USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 666 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 84 GLN : amide:sc= -0.183 X(o=0.92,f=0.97) USER MOD Set 1.2: A 88 THR OG1 : rot 72:sc= 1.1 USER MOD Single : A 11 LYS NZ :NH3+ 156:sc= 1.22 (180deg=1.01) USER MOD Single : A 14 GLN : amide:sc= -0.25 X(o=-0.25,f=0) USER MOD Single : A 20 ASN : amide:sc= 0.817 K(o=0.82,f=-8.5!) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.0124 F(o=-1.9!,f=-0.012) USER MOD Single : A 25 MET CE :methyl -106:sc= -0.0797 (180deg=-1.08) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.00461 USER MOD Single : A 44 SER OG : rot -75:sc= 1.29 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot -172:sc= 0.0185 USER MOD Single : A 50 SER OG : rot -90:sc= 1.25 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : +bothHN:sc= 2.36 K(o=2.4,f=-8!) USER MOD Single : A 58 LYS NZ :NH3+ 177:sc= 1.23 (180deg=1.09) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -121:sc= -0.556 (180deg=-1.41) USER MOD Single : A 71 GLN : amide:sc= -0.41 K(o=-0.41,f=-2.8!) USER MOD Single : A 73 TYR OH : rot 180:sc= -2.46! USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 163:sc= -0.0544 (180deg=-0.332) USER MOD Single : A 76 LYS NZ :NH3+ -169:sc= -0.0255 (180deg=-0.166) USER MOD Single : A 81 ASN : amide:sc= -0.183 K(o=-0.18,f=-2.7!) USER MOD Single : A 83 ASN : amide:sc= -1.59 K(o=-1.6,f=-4.6!) USER MOD Single : A 89 THR OG1 : rot -157:sc= 0.831 USER MOD ----------------------------------------------------------------- ATOM 84 N ASP A 6 -8.946 9.193 6.094 1.00 0.00 N ATOM 85 CA ASP A 6 -9.610 8.038 5.543 1.00 0.00 C ATOM 86 C ASP A 6 -9.672 6.915 6.566 1.00 0.00 C ATOM 87 O ASP A 6 -8.650 6.596 7.203 1.00 0.00 O ATOM 88 CB ASP A 6 -8.902 7.544 4.301 1.00 0.00 C ATOM 89 CG ASP A 6 -9.783 6.629 3.516 1.00 0.00 C ATOM 90 OD1 ASP A 6 -9.838 5.429 3.823 1.00 0.00 O ATOM 91 OD2 ASP A 6 -10.499 7.136 2.598 1.00 0.00 O ATOM 0 HA ASP A 6 -10.623 8.339 5.276 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.609 8.392 3.683 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -7.987 7.023 4.582 1.00 0.00 H new ATOM 96 N PRO A 7 -10.856 6.295 6.757 1.00 0.00 N ATOM 97 CA PRO A 7 -11.025 5.212 7.718 1.00 0.00 C ATOM 98 C PRO A 7 -10.208 3.964 7.367 1.00 0.00 C ATOM 99 O PRO A 7 -9.728 3.271 8.258 1.00 0.00 O ATOM 100 CB PRO A 7 -12.524 4.882 7.670 1.00 0.00 C ATOM 101 CG PRO A 7 -13.168 6.020 6.958 1.00 0.00 C ATOM 102 CD PRO A 7 -12.123 6.609 6.061 1.00 0.00 C ATOM 0 HA PRO A 7 -10.675 5.519 8.703 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -12.701 3.943 7.146 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.932 4.768 8.675 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -14.027 5.679 6.380 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -13.534 6.763 7.666 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -12.154 6.168 5.065 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -12.258 7.684 5.938 1.00 0.00 H new ATOM 110 N GLU A 8 -10.002 3.704 6.088 1.00 0.00 N ATOM 111 CA GLU A 8 -9.316 2.489 5.693 1.00 0.00 C ATOM 112 C GLU A 8 -7.828 2.623 5.972 1.00 0.00 C ATOM 113 O GLU A 8 -7.154 1.654 6.346 1.00 0.00 O ATOM 114 CB GLU A 8 -9.571 2.160 4.215 1.00 0.00 C ATOM 115 CG GLU A 8 -11.049 2.083 3.829 1.00 0.00 C ATOM 116 CD GLU A 8 -11.836 1.065 4.627 1.00 0.00 C ATOM 117 OE1 GLU A 8 -12.308 1.391 5.729 1.00 0.00 O ATOM 118 OE2 GLU A 8 -12.039 -0.073 4.148 1.00 0.00 O ATOM 0 H GLU A 8 -10.294 4.306 5.318 1.00 0.00 H new ATOM 0 HA GLU A 8 -9.711 1.661 6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.086 2.917 3.598 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -9.097 1.207 3.981 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -11.502 3.065 3.964 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.126 1.839 2.769 1.00 0.00 H new ATOM 125 N PHE A 9 -7.337 3.840 5.844 1.00 0.00 N ATOM 126 CA PHE A 9 -5.933 4.132 6.065 1.00 0.00 C ATOM 127 C PHE A 9 -5.586 3.999 7.535 1.00 0.00 C ATOM 128 O PHE A 9 -4.550 3.416 7.894 1.00 0.00 O ATOM 129 CB PHE A 9 -5.590 5.531 5.547 1.00 0.00 C ATOM 130 CG PHE A 9 -4.136 5.886 5.672 1.00 0.00 C ATOM 131 CD1 PHE A 9 -3.216 5.413 4.753 1.00 0.00 C ATOM 132 CD2 PHE A 9 -3.689 6.688 6.711 1.00 0.00 C ATOM 133 CE1 PHE A 9 -1.883 5.735 4.866 1.00 0.00 C ATOM 134 CE2 PHE A 9 -2.356 7.011 6.828 1.00 0.00 C ATOM 135 CZ PHE A 9 -1.454 6.537 5.906 1.00 0.00 C ATOM 0 H PHE A 9 -7.897 4.652 5.585 1.00 0.00 H new ATOM 0 HA PHE A 9 -5.337 3.408 5.510 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.883 5.602 4.499 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.182 6.265 6.094 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -3.547 4.785 3.939 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.395 7.064 7.437 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -1.173 5.361 4.143 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.020 7.635 7.643 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.408 6.792 5.994 1.00 0.00 H new ATOM 145 N VAL A 10 -6.450 4.509 8.393 1.00 0.00 N ATOM 146 CA VAL A 10 -6.210 4.417 9.813 1.00 0.00 C ATOM 147 C VAL A 10 -6.251 2.947 10.268 1.00 0.00 C ATOM 148 O VAL A 10 -5.507 2.543 11.166 1.00 0.00 O ATOM 149 CB VAL A 10 -7.136 5.342 10.674 1.00 0.00 C ATOM 150 CG1 VAL A 10 -8.584 4.920 10.629 1.00 0.00 C ATOM 151 CG2 VAL A 10 -6.628 5.448 12.109 1.00 0.00 C ATOM 0 H VAL A 10 -7.313 4.985 8.132 1.00 0.00 H new ATOM 0 HA VAL A 10 -5.206 4.802 9.991 1.00 0.00 H new ATOM 0 HB VAL A 10 -7.092 6.335 10.226 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -9.179 5.596 11.243 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.941 4.955 9.600 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.679 3.904 11.012 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.291 6.096 12.683 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.608 4.457 12.562 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -5.622 5.867 12.109 1.00 0.00 H new ATOM 161 N LYS A 11 -7.112 2.145 9.631 1.00 0.00 N ATOM 162 CA LYS A 11 -7.177 0.709 9.907 1.00 0.00 C ATOM 163 C LYS A 11 -5.845 0.053 9.607 1.00 0.00 C ATOM 164 O LYS A 11 -5.348 -0.703 10.415 1.00 0.00 O ATOM 165 CB LYS A 11 -8.265 0.034 9.097 1.00 0.00 C ATOM 166 CG LYS A 11 -9.658 0.454 9.464 1.00 0.00 C ATOM 167 CD LYS A 11 -10.651 -0.150 8.511 1.00 0.00 C ATOM 168 CE LYS A 11 -12.049 0.314 8.806 1.00 0.00 C ATOM 169 NZ LYS A 11 -12.997 -0.127 7.773 1.00 0.00 N ATOM 0 H LYS A 11 -7.771 2.467 8.923 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.413 0.591 10.965 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.100 0.247 8.041 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.178 -1.045 9.222 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.884 0.140 10.483 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.736 1.541 9.441 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.385 0.119 7.489 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.606 -1.237 8.577 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.363 -0.071 9.776 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.065 1.402 8.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.956 -0.162 8.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.979 0.542 6.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.728 -1.074 7.436 1.00 0.00 H new ATOM 183 N LEU A 12 -5.257 0.396 8.457 1.00 0.00 N ATOM 184 CA LEU A 12 -3.941 -0.128 8.041 1.00 0.00 C ATOM 185 C LEU A 12 -2.870 0.155 9.072 1.00 0.00 C ATOM 186 O LEU A 12 -2.038 -0.700 9.376 1.00 0.00 O ATOM 187 CB LEU A 12 -3.501 0.481 6.710 1.00 0.00 C ATOM 188 CG LEU A 12 -4.246 0.028 5.469 1.00 0.00 C ATOM 189 CD1 LEU A 12 -3.791 0.852 4.291 1.00 0.00 C ATOM 190 CD2 LEU A 12 -3.969 -1.442 5.202 1.00 0.00 C ATOM 0 H LEU A 12 -5.673 1.042 7.786 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.060 -1.206 7.935 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.594 1.564 6.785 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.443 0.261 6.570 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.317 0.162 5.621 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.323 0.531 3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.001 1.905 4.480 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.719 0.717 4.145 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.508 -1.758 4.309 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.900 -1.589 5.051 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.300 -2.035 6.054 1.00 0.00 H new ATOM 202 N ARG A 13 -2.911 1.339 9.629 1.00 0.00 N ATOM 203 CA ARG A 13 -1.912 1.746 10.586 1.00 0.00 C ATOM 204 C ARG A 13 -2.068 0.997 11.913 1.00 0.00 C ATOM 205 O ARG A 13 -1.091 0.751 12.622 1.00 0.00 O ATOM 206 CB ARG A 13 -1.926 3.263 10.762 1.00 0.00 C ATOM 207 CG ARG A 13 -0.770 3.773 11.579 1.00 0.00 C ATOM 208 CD ARG A 13 -0.579 5.262 11.415 1.00 0.00 C ATOM 209 NE ARG A 13 0.570 5.717 12.186 1.00 0.00 N ATOM 210 CZ ARG A 13 1.810 5.895 11.711 1.00 0.00 C ATOM 211 NH1 ARG A 13 2.086 5.706 10.417 1.00 0.00 N ATOM 212 NH2 ARG A 13 2.771 6.256 12.535 1.00 0.00 N ATOM 0 H ARG A 13 -3.627 2.040 9.436 1.00 0.00 H new ATOM 0 HA ARG A 13 -0.930 1.475 10.198 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.907 3.737 9.781 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.860 3.559 11.240 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.939 3.542 12.631 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.142 3.255 11.281 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.436 5.502 10.362 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.476 5.788 11.743 1.00 0.00 H new ATOM 0 HE ARG A 13 0.417 5.918 13.174 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.347 5.422 9.774 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.036 5.846 10.072 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.568 6.397 13.525 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.719 6.394 12.184 1.00 0.00 H new ATOM 226 N GLN A 14 -3.287 0.626 12.230 1.00 0.00 N ATOM 227 CA GLN A 14 -3.563 -0.160 