USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 506 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 Single : A 17 ASN : amide:sc= -0.525 X(o=-0.53,f=-0.033) USER MOD Single : A 23 CYS SG : rot 61:sc= -6.29! USER MOD Single : A 24 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-2.4!) USER MOD Single : A 25 GLN : amide:sc= -0.68 X(o=-0.68,f=-0.68) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.945 USER MOD Single : A 33 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.0398 X(o=-0.04,f=-0.37) USER MOD Single : A 39 MET CE :methyl 157:sc= -1.95! (180deg=-3.29!) USER MOD Single : A 41 HIS : no HD1:sc= -0.0855 X(o=-0.086,f=-0.21) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 46 GLN :FLIP amide:sc= -1.77! C(o=-2.9!,f=-1.8!) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -153:sc= -2.42! (180deg=-3.34!) USER MOD Single : A 59 GLN : amide:sc= -0.0106 X(o=-0.011,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 12 -3.975 -0.711 8.153 1.00 0.00 N ATOM 115 CA PRO A 12 -3.677 -1.743 7.174 1.00 0.00 C ATOM 116 C PRO A 12 -4.927 -2.119 6.376 1.00 0.00 C ATOM 117 O PRO A 12 -4.959 -1.965 5.156 1.00 0.00 O ATOM 118 CB PRO A 12 -3.117 -2.902 7.983 1.00 0.00 C ATOM 119 CG PRO A 12 -3.553 -2.657 9.418 1.00 0.00 C ATOM 120 CD PRO A 12 -4.045 -1.222 9.518 1.00 0.00 C ATOM 0 HA PRO A 12 -2.959 -1.416 6.422 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.499 -3.855 7.616 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.030 -2.943 7.906 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.344 -3.352 9.701 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.722 -2.824 10.103 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.063 -1.178 9.906 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.422 -0.636 10.193 1.00 0.00 H new ATOM 128 N VAL A 13 -5.926 -2.606 7.098 1.00 0.00 N ATOM 129 CA VAL A 13 -7.175 -3.005 6.473 1.00 0.00 C ATOM 130 C VAL A 13 -7.565 -1.971 5.414 1.00 0.00 C ATOM 131 O VAL A 13 -7.750 -2.312 4.247 1.00 0.00 O ATOM 132 CB VAL A 13 -8.254 -3.204 7.539 1.00 0.00 C ATOM 133 CG1 VAL A 13 -8.341 -1.989 8.464 1.00 0.00 C ATOM 134 CG2 VAL A 13 -9.611 -3.503 6.898 1.00 0.00 C ATOM 0 H VAL A 13 -5.895 -2.733 8.110 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.058 -3.962 5.965 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.972 -4.066 8.143 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.116 -2.156 9.212 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.382 -1.841 8.961 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.587 -1.103 7.879 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.360 -3.640 7.678 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.902 -2.670 6.258 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.539 -4.412 6.301 1.00 0.00 H new ATOM 144 N GLU A 14 -7.677 -0.729 5.860 1.00 0.00 N ATOM 145 CA GLU A 14 -8.040 0.357 4.965 1.00 0.00 C ATOM 146 C GLU A 14 -7.252 0.254 3.658 1.00 0.00 C ATOM 147 O GLU A 14 -7.839 0.167 2.580 1.00 0.00 O ATOM 148 CB GLU A 14 -7.819 1.715 5.633 1.00 0.00 C ATOM 149 CG GLU A 14 -9.117 2.243 6.248 1.00 0.00 C ATOM 150 CD GLU A 14 -9.378 3.689 5.821 1.00 0.00 C ATOM 151 OE1 GLU A 14 -8.771 4.584 6.448 1.00 0.00 O ATOM 152 OE2 GLU A 14 -10.179 3.867 4.878 1.00 0.00 O ATOM 0 H GLU A 14 -7.523 -0.450 6.829 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.102 0.271 4.734 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.057 1.624 6.407 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.444 2.428 4.899 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.952 1.613 5.941 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.058 2.186 7.335 1.00 0.00 H new ATOM 159 N ILE A 15 -5.935 0.268 3.795 1.00 0.00 N ATOM 160 CA ILE A 15 -5.060 0.178 2.638 1.00 0.00 C ATOM 161 C ILE A 15 -5.520 -0.977 1.746 1.00 0.00 C ATOM 162 O ILE A 15 -5.589 -0.835 0.527 1.00 0.00 O ATOM 163 CB ILE A 15 -3.599 0.071 3.078 1.00 0.00 C ATOM 164 CG1 ILE A 15 -3.178 1.301 3.886 1.00 0.00 C ATOM 165 CG2 ILE A 15 -2.681 -0.167 1.878 1.00 0.00 C ATOM 166 CD1 ILE A 15 -1.960 0.993 4.759 1.00 0.00 C ATOM 0 H ILE A 15 -5.452 0.340 4.690 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.123 1.088 2.041 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.503 -0.794 3.734 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.946 2.123 3.209 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.006 1.629 4.514 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.648 -0.239 2.219 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.965 -1.095 1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.775 0.663 1.178 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.682 1.884 5.322 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.203 0.187 5.451 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.126 0.689 4.126 1.00 0.00 H new ATOM 178 N GLU A 16 -5.822 -2.096 2.390 1.00 0.00 N ATOM 179 CA GLU A 16 -6.273 -3.275 1.670 1.00 0.00 C ATOM 180 C GLU A 16 -7.595 -2.987 0.956 1.00 0.00 C ATOM 181 O GLU A 16 -7.654 -2.987 -0.272 1.00 0.00 O ATOM 182 CB GLU A 16 -6.407 -4.474 2.611 1.00 0.00 C ATOM 183 CG GLU A 16 -5.054 -4.845 3.223 1.00 0.00 C ATOM 184 CD GLU A 16 -4.804 -6.351 3.126 1.00 0.00 C ATOM 185 OE1 GLU A 16 -5.682 -7.104 3.599 1.00 0.00 O ATOM 186 OE2 GLU A 16 -3.740 -6.715 2.581 1.00 0.00 O ATOM 0 H GLU A 16 -5.763 -2.211 3.402 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.525 -3.527 0.919 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.117 -4.241 3.404 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.809 -5.327 2.064 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.258 -4.307 2.709 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.026 -4.534 4.267 1.00 0.00 H new ATOM 193 N ASN A 17 -8.624 -2.750 1.757 1.00 0.00 N ATOM 194 CA ASN A 17 -9.942 -2.462 1.217 1.00 0.00 C ATOM 195 C ASN A 17 -9.797 -1.582 -0.027 1.00 0.00 C ATOM 196 O ASN A 17 -10.388 -1.870 -1.066 1.00 0.00 O ATOM 197 CB ASN A 17 -10.800 -1.706 2.233 1.00 0.00 C ATOM 198 CG ASN A 17 -11.811 -2.641 2.900 1.00 0.00 C ATOM 199 OD1 ASN A 17 -12.678 -3.215 2.262 1.00 0.00 O ATOM 200 ND2 ASN A 17 -11.652 -2.761 4.215 1.00 0.00 N ATOM 0 H ASN A 17 -8.571 -2.752 2.776 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.422 -3.410 0.974 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.160 -1.256 2.992 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.326 -0.891 1.736 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.277 -3.362 4.752 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.905 -2.252 4.687 1.00 0.00 H new ATOM 207 N ARG A 18 -9.008 -0.528 0.121 1.00 0.00 N ATOM 208 CA ARG A 18 -8.779 0.395 -0.977 1.00 0.00 C ATOM 209 C ARG A 18 -8.387 -0.372 -2.242 1.00 0.00 C ATOM 210 O ARG A 18 -8.950 -0.141 -3.311 1.00 0.00 O ATOM 211 CB ARG A 18 -7.674 1.396 -0.633 1.00 0.00 C ATOM 212 CG ARG A 18 -8.217 2.827 -0.616 1.00 0.00 C ATOM 213 CD ARG A 18 -9.048 3.113 -1.868 1.00 0.00 C ATOM 214 NE ARG A 18 -8.539 4.326 -2.547 1.00 0.00 N ATOM 215 CZ ARG A 18 -9.209 4.992 -3.497 1.00 0.00 C ATOM 216 NH1 ARG A 18 -10.420 4.568 -3.886 1.00 0.00 N ATOM 217 NH2 ARG A 18 -8.670 6.082 -4.058 1.00 0.00 N ATOM 0 H ARG A 18 -8.519 -0.293 0.985 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.707 0.940 -1.151 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.248 1.153 0.341 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.867 1.318 -1.362 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.829 2.977 0.273 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.389 3.533 -0.556 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.004 2.261 -2.546 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.095 3.250 -1.596 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.621 