USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=9 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 :FLIP amide:sc= -0.654 F(o=-2.1!,f=-0.65) USER MOD Single : A 23 CYS SG : rot 60:sc= -4.68! USER MOD Single : A 24 HIS : no HD1:sc= -0.26 K(o=-0.26,f=-1.1) USER MOD Single : A 25 GLN : amide:sc= -0.596 X(o=-0.6,f=-1) USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 THR OG1 : rot -120:sc= -2.54! USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc=-0.00505 X(o=-0.0051,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.332 K(o=-0.33,f=-2.3!) USER MOD Single : A 39 MET CE :methyl 172:sc= -0.157 (180deg=-0.262) USER MOD Single : A 41 HIS : no HD1:sc= -0.0525 X(o=-0.053,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 46 GLN : amide:sc= -0.0804 X(o=-0.08,f=-0.22) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -125:sc= -2.53! (180deg=-5.8!) USER MOD Single : A 59 GLN : amide:sc=-0.00661 X(o=-0.0066,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+ 158:sc= 0 (180deg=-0.241) USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 12 -3.961 -0.997 8.077 1.00 0.00 N ATOM 115 CA PRO A 12 -3.680 -1.959 7.025 1.00 0.00 C ATOM 116 C PRO A 12 -4.960 -2.350 6.284 1.00 0.00 C ATOM 117 O PRO A 12 -5.079 -2.126 5.080 1.00 0.00 O ATOM 118 CB PRO A 12 -3.020 -3.132 7.730 1.00 0.00 C ATOM 119 CG PRO A 12 -3.374 -2.986 9.201 1.00 0.00 C ATOM 120 CD PRO A 12 -3.921 -1.584 9.413 1.00 0.00 C ATOM 0 HA PRO A 12 -3.025 -1.557 6.252 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.382 -4.080 7.333 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.940 -3.118 7.585 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.114 -3.732 9.491 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.494 -3.150 9.823 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.913 -1.610 9.864 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.282 -1.006 10.081 1.00 0.00 H new ATOM 128 N VAL A 13 -5.886 -2.929 7.034 1.00 0.00 N ATOM 129 CA VAL A 13 -7.153 -3.354 6.464 1.00 0.00 C ATOM 130 C VAL A 13 -7.638 -2.300 5.466 1.00 0.00 C ATOM 131 O VAL A 13 -7.943 -2.621 4.319 1.00 0.00 O ATOM 132 CB VAL A 13 -8.163 -3.630 7.580 1.00 0.00 C ATOM 133 CG1 VAL A 13 -8.253 -2.445 8.543 1.00 0.00 C ATOM 134 CG2 VAL A 13 -9.538 -3.974 7.002 1.00 0.00 C ATOM 0 H VAL A 13 -5.784 -3.114 8.032 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.031 -4.288 5.916 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.812 -4.494 8.144 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.978 -2.667 9.326 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.276 -2.266 8.992 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.570 -1.556 7.997 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.237 -4.166 7.816 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.900 -3.139 6.402 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.458 -4.863 6.376 1.00 0.00 H new ATOM 144 N GLU A 14 -7.693 -1.064 5.940 1.00 0.00 N ATOM 145 CA GLU A 14 -8.135 0.039 5.104 1.00 0.00 C ATOM 146 C GLU A 14 -7.386 0.027 3.770 1.00 0.00 C ATOM 147 O GLU A 14 -8.004 -0.021 2.708 1.00 0.00 O ATOM 148 CB GLU A 14 -7.955 1.378 5.823 1.00 0.00 C ATOM 149 CG GLU A 14 -9.298 1.922 6.313 1.00 0.00 C ATOM 150 CD GLU A 14 -9.993 2.734 5.219 1.00 0.00 C ATOM 151 OE1 GLU A 14 -9.328 3.643 4.677 1.00 0.00 O ATOM 152 OE2 GLU A 14 -11.175 2.426 4.948 1.00 0.00 O ATOM 0 H GLU A 14 -7.439 -0.802 6.892 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.199 -0.087 4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.279 1.253 6.669 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.491 2.098 5.148 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.939 1.096 6.620 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.142 2.548 7.192 1.00 0.00 H new ATOM 159 N ILE A 15 -6.065 0.072 3.869 1.00 0.00 N ATOM 160 CA ILE A 15 -5.226 0.068 2.683 1.00 0.00 C ATOM 161 C ILE A 15 -5.640 -1.091 1.775 1.00 0.00 C ATOM 162 O ILE A 15 -5.930 -0.888 0.596 1.00 0.00 O ATOM 163 CB ILE A 15 -3.747 0.044 3.074 1.00 0.00 C ATOM 164 CG1 ILE A 15 -3.380 1.273 3.908 1.00 0.00 C ATOM 165 CG2 ILE A 15 -2.855 -0.098 1.839 1.00 0.00 C ATOM 166 CD1 ILE A 15 -2.106 1.025 4.719 1.00 0.00 C ATOM 0 H ILE A 15 -5.556 0.111 4.752 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.367 0.986 2.113 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.573 -0.832 3.699 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.237 2.132 3.253 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.202 1.519 4.581 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.809 -0.112 2.145 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.095 -1.027 1.322 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.025 0.744 1.169 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.867 1.914 5.303 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.261 0.181 5.391 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.281 0.803 4.042 1.00 0.00 H new ATOM 178 N GLU A 16 -5.656 -2.281 2.357 1.00 0.00 