USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 711 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 17 GLN : amide:sc= 0.198 K(o=1.3,f=-0.64!) USER MOD Set 1.2: A 26 CYS SG : rot 18:sc= 1.13 USER MOD Single : A 9 LYS NZ :NH3+ -126:sc=-0.00203 (180deg=-0.811) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -1.24 K(o=-1.2,f=-2.7!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot -81:sc= -1.11 USER MOD Single : A 32 SER OG : rot 67:sc= 1.11 USER MOD Single : A 34 ASN : amide:sc= -0.14 K(o=-0.14,f=-2.1!) USER MOD Single : A 38 LYS NZ :NH3+ 142:sc= 0.0944 (180deg=-0.0247) USER MOD Single : A 40 THR OG1 : rot -21:sc= 0.64 USER MOD Single : A 41 LYS NZ :NH3+ -139:sc= -0.204 (180deg=-1.44!) USER MOD Single : A 42 ASN : amide:sc= -1.16 K(o=-1.2,f=0.037) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 49 SER OG : rot 180:sc= -0.0319 USER MOD Single : A 53 LYS NZ :NH3+ 156:sc= -0.132 (180deg=-0.657) USER MOD Single : A 56 GLN : amide:sc= -0.0502 K(o=-0.05,f=-1.5) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HE2:sc= -2.65! K(o=-2.6!,f=-3.5) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0358 USER MOD Single : A 76 TYR OH : rot 30:sc= -0.0579 USER MOD Single : A 83 TYR OH : rot 180:sc= -0.442 USER MOD Single : A 84 ASN : amide:sc= -0.892 K(o=-0.89,f=-4.2!) USER MOD Single : A 86 THR OG1 : rot 27:sc= 0.269 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 HIS : no HD1:sc= -5.27! K(o=-5.3!,f=-2) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -13.588 -1.705 12.230 1.00 0.00 N ATOM 67 CA LEU A 8 -12.321 -2.284 11.795 1.00 0.00 C ATOM 68 C LEU A 8 -11.171 -1.800 12.672 1.00 0.00 C ATOM 69 O LEU A 8 -10.958 -0.598 12.828 1.00 0.00 O ATOM 70 CB LEU A 8 -12.049 -1.923 10.333 1.00 0.00 C ATOM 71 CG LEU A 8 -10.705 -2.381 9.768 1.00 0.00 C ATOM 72 CD1 LEU A 8 -10.699 -3.888 9.559 1.00 0.00 C ATOM 73 CD2 LEU A 8 -10.401 -1.659 8.463 1.00 0.00 C ATOM 0 HA LEU A 8 -12.394 -3.368 11.889 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.843 -2.351 9.720 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.114 -0.840 10.229 1.00 0.00 H new ATOM 0 HG LEU A 8 -9.926 -2.131 10.488 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.734 -4.196 9.156 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.870 -4.388 10.512 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.488 -4.161 8.859 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.440 -1.998 8.075 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -11.183 -1.877 7.736 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.362 -0.585 8.642 1.00 0.00 H new ATOM 85 N LYS A 9 -10.431 -2.745 13.242 1.00 0.00 N ATOM 86 CA LYS A 9 -9.300 -2.417 14.101 1.00 0.00 C ATOM 87 C LYS A 9 -7.979 -2.651 13.375 1.00 0.00 C ATOM 88 O LYS A 9 -7.715 -3.750 12.887 1.00 0.00 O ATOM 89 CB LYS A 9 -9.345 -3.255 15.381 1.00 0.00 C ATOM 90 CG LYS A 9 -8.370 -2.789 16.449 1.00 0.00 C ATOM 91 CD LYS A 9 -8.374 -3.718 17.651 1.00 0.00 C ATOM 92 CE LYS A 9 -9.458 -3.335 18.647 1.00 0.00 C ATOM 93 NZ LYS A 9 -10.749 -4.017 18.351 1.00 0.00 N ATOM 0 H LYS A 9 -10.595 -3.745 13.124 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.369 -1.361 14.362 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -10.356 -3.228 15.787 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.129 -4.294 15.133 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -7.365 -2.740 16.029 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.632 -1.780 16.767 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.530 -4.744 17.319 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -7.401 -3.686 18.140 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.133 -3.594 19.655 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.605 -2.255 18.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.505 -3.308 18.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.668 -4.541 17.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.977 -4.679 19.120 1.00 0.00 H new ATOM 107 N ILE A 10 -7.154 -1.612 13.309 1.00 0.00 N ATOM 108 CA ILE A 10 -5.860 -1.706 12.644 1.00 0.00 C ATOM 109 C ILE A 10 -4.843 -2.431 13.520 1.00 0.00 C ATOM 110 O ILE A 10 -4.441 -1.927 14.570 1.00 0.00 O ATOM 111 CB ILE A 10 -5.309 -0.313 12.284 1.00 0.00 C ATOM 112 CG1 ILE A 10 -6.323 0.455 11.433 1.00 0.00 C ATOM 113 CG2 ILE A 10 -3.983 -0.441 11.550 1.00 0.00 C ATOM 114 CD1 ILE A 10 -7.315 1.254 12.250 1.00 0.00 C ATOM 0 H ILE A 10 -7.358 -0.696 13.708 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.017 -2.274 11.727 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.139 0.244 13.205 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.788 1.130 10.765 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.867 -0.251 10.805 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.607 0.552 11.303 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.262 -0.954 12.187 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.128 -1.013 10.633 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.003 1.772 11.582 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -7.877 0.582 12.899 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -6.781 1.984 12.858 1.00 0.00 H new ATOM 126 N LEU A 11 -4.431 -3.614 13.081 1.00 0.00 N ATOM 127 CA LEU A 11 -3.458 -4.409 13.824 1.00 0.00 C ATOM 128 C LEU A 11 -2.036 -3.950 13.523 1.00 0.00 C ATOM 129 O LEU A 11 -1.296 -3.550 14.423 1.00 0.00 O ATOM 130 CB LEU A 11 -3.612 -5.892 13.479 1.00 0.00 C ATOM 131 CG LEU A 11 -4.936 -6.541 13.882 1.00 0.00 C ATOM 132 CD1 LEU A 11 -5.293 -7.666 12.923 1.00 0.00 C ATOM 133 CD2 LEU A 11 -4.863 -7.060 15.311 1.00 0.00 C ATOM 0 H LEU A 11 -4.755 -4.045 12.215 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.647 -4.268 14.888 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.486 -6.009 12.403 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.801 -6.442 13.957 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.719 -5.785 13.831 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.238 -8.116 13.226 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.388 -7.267 11.913 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.509 -8.423 12.942 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.814 -7.519 15.581 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.068 -7.801 15.389 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.654 -6.232 15.989 1.00 0.00 H new ATOM 145 N THR A 12 -1.657 -4.008 12.249 1.00 0.00 N ATOM 146 CA THR A 12 -0.324 -3.597 11.829 1.00 0.00 C ATOM 147 C THR A 12 -0.393 -2.596 10.682 1.00 0.00 C ATOM 148 O THR A 12 -0.411 -2.961 9.506 1.00 0.00 O ATOM 149 CB THR A 12 0.524 -4.806 11.389 1.00 0.00 C ATOM 150 OG1 THR A 12 0.462 -5.835 12.383 1.00 0.00 O ATOM 151 CG2 THR A 12 1.972 -4.398 11.163 1.00 0.00 C ATOM 0 H THR A 12 -2.256 -4.336 11.491 1.00 0.00 H new ATOM 0 HA THR A 12 0.147 -3.126 12.691 1.00 0.00 H new ATOM 0 HB THR A 12 0.119 -5.184 10.450 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.002 -6.601 12.095 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.551 -5.268 10.853 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.018 -3.636 10.385 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.386 -3.998 12.088 1.00 0.00 H new ATOM 159 N PRO A 13 -0.433 -1.300 11.028 1.00 0.00 N ATOM 160 CA PRO A 13 -0.500 -0.219 10.040 1.00 0.00 C ATOM 161 C PRO A 13 0.799 -0.070 9.254 1.00 0.00 C ATOM 162 O PRO A 13 1.889 -0.264 9.794 1.00 0.00 O ATOM 163 CB PRO A 13 -0.753 1.026 10.894 1.00 0.00 C ATOM 164 CG PRO A 13 -0.198 0.686 12.234 1.00 0.00 C ATOM 165 CD PRO A 13 -0.415 -0.792 12.409 1.00 0.00 C ATOM 0 HA PRO A 13 -1.268 -0.401 9.288 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.260 1.902 10.472 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.817 1.256 10.953 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.862 0.934 12.292 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.701 1.250 13.019 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.383 -1.249 12.995 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -1.351 -1.002 12.927 1.00 0.00 H new ATOM 173 N LEU A 14 0.676 0.275 7.978 1.00 0.00 N ATOM 174 CA LEU A 14 1.840 0.450 7.117 1.00 0.00 C ATOM 175 C LEU A 14 2.900 1.306 7.803 1.00 0.00 C ATOM 176 O LEU A 14 2.599 2.366 8.353 1.00 0.00 O ATOM 177 CB LEU A 14 1.427 1.094 5.792 1.00 0.00 C ATOM 178 CG LEU A 14 0.334 0.370 5.005 1.00 0.00 C ATOM 179 CD1 LEU A 14 -0.442 1.352 4.142 1.00 0.00 C ATOM 180 CD2 LEU A 14 0.937 -0.735 4.150 1.00 0.00 C ATOM 0 H LEU A 14 -0.218 0.439 7.516 1.00 0.00 H new ATOM 0 HA LEU A 14 2.266 -0.534 6.918 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.088 2.110 5.995 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.311 1.173 5.159 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.359 -0.083 5.714 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.215 0.819 3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.905 2.107 4.777 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.237 1.835 3.440 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.145 -1.240 3.597 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.651 -0.304 3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.447 -1.454 4.791 1.00 0.00 H new ATOM 192 N THR A 15 4.145 0.840 7.765 1.00 0.00 N ATOM 193 CA THR A 15 5.251 1.563 8.381 1.00 0.00 C ATOM 194 C THR A 15 6.105 2.262 7.330 1.00 0.00 C ATOM 195 O THR A 15 6.326 1.730 6.242 1.00 0.00 O ATOM 196 CB THR A 15 6.145 0.621 9.209 1.00 0.00 C ATOM 197 OG1 THR A 15 6.559 -0.491 8.408 1.00 0.00 O ATOM 198 CG2 THR A 15 5.407 0.118 10.441 1.00 0.00 C ATOM 0 H THR A 15 4.412 -0.035 7.314 1.00 0.00 H new ATOM 0 HA THR A 15 4.811 2.310 9.042 1.00 0.00 H new ATOM 0 HB THR A 15 7.022 1.181 9.534 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.128 -1.084 8.941 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.059 -0.545 11.010 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.119 0.965 11.064 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.514 -0.426 10.133 1.00 0.00 H new ATOM 206 N ASP A 16 6.583 3.456 7.662 1.00 0.00 N ATOM 207 CA ASP A 16 7.415 4.228 6.746 1.00 0.00 C ATOM 208 C ASP A 16 8.546 3.370 6.186 1.00 0.00 C ATOM 209 O ASP A 16 9.382 2.864 6.933 1.00 0.00 O ATOM 210 CB ASP A 16 7.992 5.453 7.457 1.00 0.00 C ATOM 211 CG ASP A 16 8.755 5.087 8.715 1.00 0.00 C ATOM 212 OD1 ASP A 16 8.106 4.872 9.761 1.00 0.00 O ATOM 213 OD2 ASP A 16 10.000 5.014 8.654 1.00 0.00 O ATOM 0 H ASP A 16 6.409 3.910 8.558 1.00 0.00 H new ATOM 0 HA ASP A 16 6.789 4.560 5.917 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.655 5.986 6.776 