4.677 -2.275 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.831 3.738 -3.459 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.930 5.075 -4.609 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.749 6.405 -3.762 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.180 6.589 -4.781 1.00 0.00 H new ATOM 231 N ILE A 19 -7.426 -1.268 -2.078 1.00 0.00 N ATOM 232 CA ILE A 19 -6.952 -2.070 -3.194 1.00 0.00 C ATOM 233 C ILE A 19 -8.108 -2.912 -3.737 1.00 0.00 C ATOM 234 O ILE A 19 -8.274 -3.036 -4.950 1.00 0.00 O ATOM 235 CB ILE A 19 -5.732 -2.895 -2.781 1.00 0.00 C ATOM 236 CG1 ILE A 19 -4.632 -1.998 -2.208 1.00 0.00 C ATOM 237 CG2 ILE A 19 -5.227 -3.749 -3.946 1.00 0.00 C ATOM 238 CD1 ILE A 19 -3.837 -2.729 -1.124 1.00 0.00 C ATOM 0 H ILE A 19 -6.962 -1.457 -1.189 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.613 -1.429 -4.008 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.035 -3.579 -1.988 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.960 -1.684 -3.007 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.076 -1.094 -1.791 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.359 -4.325 -3.625 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.016 -4.429 -4.267 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.946 -3.102 -4.777 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.062 -2.069 -0.734 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.507 -3.020 -0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.375 -3.619 -1.550 1.00 0.00 H new ATOM 250 N ILE A 20 -8.878 -3.469 -2.814 1.00 0.00 N ATOM 251 CA ILE A 20 -10.014 -4.296 -3.185 1.00 0.00 C ATOM 252 C ILE A 20 -10.942 -3.498 -4.102 1.00 0.00 C ATOM 253 O ILE A 20 -11.253 -3.934 -5.209 1.00 0.00 O ATOM 254 CB ILE A 20 -10.706 -4.847 -1.937 1.00 0.00 C ATOM 255 CG1 ILE A 20 -9.695 -5.496 -0.990 1.00 0.00 C ATOM 256 CG2 ILE A 20 -11.836 -5.808 -2.316 1.00 0.00 C ATOM 257 CD1 ILE A 20 -8.755 -6.433 -1.751 1.00 0.00 C ATOM 0 H ILE A 20 -8.738 -3.364 -1.809 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.683 -5.168 -3.748 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.159 -4.013 -1.401 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.115 -4.723 -0.486 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.222 -6.054 -0.216 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -12.312 -6.185 -1.411 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -12.574 -5.281 -2.921 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -11.428 -6.642 -2.886 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.046 -6.881 -1.055 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.336 -7.219 -2.233 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.212 -5.867 -2.508 1.00 0.00 H new ATOM 269 N GLU A 21 -11.358 -2.341 -3.608 1.00 0.00 N ATOM 270 CA GLU A 21 -12.245 -1.478 -4.369 1.00 0.00 C ATOM 271 C GLU A 21 -11.678 -1.236 -5.769 1.00 0.00 C ATOM 272 O GLU A 21 -12.430 -1.097 -6.732 1.00 0.00 O ATOM 273 CB GLU A 21 -12.483 -0.155 -3.637 1.00 0.00 C ATOM 274 CG GLU A 21 -13.557 -0.310 -2.559 1.00 0.00 C ATOM 275 CD GLU A 21 -14.667 0.727 -2.737 1.00 0.00 C ATOM 276 OE1 GLU A 21 -14.313 1.910 -2.933 1.00 0.00 O ATOM 277 OE2 GLU A 21 -15.845 0.314 -2.674 1.00 0.00 O ATOM 0 H GLU A 21 -11.097 -1.981 -2.690 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.208 -1.978 -4.470 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.553 0.185 -3.182 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -12.787 0.610 -4.351 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.981 -1.313 -2.605 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.106 -0.199 -1.573 1.00 0.00 H new ATOM 284 N LEU A 22 -10.355 -1.192 -5.837 1.00 0.00 N ATOM 285 CA LEU A 22 -9.678 -0.970 -7.103 1.00 0.00 C ATOM 286 C LEU A 22 -9.711 -2.258 -7.928 1.00 0.00 C ATOM 287 O LEU A 22 -10.193 -2.263 -9.060 1.00 0.00 O ATOM 288 CB LEU A 22 -8.268 -0.426 -6.868 1.00 0.00 C ATOM 289 CG LEU A 22 -8.091 1.083 -7.053 1.00 0.00 C ATOM 290 CD1 LEU A 22 -7.339 1.695 -5.870 1.00 0.00 C ATOM 291 CD2 LEU A 22 -7.411 1.395 -8.388 1.00 0.00 C ATOM 0 H LEU A 22 -9.734 -1.306 -5.036 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.197 -0.207 -7.683 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.964 -0.686 -5.854 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.585 -0.938 -7.546 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.079 1.543 -7.079 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.226 2.768 -6.026 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.900 1.519 -4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.354 1.235 -5.788 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.297 2.474 -8.495 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.429 0.922 -8.416 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.022 1.012 -9.206 1.00 0.00 H new ATOM 303 N CYS A 23 -9.193 -3.320 -7.329 1.00 0.00 N ATOM 304 CA CYS A 23 -9.157 -4.612 -7.993 1.00 0.00 C ATOM 305 C CYS A 23 -10.545 -4.893 -8.572 1.00 0.00 C ATOM 306 O CYS A 23 -10.675 -5.607 -9.565 1.00 0.00 O ATOM 307 CB CYS A 23 -8.697 -5.722 -7.047 1.00 0.00 C ATOM 308 SG CYS A 23 -7.006 -5.369 -6.442 1.00 0.00 S ATOM 0 H CYS A 23 -8.794 -3.312 -6.390 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.426 -4.588 -8.801 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.384 -5.801 -6.205 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.714 -6.682 -7.564 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.004 -4.244 -5.791 1.00 0.00 H new ATOM 314 N HIS A 24 -11.548 -4.317 -7.926 1.00 0.00 N ATOM 315 CA HIS A 24 -12.922 -4.496 -8.364 1.00 0.00 C ATOM 316 C HIS A 24 -13.214 -3.556 -9.535 1.00 0.00 C ATOM 317 O HIS A 24 -13.880 -3.943 -10.495 1.00 0.00 O ATOM 318 CB HIS A 24 -13.893 -4.309 -7.197 1.00 0.00 C ATOM 319 CG HIS A 24 -14.263 -5.593 -6.493 1.00 0.00 C ATOM 320 ND1 HIS A 24 -14.602 -6.750 -7.174 1.00 0.00 N ATOM 321 CD2 HIS A 24 -14.342 -5.891 -5.165 1.00 0.00 C ATOM 322 CE1 HIS A 24 -14.872 -7.694 -6.285 1.00 0.00 C ATOM 323 NE2 HIS A 24 -14.711 -7.160 -5.040 1.00 0.00 N ATOM 0 H HIS A 24 -11.437 -3.726 -7.102 1.00 0.00 H new ATOM 0 HA HIS A 24 -13.064 -5.517 -8.719 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -13.448 -3.625 -6.474 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -14.802 -3.835 -7.567 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -14.139 -5.210 -4.352 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -15.168 -8.709 -6.507 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -14.851 -7.654 -4.159 1.00 0.00 H new ATOM 331 N GLN A 25 -12.703 -2.340 -9.418 1.00 0.00 N ATOM 332 CA GLN A 25 -12.900 -1.342 -10.455 1.00 0.00 C ATOM 333 C GLN A 25 -12.246 -1.796 -11.761 1.00 0.00 C ATOM 334 O GLN A 25 -12.725 -1.470 -12.846 1.00 0.00 O ATOM 335 CB GLN A 25 -12.360 0.020 -10.015 1.00 0.00 C ATOM 336 CG GLN A 25 -13.478 0.897 -9.449 1.00 0.00 C ATOM 337 CD GLN A 25 -14.625 1.039 -10.452 1.00 0.00 C ATOM 338 OE1 GLN A 25 -14.434 1.367 -11.611 1.00 0.00 O ATOM 339 NE2 GLN A 25 -15.825 0.772 -9.942 1.00 0.00 N ATOM 0 H GLN A 25 -12.152 -2.023 -8.620 1.00 0.00 H new ATOM 0 HA GLN A 25 -13.971 -1.233 -10.628 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.585 -0.119 -9.261 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.894 0.521 -10.863 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.852 0.462 -8.522 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.082 1.882 -9.202 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -15.914 0.503 -8.962 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -16.655 0.837 -10.531 1.00 0.00 H new ATOM 348 N PHE A 26 -11.160 -2.542 -11.613 1.00 0.00 N ATOM 349 CA PHE A 26 -10.435 -3.044 -12.768 1.00 0.00 C ATOM 350 C PHE A 26 -10.408 -4.574 -12.775 1.00 0.00 C ATOM 351 O PHE A 26 -9.685 -5.189 -11.993 1.00 0.00 O ATOM 352 CB PHE A 26 -9.001 -2.521 -12.658 1.00 0.00 C ATOM 353 CG PHE A 26 -8.897 -0.995 -12.617 1.00 0.00 C ATOM 354 CD1 PHE A 26 -9.110 -0.330 -11.450 1.00 0.00 C ATOM 355 CD2 PHE A 26 -8.592 -0.304 -13.748 1.00 0.00 C ATOM 356 CE1 PHE A 26 -9.013 1.087 -11.413 1.00 0.00 C ATOM 357 CE2 PHE A 26 -8.495 1.112 -13.711 1.00 0.00 C ATOM 358 CZ PHE A 26 -8.708 1.778 -12.544 1.00 0.00 C ATOM 0 H PHE A 26 -10.765 -2.810 -10.712 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.920 -2.711 -13.686 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.544 -2.930 -11.757 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.424 -2.892 -13.505 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -9.353 -0.879 -10.552 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.424 -0.833 -14.675 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -9.182 1.616 -10.486 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -8.252 1.660 -14.609 1.00 0.00 H new ATOM 0 HZ PHE A 26 -8.635 2.855 -12.516 1.00 0.00 H new ATOM 368 N PRO A 27 -11.226 -5.159 -13.691 1.00 0.00 N ATOM 369 CA PRO A 27 -11.302 -6.605 -13.810 1.00 0.00 C ATOM 370 C PRO A 27 -10.061 -7.164 -14.510 1.00 0.00 C ATOM 371 O PRO A 27 -9.817 -8.369 -14.480 1.00 0.00 O ATOM 372 CB PRO A 27 -12.587 -6.869 -14.579 1.00 0.00 C ATOM 373 CG PRO A 27 -12.940 -5.558 -15.262 1.00 0.00 C ATOM 374 CD PRO A 27 -12.096 -4.462 -14.633 1.00 0.00 C ATOM 0 HA PRO A 27 -11.322 -7.106 -12.842 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.448 -7.665 -15.310 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.385 -7.187 -13.908 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.747 -5.621 -16.333 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -14.001 -5.339 -15.142 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.517 -3.927 -15.386 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.718 -3.725 -14.126 1.00 0.00 H new ATOM 382 N HIS A 28 -9.311 -6.261 -15.124 1.00 0.00 N ATOM 383 CA HIS A 28 -8.102 -6.648 -15.831 1.00 0.00 C ATOM 384 C HIS A 28 -6.912 -6.613 -14.869 1.00 0.00 C ATOM 385 O HIS A 28 -6.011 -7.445 -14.959 1.00 0.00 O ATOM 386 CB HIS A 28 -7.891 -5.773 -17.068 1.00 0.00 C ATOM 387 CG HIS A 28 -9.122 -5.621 -17.929 1.00 0.00 C ATOM 388 ND1 HIS A 28 -9.593 -4.390 -18.351 1.00 0.00 N ATOM 389 CD2 HIS A 28 -9.971 -6.556 -18.443 1.00 0.00 C ATOM 390 CE1 HIS A 28 -10.679 -4.588 -19.085 1.00 0.00 C ATOM 391 NE2 HIS A 28 -10.911 -5.930 -19.140 1.00 0.00 N ATOM 0 H HIS A 28 -9.517 -5.262 -15.147 1.00 0.00 H new ATOM 0 HA HIS A 28 -8.201 -7.671 -16.195 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.559 -4.785 -16.749 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -7.089 -6.200 -17.670 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.892 -7.624 -18.306 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.275 -3.821 -19.557 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -11.681 -6.379 -19.636 1.00 0.00 H new ATOM 399 N GLY A 29 -6.948 -5.639 -13.971 1.00 0.00 N ATOM 400 CA GLY A 29 -5.883 -5.484 -12.993 1.00 0.00 C ATOM 401 C GLY A 29 -5.463 -4.018 -12.869 1.00 0.00 C ATOM 402 O GLY A 29 -5.928 -3.169 -13.628 1.00 0.00 O ATOM 0 H GLY A 29 -7.697 -4.950 -13.900 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.218 -5.854 -12.024 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.025 -6.089 -13.286 1.00 0.00 H new ATOM 406 N ILE A 30 -4.589 -3.766 -11.906 1.00 0.00 N ATOM 407 CA ILE A 30 -4.101 -2.418 -11.672 1.00 0.00 C ATOM 408 C ILE A 30 -2.577 -2.448 -11.533 1.00 0.00 C ATOM 409 O ILE A 30 -2.005 -3.472 -11.162 1.00 0.00 O ATOM 410 CB ILE A 30 -4.815 -1.789 -10.474 1.00 0.00 C ATOM 411 CG1 ILE A 30 -4.395 -2.466 -9.168 1.00 0.00 C ATOM 412 CG2 ILE A 30 -6.333 -1.810 -10.668 1.00 0.00 C ATOM 413 CD1 ILE A 30 -5.082 -1.814 -7.966 1.00 0.00 C ATOM 0 H ILE A 30 -4.206 -4.473 -11.278 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.332 -1.777 -12.523 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.513 -0.744 -10.406 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.649 -3.525 -9.206 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.313 -2.401 -9.052 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.817 -1.357 -9.802 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.593 -1.247 -11.565 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.672 -2.840 -10.775 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.766 -2.314 -7.051 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.807 -0.760 -7.917 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.163 -1.902 -8.073 1.00 0.00 H new ATOM 425 N THR A 31 -1.964 -1.314 -11.837 1.00 0.00 N ATOM 426 CA THR A 31 -0.519 -1.198 -11.751 1.00 0.00 C ATOM 427 C THR A 31 -0.124 -0.318 -10.563 1.00 0.00 C ATOM 428 O THR A 31 -0.828 0.634 -10.231 1.00 0.00 O ATOM 429 CB THR A 31 -0.005 -0.672 -13.093 1.00 0.00 C ATOM 430 OG1 THR A 31 -0.603 0.615 -13.213 1.00 0.00 O ATOM 431 CG2 THR A 31 -0.566 -1.456 -14.282 1.00 0.00 C ATOM 0 H THR A 31 -2.442 -0.467 -12.143 1.00 0.00 H new ATOM 0 HA THR A 31 -0.056 -2.167 -11.566 1.00 0.00 H new ATOM 0 HB THR A 31 1.084 -0.718 -13.108 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.322 1.029 -14.055 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.170 -1.043 -15.210 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.274 -2.503 -14.198 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.653 -1.382 -14.286 1.00 0.00 H new ATOM 439 N ASP A 32 1.000 -0.669 -9.955 1.00 0.00 N ATOM 440 CA ASP A 32 1.496 0.077 -8.811 1.00 0.00 C ATOM 441 C ASP A 32 1.290 1.574 -9.055 1.00 0.00 C ATOM 442 O ASP A 32 1.105 2.341 -8.112 1.00 0.00 O ATOM 443 CB ASP A 32 2.992 -0.166 -8.602 1.00 0.00 C ATOM 444 CG ASP A 32 3.417 -0.362 -7.145 1.00 0.00 C ATOM 445 OD1 ASP A 32 2.843 -1.268 -6.503 1.00 0.00 O ATOM 446 OD2 ASP A 32 4.307 0.398 -6.707 1.00 0.00 O ATOM 0 H ASP A 32 1.581 -1.460 -10.233 1.00 0.00 H new ATOM 0 HA ASP A 32 0.949 -0.256 -7.929 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.285 -1.048 -9.172 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.543 0.679 -9.015 1.00 0.00 H new ATOM 451 N GLN A 33 1.329 1.944 -10.327 1.00 0.00 N ATOM 452 CA GLN A 33 1.150 3.335 -10.707 1.00 0.00 C ATOM 453 C GLN A 33 -0.246 3.818 -10.307 1.00 0.00 C ATOM 454 O GLN A 33 -0.384 4.834 -9.627 1.00 0.00 O ATOM 455 CB GLN A 33 1.389 3.529 -12.206 1.00 0.00 C ATOM 456 CG GLN A 33 1.571 5.010 -12.544 1.00 0.00 C ATOM 457 CD GLN A 33 1.815 5.204 -14.043 1.00 0.00 C ATOM 458 OE1 GLN A 33 1.493 4.361 -14.864 1.00 0.00 O ATOM 459 NE2 GLN A 33 2.400 6.357 -14.351 1.00 0.00 N ATOM 0 H GLN A 33 1.482 1.305 -11.107 1.00 0.00 H new ATOM 0 HA GLN A 33 1.888 3.935 -10.175 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.274 2.971 -12.512 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.547 3.125 -12.768 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.685 5.568 -12.241 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.411 5.415 -11.980 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.643 7.018 -13.614 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.606 6.580 -15.325 1.00 0.00 H new ATOM 468 N VAL A 34 -1.246 3.068 -10.747 1.00 0.00 N ATOM 469 CA VAL A 34 -2.625 3.407 -10.443 1.00 0.00 C ATOM 470 C VAL A 34 -2.755 3.708 -8.949 1.00 0.00 C ATOM 471 O VAL A 34 -3.015 4.846 -8.561 1.00 0.00 O ATOM 472 CB VAL A 34 -3.555 2.286 -10.911 1.00 0.00 C ATOM 473 CG1 VAL A 34 -5.002 2.565 -10.498 1.00 0.00 C ATOM 474 CG2 VAL A 34 -3.447 2.078 -12.423 1.00 0.00 C ATOM 0 H VAL A 34 -1.128 2.227 -11.312 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.925 4.306 -10.982 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.239 