N ATOM 179 CA GLU A 16 -6.030 -3.473 1.614 1.00 0.00 C ATOM 180 C GLU A 16 -7.404 -3.286 0.968 1.00 0.00 C ATOM 181 O GLU A 16 -7.540 -3.382 -0.251 1.00 0.00 O ATOM 182 CB GLU A 16 -6.012 -4.709 2.515 1.00 0.00 C ATOM 183 CG GLU A 16 -4.655 -4.864 3.206 1.00 0.00 C ATOM 184 CD GLU A 16 -4.509 -6.257 3.820 1.00 0.00 C ATOM 185 OE1 GLU A 16 -5.220 -7.167 3.342 1.00 0.00 O ATOM 186 OE2 GLU A 16 -3.688 -6.382 4.755 1.00 0.00 O ATOM 0 H GLU A 16 -5.416 -2.446 3.335 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.296 -3.630 0.823 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.799 -4.628 3.265 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.226 -5.599 1.923 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.855 -4.694 2.486 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.550 -4.107 3.983 1.00 0.00 H new ATOM 193 N ASN A 17 -8.390 -3.022 1.814 1.00 0.00 N ATOM 194 CA ASN A 17 -9.749 -2.821 1.341 1.00 0.00 C ATOM 195 C ASN A 17 -9.728 -1.899 0.120 1.00 0.00 C ATOM 196 O ASN A 17 -10.348 -2.198 -0.899 1.00 0.00 O ATOM 197 CB ASN A 17 -10.614 -2.162 2.417 1.00 0.00 C ATOM 198 CG ASN A 17 -11.434 -3.207 3.177 1.00 0.00 C ATOM 199 OD1 ASN A 17 -11.208 -3.222 4.488 1.00 0.00 O flip ATOM 200 ND2 ASN A 17 -12.219 -3.950 2.611 1.00 0.00 N flip ATOM 0 H ASN A 17 -8.274 -2.943 2.824 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.167 -3.796 1.089 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.979 -1.615 3.114 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.282 -1.435 1.956 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.344 -3.885 1.601 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.750 -4.636 3.148 1.00 0.00 H new ATOM 207 N ARG A 18 -9.008 -0.796 0.264 1.00 0.00 N ATOM 208 CA ARG A 18 -8.898 0.172 -0.814 1.00 0.00 C ATOM 209 C ARG A 18 -8.501 -0.526 -2.116 1.00 0.00 C ATOM 210 O ARG A 18 -9.102 -0.286 -3.162 1.00 0.00 O ATOM 211 CB ARG A 18 -7.862 1.248 -0.484 1.00 0.00 C ATOM 212 CG ARG A 18 -8.473 2.647 -0.585 1.00 0.00 C ATOM 213 CD ARG A 18 -8.999 2.915 -1.997 1.00 0.00 C ATOM 214 NE ARG A 18 -8.823 4.344 -2.340 1.00 0.00 N ATOM 215 CZ ARG A 18 -9.259 4.904 -3.476 1.00 0.00 C ATOM 216 NH1 ARG A 18 -9.899 4.158 -4.387 1.00 0.00 N ATOM 217 NH2 ARG A 18 -9.056 6.208 -3.703 1.00 0.00 N ATOM 0 H ARG A 18 -8.495 -0.551 1.111 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.872 0.646 -0.934 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.475 1.088 0.522 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.017 1.166 -1.168 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.286 2.746 0.135 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.724 3.395 -0.324 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.468 2.292 -2.716 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.053 2.645 -2.059 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.339 4.940 -1.669 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.054 3.165 -4.215 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.231 4.584 -5.252 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.569 6.776 -3.010 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.389 6.633 -4.569 1.00 0.00 H new ATOM 231 N ILE A 19 -7.491 -1.377 -2.010 1.00 0.00 N ATOM 232 CA ILE A 19 -7.007 -2.113 -3.166 1.00 0.00 C ATOM 233 C ILE A 19 -8.136 -2.983 -3.720 1.00 0.00 C ATOM 234 O ILE A 19 -8.287 -3.112 -4.935 1.00 0.00 O ATOM 235 CB ILE A 19 -5.743 -2.898 -2.810 1.00 0.00 C ATOM 236 CG1 ILE A 19 -4.573 -1.954 -2.527 1.00 0.00 C ATOM 237 CG2 ILE A 19 -5.407 -3.918 -3.900 1.00 0.00 C ATOM 238 CD1 ILE A 19 -3.841 -2.357 -1.245 1.00 0.00 C ATOM 0 H ILE A 19 -6.994 -1.573 -1.141 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.715 -1.426 -3.960 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.934 -3.457 -1.894 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.878 -1.968 -3.367 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.940 -0.932 -2.435 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.504 -4.463 -3.623 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.235 -4.619 -4.010 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.242 -3.400 -4.845 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.014 -1.670 -1.067 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.533 -2.318 -0.403 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.454 -3.371 -1.350 1.00 0.00 H new ATOM 250 N ILE A 20 -8.901 -3.559 -2.805 1.00 0.00 N ATOM 251 CA ILE A 20 -10.013 -4.413 -3.187 1.00 0.00 C ATOM 252 C ILE A 20 -10.986 -3.617 -4.058 1.00 0.00 C ATOM 253 O ILE A 20 -11.314 -4.033 -5.168 1.00 0.00 O ATOM 254 CB ILE A 20 -10.662 -5.035 -1.949 1.00 0.00 C ATOM 255 CG1 ILE A 20 -9.624 -5.762 -1.092 1.00 0.00 C ATOM 256 CG2 ILE A 20 -11.824 -5.949 -2.340 1.00 0.00 C ATOM 257 CD1 ILE A 20 -8.688 -6.604 -1.961 1.00 0.00 C ATOM 0 H ILE A 20 -8.773 -3.451 -1.799 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.660 -5.251 -3.788 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.076 -4.231 -1.340 