13.422 1.00 0.00 C ATOM 228 C GLN A 14 -3.245 -1.636 13.145 1.00 0.00 C ATOM 229 O GLN A 14 -2.771 -2.365 14.021 1.00 0.00 O ATOM 230 CB GLN A 14 -5.025 0.006 13.830 1.00 0.00 C ATOM 231 CG GLN A 14 -5.417 1.444 14.154 1.00 0.00 C ATOM 232 CD GLN A 14 -6.903 1.600 14.380 1.00 0.00 C ATOM 233 OE1 GLN A 14 -7.398 1.482 15.508 1.00 0.00 O ATOM 234 NE2 GLN A 14 -7.625 1.858 13.316 1.00 0.00 N ATOM 0 H GLN A 14 -4.113 0.856 11.677 1.00 0.00 H new ATOM 0 HA GLN A 14 -2.936 0.189 14.242 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.661 -0.361 13.024 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.222 -0.619 14.701 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.881 1.772 15.044 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.106 2.095 13.337 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.176 1.947 12.404 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -8.635 1.969 13.400 1.00 0.00 H new ATOM 314 N VAL A 19 3.685 -7.957 6.928 1.00 0.00 N ATOM 315 CA VAL A 19 4.279 -8.458 5.715 1.00 0.00 C ATOM 316 C VAL A 19 5.593 -7.723 5.492 1.00 0.00 C ATOM 317 O VAL A 19 5.831 -6.684 6.123 1.00 0.00 O ATOM 318 CB VAL A 19 3.342 -8.281 4.484 1.00 0.00 C ATOM 319 CG1 VAL A 19 2.127 -9.174 4.615 1.00 0.00 C ATOM 320 CG2 VAL A 19 2.895 -6.838 4.352 1.00 0.00 C ATOM 0 HA VAL A 19 4.450 -9.529 5.823 1.00 0.00 H new ATOM 0 HB VAL A 19 3.902 -8.561 3.592 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.481 -9.039 3.747 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.445 -10.215 4.673 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.578 -8.912 5.520 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.241 -6.737 3.486 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.355 -6.541 5.251 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.767 -6.197 4.225 1.00 0.00 H new ATOM 330 N ASN A 20 6.438 -8.253 4.631 1.00 0.00 N ATOM 331 CA ASN A 20 7.762 -7.676 4.363 1.00 0.00 C ATOM 332 C ASN A 20 7.637 -6.283 3.752 1.00 0.00 C ATOM 333 O ASN A 20 6.899 -6.083 2.779 1.00 0.00 O ATOM 334 CB ASN A 20 8.553 -8.581 3.402 1.00 0.00 C ATOM 335 CG ASN A 20 10.049 -8.250 3.293 1.00 0.00 C ATOM 336 OD1 ASN A 20 10.478 -7.101 3.430 1.00 0.00 O ATOM 337 ND2 ASN A 20 10.843 -9.255 3.040 1.00 0.00 N ATOM 0 H ASN A 20 6.237 -9.095 4.092 1.00 0.00 H new ATOM 0 HA ASN A 20 8.291 -7.599 5.313 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.447 -9.615 3.729 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.107 -8.512 2.410 1.00 0.00 H new ATOM 0 HD21 ASN A 20 11.847 -9.101 2.950 1.00 0.00 H new ATOM 0 HD22 ASN A 20 10.459 -10.194 2.932 1.00 0.00 H new ATOM 344 N PHE A 21 8.366 -5.336 4.321 1.00 0.00 N ATOM 345 CA PHE A 21 8.422 -3.966 3.835 1.00 0.00 C ATOM 346 C PHE A 21 8.863 -3.936 2.380 1.00 0.00 C ATOM 347 O PHE A 21 8.320 -3.192 1.571 1.00 0.00 O ATOM 348 CB PHE A 21 9.403 -3.134 4.694 1.00 0.00 C ATOM 349 CG PHE A 21 9.654 -1.739 4.163 1.00 0.00 C ATOM 350 CD1 PHE A 21 8.824 -0.694 4.503 1.00 0.00 C ATOM 351 CD2 PHE A 21 10.719 -1.490 3.304 1.00 0.00 C ATOM 352 CE1 PHE A 21 9.044 0.571 3.998 1.00 0.00 C ATOM 353 CE2 PHE A 21 10.945 -0.233 2.799 1.00 0.00 C ATOM 354 CZ PHE A 21 10.107 0.800 3.144 1.00 0.00 C ATOM 0 H PHE A 21 8.944 -5.500 5.145 1.00 0.00 H new ATOM 0 HA PHE A 21 7.424 -3.533 3.911 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.010 -3.061 5.708 1.00 0.00 H new ATOM 0 HB3 PHE A 21 10.353 -3.664 4.758 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.993 -0.866 5.171 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.380 -2.299 3.029 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.386 1.383 4.270 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.777 -0.057 2.134 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.279 1.790 2.748 1.00 0.00 H new ATOM 364 N ASN A 22 9.816 -4.795 2.047 1.00 0.00 N ATOM 365 CA ASN A 22 10.401 -4.822 0.702 1.00 0.00 C ATOM 366 C ASN A 22 9.413 -5.374 -0.281 1.00 0.00 C ATOM 367 O ASN A 22 9.434 -5.041 -1.465 1.00 0.00 O ATOM 368 CB ASN A 22 11.725 -5.616 0.638 1.00 0.00 C ATOM 369 CG ASN A 22 12.903 -4.954 1.360 1.00 0.00 C ATOM 370 OD1 ASN A 22 12.650 -4.282 2.451 1.00 0.00 O flip ATOM 371 ND2 ASN A 22 14.045 -5.086 0.937 1.00 0.00 N flip ATOM 0 H ASN A 22 10.205 -5.487 2.688 1.00 0.00 H new ATOM 0 HA ASN A 22 10.641 -3.792 0.440 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.562 -6.604 1.068 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.994 -5.764 -0.408 1.00 0.00 H new ATOM 0 HD21 ASN A 22 14.214 -5.616 0.082 1.00 0.00 H new ATOM 0 HD22 ASN A 22 14.827 -4.666 1.440 1.00 0.00 H new ATOM 378 N LEU A 23 8.558 -6.220 0.212 1.00 0.00 N ATOM 379 CA LEU A 23 7.526 -6.818 -0.579 1.00 0.00 C ATOM 380 C LEU A 23 6.482 -5.779 -0.906 1.00 0.00 C ATOM 381 O LEU A 23 6.130 -5.607 -2.060 1.00 0.00 O ATOM 382 CB LEU A 23 6.908 -7.966 0.186 1.00 0.00 C ATOM 383 CG LEU A 23 5.790 -8.735 -0.491 1.00 0.00 C ATOM 384 CD1 LEU A 23 6.280 -9.369 -1.796 1.00 0.00 C ATOM 385 CD2 LEU A 23 5.263 -9.784 0.474 1.00 0.00 C ATOM 0 H LEU A 23 8.558 -6.518 1.188 1.00 0.00 H new ATOM 0 HA LEU A 23 7.945 -7.201 -1.509 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.701 -8.672 0.432 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.525 -7.575 1.129 1.00 0.00 H new ATOM 0 HG LEU A 23 4.980 -8.054 -0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.462 -9.916 -2.265 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.628 -8.588 -2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.099 -10.055 -1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.458 -10.344 -0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.069 -10.466 0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.884 -9.295 1.371 1.00 0.00 H new ATOM 397 N VAL A 24 6.021 -5.054 0.115 1.00 0.00 N ATOM 398 CA VAL A 24 5.016 -4.002 -0.086 1.00 0.00 C ATOM 399 C VAL A 24 5.589 -2.916 -0.976 1.00 0.00 C ATOM 400 O VAL A 24 4.927 -2.444 -1.895 1.00 0.00 O ATOM 401 CB VAL A 24 4.538 -3.375 1.245 1.00 0.00 C ATOM 402 CG1 VAL A 24 3.439 -2.337 1.004 1.00 0.00 C ATOM 403 CG2 VAL A 24 4.045 -4.446 2.183 1.00 0.00 C ATOM 0 H VAL A 24 6.323 -5.172 1.082 1.00 0.00 H new ATOM 0 HA VAL A 24 4.151 -4.468 -0.558 1.00 0.00 H new ATOM 0 HB VAL A 24 5.389 -2.869 1.702 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.123 -1.914 1.957 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.823 -1.543 0.364 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.588 -2.814 0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.712 -3.989 3.115 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.213 -4.978 1.722 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.853 -5.147 2.391 1.00 0.00 H new ATOM 413 N MET A 25 6.845 -2.564 -0.719 1.00 0.00 N ATOM 414 CA MET A 25 7.561 -1.583 -1.521 1.00 0.00 C ATOM 415 C MET A 25 7.586 -2.018 -2.976 1.00 0.00 C ATOM 416 O MET A 25 7.384 -1.211 -3.858 1.00 0.00 O ATOM 417 CB MET A 25 8.986 -1.365 -0.977 1.00 0.00 C ATOM 418 CG MET A 25 9.821 -0.357 -1.754 1.00 0.00 C ATOM 419 SD MET A 25 11.499 -0.188 -1.095 1.00 0.00 S ATOM 420 CE MET A 25 12.187 -1.814 -1.435 1.00 0.00 C ATOM 0 H MET A 25 7.392 -2.951 0.050 1.00 0.00 H new ATOM 0 HA MET A 25 7.038 -0.629 -1.458 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.917 -1.036 0.060 1.00 0.00 H new ATOM 0 HB3 MET A 25 9.508 -2.322 -0.973 1.00 0.00 H new ATOM 0 HG2 MET A 25 9.874 -0.663 -2.799 1.00 0.00 H new ATOM 0 HG3 MET A 25 9.326 0.614 -1.731 1.00 0.00 H new ATOM 0 HE1 MET A 25 12.258 -2.381 -0.507 1.00 0.00 H new ATOM 0 HE2 MET A 25 11.541 -2.344 -2.135 1.00 0.00 H new ATOM 0 HE3 MET A 25 13.180 -1.705 -1.870 1.00 0.00 H new ATOM 430 N GLN A 26 7.774 -3.307 -3.201 1.00 0.00 N ATOM 431 CA GLN A 26 7.766 -3.868 -4.538 1.00 0.00 C ATOM 432 C GLN A 26 6.365 -3.843 -5.135 1.00 0.00 C ATOM 433 O GLN A 26 6.209 -3.531 -6.299 1.00 0.00 O ATOM 434 CB GLN A 26 8.326 -5.285 -4.543 1.00 0.00 C ATOM 435 CG GLN A 26 8.225 -5.990 -5.888 1.00 0.00 C ATOM 436 CD GLN A 26 8.814 -7.378 -5.885 1.00 0.00 C ATOM 437 OE1 GLN A 26 8.834 -8.061 -4.859 1.00 0.00 O ATOM 438 NE2 GLN A 26 9.274 -7.815 -7.026 1.00 0.00 N ATOM 0 H GLN A 26 7.936 -3.992 -2.463 1.00 0.00 H new ATOM 0 HA GLN A 26 8.411 -3.247 -5.159 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.373 -5.251 -4.241 1.00 0.00 H new ATOM 0 HB3 GLN A 26 7.797 -5.876 -3.795 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.177 -6.049 -6.180 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.733 -5.390 -6.643 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.239 -7.218 -7.852 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.668 -8.753 -7.091 1.00 0.00 H new ATOM 447 N ILE A 27 5.356 -4.174 -4.332 1.00 0.00 N ATOM 448 CA ILE A 27 3.954 -4.138 -4.784 1.00 0.00 C ATOM 449 C ILE A 27 3.618 -2.725 -5.291 1.00 0.00 C ATOM 450 O ILE A 27 3.080 -2.546 -6.394 1.00 0.00 O ATOM 451 CB ILE A 27 2.964 -4.524 -3.630 1.00 0.00 C ATOM 452 CG1 ILE A 27 3.240 -5.946 -3.096 1.00 0.00 C ATOM 453 CG2 ILE A 27 1.502 -4.387 -4.064 1.00 0.00 C ATOM 454 CD1 ILE A 27 3.105 -7.055 -4.119 1.00 0.00 C ATOM 0 H ILE A 27 5.476 -4.471 -3.364 1.00 0.00 H new ATOM 0 HA ILE A 27 3.839 -4.867 -5.586 1.00 0.00 H new ATOM 0 HB ILE A 27 3.139 -3.818 -2.818 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.249 -5.973 -2.685 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.555 -6.147 -2.273 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.849 -4.664 -3.236 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.304 -3.355 -4.353 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.311 -5.045 -4.912 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.318 -8.014 -3.647 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.089 -7.064 -4.515 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.810 -6.887 -4.933 1.00 0.00 H new ATOM 466 N LEU A 28 3.992 -1.747 -4.492 1.00 0.00 N ATOM 467 CA LEU A 28 3.779 -0.348 -4.798 1.00 0.00 C ATOM 468 C LEU A 28 4.619 0.069 -6.004 1.00 0.00 C ATOM 469 O LEU A 28 4.151 0.768 -6.884 1.00 0.00 O ATOM 470 CB LEU A 28 4.167 0.497 -3.584 