1.364 -10.423 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.642 1.753 -10.843 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.063 2.639 -9.412 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.333 3.503 -10.944 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.118 1.276 -12.729 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.723 2.998 -12.938 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.422 1.812 -12.681 1.00 0.00 H new ATOM 484 N ILE A 35 -2.569 2.667 -8.150 1.00 0.00 N ATOM 485 CA ILE A 35 -2.663 2.805 -6.707 1.00 0.00 C ATOM 486 C ILE A 35 -1.869 4.036 -6.264 1.00 0.00 C ATOM 487 O ILE A 35 -2.158 4.624 -5.223 1.00 0.00 O ATOM 488 CB ILE A 35 -2.227 1.512 -6.015 1.00 0.00 C ATOM 489 CG1 ILE A 35 -3.186 0.365 -6.341 1.00 0.00 C ATOM 490 CG2 ILE A 35 -2.074 1.720 -4.508 1.00 0.00 C ATOM 491 CD1 ILE A 35 -2.430 -0.955 -6.498 1.00 0.00 C ATOM 0 H ILE A 35 -2.354 1.724 -8.475 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.698 2.967 -6.407 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.247 1.232 -6.402 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.928 0.271 -5.548 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.728 0.589 -7.260 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.763 0.785 -4.041 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.322 2.486 -4.321 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.028 2.037 -4.086 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.135 -1.753 -6.729 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.705 -0.865 -7.307 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.909 -1.189 -5.569 1.00 0.00 H new ATOM 503 N GLN A 36 -0.885 4.390 -7.077 1.00 0.00 N ATOM 504 CA GLN A 36 -0.048 5.541 -6.783 1.00 0.00 C ATOM 505 C GLN A 36 -0.843 6.836 -6.965 1.00 0.00 C ATOM 506 O GLN A 36 -0.871 7.682 -6.073 1.00 0.00 O ATOM 507 CB GLN A 36 1.209 5.542 -7.654 1.00 0.00 C ATOM 508 CG GLN A 36 2.435 5.976 -6.848 1.00 0.00 C ATOM 509 CD GLN A 36 3.684 6.023 -7.730 1.00 0.00 C ATOM 510 OE1 GLN A 36 3.919 6.965 -8.468 1.00 0.00 O ATOM 511 NE2 GLN A 36 4.468 4.955 -7.614 1.00 0.00 N ATOM 0 H GLN A 36 -0.648 3.900 -7.940 1.00 0.00 H new ATOM 0 HA GLN A 36 0.271 5.477 -5.743 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.373 4.545 -8.063 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.069 6.215 -8.500 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.258 6.958 -6.410 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.595 5.283 -6.022 1.00 0.00 H new ATOM 0 HE21 GLN A 36 4.212 4.201 -6.977 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.326 4.890 -8.162 1.00 0.00 H new ATOM 520 N ASN A 37 -1.469 6.949 -8.128 1.00 0.00 N ATOM 521 CA ASN A 37 -2.261 8.127 -8.439 1.00 0.00 C ATOM 522 C ASN A 37 -3.565 8.084 -7.639 1.00 0.00 C ATOM 523 O ASN A 37 -4.240 9.102 -7.490 1.00 0.00 O ATOM 524 CB ASN A 37 -2.620 8.172 -9.925 1.00 0.00 C ATOM 525 CG ASN A 37 -2.048 9.426 -10.589 1.00 0.00 C ATOM 526 OD1 ASN A 37 -2.047 10.510 -10.030 1.00 0.00 O ATOM 527 ND2 ASN A 37 -1.564 9.219 -11.810 1.00 0.00 N ATOM 0 H ASN A 37 -1.444 6.245 -8.865 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.672 9.008 -8.183 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.233 7.283 -10.423 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.704 8.156 -10.042 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.161 9.994 -12.337 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.596 8.285 -12.220 1.00 0.00 H new ATOM 534 N GLU A 38 -3.880 6.896 -7.144 1.00 0.00 N ATOM 535 CA GLU A 38 -5.091 6.708 -6.363 1.00 0.00 C ATOM 536 C GLU A 38 -4.813 6.969 -4.882 1.00 0.00 C ATOM 537 O GLU A 38 -5.522 7.744 -4.241 1.00 0.00 O ATOM 538 CB GLU A 38 -5.667 5.306 -6.574 1.00 0.00 C ATOM 539 CG GLU A 38 -6.067 5.092 -8.035 1.00 0.00 C ATOM 540 CD GLU A 38 -7.119 6.114 -8.471 1.00 0.00 C ATOM 541 OE1 GLU A 38 -8.084 6.300 -7.699 1.00 0.00 O ATOM 542 OE2 GLU A 38 -6.933 6.687 -9.567 1.00 0.00 O ATOM 0 H GLU A 38 -3.318 6.054 -7.269 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.836 7.427 -6.705 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.930 4.558 -6.282 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.536 5.165 -5.931 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.187 5.176 -8.673 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.459 4.083 -8.164 1.00 0.00 H new ATOM 549 N MET A 39 -3.780 6.308 -4.381 1.00 0.00 N ATOM 550 CA MET A 39 -3.399 6.460 -2.987 1.00 0.00 C ATOM 551 C MET A 39 -1.896 6.712 -2.853 1.00 0.00 C ATOM 552 O MET A 39 -1.161 5.857 -2.360 1.00 0.00 O ATOM 553 CB MET A 39 -3.776 5.194 -2.214 1.00 0.00 C ATOM 554 CG MET A 39 -5.211 4.767 -2.527 1.00 0.00 C ATOM 555 SD MET A 39 -5.219 3.138 -3.257 1.00 0.00 S ATOM 556 CE MET A 39 -4.624 2.177 -1.875 1.00 0.00 C ATOM 0 H MET A 39 -3.195 5.666 -4.915 1.00 0.00 H new ATOM 0 HA MET A 39 -3.930 7.319 -2.576 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.089 4.388 -2.472 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.671 5.372 -1.144 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.807 4.768 -1.614 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.671 5.482 -3.209 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.940 1.140 -1.990 1.00 0.00 H new ATOM 0 HE2 MET A 39 -3.535 2.223 -1.842 1.00 0.00 H new ATOM 0 HE3 MET A 39 -5.033 2.580 -0.949 1.00 0.00 H new ATOM 566 N PRO A 40 -1.473 7.920 -3.311 1.00 0.00 N ATOM 567 CA PRO A 40 -0.071 8.296 -3.248 1.00 0.00 C ATOM 568 C PRO A 40 0.335 8.658 -1.818 1.00 0.00 C ATOM 569 O PRO A 40 1.512 8.887 -1.542 1.00 0.00 O ATOM 570 CB PRO A 40 0.070 9.458 -4.217 1.00 0.00 C ATOM 571 CG PRO A 40 -1.337 9.990 -4.437 1.00 0.00 C ATOM 572 CD PRO A 40 -2.315 8.957 -3.901 1.00 0.00 C ATOM 0 HA PRO A 40 0.596 7.480 -3.527 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.720 10.231 -3.808 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.515 9.131 -5.157 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.469 10.943 -3.925 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.515 10.171 -5.497 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.984 9.393 -3.159 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.941 8.554 -4.697 1.00 0.00 H new ATOM 580 N HIS A 41 -0.661 8.698 -0.946 1.00 0.00 N ATOM 581 CA HIS A 41 -0.422 9.028 0.449 1.00 0.00 C ATOM 582 C HIS A 41 0.013 7.772 1.206 1.00 0.00 C ATOM 583 O HIS A 41 0.418 7.851 2.365 1.00 0.00 O ATOM 584 CB HIS A 41 -1.652 9.696 1.067 1.00 0.00 C ATOM 585 CG HIS A 41 -2.911 8.868 0.980 1.00 0.00 C ATOM 586 ND1 HIS A 41 -3.865 9.056 -0.005 1.00 0.00 N ATOM 587 CD2 HIS A 41 -3.362 7.846 1.762 1.00 0.00 C ATOM 588 CE1 HIS A 41 -4.842 8.182 0.187 1.00 0.00 C ATOM 589 NE2 HIS A 41 -4.529 7.433 1.283 1.00 0.00 N ATOM 0 H HIS A 41 -1.636 8.507 -1.178 1.00 0.00 H new ATOM 0 HA HIS A 41 0.389 9.753 0.521 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -1.446 9.915 2.115 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -1.822 10.651 0.569 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -2.855 7.441 2.625 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -5.731 8.080 -0.418 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -5.098 6.680 1.670 1.00 0.00 H new ATOM 597 N ILE A 42 -0.085 6.642 0.521 1.00 0.00 N ATOM 598 CA ILE A 42 0.294 5.371 1.114 1.00 0.00 C ATOM 599 C ILE A 42 1.820 5.264 1.148 1.00 0.00 C ATOM 600 O ILE A 42 2.515 6.051 0.508 1.00 0.00 O ATOM 601 CB ILE A 42 -0.389 4.214 0.383 1.00 0.00 C ATOM 602 CG1 ILE A 42 -1.884 4.483 0.205 1.00 0.00 C ATOM 603 CG2 ILE A 42 -0.126 2.885 1.093 1.00 0.00 C ATOM 604 CD1 ILE A 42 -2.681 3.961 1.403 1.00 0.00 C ATOM 0 H ILE A 42 -0.422 6.580 -0.440 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.052 