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.182 6.136 7.713 1.00 0.00 H new ATOM 218 N GLN A 17 8.562 3.212 4.866 1.00 0.00 N ATOM 219 CA GLN A 17 9.589 2.414 4.206 1.00 0.00 C ATOM 220 C GLN A 17 10.351 3.247 3.181 1.00 0.00 C ATOM 221 O GLN A 17 9.752 3.946 2.363 1.00 0.00 O ATOM 222 CB GLN A 17 8.960 1.197 3.525 1.00 0.00 C ATOM 223 CG GLN A 17 8.216 0.281 4.483 1.00 0.00 C ATOM 224 CD GLN A 17 8.224 -1.166 4.032 1.00 0.00 C ATOM 225 OE1 GLN A 17 9.084 -1.581 3.254 1.00 0.00 O ATOM 226 NE2 GLN A 17 7.264 -1.944 4.518 1.00 0.00 N ATOM 0 H GLN A 17 7.877 3.625 4.234 1.00 0.00 H new ATOM 0 HA GLN A 17 10.293 2.074 4.966 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.271 1.539 2.753 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.742 0.627 3.024 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.668 0.352 5.472 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.185 0.622 4.579 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.572 -1.559 5.160 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.219 -2.927 4.249 1.00 0.00 H new ATOM 235 N THR A 18 11.678 3.170 3.231 1.00 0.00 N ATOM 236 CA THR A 18 12.522 3.918 2.309 1.00 0.00 C ATOM 237 C THR A 18 13.528 3.004 1.619 1.00 0.00 C ATOM 238 O THR A 18 14.156 2.160 2.259 1.00 0.00 O ATOM 239 CB THR A 18 13.282 5.046 3.032 1.00 0.00 C ATOM 240 OG1 THR A 18 12.354 5.966 3.617 1.00 0.00 O ATOM 241 CG2 THR A 18 14.197 5.786 2.068 1.00 0.00 C ATOM 0 H THR A 18 12.191 2.597 3.901 1.00 0.00 H new ATOM 0 HA THR A 18 11.861 4.356 1.561 1.00 0.00 H new ATOM 0 HB THR A 18 13.892 4.598 3.816 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.845 6.679 4.076 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.723 6.578 2.601 1.00 0.00 H new ATOM 0 HG22 THR A 18 14.921 5.089 1.646 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.603 6.222 1.265 1.00 0.00 H new ATOM 249 N VAL A 19 13.677 3.176 0.310 1.00 0.00 N ATOM 250 CA VAL A 19 14.609 2.367 -0.467 1.00 0.00 C ATOM 251 C VAL A 19 15.223 3.175 -1.605 1.00 0.00 C ATOM 252 O VAL A 19 14.769 4.277 -1.912 1.00 0.00 O ATOM 253 CB VAL A 19 13.918 1.121 -1.052 1.00 0.00 C ATOM 254 CG1 VAL A 19 13.491 0.175 0.061 1.00 0.00 C ATOM 255 CG2 VAL A 19 12.725 1.525 -1.906 1.00 0.00 C ATOM 0 H VAL A 19 13.164 3.869 -0.235 1.00 0.00 H new ATOM 0 HA VAL A 19 15.397 2.050 0.216 1.00 0.00 H new ATOM 0 HB VAL A 19 14.631 0.597 -1.689 1.00 0.00 H new ATOM 0 HG11 VAL A 19 13.005 -0.699 -0.371 1.00 0.00 H new ATOM 0 HG12 VAL A 19 14.368 -0.140 0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.794 0.686 0.726 1.00 0.00 H new ATOM 0 HG21 VAL A 19 12.249 0.632 -2.311 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.008 2.073 -1.294 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.062 2.160 -2.725 1.00 0.00 H new ATOM 265 N ASN A 20 16.257 2.620 -2.227 1.00 0.00 N ATOM 266 CA ASN A 20 16.934 3.289 -3.332 1.00 0.00 C ATOM 267 C ASN A 20 16.163 3.103 -4.635 1.00 0.00 C ATOM 268 O ASN A 20 15.324 2.208 -4.751 1.00 0.00 O ATOM 269 CB ASN A 20 18.357 2.750 -3.487 1.00 0.00 C ATOM 270 CG ASN A 20 19.343 3.449 -2.570 1.00 0.00 C ATOM 271 OD1 ASN A 20 19.771 4.571 -2.841 1.00 0.00 O ATOM 272 ND2 ASN A 20 19.708 2.786 -1.479 1.00 0.00 N ATOM 0 H ASN A 20 16.645 1.708 -1.985 1.00 0.00 H new ATOM 0 HA ASN A 20 16.979 4.354 -3.106 1.00 0.00 H new ATOM 0 HB2 ASN A 20 18.363 1.681 -3.275 1.00 0.00 H new ATOM 0 HB3 ASN A 20 18.678 2.872 -4.522 1.00 0.00 H new ATOM 0 HD21 ASN A 20 20.369 3.205 -0.825 1.00 0.00 H new ATOM 0 HD22 ASN A 20 19.327 1.858 -1.295 1.00 0.00 H new ATOM 279 N LEU A 21 16.452 3.953 -5.614 1.00 0.00 N ATOM 280 CA LEU A 21 15.787 3.882 -6.911 1.00 0.00 C ATOM 281 C LEU A 21 15.958 2.501 -7.535 1.00 0.00 C ATOM 282 O LEU A 21 17.021 1.891 -7.437 1.00 0.00 O ATOM 283 CB LEU A 21 16.345 4.952 -7.851 1.00 0.00 C ATOM 284 CG LEU A 21 15.406 5.423 -8.962 1.00 0.00 C ATOM 285 CD1 LEU A 21 14.502 6.539 -8.460 1.00 0.00 C ATOM 286 CD2 LEU A 21 16.204 5.885 -10.173 1.00 0.00 C ATOM 0 H LEU A 21 17.142 4.700 -5.535 1.00 0.00 H new ATOM 0 HA LEU A 21 14.723 4.062 -6.757 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.633 5.818 -7.254 1.00 0.00 H new ATOM 0 HB3 LEU A 21 17.255 4.565 -8.311 1.00 0.00 H new ATOM 0 HG LEU A 21 14.779 4.583 -9.263 1.00 0.00 H new ATOM 0 HD11 LEU A 21 13.841 6.861 -9.264 1.00 0.00 H new ATOM 0 HD12 LEU A 21 13.905 6.175 -7.624 1.00 0.00 H new ATOM 0 HD13 LEU A 21 15.111 7.381 -8.132 1.00 0.00 H new ATOM 0 HD21 LEU A 21 15.520 6.217 -10.954 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.855 6.711 -9.886 1.00 0.00 H new ATOM 0 HD23 LEU A 21 16.809 5.059 -10.547 1.00 0.00 H new ATOM 298 N GLY A 22 14.902 2.014 -8.181 1.00 0.00 N ATOM 299 CA GLY A 22 14.956 0.710 -8.814 1.00 0.00 C ATOM 300 C GLY A 22 14.540 -0.407 -7.878 1.00 0.00 C ATOM 301 O GLY A 22 13.851 -1.344 -8.283 1.00 0.00 O ATOM 0 H GLY A 22 14.010 2.500 -8.277 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.306 0.707 -9.689 1.00 0.00 H new ATOM 0 HA3 GLY A 22 15.970 0.524 -9.169 1.00 0.00 H new ATOM 305 N LYS A 23 14.961 -0.311 -6.621 1.00 0.00 N ATOM 306 CA LYS A 23 14.629 -1.320 -5.623 1.00 0.00 C ATOM 307 C LYS A 23 13.166 -1.736 -5.735 1.00 0.00 C ATOM 308 O LYS A 23 12.331 -0.976 -6.225 1.00 0.00 O ATOM 309 CB LYS A 23 14.913 -0.789 -4.216 1.00 0.00 C ATOM 310 CG LYS A 23 16.386 -0.812 -3.843 1.00 0.00 C ATOM 311 CD LYS A 23 16.838 -2.206 -3.443 1.00 0.00 C ATOM 312 CE LYS A 23 16.407 -2.546 -2.024 1.00 0.00 C ATOM 313 NZ LYS A 23 17.391 -2.065 -1.015 1.00 0.00 N ATOM 0 H LYS A 23 15.533 0.457 -6.270 1.00 0.00 H new ATOM 0 HA LYS A 23 15.252 -2.195 -5.807 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.544 0.234 -4.141 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.354 -1.383 -3.493 1.00 0.00 H new ATOM 0 HG2 LYS A 23 16.981 -0.464 -4.687 1.00 0.00 H new ATOM 0 HG3 LYS A 23 16.565 -0.120 -3.020 1.00 0.00 H new ATOM 0 HD2 LYS A 23 16.422 -2.937 -4.136 1.00 0.00 H new ATOM 0 HD3 LYS A 23 17.923 -2.274 -3.521 1.00 0.00 H new ATOM 0 HE2 LYS A 23 15.433 -2.099 -1.823 1.00 0.00 H new ATOM 0 HE3 LYS A 23 16.288 -3.625 -1.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.061 -2.316 -0.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 18.314 -2.511 -1.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.486 -1.032 -1.088 1.00 0.00 H new ATOM 327 N GLU A 24 12.862 -2.946 -5.276 1.00 0.00 N ATOM 328 CA GLU A 24 11.498 -3.461 -5.324 1.00 0.00 C ATOM 329 C GLU A 24 10.718 -3.052 -4.078 1.00 0.00 C ATOM 330 O GLU A 24 10.848 -3.671 -3.021 1.00 0.00 O ATOM 331 CB GLU A 24 11.509 -4.985 -5.456 1.00 0.00 C ATOM 332 CG GLU A 24 10.131 -5.587 -5.674 1.00 0.00 C ATOM 333 CD GLU A 24 10.189 -7.051 -6.064 1.00 0.00 C ATOM 334 OE1 GLU A 24 10.377 -7.897 -5.165 1.00 0.00 O ATOM 335 OE2 GLU A 24 10.048 -7.351 -7.268 1.00 0.00 O ATOM 0 H GLU A 24 13.541 -3.588 -4.867 1.00 0.00 H new ATOM 0 HA GLU A 24 11.005 -3.032 -6.197 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.154 -5.264 -6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.946 -5.416 -4.555 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.544 -5.481 -4.762 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.613 -5.028 -6.453 1.00 0.00 H new ATOM 342 N ILE A 25 9.908 -2.008 -4.211 1.00 0.00 N ATOM 343 CA ILE A 25 9.106 -1.517 -3.096 1.00 0.00 C ATOM 344 C ILE A 25 8.310 -2.647 -2.453 1.00 0.00 C ATOM 345 O ILE A 25 7.969 -3.632 -3.109 1.00 0.00 O ATOM 346 CB ILE A 25 8.134 -0.411 -3.546 1.00 0.00 C ATOM 347 CG1 ILE A 25 8.900 0.725 -4.228 1.00 0.00 C ATOM 348 CG2 ILE A 25 7.343 0.115 -2.358 1.00 0.00 C ATOM 349 CD1 ILE A 25 9.812 1.486 -3.292 1.00 0.00 C ATOM 0 H ILE A 25 9.789 -1.485 -5.079 1.00 0.00 H new ATOM 0 HA ILE A 25 9.801 -1.103 -2.365 1.00 0.00 H new ATOM 0 HB ILE A 25 7.433 -0.835 -4.265 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.493 0.313 -5.045 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.186 1.419 -4.671 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.660 0.896 -2.693 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.772 -0.699 -1.912 1.00 0.00 H new ATOM 0 HG23 ILE A 25 8.029 0.526 -1.617 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.322 2.276 -3.843 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.222 1.927 -2.488 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.550 0.804 -2.869 1.00 0.00 H new ATOM 361 N CYS A 26 8.015 -2.497 -1.166 1.00 0.00 N ATOM 362 CA CYS A 26 7.257 -3.505 -0.433 1.00 0.00 C ATOM 363 C CYS A 26 6.477 -2.871 0.714 1.00 0.00 C ATOM 364 O CYS A 26 6.996 -2.017 1.435 1.00 0.00 O ATOM 365 CB CYS A 26 8.195 -4.585 0.107 1.00 0.00 C ATOM 366 SG CYS A 26 9.268 -4.027 1.452 1.00 0.00 S ATOM 0 H CYS A 26 8.289 -1.688 -0.609 1.00 0.00 H new ATOM 0 HA CYS A 26 6.547 -3.962 -1.122 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.598 -5.427 0.458 1.00 0.00 H new ATOM 0 HB3 CYS A 26 8.816 -4.953 -0.710 1.00 0.00 H new ATOM 0 HG CYS A 26 8.785 -2.936 1.968 1.00 0.00 H new ATOM 372 N LEU A 27 5.228 -3.292 0.878 1.00 0.00 N ATOM 373 CA LEU A 27 4.375 -2.765 1.937 1.00 0.00 C ATOM 374 C LEU A 27 3.371 -3.815 2.402 1.00 0.00 C ATOM 375 O LEU A 27 2.462 -4.191 1.662 1.00 0.00 O ATOM 376 CB LEU A 27 3.636 -1.517 1.449 1.00 0.00 C ATOM 377 CG LEU A 27 4.493 -0.268 1.240 1.00 0.00 C ATOM 378 CD1 LEU A 27 3.685 0.826 0.560 1.00 0.00 C ATOM 379 CD2 LEU A 27 5.050 0.225 2.567 1.00 0.00 C ATOM 0 H LEU A 27 4.783 -3.997 0.291 1.00 0.00 H new ATOM 0 HA LEU A 27 5.010 -2.498 2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.143 -1.756 0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.852 -1.279 2.168 1.00 0.00 H new ATOM 0 HG LEU A 27 5.330 -0.529 0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.311 1.707 0.420 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.335 0.471 -0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.828 1.085 1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.657 1.114 2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.227 0.469 3.239 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.665 -0.555 3.016 1.00 0.00 H new ATOM 391 N LYS A 28 3.542 -4.284 3.633 1.00 0.00 N ATOM 392 CA LYS A 28 2.650 -5.289 4.200 1.00 0.00 C ATOM 393 C LYS A 28 1.953 -4.755 5.447 1.00 0.00 C ATOM 394 O LYS A 28 2.557 -4.046 6.252 1.00 0.00 O ATOM 395 CB LYS A 28 3.431 -6.559 4.543 1.00 0.00 C ATOM 396 CG LYS A 28 2.597 -7.614 5.248 1.00 0.00 C ATOM 397 CD LYS A 28 3.444 -8.461 6.183 1.00 0.00 C ATOM 398 CE LYS A 28 4.064 -9.644 5.456 1.00 0.00 C ATOM 399 NZ LYS A 28 4.567 -10.676 6.404 1.00 0.00 N ATOM 0 H LYS A 28 4.290 -3.984 4.258 1.00 0.00 H new ATOM 0 HA LYS A 28 1.891 -5.528 3.455 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.839 -6.984 3.626 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.278 -6.295 5.176 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.801 -7.131 5.814 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.118 -8.255 4.508 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.232 -7.847 6.618 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.828 -8.821 7.007 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.324 -10.091 4.792 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.885 -9.295 4.