1.00 0.00 C ATOM 471 CG LEU A 28 3.416 0.195 -2.282 1.00 0.00 C ATOM 472 CD1 LEU A 28 3.992 0.996 -1.145 1.00 0.00 C ATOM 473 CD2 LEU A 28 1.940 0.489 -2.426 1.00 0.00 C ATOM 0 H LEU A 28 4.459 -1.904 -3.599 1.00 0.00 H new ATOM 0 HA LEU A 28 2.727 -0.192 -5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.234 0.367 -3.402 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.012 1.547 -3.833 1.00 0.00 H new ATOM 0 HG LEU A 28 3.535 -0.866 -2.065 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.448 0.770 -0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.043 0.740 -1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.903 2.059 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.431 0.266 -1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.801 1.542 -2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.522 -0.128 -3.221 1.00 0.00 H new ATOM 485 N ASP A 29 5.855 -0.388 -6.030 1.00 0.00 N ATOM 486 CA ASP A 29 6.816 -0.055 -7.092 1.00 0.00 C ATOM 487 C ASP A 29 6.347 -0.597 -8.425 1.00 0.00 C ATOM 488 O ASP A 29 6.394 0.086 -9.439 1.00 0.00 O ATOM 489 CB ASP A 29 8.167 -0.679 -6.773 1.00 0.00 C ATOM 490 CG ASP A 29 9.284 -0.195 -7.671 1.00 0.00 C ATOM 491 OD1 ASP A 29 9.823 0.927 -7.450 1.00 0.00 O ATOM 492 OD2 ASP A 29 9.674 -0.929 -8.583 1.00 0.00 O ATOM 0 H ASP A 29 6.235 -1.007 -5.314 1.00 0.00 H new ATOM 0 HA ASP A 29 6.899 1.030 -7.148 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.424 -0.459 -5.737 1.00 0.00 H new ATOM 0 HB3 ASP A 29 8.087 -1.763 -6.859 1.00 0.00 H new ATOM 497 N GLU A 30 5.869 -1.817 -8.390 1.00 0.00 N ATOM 498 CA GLU A 30 5.422 -2.538 -9.574 1.00 0.00 C ATOM 499 C GLU A 30 4.243 -1.806 -10.250 1.00 0.00 C ATOM 500 O GLU A 30 4.240 -1.614 -11.464 1.00 0.00 O ATOM 501 CB GLU A 30 5.064 -3.990 -9.197 1.00 0.00 C ATOM 502 CG GLU A 30 5.236 -5.001 -10.327 1.00 0.00 C ATOM 503 CD GLU A 30 5.086 -6.435 -9.853 1.00 0.00 C ATOM 504 OE1 GLU A 30 6.005 -6.949 -9.148 1.00 0.00 O ATOM 505 OE2 GLU A 30 4.079 -7.093 -10.177 1.00 0.00 O ATOM 0 H GLU A 30 5.775 -2.353 -7.527 1.00 0.00 H new ATOM 0 HA GLU A 30 6.232 -2.571 -10.302 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.685 -4.297 -8.355 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.029 -4.018 -8.856 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.499 -4.800 -11.105 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.220 -4.872 -10.779 1.00 0.00 H new ATOM 512 N ILE A 31 3.274 -1.342 -9.462 1.00 0.00 N ATOM 513 CA ILE A 31 2.154 -0.591 -10.043 1.00 0.00 C ATOM 514 C ILE A 31 2.628 0.806 -10.469 1.00 0.00 C ATOM 515 O ILE A 31 2.192 1.340 -11.489 1.00 0.00 O ATOM 516 CB ILE A 31 0.916 -0.457 -9.090 1.00 0.00 C ATOM 517 CG1 ILE A 31 1.251 0.349 -7.831 1.00 0.00 C ATOM 518 CG2 ILE A 31 0.384 -1.826 -8.712 1.00 0.00 C ATOM 519 CD1 ILE A 31 0.085 0.585 -6.910 1.00 0.00 C ATOM 0 H ILE A 31 3.237 -1.465 -8.450 1.00 0.00 H new ATOM 0 HA ILE A 31 1.819 -1.166 -10.906 1.00 0.00 H new ATOM 0 HB ILE A 31 0.143 0.086 -9.634 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.033 -0.172 -7.279 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.661 1.313 -8.131 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.475 -1.713 -8.050 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.080 -2.360 -9.613 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.164 -2.391 -8.201 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.415 1.163 -6.046 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.692 1.136 -7.440 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.314 -0.373 -6.575 1.00 0.00 H new ATOM 531 N GLU A 32 3.551 1.362 -9.690 1.00 0.00 N ATOM 532 CA GLU A 32 4.119 2.679 -9.928 1.00 0.00 C ATOM 533 C GLU A 32 4.823 2.726 -11.276 1.00 0.00 C ATOM 534 O GLU A 32 4.600 3.640 -12.073 1.00 0.00 O ATOM 535 CB GLU A 32 5.107 3.015 -8.812 1.00 0.00 C ATOM 536 CG GLU A 32 5.754 4.371 -8.926 1.00 0.00 C ATOM 537 CD GLU A 32 6.721 4.638 -7.803 1.00 0.00 C ATOM 538 OE1 GLU A 32 6.301 4.657 -6.624 1.00 0.00 O ATOM 539 OE2 GLU A 32 7.923 4.848 -8.078 1.00 0.00 O ATOM 0 H GLU A 32 3.929 0.900 -8.863 1.00 0.00 H new ATOM 0 HA GLU A 32 3.313 3.413 -9.937 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.587 2.956 -7.856 1.00 0.00 H new ATOM 0 HB3 GLU A 32 5.889 2.255 -8.797 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.278 4.442 -9.879 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.982 5.141 -8.929 1.00 0.00 H new ATOM 546 N LEU A 33 5.663 1.746 -11.521 1.00 0.00 N ATOM 547 CA LEU A 33 6.412 1.667 -12.759 1.00 0.00 C ATOM 548 C LEU A 33 5.510 1.353 -13.955 1.00 0.00 C ATOM 549 O LEU A 33 5.814 1.728 -15.082 1.00 0.00 O ATOM 550 CB LEU A 33 7.625 0.691 -12.635 1.00 0.00 C ATOM 551 CG LEU A 33 7.355 -0.812 -12.330 1.00 0.00 C ATOM 552 CD1 LEU A 33 6.863 -1.585 -13.549 1.00 0.00 C ATOM 553 CD2 LEU A 33 8.591 -1.474 -11.749 1.00 0.00 C ATOM 0 H LEU A 33 5.847 0.982 -10.871 1.00 0.00 H new ATOM 0 HA LEU A 33 6.831 2.654 -12.953 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.185 0.742 -13.568 1.00 0.00 H new ATOM 0 HB3 LEU A 33 8.277 1.074 -11.850 1.00 0.00 H new ATOM 0 HG LEU A 33 6.553 -0.839 -11.592 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.692 -2.626 -13.275 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.931 -1.146 -13.906 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.613 -1.536 -14.338 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.379 -2.523 -11.544 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.412 -1.402 -12.463 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.871 -0.972 -10.823 1.00 0.00 H new ATOM 565 N ASP A 34 4.423 0.651 -13.712 1.00 0.00 N ATOM 566 CA ASP A 34 3.492 0.327 -14.785 1.00 0.00 C ATOM 567 C ASP A 34 2.628 1.526 -15.173 1.00 0.00 C ATOM 568 O ASP A 34 2.510 1.871 -16.356 1.00 0.00 O ATOM 569 CB ASP A 34 2.608 -0.865 -14.429 1.00 0.00 C ATOM 570 CG ASP A 34 1.691 -1.243 -15.572 1.00 0.00 C ATOM 571 OD1 ASP A 34 2.135 -1.982 -16.485 1.00 0.00 O ATOM 572 OD2 ASP A 34 0.515 -0.799 -15.586 1.00 0.00 O ATOM 0 H ASP A 34 4.160 0.295 -12.793 1.00 0.00 H new ATOM 0 HA ASP A 34 4.101 0.055 -15.647 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.235 -1.718 -14.168 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.012 -0.626 -13.548 1.00 0.00 H new ATOM 577 N LEU A 35 2.042 2.156 -14.180 1.00 0.00 N ATOM 578 CA LEU A 35 1.122 3.270 -14.390 1.00 0.00 C ATOM 579 C LEU A 35 1.864 4.555 -14.773 1.00 0.00 C ATOM 580 O LEU A 35 1.568 5.182 -15.806 1.00 0.00 O ATOM 581 CB LEU A 35 0.317 3.508 -13.110 1.00 0.00 C ATOM 582 CG LEU A 35 -0.756 4.591 -13.166 1.00 0.00 C ATOM 583 CD1 LEU A 35 -1.896 4.179 -14.081 1.00 0.00 C ATOM 584 CD2 LEU A 35 -1.257 4.907 -11.772 1.00 0.00 C ATOM 0 H LEU A 35 2.185 1.916 -13.199 1.00 0.00 H new ATOM 0 HA LEU A 35 0.458 3.009 -15.214 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.161 2.570 -12.830 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.015 3.761 -12.312 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.313 5.496 -13.581 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.648 4.968 -14.104 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.513 4.014 -15.088 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.347 3.259 -13.709 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.022 5.681 -11.827 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.682 4.008 -11.326 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.428 5.259 -11.159 1.00 0.00 H new ATOM 664 N ILE A 41 -5.237 2.535 -12.879 1.00 0.00 N ATOM 665 CA ILE A 41 -4.394 2.022 -11.829 1.00 0.00 C ATOM 666 C ILE A 41 -4.922 0.684 -11.335 1.00 0.00 C ATOM 667 O ILE A 41 -4.152 -0.167 -10.913 1.00 0.00 O ATOM 668 CB ILE A 41 -4.227 3.035 -10.662 1.00 0.00 C ATOM 669 CG1 ILE A 41 -3.329 2.461 -9.541 1.00 0.00 C ATOM 670 CG2 ILE A 41 -5.582 3.466 -10.137 1.00 0.00 C ATOM 671 CD1 ILE A 41 -3.028 3.428 -8.418 1.00 0.00 C ATOM 0 HA ILE A 41 -3.399 1.868 -12.247 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.722 3.921 -11.046 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.812 1.578 -9.123 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.388 2.131 -9.981 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.447 4.175 -9.320 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.149 3.939 -10.939 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.126 2.594 -9.774 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.393 2.940 -7.678 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.514 4.302 -8.818 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.960 3.740 -7.947 1.00 0.00 H new ATOM 683 N LYS A 42 -6.238 0.480 -11.455 1.00 0.00 N ATOM 684 CA LYS A 42 -6.845 -0.782 -11.060 1.00 0.00 C ATOM 685 C LYS A 42 -6.265 -1.925 -11.879 1.00 0.00 C ATOM 686 O LYS A 42 -6.025 -2.995 -11.364 1.00 0.00 O ATOM 687 CB LYS A 42 -8.380 -0.758 -11.198 1.00 0.00 C ATOM 688 CG LYS A 42 -8.901 -0.532 -12.612 1.00 0.00 C ATOM 689 CD LYS A 42 -10.419 -0.618 -12.681 1.00 0.00 C ATOM 690 CE LYS A 42 -10.943 -1.990 -12.244 1.00 0.00 C ATOM 691 NZ LYS A 42 -12.411 -2.111 -12.413 1.00 0.00 N ATOM 0 H LYS A 42 -6.894 1.171 -11.820 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.614 -0.936 -10.006 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.777 -1.704 -10.829 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.775 0.027 -10.553 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.577 0.447 -12.966 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.465 -1.273 -13.282 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.854 0.154 -12.046 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.747 -0.414 -13.700 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.447 -2.768 -12.825 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.685 -2.159 -11.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.719 -3.055 -12.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.887 -1.387 -11.