USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 619 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 8 LYS NZ :NH3+ 165:sc= 0.831 (180deg=0.68) USER MOD Set 1.2: A 70 THR OG1 : rot 180:sc= -0.418 USER MOD Set 2.1: A 49 TYR OH : rot 180:sc= 0.0143 USER MOD Set 2.2: A 64 ASN : amide:sc= -0.281 X(o=-0.25,f=0.19) USER MOD Set 2.3: A 66 THR OG1 : rot 180:sc= 0.0186 USER MOD Set 3.1: A 58 THR OG1 : rot 180:sc= -0.0639 USER MOD Set 3.2: A 63 TYR OH : rot 80:sc= 0.458 USER MOD Single : A 4 SER OG : rot 180:sc= -0.0183 USER MOD Single : A 11 THR OG1 : rot -56:sc= 0.239 USER MOD Single : A 12 THR OG1 : rot 68:sc= -0.191 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0491 USER MOD Single : A 31 MET CE :methyl -154:sc= -0.0161 (180deg=-0.865) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -153:sc= 0.249 (180deg=0.0775) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot -30:sc= -0.2 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0.03) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0496) USER MOD Single : A 75 THR OG1 : rot 29:sc= 0.236 USER MOD ----------------------------------------------------------------- ATOM 28 N SER A 4 -3.020 -3.131 -1.793 1.00 0.00 N ATOM 29 CA SER A 4 -3.951 -1.997 -1.782 1.00 0.00 C ATOM 30 C SER A 4 -3.453 -0.891 -2.732 1.00 0.00 C ATOM 31 O SER A 4 -2.356 -0.342 -2.556 1.00 0.00 O ATOM 32 CB SER A 4 -4.106 -1.444 -0.350 1.00 0.00 C ATOM 33 OG SER A 4 -4.582 -2.437 0.538 1.00 0.00 O ATOM 0 HA SER A 4 -4.926 -2.342 -2.128 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.145 -1.069 0.003 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.795 -0.599 -0.357 1.00 0.00 H new ATOM 0 HG SER A 4 -4.668 -2.057 1.437 1.00 0.00 H new ATOM 39 N LEU A 5 -4.279 -0.596 -3.731 1.00 0.00 N ATOM 40 CA LEU A 5 -3.996 0.383 -4.783 1.00 0.00 C ATOM 41 C LEU A 5 -4.665 1.733 -4.470 1.00 0.00 C ATOM 42 O LEU A 5 -5.808 1.783 -4.001 1.00 0.00 O ATOM 43 CB LEU A 5 -4.433 -0.205 -6.162 1.00 0.00 C ATOM 44 CG LEU A 5 -5.754 -1.069 -6.209 1.00 0.00 C ATOM 45 CD1 LEU A 5 -7.043 -0.214 -6.148 1.00 0.00 C ATOM 46 CD2 LEU A 5 -5.752 -2.010 -7.432 1.00 0.00 C ATOM 0 H LEU A 5 -5.190 -1.042 -3.837 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.925 0.581 -4.828 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.551 0.626 -6.858 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.616 -0.821 -6.537 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.760 -1.680 -5.306 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.915 -0.867 -6.184 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.057 0.358 -5.220 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.066 0.470 -6.996 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.672 -2.595 -7.443 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.687 -1.419 -8.346 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.896 -2.682 -7.373 1.00 0.00 H new ATOM 58 N GLU A 6 -3.930 2.825 -4.722 1.00 0.00 N ATOM 59 CA GLU A 6 -4.379 4.183 -4.370 1.00 0.00 C ATOM 60 C GLU A 6 -5.095 4.845 -5.557 1.00 0.00 C ATOM 61 O GLU A 6 -4.463 5.225 -6.546 1.00 0.00 O ATOM 62 CB GLU A 6 -3.193 5.058 -3.902 1.00 0.00 C ATOM 63 CG GLU A 6 -3.618 6.453 -3.380 1.00 0.00 C ATOM 64 CD GLU A 6 -2.428 7.370 -3.088 1.00 0.00 C ATOM 65 OE1 GLU A 6 -1.961 7.413 -1.929 1.00 0.00 O ATOM 66 OE2 GLU A 6 -1.946 8.038 -4.029 1.00 0.00 O ATOM 0 H GLU A 6 -3.015 2.795 -5.172 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.085 4.096 -3.544 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.654 4.533 -3.113 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.498 5.186 -4.732 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.264 6.929 -4.117 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.207 6.331 -2.471 1.00 0.00 H new ATOM 73 N ILE A 7 -6.415 4.970 -5.444 1.00 0.00 N ATOM 74 CA ILE A 7 -7.271 5.585 -6.475 1.00 0.00 C ATOM 75 C ILE A 7 -7.803 6.951 -5.998 1.00 0.00 C ATOM 76 O ILE A 7 -7.452 7.426 -4.911 1.00 0.00 O ATOM 77 CB ILE A 7 -8.474 4.637 -6.818 1.00 0.00 C ATOM 78 CG1 ILE A 7 -9.365 4.408 -5.549 1.00 0.00 C ATOM 79 CG2 ILE A 7 -7.963 3.299 -7.397 1.00 0.00 C ATOM 80 CD1 ILE A 7 -10.640 3.626 -5.784 1.00 0.00 C ATOM 0 H ILE A 7 -6.934 4.646 -4.628 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.669 5.738 -7.371 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.091 5.113 -7.580 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.772 3.886 -4.799 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.627 5.379 -5.129 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.811 2.655 -7.629 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.393 3.490 -8.307 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.323 2.807 -6.665 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -11.182 3.524 -4.844 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.262 4.154 -6.507 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -10.394 2.637 -6.171 1.00 0.00 H new ATOM 92 N LYS A 8 -8.665 7.567 -6.830 1.00 0.00 N ATOM 93 CA LYS A 8 -9.308 8.868 -6.536 1.00 0.00 C ATOM 94 C LYS A 8 -10.822 8.775 -6.781 1.00 0.00 C ATOM 95 O LYS A 8 -11.251 7.993 -7.623 1.00 0.00 O ATOM 96 CB LYS A 8 -8.682 9.978 -7.424 1.00 0.00 C ATOM 97 CG LYS A 8 -7.164 10.252 -7.146 1.00 0.00 C ATOM 98 CD LYS A 8 -6.269 10.059 -8.389 1.00 0.00 C ATOM 99 CE LYS A 8 -6.588 11.067 -9.503 1.00 0.00 C ATOM 100 NZ LYS A 8 -5.661 10.941 -10.656 1.00 0.00 N ATOM 0 H LYS A 8 -8.938 7.176 -7.731 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.141 9.121 -5.489 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.802 9.699 -8.471 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -9.239 10.903 -7.274 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.048 11.272 -6.778 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.821 9.586 -6.354 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.223 10.161 -8.099 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.397 9.046 -8.772 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.612 10.917 -9.844 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.531 12.079 -9.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.055 11.447 -11.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.738 11.351 -10.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.540 9.936 -10.896 1.00 0.00 H new ATOM 114 N ILE A 9 -11.631 9.538 -6.002 1.00 0.00 N ATOM 115 CA ILE A 9 -13.096 9.627 -6.215 1.00 0.00 C ATOM 116 C ILE A 9 -13.517 11.119 -6.295 1.00 0.00 C ATOM 117 O ILE A 9 -13.621 11.812 -5.273 1.00 0.00 O ATOM 118 CB ILE A 9 -13.973 8.906 -5.098 1.00 0.00 C ATOM 119 CG1 ILE A 9 -13.648 7.369 -4.937 1.00 0.00 C ATOM 120 CG2 ILE A 9 -15.484 9.094 -5.411 1.00 0.00 C ATOM 121 CD1 ILE A 9 -12.395 7.036 -4.138 1.00 0.00 C ATOM 0 H ILE A 9 -11.292 10.100 -5.221 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.291 9.099 -7.149 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.718 9.379 -4.150 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -14.500 6.885 -4.459 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.549 6.932 -5.931 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -16.079 8.599 -4.644 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -15.723 10.157 -5.425 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -15.711 8.658 -6.384 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.270 5.954 -4.092 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.526 7.481 -4.622 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.491 7.434 -3.128 1.00 0.00 H new ATOM 133 N ARG A 10 -13.709 11.591 -7.526 1.00 0.00 N ATOM 134 CA ARG A 10 -14.280 12.912 -7.827 1.00 0.00 C ATOM 135 C ARG A 10 -15.774 12.958 -7.434 1.00 0.00 C ATOM 136 O ARG A 10 -16.597 12.258 -8.022 1.00 0.00 O ATOM 137 CB ARG A 10 -14.110 13.205 -9.343 1.00 0.00 C ATOM 138 CG ARG A 10 -14.620 14.586 -9.799 1.00 0.00 C ATOM 139 CD ARG A 10 -14.517 14.797 -11.322 1.00 0.00 C ATOM 140 NE ARG A 10 -14.897 16.169 -11.708 1.00 0.00 N ATOM 141 CZ ARG A 10 -15.171 16.580 -12.958 1.00 0.00 C ATOM 142 NH1 ARG A 10 -15.133 15.734 -13.977 1.00 0.00 N ATOM 143 NH2 ARG A 10 -15.487 17.842 -13.174 1.00 0.00 N ATOM 0 H ARG A 10 -13.469 11.058 -8.362 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.756 13.673 -7.249 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -13.053 13.122 -9.598 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.636 12.435 -9.908 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.659 14.702 -9.492 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.049 15.363 -9.291 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.497 14.596 -11.649 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -15.163 14.083 -11.833 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.957 16.864 -10.964 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.893 14.755 -13.819 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -15.344 16.061 -14.920 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -15.522 18.499 -12.395 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -15.696 18.161 -14.120 1.00 0.00 H new ATOM 157 N THR A 11 -16.109 13.763 -6.420 1.00 0.00 N ATOM 158 CA THR A 11 -17.492 13.922 -5.940 1.00 0.00 C ATOM 159 C THR A 11 -18.315 14.891 -6.826 1.00 0.00 C ATOM 160 O THR A 11 -17.750 15.656 -7.611 1.00 0.00 O ATOM 161 CB THR A 11 -17.463 14.461 -4.481 1.00 0.00 C ATOM 162 OG1 THR A 11 -16.969 15.811 -4.485 1.00 0.00 O ATOM 163 CG2 THR A 11 -16.569 13.598 -3.571 1.00 