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.982 -11.466 5.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 5.292 -10.257 7.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.779 -11.027 6.985 1.00 0.00 H new ATOM 413 N CYS A 29 0.680 -5.103 5.602 1.00 0.00 N ATOM 414 CA CYS A 29 -0.099 -4.659 6.753 1.00 0.00 C ATOM 415 C CYS A 29 -1.130 -5.711 7.149 1.00 0.00 C ATOM 416 O CYS A 29 -1.517 -6.551 6.338 1.00 0.00 O ATOM 417 CB CYS A 29 -0.797 -3.334 6.443 1.00 0.00 C ATOM 418 SG CYS A 29 -2.031 -3.441 5.126 1.00 0.00 S ATOM 0 H CYS A 29 0.166 -5.691 4.946 1.00 0.00 H new ATOM 0 HA CYS A 29 0.585 -4.513 7.589 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.279 -2.969 7.350 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -0.045 -2.596 6.163 1.00 0.00 H new ATOM 0 HG CYS A 29 -1.437 -3.394 3.970 1.00 0.00 H new ATOM 424 N GLU A 30 -1.570 -5.658 8.403 1.00 0.00 N ATOM 425 CA GLU A 30 -2.554 -6.608 8.907 1.00 0.00 C ATOM 426 C GLU A 30 -3.846 -5.897 9.300 1.00 0.00 C ATOM 427 O GLU A 30 -3.837 -4.712 9.634 1.00 0.00 O ATOM 428 CB GLU A 30 -1.993 -7.369 10.110 1.00 0.00 C ATOM 429 CG GLU A 30 -2.722 -8.670 10.402 1.00 0.00 C ATOM 430 CD GLU A 30 -2.176 -9.837 9.601 1.00 0.00 C ATOM 431 OE1 GLU A 30 -0.938 -9.984 9.534 1.00 0.00 O ATOM 432 OE2 GLU A 30 -2.989 -10.603 9.042 1.00 0.00 O ATOM 0 H GLU A 30 -1.261 -4.968 9.087 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.777 -7.317 8.109 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.939 -7.585 9.933 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -2.044 -6.728 10.990 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.643 -8.896 11.465 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.782 -8.546 10.180 1.00 0.00 H new ATOM 439 N ILE A 31 -4.954 -6.628 9.256 1.00 0.00 N ATOM 440 CA ILE A 31 -6.253 -6.068 9.607 1.00 0.00 C ATOM 441 C ILE A 31 -7.131 -7.106 10.298 1.00 0.00 C ATOM 442 O ILE A 31 -7.005 -8.305 10.050 1.00 0.00 O ATOM 443 CB ILE A 31 -6.990 -5.534 8.365 1.00 0.00 C ATOM 444 CG1 ILE A 31 -7.229 -6.664 7.362 1.00 0.00 C ATOM 445 CG2 ILE A 31 -6.197 -4.406 7.722 1.00 0.00 C ATOM 446 CD1 ILE A 31 -8.442 -6.446 6.484 1.00 0.00 C ATOM 0 H ILE A 31 -4.978 -7.610 8.981 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.065 -5.241 10.292 1.00 0.00 H new ATOM 0 HB ILE A 31 -7.957 -5.140 8.676 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.347 -6.770 6.730 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.347 -7.602 7.905 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.731 -4.039 6.845 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.074 -3.594 8.438 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.217 -4.776 7.421 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.550 -7.286 5.798 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.333 -6.370 7.107 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -8.318 -5.525 5.914 1.00 0.00 H new ATOM 458 N SER A 32 -8.022 -6.636 11.166 1.00 0.00 N ATOM 459 CA SER A 32 -8.920 -7.524 11.895 1.00 0.00 C ATOM 460 C SER A 32 -10.161 -7.841 11.066 1.00 0.00 C ATOM 461 O SER A 32 -11.281 -7.830 11.577 1.00 0.00 O ATOM 462 CB SER A 32 -9.330 -6.889 13.225 1.00 0.00 C ATOM 463 OG SER A 32 -10.426 -6.008 13.053 1.00 0.00 O ATOM 0 H SER A 32 -8.141 -5.646 11.381 1.00 0.00 H new ATOM 0 HA SER A 32 -8.389 -8.455 12.093 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.595 -7.670 13.938 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.485 -6.345 13.648 1.00 0.00 H new ATOM 0 HG SER A 32 -11.223 -6.522 12.807 1.00 0.00 H new ATOM 469 N GLU A 33 -9.952 -8.123 9.784 1.00 0.00 N ATOM 470 CA GLU A 33 -11.054 -8.443 8.884 1.00 0.00 C ATOM 471 C GLU A 33 -10.542 -9.121 7.616 1.00 0.00 C ATOM 472 O GLU A 33 -9.437 -8.841 7.153 1.00 0.00 O ATOM 473 CB GLU A 33 -11.828 -7.174 8.519 1.00 0.00 C ATOM 474 CG GLU A 33 -12.971 -6.864 9.471 1.00 0.00 C ATOM 475 CD GLU A 33 -13.815 -8.083 9.787 1.00 0.00 C ATOM 476 OE1 GLU A 33 -14.664 -8.451 8.950 1.00 0.00 O ATOM 477 OE2 GLU A 33 -13.624 -8.670 10.874 1.00 0.00 O ATOM 0 H GLU A 33 -9.031 -8.136 9.346 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.722 -9.133 9.400 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.139 -6.330 8.505 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.225 -7.278 7.509 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.567 -6.457 10.398 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.604 -6.092 9.033 1.00 0.00 H new ATOM 484 N ASN A 34 -11.354 -10.014 7.061 1.00 0.00 N ATOM 485 CA ASN A 34 -10.984 -10.734 5.848 1.00 0.00 C ATOM 486 C ASN A 34 -11.756 -10.205 4.644 1.00 0.00 C ATOM 487 O ASN A 34 -12.566 -10.918 4.051 1.00 0.00 O ATOM 488 CB ASN A 34 -11.246 -12.232 6.018 1.00 0.00 C ATOM 489 CG ASN A 34 -10.355 -13.080 5.131 1.00 0.00 C ATOM 490 OD1 ASN A 34 -9.435 -12.572 4.489 1.00 0.00 O ATOM 491 ND2 ASN A 34 -10.624 -14.380 5.092 1.00 0.00 N ATOM 0 H ASN A 34 -12.273 -10.257 7.432 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.920 -10.576 5.673 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -11.087 -12.510 7.060 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -12.290 -12.444 5.788 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.058 -15.001 4.513 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -11.396 -14.758 5.641 1.00 0.00 H new ATOM 498 N ILE A 35 -11.499 -8.951 4.288 1.00 0.00 N ATOM 499 CA ILE A 35 -12.169 -8.326 3.154 1.00 0.00 C ATOM 500 C ILE A 35 -11.168 -7.627 2.241 1.00 0.00 C ATOM 501 O ILE A 35 -10.117 -7.155 2.676 1.00 0.00 O ATOM 502 CB ILE A 35 -13.226 -7.306 3.616 1.00 0.00 C ATOM 503 CG1 ILE A 35 -12.581 -6.235 4.499 1.00 0.00 C ATOM 504 CG2 ILE A 35 -14.351 -8.008 4.362 1.00 0.00 C ATOM 505 CD1 ILE A 35 -12.053 -5.049 3.723 1.00 0.00 C ATOM 0 H ILE A 35 -10.832 -8.348 4.768 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.665 -9.124 2.602 1.00 0.00 H new ATOM 0 HB ILE A 35 -13.648 -6.820 2.737 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -13.314 -5.886 5.226 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.763 -6.684 5.062 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -15.090 -7.273 4.682 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.825 -8.736 3.704 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.945 -8.518 5.236 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.610 -4.331 4.413 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -11.296 -5.386 3.014 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.872 -4.575 3.182 1.00 0.00 H new ATOM 517 N PRO A 36 -11.500 -7.555 0.943 1.00 0.00 N ATOM 518 CA PRO A 36 -10.644 -6.912 -0.058 1.00 0.00 C ATOM 519 C PRO A 36 -10.589 -5.398 0.112 1.00 0.00 C ATOM 520 O PRO A 36 -11.568 -4.773 0.517 1.00 0.00 O ATOM 521 CB PRO A 36 -11.315 -7.277 -1.385 1.00 0.00 C ATOM 522 CG PRO A 36 -12.743 -7.517 -1.034 1.00 0.00 C ATOM 523 CD PRO A 36 -12.737 -8.095 0.354 1.00 0.00 C ATOM 0 HA PRO A 36 -9.609 -7.244 0.018 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.216 -6.472 -2.113 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.861 -8.164 -1.827 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.314 -6.589 -1.068 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.208 -8.204 -1.741 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.618 -7.791 0.920 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.731 -9.185 0.335 1.00 0.00 H new ATOM 531 N GLY A 37 -9.436 -4.814 -0.201 1.00 0.00 N ATOM 532 CA GLY A 37 -9.275 -3.377 -0.076 1.00 0.00 C ATOM 533 C GLY A 37 -8.408 -2.793 -1.173 1.00 0.00 C ATOM 534 O GLY A 37 -7.668 -3.515 -1.841 1.00 0.00 O ATOM 0 H GLY A 37 -8.611 -5.310 -0.539 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.255 -2.901 -0.100 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.833 -3.147 0.893 1.00 0.00 H new ATOM 538 N LYS A 38 -8.498 -1.481 -1.361 1.00 0.00 N ATOM 539 CA LYS A 38 -7.716 -0.798 -2.385 1.00 0.00 C ATOM 540 C LYS A 38 -6.797 0.247 -1.762 1.00 0.00 C ATOM 541 O LYS A 38 -7.053 0.734 -0.660 1.00 0.00 O ATOM 542 CB LYS A 38 -8.643 -0.134 -3.406 1.00 0.00 C ATOM 543 CG LYS A 38 -7.909 0.481 -4.584 1.00 0.00 C ATOM 544 CD LYS A 38 -8.856 0.791 -5.731 1.00 0.00 C ATOM 545 CE LYS A 38 -8.102 0.997 -7.036 1.00 0.00 C ATOM 546 NZ LYS A 38 -7.415 2.318 -7.078 1.00 0.00 N ATOM 0 H LYS A 38 -9.106 -0.868 -0.817 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.100 -1.541 -2.892 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.351 -0.875 -3.777 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.224 0.641 -2.906 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.410 1.396 -4.265 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.132 -0.203 -4.927 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.569 -0.025 -5.846 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.432 1.686 -5.497 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.367 0.202 -7.160 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.797 0.922 -7.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.493 2.215 -7.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.999 2.997 -7.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.272 2.666 -6.108 1.00 0.00 H new ATOM 560 N TRP A 39 -5.728 0.588 -2.473 1.00 0.00 N ATOM 561 CA TRP A 39 -4.772 1.577 -1.989 1.00 0.00 C ATOM 562 C TRP A 39 -4.954 2.908 -2.709 1.00 0.00 C ATOM 563 O TRP A 39 -5.623 2.982 -3.740 1.00 0.00 O ATOM 564 CB TRP A 39 -3.342 1.070 -2.181 1.00 0.00 C ATOM 565 CG TRP A 39 -3.106 -0.285 -1.586 1.00 0.00 C ATOM 566 CD1 TRP A 39 -3.807 -1.428 -1.847 1.00 0.00 C ATOM 567 CD2 TRP A 39 -2.103 -0.637 -0.628 1.00 0.00 C ATOM 568 NE1 TRP A 39 -3.299 -2.470 -1.109 1.00 0.00 N ATOM 569 CE2 TRP A 39 -2.252 -2.011 -0.354 1.00 0.00 C ATOM 570 CE3 TRP A 39 -1.091 0.073 0.024 1.00 0.00 C ATOM 571 CZ2 TRP A 39 -1.429 -2.685 0.544 1.00 0.00 C ATOM 572 CZ3 TRP A 39 -0.274 -0.597 0.915 1.00 0.00 C ATOM 573 CH2 TRP A 39 -0.446 -1.965 1.168 1.00 0.00 C ATOM 0 H TRP A 39 -5.502 0.194 -3.386 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.955 1.733 -0.926 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -3.117 1.035 -3.247 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -2.649 1.781 -1.732 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.638 -1.502 -2.533 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.645 -3.429 -1.121 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -0.950 1.127 -0.165 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.561 -3.739 0.