 60 -8.528 5.641 -15.469 1.00 31.04 C ATOM 878 CG TRP A 60 -7.858 5.070 -14.248 1.00 11.01 C ATOM 879 CD1 TRP A 60 -8.298 5.151 -12.956 1.00 44.10 C ATOM 880 CD2 TRP A 60 -6.623 4.347 -14.203 1.00 62.15 C ATOM 881 NE1 TRP A 60 -7.418 4.516 -12.117 1.00 64.53 N ATOM 882 CE2 TRP A 60 -6.382 4.017 -12.856 1.00 60.21 C ATOM 883 CE3 TRP A 60 -5.699 3.945 -15.169 1.00 74.23 C ATOM 884 CZ2 TRP A 60 -5.259 3.305 -12.451 1.00 64.01 C ATOM 885 CZ3 TRP A 60 -4.581 3.239 -14.765 1.00 24.12 C ATOM 886 CH2 TRP A 60 -4.371 2.924 -13.415 1.00 3.21 C ATOM 0 H TRP A 60 -9.901 4.833 -18.236 1.00 72.13 H new ATOM 0 HA TRP A 60 -8.920 3.801 -16.532 1.00 71.34 H new ATOM 0 HB2 TRP A 60 -7.760 5.961 -16.174 1.00 31.04 H new ATOM 0 HB3 TRP A 60 -9.086 6.532 -15.179 1.00 31.04 H new ATOM 0 HD1 TRP A 60 -9.206 5.643 -12.642 1.00 44.10 H new ATOM 0 HE1 TRP A 60 -7.520 4.430 -11.106 1.00 64.53 H new ATOM 0 HE3 TRP A 60 -5.854 4.181 -16.211 1.00 74.23 H new ATOM 0 HZ2 TRP A 60 -5.095 3.062 -11.412 1.00 64.01 H new ATOM 0 HZ3 TRP A 60 -3.857 2.925 -15.502 1.00 24.12 H new ATOM 0 HH2 TRP A 60 -3.489 2.369 -13.132 1.00 3.21 H new ATOM 897 N PRO A 61 -10.822 2.817 -15.235 1.00 53.15 N ATOM 898 CA PRO A 61 -11.726 2.172 -14.271 1.00 60.42 C ATOM 899 C PRO A 61 -11.035 1.925 -12.921 1.00 63.32 C ATOM 900 O PRO A 61 -10.047 2.585 -12.596 1.00 74.04 O ATOM 901 CB PRO A 61 -12.074 0.852 -14.967 1.00 23.13 C ATOM 902 CG PRO A 61 -10.856 0.526 -15.766 1.00 54.12 C ATOM 903 CD PRO A 61 -10.278 1.849 -16.212 1.00 12.01 C ATOM 0 HA PRO A 61 -12.598 2.780 -14.030 1.00 60.42 H new ATOM 0 HB2 PRO A 61 -12.297 0.068 -14.244 1.00 23.13 H new ATOM 0 HB3 PRO A 61 -12.952 0.957 -15.604 1.00 23.13 H new ATOM 0 HG2 PRO A 61 -10.136 -0.032 -15.168 1.00 54.12 H new ATOM 0 HG3 PRO A 61 -11.108 -0.098 -16.624 1.00 54.12 H new ATOM 0 HD2 PRO A 61 -9.188 1.835 -16.197 1.00 12.01 H new ATOM 0 HD3 PRO A 61 -10.580 2.095 -17.230 1.00 12.01 H new ATOM 911 N ASP A 62 -11.549 0.977 -12.142 1.00 32.11 N ATOM 912 CA ASP A 62 -10.964 0.635 -10.838 1.00 14.31 C ATOM 913 C ASP A 62 -9.889 -0.444 -10.997 1.00 34.34 C ATOM 914 O ASP A 62 -9.675 -1.269 -10.105 1.00 74.44 O ATOM 915 CB ASP A 62 -12.063 0.160 -9.872 1.00 44.51 C ATOM 916 CG ASP A 62 -12.723 -1.138 -10.316 1.00 24.42 C ATOM 917 OD1 ASP A 62 -13.411 -1.130 -11.360 1.00 61.41 O ATOM 918 OD2 ASP A 62 -12.560 -2.169 -9.626 1.00 14.01 O ATOM 0 H ASP A 62 -12.372 0.427 -12.388 1.00 32.11 H new ATOM 0 HA ASP A 62 -10.495 1.527 -10.423 1.00 14.31 H new ATOM 0 HB2 ASP A 62 -11.633 0.022 -8.880 1.00 44.51 H new ATOM 0 HB3 ASP A 62 -12.823 0.936 -9.784 1.00 44.51 H new ATOM 923 N ILE A 63 -9.189 -0.401 -12.127 1.00 0.00 N ATOM 924 CA ILE A 63 -8.180 -1.399 -12.455 1.00 44.50 C ATOM 925 C ILE A 63 -6.969 -1.291 -11.517 1.00 32.32 C ATOM 926 O ILE A 63 -6.400 -0.214 -11.334 1.00 13.12 O ATOM 927 CB ILE A 63 -7.732 -1.271 -13.936 1.00 41.40 C ATOM 928 CG1 ILE A 63 -6.714 -2.369 -14.297 1.00 23.02 C ATOM 929 CG2 ILE A 63 -7.161 0.120 -14.220 1.00 3.52 C ATOM 930 CD1 ILE A 63 -6.377 -2.426 -15.773 1.00 43.03 C ATOM 0 H ILE A 63 -9.305 0.323 -12.836 1.00 0.00 H new ATOM 0 HA ILE A 63 -8.631 -2.382 -12.317 1.00 44.50 H new ATOM 0 HB ILE A 63 -8.611 -1.405 -14.566 1.00 41.40 H new ATOM 0 HG12 ILE A 63 -5.798 -2.203 -13.730 1.00 23.02 H new ATOM 0 HG13 ILE A 63 -7.110 -3.336 -13.986 1.00 23.02 H new ATOM 0 HG21 ILE A 63 -6.855 0.182 -15.264 1.00 3.52 H new ATOM 0 HG22 ILE A 63 -7.923 0.874 -14.020 1.00 3.52 H new ATOM 0 HG23 ILE A 63 -6.298 0.297 -13.578 1.00 3.52 H new ATOM 0 HD11 ILE A 63 -5.655 -3.223 -15.951 1.00 43.03 H new ATOM 0 HD12 ILE A 63 -7.283 -2.623 -16.346 1.00 43.03 H new ATOM 0 HD13 ILE A 63 -5.950 -1.473 -16.086 1.00 43.03 H new ATOM 942 N ARG A 64 -6.607 -2.423 -10.914 1.00 63.13 N ATOM 943 CA ARG A 64 -5.491 -2.494 -9.969 1.00 42.30 C ATOM 944 C ARG A 64 -4.174 -2.021 -10.602 1.00 24.20 C ATOM 945 O ARG A 64 -4.011 -2.060 -11.825 1.00 71.42 O ATOM 946 CB ARG A 64 -5.320 -3.930 -9.430 1.00 5.01 C ATOM 947 CG ARG A 64 -5.151 -5.010 -10.504 1.00 72.23 C ATOM 948 CD ARG A 64 -6.497 -5.509 -11.026 1.00 23.51 C ATOM 949 NE ARG A 64 -7.334 -6.025 -9.934 1.00 24.12 N ATOM 950 CZ ARG A 64 -8.629 -5.742 -9.766 1.00 51.34 C ATOM 951 NH1 ARG A 64 -9.278 -4.991 -10.650 1.00 21.41 N ATOM 952 NH2 ARG A 64 -9.276 -6.231 -8.717 1.00 1.45 N ATOM 0 H ARG A 64 -7.077 -3.315 -11.066 1.00 63.13 H new ATOM 0 HA ARG A 64 -5.731 -1.825 -9.143 1.00 42.30 H new ATOM 0 HB2 ARG A 64 -4.451 -3.954 -8.772 1.00 5.01 H new ATOM 0 HB3 ARG A 64 -6.188 -4.179 -8.820 1.00 5.01 H new ATOM 0 HG2 ARG A 64 -4.566 -4.610 -11.332 1.00 72.23 H new ATOM 0 HG3 ARG A 64 -4.588 -5.847 -10.091 1.00 72.23 H new ATOM 0 HD2 ARG A 64 -7.017 -4.696 -11.533 1.00 23.51 H new ATOM 0 HD3 ARG A 64 -6.335 -6.294 -11.765 1.00 23.51 H new ATOM 0 HE ARG A 64 -6.894 -6.645 -9.254 1.00 24.12 H new ATOM 0 HH11 ARG A 64 -8.787 -4.625 -11.466 1.00 21.41 H new ATOM 0 HH12 ARG A 64 -10.267 -4.781 -10.512 1.00 21.41 H new ATOM 0 HH21 ARG A 64 -8.785 -6.820 -8.044 1.00 1.45 H new ATOM 0 HH22 ARG A 64 -10.265 -6.019 -8.583 1.00 1.45 H new ATOM 966 N PRO A 65 -3.215 -1.566 -9.764 1.00 13.42 N ATOM 967 CA PRO A 65 -1.892 -1.128 -10.233 1.00 21.15 C ATOM 968 C PRO A 65 -1.041 -2.292 -10.752 1.00 52.11 C ATOM 969 O PRO A 65 -0.001 -2.086 -11.380 1.00 62.12 O ATOM 970 CB PRO A 65 -1.261 -0.495 -8.981 1.00 31.52 C ATOM 971 CG PRO A 65 -1.942 -1.167 -7.838 1.00 32.30 C ATOM 972 CD PRO A 65 -3.352 -1.422 -8.296 1.00 31.11 C ATOM 0 HA PRO A 65 -1.962 -0.442 -11.077 1.00 21.15 H new ATOM 0 HB2 PRO A 65 -0.184 -0.660 -8.953 1.00 31.52 H new ATOM 0 HB3 PRO A 65 -1.419 0.583 -8.959 1.00 31.52 H new ATOM 0 HG2 PRO A 65 -1.441 -2.099 -7.577 1.00 32.30 H new ATOM 0 HG3 PRO A 65 -1.927 -0.537 -6.949 1.00 32.30 H new ATOM 0 HD2 PRO A 65 -3.766 -2.322 -7.841 1.00 31.11 H new ATOM 0 HD3 PRO A 65 -4.015 -0.598 -8.033 1.00 31.11 H new ATOM 980 N LYS A 66 -1.498 -3.516 -10.482 1.00 32.35 N ATOM 981 CA LYS A 66 -0.822 -4.718 -10.961 1.00 12.54 C ATOM 982 C LYS A 66 -0.820 -4.738 -12.492 1.00 64.54 C ATOM 983 O LYS A 66 -1.848 -5.002 -13.124 1.00 64.34 O ATOM 984 CB LYS A 66 -1.496 -5.989 -10.401 1.00 13.42 C ATOM 985 CG LYS A 66 -1.133 -6.317 -8.945 1.00 20.12 C ATOM 986 CD LYS A 66 -1.590 -5.245 -7.956 1.00 14.20 C ATOM 987 CE LYS A 66 -1.258 -5.635 -6.516 1.00 34.20 C ATOM 988 NZ LYS A 66 -1.643 -4.577 -5.539 1.00 63.22 N ATOM 0 H LYS A 66 -2.337 -3.699 -9.932 1.00 32.35 H new ATOM 0 HA LYS A 66 0.209 -4.703 -10.606 1.00 12.54 H new ATOM 0 HB2 LYS A 66 -2.577 -5.873 -10.475 1.00 13.42 H new ATOM 0 HB3 LYS A 66 -1.222 -6.836 -11.030 1.00 13.42 H new ATOM 0 HG2 LYS A 66 -1.583 -7.271 -8.671 1.00 20.12 H new ATOM 0 HG3 LYS A 66 -0.053 -6.440 -8.865 1.00 20.12 H new ATOM 0 HD2 LYS A 66 -1.110 -4.297 -8.197 1.00 14.20 H new ATOM 0 HD3 LYS A 66 -2.665 -5.092 -8.054 1.00 14.20 H new ATOM 0 HE2 LYS A 66 -1.773 -6.562 -6.265 1.00 34.20 H new ATOM 0 HE3 LYS A 66 -0.189 -5.832 -6.433 1.00 34.20 H new ATOM 0 HZ1 LYS A 66 -1.398 -4.887 -4.577 1.00 63.22 H new ATOM 0 HZ2 LYS A 66 -1.133 -3.698 -5.760 1.00 63.22 H new ATOM 0 HZ3 LYS A 66 -2.667 -4.406 -5.598 1.00 63.22 H new ATOM 1002 N SER A 67 0.332 -4.421 -13.073 1.00 62.31 N ATOM 1003 CA SER A 67 0.493 -4.357 -14.519 1.00 54.23 C ATOM 1004 C SER A 67 1.953 -4.604 -14.893 1.00 53.41 C ATOM 1005 O SER A 67 2.277 -5.579 -15.574 1.00 22.22 O ATOM 1006 CB SER A 67 0.024 -2.985 -15.038 1.00 60.21 C