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.657 -1.976 -13.414 1.00 0.00 H new ATOM 705 N THR A 43 -5.987 -1.658 -13.141 1.00 0.00 N ATOM 706 CA THR A 43 -5.456 -2.643 -14.029 1.00 0.00 C ATOM 707 C THR A 43 -4.014 -2.974 -13.629 1.00 0.00 C ATOM 708 O THR A 43 -3.600 -4.139 -13.663 1.00 0.00 O ATOM 709 CB THR A 43 -5.523 -2.117 -15.458 1.00 0.00 C ATOM 710 OG1 THR A 43 -6.785 -1.462 -15.614 1.00 0.00 O ATOM 711 CG2 THR A 43 -5.457 -3.261 -16.450 1.00 0.00 C ATOM 0 H THR A 43 -6.128 -0.743 -13.569 1.00 0.00 H new ATOM 0 HA THR A 43 -6.044 -3.559 -13.968 1.00 0.00 H new ATOM 0 HB THR A 43 -4.687 -1.442 -15.641 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.860 -1.109 -16.525 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.506 -2.866 -17.465 1.00 0.00 H new ATOM 0 HG22 THR A 43 -4.521 -3.804 -16.317 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.296 -3.937 -16.283 1.00 0.00 H new ATOM 719 N SER A 44 -3.272 -1.954 -13.207 1.00 0.00 N ATOM 720 CA SER A 44 -1.929 -2.147 -12.709 1.00 0.00 C ATOM 721 C SER A 44 -1.975 -2.979 -11.419 1.00 0.00 C ATOM 722 O SER A 44 -1.162 -3.887 -11.228 1.00 0.00 O ATOM 723 CB SER A 44 -1.255 -0.799 -12.487 1.00 0.00 C ATOM 724 OG SER A 44 -1.269 -0.045 -13.690 1.00 0.00 O ATOM 0 H SER A 44 -3.587 -0.984 -13.203 1.00 0.00 H new ATOM 0 HA SER A 44 -1.337 -2.693 -13.444 1.00 0.00 H new ATOM 0 HB2 SER A 44 -1.771 -0.251 -11.699 1.00 0.00 H new ATOM 0 HB3 SER A 44 -0.228 -0.947 -12.153 1.00 0.00 H new ATOM 0 HG SER A 44 -0.601 -0.406 -14.310 1.00 0.00 H new ATOM 730 N ILE A 45 -2.969 -2.681 -10.564 1.00 0.00 N ATOM 731 CA ILE A 45 -3.227 -3.448 -9.347 1.00 0.00 C ATOM 732 C ILE A 45 -3.420 -4.914 -9.729 1.00 0.00 C ATOM 733 O ILE A 45 -2.770 -5.798 -9.175 1.00 0.00 O ATOM 734 CB ILE A 45 -4.517 -2.934 -8.601 1.00 0.00 C ATOM 735 CG1 ILE A 45 -4.360 -1.485 -8.092 1.00 0.00 C ATOM 736 CG2 ILE A 45 -4.926 -3.862 -7.458 1.00 0.00 C ATOM 737 CD1 ILE A 45 -3.288 -1.290 -7.038 1.00 0.00 C ATOM 0 H ILE A 45 -3.612 -1.901 -10.703 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.378 -3.328 -8.674 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.317 -2.940 -9.342 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.135 -0.840 -8.941 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.315 -1.154 -7.684 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -5.819 -3.469 -6.972 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.135 -4.856 -7.853 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.115 -3.924 -6.732 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.254 -0.241 -6.744 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -3.518 -1.904 -6.167 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.320 -1.585 -7.444 1.00 0.00 H new ATOM 749 N ILE A 46 -4.269 -5.139 -10.726 1.00 0.00 N ATOM 750 CA ILE A 46 -4.575 -6.470 -11.227 1.00 0.00 C ATOM 751 C ILE A 46 -3.310 -7.236 -11.603 1.00 0.00 C ATOM 752 O ILE A 46 -3.119 -8.335 -11.126 1.00 0.00 O ATOM 753 CB ILE A 46 -5.559 -6.439 -12.438 1.00 0.00 C ATOM 754 CG1 ILE A 46 -6.893 -5.813 -12.017 1.00 0.00 C ATOM 755 CG2 ILE A 46 -5.781 -7.846 -13.000 1.00 0.00 C ATOM 756 CD1 ILE A 46 -7.898 -5.661 -13.139 1.00 0.00 C ATOM 0 H ILE A 46 -4.768 -4.394 -11.212 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.069 -6.993 -10.408 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.116 -5.829 -13.225 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.335 -6.425 -11.231 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.699 -4.831 -11.585 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.470 -7.797 -13.843 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.829 -8.259 -13.334 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -6.202 -8.486 -12.224 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.811 -5.210 -12.751 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.481 -5.022 -13.917 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -8.127 -6.641 -13.558 1.00 0.00 H new ATOM 768 N TYR A 47 -2.425 -6.633 -12.407 1.00 0.00 N ATOM 769 CA TYR A 47 -1.201 -7.334 -12.874 1.00 0.00 C ATOM 770 C TYR A 47 -0.359 -7.804 -11.700 1.00 0.00 C ATOM 771 O TYR A 47 0.151 -8.924 -11.675 1.00 0.00 O ATOM 772 CB TYR A 47 -0.294 -6.432 -13.709 1.00 0.00 C ATOM 773 CG TYR A 47 -0.924 -5.711 -14.851 1.00 0.00 C ATOM 774 CD1 TYR A 47 -1.796 -6.336 -15.726 1.00 0.00 C ATOM 775 CD2 TYR A 47 -0.633 -4.385 -15.047 1.00 0.00 C ATOM 776 CE1 TYR A 47 -2.359 -5.641 -16.773 1.00 0.00 C ATOM 777 CE2 TYR A 47 -1.176 -3.682 -16.076 1.00 0.00 C ATOM 778 CZ TYR A 47 -2.045 -4.310 -16.949 1.00 0.00 C ATOM 779 OH TYR A 47 -2.599 -3.608 -18.004 1.00 0.00 O ATOM 0 H TYR A 47 -2.522 -5.677 -12.749 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.561 -8.170 -13.474 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.151 -5.691 -13.045 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.521 -7.040 -14.101 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -2.037 -7.379 -15.586 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.044 -3.888 -14.368 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.041 -6.134 -17.450 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.930 -2.639 -16.211 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.277 -2.683 -17.986 1.00 0.00 H new ATOM 789 N VAL A 48 -0.227 -6.945 -10.742 1.00 0.00 N ATOM 790 CA VAL A 48 0.611 -7.181 -9.610 1.00 0.00 C ATOM 791 C VAL A 48 -0.024 -8.197 -8.666 1.00 0.00 C ATOM 792 O VAL A 48 0.614 -9.177 -8.273 1.00 0.00 O ATOM 793 CB VAL A 48 0.919 -5.846 -8.900 1.00 0.00 C ATOM 794 CG1 VAL A 48 1.838 -6.040 -7.700 1.00 0.00 C ATOM 795 CG2 VAL A 48 1.537 -4.875 -9.905 1.00 0.00 C ATOM 0 H VAL A 48 -0.706 -6.045 -10.723 1.00 0.00 H new ATOM 0 HA VAL A 48 1.555 -7.609 -9.946 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.015 -5.433 -8.518 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.030 -5.076 -7.229 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.362 -6.707 -6.981 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.781 -6.476 -8.030 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.757 -3.929 -9.409 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.459 -5.300 -10.302 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.836 -4.702 -10.722 1.00 0.00 H new ATOM 805 N TYR A 49 -1.287 -8.011 -8.376 1.00 0.00 N ATOM 806 CA TYR A 49 -2.020 -8.874 -7.468 1.00 0.00 C ATOM 807 C TYR A 49 -2.253 -10.264 -8.066 1.00 0.00 C ATOM 808 O TYR A 49 -2.393 -11.244 -7.343 1.00 0.00 O ATOM 809 CB TYR A 49 -3.339 -8.212 -7.012 1.00 0.00 C ATOM 810 CG TYR A 49 -3.157 -7.016 -6.060 1.00 0.00 C ATOM 811 CD1 TYR A 49 -2.089 -6.131 -6.199 1.00 0.00 C ATOM 812 CD2 TYR A 49 -4.043 -6.794 -5.016 1.00 0.00 C ATOM 813 CE1 TYR A 49 -1.914 -5.072 -5.349 1.00 0.00 C ATOM 814 CE2 TYR A 49 -3.870 -5.726 -4.151 1.00 0.00 C ATOM 815 CZ TYR A 49 -2.799 -4.869 -4.329 1.00 0.00 C ATOM 816 OH TYR A 49 -2.615 -3.805 -3.478 1.00 0.00 O ATOM 0 H TYR A 49 -1.846 -7.251 -8.764 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.403 -9.016 -6.581 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.887 -7.879 -7.893 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.956 -8.963 -6.518 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -1.380 -6.285 -6.999 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.879 -7.463 -4.876 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.079 -4.400 -5.485 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.567 -5.563 -3.342 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.248 -3.869 -2.733 1.00 0.00 H new ATOM 826 N SER A 50 -2.306 -10.342 -9.379 1.00 0.00 N ATOM 827 CA SER A 50 -2.494 -11.611 -10.052 1.00 0.00 C ATOM 828 C SER A 50 -1.193 -12.413 -10.133 1.00 0.00 C ATOM 829 O SER A 50 -1.221 -13.622 -10.296 1.00 0.00 O ATOM 830 CB SER A 50 -3.101 -11.406 -11.440 1.00 0.00 C ATOM 831 OG SER A 50 -2.298 -10.553 -12.235 1.00 0.00 O ATOM 0 H SER A 50 -2.221 -9.540 -10.003 1.00 0.00 H new ATOM 0 HA SER A 50 -3.195 -12.195 -9.455 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.212 -12.370 -11.936 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.100 -10.981 -11.343 1.00 0.00 H new ATOM 0 HG SER A 50 -2.578 -9.623 -12.103 1.00 0.00 H new ATOM 837 N SER A 51 -0.061 -11.748 -10.036 1.00 0.00 N ATOM 838 CA SER A 51 1.202 -12.452 -10.076 1.00 0.00 C ATOM 839 C SER A 51 1.684 -12.742 -8.647 1.00 0.00 C ATOM 840 O SER A 51 2.215 -13.818 -8.344 1.00 0.00 O ATOM 841 CB SER A 51 2.235 -11.631 -10.857 1.00 0.00 C ATOM 842 OG SER A 51 3.442 -12.349 -11.051 1.00 0.00 O ATOM 0 H SER A 51 0.011 -10.736 -9.930 1.00 0.00 H new ATOM 0 HA SER A 51 1.071 -13.405 -10.589 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.820 -11.351 -11.825 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.445 -10.706 -10.320 1.00 0.00 H new ATOM 0 HG SER A 51 4.075 -11.795 -11.553 1.00 0.00 H new ATOM 848 N HIS A 52 1.432 -11.807 -7.756 1.00 0.00 N ATOM 849 CA HIS A 52 1.848 -11.910 -6.358 1.00 0.00 C ATOM 850 C HIS A 52 0.732 -12.530 -5.526 1.00 0.00 C ATOM 851 O HIS A 52 0.485 -12.126 -4.391 1.00 0.00 O ATOM 852 CB HIS A 52 2.222 -10.521 -5.806 1.00 0.00 C ATOM 853 CG HIS A 52 3.489 -9.937 -6.378 1.00 0.00 C ATOM 854 ND1 HIS A 52 4.705 -10.051 -5.755 1.00 0.00 N ATOM 855 CD2 HIS A 52 3.711 -9.203 -7.497 1.00 0.00 C ATOM 856 CE1 HIS A 52 5.625 -9.412 -6.456 1.00 0.00 C ATOM 857 NE2 HIS A 52 5.043 -8.887 -7.521 1.00 0.00 N ATOM 0 H HIS A 52 0.930 -10.946 -7.974 1.00 0.00 H new ATOM 0 HA HIS A 52 2.727 -12.552 -6.299 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.400 -9.833 -6.003 1.00 0.00 H new ATOM 0 HB3 HIS A 52 2.327 -10.591 -4.723 1.00 0.00 H new ATOM 0 HD1 HIS A 52 4.874 -10.553 -4.883 1.00 0.00 H new ATOM 0 HD2 HIS A 52 2.973 -8.920 -8.233 1.00 0.00 H new ATOM 0 HE1 HIS A 52 6.672 -9.332 -6.203 1.00 0.00 H new ATOM 0 HE2 HIS A 52 5.510 -8.337 -8.242 1.00 0.00 H new ATOM 866 N LEU A 53 0.126 -13.556 -6.095 1.00 0.00 N ATOM 867 CA LEU A 53 -1.030 -14.271 -5.544 1.00 0.00 C ATOM 868 C LEU A 53 -0.881 -14.677 -4.091 1.00 0.00 C ATOM 869 O LEU A 53 -1.784 -14.437 -3.297 1.00 0.00 O ATOM 870 CB LEU A 53 -1.298 -15.524 -6.364 1.00 0.00 C ATOM 