0.00 C ATOM 0 H THR A 11 -15.430 14.325 -5.906 1.00 0.00 H new ATOM 0 HA THR A 11 -17.974 12.946 -5.985 1.00 0.00 H new ATOM 0 HB THR A 11 -18.479 14.425 -4.088 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.089 15.836 -4.915 1.00 0.00 H new ATOM 0 HG21 THR A 11 -16.575 14.007 -2.561 1.00 0.00 H new ATOM 0 HG22 THR A 11 -16.949 12.576 -3.551 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.549 13.599 -3.956 1.00 0.00 H new ATOM 171 N THR A 12 -19.661 14.875 -6.661 1.00 0.00 N ATOM 172 CA THR A 12 -20.557 15.907 -7.245 1.00 0.00 C ATOM 173 C THR A 12 -20.399 17.266 -6.526 1.00 0.00 C ATOM 174 O THR A 12 -20.887 18.288 -7.011 1.00 0.00 O ATOM 175 CB THR A 12 -22.067 15.475 -7.163 1.00 0.00 C ATOM 176 OG1 THR A 12 -22.323 14.873 -5.879 1.00 0.00 O ATOM 177 CG2 THR A 12 -22.465 14.511 -8.291 1.00 0.00 C ATOM 0 H THR A 12 -20.152 14.157 -6.127 1.00 0.00 H new ATOM 0 HA THR A 12 -20.264 16.010 -8.290 1.00 0.00 H new ATOM 0 HB THR A 12 -22.676 16.371 -7.285 1.00 0.00 H new ATOM 0 HG1 THR A 12 -22.256 15.555 -5.179 1.00 0.00 H new ATOM 0 HG21 THR A 12 -23.517 14.244 -8.188 1.00 0.00 H new ATOM 0 HG22 THR A 12 -22.306 14.994 -9.255 1.00 0.00 H new ATOM 0 HG23 THR A 12 -21.855 13.610 -8.232 1.00 0.00 H new ATOM 185 N GLU A 13 -19.719 17.253 -5.366 1.00 0.00 N ATOM 186 CA GLU A 13 -19.522 18.436 -4.514 1.00 0.00 C ATOM 187 C GLU A 13 -18.494 19.411 -5.120 1.00 0.00 C ATOM 188 O GLU A 13 -18.389 20.557 -4.674 1.00 0.00 O ATOM 189 CB GLU A 13 -19.087 17.973 -3.098 1.00 0.00 C ATOM 190 CG GLU A 13 -19.944 16.829 -2.503 1.00 0.00 C ATOM 191 CD GLU A 13 -21.456 17.143 -2.447 1.00 0.00 C ATOM 192 OE1 GLU A 13 -22.191 16.798 -3.405 1.00 0.00 O ATOM 193 OE2 GLU A 13 -21.920 17.730 -1.444 1.00 0.00 O ATOM 0 H GLU A 13 -19.286 16.409 -4.990 1.00 0.00 H new ATOM 0 HA GLU A 13 -20.464 18.980 -4.444 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -18.048 17.647 -3.140 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -19.126 18.828 -2.423 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -19.792 15.928 -3.097 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -19.591 16.610 -1.495 1.00 0.00 H new ATOM 200 N GLY A 14 -17.728 18.936 -6.129 1.00 0.00 N ATOM 201 CA GLY A 14 -16.744 19.770 -6.833 1.00 0.00 C ATOM 202 C GLY A 14 -15.310 19.363 -6.532 1.00 0.00 C ATOM 203 O GLY A 14 -14.396 19.727 -7.272 1.00 0.00 O ATOM 0 H GLY A 14 -17.778 17.976 -6.470 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.919 19.703 -7.907 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -16.889 20.813 -6.551 1.00 0.00 H new ATOM 207 N ARG A 15 -15.121 18.598 -5.442 1.00 0.00 N ATOM 208 CA ARG A 15 -13.791 18.129 -4.995 1.00 0.00 C ATOM 209 C ARG A 15 -13.486 16.723 -5.552 1.00 0.00 C ATOM 210 O ARG A 15 -14.380 16.042 -6.060 1.00 0.00 O ATOM 211 CB ARG A 15 -13.732 18.116 -3.438 1.00 0.00 C ATOM 212 CG ARG A 15 -14.763 17.179 -2.763 1.00 0.00 C ATOM 213 CD ARG A 15 -14.696 17.196 -1.233 1.00 0.00 C ATOM 214 NE ARG A 15 -14.919 18.548 -0.682 1.00 0.00 N ATOM 215 CZ ARG A 15 -15.389 18.823 0.547 1.00 0.00 C ATOM 216 NH1 ARG A 15 -15.782 17.857 1.370 1.00 0.00 N ATOM 217 NH2 ARG A 15 -15.497 20.081 0.934 1.00 0.00 N ATOM 0 H ARG A 15 -15.885 18.285 -4.843 1.00 0.00 H new ATOM 0 HA ARG A 15 -13.036 18.815 -5.378 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -12.731 17.817 -3.128 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -13.889 19.131 -3.073 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.766 17.469 -3.078 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -14.600 16.160 -3.114 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -15.444 16.513 -0.830 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -13.722 16.829 -0.909 1.00 0.00 H new ATOM 0 HE ARG A 15 -14.698 19.340 -1.285 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -15.731 16.882 1.074 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -16.135 18.090 2.298 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -15.225 20.834 0.302 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.853 20.300 1.865 1.00 0.00 H new ATOM 231 N THR A 16 -12.209 16.319 -5.466 1.00 0.00 N ATOM 232 CA THR A 16 -11.755 14.947 -5.758 1.00 0.00 C ATOM 233 C THR A 16 -10.949 14.434 -4.559 1.00 0.00 C ATOM 234 O THR A 16 -10.019 15.100 -4.099 1.00 0.00 O ATOM 235 CB THR A 16 -10.882 14.882 -7.060 1.00 0.00 C ATOM 236 OG1 THR A 16 -11.631 15.378 -8.176 1.00 0.00 O ATOM 237 CG2 THR A 16 -10.411 13.447 -7.379 1.00 0.00 C ATOM 0 H THR A 16 -11.451 16.943 -5.188 1.00 0.00 H new ATOM 0 HA THR A 16 -12.630 14.320 -5.928 1.00 0.00 H new ATOM 0 HB THR A 16 -10.001 15.499 -6.883 1.00 0.00 H new ATOM 0 HG1 THR A 16 -11.079 15.336 -8.985 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.811 13.455 -8.289 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.811 13.069 -6.551 1.00 0.00 H new ATOM 0 HG23 THR A 16 -11.278 12.803 -7.522 1.00 0.00 H new ATOM 245 N LEU A 17 -11.329 13.251 -4.066 1.00 0.00 N ATOM 246 CA LEU A 17 -10.683 12.585 -2.924 1.00 0.00 C ATOM 247 C LEU A 17 -9.600 11.647 -3.468 1.00 0.00 C ATOM 248 O LEU A 17 -9.619 11.322 -4.648 1.00 0.00 O ATOM 249 CB LEU A 17 -11.748 11.776 -2.129 1.00 0.00 C ATOM 250 CG LEU A 17 -13.050 12.565 -1.778 1.00 0.00 C ATOM 251 CD1 LEU A 17 -14.169 11.616 -1.304 1.00 0.00 C ATOM 252 CD2 LEU A 17 -12.772 13.691 -0.747 1.00 0.00 C ATOM 0 H LEU A 17 -12.107 12.718 -4.454 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.233 13.318 -2.255 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -12.021 10.895 -2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.296 11.421 -1.203 1.00 0.00 H new ATOM 0 HG LEU A 17 -13.400 13.047 -2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -15.061 12.195 -1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.399 10.901 -2.094 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -13.839 11.079 -0.415 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -13.700 14.219 -0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.375 13.255 0.170 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.045 14.391 -1.160 1.00 0.00 H new ATOM 264 N THR A 18 -8.664 11.220 -2.619 1.00 0.00 N ATOM 265 CA THR A 18 -7.637 10.231 -2.992 1.00 0.00 C ATOM 266 C THR A 18 -7.467 9.230 -1.836 1.00 0.00 C ATOM 267 O THR A 18 -6.927 9.587 -0.784 1.00 0.00 O ATOM 268 CB THR A 18 -6.266 10.924 -3.320 1.00 0.00 C ATOM 269 OG1 THR A 18 -6.452 11.895 -4.358 1.00 0.00 O ATOM 270 CG2 THR A 18 -5.194 9.911 -3.774 1.00 0.00 C ATOM 0 H THR A 18 -8.592 11.545 -1.655 1.00 0.00 H new ATOM 0 HA THR A 18 -7.961 9.709 -3.892 1.00 0.00 H new ATOM 0 HB THR A 18 -5.917 11.400 -2.403 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.596 12.327 -4.559 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.264 10.437 -3.989 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.023 9.182 -2.982 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.536 9.397 -4.672 1.00 0.00 H new ATOM 278 N VAL A 19 -7.962 7.988 -2.016 1.00 0.00 N ATOM 279 CA VAL A 19 -7.901 6.932 -0.975 1.00 0.00 C ATOM 280 C VAL A 19 -7.310 5.644 -1.563 1.00 0.00 C ATOM 281 O VAL A 19 -7.461 5.372 -2.759 1.00 0.00 O ATOM 282 CB VAL A 19 -9.322 6.622 -0.338 1.00 0.00 C ATOM 283 CG1 VAL A 19 -9.936 7.877 0.331 1.00 0.00 C ATOM 284 CG2 VAL A 19 -10.305 6.006 -1.371 1.00 0.00 C ATOM 0 H VAL A 19 -8.413 7.687 -2.880 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.259 7.309 -0.179 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.157 5.876 0.439 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.908 7.625 0.755 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.274 8.228 1.123 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.058 8.663 -0.414 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.263 5.811 -0.890 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -10.449 6.703 -2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.894 5.071 -1.752 1.00 0.00 H new ATOM 294 N ASP A 20 -6.636 4.858 -0.713 1.00 0.00 N ATOM 295 CA ASP A 20 -6.105 3.533 -1.092 1.00 0.00 C ATOM 296 C ASP A 20 -7.052 2.438 -0.576 1.00 0.00 C ATOM 297 O ASP A 20 -7.566 2.523 0.548 1.00 0.00 O ATOM 298 CB ASP A 20 -4.650 3.335 -0.577 1.00 0.00 C ATOM 299 CG ASP A 20 -4.513 3.323 0.957 1.00 0.00 C ATOM 300 OD1 ASP A 20 -4.736 4.381 1.588 1.00 0.00 O ATOM 301 OD2 ASP A 20 -4.163 2.266 1.532 1.00 0.00 O ATOM 0 H ASP A 20 -6.442 5.117 0.254 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.057 3.465 -2.179 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.263 2.395 -0.971 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.024 4.131 -0.979 1.00 0.00 H new ATOM 306 N VAL A 21 -7.307 1.437 -1.430 1.00 0.00 N ATOM 307 CA VAL A 21 -8.246 0.322 -1.178 1.00 0.00 C ATOM 308 C VAL A 21 -7.735 -0.951 -1.875 1.00 0.00 C ATOM 309 O VAL A 21 -6.943 -0.874 -2.814 1.00 0.00 O ATOM 310 CB VAL A 21 -9.704 0.643 -1.711 1.00 0.00 C ATOM 311 CG1 VAL A 21 -10.458 1.661 -0.812 1.00 0.00 C ATOM 312 CG2 VAL A 21 -9.642 1.136 -3.183 1.00 0.00 C ATOM 0 H VAL A 21 -6.856 1.374 -2.343 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.299 0.177 -0.099 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.275 -0.285 -1.672 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.451 1.844 -1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.552 1.257 0.196 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.901 2.597 -0.777 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.650 1.353 -3.537 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.035 2.040 -3.239 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.197 0.361 -3.808 1.00 0.00 H new ATOM 322 N LYS A 22 -8.211 -2.114 -1.415 1.00 0.00 N ATOM 323 CA LYS A 22 -7.854 -3.417 -2.004 1.00 0.00 C ATOM 324 C LYS A 22 -8.739 -3.712 -3.236 1.00 0.00 C ATOM 325 O LYS A 22 -9.930 -3.416 -3.198 1.00 0.00 O ATOM 326 CB LYS A 22 -8.005 -4.528 -0.934 1.00 0.00 C ATOM 327 CG LYS A 22 -7.038 -4.352 0.251 1.00 0.00 C ATOM 328 CD LYS A 22 -7.226 -5.384 1.379 1.00 0.00 C ATOM 329 CE LYS A 22 -6.165 -5.237 2.480 1.00 0.00 C ATOM 330 NZ LYS A 22 -6.420 -6.159 3.619 1.00 0.00 N ATOM 0 H LYS A 22 -8.853 -2.182 -0.626 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.816 -3.390 -2.337 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.030 -4.532 -0.563 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.831 -5.499 -1.398 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.014 -4.416 -0.118 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.166 -3.352 0.664 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.218 -5.267 1.815 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.177 -6.390 0.961 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.178 -5.438 2.063 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.155 -4.208 2.