ATOM 1007 OG SER A 67 0.253 -2.835 -16.430 1.00 72.44 O ATOM 0 H SER A 67 1.181 -4.201 -12.553 1.00 62.31 H new ATOM 0 HA SER A 67 -0.118 -5.131 -14.983 1.00 54.23 H new ATOM 0 HB2 SER A 67 -1.039 -2.863 -14.831 1.00 60.21 H new ATOM 0 HB3 SER A 67 0.546 -2.195 -14.498 1.00 60.21 H new ATOM 0 HG SER A 67 -0.437 -2.254 -16.814 1.00 72.44 H new ATOM 1013 N LEU A 68 2.832 -3.723 -14.418 1.00 64.11 N ATOM 1014 CA LEU A 68 4.263 -3.812 -14.710 1.00 43.11 C ATOM 1015 C LEU A 68 5.023 -4.365 -13.509 1.00 71.30 C ATOM 1016 O LEU A 68 4.419 -4.935 -12.596 1.00 53.54 O ATOM 1017 CB LEU A 68 4.816 -2.429 -15.079 1.00 3.52 C ATOM 1018 CG LEU A 68 4.224 -1.797 -16.345 1.00 74.14 C ATOM 1019 CD1 LEU A 68 4.896 -0.459 -16.636 1.00 65.05 C ATOM 1020 CD2 LEU A 68 4.352 -2.740 -17.543 1.00 63.42 C ATOM 0 H LEU A 68 2.576 -2.934 -13.825 1.00 64.11 H new ATOM 0 HA LEU A 68 4.398 -4.489 -15.553 1.00 43.11 H new ATOM 0 HB2 LEU A 68 4.643 -1.753 -14.242 1.00 3.52 H new ATOM 0 HB3 LEU A 68 5.896 -2.511 -15.205 1.00 3.52 H new ATOM 0 HG LEU A 68 3.162 -1.621 -16.172 1.00 74.14 H new ATOM 0 HD11 LEU A 68 4.465 -0.024 -17.537 1.00 65.05 H new ATOM 0 HD12 LEU A 68 4.739 0.217 -15.796 1.00 65.05 H new ATOM 0 HD13 LEU A 68 5.965 -0.613 -16.783 1.00 65.05 H new ATOM 0 HD21 LEU A 68 3.924 -2.266 -18.426 1.00 63.42 H new ATOM 0 HD22 LEU A 68 5.405 -2.959 -17.723 1.00 63.42 H new ATOM 0 HD23 LEU A 68 3.819 -3.667 -17.335 1.00 63.42 H new ATOM 1032 N ARG A 69 6.349 -4.185 -13.525 1.00 72.54 N ATOM 1033 CA ARG A 69 7.228 -4.634 -12.443 1.00 51.11 C ATOM 1034 C ARG A 69 7.337 -6.158 -12.471 1.00 31.31 C ATOM 1035 O ARG A 69 7.166 -6.834 -11.455 1.00 25.43 O ATOM 1036 CB ARG A 69 6.719 -4.147 -11.070 1.00 23.24 C ATOM 1037 CG ARG A 69 7.701 -4.384 -9.917 1.00 3.32 C ATOM 1038 CD ARG A 69 6.994 -4.898 -8.668 1.00 63.15 C ATOM 1039 NE ARG A 69 6.382 -6.212 -8.894 1.00 63.40 N ATOM 1040 CZ ARG A 69 5.900 -6.996 -7.929 1.00 21.44 C ATOM 1041 NH1 ARG A 69 5.933 -6.595 -6.664 1.00 44.15 N ATOM 1042 NH2 ARG A 69 5.382 -8.180 -8.233 1.00 11.13 N ATOM 0 H ARG A 69 6.841 -3.723 -14.290 1.00 72.54 H new ATOM 0 HA ARG A 69 8.217 -4.202 -12.596 1.00 51.11 H new ATOM 0 HB2 ARG A 69 6.500 -3.081 -11.133 1.00 23.24 H new ATOM 0 HB3 ARG A 69 5.780 -4.652 -10.843 1.00 23.24 H new ATOM 0 HG2 ARG A 69 8.459 -5.103 -10.227 1.00 3.32 H new ATOM 0 HG3 ARG A 69 8.220 -3.454 -9.684 1.00 3.32 H new ATOM 0 HD2 ARG A 69 7.708 -4.965 -7.847 1.00 63.15 H new ATOM 0 HD3 ARG A 69 6.226 -4.186 -8.365 1.00 63.15 H new ATOM 0 HE ARG A 69 6.321 -6.549 -9.855 1.00 63.40 H new ATOM 0 HH11 ARG A 69 6.328 -5.685 -6.428 1.00 44.15 H new ATOM 0 HH12 ARG A 69 5.563 -7.197 -5.928 1.00 44.15 H new ATOM 0 HH21 ARG A 69 5.353 -8.490 -9.204 1.00 11.13 H new ATOM 0 HH22 ARG A 69 5.013 -8.780 -7.495 1.00 11.13 H new ATOM 1056 N ASP A 70 7.619 -6.689 -13.650 1.00 3.11 N ATOM 1057 CA ASP A 70 7.733 -8.130 -13.835 1.00 55.45 C ATOM 1058 C ASP A 70 9.110 -8.619 -13.378 1.00 61.12 C ATOM 1059 O ASP A 70 9.918 -7.844 -12.859 1.00 62.15 O ATOM 1060 CB ASP A 70 7.485 -8.502 -15.303 1.00 35.03 C ATOM 1061 CG ASP A 70 8.650 -8.139 -16.206 1.00 22.05 C ATOM 1062 OD1 ASP A 70 8.909 -6.932 -16.407 1.00 32.01 O ATOM 1063 OD2 ASP A 70 9.323 -9.065 -16.701 1.00 72.12 O ATOM 0 H ASP A 70 7.774 -6.143 -14.497 1.00 3.11 H new ATOM 0 HA ASP A 70 6.975 -8.621 -13.225 1.00 55.45 H new ATOM 0 HB2 ASP A 70 7.295 -9.573 -15.375 1.00 35.03 H new ATOM 0 HB3 ASP A 70 6.587 -7.995 -15.655 1.00 35.03 H new ATOM 1068 N LYS A 71 9.377 -9.902 -13.587 1.00 32.23 N ATOM 1069 CA LYS A 71 10.591 -10.538 -13.075 1.00 5.13 C ATOM 1070 C LYS A 71 11.719 -10.460 -14.107 1.00 53.24 C ATOM 1071 O LYS A 71 12.897 -10.404 -13.747 1.00 70.21 O ATOM 1072 CB LYS A 71 10.274 -11.999 -12.691 1.00 1.23 C ATOM 1073 CG LYS A 71 11.385 -12.742 -11.935 1.00 12.31 C ATOM 1074 CD LYS A 71 12.380 -13.420 -12.876 1.00 64.40 C ATOM 1075 CE LYS A 71 13.377 -14.297 -12.122 1.00 71.42 C ATOM 1076 NZ LYS A 71 14.279 -13.500 -11.252 1.00 55.15 N ATOM 0 H LYS A 71 8.766 -10.529 -14.111 1.00 32.23 H new ATOM 0 HA LYS A 71 10.933 -10.009 -12.185 1.00 5.13 H new ATOM 0 HB2 LYS A 71 9.373 -12.007 -12.077 1.00 1.23 H new ATOM 0 HB3 LYS A 71 10.045 -12.554 -13.601 1.00 1.23 H new ATOM 0 HG2 LYS A 71 11.917 -12.039 -11.294 1.00 12.31 H new ATOM 0 HG3 LYS A 71 10.938 -13.492 -11.283 1.00 12.31 H new ATOM 0 HD2 LYS A 71 11.837 -14.028 -13.600 1.00 64.40 H new ATOM 0 HD3 LYS A 71 12.921 -12.660 -13.440 1.00 64.40 H new ATOM 0 HE2 LYS A 71 12.834 -15.021 -11.514 1.00 71.42 H new ATOM 0 HE3 LYS A 71 13.973 -14.864 -12.837 1.00 71.42 H new ATOM 0 HZ1 LYS A 71 14.938 -14.136 -10.760 1.00 55.15 H new ATOM 0 HZ2 LYS A 71 14.817 -12.827 -11.834 1.00 55.15 H new ATOM 0 HZ3 LYS A 71 13.714 -12.978 -10.552 1.00 55.15 H new ATOM 1090 N LEU A 72 11.349 -10.420 -15.384 1.00 31.23 N ATOM 1091 CA LEU A 72 12.322 -10.425 -16.476 1.00 75.41 C ATOM 1092 C LEU A 72 12.897 -9.022 -16.685 1.00 62.01 C ATOM 