871 CG LEU A 53 -1.750 -15.317 -7.797 1.00 0.00 C ATOM 872 CD1 LEU A 53 -1.691 -16.623 -8.555 1.00 0.00 C ATOM 873 CD2 LEU A 53 -3.165 -14.770 -7.827 1.00 0.00 C ATOM 0 H LEU A 53 0.432 -13.936 -6.991 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.859 -13.566 -5.595 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.387 -16.123 -6.378 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.058 -16.111 -5.849 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.082 -14.599 -8.272 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.018 -16.462 -9.582 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.668 -16.998 -8.554 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.345 -17.352 -8.076 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.478 -14.626 -8.861 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.838 -15.475 -7.339 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.197 -13.815 -7.302 1.00 0.00 H new ATOM 885 N ASP A 54 0.252 -15.277 -3.741 1.00 0.00 N ATOM 886 CA ASP A 54 0.439 -15.814 -2.392 1.00 0.00 C ATOM 887 C ASP A 54 0.349 -14.722 -1.344 1.00 0.00 C ATOM 888 O ASP A 54 -0.333 -14.875 -0.327 1.00 0.00 O ATOM 889 CB ASP A 54 1.750 -16.575 -2.250 1.00 0.00 C ATOM 890 CG ASP A 54 1.800 -17.331 -0.944 1.00 0.00 C ATOM 891 OD1 ASP A 54 1.128 -18.387 -0.835 1.00 0.00 O ATOM 892 OD2 ASP A 54 2.505 -16.905 -0.005 1.00 0.00 O ATOM 0 H ASP A 54 1.050 -15.404 -4.364 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.373 -16.522 -2.227 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.862 -17.271 -3.081 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.586 -15.878 -2.303 1.00 0.00 H new ATOM 897 N GLU A 55 1.020 -13.620 -1.615 1.00 0.00 N ATOM 898 CA GLU A 55 0.999 -12.442 -0.785 1.00 0.00 C ATOM 899 C GLU A 55 -0.420 -11.977 -0.576 1.00 0.00 C ATOM 900 O GLU A 55 -0.888 -11.799 0.564 1.00 0.00 O ATOM 901 CB GLU A 55 1.765 -11.293 -1.458 1.00 0.00 C ATOM 902 CG GLU A 55 3.247 -11.511 -1.676 1.00 0.00 C ATOM 903 CD GLU A 55 3.631 -12.375 -2.866 1.00 0.00 C ATOM 904 OE1 GLU A 55 3.419 -13.602 -2.831 1.00 0.00 O ATOM 905 OE2 GLU A 55 4.210 -11.838 -3.829 1.00 0.00 O ATOM 0 H GLU A 55 1.609 -13.521 -2.442 1.00 0.00 H new ATOM 0 HA GLU A 55 1.464 -12.702 0.166 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.303 -11.094 -2.425 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.637 -10.396 -0.853 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.723 -10.537 -1.792 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.663 -11.964 -0.776 1.00 0.00 H new ATOM 912 N ILE A 56 -1.087 -11.808 -1.687 1.00 0.00 N ATOM 913 CA ILE A 56 -2.439 -11.289 -1.739 1.00 0.00 C ATOM 914 C ILE A 56 -3.413 -12.194 -0.973 1.00 0.00 C ATOM 915 O ILE A 56 -4.173 -11.712 -0.161 1.00 0.00 O ATOM 916 CB ILE A 56 -2.927 -11.097 -3.214 1.00 0.00 C ATOM 917 CG1 ILE A 56 -1.907 -10.286 -4.036 1.00 0.00 C ATOM 918 CG2 ILE A 56 -4.293 -10.420 -3.274 1.00 0.00 C ATOM 919 CD1 ILE A 56 -1.532 -8.937 -3.454 1.00 0.00 C ATOM 0 H ILE A 56 -0.702 -12.031 -2.605 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.423 -10.312 -1.257 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.019 -12.093 -3.648 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.000 -10.880 -4.147 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.312 -10.132 -5.036 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.597 -10.305 -4.315 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -5.026 -11.032 -2.748 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.234 -9.439 -2.803 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.810 -8.447 -4.107 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.424 -8.316 -3.370 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.092 -9.076 -2.466 1.00 0.00 H new ATOM 931 N ARG A 57 -3.342 -13.500 -1.200 1.00 0.00 N ATOM 932 CA ARG A 57 -4.267 -14.434 -0.540 1.00 0.00 C ATOM 933 C ARG A 57 -4.008 -14.574 0.963 1.00 0.00 C ATOM 934 O ARG A 57 -4.924 -14.891 1.721 1.00 0.00 O ATOM 935 CB ARG A 57 -4.284 -15.813 -1.220 1.00 0.00 C ATOM 936 CG ARG A 57 -2.952 -16.537 -1.191 1.00 0.00 C ATOM 937 CD ARG A 57 -2.996 -17.855 -1.944 1.00 0.00 C ATOM 938 NE ARG A 57 -3.908 -18.830 -1.337 1.00 0.00 N ATOM 939 CZ ARG A 57 -4.248 -20.005 -1.882 1.00 0.00 C ATOM 940 NH1 ARG A 57 -3.839 -20.323 -3.102 1.00 0.00 N ATOM 941 NH2 ARG A 57 -5.028 -20.834 -1.214 1.00 0.00 N ATOM 0 H ARG A 57 -2.666 -13.939 -1.826 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.256 -13.990 -0.654 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.034 -16.436 -0.733 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.596 -15.690 -2.257 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -2.184 -15.898 -1.626 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -2.664 -16.722 -0.156 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -3.304 -17.669 -2.973 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.993 -18.279 -1.983 1.00 0.00 H new ATOM 0 HE ARG A 57 -4.314 -18.595 -0.431 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -3.261 -19.671 -3.632 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.102 -21.220 -3.510 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -5.369 -20.578 -0.287 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.290 -21.730 -1.625 1.00 0.00 H new ATOM 955 N LYS A 58 -2.769 -14.374 1.393 1.00 0.00 N ATOM 956 CA LYS A 58 -2.454 -14.449 2.820 1.00 0.00 C ATOM 957 C LYS A 58 -2.996 -13.250 3.562 1.00 0.00 C ATOM 958 O LYS A 58 -3.690 -13.384 4.581 1.00 0.00 O ATOM 959 CB LYS A 58 -0.946 -14.579 3.080 1.00 0.00 C ATOM 960 CG LYS A 58 -0.442 -16.001 3.301 1.00 0.00 C ATOM 961 CD LYS A 58 -0.655 -16.903 2.107 1.00 0.00 C ATOM 962 CE LYS A 58 -0.129 -18.293 2.395 1.00 0.00 C ATOM 963 NZ LYS A 58 -0.286 -19.196 1.242 1.00 0.00 N ATOM 0 H LYS A 58 -1.975 -14.162 0.789 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.938 -15.351 3.194 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.410 -14.149 2.234 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.692 -13.981 3.955 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.621 -15.969 3.539 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.949 -16.429 4.166 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.717 -16.952 1.865 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.148 -16.489 1.235 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.925 -18.232 2.666 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.656 -18.708 3.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.133 -20.121 1.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.297 -19.316 1.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.195 -18.789 0.415 1.00 0.00 H new ATOM 977 N ASN A 59 -2.722 -12.092 3.042 1.00 0.00 N ATOM 978 CA ASN A 59 -3.121 -10.864 3.691 1.00 0.00 C ATOM 979 C ASN A 59 -4.042 -10.102 2.803 1.00 0.00 C ATOM 980 O ASN A 59 -3.774 -8.958 2.401 1.00 0.00 O ATOM 981 CB ASN A 59 -1.913 -10.027 4.139 1.00 0.00 C ATOM 982 CG ASN A 59 -1.152 -10.677 5.283 1.00 0.00 C ATOM 983 OD1 ASN A 59 -1.440 -10.428 6.457 1.00 0.00 O ATOM 984 ND2 ASN A 59 -0.181 -11.507 4.966 1.00 0.00 N ATOM 0 H ASN A 59 -2.220 -11.964 2.163 1.00 0.00 H new ATOM 0 HA ASN A 59 -3.659 -11.115 4.605 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -1.240 -9.883 3.294 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.253 -9.038 4.447 1.00 0.00 H new ATOM 0 HD21 ASN A 59 0.358 -11.966 5.701 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.032 -11.692 3.986 1.00 0.00 H new ATOM 991 N LYS A 60 -5.140 -10.754 2.507 1.00 0.00 N ATOM 992 CA LYS A 60 -6.158 -10.277 1.604 1.00 0.00 C ATOM 993 C LYS A 60 -6.686 -8.910 1.995 1.00 0.00 C ATOM 994 O LYS A 60 -6.917 -8.071 1.137 1.00 0.00 O ATOM 995 CB LYS A 60 -7.305 -11.292 1.524 1.00 0.00 C ATOM 996 CG LYS A 60 -7.972 -11.587 2.870 1.00 0.00 C ATOM 997 CD LYS A 60 -9.054 -12.650 2.772 1.00 0.00 C ATOM 998 CE LYS A 60 -10.156 -12.262 1.791 1.00 0.00 C ATOM 999 NZ LYS A 60 -11.162 -13.326 1.625 1.00 0.00 N ATOM 0 H LYS A 60 -5.357 -11.668 2.905 1.00 0.00 H new ATOM 0 HA LYS A 60 -5.698 -10.169 0.622 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -8.059 -10.919 0.831 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.923 -12.224 1.108 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.214 -11.912 3.582 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.407 -10.668 3.264 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.607 -13.593 2.459 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.489 -12.815 3.758 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -10.647 -11.354 2.141 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.712 -12.032 0.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.889 -13.014 0.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.701 -14.186 1.