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.043 -5.035 -0.524 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.129 -6.402 -0.369 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -12.268 -6.378 -1.442 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -12.577 -5.371 -2.876 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -11.457 -6.750 -2.982 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.960 -7.110 -1.327 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.269 -7.345 -2.509 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.167 -5.957 -2.667 1.00 0.00 H new ATOM 269 N GLU A 21 -11.421 -2.486 -3.522 1.00 0.00 N ATOM 270 CA GLU A 21 -12.351 -1.629 -4.236 1.00 0.00 C ATOM 271 C GLU A 21 -11.832 -1.341 -5.646 1.00 0.00 C ATOM 272 O GLU A 21 -12.613 -1.234 -6.590 1.00 0.00 O ATOM 273 CB GLU A 21 -12.600 -0.329 -3.468 1.00 0.00 C ATOM 274 CG GLU A 21 -13.865 -0.430 -2.614 1.00 0.00 C ATOM 275 CD GLU A 21 -14.793 0.760 -2.865 1.00 0.00 C ATOM 276 OE1 GLU A 21 -15.054 1.034 -4.056 1.00 0.00 O ATOM 277 OE2 GLU A 21 -15.219 1.369 -1.860 1.00 0.00 O ATOM 0 H GLU A 21 -11.146 -2.144 -2.601 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.304 -2.151 -4.320 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.743 -0.109 -2.831 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -12.696 0.499 -4.170 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -14.389 -1.358 -2.842 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.594 -0.468 -1.559 1.00 0.00 H new ATOM 284 N LEU A 22 -10.516 -1.223 -5.745 1.00 0.00 N ATOM 285 CA LEU A 22 -9.883 -0.950 -7.024 1.00 0.00 C ATOM 286 C LEU A 22 -9.926 -2.211 -7.890 1.00 0.00 C ATOM 287 O LEU A 22 -10.438 -2.183 -9.007 1.00 0.00 O ATOM 288 CB LEU A 22 -8.472 -0.395 -6.816 1.00 0.00 C ATOM 289 CG LEU A 22 -8.325 1.124 -6.926 1.00 0.00 C ATOM 290 CD1 LEU A 22 -7.679 1.705 -5.667 1.00 0.00 C ATOM 291 CD2 LEU A 22 -7.560 1.510 -8.194 1.00 0.00 C ATOM 0 H LEU A 22 -9.871 -1.311 -4.960 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.430 -0.175 -7.561 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.124 -0.703 -5.830 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.810 -0.858 -7.547 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.321 1.559 -7.006 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.586 2.786 -5.771 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.300 1.476 -4.801 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.690 1.267 -5.530 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.469 2.595 -8.248 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.566 1.064 -8.169 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.099 1.147 -9.069 1.00 0.00 H new ATOM 303 N CYS A 23 -9.382 -3.286 -7.340 1.00 0.00 N ATOM 304 CA CYS A 23 -9.352 -4.555 -8.048 1.00 0.00 C ATOM 305 C CYS A 23 -10.740 -4.808 -8.638 1.00 0.00 C ATOM 306 O CYS A 23 -10.871 -5.484 -9.658 1.00 0.00 O ATOM 307 CB CYS A 23 -8.901 -5.700 -7.138 1.00 0.00 C ATOM 308 SG CYS A 23 -7.227 -5.357 -6.483 1.00 0.00 S ATOM 0 H CYS A 23 -8.958 -3.305 -6.412 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.619 -4.508 -8.853 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.605 -5.820 -6.315 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.898 -6.638 -7.694 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.246 -4.250 -5.802 1.00 0.00 H new ATOM 314 N HIS A 24 -11.742 -4.252 -7.973 1.00 0.00 N ATOM 315 CA HIS A 24 -13.116 -4.409 -8.419 1.00 0.00 C ATOM 316 C HIS A 24 -13.378 -3.483 -9.609 1.00 0.00 C ATOM 317 O HIS A 24 -13.993 -3.890 -10.593 1.00 0.00 O ATOM 318 CB HIS A 24 -14.092 -4.180 -7.264 1.00 0.00 C ATOM 319 CG HIS A 24 -14.431 -5.432 -6.490 1.00 0.00 C ATOM 320 ND1 HIS A 24 -14.842 -6.603 -7.102 1.00 0.00 N ATOM 321 CD2 HIS A 24 -14.416 -5.683 -5.149 1.00 0.00 C ATOM 322 CE1 HIS A 24 -15.062 -7.511 -6.162 1.00 0.00 C ATOM 323 NE2 HIS A 24 -14.798 -6.938 -4.953 1.00 0.00 N ATOM 0 H HIS A 24 -11.630 -3.692 -7.128 1.00 0.00 H new ATOM 0 HA HIS A 24 -13.278 -5.433 -8.757 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -13.664 -3.447 -6.580 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -15.012 -3.749 -7.659 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -14.140 -4.979 -4.378 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -15.392 -8.526 -6.325 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -14.881 -7.399 -4.047 1.00 0.00 H new ATOM 331 N GLN A 25 -12.897 -2.255 -9.479 1.00 0.00 N ATOM 332 CA GLN A 25 -13.072 -1.268 -10.531 1.00 0.00 C ATOM 333 C GLN A 25 -12.353 -1.717 -11.805 1.00 0.00 C ATOM 334 O GLN A 25 -12.855 -1.515 -12.909 1.00 0.00 O ATOM 335 CB GLN A 25 -12.579 0.108 -10.079 1.00 0.00 C ATOM 336 CG GLN A 25 -13.740 0.970 -9.582 1.00 0.00 C ATOM 337 CD GLN A 25 -14.840 1.072 -10.640 1.00 0.00 C ATOM 338 OE1 GLN A 25 -14.595 1.026 -11.834 1.00 0.00 O ATOM 339 NE2 GLN A 25 -16.064 1.213 -10.137 1.00 0.00 N ATOM 0 H GLN A 25 -12.386 -1.921 -8.661 1.00 0.00 H new ATOM 0 HA GLN A 25 -14.137 -1.183 -10.749 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.842 -0.009 -9.284 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.078 0.609 -10.907 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -14.149 0.542 -8.667 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.377 1.967 -9.333 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -16.200 1.244 -9.127 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -16.866 1.290 -10.762 1.00 0.00 H new ATOM 348 N PHE A 26 -11.189 -2.319 -11.608 1.00 0.00 N ATOM 349 CA PHE A 26 -10.396 -2.798 -12.728 1.00 0.00 C ATOM 350 C PHE A 26 -10.301 -4.325 -12.718 1.00 0.00 C ATOM 351 O PHE A 26 -9.553 -4.899 -11.927 1.00 0.00 O ATOM 352 CB PHE A 26 -8.993 -2.210 -12.566 1.00 0.00 C ATOM 353 CG PHE A 26 -8.969 -0.687 -12.424 1.00 0.00 C ATOM 354 CD1 PHE A 26 -9.253 -0.112 -11.224 1.00 0.00 C ATOM 355 CD2 PHE A 26 -8.663 0.092 -13.496 1.00 0.00 C ATOM 356 CE1 PHE A 26 -9.230 1.302 -11.092 1.00 0.00 C ATOM 357 CE2 PHE A 26 -8.641 1.505 -13.364 1.00 0.00 C ATOM 358 CZ PHE A 26 -8.925 2.081 -12.165 1.00 0.00 C ATOM 0 H PHE A 26 -10.776 -2.486 -10.690 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.858 -2.496 -13.668 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.523 -2.654 -11.688 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.390 -2.494 -13.428 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -9.496 -0.730 -10.372 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.437 -0.365 -14.448 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -9.455 1.759 -10.140 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -8.399 2.123 -14.216 1.00 0.00 H new ATOM 0 HZ PHE A 26 -8.908 3.156 -12.065 1.00 0.00 H new ATOM 368 N PRO A 27 -11.089 -4.956 -13.629 1.00 0.00 N ATOM 369 CA PRO A 27 -11.100 -6.405 -13.733 1.00 0.00 C ATOM 370 C PRO A 27 -9.834 -6.916 -14.423 1.00 0.00 C ATOM 371 O PRO A 27 -9.424 -8.056 -14.212 1.00 0.00 O ATOM 372 CB PRO A 27 -12.369 -6.735 -14.502 1.00 0.00 C ATOM 373 CG PRO A 27 -12.779 -5.448 -15.200 1.00 0.00 C ATOM 374 CD PRO A 27 -11.986 -4.309 -14.582 1.00 0.00 C ATOM 0 HA PRO A 27 -11.100 -6.896 -12.760 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.192 -7.532 -15.224 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.154 -7.082 -13.830 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.581 -5.514 -16.270 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.849 -5.275 -15.084 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.428 -3.758 -15.339 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.642 -3.594 -14.086 1.00 0.00 H new ATOM 382 N HIS A 28 -9.249 -6.046 -15.234 1.00 0.00 N ATOM 383 CA HIS A 28 -8.038 -6.395 -15.957 1.00 0.00 C ATOM 384 C HIS A 28 -6.852 -6.415 -14.991 1.00 0.00 C ATOM 385 O HIS A 28 -5.942 -7.231 -15.135 1.00 0.00 O ATOM 386 CB HIS A 28 -7.821 -5.451 -17.141 1.00 0.00 C ATOM 387 CG HIS A 28 -8.918 -5.505 -18.178 1.00 0.00 C ATOM 388 ND1 HIS A 28 -9.111 -6.594 -19.009 1.00 0.00 N ATOM 389 CD2 HIS A 28 -9.877 -4.593 -18.509 1.00 0.00 C ATOM 390 CE1 HIS A 28 -10.143 -6.339 -19.800 1.00 0.00 C ATOM 391 NE2 HIS A 28 -10.616 -5.098 -19.489 1.00 0.00 N ATOM 0 H HIS A 28 -9.591 -5.101 -15.406 1.00 0.00 H new ATOM 0 HA HIS A 28 -8.137 -7.396 -16.378 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.737 -4.430 -16.768 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -6.872 -5.695 -17.618 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -10.012 -3.624 -18.051 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.540 -6.998 -20.558 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -11.407 -4.635 -19.936 1.00 0.00 H new ATOM 399 N GLY A 29 -6.899 -5.508 -14.026 1.00 0.00 N ATOM 400 CA GLY A 29 -5.840 -5.411 -13.036 1.00 0.00 C ATOM 401 C GLY A 29 -5.460 -3.951 -12.781 1.00 0.00 C ATOM 402 O GLY A 29 -5.963 -3.049 -13.448 1.00 0.00 O ATOM 0 H GLY A 29 -7.655 -4.833 -13.909 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.165 -5.874 -12.104 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.965 -5.964 -13.379 1.00 0.00 H new ATOM 406 N ILE A 30 -4.575 -3.765 -11.813 1.00 0.00 N ATOM 407 CA ILE A 30 -4.121 -2.430 -11.460 1.00 0.00 C ATOM 408 C ILE A 30 -2.605 -2.448 -11.258 1.00 0.00 C ATOM 409 O ILE A 30 -2.075 -3.332 -10.586 1.00 0.00 O ATOM 410 CB ILE A 30 -4.897 -1.902 -10.252 1.00 0.00 C ATOM 411 CG1 ILE A 30 -4.591 -2.728 -9.000 1.00 0.00 C ATOM 412 CG2 ILE A 30 -6.397 -1.843 -10.546 1.00 0.00 C ATOM 413 CD1 ILE A 30 -5.224 -2.097 -7.759 1.00 0.00 C ATOM 0 H ILE A 30 -4.160 -4.516 -11.262 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.326 -1.731 -12.271 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.567 -0.882 -10.054 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.967 -3.743 -9.129 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.512 -2.803 -8.864 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.925 -1.464 -9.671 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.576 -1.180 -11.393 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.761 -2.842 -10.785 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.991 -2.703 -6.884 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.827 -1.091 -7.620 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.305 -2.046 -7.888 1.00 0.00 H new ATOM 425 N THR A 31 -1.949 -1.461 -11.851 1.00 0.00 N ATOM 426 CA THR A 31 -0.504 -1.353 -11.744 1.00 0.00 C ATOM 427 C THR A 31 -0.122 -0.481 -10.546 1.00 0.00 C ATOM 428 O THR A 31 -0.835 0.462 -10.207 1.00 0.00 O ATOM 429 CB THR A 31 0.030 -0.823 -13.076 1.00 0.00 C ATOM 430 OG1 THR A 31 -0.570 0.463 -13.204 1.00 0.00 O ATOM 431 CG2 THR A 31 -0.507 -1.607 -14.276 1.00 0.00 C ATOM 0 H THR A 31 -2.392 -0.729 -12.407 1.00 0.00 H new ATOM 0 HA THR A 31 -0.047 -2.325 -11.558 1.00 0.00 H new ATOM 0 HB THR A 31 1.119 -0.866 -13.073 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.114 0.491 -14.019 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.097 -1.190 -15.196 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.212 -2.653 -14.189 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.595 -1.537 -14.299 1.00 0.00 H new ATOM 439 N ASP A 32 1.003 -0.827 -9.938 1.00 0.00 N ATOM 440 CA ASP A 32 1.489 -0.088 -8.785 1.00 0.00 C ATOM 441 C ASP A 32 1.303 1.411 -9.031 1.00 0.00 C ATOM 442 O ASP A 32 0.886 2.143 -8.134 1.00 0.00 O ATOM 443 CB ASP A 32 2.978 -0.348 -8.552 1.00 0.00 C ATOM 444 CG ASP A 32 3.479 -0.021 -7.144 1.00 0.00 C ATOM 445 OD1 ASP A 32 3.078 1.047 -6.632 1.00 0.00 O ATOM 446 OD2 ASP A 32 4.251 -0.847 -6.610 1.00 0.00 O ATOM 0 H ASP A 32 1.592 -1.610 -10.222 1.00 0.00 H new ATOM 0 HA ASP A 32 0.925 -0.416 -7.912 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.185 -1.398 -8.760 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.551 0.239 -9.270 1.00 0.00 H new ATOM 451 N GLN A 33 1.621 1.822 -10.249 1.00 0.00 N ATOM 452 CA GLN A 33 1.495 3.220 -10.624 1.00 0.00 C ATOM 453 C GLN A 33 0.083 3.726 -10.319 1.00 0.00 C ATOM 454 O GLN A 33 -0.086 4.806 -9.756 1.00 0.00 O ATOM 455 CB GLN A 33 1.845 3.427 -12.098 1.00 0.00 C ATOM 456 CG GLN A 33 3.361 3.450 -12.304 1.00 0.00 C ATOM 457 CD GLN A 33 3.909 4.873 -12.183 1.00 0.00 C ATOM 458 OE1 GLN A 33 3.838 5.673 -13.101 1.00 0.00 O ATOM 459 NE2 GLN A 33 4.458 5.142 -11.002 1.00 0.00 N ATOM 0 H GLN A 33 1.966 1.211 -10.990 1.00 0.00 H new ATOM 0 HA GLN A 33 2.204 3.800 -10.032 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.405 2.628 -12.695 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.412 4.363 -12.450 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.842 2.807 -11.566 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.604 3.045 -13.286 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.484 4.425 -10.277 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.853 6.065 -10.821 1.00 0.00 H new ATOM 468 N VAL A 34 -0.896 2.919 -10.704 1.00 0.00 N ATOM 469 CA VAL A 34 -2.287 3.271 -10.480 1.00 0.00 C ATOM 470 C VAL A 34 -2.499 3.574 -8.995 1.00 0.00 C ATOM 471 O VAL A 34 -2.827 4.701 -8.628 1.00 0.00 O ATOM 472 CB VAL A 34 -3.199 2.158 -10.999 1.00 0.00 C ATOM 473 CG1 VAL A 34 -4.653 2.404 -10.590 1.00 0.00 C ATOM 474 CG2 VAL A 34 -3.073 2.009 -12.516 1.00 0.00 C ATOM 0 H VAL A 34 -0.752 2.023 -11.169 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.547 4.172 -11.036 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.878 1.222 -10.543 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.280 1.598 -10.972 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.725 2.436 -9.503 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.992 3.354 -11.004 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.732 1.211 -12.859 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.355 2.945 -12.998 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.042 1.764 -12.773 1.00 0.00 H new ATOM 484 N ILE A 35 -2.303 2.547 -8.181 1.00 0.00 N ATOM 485 CA ILE A 35 -2.469 2.689 -6.744 1.00 0.00 C ATOM 486 C ILE A 35 -1.721 3.937 -6.270 1.00 0.00 C ATOM 487 O ILE A 35 -2.106 4.557 -5.280 1.00 0.00 O ATOM 488 CB ILE A 35 -2.043 1.407 -6.026 1.00 0.00 C ATOM 489 CG1 ILE A 35 -2.909 0.222 -6.460 1.00 0.00 C ATOM 490 CG2 ILE A 35 -2.053 1.599 -4.509 1.00 0.00 C ATOM 491 CD1 ILE A 35 -2.043 -0.935 -6.962 1.00 0.00 C ATOM 0 H ILE A 35 -2.031 1.613 -8.489 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.520 2.832 -6.494 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.017 1.179 -6.314 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.520 -0.113 -5.622 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.594 0.537 -7.247 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.746 0.673 -4.023 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.361 2.397 -4.239 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.059 1.864 -4.182 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.683 -1.764 -7.264 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.452 -0.603 -7.816 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.376 -1.263 -6.165 1.00 0.00 H new ATOM 