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 0.510 -0.057 1.425 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.210 -2.461 1.869 1.00 0.00 H new ATOM 584 N THR A 40 -4.355 3.960 -2.160 1.00 0.00 N ATOM 585 CA THR A 40 -4.452 5.289 -2.750 1.00 0.00 C ATOM 586 C THR A 40 -3.230 6.134 -2.407 1.00 0.00 C ATOM 587 O THR A 40 -2.801 6.185 -1.254 1.00 0.00 O ATOM 588 CB THR A 40 -5.720 6.024 -2.274 1.00 0.00 C ATOM 589 OG1 THR A 40 -5.741 6.088 -0.844 1.00 0.00 O ATOM 590 CG2 THR A 40 -6.972 5.321 -2.774 1.00 0.00 C ATOM 0 H THR A 40 -3.797 3.917 -1.307 1.00 0.00 H new ATOM 0 HA THR A 40 -4.504 5.152 -3.830 1.00 0.00 H new ATOM 0 HB THR A 40 -5.703 7.035 -2.682 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.164 5.386 -0.477 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.854 5.858 -2.426 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.967 5.300 -3.864 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.994 4.301 -2.392 1.00 0.00 H new ATOM 598 N LYS A 41 -2.673 6.796 -3.415 1.00 0.00 N ATOM 599 CA LYS A 41 -1.500 7.641 -3.221 1.00 0.00 C ATOM 600 C LYS A 41 -1.861 9.115 -3.371 1.00 0.00 C ATOM 601 O LYS A 41 -2.700 9.478 -4.195 1.00 0.00 O ATOM 602 CB LYS A 41 -0.406 7.268 -4.224 1.00 0.00 C ATOM 603 CG LYS A 41 1.001 7.523 -3.711 1.00 0.00 C ATOM 604 CD LYS A 41 2.042 7.257 -4.785 1.00 0.00 C ATOM 605 CE LYS A 41 2.297 8.493 -5.634 1.00 0.00 C ATOM 606 NZ LYS A 41 1.302 8.625 -6.734 1.00 0.00 N ATOM 0 H LYS A 41 -3.015 6.764 -4.375 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.128 7.477 -2.210 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.505 6.213 -4.481 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.558 7.835 -5.142 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.084 8.555 -3.370 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.196 6.886 -2.848 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.974 6.936 -4.319 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.707 6.439 -5.423 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.261 9.381 -5.003 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.301 8.443 -6.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.784 8.933 -7.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.843 7.706 -6.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.583 9.328 -6.469 1.00 0.00 H new ATOM 620 N ASN A 42 -1.221 9.961 -2.570 1.00 0.00 N ATOM 621 CA ASN A 42 -1.475 11.397 -2.615 1.00 0.00 C ATOM 622 C ASN A 42 -2.953 11.680 -2.863 1.00 0.00 C ATOM 623 O ASN A 42 -3.304 12.578 -3.627 1.00 0.00 O ATOM 624 CB ASN A 42 -0.628 12.051 -3.708 1.00 0.00 C ATOM 625 CG ASN A 42 0.752 12.441 -3.215 1.00 0.00 C ATOM 626 OD1 ASN A 42 1.079 13.625 -3.125 1.00 0.00 O ATOM 627 ND2 ASN A 42 1.569 11.445 -2.894 1.00 0.00 N ATOM 0 H ASN A 42 -0.523 9.677 -1.882 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.200 11.821 -1.649 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.530 11.363 -4.548 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.142 12.937 -4.080 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.510 11.646 -2.557 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.255 10.479 -2.984 1.00 0.00 H new ATOM 634 N GLY A 43 -3.816 10.908 -2.209 1.00 0.00 N ATOM 635 CA GLY A 43 -5.247 11.092 -2.371 1.00 0.00 C ATOM 636 C GLY A 43 -5.718 10.768 -3.775 1.00 0.00 C ATOM 637 O GLY A 43 -6.465 11.537 -4.380 1.00 0.00 O ATOM 0 H GLY A 43 -3.550 10.159 -1.570 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.775 10.458 -1.659 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.507 12.123 -2.133 1.00 0.00 H new ATOM 641 N LEU A 44 -5.279 9.627 -4.295 1.00 0.00 N ATOM 642 CA LEU A 44 -5.659 9.203 -5.638 1.00 0.00 C ATOM 643 C LEU A 44 -5.629 7.683 -5.758 1.00 0.00 C ATOM 644 O LEU A 44 -4.885 6.995 -5.058 1.00 0.00 O ATOM 645 CB LEU A 44 -4.723 9.826 -6.675 1.00 0.00 C ATOM 646 CG LEU A 44 -4.756 11.352 -6.778 1.00 0.00 C ATOM 647 CD1 LEU A 44 -3.520 11.865 -7.502 1.00 0.00 C ATOM 648 CD2 LEU A 44 -6.021 11.811 -7.488 1.00 0.00 C ATOM 0 H LEU A 44 -4.660 8.979 -3.807 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.677 9.544 -5.825 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.703 9.519 -6.445 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.968 9.410 -7.652 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.759 11.765 -5.769 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.561 12.952 -7.566 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.627 11.567 -6.953 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.486 11.444 -8.507 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.028 12.899 -7.552 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.049 11.388 -8.492 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.894 11.475 -6.929 1.00 0.00 H new ATOM 660 N PRO A 45 -6.454 7.144 -6.668 1.00 0.00 N ATOM 661 CA PRO A 45 -6.539 5.700 -6.903 1.00 0.00 C ATOM 662 C PRO A 45 -5.284 5.146 -7.570 1.00 0.00 C ATOM 663 O PRO A 45 -4.948 5.523 -8.693 1.00 0.00 O ATOM 664 CB PRO A 45 -7.745 5.562 -7.835 1.00 0.00 C ATOM 665 CG PRO A 45 -7.839 6.876 -8.529 1.00 0.00 C ATOM 666 CD PRO A 45 -7.368 7.904 -7.537 1.00 0.00 C ATOM 0 HA PRO A 45 -6.636 5.141 -5.972 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.605 4.748 -8.546 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.655 5.344 -7.276 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.221 6.888 -9.427 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -8.863 7.078 -8.844 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.859 8.733 -8.028 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.199 8.329 -6.973 1.00 0.00 H new ATOM 674 N VAL A 46 -4.594 4.250 -6.872 1.00 0.00 N ATOM 675 CA VAL A 46 -3.377 3.644 -7.398 1.00 0.00 C ATOM 676 C VAL A 46 -3.694 2.653 -8.512 1.00 0.00 C ATOM 677 O VAL A 46 -4.625 1.856 -8.401 1.00 0.00 O ATOM 678 CB VAL A 46 -2.587 2.920 -6.291 1.00 0.00 C ATOM 679 CG1 VAL A 46 -1.361 2.232 -6.872 1.00 0.00 C ATOM 680 CG2 VAL A 46 -2.191 3.896 -5.194 1.00 0.00 C ATOM 0 H VAL A 46 -4.857 3.928 -5.941 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.767 4.454 -7.799 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.228 2.156 -5.852 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.816 1.726 -6.075 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.673 1.502 -7.618 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.714 2.975 -7.339 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.634 3.367 -4.420 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.567 4.684 -5.616 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.088 4.337 -4.758 1.00 0.00 H new ATOM 690 N GLN A 47 -2.912 2.708 -9.586 1.00 0.00 N ATOM 691 CA GLN A 47 -3.110 1.815 -10.721 1.00 0.00 C ATOM 692 C GLN A 47 -2.510 0.441 -10.443 1.00 0.00 C ATOM 693 O GLN A 47 -1.342 0.326 -10.074 1.00 0.00 O ATOM 694 CB GLN A 47 -2.483 2.413 -11.982 1.00 0.00 C ATOM 695 CG GLN A 47 -0.987 2.654 -11.863 1.00 0.00 C ATOM 696 CD GLN A 47 -0.467 3.620 -12.908 1.00 0.00 C ATOM 697 OE1 GLN A 47 -0.914 3.613 -14.055 1.00 0.00 O ATOM 698 NE2 GLN A 47 0.484 4.461 -12.517 1.00 0.00 N ATOM 0 H GLN A 47 -2.136 3.361 -9.693 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.182 1.698 -10.877 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.669 1.744 -12.822 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.977 3.357 -12.211 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.764 3.044 -10.870 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.461 1.704 -11.958 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.826 4.433 -11.556 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.872 5.135 -13.177 1.00 0.00 H new ATOM 707 N GLU A 48 -3.318 -0.600 -10.624 1.00 0.00 N ATOM 708 CA GLU A 48 -2.867 -1.966 -10.391 1.00 0.00 C ATOM 709 C GLU A 48 -2.530 -2.660 -11.708 1.00 0.00 C ATOM 710 O GLU A 48 -3.396 -2.848 -12.562 1.00 0.00 O ATOM 711 CB GLU A 48 -3.939 -2.761 -9.643 1.00 0.00 C ATOM 712 CG GLU A 48 -4.137 -2.313 -8.205 1.00 0.00 C ATOM 713 CD GLU A 48 -5.510 -2.665 -7.668 1.00 0.00 C ATOM 714 OE1 GLU A 48 -6.484 -2.611 -8.448 1.00 0.00 O ATOM 715 OE2 GLU A 48 -5.612 -2.995 -6.468 1.00 0.00 O ATOM 0 H GLU A 48 -4.288 -0.522 -10.931 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.965 -1.924 -9.781 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.885 -2.670 -10.176 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.668 -3.817 -9.652 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.376 -2.775 -7.576 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.992 -1.235 -8.141 1.00 0.00 H new ATOM 722 N SER A 49 -1.265 -3.037 -11.865 1.00 0.00 N ATOM 723 CA SER A 49 -0.812 -3.705 -13.079 1.00 0.00 C ATOM 724 C SER A 49 0.309 -4.693 -12.769 1.00 0.00 C ATOM 725 O SER A 49 0.760 -4.799 -11.629 1.00 0.00 O ATOM 726 CB SER A 49 -0.330 -2.676 -14.104 1.00 0.00 C ATOM 727 OG SER A 49 -1.309 -1.674 -14.319 1.00 0.00 O ATOM 0 H SER A 49 -0.536 -2.891 -11.167 1.00 0.00 H new ATOM 0 HA SER A 49 -1.655 -4.256 -13.497 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.595 -2.216 -13.756 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.103 -3.175 -15.046 1.00 0.00 H new ATOM 0 HG SER A 49 -0.977 -1.028 -14.977 1.00 0.00 H new ATOM 733 N ASP A 50 0.753 -5.415 -13.792 1.00 0.00 N ATOM 734 CA ASP A 50 1.821 -6.394 -13.631 1.00 0.00 C ATOM 735 C ASP A 50 2.878 -5.890 -12.654 1.00 0.00 C ATOM 736 O ASP A 50 3.253 -6.591 -11.714 1.00 0.00 O ATOM 737 CB ASP A 50 2.465 -6.705 -14.983 1.00 0.00 C ATOM 738 CG ASP A 50 3.631 -7.666 -14.861 1.00 0.00 C ATOM 739 OD1 ASP A 50 4.688 -7.255 -14.336 1.00 0.00 O ATOM 740 OD2 ASP A 50 3.488 -8.830 -15.290 1.00 0.00 O ATOM 0 H ASP A 50 0.389 -5.340 -14.742 1.00 0.00 H new ATOM 0 HA ASP A 50 1.385 -7.307 -13.226 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.715 -7.131 -15.650 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.809 -5.777 -15.440 1.00 0.00 H new ATOM 745 N ARG A 51 3.354 -4.670 -12.882 1.00 0.00 N ATOM 746 CA ARG A 51 4.369 -4.073 -12.023 1.00 0.00 C ATOM 747 C ARG A 51 3.871 -3.968 -10.585 1.00 0.00 C ATOM 748 O ARG A 51 4.539 -4.416 -9.651 1.00 0.00 O ATOM 749 