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.607 -13.529 2.543 1.00 0.00 H new ATOM 1013 N GLU A 61 -6.818 -8.677 3.280 1.00 0.00 N ATOM 1014 CA GLU A 61 -7.372 -7.470 3.776 1.00 0.00 C ATOM 1015 C GLU A 61 -6.375 -6.331 3.737 1.00 0.00 C ATOM 1016 O GLU A 61 -6.752 -5.182 3.514 1.00 0.00 O ATOM 1017 CB GLU A 61 -7.986 -7.647 5.170 1.00 0.00 C ATOM 1018 CG GLU A 61 -7.085 -8.212 6.256 1.00 0.00 C ATOM 1019 CD GLU A 61 -6.736 -9.665 6.090 1.00 0.00 C ATOM 1020 OE1 GLU A 61 -7.495 -10.528 6.552 1.00 0.00 O ATOM 1021 OE2 GLU A 61 -5.693 -9.966 5.500 1.00 0.00 O ATOM 0 H GLU A 61 -6.537 -9.336 4.006 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.188 -7.200 3.105 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.351 -6.676 5.505 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -8.854 -8.300 5.077 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.163 -7.632 6.282 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -7.574 -8.078 7.221 1.00 0.00 H new ATOM 1028 N PHE A 62 -5.104 -6.653 3.905 1.00 0.00 N ATOM 1029 CA PHE A 62 -4.062 -5.643 3.856 1.00 0.00 C ATOM 1030 C PHE A 62 -3.953 -5.116 2.446 1.00 0.00 C ATOM 1031 O PHE A 62 -4.032 -3.907 2.207 1.00 0.00 O ATOM 1032 CB PHE A 62 -2.701 -6.208 4.320 1.00 0.00 C ATOM 1033 CG PHE A 62 -1.565 -5.204 4.243 1.00 0.00 C ATOM 1034 CD1 PHE A 62 -1.395 -4.248 5.231 1.00 0.00 C ATOM 1035 CD2 PHE A 62 -0.684 -5.207 3.166 1.00 0.00 C ATOM 1036 CE1 PHE A 62 -0.375 -3.323 5.151 1.00 0.00 C ATOM 1037 CE2 PHE A 62 0.331 -4.281 3.081 1.00 0.00 C ATOM 1038 CZ PHE A 62 0.486 -3.340 4.072 1.00 0.00 C ATOM 0 H PHE A 62 -4.770 -7.602 4.076 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.329 -4.835 4.537 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.795 -6.559 5.348 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -2.450 -7.075 3.709 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.069 -4.227 6.074 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.798 -5.946 2.386 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.250 -2.587 5.931 1.00 0.00 H new ATOM 0 HE2 PHE A 62 1.005 -4.293 2.237 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.282 -2.613 4.006 1.00 0.00 H new ATOM 1048 N TYR A 63 -3.835 -6.037 1.513 1.00 0.00 N ATOM 1049 CA TYR A 63 -3.698 -5.691 0.128 1.00 0.00 C ATOM 1050 C TYR A 63 -4.974 -5.095 -0.440 1.00 0.00 C ATOM 1051 O TYR A 63 -4.919 -4.223 -1.291 1.00 0.00 O ATOM 1052 CB TYR A 63 -3.158 -6.865 -0.687 1.00 0.00 C ATOM 1053 CG TYR A 63 -1.735 -7.216 -0.287 1.00 0.00 C ATOM 1054 CD1 TYR A 63 -0.673 -6.417 -0.684 1.00 0.00 C ATOM 1055 CD2 TYR A 63 -1.456 -8.321 0.500 1.00 0.00 C ATOM 1056 CE1 TYR A 63 0.623 -6.708 -0.308 1.00 0.00 C ATOM 1057 CE2 TYR A 63 -0.162 -8.622 0.879 1.00 0.00 C ATOM 1058 CZ TYR A 63 0.873 -7.812 0.474 1.00 0.00 C ATOM 1059 OH TYR A 63 2.161 -8.105 0.856 1.00 0.00 O ATOM 0 H TYR A 63 -3.832 -7.040 1.699 1.00 0.00 H new ATOM 0 HA TYR A 63 -2.952 -4.900 0.053 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.801 -7.734 -0.545 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -3.188 -6.616 -1.748 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -0.864 -5.550 -1.299 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.265 -8.959 0.823 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.436 -6.072 -0.626 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.036 -9.490 1.491 1.00 0.00 H new ATOM 0 HH TYR A 63 2.163 -8.916 1.406 1.00 0.00 H new ATOM 1069 N ASP A 64 -6.123 -5.519 0.073 1.00 0.00 N ATOM 1070 CA ASP A 64 -7.396 -4.939 -0.360 1.00 0.00 C ATOM 1071 C ASP A 64 -7.485 -3.469 0.019 1.00 0.00 C ATOM 1072 O ASP A 64 -7.763 -2.609 -0.837 1.00 0.00 O ATOM 1073 CB ASP A 64 -8.595 -5.686 0.226 1.00 0.00 C ATOM 1074 CG ASP A 64 -9.914 -5.012 -0.097 1.00 0.00 C ATOM 1075 OD1 ASP A 64 -10.434 -5.187 -1.233 1.00 0.00 O ATOM 1076 OD2 ASP A 64 -10.468 -4.321 0.774 1.00 0.00 O ATOM 0 H ASP A 64 -6.204 -6.251 0.779 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.427 -5.035 -1.445 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -8.608 -6.705 -0.160 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -8.482 -5.756 1.308 1.00 0.00 H new ATOM 1081 N MET A 65 -7.221 -3.179 1.285 1.00 0.00 N ATOM 1082 CA MET A 65 -7.314 -1.824 1.781 1.00 0.00 C ATOM 1083 C MET A 65 -6.290 -0.909 1.152 1.00 0.00 C ATOM 1084 O MET A 65 -6.617 0.225 0.812 1.00 0.00 O ATOM 1085 CB MET A 65 -7.281 -1.756 3.311 1.00 0.00 C ATOM 1086 CG MET A 65 -8.494 -2.403 3.954 1.00 0.00 C ATOM 1087 SD MET A 65 -8.539 -2.265 5.763 1.00 0.00 S ATOM 1088 CE MET A 65 -7.068 -3.175 6.231 1.00 0.00 C ATOM 0 H MET A 65 -6.941 -3.868 1.983 1.00 0.00 H new ATOM 0 HA MET A 65 -8.293 -1.456 1.474 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.378 -2.248 3.673 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.223 -0.713 3.623 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.395 -1.948 3.544 1.00 0.00 H new ATOM 0 HG3 MET A 65 -8.517 -3.458 3.681 1.00 0.00 H new ATOM 0 HE1 MET A 65 -7.345 -4.005 6.881 1.00 0.00 H new ATOM 0 HE2 MET A 65 -6.579 -3.562 5.337 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.383 -2.512 6.761 1.00 0.00 H new ATOM 1098 N ILE A 66 -5.059 -1.387 0.944 1.00 0.00 N ATOM 1099 CA ILE A 66 -4.088 -0.530 0.288 1.00 0.00 C ATOM 1100 C ILE A 66 -4.480 -0.268 -1.156 1.00 0.00 C ATOM 1101 O ILE A 66 -4.439 0.862 -1.585 1.00 0.00 O ATOM 1102 CB ILE A 66 -2.595 -0.975 0.369 1.00 0.00 C ATOM 1103 CG1 ILE A 66 -2.356 -2.333 -0.265 1.00 0.00 C ATOM 1104 CG2 ILE A 66 -2.111 -0.978 1.807 1.00 0.00 C ATOM 1105 CD1 ILE A 66 -0.896 -2.623 -0.506 1.00 0.00 C ATOM 0 H ILE A 66 -4.729 -2.316 1.207 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.127 0.389 0.872 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.021 -0.245 -0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.773 -3.107 0.380 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.892 -2.385 -1.213 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.068 -1.291 1.839 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -2.201 0.025 2.223 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.716 -1.670 2.393 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.791 -3.608 -0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.481 -1.869 -1.174 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.360 -2.602 0.443 1.00 0.00 H new ATOM 1117 N ALA A 67 -4.928 -1.311 -1.882 1.00 0.00 N ATOM 1118 CA ALA A 67 -5.353 -1.164 -3.285 1.00 0.00 C ATOM 1119 C ALA A 67 -6.461 -0.129 -3.407 1.00 0.00 C ATOM 1120 O ALA A 67 -6.476 0.676 -4.347 1.00 0.00 O ATOM 1121 CB ALA A 67 -5.814 -2.493 -3.852 1.00 0.00 C ATOM 0 H ALA A 67 -5.004 -2.261 -1.520 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.493 -0.822 -3.861 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.123 -2.359 -4.889 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.995 -3.211 -3.807 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.656 -2.865 -3.268 1.00 0.00 H new ATOM 1127 N GLU A 68 -7.367 -0.148 -2.447 1.00 0.00 N ATOM 1128 CA GLU A 68 -8.446 0.814 -2.362 1.00 0.00 C ATOM 1129 C GLU A 68 -7.864 2.236 -2.267 1.00 0.00 C ATOM 1130 O GLU A 68 -8.099 3.074 -3.144 1.00 0.00 O ATOM 1131 CB GLU A 68 -9.296 0.472 -1.115 1.00 0.00 C ATOM 1132 CG GLU A 68 -10.391 1.467 -0.745 1.00 0.00 C ATOM 1133 CD GLU A 68 -11.404 1.686 -1.832 1.00 0.00 C ATOM 1134 OE1 GLU A 68 -12.145 0.739 -2.172 1.00 0.00 O ATOM 1135 OE2 GLU A 68 -11.492 2.812 -2.346 1.00 0.00 O ATOM 0 H GLU A 68 -7.373 -0.840 -1.697 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.076 0.772 -3.250 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.759 -0.502 -1.274 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.625 0.370 -0.262 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.903 1.113 0.150 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.931 2.422 -0.492 1.00 0.00 H new ATOM 1142 N ILE A 69 -7.021 2.435 -1.268 1.00 0.00 N ATOM 1143 CA ILE A 69 -6.421 3.731 -0.950 1.00 0.00 C ATOM 1144 C ILE A 69 -5.469 4.235 -2.045 1.00 0.00 C ATOM 1145 O ILE A 69 -5.470 5.428 -2.362 1.00 0.00 O ATOM 1146 CB ILE A 69 -5.707 3.656 0.416 1.00 0.00 C ATOM 1147 CG1 ILE A 69 -6.740 3.308 1.484 1.00 0.00 C ATOM 1148 CG2 ILE A 69 -4.998 4.971 0.763 1.00 0.00 C ATOM 1149 CD1 ILE A 69 -6.146 2.960 2.808 1.00 0.00 C ATOM 0 H ILE A 69 -6.725 1.688 -0.639 1.00 0.00 H new ATOM 0 HA ILE A 69 -7.230 4.460 -0.896 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.937 2.886 0.370 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.416 4.153 1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.341 2.469 1.134 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.508 4.876 1.732 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.252 5.195 0.000 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.729 5.779 0.804 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -6.943 2.725 3.514 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.492 2.095 2.697 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.568 3.806 3.181 1.00 0.00 H new ATOM 1161 N LEU A 70 -4.685 3.330 -2.626 1.00 0.00 N ATOM 1162 CA LEU A 70 -3.741 3.672 -3.701 1.00 0.00 C ATOM 1163 C LEU A 70 -4.434 4.405 -4.836 1.00 0.00 C ATOM 1164 O LEU A 70 -3.979 5.444 -5.278 1.00 0.00 O ATOM 1165 CB LEU A 70 -3.042 2.410 -4.232 1.00 0.00 C ATOM 1166 CG LEU A 70 -2.129 1.687 -3.234 1.00 0.00 C ATOM 1167 CD1 LEU A 70 -1.637 0.371 -3.801 1.00 0.00 C ATOM 1168 CD2 LEU A 70 -0.958 2.568 -2.849 1.00 0.00 C ATOM 0 H LEU A 70 -4.682 2.342 -2.371 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.989 4.339 -3.278 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.805 1.710 -4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.450 2.685 -5.105 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.713 1.473 -2.339 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.992 -0.120 -3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.489 -0.271 -4.022 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.075 0.557 -4.716 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.322 2.038 -2.140 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.381 2.816 -3.740 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.328 3.485 -2.389 1.00 0.00 H new ATOM 1180 N GLN A 71 -5.557 3.884 -5.255 1.00 0.00 N ATOM 1181 CA GLN A 71 -6.321 4.471 -6.349 1.00 0.00 C ATOM 1182 C GLN A 71 -6.993 5.770 -5.876 1.00 0.00 C ATOM 1183 O GLN A 71 -6.860 6.851 -6.487 1.00 0.00 O ATOM 1184 CB GLN A 71 -7.382 3.469 -6.777 1.00 0.00 C ATOM 1185 CG GLN A 71 -6.821 2.112 -7.175 1.00 0.00 C ATOM 1186 CD GLN A 71 -7.900 1.113 -7.505 1.00 0.00 C ATOM 1187 OE1 GLN A 71 -8.346 1.020 -8.640 1.00 0.00 O ATOM 1188 NE2 GLN A 71 -8.296 0.348 -6.535 1.00 0.00 N ATOM 0 H GLN A 71 -5.975 3.044 -4.856 1.00 0.00 H new ATOM 0 HA GLN A 71 -5.663 4.704 -7.186 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.091 3.333 -5.960 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -7.940 3.882 -7.618 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -6.166 2.233 -8.038 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.208 1.724 -6.362 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.898 0.459 -5.603 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -9.006 -0.365 -6.705 1.00 0.00 H new