1093 O LEU A 72 14.118 -8.834 -16.680 1.00 24.31 O ATOM 1094 CB LEU A 72 11.654 -10.932 -17.765 1.00 44.43 C ATOM 1095 CG LEU A 72 12.576 -11.065 -18.988 1.00 35.43 C ATOM 1096 CD1 LEU A 72 13.644 -12.131 -18.757 1.00 41.32 C ATOM 1097 CD2 LEU A 72 11.765 -11.378 -20.243 1.00 22.35 C ATOM 0 H LEU A 72 10.377 -10.384 -15.691 1.00 31.23 H new ATOM 0 HA LEU A 72 13.143 -11.094 -16.217 1.00 75.41 H new ATOM 0 HB2 LEU A 72 11.208 -11.906 -17.562 1.00 44.43 H new ATOM 0 HB3 LEU A 72 10.839 -10.255 -18.020 1.00 44.43 H new ATOM 0 HG LEU A 72 13.080 -10.110 -19.134 1.00 35.43 H new ATOM 0 HD11 LEU A 72 14.282 -12.204 -19.638 1.00 41.32 H new ATOM 0 HD12 LEU A 72 14.249 -11.858 -17.892 1.00 41.32 H new ATOM 0 HD13 LEU A 72 13.165 -13.093 -18.576 1.00 41.32 H new ATOM 0 HD21 LEU A 72 12.436 -11.468 -21.097 1.00 22.35 H new ATOM 0 HD22 LEU A 72 11.227 -12.316 -20.104 1.00 22.35 H new ATOM 0 HD23 LEU A 72 11.052 -10.574 -20.425 1.00 22.35 H new ATOM 1109 N ALA A 73 12.005 -8.050 -16.891 1.00 21.05 N ATOM 1110 CA ALA A 73 12.377 -6.637 -17.031 1.00 32.42 C ATOM 1111 C ALA A 73 13.408 -6.419 -18.141 1.00 24.44 C ATOM 1112 O ALA A 73 14.071 -5.377 -18.193 1.00 3.22 O ATOM 1113 CB ALA A 73 12.899 -6.096 -15.701 1.00 13.24 C ATOM 0 H ALA A 73 11.002 -8.219 -16.966 1.00 21.05 H new ATOM 0 HA ALA A 73 11.479 -6.088 -17.315 1.00 32.42 H new ATOM 0 HB1 ALA A 73 13.172 -5.047 -15.817 1.00 13.24 H new ATOM 0 HB2 ALA A 73 12.123 -6.187 -14.941 1.00 13.24 H new ATOM 0 HB3 ALA A 73 13.775 -6.667 -15.395 1.00 13.24 H new ATOM 1119 N THR A 74 13.527 -7.388 -19.041 1.00 10.11 N ATOM 1120 CA THR A 74 14.510 -7.319 -20.111 1.00 74.24 C ATOM 1121 C THR A 74 13.932 -6.609 -21.336 1.00 61.13 C ATOM 1122 O THR A 74 13.379 -7.240 -22.241 1.00 15.44 O ATOM 1123 CB THR A 74 15.019 -8.729 -20.488 1.00 41.53 C ATOM 1124 OG1 THR A 74 15.518 -9.387 -19.311 1.00 14.22 O ATOM 1125 CG2 THR A 74 16.122 -8.664 -21.543 1.00 11.04 C ATOM 0 H THR A 74 12.953 -8.231 -19.049 1.00 10.11 H new ATOM 0 HA THR A 74 15.359 -6.739 -19.749 1.00 74.24 H new ATOM 0 HB THR A 74 14.184 -9.290 -20.908 1.00 41.53 H new ATOM 0 HG1 THR A 74 14.934 -9.185 -18.551 1.00 14.22 H new ATOM 0 HG21 THR A 74 16.455 -9.674 -21.783 1.00 11.04 H new ATOM 0 HG22 THR A 74 15.737 -8.185 -22.443 1.00 11.04 H new ATOM 0 HG23 THR A 74 16.962 -8.087 -21.156 1.00 11.04 H new ATOM 1133 N GLY A 75 14.021 -5.286 -21.314 1.00 52.32 N ATOM 1134 CA GLY A 75 13.586 -4.462 -22.426 1.00 72.52 C ATOM 1135 C GLY