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.683 -6.030 4.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.351 -5.950 4.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.404 -7.142 3.280 1.00 0.00 H new ATOM 344 N PRO A 23 -8.165 -4.303 -4.341 1.00 0.00 N ATOM 345 CA PRO A 23 -8.938 -4.673 -5.562 1.00 0.00 C ATOM 346 C PRO A 23 -9.965 -5.809 -5.299 1.00 0.00 C ATOM 347 O PRO A 23 -10.902 -6.003 -6.081 1.00 0.00 O ATOM 348 CB PRO A 23 -7.835 -5.108 -6.571 1.00 0.00 C ATOM 349 CG PRO A 23 -6.684 -5.544 -5.707 1.00 0.00 C ATOM 350 CD PRO A 23 -6.722 -4.649 -4.485 1.00 0.00 C ATOM 0 HA PRO A 23 -9.550 -3.849 -5.929 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.181 -5.920 -7.211 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.550 -4.285 -7.226 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.781 -6.593 -5.427 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.737 -5.442 -6.237 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.344 -5.163 -3.601 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.109 -3.758 -4.623 1.00 0.00 H new ATOM 358 N ASP A 24 -9.764 -6.541 -4.181 1.00 0.00 N ATOM 359 CA ASP A 24 -10.686 -7.591 -3.693 1.00 0.00 C ATOM 360 C ASP A 24 -11.988 -6.978 -3.118 1.00 0.00 C ATOM 361 O ASP A 24 -13.009 -7.665 -3.002 1.00 0.00 O ATOM 362 CB ASP A 24 -9.952 -8.441 -2.615 1.00 0.00 C ATOM 363 CG ASP A 24 -10.853 -9.487 -1.917 1.00 0.00 C ATOM 364 OD1 ASP A 24 -11.143 -9.339 -0.706 1.00 0.00 O ATOM 365 OD2 ASP A 24 -11.287 -10.452 -2.579 1.00 0.00 O ATOM 0 H ASP A 24 -8.946 -6.418 -3.584 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.976 -8.228 -4.529 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.112 -8.955 -3.082 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.537 -7.773 -1.860 1.00 0.00 H new ATOM 370 N ARG A 25 -11.950 -5.674 -2.783 1.00 0.00 N ATOM 371 CA ARG A 25 -13.107 -4.963 -2.199 1.00 0.00 C ATOM 372 C ARG A 25 -14.191 -4.732 -3.267 1.00 0.00 C ATOM 373 O ARG A 25 -13.883 -4.681 -4.456 1.00 0.00 O ATOM 374 CB ARG A 25 -12.663 -3.610 -1.564 1.00 0.00 C ATOM 375 CG ARG A 25 -11.714 -3.748 -0.345 1.00 0.00 C ATOM 376 CD ARG A 25 -12.357 -4.513 0.825 1.00 0.00 C ATOM 377 NE ARG A 25 -11.456 -4.631 1.990 1.00 0.00 N ATOM 378 CZ ARG A 25 -11.850 -4.600 3.280 1.00 0.00 C ATOM 379 NH1 ARG A 25 -13.107 -4.327 3.604 1.00 0.00 N ATOM 380 NH2 ARG A 25 -10.975 -4.829 4.242 1.00 0.00 N ATOM 0 H ARG A 25 -11.125 -5.087 -2.907 1.00 0.00 H new ATOM 0 HA ARG A 25 -13.528 -5.585 -1.409 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -12.167 -3.011 -2.328 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -13.552 -3.060 -1.255 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.805 -4.263 -0.654 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -11.418 -2.755 -0.006 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -13.272 -4.004 1.128 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -12.643 -5.510 0.489 1.00 0.00 H new ATOM 0 HE ARG A 25 -10.459 -4.745 1.805 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -13.792 -4.137 2.873 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -13.388 -4.308 4.584 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.002 -5.029 4.010 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -11.272 -4.806 5.218 1.00 0.00 H new ATOM 394 N THR A 26 -15.453 -4.613 -2.835 1.00 0.00 N ATOM 395 CA THR A 26 -16.593 -4.313 -3.723 1.00 0.00 C ATOM 396 C THR A 26 -16.737 -2.798 -3.889 1.00 0.00 C ATOM 397 O THR A 26 -16.117 -2.023 -3.146 1.00 0.00 O ATOM 398 CB THR A 26 -17.925 -4.914 -3.162 1.00 0.00 C ATOM 399 OG1 THR A 26 -18.109 -4.488 -1.796 1.00 0.00 O ATOM 400 CG2 THR A 26 -17.944 -6.460 -3.243 1.00 0.00 C ATOM 0 H THR A 26 -15.717 -4.722 -1.856 1.00 0.00 H new ATOM 0 HA THR A 26 -16.397 -4.771 -4.692 1.00 0.00 H new ATOM 0 HB THR A 26 -18.744 -4.546 -3.780 1.00 0.00 H new ATOM 0 HG1 THR A 26 -18.944 -4.863 -1.446 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.887 -6.834 -2.843 1.00 0.00 H new ATOM 0 HG22 THR A 26 -17.842 -6.771 -4.283 1.00 0.00 H new ATOM 0 HG23 THR A 26 -17.117 -6.865 -2.660 1.00 0.00 H new ATOM 408 N ILE A 27 -17.552 -2.382 -4.873 1.00 0.00 N ATOM 409 CA ILE A 27 -17.803 -0.959 -5.155 1.00 0.00 C ATOM 410 C ILE A 27 -18.494 -0.285 -3.947 1.00 0.00 C ATOM 411 O ILE A 27 -18.272 0.897 -3.697 1.00 0.00 O ATOM 412 CB ILE A 27 -18.632 -0.781 -6.486 1.00 0.00 C ATOM 413 CG1 ILE A 27 -17.848 -1.359 -7.711 1.00 0.00 C ATOM 414 CG2 ILE A 27 -19.040 0.694 -6.739 1.00 0.00 C ATOM 415 CD1 ILE A 27 -16.501 -0.707 -7.997 1.00 0.00 C ATOM 0 H ILE A 27 -18.053 -3.019 -5.492 1.00 0.00 H new ATOM 0 HA ILE A 27 -16.846 -0.460 -5.309 1.00 0.00 H new ATOM 0 HB ILE A 27 -19.555 -1.348 -6.362 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -17.688 -2.425 -7.547 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.474 -1.263 -8.598 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.608 0.760 -7.667 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -19.654 1.049 -5.911 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -18.145 1.311 -6.817 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -16.044 -1.182 -8.865 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -16.646 0.354 -8.199 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.848 -0.826 -7.132 1.00 0.00 H new ATOM 427 N GLU A 28 -19.276 -1.079 -3.171 1.00 0.00 N ATOM 428 CA GLU A 28 -19.905 -0.631 -1.900 1.00 0.00 C ATOM 429 C GLU A 28 -18.876 -0.066 -0.904 1.00 0.00 C ATOM 430 O GLU A 28 -19.158 0.906 -0.195 1.00 0.00 O ATOM 431 CB GLU A 28 -20.661 -1.794 -1.217 1.00 0.00 C ATOM 432 CG GLU A 28 -21.868 -2.320 -2.005 1.00 0.00 C ATOM 433 CD GLU A 28 -22.720 -3.351 -1.247 1.00 0.00 C ATOM 434 OE1 GLU A 28 -22.167 -4.157 -0.470 1.00 0.00 O ATOM 435 OE2 GLU A 28 -23.952 -3.358 -1.438 1.00 0.00 O ATOM 0 H GLU A 28 -19.488 -2.048 -3.408 1.00 0.00 H new ATOM 0 HA GLU A 28 -20.601 0.163 -2.171 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -19.964 -2.616 -1.053 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -21.000 -1.463 -0.236 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -22.501 -1.477 -2.282 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -21.513 -2.771 -2.932 1.00 0.00 H new ATOM 442 N GLU A 29 -17.704 -0.717 -0.856 1.00 0.00 N ATOM 443 CA GLU A 29 -16.573 -0.310 -0.002 1.00 0.00 C ATOM 444 C GLU A 29 -16.060 1.079 -0.403 1.00 0.00 C ATOM 445 O GLU A 29 -15.699 1.871 0.462 1.00 0.00 O ATOM 446 CB GLU A 29 -15.431 -1.363 -0.067 1.00 0.00 C ATOM 447 CG GLU A 29 -15.849 -2.788 0.361 1.00 0.00 C ATOM 448 CD GLU A 29 -16.304 -2.857 1.827 1.00 0.00 C ATOM 449 OE1 GLU A 29 -17.523 -2.808 2.098 1.00 0.00 O ATOM 450 OE2 GLU A 29 -15.434 -2.942 2.719 1.00 0.00 O ATOM 0 H GLU A 29 -17.511 -1.549 -1.413 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.925 -0.254 1.028 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -15.047 -1.401 -1.086 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.611 -1.031 0.570 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.658 -3.134 -0.283 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.010 -3.468 0.213 1.00 0.00 H new ATOM 457 N LEU A 30 -16.064 1.369 -1.720 1.00 0.00 N ATOM 458 CA LEU A 30 -15.700 2.703 -2.246 1.00 0.00 C ATOM 459 C LEU A 30 -16.727 3.742 -1.811 1.00 0.00 C ATOM 460 O LEU A 30 -16.361 4.824 -1.350 1.00 0.00 O ATOM 461 CB LEU A 30 -15.613 2.689 -3.788 1.00 0.00 C ATOM 462 CG LEU A 30 -14.637 1.651 -4.396 1.00 0.00 C ATOM 463 CD1 LEU A 30 -14.658 1.706 -5.939 1.00 0.00 C ATOM 464 CD2 LEU A 30 -13.210 1.836 -3.836 1.00 0.00 C ATOM 0 H LEU A 30 -16.316 0.695 -2.443 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.722 2.963 -1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.609 2.501 -4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.315 3.682 -4.126 1.00 0.00 H new ATOM 0 HG LEU A 30 -14.975 0.657 -4.102 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -13.964 0.967 -6.339 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.664 1.489 -6.297 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.361 2.700 -6.272 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.546 1.094 -4.280 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.851 