ATOM 1197 N ARG A 72 -7.633 5.629 -4.749 1.00 0.00 N ATOM 1198 CA ARG A 72 -8.428 6.634 -4.056 1.00 0.00 C ATOM 1199 C ARG A 72 -7.632 7.933 -3.828 1.00 0.00 C ATOM 1200 O ARG A 72 -8.144 9.032 -4.019 1.00 0.00 O ATOM 1201 CB ARG A 72 -8.784 5.960 -2.747 1.00 0.00 C ATOM 1202 CG ARG A 72 -9.781 6.572 -1.812 1.00 0.00 C ATOM 1203 CD ARG A 72 -10.065 5.504 -0.764 1.00 0.00 C ATOM 1204 NE ARG A 72 -10.980 5.883 0.291 1.00 0.00 N ATOM 1205 CZ ARG A 72 -12.057 5.180 0.644 1.00 0.00 C ATOM 1206 NH1 ARG A 72 -12.539 4.212 -0.147 1.00 0.00 N ATOM 1207 NH2 ARG A 72 -12.652 5.455 1.793 1.00 0.00 N ATOM 0 H ARG A 72 -7.618 4.744 -4.243 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.305 6.943 -4.625 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.145 4.961 -2.990 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -7.856 5.836 -2.189 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -9.384 7.477 -1.352 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -10.691 6.856 -2.340 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.466 4.625 -1.268 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.120 5.207 -0.310 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.788 6.746 0.799 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -12.081 4.003 -1.034 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -13.364 3.684 0.138 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -12.286 6.194 2.393 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.477 4.928 2.079 1.00 0.00 H new ATOM 1221 N TYR A 73 -6.383 7.799 -3.445 1.00 0.00 N ATOM 1222 CA TYR A 73 -5.554 8.951 -3.181 1.00 0.00 C ATOM 1223 C TYR A 73 -4.598 9.317 -4.305 1.00 0.00 C ATOM 1224 O TYR A 73 -4.044 10.424 -4.301 1.00 0.00 O ATOM 1225 CB TYR A 73 -4.862 8.880 -1.822 1.00 0.00 C ATOM 1226 CG TYR A 73 -5.802 9.154 -0.668 1.00 0.00 C ATOM 1227 CD1 TYR A 73 -6.658 8.177 -0.180 1.00 0.00 C ATOM 1228 CD2 TYR A 73 -5.841 10.411 -0.078 1.00 0.00 C ATOM 1229 CE1 TYR A 73 -7.526 8.446 0.858 1.00 0.00 C ATOM 1230 CE2 TYR A 73 -6.699 10.684 0.963 1.00 0.00 C ATOM 1231 CZ TYR A 73 -7.539 9.705 1.427 1.00 0.00 C ATOM 1232 OH TYR A 73 -8.404 9.985 2.451 1.00 0.00 O ATOM 0 H TYR A 73 -5.918 6.901 -3.309 1.00 0.00 H new ATOM 0 HA TYR A 73 -6.255 9.784 -3.137 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.419 7.892 -1.697 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.045 9.601 -1.798 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.645 7.191 -0.620 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.186 11.188 -0.443 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.191 7.677 1.223 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.710 11.666 1.413 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.283 10.915 2.737 1.00 0.00 H new ATOM 1242 N TYR A 74 -4.380 8.429 -5.278 1.00 0.00 N ATOM 1243 CA TYR A 74 -3.484 8.774 -6.388 1.00 0.00 C ATOM 1244 C TYR A 74 -4.099 9.889 -7.218 1.00 0.00 C ATOM 1245 O TYR A 74 -3.394 10.693 -7.813 1.00 0.00 O ATOM 1246 CB TYR A 74 -3.086 7.546 -7.248 1.00 0.00 C ATOM 1247 CG TYR A 74 -3.674 7.453 -8.654 1.00 0.00 C ATOM 1248 CD1 TYR A 74 -4.937 6.935 -8.874 1.00 0.00 C ATOM 1249 CD2 TYR A 74 -2.933 7.856 -9.760 1.00 0.00 C ATOM 1250 CE1 TYR A 74 -5.449 6.816 -10.147 1.00 0.00 C ATOM 1251 CE2 TYR A 74 -3.442 7.747 -11.036 1.00 0.00 C ATOM 1252 CZ TYR A 74 -4.699 7.220 -11.225 1.00 0.00 C ATOM 1253 OH TYR A 74 -5.208 7.086 -12.510 1.00 0.00 O ATOM 0 H TYR A 74 -4.794 7.498 -5.324 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.548 9.136 -5.963 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.000 7.534 -7.336 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -3.372 6.646 -6.703 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.533 6.618 -8.031 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.942 8.261 -9.616 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.437 6.406 -10.297 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.857 8.074 -11.883 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.553 7.420 -13.158 1.00 0.00 H new ATOM 1263 N LYS A 75 -5.420 9.940 -7.222 1.00 0.00 N ATOM 1264 CA LYS A 75 -6.155 11.012 -7.883 1.00 0.00 C ATOM 1265 C LYS A 75 -6.094 12.313 -7.079 1.00 0.00 C ATOM 1266 O LYS A 75 -6.324 13.398 -7.611 1.00 0.00 O ATOM 1267 CB LYS A 75 -7.618 10.611 -8.076 1.00 0.00 C ATOM 1268 CG LYS A 75 -7.868 9.595 -9.167 1.00 0.00 C ATOM 1269 CD LYS A 75 -7.591 10.196 -10.534 1.00 0.00 C ATOM 1270 CE LYS A 75 -7.972 9.247 -11.651 1.00 0.00 C ATOM 1271 NZ LYS A 75 -9.416 8.912 -11.638 1.00 0.00 N ATOM 0 H LYS A 75 -6.014 9.244 -6.770 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.686 11.180 -8.852 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.996 10.211 -7.135 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.198 11.507 -8.296 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -7.232 8.723 -9.012 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.900 9.249 -9.119 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.148 11.127 -10.642 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.533 10.446 -10.614 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.714 9.696 -12.610 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.388 8.331 -11.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.687 8.509 -12.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.605 8.218 -10.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.971 9.774 -11.461 1.00 0.00 H new ATOM 1285 N LYS A 76 -5.778 12.203 -5.812 1.00 0.00 N ATOM 1286 CA LYS A 76 -5.795 13.351 -4.931 1.00 0.00 C ATOM 1287 C LYS A 76 -4.407 13.952 -4.749 1.00 0.00 C ATOM 1288 O LYS A 76 -4.226 15.155 -4.906 1.00 0.00 O ATOM 1289 CB LYS A 76 -6.417 12.973 -3.581 1.00 0.00 C ATOM 1290 CG LYS A 76 -7.834 12.430 -3.706 1.00 0.00 C ATOM 1291 CD LYS A 76 -8.426 12.054 -2.358 1.00 0.00 C ATOM 1292 CE LYS A 76 -9.831 11.473 -2.509 1.00 0.00 C ATOM 1293 NZ LYS A 76 -10.780 12.435 -3.122 1.00 0.00 N ATOM 0 H LYS A 76 -5.505 11.328 -5.364 1.00 0.00 H new ATOM 0 HA LYS A 76 -6.411 14.120 -5.397 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.790 12.225 -3.096 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.426 13.850 -2.934 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.467 13.178 -4.183 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -7.830 11.555 -4.356 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -7.781 11.326 -1.866 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.462 12.934 -1.716 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.785 10.573 -3.122 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.204 11.173 -1.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.750 12.070 -3.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.709 13.351 -2.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.547 12.559 -4.128 1.00 0.00 H new ATOM 1307 N ILE A 77 -3.436 13.124 -4.425 1.00 0.00 N ATOM 1308 CA ILE A 77 -2.081 13.617 -4.190 1.00 0.00 C ATOM 1309 C ILE A 77 -1.061 13.023 -5.167 1.00 0.00 C ATOM 1310 O ILE A 77 -0.073 13.675 -5.518 1.00 0.00 O ATOM 1311 CB ILE A 77 -1.620 13.388 -2.722 1.00 0.00 C ATOM 1312 CG1 ILE A 77 -1.786 11.909 -2.321 1.00 0.00 C ATOM 1313 CG2 ILE A 77 -2.385 14.307 -1.770 1.00 0.00 C ATOM 1314 CD1 ILE A 77 -1.330 11.586 -0.914 1.00 0.00 C ATOM 0 H ILE A 77 -3.550 12.116 -4.317 1.00 0.00 H new ATOM 0 HA ILE A 77 -2.124 14.691 -4.369 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.561 13.635 -2.651 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.836 11.634 -2.421 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.226 11.290 -3.022 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.049 14.133 -0.748 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.200 15.347 -2.041 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.452 14.098 -1.842 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.483 10.525 -0.717 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.272 11.826 -0.810 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.907 12.175 -0.200 1.00 0.00 H new ATOM 1326 N GLY A 78 -1.304 11.817 -5.627 1.00 0.00 N ATOM 1327 CA GLY A 78 -0.380 11.186 -6.553 1.00 0.00 C ATOM 1328 C GLY A 78 0.054 9.843 -6.044 1.00 0.00 C ATOM 1329 O GLY A 78 0.191 9.664 -4.837 1.00 0.00 O ATOM 0 H GLY A 78 -2.120 11.257 -5.382 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.855 11.074 -7.528 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.492 11.825 -6.695 1.00 0.00 H new ATOM 1333 N ILE A 79 0.292 8.907 -6.948 1.00 0.00 N ATOM 1334 CA ILE A 79 0.617 7.529 -6.569 1.00 0.00 C ATOM 1335 C ILE A 79 1.953 7.445 -5.811 1.00 0.00 C ATOM 1336 O ILE A 79 2.056 6.735 -4.819 1.00 0.00 O ATOM 1337 CB ILE A 79 0.582 6.541 -7.795 1.00 0.00 C ATOM 1338 CG1 ILE A 79 0.850 5.089 -7.359 1.00 0.00 C ATOM 1339 CG2 ILE A 79 1.551 6.958 -8.897 1.00 0.00 C ATOM 1340 CD1 ILE A 79 -0.171 4.538 -6.381 1.00 0.00 C ATOM 0 H ILE A 79 0.268 9.071 -7.954 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.167 7.205 -5.885 1.00 0.00 H new ATOM 0 HB ILE A 79 -0.426 6.592 -8.206 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.870 4.453 -8.244 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.839 5.034 -6.905 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.492 6.247 -9.721 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.287 7.953 -9.256 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.567 6.972 -8.502 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.089 3.511 -6.124 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.176 5.148 -5.478 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.160 4.558 -6.838 1.00 0.00 H new ATOM 1352 N GLU A 80 2.927 8.240 -6.240 1.00 0.00 N ATOM 1353 CA GLU A 80 4.257 8.283 -5.620 1.00 0.00 C ATOM 1354 C GLU A 80 4.139 8.672 -4.154 1.00 0.00 C ATOM 1355 O GLU A 80 4.842 8.147 -3.277 1.00 0.00 O ATOM 1356 CB GLU A 80 5.093 9.331 -6.328 1.00 0.00 C ATOM 1357 CG GLU A 80 5.352 9.037 -7.788 1.00 0.00 C ATOM 1358 CD GLU A 80 5.863 10.243 -8.513 1.00 0.00 C ATOM 1359 OE1 GLU