A 75 14.264 -3.111 -22.374 1.00 42.43 C ATOM 1136 O GLY A 75 13.901 -2.261 -21.554 1.00 43.23 O ATOM 0 H GLY A 75 14.396 -4.758 -20.526 1.00 52.32 H new ATOM 0 HA2 GLY A 75 13.820 -4.958 -23.368 1.00 72.52 H new ATOM 0 HA3 GLY A 75 12.504 -4.335 -22.392 1.00 72.52 H new ATOM 1140 N ARG A 76 15.264 -2.913 -23.227 1.00 35.04 N ATOM 1141 CA ARG A 76 16.095 -1.716 -23.167 1.00 4.50 C ATOM 1142 C ARG A 76 16.814 -1.505 -24.495 1.00 12.31 C ATOM 1143 O ARG A 76 17.467 -2.420 -25.005 1.00 73.20 O ATOM 1144 CB ARG A 76 17.117 -1.862 -22.027 1.00 60.21 C ATOM 1145 CG ARG A 76 17.882 -0.587 -21.699 1.00 70.14 C ATOM 1146 CD ARG A 76 18.918 -0.822 -20.603 1.00 54.54 C ATOM 1147 NE ARG A 76 18.345 -1.503 -19.433 1.00 2.04 N ATOM 1148 CZ ARG A 76 18.896 -1.504 -18.216 1.00 41.13 C ATOM 1149 NH1 ARG A 76 19.989 -0.789 -17.968 1.00 34.14 N ATOM 1150 NH2 ARG A 76 18.339 -2.213 -17.240 1.00 60.43 N ATOM 0 H ARG A 76 15.518 -3.566 -23.968 1.00 35.04 H new ATOM 0 HA ARG A 76 15.463 -0.849 -22.976 1.00 4.50 H new ATOM 0 HB2 ARG A 76 16.597 -2.200 -21.131 1.00 60.21 H new ATOM 0 HB3 ARG A 76 17.831 -2.641 -22.294 1.00 60.21 H new ATOM 0 HG2 ARG A 76 18.378 -0.218 -22.597 1.00 70.14 H new ATOM 0 HG3 ARG A 76 17.183 0.186 -21.380 1.00 70.14 H new ATOM 0 HD2 ARG A 76 19.738 -1.418 -21.003 1.00 54.54 H new ATOM 0 HD3 ARG A 76 19.340 0.134 -20.294 1.00 54.54 H new ATOM 0 HE ARG A 76 17.468 -2.009 -19.559 1.00 2.04 H new ATOM 0 HH11 ARG A 76 20.414 -0.233 -18.710 1.00 34.14 H new ATOM 0 HH12 ARG A 76 20.402 -0.796 -17.036 1.00 34.14 H new ATOM 0 HH21 ARG A 76 17.494 -2.754 -17.421 1.00 60.43 H new ATOM 0 HH22 ARG A 76 18.757 -2.216 -16.310 1.00 60.43 H new ATOM 1164 N GLY A 77 16.685 -0.305 -25.054 1.00 43.11 N ATOM 1165 CA GLY A 77 17.374 0.033 -26.278 1.00 54.42 C ATOM 1166 C GLY A 77 18.608 0.861 -26.007 1.00 15.24 C ATOM 1167 O GLY A 77 18.987 1.067 -24.849 1.00 61.11 O ATOM 0 H GLY A 77 16.108 0.444 -24.672 1.00 43.11 H new ATOM 0 HA2 GLY A 77 17.655 -0.880 -26.803 1.00 54.42 H new ATOM 0 HA3 GLY A 77 16.702 0.584 -26.935 1.00 54.42 H new ATOM 1171 N PHE A 78 19.227 1.343 -27.069 1.00 22.23 N ATOM 1172 CA PHE A 78 20.444 2.124 -26.971 1.00 73.44 C ATOM 1173 C PHE A 78 20.601 3.023 -28.193 1.00 12.01 C ATOM 1174 O PHE A 78 19.984 2.781 -29.233 1.00 2.23 O ATOM 1175 CB PHE A 78 21.654 1.192 -26.849 1.00 60.31 C ATOM 1176 CG PHE A 78 21.850 0.267 -28.030 1.00 23.21 C ATOM 1177 CD1 PHE A 78 21.159 -0.936 -28.113 1.00 23.21 C ATOM 1178 CD2 