CB ARG A 51 4.755 -2.686 -12.542 1.00 0.00 C ATOM 750 CG ARG A 51 5.319 -2.700 -13.954 1.00 0.00 C ATOM 751 CD ARG A 51 5.792 -1.318 -14.378 1.00 0.00 C ATOM 752 NE ARG A 51 6.643 -1.371 -15.564 1.00 0.00 N ATOM 753 CZ ARG A 51 7.341 -0.335 -16.015 1.00 0.00 C ATOM 754 NH1 ARG A 51 7.290 0.829 -15.381 1.00 0.00 N ATOM 755 NH2 ARG A 51 8.092 -0.462 -17.101 1.00 0.00 N ATOM 0 H ARG A 51 3.053 -4.076 -13.655 1.00 0.00 H new ATOM 0 HA ARG A 51 5.248 -4.718 -12.039 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.877 -2.040 -12.517 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.492 -2.248 -11.869 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.150 -3.403 -14.008 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.557 -3.054 -14.648 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.928 -0.685 -14.580 1.00 0.00 H new ATOM 0 HD3 ARG A 51 6.341 -0.855 -13.558 1.00 0.00 H new ATOM 0 HE ARG A 51 6.705 -2.252 -16.074 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.714 0.930 -14.545 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.827 1.623 -15.729 1.00 0.00 H new ATOM 0 HH21 ARG A 51 8.134 -1.356 -17.591 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.628 0.334 -17.447 1.00 0.00 H new ATOM 769 N LEU A 52 2.695 -3.375 -10.413 1.00 0.00 N ATOM 770 CA LEU A 52 2.107 -3.211 -9.088 1.00 0.00 C ATOM 771 C LEU A 52 0.953 -4.186 -8.880 1.00 0.00 C ATOM 772 O LEU A 52 -0.145 -3.985 -9.401 1.00 0.00 O ATOM 773 CB LEU A 52 1.618 -1.775 -8.900 1.00 0.00 C ATOM 774 CG LEU A 52 1.319 -1.350 -7.461 1.00 0.00 C ATOM 775 CD1 LEU A 52 1.552 0.143 -7.286 1.00 0.00 C ATOM 776 CD2 LEU A 52 -0.108 -1.717 -7.082 1.00 0.00 C ATOM 0 H LEU A 52 2.130 -3.000 -11.174 1.00 0.00 H new ATOM 0 HA LEU A 52 2.877 -3.425 -8.347 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.370 -1.100 -9.308 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.713 -1.640 -9.493 1.00 0.00 H new ATOM 0 HG LEU A 52 1.999 -1.883 -6.796 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.334 0.427 -6.256 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.591 0.378 -7.515 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.898 0.695 -7.961 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.303 -1.407 -6.055 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.804 -1.212 -7.752 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.241 -2.795 -7.167 1.00 0.00 H new ATOM 788 N LYS A 53 1.206 -5.241 -8.114 1.00 0.00 N ATOM 789 CA LYS A 53 0.188 -6.246 -7.834 1.00 0.00 C ATOM 790 C LYS A 53 -0.175 -6.254 -6.352 1.00 0.00 C ATOM 791 O LYS A 53 0.693 -6.121 -5.489 1.00 0.00 O ATOM 792 CB LYS A 53 0.680 -7.633 -8.256 1.00 0.00 C ATOM 793 CG LYS A 53 -0.365 -8.723 -8.098 1.00 0.00 C ATOM 794 CD LYS A 53 -1.329 -8.747 -9.273 1.00 0.00 C ATOM 795 CE LYS A 53 -0.758 -9.527 -10.447 1.00 0.00 C ATOM 796 NZ LYS A 53 -0.533 -10.959 -10.105 1.00 0.00 N ATOM 0 H LYS A 53 2.109 -5.422 -7.675 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.703 -5.993 -8.408 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.998 -7.595 -9.298 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.557 -7.894 -7.664 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.128 -9.691 -8.011 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.921 -8.564 -7.174 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.273 -9.195 -8.962 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.549 -7.726 -9.586 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.440 -9.459 -11.294 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.184 -9.076 -10.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.542 -11.529 -10.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.388 -11.063 -9.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.287 -11.287 -9.468 1.00 0.00 H new ATOM 810 N VAL A 54 -1.463 -6.412 -6.064 1.00 0.00 N ATOM 811 CA VAL A 54 -1.940 -6.440 -4.686 1.00 0.00 C ATOM 812 C VAL A 54 -2.274 -7.862 -4.249 1.00 0.00 C ATOM 813 O VAL A 54 -3.341 -8.387 -4.569 1.00 0.00 O ATOM 814 CB VAL A 54 -3.187 -5.554 -4.506 1.00 0.00 C ATOM 815 CG1 VAL A 54 -3.711 -5.652 -3.082 1.00 0.00 C ATOM 816 CG2 VAL A 54 -2.870 -4.110 -4.868 1.00 0.00 C ATOM 0 H VAL A 54 -2.195 -6.523 -6.766 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.134 -6.051 -4.064 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.966 -5.912 -5.179 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.592 -5.019 -2.974 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.978 -6.686 -2.863 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.939 -5.321 -2.387 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.762 -3.497 -4.735 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.075 -3.739 -4.221 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.546 -4.058 -5.907 1.00 0.00 H new ATOM 826 N VAL A 55 -1.355 -8.481 -3.515 1.00 0.00 N ATOM 827 CA VAL A 55 -1.552 -9.842 -3.032 1.00 0.00 C ATOM 828 C VAL A 55 -2.177 -9.847 -1.642 1.00 0.00 C ATOM 829 O VAL A 55 -1.904 -8.968 -0.825 1.00 0.00 O ATOM 830 CB VAL A 55 -0.223 -10.620 -2.987 1.00 0.00 C ATOM 831 CG1 VAL A 55 -0.411 -11.960 -2.293 1.00 0.00 C ATOM 832 CG2 VAL A 55 0.330 -10.810 -4.392 1.00 0.00 C ATOM 0 H VAL A 55 -0.466 -8.061 -3.242 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.228 -10.331 -3.733 1.00 0.00 H new ATOM 0 HB VAL A 55 0.499 -10.040 -2.412 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.539 -12.495 -2.271 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.759 -11.796 -1.273 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.148 -12.551 -2.837 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.269 -11.361 -4.342 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.387 -11.369 -4.993 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.505 -9.836 -4.849 1.00 0.00 H new ATOM 842 N GLN A 56 -3.017 -10.843 -1.380 1.00 0.00 N ATOM 843 CA GLN A 56 -3.682 -10.962 -0.087 1.00 0.00 C ATOM 844 C GLN A 56 -3.253 -12.237 0.630 1.00 0.00 C ATOM 845 O GLN A 56 -3.229 -13.317 0.039 1.00 0.00 O ATOM 846 CB GLN A 56 -5.201 -10.950 -0.269 1.00 0.00 C ATOM 847 CG GLN A 56 -5.953 -10.408 0.936 1.00 0.00 C ATOM 848 CD GLN A 56 -7.365 -10.953 1.036 1.00 0.00 C ATOM 849 OE1 GLN A 56 -7.844 -11.636 0.131 1.00 0.00 O ATOM 850 NE2 GLN A 56 -8.039 -10.652 2.140 1.00 0.00 N ATOM 0 H GLN A 56 -3.253 -11.579 -2.045 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.390 -10.108 0.524 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.449 -10.348 -1.143 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.542 -11.965 -0.474 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.405 -10.659 1.844 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.991 -9.320 0.877 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.602 -10.083 2.865 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.993 -10.990 2.263 1.00 0.00 H new ATOM 859 N LYS A 57 -2.915 -12.106 1.908 1.00 0.00 N ATOM 860 CA LYS A 57 -2.488 -13.247 2.709 1.00 0.00 C ATOM 861 C LYS A 57 -3.238 -13.292 4.036 1.00 0.00 C ATOM 862 O LYS A 57 -2.840 -12.651 5.008 1.00 0.00 O ATOM 863 CB LYS A 57 -0.980 -13.181 2.965 1.00 0.00 C ATOM 864 CG LYS A 57 -0.145 -13.254 1.699 1.00 0.00 C ATOM 865 CD LYS A 57 -0.083 -14.671 1.152 1.00 0.00 C ATOM 866 CE LYS A 57 0.526 -14.704 -0.241 1.00 0.00 C ATOM 867 NZ LYS A 57 0.445 -16.061 -0.849 1.00 0.00 N ATOM 0 H LYS A 57 -2.929 -11.219 2.412 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.717 -14.156 2.152 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.749 -12.254 3.490 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.696 -14.000 3.626 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.567 -12.590 0.945 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.864 -12.899 1.907 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.507 -15.296 1.823 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.087 -15.095 1.122 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.010 -13.988 -0.880 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.569 -14.391 -0.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.870 -16.042 -1.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.959 -16.740 -0.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.551 -16.350 -0.922 1.00 0.00 H new ATOM 881 N GLY A 58 -4.326 -14.056 4.070 1.00 0.00 N ATOM 882 CA GLY A 58 -5.113 -14.172 5.284 1.00 0.00 C ATOM 883 C GLY A 58 -5.151 -12.880 6.076 1.00 0.00 C ATOM 884 O GLY A 58 -4.379 -12.699 7.018 1.00 0.00 O ATOM 0 H GLY A 58 -4.676 -14.596 3.279 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.130 -14.467 5.027 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.699 -14.965 5.907 1.00 0.00 H new ATOM 888 N ARG A 59 -6.049 -11.978 5.693 1.00 0.00 N ATOM 889 CA ARG A 59 -6.182 -10.696 6.372 1.00 0.00 C ATOM 890 C ARG A 59 -4.879 -9.904 6.300 1.00 0.00 C ATOM 891 O ARG A 59 -4.384 -9.410 7.313 1.00 0.00 O ATOM 892 CB ARG A 59 -6.581 -10.907 7.834 1.00 0.00 C ATOM 893 CG ARG A 59 -7.742 -11.871 8.014 1.00 0.00 C ATOM 894 CD ARG A 59 -8.029 -12.129 9.485 1.00 0.00 C ATOM 895 NE ARG A 59 -9.435 -12.446 9.722 1.00 0.00 N ATOM 896 CZ ARG A 59 -9.926 -12.767 10.914 1.00 0.00 C ATOM 897 NH1 ARG A 59 -9.128 -12.813 11.972 1.00 0.00 N ATOM 898 NH2 ARG A 59 -11.217 -13.042 11.049 1.00 0.00 N ATOM 0 H ARG A 59 -6.695 -12.112 4.915 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.963 -10.127 5.867 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.719 -11.282 8.387 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.847 -9.945 8.272 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.632 -11.464 7.534 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.514 -12.813 7.516 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.408 -12.953 9.836 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.753 -11.250 10.068 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.075 -12.419 8.928 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.135 -12.602 11.872 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.507 -13.060 12.886 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -11.833 -13.007 10.237 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.593 -13.288 11.965 1.00 0.00 H new ATOM 912 N ILE A 60 -4.329 -9.789 5.095 1.00 0.00 N ATOM 913 CA ILE A 60 -3.085 -9.058 4.891 1.00 0.00 C ATOM 914 C ILE A 60 -3.018 -8.470 3.485 1.00 0.00 C ATOM 915 O ILE A 60 -3.259 -9.165 2.498 1.00 0.00 O ATOM 916 CB ILE A 60 -1.858 -9.961 5.116 1.00 0.00 C ATOM 917 CG1 ILE A 60 -1.905 -10.583 6.514 1.00 0.00 C ATOM 918 CG2 ILE A 60 -0.574 -9.167 4.927 1.00 0.00 C ATOM 919 CD1 ILE A 