503 N GLN A 36 -0.664 4.267 -6.998 1.00 0.00 N ATOM 504 CA GLN A 36 0.141 5.429 -6.664 1.00 0.00 C ATOM 505 C GLN A 36 -0.675 6.711 -6.847 1.00 0.00 C ATOM 506 O GLN A 36 -0.721 7.554 -5.953 1.00 0.00 O ATOM 507 CB GLN A 36 1.420 5.469 -7.503 1.00 0.00 C ATOM 508 CG GLN A 36 2.607 5.956 -6.669 1.00 0.00 C ATOM 509 CD GLN A 36 3.901 5.923 -7.486 1.00 0.00 C ATOM 510 OE1 GLN A 36 4.457 4.876 -7.775 1.00 0.00 O ATOM 511 NE2 GLN A 36 4.348 7.125 -7.840 1.00 0.00 N ATOM 0 H GLN A 36 -0.347 3.750 -7.818 1.00 0.00 H new ATOM 0 HA GLN A 36 0.434 5.355 -5.617 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.632 4.475 -7.898 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.277 6.128 -8.359 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.419 6.971 -6.320 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.716 5.330 -5.784 1.00 0.00 H new ATOM 0 HE21 GLN A 36 3.834 7.962 -7.565 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.205 7.210 -8.387 1.00 0.00 H new ATOM 520 N ASN A 37 -1.297 6.817 -8.012 1.00 0.00 N ATOM 521 CA ASN A 37 -2.109 7.981 -8.323 1.00 0.00 C ATOM 522 C ASN A 37 -3.383 7.950 -7.477 1.00 0.00 C ATOM 523 O ASN A 37 -3.977 8.992 -7.205 1.00 0.00 O ATOM 524 CB ASN A 37 -2.520 7.987 -9.797 1.00 0.00 C ATOM 525 CG ASN A 37 -2.065 9.275 -10.488 1.00 0.00 C ATOM 526 OD1 ASN A 37 -1.741 10.267 -9.856 1.00 0.00 O ATOM 527 ND2 ASN A 37 -2.058 9.203 -11.816 1.00 0.00 N ATOM 0 H ASN A 37 -1.255 6.116 -8.752 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.518 8.872 -8.109 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.085 7.125 -10.303 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.603 7.890 -9.877 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.769 10.010 -12.369 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.342 8.341 -12.281 1.00 0.00 H new ATOM 534 N GLU A 38 -3.766 6.744 -7.085 1.00 0.00 N ATOM 535 CA GLU A 38 -4.959 6.564 -6.276 1.00 0.00 C ATOM 536 C GLU A 38 -4.650 6.846 -4.804 1.00 0.00 C ATOM 537 O GLU A 38 -5.490 7.377 -4.080 1.00 0.00 O ATOM 538 CB GLU A 38 -5.536 5.158 -6.455 1.00 0.00 C ATOM 539 CG GLU A 38 -5.938 4.912 -7.910 1.00 0.00 C ATOM 540 CD GLU A 38 -7.186 5.716 -8.279 1.00 0.00 C ATOM 541 OE1 GLU A 38 -8.278 5.305 -7.831 1.00 0.00 O ATOM 542 OE2 GLU A 38 -7.020 6.724 -8.999 1.00 0.00 O ATOM 0 H GLU A 38 -3.271 5.882 -7.313 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.713 7.276 -6.612 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.799 4.417 -6.147 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.404 5.032 -5.808 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.115 5.188 -8.570 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.127 3.850 -8.064 1.00 0.00 H new ATOM 549 N MET A 39 -3.441 6.478 -4.405 1.00 0.00 N ATOM 550 CA MET A 39 -3.010 6.685 -3.033 1.00 0.00 C ATOM 551 C MET A 39 -1.505 6.952 -2.965 1.00 0.00 C ATOM 552 O MET A 39 -0.742 6.110 -2.495 1.00 0.00 O ATOM 553 CB MET A 39 -3.347 5.447 -2.200 1.00 0.00 C ATOM 554 CG MET A 39 -4.792 5.003 -2.437 1.00 0.00 C ATOM 555 SD MET A 39 -5.309 3.889 -1.142 1.00 0.00 S ATOM 556 CE MET A 39 -4.612 2.362 -1.748 1.00 0.00 C ATOM 0 H MET A 39 -2.746 6.038 -5.008 1.00 0.00 H new ATOM 0 HA MET A 39 -3.532 7.555 -2.635 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.667 4.635 -2.457 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.199 5.665 -1.142 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.449 5.873 -2.463 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.876 4.511 -3.406 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.719 1.587 -0.989 1.00 0.00 H new ATOM 0 HE2 MET A 39 -5.136 2.057 -2.654 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.555 2.508 -1.971 1.00 0.00 H new ATOM 566 N PRO A 40 -1.113 8.159 -3.455 1.00 0.00 N ATOM 567 CA PRO A 40 0.287 8.548 -3.454 1.00 0.00 C ATOM 568 C PRO A 40 0.749 8.929 -2.046 1.00 0.00 C ATOM 569 O PRO A 40 1.908 9.292 -1.847 1.00 0.00 O ATOM 570 CB PRO A 40 0.376 9.700 -4.441 1.00 0.00 C ATOM 571 CG PRO A 40 -1.044 10.217 -4.607 1.00 0.00 C ATOM 572 CD PRO A 40 -1.989 9.182 -4.019 1.00 0.00 C ATOM 0 HA PRO A 40 0.950 7.735 -3.751 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.036 10.483 -4.068 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.784 9.366 -5.395 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.163 11.174 -4.100 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.269 10.384 -5.660 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.630 9.620 -3.254 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.645 8.765 -4.783 1.00 0.00 H new ATOM 580 N HIS A 41 -0.180 8.834 -1.107 1.00 0.00 N ATOM 581 CA HIS A 41 0.118 9.165 0.277 1.00 0.00 C ATOM 582 C HIS A 41 0.568 7.905 1.020 1.00 0.00 C ATOM 583 O HIS A 41 1.297 7.990 2.007 1.00 0.00 O ATOM 584 CB HIS A 41 -1.078 9.849 0.941 1.00 0.00 C ATOM 585 CG HIS A 41 -2.265 8.941 1.155 1.00 0.00 C ATOM 586 ND1 HIS A 41 -3.331 8.880 0.275 1.00 0.00 N ATOM 587 CD2 HIS A 41 -2.542 8.058 2.157 1.00 0.00 C ATOM 588 CE1 HIS