PHE A 78 22.728 0.598 -29.056 1.00 25.02 C ATOM 1179 CE1 PHE A 78 21.335 -1.781 -29.191 1.00 21.11 C ATOM 1180 CE2 PHE A 78 22.907 -0.247 -30.136 1.00 31.41 C ATOM 1181 CZ PHE A 78 22.211 -1.438 -30.202 1.00 42.13 C ATOM 0 H PHE A 78 18.899 1.203 -28.025 1.00 22.23 H new ATOM 0 HA PHE A 78 20.384 2.752 -26.082 1.00 73.44 H new ATOM 0 HB2 PHE A 78 22.552 1.797 -26.723 1.00 60.31 H new ATOM 0 HB3 PHE A 78 21.545 0.591 -25.946 1.00 60.31 H new ATOM 0 HD1 PHE A 78 20.476 -1.214 -27.324 1.00 23.21 H new ATOM 0 HD2 PHE A 78 23.277 1.527 -29.009 1.00 25.02 H new ATOM 0 HE1 PHE A 78 20.787 -2.710 -29.243 1.00 21.11 H new ATOM 0 HE2 PHE A 78 23.590 0.024 -30.927 1.00 31.41 H new ATOM 0 HZ PHE A 78 22.352 -2.100 -31.043 1.00 42.13 H new ATOM 1191 N ASP A 79 21.431 4.050 -28.058 1.00 52.44 N ATOM 1192 CA ASP A 79 21.739 4.966 -29.146 1.00 4.14 C ATOM 1193 C ASP A 79 23.005 5.739 -28.798 1.00 34.43 C ATOM 1194 O ASP A 79 23.050 6.471 -27.813 1.00 22.44 O ATOM 1195 CB ASP A 79 20.563 5.921 -29.439 1.00 50.33 C ATOM 1196 CG ASP A 79 20.186 6.818 -28.266 1.00 31.15 C ATOM 1197 OD1 ASP A 79 19.448 6.357 -27.367 1.00 74.11 O ATOM 1198 OD2 ASP A 79 20.598 7.999 -28.253 1.00 63.52 O ATOM 0 H ASP A 79 21.911 4.271 -27.186 1.00 52.44 H new ATOM 0 HA ASP A 79 21.905 4.390 -30.057 1.00 4.14 H new ATOM 0 HB2 ASP A 79 20.821 6.547 -30.293 1.00 50.33 H new ATOM 0 HB3 ASP A 79 19.693 5.331 -29.727 1.00 50.33 H new ATOM 1203 N GLN A 80 24.048 5.525 -29.582 1.00 32.33 N ATOM 1204 CA GLN A 80 25.340 6.151 -29.346 1.00 51.35 C ATOM 1205 C GLN A 80 26.043 6.370 -30.684 1.00 60.12 C ATOM 1206 O GLN A 80 26.494 5.380 -31.291 1.00 14.05 O ATOM 1207 CB GLN A 80 26.181 5.269 -28.398 1.00 42.55 C ATOM 1208 CG GLN A 80 27.466 5.918 -27.872 1.00 4.25 C ATOM 1209 CD GLN A 80 28.623 5.885 -28.858 1.00 22.13 C ATOM 1210 OE1 GLN A 80 28.768 6.936 -29.650 1.00 60.13 O flip ATOM 1211 NE2 GLN A 80 29.392 4.921 -28.892 1.00 63.52 N flip ATOM 1212 OXT GLN A 80 26.131 7.534 -31.126 1.00 0.00 O ATOM 0 H GLN A 80 24.024 4.914 -30.398 1.00 32.33 H new ATOM 0 HA GLN A 80 25.208 7.121 -28.866 1.00 51.35 H new ATOM 0 HB2 GLN A 80 25.562 4.985 -27.547 1.00 42.55 H new ATOM 0 HB3 GLN A 80 26.445 4.350 -28.921 1.00 42.55 H new ATOM 0 HG2 GLN A 80 27.256 6.955 -27.608 1.00 4.25 H new ATOM 0 HG3 GLN A 80 27.768 5.411 -26.956 1.00 4.25 H new ATOM 0 HE21 GLN A 80 29.246 4.130 -28.265 1.00 63.52 H new ATOM 0 HE22 GLN A 80 30.174 4.915 -29.547 1.00 63.52 H new TER 1221 GLN A 80