5.313 2.146 1.00 0.00 H new ATOM 0 HB ILE A 42 0.045 4.137 -0.614 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.053 5.554 0.089 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.237 4.004 -0.708 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.623 2.079 0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.947 2.694 1.123 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.514 2.933 2.110 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.741 4.165 1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.528 2.886 1.501 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.342 4.460 2.311 1.00 0.00 H new ATOM 616 N GLU A 43 2.295 4.282 1.900 1.00 0.00 N ATOM 617 CA GLU A 43 3.726 4.061 2.025 1.00 0.00 C ATOM 618 C GLU A 43 4.177 2.950 1.075 1.00 0.00 C ATOM 619 O GLU A 43 3.350 2.209 0.544 1.00 0.00 O ATOM 620 CB GLU A 43 4.106 3.734 3.471 1.00 0.00 C ATOM 621 CG GLU A 43 4.687 4.961 4.176 1.00 0.00 C ATOM 622 CD GLU A 43 6.164 4.751 4.515 1.00 0.00 C ATOM 623 OE1 GLU A 43 6.423 3.990 5.473 1.00 0.00 O ATOM 624 OE2 GLU A 43 7.000 5.355 3.809 1.00 0.00 O ATOM 0 H GLU A 43 1.715 3.631 2.429 1.00 0.00 H new ATOM 0 HA GLU A 43 4.241 4.981 1.747 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.227 3.382 4.011 1.00 0.00 H new ATOM 0 HB3 GLU A 43 4.834 2.923 3.485 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.578 5.837 3.537 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.126 5.160 5.089 1.00 0.00 H new ATOM 631 N ALA A 44 5.486 2.869 0.889 1.00 0.00 N ATOM 632 CA ALA A 44 6.056 1.861 0.012 1.00 0.00 C ATOM 633 C ALA A 44 5.860 0.478 0.637 1.00 0.00 C ATOM 634 O ALA A 44 5.426 -0.455 -0.036 1.00 0.00 O ATOM 635 CB ALA A 44 7.530 2.182 -0.244 1.00 0.00 C ATOM 0 H ALA A 44 6.168 3.485 1.331 1.00 0.00 H new ATOM 0 HA ALA A 44 5.550 1.861 -0.953 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.958 1.426 -0.902 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.613 3.162 -0.715 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.071 2.188 0.702 1.00 0.00 H new ATOM 641 N GLN A 45 6.191 0.390 1.917 1.00 0.00 N ATOM 642 CA GLN A 45 6.057 -0.863 2.640 1.00 0.00 C ATOM 643 C GLN A 45 4.579 -1.192 2.862 1.00 0.00 C ATOM 644 O GLN A 45 4.198 -2.361 2.899 1.00 0.00 O ATOM 645 CB GLN A 45 6.814 -0.814 3.968 1.00 0.00 C ATOM 646 CG GLN A 45 8.166 -1.521 3.856 1.00 0.00 C ATOM 647 CD GLN A 45 9.092 -1.119 5.006 1.00 0.00 C ATOM 648 OE1 GLN A 45 8.667 -0.616 6.032 1.00 0.00 O ATOM 649 NE2 GLN A 45 10.378 -1.370 4.777 1.00 0.00 N ATOM 0 H GLN A 45 6.552 1.166 2.472 1.00 0.00 H new ATOM 0 HA GLN A 45 6.499 -1.657 2.038 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.966 0.223 4.266 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.217 -1.285 4.749 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.018 -2.601 3.864 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.633 -1.271 2.904 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.666 -1.793 3.895 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.076 -1.139 5.484 1.00 0.00 H new ATOM 658 N GLN A 46 3.787 -0.140 3.006 1.00 0.00 N ATOM 659 CA GLN A 46 2.360 -0.302 3.224 1.00 0.00 C ATOM 660 C GLN A 46 1.692 -0.873 1.971 1.00 0.00 C ATOM 661 O GLN A 46 1.072 -1.933 2.021 1.00 0.00 O ATOM 662 CB GLN A 46 1.714 1.022 3.634 1.00 0.00 C ATOM 663 CG GLN A 46 1.770 1.213 5.151 1.00 0.00 C ATOM 664 CD GLN A 46 1.460 2.662 5.534 1.00 0.00 C ATOM 665 OE1 GLN A 46 0.409 3.176 4.901 1.00 0.00 O flip ATOM 666 NE2 GLN A 46 2.131 3.273 6.349 1.00 0.00 N flip ATOM 0 H GLN A 46 4.107 0.828 2.976 1.00 0.00 H new ATOM 0 HA GLN A 46 2.216 -1.008 4.042 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.226 1.848 3.141 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.677 1.044 3.299 1.00 0.00 H new ATOM 0 HG2 GLN A 46 1.055 0.545 5.632 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.759 0.940 5.519 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.926 2.818 6.799 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.897 4.238 6.581 1.00 0.00 H new ATOM 675 N ARG A 47 1.843 -0.143 0.875 1.00 0.00 N ATOM 676 CA ARG A 47 1.263 -0.563 -0.389 1.00 0.00 C ATOM 677 C ARG A 47 1.589 -2.033 -0.661 1.00 0.00 C ATOM 678 O ARG A 47 0.726 -2.794 -1.095 1.00 0.00 O ATOM 679 CB ARG A 47 1.786 0.291 -1.546 1.00 0.00 C ATOM 680 CG ARG A 47 0.703 1.241 -2.060 1.00 0.00 C ATOM 681 CD ARG A 47 1.047 1.761 -3.457 1.00 0.00 C ATOM 682 NE ARG A 47 1.148 3.237 -3.438 1.00 0.00 N ATOM 683 CZ ARG A 47 2.208 3.912 -2.971 1.00 0.00 C ATOM 684 NH1 ARG A 47 3.263 3.247 -2.483 1.00 0.00 N ATOM 685 NH2 ARG A 47 2.211 5.252 -2.993 1.00 0.00 N ATOM 0 H ARG A 47 2.359 0.736 0.837 1.00 0.00 H new ATOM 0 HA ARG A 47 0.183 -0.434 -0.317 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.652 0.865 -1.216 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.122 -0.355 -2.357 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.256 0.724 -2.087 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.594 2.080 -1.373 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.989 1.328 -3.793 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.282 1.450 -4.168 1.00 0.00 H new ATOM 0 HE ARG A 47 0.362 3.775 -3.803 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.260 2.227 -2.467 1.00 0.00 H new ATOM 0 HH12 ARG A 47 4.070 3.760 -2.128 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.407 5.758 -3.365 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.017 5.766 -2.638 1.00 0.00 H new ATOM 699 N ALA A 48 2.838 -2.388 -0.394 1.00 0.00 N ATOM 700 CA ALA A 48 3.289 -3.753 -0.604 1.00 0.00 C ATOM 701 C ALA A 48 2.615 -4.671 0.418 1.00 0.00 C ATOM 702 O ALA A 48 1.996 -5.668 0.048 1.00 0.00 O ATOM 703 CB ALA A 48 4.815 -3.806 -0.517 1.00 0.00 C ATOM 0 H ALA A 48 3.551 -1.754 -0.034 1.00 0.00 H new ATOM 0 HA ALA A 48 3.007 -4.102 -1.597 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.153 -4.830 -0.675 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.246 -3.160 -1.282 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.135 -3.466 0.468 1.00 0.00 H new ATOM 709 N VAL A 49 2.758 -4.303 1.682 1.00 0.00 N ATOM 710 CA VAL A 49 2.171 -5.081 2.760 1.00 0.00 C ATOM 711 C VAL A 49 0.759 -5.514 2.359 1.00 0.00 C ATOM 712 O VAL A 49 0.501 -6.701 2.167 1.00 0.00 O ATOM 713 CB VAL A 49 2.204 -4.279 4.062 1.00 0.00 C ATOM 714 CG1 VAL A 49 1.104 -4.743 5.019 1.00 0.00 C ATOM 715 CG2 VAL A 49 3.580 -4.365 4.725 1.00 0.00 C ATOM 0 H VAL A 49 3.272 -3.476 1.985 1.00 0.00 H new ATOM 0 HA VAL A 49 2.751 -5.987 2.938 1.00 0.00 H new ATOM 0 HB VAL A 49 2.016 -3.234 3.816 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.149 -4.157 5.937 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.130 -4.606 4.548 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.248 -5.798 5.254 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.576 -3.786 5.649 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.811 -5.406 4.950 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.335 -3.964 4.049 1.00 0.00 H new ATOM 725 N ALA A 50 -0.118 -4.527 2.246 1.00 0.00 N ATOM 726 CA ALA A 50 -1.497 -4.792 1.872 1.00 0.00 C ATOM 727 C ALA A 50 -1.523 -5.758 0.686 1.00 0.00 C ATOM 728 O ALA A 50 -2.254 -6.747 0.702 1.00 0.00 O ATOM 729 CB ALA A 50 -2.205 -3.471 1.564 1.00 0.00 C ATOM 0 H ALA A 50 0.099 -3.543 2.407 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.033 -5.266 2.694 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.239 -3.669 1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.185 -2.833 2.447 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.696 -2.969 0.742 1.00 0.00 H new ATOM 735 N ILE A 51 -0.717 -5.437 -0.316 1.00 0.00 N ATOM 736 CA ILE A 51 -0.639 -6.263 -1.508 1.00 0.00 C ATOM 737 C ILE A 51 -0.281 -7.696 -1.107 1.00 