60 -0.826 -11.616 6.752 1.00 0.00 C ATOM 0 H ILE A 60 -4.726 -10.193 4.246 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.070 -8.250 5.622 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.877 -10.765 4.380 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.810 -9.792 7.258 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.880 -11.047 6.664 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.284 -9.819 5.089 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.539 -8.767 3.914 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.546 -8.345 5.642 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.920 -12.014 7.762 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.933 -12.427 6.031 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.154 -11.153 6.634 1.00 0.00 H new ATOM 931 N HIS A 61 -2.686 -7.186 3.403 1.00 0.00 N ATOM 932 CA HIS A 61 -2.584 -6.504 2.117 1.00 0.00 C ATOM 933 C HIS A 61 -1.124 -6.263 1.744 1.00 0.00 C ATOM 934 O HIS A 61 -0.419 -5.506 2.411 1.00 0.00 O ATOM 935 CB HIS A 61 -3.337 -5.174 2.161 1.00 0.00 C ATOM 936 CG HIS A 61 -4.772 -5.311 2.569 1.00 0.00 C ATOM 937 ND1 HIS A 61 -5.821 -5.211 1.680 1.00 0.00 N ATOM 938 CD2 HIS A 61 -5.329 -5.545 3.781 1.00 0.00 C ATOM 939 CE1 HIS A 61 -6.961 -5.374 2.326 1.00 0.00 C ATOM 940 NE2 HIS A 61 -6.690 -5.579 3.603 1.00 0.00 N ATOM 0 H HIS A 61 -2.483 -6.597 4.211 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.034 -7.143 1.358 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -2.833 -4.503 2.856 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -3.291 -4.707 1.177 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -5.731 -5.038 0.679 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -4.801 -5.680 4.714 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.947 -5.345 1.886 1.00 0.00 H new ATOM 949 N LYS A 62 -0.677 -6.912 0.675 1.00 0.00 N ATOM 950 CA LYS A 62 0.698 -6.769 0.212 1.00 0.00 C ATOM 951 C LYS A 62 0.760 -5.924 -1.056 1.00 0.00 C ATOM 952 O LYS A 62 -0.086 -6.053 -1.942 1.00 0.00 O ATOM 953 CB LYS A 62 1.316 -8.145 -0.049 1.00 0.00 C ATOM 954 CG LYS A 62 2.834 -8.130 -0.102 1.00 0.00 C ATOM 955 CD LYS A 62 3.442 -8.338 1.275 1.00 0.00 C ATOM 956 CE LYS A 62 3.423 -9.804 1.677 1.00 0.00 C ATOM 957 NZ LYS A 62 4.606 -10.539 1.150 1.00 0.00 N ATOM 0 H LYS A 62 -1.248 -7.543 0.112 1.00 0.00 H new ATOM 0 HA LYS A 62 1.267 -6.264 0.993 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.995 -8.833 0.734 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.932 -8.534 -0.992 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.183 -8.912 -0.777 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.175 -7.179 -0.512 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.469 -7.972 1.280 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.891 -7.751 2.010 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.402 -9.882 2.764 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.511 -10.271 1.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.556 -11.535 1.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.613 -10.486 0.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.476 -10.110 1.524 1.00 0.00 H new ATOM 971 N LEU A 63 1.766 -5.060 -1.137 1.00 0.00 N ATOM 972 CA LEU A 63 1.940 -4.194 -2.298 1.00 0.00 C ATOM 973 C LEU A 63 3.419 -3.963 -2.589 1.00 0.00 C ATOM 974 O LEU A 63 4.098 -3.233 -1.866 1.00 0.00 O ATOM 975 CB LEU A 63 1.238 -2.855 -2.070 1.00 0.00 C ATOM 976 CG LEU A 63 0.965 -2.018 -3.320 1.00 0.00 C ATOM 977 CD1 LEU A 63 -0.215 -1.086 -3.092 1.00 0.00 C ATOM 978 CD2 LEU A 63 2.205 -1.226 -3.711 1.00 0.00 C ATOM 0 H LEU A 63 2.474 -4.940 -0.412 1.00 0.00 H new ATOM 0 HA LEU A 63 1.493 -4.689 -3.160 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.288 -3.046 -1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.844 -2.262 -1.385 1.00 0.00 H new ATOM 0 HG LEU A 63 0.715 -2.693 -4.139 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.394 -0.499 -3.993 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.103 -1.674 -2.860 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.005 -0.417 -2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.994 -0.636 -4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.485 -0.561 -2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.026 -1.913 -3.917 1.00 0.00 H new ATOM 990 N VAL A 64 3.913 -4.588 -3.653 1.00 0.00 N ATOM 991 CA VAL A 64 5.311 -4.448 -4.042 1.00 0.00 C ATOM 992 C VAL A 64 5.435 -3.925 -5.469 1.00 0.00 C ATOM 993 O VAL A 64 4.826 -4.465 -6.393 1.00 0.00 O ATOM 994 CB VAL A 64 6.062 -5.788 -3.931 1.00 0.00 C ATOM 995 CG1 VAL A 64 5.634 -6.537 -2.678 1.00 0.00 C ATOM 996 CG2 VAL A 64 5.828 -6.634 -5.173 1.00 0.00 C ATOM 0 H VAL A 64 3.365 -5.197 -4.261 1.00 0.00 H new ATOM 0 HA VAL A 64 5.760 -3.731 -3.355 1.00 0.00 H new ATOM 0 HB VAL A 64 7.130 -5.581 -3.856 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.175 -7.481 -2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.857 -5.933 -1.799 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.563 -6.734 -2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.366 -7.577 -5.077 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.762 -6.834 -5.282 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.188 -6.098 -6.051 1.00 0.00 H new ATOM 1006 N ILE A 65 6.227 -2.872 -5.641 1.00 0.00 N ATOM 1007 CA ILE A 65 6.432 -2.278 -6.956 1.00 0.00 C ATOM 1008 C ILE A 65 7.649 -2.882 -7.648 1.00 0.00 C ATOM 1009 O ILE A 65 8.672 -3.141 -7.014 1.00 0.00 O ATOM 1010 CB ILE A 65 6.614 -0.752 -6.862 1.00 0.00 C ATOM 1011 CG1 ILE A 65 5.417 -0.117 -6.151 1.00 0.00 C ATOM 1012 CG2 ILE A 65 6.792 -0.153 -8.249 1.00 0.00 C ATOM 1013 CD1 ILE A 65 5.586 1.363 -5.888 1.00 0.00 C ATOM 0 H ILE A 65 6.737 -2.413 -4.886 1.00 0.00 H new ATOM 0 HA ILE A 65 5.539 -2.494 -7.543 1.00 0.00 H new ATOM 0 HB ILE A 65 7.512 -0.543 -6.280 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.523 -0.271 -6.755 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.254 -0.630 -5.203 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.919 0.926 -8.166 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.673 -0.587 -8.722 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.911 -0.369 -8.854 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.700 1.746 -5.382 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.461 1.523 -5.258 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.719 1.888 -6.834 1.00 0.00 H new ATOM 1025 N ALA A 66 7.532 -3.102 -8.954 1.00 0.00 N ATOM 1026 CA ALA A 66 8.624 -3.671 -9.734 1.00 0.00 C ATOM 1027 C ALA A 66 9.898 -2.847 -9.578 1.00 0.00 C ATOM 1028 O ALA A 66 10.956 -3.380 -9.245 1.00 0.00 O ATOM 1029 CB ALA A 66 8.231 -3.767 -11.200 1.00 0.00 C ATOM 0 H ALA A 66 6.692 -2.895 -9.494 1.00 0.00 H new ATOM 0 HA ALA A 66 8.823 -4.674 -9.356 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.056 -4.194 -11.771 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.353 -4.404 -11.300 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.002 -2.772 -11.581 1.00 0.00 H new ATOM 1035 N ASN A 67 9.789 -1.545 -9.821 1.00 0.00 N ATOM 1036 CA ASN A 67 10.933 -0.648 -9.708 1.00 0.00 C ATOM 1037 C ASN A 67 10.557 0.619 -8.946 1.00 0.00 C ATOM 1038 O ASN A 67 9.625 1.329 -9.322 1.00 0.00 O ATOM 1039 CB ASN A 67 11.460 -0.284 -11.098 1.00 0.00 C ATOM 1040 CG ASN A 67 12.453 -1.302 -11.624 1.00 0.00 C ATOM 1041 OD1 ASN A 67 13.664 -1.141 -11.472 1.00 0.00 O ATOM 1042 ND2 ASN A 67 11.943 -2.357 -12.249 1.00 0.00 N ATOM 0 H ASN A 67 8.920 -1.088 -10.097 1.00 0.00 H new ATOM 0 HA ASN A 67 11.716 -1.165 -9.153 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.623 -0.205 -11.792 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.935 0.696 -11.058 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.562 -3.075 -12.626 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.932 -2.449 -12.352 1.00 0.00 H new ATOM 1049 N ALA A 68 11.291 0.897 -7.874 1.00 0.00 N ATOM 1050 CA ALA A 68 11.038 2.080 -7.060 1.00 0.00 C ATOM 1051 C ALA A 68 11.372 3.356 -7.826 1.00 0.00 C ATOM 1052 O ALA A 68 12.532 3.764 -7.896 1.00 0.00 O ATOM 1053 CB ALA A 68 11.837 2.013 -5.768 1.00 0.00 C ATOM 0 H ALA A 68 12.066 0.319 -7.549 1.00 0.00 H new ATOM 0 HA ALA A 68 9.976 2.102 -6.816 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.638 2.903 -5.171 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.546 1.126 -5.206 1.00 0.00 H new ATOM 0 HB3 ALA A 68 12.901 1.962 -6.000 1.00 0.00 H new ATOM 1059 N LEU A 69 10.350 3.980 -8.401 1.00 0.00 N ATOM 1060 CA LEU A 69 10.536 5.210 -9.163 1.00 0.00 C ATOM 1061 C LEU A 69 10.233 6.434 -8.305 1.00 0.00 C ATOM 1062 O LEU A 69 9.404 6.379 -7.396 1.00 0.00 O ATOM 1063 CB LEU A 69 9.639 5.206 -10.402 1.00 0.00 C ATOM 1064 CG LEU A 69 9.854 4.054 -11.384 1.00 0.00 C ATOM 1065 CD1 LEU A 69 8.604 3.823 -12.219 1.00 0.00 C ATOM 1066 CD2 LEU A 69 11.052 4.333 -12.279 1.00 0.00 C ATOM 0 H LEU A 69 9.384 3.655 -8.354 1.00 0.00 H new ATOM 0 HA LEU A 69 11.579 5.259 -9.477 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.600 5.187 -10.073 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.787 6.144 -10.936 1.00 0.00 H new ATOM 0 HG LEU A 69 10.056 3.148 -10.813 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.776 2.999 -12.912 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.769 3.577 -11.563 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.370 4.727 -12.781 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.190 3.503 -12.971 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.880 5.250 -12.842 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.946 4.446 -11.666 1.00 0.00 H new ATOM 1078 N THR A 70 10.909 7.540 -8.601 1.00 0.00 N ATOM 1079 CA THR A 70 10.712 8.778 -7.857 1.00 0.00 C ATOM 1080 C THR A 70 9.234 9.017 -7.570 1.00 0.00 C ATOM 1081 O THR A 70 8.880 9.652 -6.578 1.00 0.00 O ATOM 1082 CB THR A 70 11.277 9.989 -8.623 1.00 0.00 C ATOM 1083 OG1 THR A 70 12.548 9.658 -9.194 1.00 0.00 O ATOM 1084 CG2 THR A 70 11.427 11.190 -7.701 1.00 0.00 C ATOM 0 H THR A 70 11.598 7.604 -9.351 1.00 0.00 H new ATOM 0 HA THR A 70 11.250 8.670 -6.915 1.00 0.00 H new ATOM 0 HB THR A 70 10.578 10.246 -9.419 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.900 10.433 -9.681 1.00 0.00 H new ATOM 0 HG21 THR A 70 11.828 12.033 -8.264 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.453 11.458 -7.291 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.108 10.941 -6.887 1.00 0.00 H new ATOM 1092 N GLU A 71 8.375 8.504 -8.446 1.00 0.00 N ATOM 1093 CA GLU A 71 6.935 8.663 -8.285 1.00 0.00 C ATOM 1094 C GLU A 