2.836 -4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.225 1.708 -2.754 1.00 0.00 H new ATOM 476 N MET A 31 -18.015 3.363 -1.963 1.00 0.00 N ATOM 477 CA MET A 31 -19.174 4.187 -1.580 1.00 0.00 C ATOM 478 C MET A 31 -19.110 4.543 -0.080 1.00 0.00 C ATOM 479 O MET A 31 -19.523 5.633 0.331 1.00 0.00 O ATOM 480 CB MET A 31 -20.501 3.452 -1.930 1.00 0.00 C ATOM 481 CG MET A 31 -20.593 2.956 -3.384 1.00 0.00 C ATOM 482 SD MET A 31 -22.267 2.559 -3.925 1.00 0.00 S ATOM 483 CE MET A 31 -22.883 4.187 -4.346 1.00 0.00 C ATOM 0 H MET A 31 -18.278 2.462 -2.362 1.00 0.00 H new ATOM 0 HA MET A 31 -19.146 5.118 -2.146 1.00 0.00 H new ATOM 0 HB2 MET A 31 -20.616 2.599 -1.261 1.00 0.00 H new ATOM 0 HB3 MET A 31 -21.336 4.125 -1.736 1.00 0.00 H new ATOM 0 HG2 MET A 31 -20.182 3.720 -4.043 1.00 0.00 H new ATOM 0 HG3 MET A 31 -19.968 2.070 -3.494 1.00 0.00 H new ATOM 0 HE1 MET A 31 -23.969 4.201 -4.250 1.00 0.00 H new ATOM 0 HE2 MET A 31 -22.449 4.926 -3.672 1.00 0.00 H new ATOM 0 HE3 MET A 31 -22.607 4.426 -5.373 1.00 0.00 H new ATOM 493 N GLU A 32 -18.541 3.609 0.710 1.00 0.00 N ATOM 494 CA GLU A 32 -18.330 3.773 2.153 1.00 0.00 C ATOM 495 C GLU A 32 -17.245 4.826 2.406 1.00 0.00 C ATOM 496 O GLU A 32 -17.432 5.726 3.222 1.00 0.00 O ATOM 497 CB GLU A 32 -17.916 2.411 2.796 1.00 0.00 C ATOM 498 CG GLU A 32 -18.267 2.263 4.292 1.00 0.00 C ATOM 499 CD GLU A 32 -19.787 2.110 4.536 1.00 0.00 C ATOM 500 OE1 GLU A 32 -20.505 3.131 4.663 1.00 0.00 O ATOM 501 OE2 GLU A 32 -20.273 0.959 4.573 1.00 0.00 O ATOM 0 H GLU A 32 -18.213 2.711 0.354 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.262 4.107 2.610 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -18.398 1.604 2.244 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -16.840 2.282 2.676 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -17.749 1.395 4.698 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -17.902 3.135 4.835 1.00 0.00 H new ATOM 508 N LYS A 33 -16.124 4.708 1.663 1.00 0.00 N ATOM 509 CA LYS A 33 -14.942 5.564 1.866 1.00 0.00 C ATOM 510 C LYS A 33 -15.260 7.027 1.522 1.00 0.00 C ATOM 511 O LYS A 33 -15.049 7.901 2.350 1.00 0.00 O ATOM 512 CB LYS A 33 -13.699 5.052 1.073 1.00 0.00 C ATOM 513 CG LYS A 33 -13.273 3.585 1.379 1.00 0.00 C ATOM 514 CD LYS A 33 -13.422 3.212 2.877 1.00 0.00 C ATOM 515 CE LYS A 33 -12.950 1.788 3.200 1.00 0.00 C ATOM 516 NZ LYS A 33 -13.230 1.427 4.621 1.00 0.00 N ATOM 0 H LYS A 33 -16.016 4.024 0.914 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.683 5.511 2.924 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -13.908 5.137 0.007 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.856 5.710 1.286 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -13.877 2.904 0.779 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.236 3.443 1.076 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.853 3.921 3.479 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.468 3.315 3.167 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.449 1.080 2.539 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.880 1.706 3.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.898 0.459 4.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.734 2.089 5.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.253 1.482 4.798 1.00 0.00 H new ATOM 530 N LEU A 34 -15.826 7.271 0.324 1.00 0.00 N ATOM 531 CA LEU A 34 -16.192 8.635 -0.130 1.00 0.00 C ATOM 532 C LEU A 34 -17.226 9.275 0.823 1.00 0.00 C ATOM 533 O LEU A 34 -17.186 10.481 1.059 1.00 0.00 O ATOM 534 CB LEU A 34 -16.677 8.600 -1.620 1.00 0.00 C ATOM 535 CG LEU A 34 -17.877 7.642 -1.963 1.00 0.00 C ATOM 536 CD1 LEU A 34 -19.268 8.296 -1.768 1.00 0.00 C ATOM 537 CD2 LEU A 34 -17.738 7.043 -3.378 1.00 0.00 C ATOM 0 H LEU A 34 -16.042 6.539 -0.353 1.00 0.00 H new ATOM 0 HA LEU A 34 -15.308 9.272 -0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -16.960 9.613 -1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -15.830 8.317 -2.245 1.00 0.00 H new ATOM 0 HG LEU A 34 -17.820 6.830 -1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -20.047 7.577 -2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -19.383 8.602 -0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -19.354 9.169 -2.415 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.584 6.387 -3.580 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.719 7.847 -4.113 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -16.812 6.471 -3.442 1.00 0.00 H new ATOM 549 N LYS A 35 -18.110 8.437 1.409 1.00 0.00 N ATOM 550 CA LYS A 35 -19.091 8.883 2.419 1.00 0.00 C ATOM 551 C LYS A 35 -18.394 9.374 3.709 1.00 0.00 C ATOM 552 O LYS A 35 -18.740 10.428 4.234 1.00 0.00 O ATOM 553 CB LYS A 35 -20.086 7.732 2.727 1.00 0.00 C ATOM 554 CG LYS A 35 -21.067 7.974 3.905 1.00 0.00 C ATOM 555 CD LYS A 35 -21.928 9.248 3.746 1.00 0.00 C ATOM 556 CE LYS A 35 -22.864 9.476 4.936 1.00 0.00 C ATOM 557 NZ LYS A 35 -23.625 10.745 4.800 1.00 0.00 N ATOM 0 H LYS A 35 -18.162 7.441 1.196 1.00 0.00 H new ATOM 0 HA LYS A 35 -19.644 9.730 2.012 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -20.671 7.535 1.829 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -19.512 6.830 2.938 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -21.726 7.111 4.001 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -20.497 8.045 4.832 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -21.274 10.112 3.632 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -22.518 9.172 2.833 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -23.560 8.641 5.017 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -22.283 9.497 5.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -23.875 11.103 5.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -23.040 11.449 4.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -24.493 10.572 4.254 1.00 0.00 H new ATOM 571 N GLU A 36 -17.407 8.619 4.208 1.00 0.00 N ATOM 572 CA GLU A 36 -16.708 8.964 5.474 1.00 0.00 C ATOM 573 C GLU A 36 -15.601 10.029 5.243 1.00 0.00 C ATOM 574 O GLU A 36 -15.033 10.554 6.210 1.00 0.00 O ATOM 575 CB GLU A 36 -16.160 7.682 6.159 1.00 0.00 C ATOM 576 CG GLU A 36 -15.153 6.875 5.319 1.00 0.00 C ATOM 577 CD GLU A 36 -14.752 5.537 5.958 1.00 0.00 C ATOM 578 OE1 GLU A 36 -13.868 5.532 6.843 1.00 0.00 O ATOM 579 OE2 GLU A 36 -15.321 4.484 5.584 1.00 0.00 O ATOM 0 H GLU A 36 -17.068 7.766 3.763 1.00 0.00 H new ATOM 0 HA GLU A 36 -17.431 9.416 6.153 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -15.683 7.965 7.097 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -17.000 7.035 6.411 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -15.583 6.684 4.336 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -14.258 7.477 5.164 1.00 0.00 H new ATOM 586 N GLN A 37 -15.301 10.338 3.959 1.00 0.00 N ATOM 587 CA GLN A 37 -14.339 11.399 3.577 1.00 0.00 C ATOM 588 C GLN A 37 -15.037 12.771 3.484 1.00 0.00 C ATOM 589 O GLN A 37 -14.807 13.648 4.319 1.00 0.00 O ATOM 590 CB GLN A 37 -13.652 11.048 2.227 1.00 0.00 C ATOM 591 CG GLN A 37 -12.708 9.829 2.269 1.00 0.00 C ATOM 592 CD GLN A 37 -11.438 10.079 3.071 1.00 0.00 C ATOM 593 OE1 GLN A 37 -11.386 9.839 4.280 1.00 0.00 O ATOM 594 NE2 GLN A 37 -10.408 10.568 2.403 1.00 0.00 N ATOM 0 H GLN A 37 -15.718 9.860 3.160 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.576 11.459 4.353 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.425 10.863 1.481 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.085 11.916 1.890 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -13.240 8.981 2.699 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.438 9.552 1.250 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.490 10.753 1.403 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.531 10.760 2.887 1.00 0.00 H new ATOM 603 N THR A 38 -15.918 12.933 2.479 1.00 0.00 N ATOM 604 CA THR A 38 -16.569 14.232 2.170 1.00 0.00 C ATOM 605 C THR A 38 -17.961 14.345 2.832 1.00 0.00 C ATOM 606 O THR A 38 -18.513 15.445 2.914 1.00 0.00 O ATOM 607 CB THR A 38 -16.688 14.449 0.613 1.00 0.00 C ATOM 608 OG1 THR A 38 -17.299 15.716 0.313 1.00 0.00 O ATOM 609 CG2 THR A 38 -17.488 13.341 -0.060 1.00 0.00 C ATOM 0 H THR A 38 -16.201 12.175 1.858 1.00 0.00 H new ATOM 0 HA THR A 38 -15.934 15.015 2.584 1.00 0.00 H new ATOM 0 HB THR A 38 -15.671 14.430 0.221 1.00 0.00 H new ATOM 0 HG1 THR A 38 -17.927 15.953 1.027 1.00 0.00 H new ATOM 0 HG21 THR A 38 -17.544 13.532 -1.132 1.00 0.00 H new ATOM 0 HG22 THR A 38 -16.999 12.383 0.113 1.00 0.00 H new ATOM 0 HG23 THR A 38 -18.495 13.315 0.357 1.00 0.00 H new ATOM 617 N GLY A 39 -18.525 13.213 3.299 1.00 0.00 N ATOM 618 CA GLY A 39 -19.844 13.217 3.960 1.00 0.00 C ATOM 619 C GLY A 39 -21.019 13.092 3.000 1.00 0.00 C ATOM 620 O GLY A 39 -22.180 13.184 3.426 1.00 0.00 O ATOM 0 H GLY A 39 -18.092 12.292 3.231 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -19.883 12.395 4.675 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -19.950 14.140 4.530 1.00 0.00 H new ATOM 624 N VAL A 40 -20.723 12.850 1.704 1.00 0.00 N ATOM 625 CA VAL A 40 -21.748 12.790 0.650 1.00 0.00 C ATOM 626 C VAL A 40 -22.464 11.409 0.694 1.00 0.00 C ATOM 627 O VAL A 40 -21.794 10.371 0.778 1.00 0.00 O ATOM 628 CB VAL A 40 -21.136 13.103 -0.787 1.00 0.00 C ATOM 629 CG1 VAL A 40 -20.397 11.897 -1.419 1.00 0.00 C ATOM 630 CG2 VAL A 40 -22.202 13.671 -1.741 1.00 0.00 C ATOM 0 H VAL A 40 -19.774 12.693 1.366 1.00 0.00 H new ATOM 0 HA VAL A 40 -22.489 13.567 0.838 1.00 0.00 H new