0.00 C ATOM 738 O ILE A 51 -1.063 -8.620 -1.328 1.00 0.00 O ATOM 739 CB ILE A 51 0.327 -5.650 -2.523 1.00 0.00 C ATOM 740 CG1 ILE A 51 -0.330 -4.490 -3.274 1.00 0.00 C ATOM 741 CG2 ILE A 51 0.871 -6.716 -3.476 1.00 0.00 C ATOM 742 CD1 ILE A 51 0.709 -3.683 -4.055 1.00 0.00 C ATOM 0 H ILE A 51 -0.112 -4.616 -0.326 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.607 -6.303 -2.008 1.00 0.00 H new ATOM 0 HB ILE A 51 1.178 -5.240 -1.980 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.085 -4.877 -3.959 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.844 -3.839 -2.567 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.555 -6.253 -4.187 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.402 -7.478 -2.905 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.044 -7.178 -4.016 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.215 -2.865 -4.579 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.449 -3.277 -3.365 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.204 -4.331 -4.778 1.00 0.00 H new ATOM 754 N ASN A 52 0.900 -7.836 -0.524 1.00 0.00 N ATOM 755 CA ASN A 52 1.370 -9.141 -0.090 1.00 0.00 C ATOM 756 C ASN A 52 0.246 -9.861 0.657 1.00 0.00 C ATOM 757 O ASN A 52 -0.110 -10.988 0.313 1.00 0.00 O ATOM 758 CB ASN A 52 2.561 -9.008 0.862 1.00 0.00 C ATOM 759 CG ASN A 52 3.630 -10.058 0.553 1.00 0.00 C ATOM 760 OD1 ASN A 52 3.341 -11.189 0.197 1.00 0.00 O ATOM 761 ND2 ASN A 52 4.877 -9.622 0.707 1.00 0.00 N ATOM 0 H ASN A 52 1.546 -7.068 -0.342 1.00 0.00 H new ATOM 0 HA ASN A 52 1.675 -9.701 -0.974 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.991 -8.010 0.775 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.222 -9.121 1.892 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.662 -10.247 0.524 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.048 -8.663 1.008 1.00 0.00 H new ATOM 768 N ARG A 53 -0.282 -9.182 1.664 1.00 0.00 N ATOM 769 CA ARG A 53 -1.359 -9.743 2.462 1.00 0.00 C ATOM 770 C ARG A 53 -2.455 -10.305 1.554 1.00 0.00 C ATOM 771 O ARG A 53 -2.746 -11.500 1.592 1.00 0.00 O ATOM 772 CB ARG A 53 -1.966 -8.688 3.389 1.00 0.00 C ATOM 773 CG ARG A 53 -1.402 -8.813 4.805 1.00 0.00 C ATOM 774 CD ARG A 53 -0.782 -7.492 5.267 1.00 0.00 C ATOM 775 NE ARG A 53 -1.643 -6.860 6.291 1.00 0.00 N ATOM 776 CZ ARG A 53 -1.837 -7.357 7.521 1.00 0.00 C ATOM 777 NH1 ARG A 53 -1.232 -8.495 7.886 1.00 0.00 N ATOM 778 NH2 ARG A 53 -2.636 -6.715 8.384 1.00 0.00 N ATOM 0 H ARG A 53 0.016 -8.248 1.946 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.938 -10.544 3.069 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.758 -7.692 2.998 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.050 -8.801 3.414 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.196 -9.106 5.492 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.650 -9.601 4.832 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.212 -7.671 5.676 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.661 -6.821 4.417 1.00 0.00 H new ATOM 0 HE ARG A 53 -2.119 -5.992 6.046 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.624 -8.983 7.228 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.379 -8.873 8.822 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.096 -5.849 8.105 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.784 -7.093 9.320 1.00 0.00 H new ATOM 792 N LEU A 54 -3.034 -9.417 0.759 1.00 0.00 N ATOM 793 CA LEU A 54 -4.091 -9.810 -0.157 1.00 0.00 C ATOM 794 C LEU A 54 -3.599 -10.963 -1.033 1.00 0.00 C ATOM 795 O LEU A 54 -4.286 -11.973 -1.180 1.00 0.00 O ATOM 796 CB LEU A 54 -4.586 -8.601 -0.953 1.00 0.00 C ATOM 797 CG LEU A 54 -5.213 -7.470 -0.135 1.00 0.00 C ATOM 798 CD1 LEU A 54 -5.953 -6.483 -1.040 1.00 0.00 C ATOM 799 CD2 LEU A 54 -6.117 -8.026 0.967 1.00 0.00 C ATOM 0 H LEU A 54 -2.791 -8.427 0.730 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.957 -10.176 0.395 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.746 -8.193 -1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.320 -8.946 -1.681 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.411 -6.918 0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.389 -5.689 -0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.253 -6.050 -1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.745 -7.005 -1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.550 -7.201 1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.916 -8.617 0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.530 -8.656 1.635 1.00 0.00 H new ATOM 811 N LEU A 55 -2.413 -10.775 -1.593 1.00 0.00 N ATOM 812 CA LEU A 55 -1.821 -11.787 -2.451 1.00 0.00 C ATOM 813 C LEU A 55 -1.965 -13.158 -1.788 1.00 0.00 C ATOM 814 O LEU A 55 -2.382 -14.121 -2.430 1.00 0.00 O ATOM 815 CB LEU A 55 -0.376 -11.419 -2.795 1.00 0.00 C ATOM 816 CG LEU A 55 -0.195 -10.259 -3.776 1.00 0.00 C ATOM 817 CD1 LEU A 55 1.287 -9.931 -3.970 1.00 0.00 C ATOM 818 CD2 LEU A 55 -0.896 -10.548 -5.104 1.00 0.00 C ATOM 0 H LEU A 55 -1.846 -9.936 -1.469 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.349 -11.836 -3.404 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.145 -11.171 -1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.113 -12.300 -3.210 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.668 -9.375 -3.349 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.388 -9.103 -4.672 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.726 -9.650 -3.013 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.805 -10.806 -4.364 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.751 -9.707 -5.782 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.475 -11.450 -5.549 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.962 -10.693 -4.929 1.00 0.00 H new ATOM 830 N SER A 56 -1.611 -13.204 -0.512 1.00 0.00 N ATOM 831 CA SER A 56 -1.696 -14.442 0.244 1.00 0.00 C ATOM 832 C SER A 56 -3.153 -14.733 0.610 1.00 0.00 C ATOM 833 O SER A 56 -3.693 -15.774 0.241 1.00 0.00 O ATOM 834 CB SER A 56 -0.835 -14.375 1.507 1.00 0.00 C ATOM 835 OG SER A 56 -0.306 -15.651 1.860 1.00 0.00 O ATOM 0 H SER A 56 -1.265 -12.404 0.017 1.00 0.00 H new ATOM 0 HA SER A 56 -1.317 -15.251 -0.380 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.016 -13.673 1.351 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.432 -13.989 2.333 1.00 0.00 H new ATOM 0 HG SER A 56 0.239 -15.566 2.670 1.00 0.00 H new ATOM 841 N MET A 57 -3.748 -13.794 1.331 1.00 0.00 N ATOM 842 CA MET A 57 -5.132 -13.936 1.750 1.00 0.00 C ATOM 843 C MET A 57 -5.975 -14.583 0.649 1.00 0.00 C ATOM 844 O MET A 57 -6.858 -15.391 0.932 1.00 0.00 O ATOM 845 CB MET A 57 -5.706 -12.560 2.092 1.00 0.00 C ATOM 846 CG MET A 57 -5.009 -11.964 3.317 1.00 0.00 C ATOM 847 SD MET A 57 -6.224 -11.412 4.502 1.00 0.00 S ATOM 848 CE MET A 57 -6.049 -9.644 4.325 1.00 0.00 C ATOM 0 H MET A 57 -3.297 -12.932 1.636 1.00 0.00 H new ATOM 0 HA MET A 57 -5.162 -14.580 2.629 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.587 -11.891 1.240 1.00 0.00 H new ATOM 0 HB3 MET A 57 -6.776 -12.646 2.284 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.357 -12.709 3.773 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.377 -11.129 3.016 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.336 -9.155 5.256 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.012 -9.402 4.093 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.692 -9.294 3.518 1.00 0.00 H new ATOM 858 N GLY A 58 -5.672 -14.202 -0.583 1.00 0.00 N ATOM 859 CA GLY A 58 -6.391 -14.735 -1.728 1.00 0.00 C ATOM 860 C GLY A 58 -7.462 -13.753 -2.208 1.00 0.00 C ATOM 861 O GLY A 58 -8.400 -14.143 -2.902 1.00 0.00 O ATOM 0 H GLY A 58 -4.939 -13.531 -0.814 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.691 -14.940 -2.538 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.856 -15.684 -1.461 1.00 0.00 H new ATOM 865 N GLN A 59 -7.287 -12.499 -1.819 1.00 0.00 N ATOM 866 CA GLN A 59 -8.227 -11.458 -2.200 1.00 0.00 C ATOM 867 C GLN A 59 -7.714 -10.705 -3.429 1.00 0.00 C ATOM 868 O GLN A 59 -8.503 -10.170 -4.207 1.00 0.00 O ATOM 869 CB GLN A 59 -8.485 -10.499 -1.037 1.00 0.00 C ATOM 870 CG GLN A 59 -8.917 -11.262 0.217 1.00 0.00 C ATOM 871 CD GLN A 59 -10.429 -11.159 0.427 1.00 0.00 C ATOM 872 OE1 GLN A 59 -11.224 -11.712 -0.315 1.00 0.00 O ATOM 873 NE2 GLN A 59 -10.780 -10.423 1.478 1.00 0.00 N ATOM 0 H GLN A 59 -6.508 -12.180 -1.243 1.00 0.00 H new ATOM 0 HA GLN A 59 -9.176 -11.928 -2.456 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.582 -9.927 -0.826 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -9.258 -9.783 -1.316 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.629 -12.309 0.127 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.397 -10.862 1.088 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.063 -9.988 2.058 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.766 -10.294 1.704 1.00 0.00 H new ATOM 882 N LEU A 60 -6.396 -10.686 -3.565 1.00 0.00 N ATOM 883 CA LEU A 60 -5.770 -10.006 -4.686 1.00 0.00 C ATOM 884 C LEU A 60 -5.105 -11.041 -5.597 1.00 0.00 C ATOM 885 O LEU A 60 -4.646 -12.081 -5.129 1.00 0.00 O ATOM 886 CB LEU A 60 -4.813 -8.921 -4.188 1.00 0.00 C ATOM 887 CG LEU A 60 -3.978 -8.219 -5.261 1.00 0.00 C ATOM 888 CD1 LEU A 60 -4.872 -7.638 -6.358 1.00 0.00 C ATOM 889 CD2 LEU A 60 -3.069 -7.157 -4.640 1.00 0.00 C ATOM 0 H LEU A 60 -5.745 -11.130 -2.918 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.519 -9.488 -5.284 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.395 -8.167 -3.657 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.134 -9.369 -3.462 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.332 -8.961 -5.731 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.254 -7.145 -7.108 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.440 -8.441 -6.827 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.560 -6.914 -5.921 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.486 -6.673 -5.424 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.677 -6.412 -4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.394 -7.628 -3.925 1.00 0.00 H new ATOM 901 N ASP A 61 -5.076 -10.719 -6.882 1.00 0.00 N ATOM 902 CA ASP A 61 -4.476 -11.607 -7.863 1.00 0.00 C ATOM 903 C ASP A 61 -3.306 -10.893 -8.543 1.00 0.00 C ATOM 904 O ASP A 61 -3.486 -9.837 -9.149 1.00 0.00 O ATOM 905 CB ASP A 61 -5.485 -11.997 -8.944 1.00 0.00 C ATOM 906 CG ASP A 61 -5.848 -13.482 -8.985 1.00 0.00 C ATOM 907 OD1 ASP A 61 -5.180 -14.250 -8.259 1.00 0.00 O ATOM 908 OD2 ASP A 61 -6.785 -13.817 -9.741 1.00 0.00 O ATOM 0 H ASP A 61 -5.459 -9.855 -7.266 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.140 -12.505 -7.344 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.397 -11.420 -8.793 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.083 -11.710 -9.916 1.00 0.00 H new ATOM 913 N LEU A 62 -2.133 -11.497 -8.421 1.00 0.00 N ATOM 914 CA LEU A 62 -0.935 -10.932 -9.017 1.00 0.00 C ATOM 915 C LEU A 62 -0.799 -11.435 -10.455 1.00 0.00 C ATOM 916 O LEU A 62 -0.783 -12.642 -10.695 1.00 0.00 O ATOM 917 CB LEU A 62 0.287 -11.226 -8.144 1.00 0.00 C ATOM 918 CG LEU A 62 1.297 -10.085 -7.997 1.00 0.00 C ATOM 919 CD1 LEU A 62 2.596 -10.582 -7.360 1.00 0.00 C ATOM 920 CD2 LEU A 62 1.543 -9.395 -9.339 1.00 0.00 C ATOM 0 H LEU A 62 -1.987 -12.372 -7.918 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.010 -9.846 -9.066 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.061 -11.507 -7.150 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.804 -12.092 -8.558 1.00 0.00 H new ATOM 0 HG LEU A 62 0.874 -9.338 -7.325 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.296 -9.752 -7.267 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.384 -10.990 -6.372 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.035 -11.358 -7.987 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.264 -8.588 -9.207 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.935 -10.119 -10.054 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.605 -8.985 -9.715 1.00 0.00 H new ATOM 932 N LEU A 63 -0.704 -10.486 -11.374 1.00 0.00 N ATOM 933 CA LEU A 63 -0.570 -10.818 -12.782 1.00 0.00 C ATOM 934 C LEU A 63 0.678 -10.136 -13.347 1.00 0.00 C ATOM 935 O LEU A 63 0.682 -8.926 -13.566 1.00 0.00 O ATOM 936 CB LEU A 63 -1.854 -10.474 -13.539 1.00 0.00 C ATOM 937 CG LEU A 63 -2.465 -11.603 -14.373 1.00 0.00 C ATOM 938 CD1 LEU A 63 -3.993 -11.549 -14.332 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.928 -11.577 -15.805 1.00 0.00 C ATOM 0 H LEU A 63 -0.717 -9.486 -11.171 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.431 -11.892 -12.908 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.599 -10.138 -12.817 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.648 -9.632 -14.200 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.165 -12.554 -13.934 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.402 -12.362 -14.932 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.333 -11.652 -13.302 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.334 -10.595 -14.733 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.377 -12.389 -16.377 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.178 -10.624 -16.270 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.845 -11.700 -15.790 1.00 0.00 H new ATOM 951 N ARG A 64 1.706 -10.942 -13.566 1.00 0.00 N ATOM 952 CA ARG A 64 2.957 -10.431 -14.100 1.00 0.00 C ATOM 953 C ARG A 64 2.827 -10.174 -15.603 1.00 0.00 C ATOM 954 O ARG A 64 2.601 -11.103 -16.377 1.00 0.00 O ATOM 955 CB ARG A 64 4.104 -11.414 -13.855 1.00 0.00 C ATOM 956 CG ARG A 64 4.343 -11.615 -12.357 1.00 0.00 C ATOM 957 CD ARG A 64 5.675 -12.324 -12.105 1.00 0.00 C ATOM 958 NE ARG A 64 5.869 -12.534 -10.653 1.00 0.00 N ATOM 959 CZ ARG A 64 6.885 -13.229 -10.124 1.00 0.00 C ATOM 960 NH1 ARG A 64 7.806 -13.785 -10.924 1.00 0.00 N ATOM 961 NH2 ARG A 64 6.981 -13.369 -8.795 1.00 0.00 N ATOM 0 H ARG A 64 1.698 -11.945 -13.383 1.00 0.00 H new ATOM 0 HA ARG A 64 3.179 -9.496 -13.586 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.873 -12.372 -14.322 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.014 -11.041 -14.325 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.340 -10.649 -11.852 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.529 -12.201 -11.930 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.691 -13.282 -12.625 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.495 -11.729 -12.508 1.00 0.00 H new ATOM 0 HE ARG A 64 5.187 -12.124 -10.015 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.733 -13.679 -11.936 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.579 -14.314 -10.521 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.281 -12.946 -8.186 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.755 -13.898 -8.392 1.00 0.00 H new ATOM 975 N SER A 65 2.975 -8.910 -15.970 1.00 0.00 N ATOM 976 CA SER A 65 2.876 -8.520 -17.366 1.00 0.00 C ATOM 977 C SER A 65 4.057 -7.624 -17.744 1.00 0.00 C ATOM 978 O SER A 65 4.885 -7.292 -16.896 1.00 0.00 O ATOM 979 CB SER A 65 1.555 -7.802 -17.646 1.00 0.00 C ATOM 980 OG SER A 65 1.512 -7.254 -18.961 1.00 0.00 O ATOM 0 H SER A 65 3.163 -8.143 -15.325 1.00 0.00 H new ATOM 0 HA SER A 65 2.903 -9.423 -17.975 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.728 -8.501 -17.518 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.414 -7.005 -16.916 1.00 0.00 H new ATOM 0 HG SER A 65 0.652 -6.806 -19.101 1.00 0.00 H new ATOM 1021 N LEU A 69 4.481 -5.781 -12.864 1.00 0.00 N ATOM 1022 CA LEU A 69 3.450 -6.715 -12.443 1.00 0.00 C ATOM 