71 6.473 8.113 -6.939 1.00 0.00 C ATOM 1095 O GLU A 71 5.730 8.769 -6.210 1.00 0.00 O ATOM 1096 CB GLU A 71 6.191 7.955 -9.419 1.00 0.00 C ATOM 1097 CG GLU A 71 6.546 8.480 -10.801 1.00 0.00 C ATOM 1098 CD GLU A 71 5.790 9.745 -11.156 1.00 0.00 C ATOM 1099 OE1 GLU A 71 6.009 10.776 -10.485 1.00 0.00 O ATOM 1100 OE2 GLU A 71 4.979 9.705 -12.105 1.00 0.00 O ATOM 0 H GLU A 71 8.652 7.975 -9.273 1.00 0.00 H new ATOM 0 HA GLU A 71 6.708 9.728 -8.320 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.412 6.888 -9.377 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.118 8.065 -9.262 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.617 8.676 -10.847 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.331 7.712 -11.544 1.00 0.00 H new ATOM 1107 N ASP A 72 6.920 6.904 -6.616 1.00 0.00 N ATOM 1108 CA ASP A 72 6.554 6.265 -5.357 1.00 0.00 C ATOM 1109 C ASP A 72 6.672 7.246 -4.195 1.00 0.00 C ATOM 1110 O ASP A 72 5.929 7.157 -3.219 1.00 0.00 O ATOM 1111 CB ASP A 72 7.442 5.045 -5.104 1.00 0.00 C ATOM 1112 CG ASP A 72 7.603 4.744 -3.627 1.00 0.00 C ATOM 1113 OD1 ASP A 72 8.248 5.550 -2.924 1.00 0.00 O ATOM 1114 OD2 ASP A 72 7.085 3.702 -3.174 1.00 0.00 O ATOM 0 H ASP A 72 7.536 6.347 -7.208 1.00 0.00 H new ATOM 0 HA ASP A 72 5.516 5.941 -5.430 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.013 4.177 -5.604 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.423 5.215 -5.546 1.00 0.00 H new ATOM 1119 N GLU A 73 7.612 8.179 -4.308 1.00 0.00 N ATOM 1120 CA GLU A 73 7.828 9.175 -3.265 1.00 0.00 C ATOM 1121 C GLU A 73 6.554 9.974 -3.004 1.00 0.00 C ATOM 1122 O GLU A 73 6.092 10.723 -3.864 1.00 0.00 O ATOM 1123 CB GLU A 73 8.965 10.120 -3.659 1.00 0.00 C ATOM 1124 CG GLU A 73 9.585 10.851 -2.480 1.00 0.00 C ATOM 1125 CD GLU A 73 10.169 12.195 -2.868 1.00 0.00 C ATOM 1126 OE1 GLU A 73 9.408 13.054 -3.358 1.00 0.00 O ATOM 1127 OE2 GLU A 73 11.389 12.387 -2.682 1.00 0.00 O ATOM 0 H GLU A 73 8.236 8.266 -5.110 1.00 0.00 H new ATOM 0 HA GLU A 73 8.102 8.652 -2.349 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.740 9.549 -4.170 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.587 10.853 -4.372 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.828 10.997 -1.709 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.368 10.231 -2.044 1.00 0.00 H new ATOM 1134 N GLY A 74 5.992 9.809 -1.811 1.00 0.00 N ATOM 1135 CA GLY A 74 4.778 10.520 -1.458 1.00 0.00 C ATOM 1136 C GLY A 74 4.101 9.940 -0.232 1.00 0.00 C ATOM 1137 O GLY A 74 4.769 9.473 0.691 1.00 0.00 O ATOM 0 H GLY A 74 6.356 9.195 -1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 74 5.015 11.568 -1.277 1.00 0.00 H new ATOM 0 HA3 GLY A 74 4.086 10.490 -2.299 1.00 0.00 H new ATOM 1141 N ASP A 75 2.773 9.969 -0.221 1.00 0.00 N ATOM 1142 CA ASP A 75 2.006 9.442 0.901 1.00 0.00 C ATOM 1143 C ASP A 75 1.098 8.301 0.451 1.00 0.00 C ATOM 1144 O ASP A 75 0.282 8.465 -0.456 1.00 0.00 O ATOM 1145 CB ASP A 75 1.171 10.552 1.542 1.00 0.00 C ATOM 1146 CG ASP A 75 0.480 10.097 2.812 1.00 0.00 C ATOM 1147 OD1 ASP A 75 1.078 9.294 3.559 1.00 0.00 O ATOM 1148 OD2 ASP A 75 -0.660 10.544 3.060 1.00 0.00 O ATOM 0 H ASP A 75 2.205 10.352 -0.977 1.00 0.00 H new ATOM 0 HA ASP A 75 2.708 9.054 1.639 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.814 11.403 1.767 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.423 10.898 0.829 1.00 0.00 H new ATOM 1153 N TYR A 76 1.247 7.146 1.090 1.00 0.00 N ATOM 1154 CA TYR A 76 0.444 5.977 0.753 1.00 0.00 C ATOM 1155 C TYR A 76 -0.695 5.792 1.751 1.00 0.00 C ATOM 1156 O TYR A 76 -0.484 5.826 2.964 1.00 0.00 O ATOM 1157 CB TYR A 76 1.319 4.723 0.722 1.00 0.00 C ATOM 1158 CG TYR A 76 1.973 4.474 -0.619 1.00 0.00 C ATOM 1159 CD1 TYR A 76 3.045 5.248 -1.044 1.00 0.00 C ATOM 1160 CD2 TYR A 76 1.517 3.466 -1.460 1.00 0.00 C ATOM 1161 CE1 TYR A 76 3.646 5.024 -2.269 1.00 0.00 C ATOM 1162 CE2 TYR A 76 2.112 3.235 -2.685 1.00 0.00 C ATOM 1163 CZ TYR A 76 3.176 4.017 -3.085 1.00 0.00 C ATOM 1164 OH TYR A 76 3.771 3.790 -4.305 1.00 0.00 O ATOM 0 H TYR A 76 1.917 6.994 1.844 1.00 0.00 H new ATOM 0 HA TYR A 76 0.014 6.136 -0.236 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.094 4.812 1.484 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.710 3.858 0.986 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.415 6.038 -0.407 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.683 2.853 -1.151 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.479 5.635 -2.585 1.00 0.00 H new ATOM 0 HE2 TYR A 76 1.746 2.447 -3.326 1.00 0.00 H new ATOM 0 HH TYR A 76 4.718 4.038 -4.258 1.00 0.00 H new ATOM 1174 N VAL A 77 -1.903 5.596 1.232 1.00 0.00 N ATOM 1175 CA VAL A 77 -3.076 5.404 2.076 1.00 0.00 C ATOM 1176 C VAL A 77 -3.895 4.204 1.614 1.00 0.00 C ATOM 1177 O VAL A 77 -4.173 4.050 0.424 1.00 0.00 O ATOM 1178 CB VAL A 77 -3.975 6.654 2.081 1.00 0.00 C ATOM 1179 CG1 VAL A 77 -5.204 6.424 2.947 1.00 0.00 C ATOM 1180 CG2 VAL A 77 -3.195 7.869 2.561 1.00 0.00 C ATOM 0 H VAL A 77 -2.095 5.566 0.231 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.712 5.224 3.087 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.309 6.844 1.061 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.828 7.318 2.939 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.773 5.581 2.555 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.894 6.208 3.969 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.846 8.743 2.558 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.831 7.691 3.573 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.349 8.044 1.896 1.00 0.00 H new ATOM 1190 N PHE A 78 -4.279 3.356 2.562 1.00 0.00 N ATOM 1191 CA PHE A 78 -5.067 2.168 2.252 1.00 0.00 C ATOM 1192 C PHE A 78 -6.509 2.335 2.722 1.00 0.00 C ATOM 1193 O PHE A 78 -6.761 2.796 3.834 1.00 0.00 O ATOM 1194 CB PHE A 78 -4.445 0.933 2.906 1.00 0.00 C ATOM 1195 CG PHE A 78 -5.372 -0.247 2.961 1.00 0.00 C ATOM 1196 CD1 PHE A 78 -5.663 -0.970 1.815 1.00 0.00 C ATOM 1197 CD2 PHE A 78 -5.952 -0.635 4.158 1.00 0.00 C ATOM 1198 CE1 PHE A 78 -6.517 -2.056 1.863 1.00 0.00 C ATOM 1199 CE2 PHE A 78 -6.806 -1.720 4.212 1.00 0.00 C ATOM 1200 CZ PHE A 78 -7.088 -2.432 3.063 1.00 0.00 C ATOM 0 H PHE A 78 -4.058 3.469 3.551 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.069 2.035 1.170 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.547 0.654 2.355 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.132 1.187 3.919 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.218 -0.682 0.874 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.734 -0.083 5.060 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -6.738 -2.610 0.963 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -7.252 -2.011 5.152 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.754 -3.281 3.103 1.00 0.00 H new ATOM 1210 N ALA A 79 -7.451 1.956 1.865 1.00 0.00 N ATOM 1211 CA ALA A 79 -8.868 2.061 2.191 1.00 0.00 C ATOM 1212 C ALA A 79 -9.629 0.818 1.743 1.00 0.00 C ATOM 1213 O ALA A 79 -9.657 0.470 0.562 1.00 0.00 O ATOM 1214 CB ALA A 79 -9.466 3.306 1.554 1.00 0.00 C ATOM 0 H ALA A 79 -7.259 1.573 0.939 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.960 2.140 3.274 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.524 3.371 1.806 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.949 4.190 1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.354 3.250 0.471 1.00 0.00 H new ATOM 1220 N PRO A 80 -10.260 0.130 2.706 1.00 0.00 N ATOM 1221 CA PRO A 80 -11.033 -1.086 2.434 1.00 0.00 C ATOM 1222 C PRO A 80 -12.316 -0.797 1.663 1.00 0.00 C ATOM 1223 O PRO A 80 -12.798 0.336 1.644 1.00 0.00 O ATOM 1224 CB PRO A 80 -11.357 -1.620 3.831 1.00 0.00 C ATOM 1225 CG PRO A 80 -11.319 -0.420 4.714 1.00 0.00 C ATOM 1226 CD PRO A 80 -10.269 0.487 4.135 1.00 0.00 C ATOM 0 HA PRO A 80 -10.480 -1.790 1.811 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -12.336 -2.098 3.855 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -10.630 -2.368 4.148 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -12.290 0.075 4.742 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -11.073 -0.697 5.739 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -10.518 1.537 4.285 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.296 0.321 4.597 1.00 0.00 H new ATOM 1234 N ASP A 81 -12.865 -1.827 1.029 1.00 0.00 N ATOM 1235 CA ASP A 81 -14.094 -1.684 0.258 1.00 0.00 C ATOM 1236 C ASP A 81 -15.314 -2.005 1.115 1.00 0.00 C ATOM 1237 O ASP A 81 -16.419 -2.173 0.600 1.00 0.00 O ATOM 1238 CB ASP A 81 -14.061 -2.598 -0.968 1.00 0.00 C ATOM 1239 CG ASP A 81 -14.936 -2.086 -2.095 1.00 0.00 C ATOM 1240 OD1 ASP A 81 -14.554 -1.085 -2.735 1.00 0.00 O ATOM 1241 OD2 ASP A 81 -16.005 -2.687 -2.337 1.00 0.00 O ATOM 0 H ASP A 81 -12.478 -2.771 1.034 1.00 0.00 H new ATOM 0 HA ASP A 81 -14.168 -0.648 -0.073 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.034 -2.689 -1.322 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.390 -3.597 -0.682 1.00 0.00 H new ATOM 1246 N ALA A 82 -15.105 -2.090 2.424 1.00 0.00 N ATOM 1247 CA ALA A 82 -16.188 -2.391 3.353 1.00 0.00 C ATOM 1248 C ALA A 82 -16.313 -1.308 4.419 1.00 0.00 C ATOM 1249 O ALA A 82 -17.414 -0.992 4.871 1.00 0.00 O ATOM 1250 CB ALA A 82 -15.966 -3.749 4.001 1.00 0.00 C ATOM 0 H ALA A 82 -14.196 -1.955 2.866 1.00 0.00 H new ATOM 0 HA ALA A 82 -17.120 -2.419 2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -16.782 -3.960 4.692 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -15.934 -4.519 3.230 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -15.022 -3.742 4.546 1.00 0.00 H new ATOM 1256 N TYR A 83 -15.178 -0.744 4.818 1.00 0.00 N ATOM 1257 CA TYR A 83 -15.161 0.302 5.835 1.00 0.00 C ATOM 1258 C TYR A 83 -14.491 1.565 5.305 1.00 0.00 C ATOM 1259 O TYR A 83 -13.921 1.569 4.215 1.00 0.00 O ATOM 1260 CB TYR A 83 -14.432 -0.188 7.088 1.00 0.00 C ATOM 1261 CG TYR A 83 -14.803 -1.597 7.492 1.00 0.00 C ATOM 1262 CD1 TYR A 83 -14.256 -2.695 6.838 1.00 0.00 C ATOM 1263 CD2 TYR A 83 -15.701 -1.831 8.526 1.00 0.00 C ATOM 1264 CE1 TYR A 83 -14.592 -3.984 7.204 1.00 0.00 C ATOM 1265 CE2 TYR A 83 -16.042 -3.117 8.899 1.00 0.00 C ATOM 1266 CZ TYR A 83 -15.485 -4.190 8.235 1.00 0.00 C ATOM 1267 OH TYR A 83 -15.823 -5.472 8.602 1.00 0.00 O ATOM 0 H TYR A 83 -14.259 -0.993 4.453 1.00 0.00 H new ATOM 0 HA TYR A 83 -16.193 0.540 6.093 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -13.357 -0.140 6.915 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -14.653 0.488 7.914 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -13.557 -2.538 6.030 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -16.140 -0.993 9.047 