ATOM 0 HB VAL A 40 -20.377 13.869 -0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -20.006 12.181 -2.396 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -19.573 11.595 -0.772 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -21.091 11.065 -1.534 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -21.750 13.873 -2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -23.008 12.946 -1.859 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -22.604 14.596 -1.328 1.00 0.00 H new ATOM 640 N PRO A 41 -23.840 11.373 0.717 1.00 0.00 N ATOM 641 CA PRO A 41 -24.601 10.109 0.823 1.00 0.00 C ATOM 642 C PRO A 41 -24.480 9.242 -0.460 1.00 0.00 C ATOM 643 O PRO A 41 -24.863 9.690 -1.542 1.00 0.00 O ATOM 644 CB PRO A 41 -26.065 10.585 1.070 1.00 0.00 C ATOM 645 CG PRO A 41 -26.129 11.952 0.463 1.00 0.00 C ATOM 646 CD PRO A 41 -24.752 12.554 0.656 1.00 0.00 C ATOM 0 HA PRO A 41 -24.228 9.462 1.618 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -26.784 9.911 0.604 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -26.298 10.613 2.134 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -26.388 11.899 -0.595 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -26.893 12.560 0.948 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -24.489 13.218 -0.167 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -24.700 13.145 1.571 1.00 0.00 H new ATOM 654 N PRO A 42 -23.936 7.983 -0.366 1.00 0.00 N ATOM 655 CA PRO A 42 -23.798 7.077 -1.535 1.00 0.00 C ATOM 656 C PRO A 42 -25.160 6.556 -2.047 1.00 0.00 C ATOM 657 O PRO A 42 -25.265 6.081 -3.175 1.00 0.00 O ATOM 658 CB PRO A 42 -22.907 5.936 -0.994 1.00 0.00 C ATOM 659 CG PRO A 42 -23.177 5.909 0.478 1.00 0.00 C ATOM 660 CD PRO A 42 -23.402 7.351 0.872 1.00 0.00 C ATOM 0 HA PRO A 42 -23.370 7.578 -2.403 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -23.157 4.983 -1.460 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -21.853 6.125 -1.200 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -24.051 5.299 0.706 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -22.337 5.479 1.024 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -24.108 7.434 1.699 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -22.476 7.826 1.195 1.00 0.00 H new ATOM 668 N GLU A 43 -26.197 6.676 -1.195 1.00 0.00 N ATOM 669 CA GLU A 43 -27.602 6.389 -1.567 1.00 0.00 C ATOM 670 C GLU A 43 -28.123 7.404 -2.616 1.00 0.00 C ATOM 671 O GLU A 43 -29.110 7.145 -3.310 1.00 0.00 O ATOM 672 CB GLU A 43 -28.492 6.417 -0.291 1.00 0.00 C ATOM 673 CG GLU A 43 -28.440 7.750 0.487 1.00 0.00 C ATOM 674 CD GLU A 43 -29.293 7.753 1.770 1.00 0.00 C ATOM 675 OE1 GLU A 43 -28.780 7.358 2.841 1.00 0.00 O ATOM 676 OE2 GLU A 43 -30.475 8.150 1.714 1.00 0.00 O ATOM 0 H GLU A 43 -26.087 6.975 -0.226 1.00 0.00 H new ATOM 0 HA GLU A 43 -27.648 5.398 -2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -29.524 6.216 -0.577 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -28.182 5.610 0.372 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -27.405 7.967 0.749 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -28.779 8.555 -0.166 1.00 0.00 H new ATOM 683 N GLN A 44 -27.428 8.551 -2.714 1.00 0.00 N ATOM 684 CA GLN A 44 -27.765 9.653 -3.632 1.00 0.00 C ATOM 685 C GLN A 44 -26.725 9.749 -4.783 1.00 0.00 C ATOM 686 O GLN A 44 -26.875 10.572 -5.693 1.00 0.00 O ATOM 687 CB GLN A 44 -27.820 10.967 -2.799 1.00 0.00 C ATOM 688 CG GLN A 44 -28.310 12.227 -3.545 1.00 0.00 C ATOM 689 CD GLN A 44 -28.321 13.478 -2.658 1.00 0.00 C ATOM 690 OE1 GLN A 44 -29.314 13.782 -1.995 1.00 0.00 O ATOM 691 NE2 GLN A 44 -27.223 14.207 -2.646 1.00 0.00 N ATOM 0 H GLN A 44 -26.602 8.741 -2.147 1.00 0.00 H new ATOM 0 HA GLN A 44 -28.733 9.476 -4.101 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -28.472 10.802 -1.941 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -26.822 11.167 -2.408 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -27.668 12.405 -4.408 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -29.315 12.049 -3.927 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -26.419 13.927 -3.207 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -27.178 15.051 -2.076 1.00 0.00 H new ATOM 700 N LEU A 45 -25.668 8.895 -4.754 1.00 0.00 N ATOM 701 CA LEU A 45 -24.554 8.935 -5.748 1.00 0.00 C ATOM 702 C LEU A 45 -24.263 7.552 -6.367 1.00 0.00 C ATOM 703 O LEU A 45 -24.742 6.525 -5.886 1.00 0.00 O ATOM 704 CB LEU A 45 -23.248 9.535 -5.121 1.00 0.00 C ATOM 705 CG LEU A 45 -23.176 11.102 -5.014 1.00 0.00 C ATOM 706 CD1 LEU A 45 -23.535 11.765 -6.360 1.00 0.00 C ATOM 707 CD2 LEU A 45 -24.044 11.662 -3.873 1.00 0.00 C ATOM 0 H LEU A 45 -25.561 8.165 -4.050 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.888 9.590 -6.553 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -23.128 9.119 -4.121 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -22.398 9.194 -5.712 1.00 0.00 H new ATOM 0 HG LEU A 45 -22.143 11.351 -4.770 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -23.478 12.849 -6.259 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -22.834 11.435 -7.127 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -24.547 11.481 -6.647 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -23.955 12.748 -3.847 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -25.086 11.387 -4.040 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -23.707 11.248 -2.923 1.00 0.00 H new ATOM 719 N ARG A 46 -23.477 7.577 -7.463 1.00 0.00 N ATOM 720 CA ARG A 46 -23.032 6.390 -8.222 1.00 0.00 C ATOM 721 C ARG A 46 -21.522 6.499 -8.442 1.00 0.00 C ATOM 722 O ARG A 46 -21.063 7.541 -8.918 1.00 0.00 O ATOM 723 CB ARG A 46 -23.712 6.339 -9.622 1.00 0.00 C ATOM 724 CG ARG A 46 -25.249 6.227 -9.618 1.00 0.00 C ATOM 725 CD ARG A 46 -25.850 6.547 -10.997 1.00 0.00 C ATOM 726 NE ARG A 46 -27.283 6.229 -11.075 1.00 0.00 N ATOM 727 CZ ARG A 46 -28.098 6.594 -12.081 1.00 0.00 C ATOM 728 NH1 ARG A 46 -27.673 7.379 -13.064 1.00 0.00 N ATOM 729 NH2 ARG A 46 -29.344 6.164 -12.101 1.00 0.00 N ATOM 0 H ARG A 46 -23.124 8.450 -7.856 1.00 0.00 H new ATOM 0 HA ARG A 46 -23.297 5.495 -7.659 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -23.434 7.237 -10.173 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -23.306 5.489 -10.171 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -25.539 5.219 -9.320 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -25.661 6.910 -8.875 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -25.703 7.604 -11.217 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -25.314 5.985 -11.762 1.00 0.00 H new ATOM 0 HE ARG A 46 -27.690 5.692 -10.309 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -26.711 7.718 -13.066 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -28.309 7.643 -13.817 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -29.686 5.557 -11.356 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -29.966 6.438 -12.862 1.00 0.00 H new ATOM 743 N VAL A 47 -20.762 5.443 -8.121 1.00 0.00 N ATOM 744 CA VAL A 47 -19.321 5.381 -8.434 1.00 0.00 C ATOM 745 C VAL A 47 -19.156 5.083 -9.940 1.00 0.00 C ATOM 746 O VAL A 47 -19.832 4.202 -10.475 1.00 0.00 O ATOM 747 CB VAL A 47 -18.596 4.294 -7.564 1.00 0.00 C ATOM 748 CG1 VAL A 47 -17.095 4.191 -7.902 1.00 0.00 C ATOM 749 CG2 VAL A 47 -18.800 4.576 -6.060 1.00 0.00 C ATOM 0 H VAL A 47 -21.119 4.616 -7.643 1.00 0.00 H new ATOM 0 HA VAL A 47 -18.858 6.339 -8.197 1.00 0.00 H new ATOM 0 HB VAL A 47 -19.048 3.331 -7.803 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -16.633 3.427 -7.277 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -16.976 3.922 -8.951 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -16.614 5.151 -7.717 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -18.290 3.811 -5.474 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -18.389 5.555 -5.815 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -19.865 4.560 -5.828 1.00 0.00 H new ATOM 759 N ILE A 48 -18.292 5.863 -10.616 1.00 0.00 N ATOM 760 CA ILE A 48 -18.111 5.828 -12.084 1.00 0.00 C ATOM 761 C ILE A 48 -16.611 5.666 -12.416 1.00 0.00 C ATOM 762 O ILE A 48 -15.795 6.395 -11.880 1.00 0.00 O ATOM 763 CB ILE A 48 -18.650 7.169 -12.747 1.00 0.00 C ATOM 764 CG1 ILE A 48 -20.128 7.478 -12.312 1.00 0.00 C ATOM 765 CG2 ILE A 48 -18.529 7.141 -14.292 1.00 0.00 C ATOM 766 CD1 ILE A 48 -21.174 6.463 -12.752 1.00 0.00 C ATOM 0 H ILE A 48 -17.691 6.545 -10.154 1.00 0.00 H new ATOM 0 HA ILE A 48 -18.675 4.985 -12.483 1.00 0.00 H new ATOM 0 HB ILE A 48 -18.015 7.975 -12.380 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -20.158 7.555 -11.225 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -20.407 8.454 -12.709 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -18.908 8.076 -14.704 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -17.483 7.019 -14.573 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -19.110 6.308 -14.687 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -22.156 6.776 -12.398 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -21.184 6.399 -13.840 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -20.932 5.486 -12.334 1.00 0.00 H new ATOM 778 N TYR A 49 -16.259 4.717 -13.294 1.00 0.00 N ATOM 779 CA TYR A 49 -14.861 4.508 -13.755 1.00 0.00 C ATOM 780 C TYR A 49 -14.772 4.725 -15.259 1.00 0.00 C ATOM 781 O TYR A 49 -15.406 3.987 -16.023 1.00 0.00 O ATOM 782 CB TYR A 49 -14.376 3.077 -13.402 1.00 0.00 C ATOM 783 CG TYR A 49 -13.016 2.652 -14.001 1.00 0.00 C ATOM 784 