1023 C LEU A 69 2.105 -5.988 -12.381 1.00 0.00 C ATOM 1024 O LEU A 69 2.058 -4.759 -12.388 1.00 0.00 O ATOM 1025 CB LEU A 69 3.844 -7.392 -11.129 1.00 0.00 C ATOM 1026 CG LEU A 69 5.345 -7.545 -10.877 1.00 0.00 C ATOM 1027 CD1 LEU A 69 5.611 -8.500 -9.712 1.00 0.00 C ATOM 1028 CD2 LEU A 69 6.073 -7.979 -12.151 1.00 0.00 C ATOM 0 HA LEU A 69 3.345 -7.520 -13.170 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.414 -6.821 -10.306 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.389 -8.382 -11.103 1.00 0.00 H new ATOM 0 HG LEU A 69 5.745 -6.571 -10.593 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.686 -8.591 -9.554 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.143 -8.110 -8.808 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.194 -9.480 -9.943 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.138 -8.080 -11.945 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.676 -8.936 -12.489 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.924 -7.230 -12.928 1.00 0.00 H new ATOM 1040 N LEU A 70 1.043 -6.779 -12.323 1.00 0.00 N ATOM 1041 CA LEU A 70 -0.299 -6.226 -12.261 1.00 0.00 C ATOM 1042 C LEU A 70 -1.066 -6.890 -11.115 1.00 0.00 C ATOM 1043 O LEU A 70 -0.698 -7.972 -10.662 1.00 0.00 O ATOM 1044 CB LEU A 70 -0.993 -6.350 -13.618 1.00 0.00 C ATOM 1045 CG LEU A 70 -2.521 -6.258 -13.602 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -3.066 -5.946 -14.997 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -3.140 -7.527 -13.015 1.00 0.00 C ATOM 0 H LEU A 70 1.085 -7.798 -12.318 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.262 -5.158 -12.045 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.609 -5.568 -14.273 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.711 -7.305 -14.062 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.807 -5.431 -12.953 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.154 -5.886 -14.958 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.662 -4.994 -15.341 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.771 -6.736 -15.688 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.226 -7.436 -13.015 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.848 -8.387 -13.618 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.788 -7.664 -11.993 1.00 0.00 H new ATOM 1059 N TYR A 71 -2.118 -6.213 -10.680 1.00 0.00 N ATOM 1060 CA TYR A 71 -2.941 -6.723 -9.596 1.00 0.00 C ATOM 1061 C TYR A 71 -4.428 -6.592 -9.927 1.00 0.00 C ATOM 1062 O TYR A 71 -4.928 -5.486 -10.130 1.00 0.00 O ATOM 1063 CB TYR A 71 -2.623 -5.852 -8.379 1.00 0.00 C ATOM 1064 CG TYR A 71 -1.130 -5.577 -8.184 1.00 0.00 C ATOM 1065 CD1 TYR A 71 -0.223 -6.614 -8.253 1.00 0.00 C ATOM 1066 CD2 TYR A 71 -0.692 -4.291 -7.938 1.00 0.00 C ATOM 1067 CE1 TYR A 71 1.182 -6.355 -8.069 1.00 0.00 C ATOM 1068 CE2 TYR A 71 0.713 -4.032 -7.755 1.00 0.00 C ATOM 1069 CZ TYR A 71 1.580 -5.077 -7.829 1.00 0.00 C ATOM 1070 OH TYR A 71 2.907 -4.832 -7.655 1.00 0.00 O ATOM 0 H TYR A 71 -2.420 -5.315 -11.058 1.00 0.00 H new ATOM 0 HA TYR A 71 -2.733 -7.779 -9.421 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -3.147 -4.901 -8.478 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -3.012 -6.339 -7.485 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.566 -7.620 -8.445 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -1.403 -3.480 -7.883 1.00 0.00 H new ATOM 0 HE1 TYR A 71 1.903 -7.158 -8.120 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.070 -3.031 -7.563 1.00 0.00 H new ATOM 0 HH TYR A 71 3.045 -3.875 -7.493 1.00 0.00 H new ATOM 1080 N ARG A 72 -5.095 -7.736 -9.972 1.00 0.00 N ATOM 1081 CA ARG A 72 -6.516 -7.762 -10.276 1.00 0.00 C ATOM 1082 C ARG A 72 -7.281 -8.497 -9.173 1.00 0.00 C ATOM 1083 O ARG A 72 -6.676 -9.042 -8.251 1.00 0.00 O ATOM 1084 CB ARG A 72 -6.780 -8.452 -11.616 1.00 0.00 C ATOM 1085 CG ARG A 72 -7.146 -9.924 -11.412 1.00 0.00 C ATOM 1086 CD ARG A 72 -7.121 -10.684 -12.740 1.00 0.00 C ATOM 1087 NE ARG A 72 -7.711 -12.030 -12.563 1.00 0.00 N ATOM 1088 CZ ARG A 72 -7.496 -13.059 -13.394 1.00 0.00 C ATOM 1089 NH1 ARG A 72 -6.703 -12.903 -14.463 1.00 0.00 N ATOM 1090 NH2 ARG A 72 -8.073 -14.244 -13.156 1.00 0.00 N ATOM 0 H ARG A 72 -4.678 -8.651 -9.803 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.861 -6.730 -10.337 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.589 -7.942 -12.139 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.895 -8.378 -12.248 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.447 -10.383 -10.713 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.138 -9.997 -10.965 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.678 -10.130 -13.496 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.096 -10.772 -13.099 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.319 -12.184 -11.759 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.263 -12.001 -14.644 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.539 -13.686 -15.095 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.676 -14.363 -12.342 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.909 -15.027 -13.789 1.00 0.00 H new ATOM 1104 N ILE A 73 -8.599 -8.486 -9.303 1.00 0.00 N ATOM 1105 CA ILE A 73 -9.453 -9.144 -8.329 1.00 0.00 C ATOM 1106 C ILE A 73 -9.323 -10.661 -8.485 1.00 0.00 C ATOM 1107 O ILE A 73 -9.542 -11.198 -9.569 1.00 0.00 O ATOM 1108 CB ILE A 73 -10.891 -8.635 -8.446 1.00 0.00 C ATOM 1109 CG1 ILE A 73 -11.299 -7.852 -7.196 1.00 0.00 C ATOM 1110 CG2 ILE A 73 -11.857 -9.784 -8.743 1.00 0.00 C ATOM 1111 CD1 ILE A 73 -10.990 -8.646 -5.926 1.00 0.00 C ATOM 0 H ILE A 73 -9.097 -8.032 -10.069 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.134 -8.899 -7.316 1.00 0.00 H new ATOM 0 HB ILE A 73 -10.942 -7.946 -9.289 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.770 -6.899 -7.171 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -12.364 -7.625 -7.237 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.872 -9.395 -8.821 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.578 -10.261 -9.683 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.810 -10.516 -7.937 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -11.290 -8.067 -5.053 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.539 -9.587 -5.943 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -9.921 -8.851 -5.876 1.00 0.00 H new ATOM 1123 N LYS A 74 -8.966 -11.308 -7.385 1.00 0.00 N ATOM 1124 CA LYS A 74 -8.804 -12.752 -7.386 1.00 0.00 C ATOM 1125 C LYS A 74 -10.129 -13.410 -7.776 1.00 0.00 C ATOM 1126 O LYS A 74 -11.152 -13.184 -7.131 1.00 0.00 O ATOM 1127 CB LYS A 74 -8.253 -13.230 -6.041 1.00 0.00 C ATOM 1128 CG LYS A 74 -7.498 -14.552 -6.196 1.00 0.00 C ATOM 1129 CD LYS A 74 -6.252 -14.579 -5.309 1.00 0.00 C ATOM 1130 CE LYS A 74 -5.794 -16.016 -5.050 1.00 0.00 C ATOM 1131 NZ LYS A 74 -4.358 -16.169 -5.374 1.00 0.00 N ATOM 0 H LYS A 74 -8.784 -10.859 -6.487 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.067 -13.052 -8.131 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.587 -12.473 -5.627 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.072 -13.356 -5.333 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.154 -15.382 -5.934 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.210 -14.690 -7.238 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.449 -14.018 -5.787 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.465 -14.085 -4.361 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.967 -16.276 -4.006 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.384 -16.706 -5.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.064 -17.150 -5.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.202 -15.941 -6.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.798 -15.524 -4.781 1.00 0.00 H new