A 41 -4.205 7.997 0.737 1.00 0.00 C ATOM 589 NE2 HIS A 41 -3.714 7.489 1.904 1.00 0.00 N ATOM 0 H HIS A 41 -1.140 8.533 -1.276 1.00 0.00 H new ATOM 0 HA HIS A 41 0.939 9.881 0.315 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -0.764 10.252 1.904 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -1.387 10.695 0.327 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -1.914 7.856 3.012 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -5.141 7.727 0.271 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -4.172 6.788 2.486 1.00 0.00 H new ATOM 597 N ILE A 42 0.115 6.766 0.517 1.00 0.00 N ATOM 598 CA ILE A 42 0.462 5.491 1.121 1.00 0.00 C ATOM 599 C ILE A 42 1.985 5.341 1.146 1.00 0.00 C ATOM 600 O ILE A 42 2.692 6.033 0.415 1.00 0.00 O ATOM 601 CB ILE A 42 -0.256 4.346 0.404 1.00 0.00 C ATOM 602 CG1 ILE A 42 -1.775 4.518 0.481 1.00 0.00 C ATOM 603 CG2 ILE A 42 0.195 2.989 0.949 1.00 0.00 C ATOM 604 CD1 ILE A 42 -2.338 3.864 1.744 1.00 0.00 C ATOM 0 H ILE A 42 -0.489 6.700 -0.302 1.00 0.00 H new ATOM 0 HA ILE A 42 0.120 5.454 2.155 1.00 0.00 H new ATOM 0 HB ILE A 42 0.019 4.377 -0.650 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.025 5.579 0.474 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.240 4.075 -0.400 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.331 2.192 0.422 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.269 2.876 0.800 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.032 2.931 2.014 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.419 4.001 1.774 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.107 2.799 1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.889 4.326 2.624 1.00 0.00 H new ATOM 616 N GLU A 43 2.444 4.434 1.995 1.00 0.00 N ATOM 617 CA GLU A 43 3.869 4.184 2.125 1.00 0.00 C ATOM 618 C GLU A 43 4.296 3.046 1.196 1.00 0.00 C ATOM 619 O GLU A 43 3.463 2.262 0.746 1.00 0.00 O ATOM 620 CB GLU A 43 4.242 3.876 3.577 1.00 0.00 C ATOM 621 CG GLU A 43 4.412 5.164 4.385 1.00 0.00 C ATOM 622 CD GLU A 43 5.671 5.104 5.253 1.00 0.00 C ATOM 623 OE1 GLU A 43 6.771 5.159 4.661 1.00 0.00 O ATOM 624 OE2 GLU A 43 5.505 5.006 6.488 1.00 0.00 O ATOM 0 H GLU A 43 1.854 3.863 2.600 1.00 0.00 H new ATOM 0 HA GLU A 43 4.404 5.087 1.831 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.468 3.257 4.031 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.167 3.301 3.604 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.472 6.017 3.709 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.537 5.320 5.017 1.00 0.00 H new ATOM 631 N ALA A 44 5.595 2.993 0.936 1.00 0.00 N ATOM 632 CA ALA A 44 6.142 1.963 0.069 1.00 0.00 C ATOM 633 C ALA A 44 5.860 0.588 0.676 1.00 0.00 C ATOM 634 O ALA A 44 5.346 -0.300 -0.002 1.00 0.00 O ATOM 635 CB ALA A 44 7.637 2.213 -0.139 1.00 0.00 C ATOM 0 H ALA A 44 6.283 3.646 1.310 1.00 0.00 H new ATOM 0 HA ALA A 44 5.666 1.994 -0.911 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.048 1.441 -0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.782 3.190 -0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.148 2.186 0.824 1.00 0.00 H new ATOM 641 N GLN A 45 6.209 0.454 1.947 1.00 0.00 N ATOM 642 CA GLN A 45 5.999 -0.798 2.653 1.00 0.00 C ATOM 643 C GLN A 45 4.503 -1.063 2.832 1.00 0.00 C ATOM 644 O GLN A 45 4.046 -2.194 2.670 1.00 0.00 O ATOM 645 CB GLN A 45 6.720 -0.795 4.003 1.00 0.00 C ATOM 646 CG GLN A 45 8.126 -1.384 3.875 1.00 0.00 C ATOM 647 CD GLN A 45 9.041 -0.865 4.986 1.00 0.00 C ATOM 648 OE1 GLN A 45 8.639 -0.688 6.124 1.00 0.00 O ATOM 649 NE2 GLN A 45 10.291 -0.633 4.594 1.00 0.00 N ATOM 0 H GLN A 45 6.636 1.192 2.506 1.00 0.00 H new ATOM 0 HA GLN A 45 6.422 -1.604 2.054 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.782 0.224 4.384 1.00 0.00 H new ATOM 0 HB3 GLN A 45 6.145 -1.371 4.728 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.074 -2.472 3.920 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.546 -1.125 2.903 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.561 -0.803 3.625 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.979 -0.286 5.262 1.00 0.00 H new ATOM 658 N GLN A 46 3.782 -0.002 3.162 1.00 0.00 N ATOM 659 CA GLN A 46 2.347 -0.106 3.364 1.00 0.00 C ATOM 660 C GLN A 46 1.661 -0.569 2.077 1.00 0.00 C ATOM 661 O GLN A 46 0.788 -1.434 2.111 1.00 0.00 O ATOM 662 CB GLN A 46 1.764 1.223 3.848 1.00 0.00 C ATOM 663 CG GLN A 46 2.274 1.568 5.249 1.00 0.00 C ATOM 664 CD GLN A 46 1.597 0.698 6.309 1.00 0.00 C ATOM 665 OE1 GLN A 46 2.071 -0.367 6.671 1.00 0.00 O ATOM 666 NE2 GLN A 46 0.465 1.208 6.786 1.00 0.00 N ATOM 0 H GLN A 46 4.165 0.934 3.295 1.00 0.00 H new ATOM 0 HA GLN A 46 2.162 -0.850 4.139 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.035 2.018 3.153 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.676 1.165 3.857 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.354 1.425 5.292 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.083 2.620 5.461 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.124 2.105 6.440 