CD1 TYR A 49 -11.814 3.115 -13.472 1.00 0.00 C ATOM 785 CD2 TYR A 49 -12.944 1.772 -15.091 1.00 0.00 C ATOM 786 CE1 TYR A 49 -10.604 2.705 -13.988 1.00 0.00 C ATOM 787 CE2 TYR A 49 -11.730 1.370 -15.610 1.00 0.00 C ATOM 788 CZ TYR A 49 -10.564 1.843 -15.059 1.00 0.00 C ATOM 789 OH TYR A 49 -9.345 1.437 -15.564 1.00 0.00 O ATOM 0 H TYR A 49 -16.927 4.068 -13.710 1.00 0.00 H new ATOM 0 HA TYR A 49 -14.219 5.228 -13.247 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -14.314 2.994 -12.317 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -15.134 2.367 -13.733 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -11.830 3.807 -12.643 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -13.857 1.402 -15.533 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.684 3.062 -13.550 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -11.697 0.687 -16.446 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.490 0.828 -16.318 1.00 0.00 H new ATOM 799 N ASN A 50 -13.994 5.752 -15.671 1.00 0.00 N ATOM 800 CA ASN A 50 -13.624 6.001 -17.082 1.00 0.00 C ATOM 801 C ASN A 50 -14.901 6.202 -17.958 1.00 0.00 C ATOM 802 O ASN A 50 -14.920 5.890 -19.155 1.00 0.00 O ATOM 803 CB ASN A 50 -12.698 4.832 -17.582 1.00 0.00 C ATOM 804 CG ASN A 50 -11.788 5.178 -18.766 1.00 0.00 C ATOM 805 OD1 ASN A 50 -12.103 6.025 -19.599 1.00 0.00 O ATOM 806 ND2 ASN A 50 -10.641 4.516 -18.845 1.00 0.00 N ATOM 0 H ASN A 50 -13.602 6.438 -15.026 1.00 0.00 H new ATOM 0 HA ASN A 50 -13.057 6.928 -17.170 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -12.075 4.503 -16.750 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -13.327 3.987 -17.863 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -9.995 4.705 -19.611 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -10.405 3.818 -18.139 1.00 0.00 H new ATOM 813 N GLY A 51 -15.973 6.724 -17.321 1.00 0.00 N ATOM 814 CA GLY A 51 -17.257 6.957 -17.985 1.00 0.00 C ATOM 815 C GLY A 51 -18.159 5.725 -18.013 1.00 0.00 C ATOM 816 O GLY A 51 -18.931 5.552 -18.953 1.00 0.00 O ATOM 0 H GLY A 51 -15.964 6.992 -16.337 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.778 7.768 -17.477 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.074 7.287 -19.008 1.00 0.00 H new ATOM 820 N ARG A 52 -18.048 4.858 -16.986 1.00 0.00 N ATOM 821 CA ARG A 52 -18.870 3.627 -16.848 1.00 0.00 C ATOM 822 C ARG A 52 -19.504 3.571 -15.452 1.00 0.00 C ATOM 823 O ARG A 52 -18.814 3.800 -14.458 1.00 0.00 O ATOM 824 CB ARG A 52 -17.991 2.371 -17.093 1.00 0.00 C ATOM 825 CG ARG A 52 -18.690 1.019 -16.814 1.00 0.00 C ATOM 826 CD ARG A 52 -17.834 -0.181 -17.250 1.00 0.00 C ATOM 827 NE ARG A 52 -18.557 -1.454 -17.126 1.00 0.00 N ATOM 828 CZ ARG A 52 -17.993 -2.670 -17.153 1.00 0.00 C ATOM 829 NH1 ARG A 52 -16.674 -2.811 -17.266 1.00 0.00 N ATOM 830 NH2 ARG A 52 -18.756 -3.748 -17.044 1.00 0.00 N ATOM 0 H ARG A 52 -17.384 4.988 -16.223 1.00 0.00 H new ATOM 0 HA ARG A 52 -19.666 3.647 -17.592 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -17.651 2.380 -18.129 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -17.102 2.440 -16.465 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -18.909 0.939 -15.749 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -19.645 0.991 -17.339 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -17.519 -0.043 -18.284 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.929 -0.219 -16.644 1.00 0.00 H new ATOM 0 HE ARG A 52 -19.569 -1.409 -17.010 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -16.077 -1.987 -17.334 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.261 -3.743 -17.285 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -19.766 -3.650 -16.940 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.333 -4.676 -17.064 1.00 0.00 H new ATOM 844 N GLU A 53 -20.813 3.250 -15.387 1.00 0.00 N ATOM 845 CA GLU A 53 -21.550 3.143 -14.117 1.00 0.00 C ATOM 846 C GLU A 53 -21.173 1.834 -13.411 1.00 0.00 C ATOM 847 O GLU A 53 -21.362 0.739 -13.966 1.00 0.00 O ATOM 848 CB GLU A 53 -23.085 3.225 -14.352 1.00 0.00 C ATOM 849 CG GLU A 53 -23.908 3.511 -13.071 1.00 0.00 C ATOM 850 CD GLU A 53 -25.419 3.648 -13.349 1.00 0.00 C ATOM 851 OE1 GLU A 53 -25.853 4.738 -13.773 1.00 0.00 O ATOM 852 OE2 GLU A 53 -26.169 2.662 -13.171 1.00 0.00 O ATOM 0 H GLU A 53 -21.384 3.059 -16.211 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.272 3.982 -13.479 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.288 4.007 -15.083 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.426 2.285 -14.787 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.747 2.706 -12.354 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -23.544 4.428 -12.608 1.00 0.00 H new ATOM 859 N LEU A 54 -20.597 1.957 -12.206 1.00 0.00 N ATOM 860 CA LEU A 54 -20.109 0.808 -11.431 1.00 0.00 C ATOM 861 C LEU A 54 -21.192 0.314 -10.469 1.00 0.00 C ATOM 862 O LEU A 54 -21.630 1.052 -9.572 1.00 0.00 O ATOM 863 CB LEU A 54 -18.816 1.157 -10.645 1.00 0.00 C ATOM 864 CG LEU A 54 -17.650 1.826 -11.459 1.00 0.00 C ATOM 865 CD1 LEU A 54 -16.338 1.808 -10.652 1.00 0.00 C ATOM 866 CD2 LEU A 54 -17.474 1.188 -12.862 1.00 0.00 C ATOM 0 H LEU A 54 -20.457 2.855 -11.742 1.00 0.00 H new ATOM 0 HA LEU A 54 -19.868 0.013 -12.137 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -19.086 1.825 -9.827 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -18.434 0.240 -10.195 1.00 0.00 H new ATOM 0 HG LEU A 54 -17.924 2.867 -11.628 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.545 2.276 -11.236 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -16.476 2.357 -9.721 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -16.063 0.777 -10.428 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -16.657 1.683 -13.387 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -17.246 0.128 -12.754 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -18.395 1.304 -13.433 1.00 0.00 H new ATOM 878 N GLU A 55 -21.611 -0.936 -10.684 1.00 0.00 N ATOM 879 CA GLU A 55 -22.569 -1.634 -9.834 1.00 0.00 C ATOM 880 C GLU A 55 -21.947 -1.926 -8.453 1.00 0.00 C ATOM 881 O GLU A 55 -20.851 -2.485 -8.397 1.00 0.00 O ATOM 882 CB GLU A 55 -23.005 -2.946 -10.534 1.00 0.00 C ATOM 883 CG GLU A 55 -23.907 -2.736 -11.767 1.00 0.00 C ATOM 884 CD GLU A 55 -25.354 -2.395 -11.364 1.00 0.00 C ATOM 885 OE1 GLU A 55 -26.162 -3.331 -11.165 1.00 0.00 O ATOM 886 OE2 GLU A 55 -25.691 -1.196 -11.231 1.00 0.00 O ATOM 0 H GLU A 55 -21.285 -1.499 -11.470 1.00 0.00 H new ATOM 0 HA GLU A 55 -23.446 -1.006 -9.677 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -22.114 -3.495 -10.839 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -23.533 -3.571 -9.814 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -23.502 -1.932 -12.382 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -23.903 -3.638 -12.379 1.00 0.00 H new ATOM 893 N PRO A 56 -22.659 -1.569 -7.323 1.00 0.00 N ATOM 894 CA PRO A 56 -22.144 -1.746 -5.931 1.00 0.00 C ATOM 895 C PRO A 56 -21.899 -3.239 -5.591 1.00 0.00 C ATOM 896 O PRO A 56 -20.920 -3.594 -4.915 1.00 0.00 O ATOM 897 CB PRO A 56 -23.257 -1.096 -5.054 1.00 0.00 C ATOM 898 CG PRO A 56 -24.494 -1.141 -5.900 1.00 0.00 C ATOM 899 CD PRO A 56 -24.025 -0.976 -7.331 1.00 0.00 C ATOM 0 HA PRO A 56 -21.170 -1.284 -5.769 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -23.396 -1.645 -4.122 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -23.000 -0.071 -4.785 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -25.023 -2.085 -5.769 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -25.186 -0.346 -5.622 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -24.682 -1.493 -8.030 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -24.005 0.073 -7.628 1.00 0.00 H new ATOM 907 N ARG A 57 -22.805 -4.079 -6.113 1.00 0.00 N ATOM 908 CA ARG A 57 -22.730 -5.564 -6.076 1.00 0.00 C ATOM 909 C ARG A 57 -21.400 -6.114 -6.649 1.00 0.00 C ATOM 910 O ARG A 57 -20.877 -7.129 -6.167 1.00 0.00 O ATOM 911 CB ARG A 57 -23.951 -6.172 -6.861 1.00 0.00 C ATOM 912 CG ARG A 57 -24.360 -5.364 -8.123 1.00 0.00 C ATOM 913 CD ARG A 57 -25.333 -6.094 -9.069 1.00 0.00 C ATOM 914 NE ARG A 57 -24.625 -7.032 -9.971 1.00 0.00 N ATOM 915 CZ ARG A 57 -24.595 -6.939 -11.312 1.00 0.00 C ATOM 916 NH1 ARG A 57 -25.252 -5.973 -11.941 1.00 0.00 N ATOM 917 NH2 ARG A 57 -23.910 -7.815 -12.023 1.00 0.00 N ATOM 0 H ARG A 57 -23.641 -3.742 -6.590 1.00 0.00 H new ATOM 0 HA ARG A 57 -22.768 -5.865 -5.029 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -23.706 -7.191 -7.159 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -24.807 -6.233 -6.189 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -24.818 -4.427 -7.805 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -23.459 -5.105 -8.680 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -26.069 -6.642 -8.481 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -25.880 -5.362 -9.663 1.00 0.00 H new ATOM 0 HE ARG A 57 -24.121 -7.808 -9.542 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -25.788 -5.289 -11.407 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -25.221 -5.914 -12.959 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -23.401 -8.565 -11.555 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -23.889 -7.742 -13.040 1.00 0.00 H new ATOM 931 N THR A 58 -20.868 -5.439 -7.676 1.00 0.00 N ATOM 932 CA THR A 58 -19.673 -5.893 -8.411 1.00 0.00 C ATOM 933 C THR A 58 -18.369 -5.426 -7.706 1.00 0.00 C ATOM 934 O THR A 58 -18.380 -4.463 -6.932 1.00 0.00 O ATOM 935 CB THR A 