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -14.158 -4.826 6.686 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -16.741 -3.281 9.706 1.00 0.00 H new ATOM 0 HH TYR A 83 -16.462 -5.442 9.345 1.00 0.00 H new ATOM 1277 N ASN A 84 -14.564 2.638 6.086 1.00 0.00 N ATOM 1278 CA ASN A 84 -13.965 3.910 5.697 1.00 0.00 C ATOM 1279 C ASN A 84 -12.670 4.159 6.464 1.00 0.00 C ATOM 1280 O ASN A 84 -12.383 5.285 6.871 1.00 0.00 O ATOM 1281 CB ASN A 84 -14.946 5.057 5.944 1.00 0.00 C ATOM 1282 CG ASN A 84 -15.172 5.316 7.421 1.00 0.00 C ATOM 1283 OD1 ASN A 84 -14.709 4.558 8.274 1.00 0.00 O ATOM 1284 ND2 ASN A 84 -15.886 6.392 7.730 1.00 0.00 N ATOM 0 H ASN A 84 -15.032 2.652 6.992 1.00 0.00 H new ATOM 0 HA ASN A 84 -13.733 3.863 4.633 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -14.567 5.964 5.473 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -15.899 4.825 5.468 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -16.070 6.618 8.707 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -16.250 6.992 6.990 1.00 0.00 H new ATOM 1291 N VAL A 85 -11.891 3.099 6.659 1.00 0.00 N ATOM 1292 CA VAL A 85 -10.626 3.203 7.376 1.00 0.00 C ATOM 1293 C VAL A 85 -9.524 3.745 6.472 1.00 0.00 C ATOM 1294 O VAL A 85 -9.602 3.641 5.248 1.00 0.00 O ATOM 1295 CB VAL A 85 -10.187 1.838 7.940 1.00 0.00 C ATOM 1296 CG1 VAL A 85 -8.772 1.919 8.494 1.00 0.00 C ATOM 1297 CG2 VAL A 85 -11.161 1.365 9.008 1.00 0.00 C ATOM 0 H VAL A 85 -12.114 2.159 6.331 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.787 3.895 8.203 1.00 0.00 H new ATOM 0 HB VAL A 85 -10.192 1.110 7.129 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -8.479 0.946 8.888 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.086 2.210 7.699 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -8.736 2.660 9.293 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -10.836 0.400 9.395 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.190 2.091 9.821 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.156 1.265 8.574 1.00 0.00 H new ATOM 1307 N THR A 86 -8.496 4.325 7.084 1.00 0.00 N ATOM 1308 CA THR A 86 -7.378 4.885 6.335 1.00 0.00 C ATOM 1309 C THR A 86 -6.061 4.670 7.072 1.00 0.00 C ATOM 1310 O THR A 86 -5.909 5.073 8.226 1.00 0.00 O ATOM 1311 CB THR A 86 -7.571 6.392 6.081 1.00 0.00 C ATOM 1312 OG1 THR A 86 -7.743 7.081 7.324 1.00 0.00 O ATOM 1313 CG2 THR A 86 -8.776 6.640 5.187 1.00 0.00 C ATOM 0 H THR A 86 -8.415 4.419 8.096 1.00 0.00 H new ATOM 0 HA THR A 86 -7.345 4.364 5.378 1.00 0.00 H new ATOM 0 HB THR A 86 -6.681 6.770 5.578 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.293 6.584 8.039 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.892 7.711 5.022 1.00 0.00 H new ATOM 0 HG22 THR A 86 -8.628 6.139 4.230 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.672 6.248 5.667 1.00 0.00 H new ATOM 1321 N LEU A 87 -5.109 4.033 6.398 1.00 0.00 N ATOM 1322 CA LEU A 87 -3.802 3.765 6.989 1.00 0.00 C ATOM 1323 C LEU A 87 -2.722 4.616 6.329 1.00 0.00 C ATOM 1324 O LEU A 87 -2.273 4.341 5.217 1.00 0.00 O ATOM 1325 CB LEU A 87 -3.454 2.282 6.852 1.00 0.00 C ATOM 1326 CG LEU A 87 -4.178 1.331 7.805 1.00 0.00 C ATOM 1327 CD1 LEU A 87 -5.685 1.447 7.631 1.00 0.00 C ATOM 1328 CD2 LEU A 87 -3.722 -0.102 7.578 1.00 0.00 C ATOM 0 H LEU A 87 -5.218 3.693 5.443 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.848 4.025 8.047 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.669 1.972 5.829 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.381 2.166 7.001 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.928 1.612 8.828 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.184 0.763 8.317 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.998 2.469 7.845 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.954 1.192 6.606 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.248 -0.764 8.265 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.942 -0.395 6.552 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.649 -0.175 7.754 1.00 0.00 H new ATOM 1340 N PRO A 88 -2.292 5.675 7.031 1.00 0.00 N ATOM 1341 CA PRO A 88 -1.257 6.587 6.535 1.00 0.00 C ATOM 1342 C PRO A 88 0.120 5.933 6.492 1.00 0.00 C ATOM 1343 O PRO A 88 0.482 5.168 7.386 1.00 0.00 O ATOM 1344 CB PRO A 88 -1.274 7.731 7.552 1.00 0.00 C ATOM 1345 CG PRO A 88 -1.804 7.118 8.802 1.00 0.00 C ATOM 1346 CD PRO A 88 -2.783 6.064 8.364 1.00 0.00 C ATOM 0 HA PRO A 88 -1.452 6.906 5.511 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.275 8.140 7.704 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.907 8.552 7.214 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.000 6.681 9.394 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.290 7.866 9.428 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.796 5.217 9.050 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.800 6.454 8.320 1.00 0.00 H new ATOM 1354 N ALA A 89 0.884 6.239 5.449 1.00 0.00 N ATOM 1355 CA ALA A 89 2.221 5.682 5.292 1.00 0.00 C ATOM 1356 C ALA A 89 3.140 6.658 4.564 1.00 0.00 C ATOM 1357 O ALA A 89 2.726 7.330 3.619 1.00 0.00 O ATOM 1358 CB ALA A 89 2.158 4.358 4.545 1.00 0.00 C ATOM 0 H ALA A 89 0.599 6.870 4.700 1.00 0.00 H new ATOM 0 HA ALA A 89 2.633 5.507 6.286 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.164 3.954 4.435 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.543 3.653 5.105 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.721 4.517 3.559 1.00 0.00 H new ATOM 1364 N LYS A 90 4.389 6.732 5.011 1.00 0.00 N ATOM 1365 CA LYS A 90 5.368 7.626 4.403 1.00 0.00 C ATOM 1366 C LYS A 90 6.431 6.835 3.647 1.00 0.00 C ATOM 1367 O LYS A 90 6.961 5.847 4.154 1.00 0.00 O ATOM 1368 CB LYS A 90 6.030 8.495 5.474 1.00 0.00 C ATOM 1369 CG LYS A 90 6.941 9.570 4.908 1.00 0.00 C ATOM 1370 CD LYS A 90 6.146 10.751 4.375 1.00 0.00 C ATOM 1371 CE LYS A 90 5.866 11.772 5.467 1.00 0.00 C ATOM 1372 NZ LYS A 90 4.638 12.565 5.182 1.00 0.00 N ATOM 0 H LYS A 90 4.748 6.183 5.793 1.00 0.00 H new ATOM 0 HA LYS A 90 4.845 8.269 3.694 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.254 8.968 6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.607 7.856 6.142 1.00 0.00 H new ATOM 0 HG2 LYS A 90 7.627 9.912 5.683 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.549 9.149 4.108 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.698 11.226 3.564 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.204 10.397 3.956 1.00 0.00 H new ATOM 0 HE2 LYS A 90 5.754 11.260 6.423 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.719 12.444 5.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 4.481 13.250 5.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.754 13.074 4.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 3.820 11.926 5.115 1.00 0.00 H new ATOM 1386 N VAL A 91 6.738 7.277 2.431 1.00 0.00 N ATOM 1387 CA VAL A 91 7.739 6.612 1.606 1.00 0.00 C ATOM 1388 C VAL A 91 8.700 7.622 0.988 1.00 0.00 C ATOM 1389 O VAL A 91 8.348 8.783 0.778 1.00 0.00 O ATOM 1390 CB VAL A 91 7.083 5.789 0.482 1.00 0.00 C ATOM 1391 CG1 VAL A 91 6.894 4.344 0.918 1.00 0.00 C ATOM 1392 CG2 VAL A 91 5.756 6.409 0.073 1.00 0.00 C ATOM 0 H VAL A 91 6.307 8.093 1.996 1.00 0.00 H new ATOM 0 HA VAL A 91 8.294 5.940 2.261 1.00 0.00 H new ATOM 0 HB VAL A 91 7.744 5.798 -0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.429 3.778 0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.863 3.906 1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 91 6.254 4.311 1.800 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.306 5.814 -0.722 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.085 6.433 0.932 1.00 0.00 H new ATOM 0 HG23 VAL A 91 5.924 7.425 -0.284 1.00 0.00 H new ATOM 1402 N HIS A 92 9.916 7.171 0.697 1.00 0.00 N ATOM 1403 CA HIS A 92 10.929 8.035 0.101 1.00 0.00 C ATOM 1404 C HIS A 92 11.863 7.234 -0.802 1.00 0.00 C ATOM 1405 O HIS A 92 12.147 6.065 -0.538 1.00 0.00 O ATOM 1406 CB HIS A 92 11.736 8.739 1.192 1.00 0.00 C ATOM 1407 CG HIS A 92 12.764 9.688 0.659 1.00 0.00 C ATOM 1408 ND1 HIS A 92 12.773 11.034 0.957 1.00 0.00 N ATOM 1409 CD2 HIS A 92 13.824 9.478 -0.157 1.00 0.00 C ATOM 1410 CE1 HIS A 92 13.792 11.612 0.346 1.00 0.00 C ATOM 1411 NE2 HIS A 92 14.446 10.689 -0.336 1.00 0.00 N ATOM 0 H HIS A 92 10.224 6.213 0.864 1.00 0.00 H new ATOM 0 HA HIS A 92 10.420 8.785 -0.505 1.00 0.00 H new ATOM 0 HB2 HIS A 92 11.053 9.285 1.843 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.231 7.988 1.808 1.00 0.00 H new ATOM 0 HD2 HIS A 92 14.124 8.534 -0.587 1.00 0.00 H new ATOM 0 HE1 HIS A 92 14.047 12.660 0.396 1.00 0.00 H new ATOM 0 HE2 HIS A 92 15.278 10.850 -0.904 1.00 0.00 H new ATOM 1420 N VAL A 93 12.338 7.870 -1.868 1.00 0.00 N ATOM 1421 CA VAL A 93 13.240 7.218 -2.809 1.00 0.00 C ATOM 1422 C VAL A 93 14.586 7.931 -2.864 1.00 0.00 C ATOM 1423 O VAL A 93 14.654 9.158 -2.782 1.00 0.00 O ATOM 1424 CB VAL A 93 12.637 7.173 -4.225 1.00 0.00 C ATOM 1425 CG1 VAL A 93 12.456 8.580 -4.774 1.00 0.00 C ATOM 1426 CG2 VAL A 93 13.511 6.339 -5.150 1.00 0.00 C ATOM 0 H VAL A 93 12.113 8.837 -2.101 1.00 0.00 H new ATOM 0 HA VAL A 93 13.387 6.199 -2.452 1.00 0.00 H new ATOM 0 HB VAL A 93 11.655 6.702 -4.168 1.00 0.00 H new ATOM 0 HG11 VAL A 93 12.029 8.528 -5.775 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.786 9.141 -4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.423 9.081 -4.818 1.00 0.00 H new ATOM 0 HG21 VAL A 93 13.070 6.318 -6.146 1.00 0.00 H new ATOM 0 HG22 VAL A 93 14.507 6.778 -5.203 1.00 0.00 H new ATOM 0 HG23 VAL A 93 13.583 5.322 -4.764 1.00 0.00 H new ATOM 1436 N ILE A 94 15.656 7.155 -3.004 1.00 0.00 N ATOM 1437 CA ILE A 94 17.001 7.713 -3.073 1.00 0.00 C ATOM 1438 C ILE A 94 17.528 7.702 -4.503 1.00 0.00 C ATOM 1439 O ILE A 94 17.561 6.659 -5.156 1.00 0.00 O ATOM 1440 CB ILE A 94 17.978 6.936 -2.171 1.00 0.00 C ATOM 1441 CG1 ILE A 94 17.451 6.883 -0.736 1.00 0.00 C ATOM 1442 CG2 ILE A 94 19.358 7.577 -2.210 1.00 0.00 C ATOM 1443 CD1 ILE A 94 18.321 6.072 0.198 1.00 0.00 C ATOM 0 H ILE A 94 15.617 6.138 -3.072 1.00 0.00 H new ATOM 0 HA ILE A 94 16.935 8.743 -2.722 1.00 0.00 H new ATOM 0 HB ILE A 94 18.061 5.916 -2.545 1.00 0.00 H new ATOM 0 HG12 ILE A 94 17.367 7.899 -0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 94 16.446 6.461 -0.742 1.00 0.00 H new ATOM 0 HG21 ILE A 94 20.038 7.017 -1.568 1.00 0.00 H new ATOM 0 HG22 ILE A 94 19.735 7.568 -3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 94 19.291 8.606 -1.857 1.00 0.00 H new ATOM 0 HD11 ILE A 94 17.886 6.078 1.198 1.00 0.00 H new ATOM 0 HD12 ILE A 94 18.385 5.046 -0.163 1.00 0.00 H new ATOM 0 HD13 ILE A 94 19.320 6.507 0.234 1.00 0.00 H new