A 80 7.082 10.473 -8.536 1.00 0.00 O ATOM 1360 OE2 GLU A 80 5.035 11.001 -9.063 1.00 0.00 O ATOM 0 H GLU A 80 2.821 8.877 -7.030 1.00 0.00 H new ATOM 0 HA GLU A 80 4.720 7.299 -5.700 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.591 10.295 -6.247 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.049 9.425 -5.813 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.076 8.227 -7.873 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.431 8.692 -8.259 1.00 0.00 H new ATOM 1367 N ASN A 81 3.239 9.592 -3.910 1.00 0.00 N ATOM 1368 CA ASN A 81 2.985 10.113 -2.587 1.00 0.00 C ATOM 1369 C ASN A 81 2.335 9.049 -1.735 1.00 0.00 C ATOM 1370 O ASN A 81 2.791 8.764 -0.628 1.00 0.00 O ATOM 1371 CB ASN A 81 2.070 11.358 -2.637 1.00 0.00 C ATOM 1372 CG ASN A 81 2.618 12.524 -3.460 1.00 0.00 C ATOM 1373 OD1 ASN A 81 3.320 12.342 -4.464 1.00 0.00 O ATOM 1374 ND2 ASN A 81 2.312 13.722 -3.050 1.00 0.00 N ATOM 0 H ASN A 81 2.653 10.007 -4.634 1.00 0.00 H new ATOM 0 HA ASN A 81 3.941 10.407 -2.153 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.104 11.065 -3.047 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.893 11.702 -1.618 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.652 14.538 -3.559 1.00 0.00 H new ATOM 0 HD22 ASN A 81 1.732 13.844 -2.220 1.00 0.00 H new ATOM 1381 N VAL A 82 1.301 8.417 -2.284 1.00 0.00 N ATOM 1382 CA VAL A 82 0.550 7.399 -1.557 1.00 0.00 C ATOM 1383 C VAL A 82 1.445 6.212 -1.219 1.00 0.00 C ATOM 1384 O VAL A 82 1.419 5.725 -0.097 1.00 0.00 O ATOM 1385 CB VAL A 82 -0.701 6.901 -2.333 1.00 0.00 C ATOM 1386 CG1 VAL A 82 -1.546 5.986 -1.456 1.00 0.00 C ATOM 1387 CG2 VAL A 82 -1.535 8.062 -2.813 1.00 0.00 C ATOM 0 H VAL A 82 0.964 8.593 -3.231 1.00 0.00 H new ATOM 0 HA VAL A 82 0.199 7.873 -0.640 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.354 6.340 -3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.417 5.648 -2.017 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.953 5.124 -1.152 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.874 6.531 -0.571 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.404 7.687 -3.353 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.866 8.651 -1.957 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.939 8.689 -3.476 1.00 0.00 H new ATOM 1397 N ASN A 83 2.263 5.787 -2.181 1.00 0.00 N ATOM 1398 CA ASN A 83 3.197 4.668 -1.976 1.00 0.00 C ATOM 1399 C ASN A 83 4.111 4.939 -0.795 1.00 0.00 C ATOM 1400 O ASN A 83 4.298 4.084 0.076 1.00 0.00 O ATOM 1401 CB ASN A 83 4.057 4.371 -3.231 1.00 0.00 C ATOM 1402 CG ASN A 83 3.265 3.832 -4.414 1.00 0.00 C ATOM 1403 OD1 ASN A 83 2.220 3.226 -4.250 1.00 0.00 O ATOM 1404 ND2 ASN A 83 3.783 3.997 -5.611 1.00 0.00 N ATOM 0 H ASN A 83 2.302 6.198 -3.114 1.00 0.00 H new ATOM 0 HA ASN A 83 2.583 3.790 -1.775 1.00 0.00 H new ATOM 0 HB2 ASN A 83 4.565 5.286 -3.535 1.00 0.00 H new ATOM 0 HB3 ASN A 83 4.830 3.650 -2.966 1.00 0.00 H new ATOM 0 HD21 ASN A 83 3.309 3.614 -6.429 1.00 0.00 H new ATOM 0 HD22 ASN A 83 4.659 4.508 -5.722 1.00 0.00 H new ATOM 1411 N GLN A 84 4.630 6.148 -0.737 1.00 0.00 N ATOM 1412 CA GLN A 84 5.532 6.554 0.330 1.00 0.00 C ATOM 1413 C GLN A 84 4.754 6.570 1.664 1.00 0.00 C ATOM 1414 O GLN A 84 5.257 6.125 2.705 1.00 0.00 O ATOM 1415 CB GLN A 84 6.110 7.949 0.007 1.00 0.00 C ATOM 1416 CG GLN A 84 7.482 8.292 0.632 1.00 0.00 C ATOM 1417 CD GLN A 84 7.527 8.289 2.151 1.00 0.00 C ATOM 1418 OE1 GLN A 84 7.259 9.301 2.792 1.00 0.00 O ATOM 1419 NE2 GLN A 84 7.930 7.184 2.732 1.00 0.00 N ATOM 0 H GLN A 84 4.442 6.878 -1.424 1.00 0.00 H new ATOM 0 HA GLN A 84 6.361 5.852 0.417 1.00 0.00 H new ATOM 0 HB2 GLN A 84 6.197 8.039 -1.076 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.390 8.700 0.333 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.219 7.579 0.262 1.00 0.00 H new ATOM 0 HG3 GLN A 84 7.787 9.277 0.279 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.144 6.361 2.169 1.00 0.00 H new ATOM 0 HE22 GLN A 84 8.029 7.148 3.747 1.00 0.00 H new ATOM 1428 N LEU A 85 3.525 7.045 1.622 1.00 0.00 N ATOM 1429 CA LEU A 85 2.685 7.093 2.809 1.00 0.00 C ATOM 1430 C LEU A 85 2.356 5.686 3.316 1.00 0.00 C ATOM 1431 O LEU A 85 2.394 5.439 4.523 1.00 0.00 O ATOM 1432 CB LEU A 85 1.414 7.913 2.565 1.00 0.00 C ATOM 1433 CG LEU A 85 1.636 9.394 2.217 1.00 0.00 C ATOM 1434 CD1 LEU A 85 0.316 10.095 1.974 1.00 0.00 C ATOM 1435 CD2 LEU A 85 2.425 10.102 3.315 1.00 0.00 C ATOM 0 H LEU A 85 3.082 7.405 0.777 1.00 0.00 H new ATOM 0 HA LEU A 85 3.252 7.599 3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.853 7.448 1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.790 7.857 3.457 1.00 0.00 H new ATOM 0 HG LEU A 85 2.220 9.437 1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.499 11.141 1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.204 9.614 1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.299 10.034 2.872 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.568 11.148 3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.875 10.043 4.254 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.396 9.622 3.432 1.00 0.00 H new ATOM 1447 N ILE A 86 2.086 4.763 2.398 1.00 0.00 N ATOM 1448 CA ILE A 86 1.814 3.367 2.751 1.00 0.00 C ATOM 1449 C ILE A 86 3.051 2.766 3.411 1.00 0.00 C ATOM 1450 O ILE A 86 2.954 2.109 4.453 1.00 0.00 O ATOM 1451 CB ILE A 86 1.392 2.512 1.507 1.00 0.00 C ATOM 1452 CG1 ILE A 86 0.090 3.049 0.875 1.00 0.00 C ATOM 1453 CG2 ILE A 86 1.239 1.029 1.866 1.00 0.00 C ATOM 1454 CD1 ILE A 86 -1.116 3.067 1.804 1.00 0.00 C ATOM 0 H ILE A 86 2.049 4.955 1.397 1.00 0.00 H new ATOM 0 HA ILE A 86 0.974 3.352 3.446 1.00 0.00 H new ATOM 0 HB ILE A 86 2.193 2.600 0.772 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.269 4.063 0.517 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.151 2.441 0.003 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.946 0.468 0.979 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.188 0.645 2.240 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.474 0.918 2.635 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.981 3.460 1.270 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.329 2.053 2.143 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.903 3.701 2.665 1.00 0.00 H new ATOM 1466 N LEU A 87 4.215 3.051 2.832 1.00 0.00 N ATOM 1467 CA LEU A 87 5.487 2.601 3.386 1.00 0.00 C ATOM 1468 C LEU A 87 5.682 3.147 4.791 1.00 0.00 C ATOM 1469 O LEU A 87 6.041 2.420 5.696 1.00 0.00 O ATOM 1470 CB LEU A 87 6.656 3.009 2.484 1.00 0.00 C ATOM 1471 CG LEU A 87 6.693 2.355 1.103 1.00 0.00 C ATOM 1472 CD1 LEU A 87 7.879 2.861 0.302 1.00 0.00 C ATOM 1473 CD2 LEU A 87 6.746 0.840 1.231 1.00 0.00 C ATOM 0 H LEU A 87 4.302 3.595 1.974 1.00 0.00 H new ATOM 0 HA LEU A 87 5.464 1.512 3.438 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.628 4.091 2.352 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.587 2.775 3.000 1.00 0.00 H new ATOM 0 HG LEU A 87 5.780 2.626 0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.887 2.383 -0.678 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.800 3.941 0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 87 8.803 2.623 0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.772 0.392 0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.641 0.553 1.782 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.863 0.489 1.765 1.00 0.00 H new ATOM 1485 N THR A 88 5.386 4.416 4.967 1.00 0.00 N ATOM 1486 CA THR A 88 5.491 5.074 6.260 1.00 0.00 C ATOM 1487 C THR A 88 4.530 4.423 7.292 1.00 0.00 C ATOM 1488 O THR A 88 4.854 4.293 8.472 1.00 0.00 O ATOM 1489 CB THR A 88 5.190 6.589 6.109 1.00 0.00 C ATOM 1490 OG1 THR A 88 6.109 7.165 5.149 1.00 0.00 O ATOM 1491 CG2 THR A 88 5.325 7.321 7.442 1.00 0.00 C ATOM 0 H THR A 88 5.064 5.027 4.217 1.00 0.00 H new ATOM 0 HA THR A 88 6.509 4.954 6.630 1.00 0.00 H new ATOM 0 HB THR A 88 4.162 6.700 5.764 1.00 0.00 H new ATOM 0 HG1 THR A 88 5.873 6.861 4.248 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.107 8.380 7.300 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.623 6.900 8.161 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.342 7.207 7.818 1.00 0.00 H new ATOM 1499 N THR A 89 3.393 3.979 6.818 1.00 0.00 N ATOM 1500 CA THR A 89 2.377 3.365 7.644 1.00 0.00 C ATOM 1501 C THR A 89 2.803 1.977 8.138 1.00 0.00 C ATOM 1502 O THR A 89 2.440 1.566 9.232 1.00 0.00 O ATOM 1503 CB THR A 89 1.063 3.296 6.853 1.00 0.00 C ATOM 1504 OG1 THR A 89 0.737 4.615 6.456 1.00 0.00 O ATOM 1505 CG2 THR A 89 -0.073 2.743 7.689 1.00 0.00 C ATOM 0 H THR A 89 3.141 4.034 5.831 1.00 0.00 H new ATOM 0 HA THR A 89 2.232 3.977 8.534 1.00 0.00 H new ATOM 0 HB THR A 89 1.198 2.632 5.999 1.00 0.00 H new ATOM 0 HG1 THR A 89 -0.226 4.676 6.284 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.983 2.712 7.090 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.177 1.736 8.022 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.231 3.383 8.557 1.00 0.00 H new ATOM 1513 N ILE A 90 3.579 1.273 7.344 1.00 0.00 N ATOM 1514 CA ILE A 90 4.055 -0.036 7.756 1.00 0.00 C ATOM 1515 C ILE A 90 5.414 0.056 8.434 1.00 0.00 C ATOM 1516 O ILE A 90 5.973 -0.959 8.884 1.00 0.00 O ATOM 1517 CB ILE A 90 4.101 -1.045 6.600 1.00 0.00 C ATOM 1518 CG1 ILE A 90 5.005 -0.545 5.478 1.00 0.00 C ATOM 1519 CG2 ILE A 90 2.693 -1.312 6.086 1.00 0.00 C ATOM 1520 CD1 ILE A 90 5.167 -1.521 4.354 1.00 0.00 C ATOM 0 H ILE A 90 3.892 1.576 6.422 1.00 0.00 H new ATOM 0 HA ILE A 90 3.328 -0.408 8.478 1.00 0.00 H new ATOM 0 HB ILE A 90 4.519 -1.981 6.970 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.598 0.386 5.083 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.987 -0.314 5.891 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.735 -2.029 5.266 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.082 -1.718 6.892 1.00 0.00 H new ATOM 0 HG23 ILE A 90 2.252 -0.380 5.731 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.823 -1.096 3.594 1.00 0.00 H new ATOM 0 HD12 ILE A 90 5.603 -2.445 4.734 1.00 0.00 H new ATOM 0 HD13 ILE A 90 4.193 -1.734 3.914 1.00 0.00 H new