58 -19.755 -5.383 -9.891 1.00 0.00 C ATOM 936 OG1 THR A 58 -21.048 -5.708 -10.442 1.00 0.00 O ATOM 937 CG2 THR A 58 -18.667 -5.991 -10.793 1.00 0.00 C ATOM 0 H THR A 58 -21.252 -4.561 -8.024 1.00 0.00 H new ATOM 0 HA THR A 58 -19.645 -6.983 -8.420 1.00 0.00 H new ATOM 0 HB THR A 58 -19.599 -4.305 -9.864 1.00 0.00 H new ATOM 0 HG1 THR A 58 -21.099 -5.387 -11.367 1.00 0.00 H new ATOM 0 HG21 THR A 58 -18.774 -5.601 -11.805 1.00 0.00 H new ATOM 0 HG22 THR A 58 -17.683 -5.727 -10.405 1.00 0.00 H new ATOM 0 HG23 THR A 58 -18.772 -7.076 -10.809 1.00 0.00 H new ATOM 945 N THR A 59 -17.260 -6.147 -7.963 1.00 0.00 N ATOM 946 CA THR A 59 -15.952 -5.927 -7.314 1.00 0.00 C ATOM 947 C THR A 59 -15.089 -4.921 -8.128 1.00 0.00 C ATOM 948 O THR A 59 -15.378 -4.645 -9.302 1.00 0.00 O ATOM 949 CB THR A 59 -15.204 -7.309 -7.172 1.00 0.00 C ATOM 950 OG1 THR A 59 -16.138 -8.329 -6.769 1.00 0.00 O ATOM 951 CG2 THR A 59 -14.061 -7.271 -6.150 1.00 0.00 C ATOM 0 H THR A 59 -17.248 -6.911 -8.638 1.00 0.00 H new ATOM 0 HA THR A 59 -16.114 -5.499 -6.325 1.00 0.00 H new ATOM 0 HB THR A 59 -14.774 -7.529 -8.149 1.00 0.00 H new ATOM 0 HG1 THR A 59 -15.670 -9.186 -6.684 1.00 0.00 H new ATOM 0 HG21 THR A 59 -13.586 -8.251 -6.098 1.00 0.00 H new ATOM 0 HG22 THR A 59 -13.325 -6.527 -6.455 1.00 0.00 H new ATOM 0 HG23 THR A 59 -14.458 -7.008 -5.170 1.00 0.00 H new ATOM 959 N LEU A 60 -14.018 -4.413 -7.489 1.00 0.00 N ATOM 960 CA LEU A 60 -13.060 -3.454 -8.080 1.00 0.00 C ATOM 961 C LEU A 60 -12.262 -4.092 -9.223 1.00 0.00 C ATOM 962 O LEU A 60 -12.139 -3.512 -10.310 1.00 0.00 O ATOM 963 CB LEU A 60 -12.071 -2.936 -6.977 1.00 0.00 C ATOM 964 CG LEU A 60 -12.498 -1.664 -6.180 1.00 0.00 C ATOM 965 CD1 LEU A 60 -13.898 -1.804 -5.580 1.00 0.00 C ATOM 966 CD2 LEU A 60 -11.463 -1.331 -5.088 1.00 0.00 C ATOM 0 H LEU A 60 -13.788 -4.662 -6.527 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.631 -2.619 -8.486 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.907 -3.743 -6.263 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.112 -2.731 -7.452 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.534 -0.836 -6.888 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.153 -0.895 -5.035 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.622 -1.963 -6.379 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.918 -2.654 -4.898 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.781 -0.441 -4.545 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.382 -2.169 -4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.493 -1.147 -5.550 1.00 0.00 H new ATOM 978 N GLU A 61 -11.710 -5.284 -8.934 1.00 0.00 N ATOM 979 CA GLU A 61 -10.889 -6.071 -9.882 1.00 0.00 C ATOM 980 C GLU A 61 -11.620 -6.300 -11.227 1.00 0.00 C ATOM 981 O GLU A 61 -10.987 -6.308 -12.288 1.00 0.00 O ATOM 982 CB GLU A 61 -10.500 -7.422 -9.223 1.00 0.00 C ATOM 983 CG GLU A 61 -11.708 -8.258 -8.750 1.00 0.00 C ATOM 984 CD GLU A 61 -11.322 -9.584 -8.084 1.00 0.00 C ATOM 985 OE1 GLU A 61 -11.450 -9.711 -6.847 1.00 0.00 O ATOM 986 OE2 GLU A 61 -10.884 -10.507 -8.801 1.00 0.00 O ATOM 0 H GLU A 61 -11.821 -5.736 -8.026 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.986 -5.505 -10.110 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.921 -8.009 -9.936 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.851 -7.225 -8.370 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.294 -7.666 -8.047 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.351 -8.466 -9.605 1.00 0.00 H new ATOM 993 N GLU A 62 -12.961 -6.429 -11.152 1.00 0.00 N ATOM 994 CA GLU A 62 -13.841 -6.630 -12.318 1.00 0.00 C ATOM 995 C GLU A 62 -13.823 -5.405 -13.240 1.00 0.00 C ATOM 996 O GLU A 62 -13.765 -5.534 -14.466 1.00 0.00 O ATOM 997 CB GLU A 62 -15.284 -6.912 -11.827 1.00 0.00 C ATOM 998 CG GLU A 62 -15.427 -8.167 -10.943 1.00 0.00 C ATOM 999 CD GLU A 62 -15.033 -9.456 -11.681 1.00 0.00 C ATOM 1000 OE1 GLU A 62 -15.833 -9.939 -12.513 1.00 0.00 O ATOM 1001 OE2 GLU A 62 -13.925 -9.986 -11.445 1.00 0.00 O ATOM 0 H GLU A 62 -13.468 -6.396 -10.267 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.476 -7.483 -12.891 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.639 -6.047 -11.267 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -15.935 -7.019 -12.695 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.804 -8.055 -10.056 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.458 -8.250 -10.600 1.00 0.00 H new ATOM 1008 N TYR A 63 -13.861 -4.212 -12.628 1.00 0.00 N ATOM 1009 CA TYR A 63 -13.858 -2.930 -13.357 1.00 0.00 C ATOM 1010 C TYR A 63 -12.437 -2.407 -13.614 1.00 0.00 C ATOM 1011 O TYR A 63 -12.297 -1.314 -14.167 1.00 0.00 O ATOM 1012 CB TYR A 63 -14.680 -1.878 -12.575 1.00 0.00 C ATOM 1013 CG TYR A 63 -16.183 -2.178 -12.521 1.00 0.00 C ATOM 1014 CD1 TYR A 63 -16.911 -2.369 -13.696 1.00 0.00 C ATOM 1015 CD2 TYR A 63 -16.878 -2.241 -11.314 1.00 0.00 C ATOM 1016 CE1 TYR A 63 -18.264 -2.615 -13.668 1.00 0.00 C ATOM 1017 CE2 TYR A 63 -18.232 -2.488 -11.286 1.00 0.00 C ATOM 1018 CZ TYR A 63 -18.921 -2.674 -12.467 1.00 0.00 C ATOM 1019 OH TYR A 63 -20.274 -2.916 -12.444 1.00 0.00 O ATOM 0 H TYR A 63 -13.895 -4.106 -11.614 1.00 0.00 H new ATOM 0 HA TYR A 63 -14.316 -3.107 -14.330 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -14.295 -1.814 -11.557 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -14.531 -0.901 -13.034 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -16.402 -2.323 -14.647 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -16.346 -2.094 -10.386 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -18.807 -2.761 -14.590 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -18.754 -2.536 -10.342 1.00 0.00 H new ATOM 0 HH TYR A 63 -20.437 -3.876 -12.556 1.00 0.00 H new ATOM 1029 N ASN A 64 -11.401 -3.192 -13.220 1.00 0.00 N ATOM 1030 CA ASN A 64 -9.975 -2.828 -13.395 1.00 0.00 C ATOM 1031 C ASN A 64 -9.691 -1.476 -12.687 1.00 0.00 C ATOM 1032 O ASN A 64 -9.116 -0.539 -13.254 1.00 0.00 O ATOM 1033 CB ASN A 64 -9.589 -2.828 -14.914 1.00 0.00 C ATOM 1034 CG ASN A 64 -8.083 -2.655 -15.196 1.00 0.00 C ATOM 1035 OD1 ASN A 64 -7.325 -3.626 -15.207 1.00 0.00 O ATOM 1036 ND2 ASN A 64 -7.646 -1.425 -15.442 1.00 0.00 N ATOM 0 H ASN A 64 -11.534 -4.098 -12.771 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.338 -3.576 -12.923 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.923 -3.765 -15.360 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.133 -2.026 -15.413 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -6.660 -1.266 -15.647 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -8.297 -0.640 -15.426 1.00 0.00 H new ATOM 1043 N ILE A 65 -10.168 -1.384 -11.434 1.00 0.00 N ATOM 1044 CA ILE A 65 -9.910 -0.226 -10.567 1.00 0.00 C ATOM 1045 C ILE A 65 -8.453 -0.312 -10.079 1.00 0.00 C ATOM 1046 O ILE A 65 -8.166 -0.943 -9.068 1.00 0.00 O ATOM 1047 CB ILE A 65 -10.925 -0.164 -9.359 1.00 0.00 C ATOM 1048 CG1 ILE A 65 -12.404 -0.186 -9.861 1.00 0.00 C ATOM 1049 CG2 ILE A 65 -10.672 1.070 -8.457 1.00 0.00 C ATOM 1050 CD1 ILE A 65 -12.805 0.989 -10.724 1.00 0.00 C ATOM 0 H ILE A 65 -10.740 -2.107 -10.997 1.00 0.00 H new ATOM 0 HA ILE A 65 -10.057 0.695 -11.130 1.00 0.00 H new ATOM 0 HB ILE A 65 -10.756 -1.055 -8.754 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -12.566 -1.104 -10.426 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -13.065 -0.223 -8.995 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -11.391 1.076 -7.638 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.661 1.023 -8.052 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -10.785 1.980 -9.046 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -13.848 0.882 -11.022 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -12.681 1.914 -10.160 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -12.175 1.019 -11.613 1.00 0.00 H new ATOM 1062 N THR A 66 -7.547 0.242 -10.896 1.00 0.00 N ATOM 1063 CA THR A 66 -6.088 0.218 -10.682 1.00 0.00 C ATOM 1064 C THR A 66 -5.579 1.564 -10.094 1.00 0.00 C ATOM 1065 O THR A 66 -6.297 2.560 -10.159 1.00 0.00 O ATOM 1066 CB THR A 66 -5.393 -0.125 -12.050 1.00 0.00 C ATOM 1067 OG1 THR A 66 -5.994 0.638 -13.115 1.00 0.00 O ATOM 1068 CG2 THR A 66 -5.482 -1.628 -12.369 1.00 0.00 C ATOM 0 H THR A 66 -7.813 0.734 -11.749 1.00 0.00 H new ATOM 0 HA THR A 66 -5.835 -0.547 -9.948 1.00 0.00 H new ATOM 0 HB THR A 66 -4.339 0.138 -11.963 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.554 0.419 -13.963 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.991 -1.827 -13.322 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.989 -2.197 -11.581 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.529 -1.925 -12.431 1.00 0.00 H new ATOM 1076 N PRO A 67 -4.332 1.628 -9.495 1.00 0.00 N ATOM 1077 CA PRO A 67 -3.851 2.840 -8.782 1.00 0.00 C ATOM 1078 C PRO A 67 -3.663 4.060 -9.720 1.00 0.00 C ATOM 1079 O PRO A 67 -3.017 3.963 -10.775 1.00 0.00 O ATOM 1080 CB PRO A 67 -2.504 2.390 -8.147 1.00 0.00 C ATOM 1081 CG PRO A 67 -2.039 1.261 -9.020 1.00 0.00 C ATOM 1082 CD PRO A 67 -3.300 0.547 -9.465 1.00 0.00 C ATOM 0 HA PRO A 67 -4.575 3.187 -8.044 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.780 3.205 -8.132 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.640 2.065 -7.116 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.476 1.633 -9.876 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.379 0.588 -8.473 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.174 0.087 -10.445 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.574 -0.249 -8.772 1.00 0.00 H new ATOM 1090 N GLY A 68 -4.254 5.198 -9.326 1.00 0.00 N ATOM 1091 CA GLY A 68 -4.093 6.469 -10.029 1.00 0.00 C ATOM 1092 C GLY A 68 -5.339 6.886 -10.787 1.00 0.00 C ATOM 1093 O GLY A 68 -5.467 8.056 -11.157 1.00 0.00 O ATOM 0 H GLY A 68 -4.859 5.257 -8.507 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.834 7.246 -9.310 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.259 6.390 -10.726 1.00 0.00 H new ATOM 1097 N VAL A 69 -6.262 5.928 -11.023 1.00 0.00 N ATOM 1098 CA VAL A 69 -7.484 6.183 -11.802 1.00 0.00 C ATOM 1099 C VAL A 69 -8.449 7.109 -11.034 1.00 0.00 C ATOM 1100 O VAL A 69 -8.533 7.061 -9.795 1.00 0.00 O ATOM 1101 CB VAL A 69 -8.202 4.848 -12.228 1.00 0.00 C ATOM 1102 CG1 VAL A 69 -7.232 3.924 -13.014 1.00 0.00 C ATOM 1103 CG2 VAL A 69 -8.849 4.110 -11.023 1.00 0.00 C ATOM 0 H VAL A 69 -6.179 4.970 -10.682 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.180 6.692 -12.717 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.021 5.122 -12.893 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.751 3.008 -13.297 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -6.887 4.438 -13.911 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.376 3.676 -12.386 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.330 3.196 -11.372 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.079 3.859 -10.294 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.592 4.757 -10.557 1.00 0.00 H new ATOM 1113 N THR A 70 -9.153 7.964 -11.786 1.00 0.00 N ATOM 1114 CA THR A 70 -10.070 8.961 -11.233 1.00 0.00 C ATOM 1115 C THR A 70 -11.513 8.479 -11.411 1.00 0.00 C ATOM 1116 O THR A 70 -12.067 8.546 -12.510 1.00 0.00 O ATOM 1117 CB THR A 70 -9.888 10.348 -11.935 1.00 0.00 C ATOM 1118 OG1 THR A 70 -8.491 10.663 -12.013 1.00 0.00 O ATOM 1119 CG2 THR A 70 -10.626 11.478 -11.184 1.00 0.00 C ATOM 0 H THR A 70 -9.100 7.981 -12.804 1.00 0.00 H new ATOM 0 HA THR A 70 -9.846 9.085 -10.173 1.00 0.00 H new ATOM 0 HB THR A 70 -10.319 10.274 -12.933 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.375 11.531 -12.454 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.473 12.422 -11.706 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.692 11.254 -11.146 1.00 0.00 H new ATOM 0 HG23 THR A 70 -10.235 11.556 -10.170 1.00 0.00 H new ATOM 1127 N LEU A 71 -12.082 7.931 -10.340 1.00 0.00 N ATOM 1128 CA LEU A 71 -13.526 7.648 -10.253 1.00 0.00 C ATOM 1129 C LEU A 71 -14.299 8.968 -10.167 1.00 0.00 C ATOM 1130 O LEU A 71 -13.722 10.006 -9.848 1.00 0.00 O ATOM 1131 CB LEU A 71 -13.853 6.736 -9.028 1.00 0.00 C ATOM 1132 CG LEU A 71 -13.626 5.187 -9.203 1.00 0.00 C ATOM 1133 CD1 LEU A 71 -12.373 4.833 -10.034 1.00 0.00 C ATOM 1134 CD2 LEU A 71 -13.568 4.505 -7.826 1.00 0.00 C ATOM 0 H LEU A 71 -11.561 7.668 -9.504 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.831 7.109 -11.150 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.249 7.073 -8.185 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -14.896 6.896 -8.757 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.478 4.811 -9.770 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.282 3.750 -10.112 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.465 5.262 -11.032 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.486 5.237 -9.546 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.411 3.434 -7.957 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.746 4.924 -7.247 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.506 4.672 -7.297 1.00 0.00 H new ATOM 1146 N GLU A 72 -15.595 8.920 -10.473 1.00 0.00 N ATOM 1147 CA GLU A 72 -16.488 10.085 -10.405 1.00 0.00 C ATOM 1148 C GLU A 72 -17.785 9.674 -9.708 1.00 0.00 C ATOM 1149 O GLU A 72 -18.079 8.481 -9.572 1.00 0.00 O ATOM 1150 CB GLU A 72 -16.776 10.657 -11.827 1.00 0.00 C ATOM 1151 CG GLU A 72 -15.519 11.162 -12.584 1.00 0.00 C ATOM 1152 CD GLU A 72 -15.822 11.687 -13.994 1.00 0.00 C ATOM 1153 OE1 GLU A 72 -15.492 12.857 -14.303 1.00 0.00 O ATOM 1154 OE2 GLU A 72 -16.398 10.928 -14.801 1.00 0.00 O ATOM 0 H GLU A 72 -16.062 8.066 -10.778 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.004 10.876 -9.833 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.259 9.884 -12.425 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -17.485 11.480 -11.737 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.049 11.956 -12.003 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.797 10.349 -12.655 1.00 0.00 H new ATOM 1161 N LEU A 73 -18.532 10.672 -9.231 1.00 0.00 N ATOM 1162 CA LEU A 73 -19.855 10.477 -8.630 1.00 0.00 C ATOM 1163 C LEU A 73 -20.907 11.169 -9.492 1.00 0.00 C ATOM 1164 O LEU A 73 -20.800 12.364 -9.771 1.00 0.00 O ATOM 1165 CB LEU A 73 -19.887 10.995 -7.168 1.00 0.00 C ATOM 1166 CG LEU A 73 -19.065 10.153 -6.138 1.00 0.00 C ATOM 1167 CD1 LEU A 73 -19.160 10.744 -4.712 1.00 0.00 C ATOM 1168 CD2 LEU A 73 -19.509 8.665 -6.156 1.00 0.00 C ATOM 0 H LEU A 73 -18.234 11.647 -9.251 1.00 0.00 H new ATOM 0 HA LEU A 73 -20.078 9.411 -8.592 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -19.513 12.019 -7.155 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -20.925 11.031 -6.836 1.00 0.00 H new ATOM 0 HG LEU A 73 -18.019 10.198 -6.440 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -18.576 10.132 -4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -18.769 11.762 -4.713 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -20.202 10.756 -4.392 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -18.922 8.101 -5.431 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -20.566 8.598 -5.898 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -19.351 8.250 -7.152 1.00 0.00 H new ATOM 1180 N LYS A 74 -21.868 10.376 -9.989 1.00 0.00 N ATOM 1181 CA LYS A 74 -23.051 10.866 -10.718 1.00 0.00 C ATOM 1182 C LYS A 74 -24.295 10.619 -9.856 1.00 0.00 C ATOM 1183 O LYS A 74 -24.322 9.674 -9.068 1.00 0.00 O ATOM 1184 CB LYS A 74 -23.170 10.164 -12.116 1.00 0.00 C ATOM 1185 CG LYS A 74 -22.383 10.841 -13.279 1.00 0.00 C ATOM 1186 CD LYS A 74 -20.873 11.043 -12.985 1.00 0.00 C ATOM 1187 CE LYS A 74 -20.108 11.679 -14.146 1.00 0.00 C ATOM 1188 NZ LYS A 74 -20.603 13.039 -14.451 1.00 0.00 N ATOM 0 H LYS A 74 -21.846 9.361 -9.895 1.00 0.00 H new ATOM 0 HA LYS A 74 -22.955 11.935 -10.906 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -22.823 9.136 -12.017 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -24.224 10.120 -12.392 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -22.490 10.234 -14.178 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -22.834 11.810 -13.493 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -20.763 11.670 -12.100 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -20.424 10.078 -12.749 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -19.047 11.725 -13.900 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -20.203 11.051 -15.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -20.006 13.469 -15.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -21.584 12.983 -14.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -20.568 13.622 -13.591 1.00 0.00 H new ATOM 1202 N THR A 75 -25.318 11.465 -10.027 1.00 0.00 N ATOM 1203 CA THR A 75 -26.527 11.455 -9.179 1.00 0.00 C ATOM 1204 C THR A 75 -27.333 10.145 -9.367 1.00 0.00 C ATOM 1205 O THR A 75 -27.783 9.832 -10.478 1.00 0.00 O ATOM 1206 CB THR A 75 -27.409 12.705 -9.498 1.00 0.00 C ATOM 1207 OG1 THR A 75 -27.746 12.722 -10.898 1.00 0.00 O ATOM 1208 CG2 THR A 75 -26.680 14.020 -9.138 1.00 0.00 C ATOM 0 H THR A 75 -25.336 12.178 -10.756 1.00 0.00 H new ATOM 0 HA THR A 75 -26.218 11.500 -8.135 1.00 0.00 H new ATOM 0 HB THR A 75 -28.314 12.634 -8.894 1.00 0.00 H new ATOM 0 HG1 THR A 75 -27.771 11.804 -11.240 1.00 0.00 H new ATOM 0 HG21 THR A 75 -27.323 14.868 -9.373 1.00 0.00 H new ATOM 0 HG22 THR A 75 -26.445 14.026 -8.074 1.00 0.00 H new ATOM 0 HG23 THR A 75 -25.757 14.094 -9.713 1.00 0.00 H new ATOM 1216 N ARG A 76 -27.479 9.376 -8.273 1.00 0.00 N ATOM 1217 CA ARG A 76 -28.156 8.069 -8.277 1.00 0.00 C ATOM 1218 C ARG A 76 -29.657 8.243 -8.506 1.00 0.00 C ATOM 1219 O ARG A 76 -30.272 9.127 -7.905 1.00 0.00 O ATOM 1220 CB ARG A 76 -27.884 7.309 -6.956 1.00 0.00 C ATOM 1221 CG ARG A 76 -28.303 5.824 -6.956 1.00 0.00 C ATOM 1222 CD ARG A 76 -27.880 5.083 -5.677 1.00 0.00 C ATOM 1223 NE ARG A 76 -28.266 3.665 -5.734 1.00 0.00 N ATOM 1224 CZ ARG A 76 -29.265 3.094 -5.043 1.00 0.00 C ATOM 1225 NH1 ARG A 76 -30.003 3.800 -4.195 1.00 0.00 N ATOM 1226 NH2 ARG A 76 -29.521 1.808 -5.219 1.00 0.00 N ATOM 0 H ARG A 76 -27.127 9.647 -7.355 1.00 0.00 H new ATOM 0 HA ARG A 76 -27.753 7.475 -9.098 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -26.819 7.370 -6.733 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -28.408 7.818 -6.148 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -29.385 5.757 -7.068 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -27.862 5.327 -7.820 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -26.801 5.164 -5.546 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -28.343 5.554 -4.810 1.00 0.00 H new ATOM 0 HE ARG A 76 -27.726 3.061 -6.354 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -29.815 4.793 -4.060 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -30.758 3.349 -3.678 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -28.962 1.262 -5.874 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -30.278 1.363 -4.700 1.00 0.00 H new