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.062 0.702 7.498 1.00 0.00 H new ATOM 675 N ARG A 47 2.084 0.027 0.972 1.00 0.00 N ATOM 676 CA ARG A 47 1.522 -0.313 -0.324 1.00 0.00 C ATOM 677 C ARG A 47 1.771 -1.789 -0.639 1.00 0.00 C ATOM 678 O ARG A 47 0.854 -2.506 -1.037 1.00 0.00 O ATOM 679 CB ARG A 47 2.132 0.548 -1.432 1.00 0.00 C ATOM 680 CG ARG A 47 1.122 1.575 -1.947 1.00 0.00 C ATOM 681 CD ARG A 47 1.560 2.145 -3.298 1.00 0.00 C ATOM 682 NE ARG A 47 2.490 3.278 -3.092 1.00 0.00 N ATOM 683 CZ ARG A 47 3.813 3.143 -2.925 1.00 0.00 C ATOM 684 NH1 ARG A 47 4.369 1.924 -2.939 1.00 0.00 N ATOM 685 NH2 ARG A 47 4.579 4.227 -2.744 1.00 0.00 N ATOM 0 H ARG A 47 2.810 0.743 0.947 1.00 0.00 H new ATOM 0 HA ARG A 47 0.450 -0.123 -0.281 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.017 1.061 -1.054 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.460 -0.089 -2.254 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.142 1.109 -2.046 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.019 2.384 -1.223 1.00 0.00 H new ATOM 0 HD2 ARG A 47 2.045 1.369 -3.890 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.688 2.477 -3.862 1.00 0.00 H new ATOM 0 HE ARG A 47 2.100 4.220 -3.076 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.785 1.099 -3.077 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.376 1.821 -2.812 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.155 5.155 -2.733 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.586 4.125 -2.617 1.00 0.00 H new ATOM 699 N ALA A 48 3.016 -2.201 -0.449 1.00 0.00 N ATOM 700 CA ALA A 48 3.397 -3.579 -0.708 1.00 0.00 C ATOM 701 C ALA A 48 2.690 -4.495 0.292 1.00 0.00 C ATOM 702 O ALA A 48 2.000 -5.435 -0.101 1.00 0.00 O ATOM 703 CB ALA A 48 4.920 -3.709 -0.643 1.00 0.00 C ATOM 0 H ALA A 48 3.774 -1.604 -0.119 1.00 0.00 H new ATOM 0 HA ALA A 48 3.087 -3.881 -1.708 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.206 -4.743 -0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.373 -3.060 -1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.268 -3.417 0.348 1.00 0.00 H new ATOM 709 N VAL A 49 2.886 -4.190 1.567 1.00 0.00 N ATOM 710 CA VAL A 49 2.276 -4.975 2.627 1.00 0.00 C ATOM 711 C VAL A 49 0.845 -5.338 2.227 1.00 0.00 C ATOM 712 O VAL A 49 0.541 -6.506 1.987 1.00 0.00 O ATOM 713 CB VAL A 49 2.352 -4.213 3.952 1.00 0.00 C ATOM 714 CG1 VAL A 49 1.205 -4.616 4.882 1.00 0.00 C ATOM 715 CG2 VAL A 49 3.707 -4.425 4.629 1.00 0.00 C ATOM 0 H VAL A 49 3.459 -3.410 1.890 1.00 0.00 H new ATOM 0 HA VAL A 49 2.819 -5.909 2.773 1.00 0.00 H new ATOM 0 HB VAL A 49 2.249 -3.150 3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.282 -4.060 5.817 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.252 -4.391 4.403 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.263 -5.685 5.089 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.735 -3.873 5.568 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.852 -5.487 4.828 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.501 -4.067 3.974 1.00 0.00 H new ATOM 725 N ALA A 50 0.003 -4.316 2.168 1.00 0.00 N ATOM 726 CA ALA A 50 -1.389 -4.514 1.801 1.00 0.00 C ATOM 727 C ALA A 50 -1.465 -5.435 0.582 1.00 0.00 C ATOM 728 O ALA A 50 -2.236 -6.394 0.572 1.00 0.00 O ATOM 729 CB ALA A 50 -2.047 -3.156 1.548 1.00 0.00 C ATOM 0 H ALA A 50 0.258 -3.349 2.368 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.935 -4.996 2.612 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.091 -3.303 1.273 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.992 -2.551 2.453 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.527 -2.645 0.738 1.00 0.00 H new ATOM 735 N ILE A 51 -0.656 -5.112 -0.416 1.00 0.00 N ATOM 736 CA ILE A 51 -0.622 -5.899 -1.637 1.00 0.00 C ATOM 737 C ILE A 51 -0.316 -7.358 -1.290 1.00 0.00 C ATOM 738 O ILE A 51 -1.134 -8.243 -1.536 1.00 0.00 O ATOM 739 CB ILE A 51 0.357 -5.288 -2.641 1.00 0.00 C ATOM 740 CG1 ILE A 51 -0.262 -4.076 -3.342 1.00 0.00 C ATOM 741 CG2 ILE A 51 0.846 -6.339 -3.640 1.00 0.00 C ATOM 742 CD1 ILE A 51 0.801 -3.282 -4.103 1.00 0.00 C ATOM 0 H ILE A 51 -0.019 -4.316 -0.404 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.596 -5.884 -2.127 1.00 0.00 H new ATOM 0 HB ILE A 51 1.230 -4.933 -2.094 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.037 -4.407 -4.033 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.744 -3.433 -2.606 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.541 -5.878 -4.342 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.351 -7.143 -3.104 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.005 -6.746 -4.186 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.335 -2.426 -4.592 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.562 -2.932 -3.406 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.264 -3.921 -4.854 1.00 0.00 H new ATOM 754 N ASN A 52 0.863 -7.563 -0.723 1.00 0.00 N ATOM 755 CA ASN A 52 1.287 -8.899 -0.340 1.00 0.00 C ATOM 756 C ASN A 52 0.167 -9.578 0.451 1.00 0.00 C ATOM 757 O ASN A 52 -0.174 -10.730 0.188 1.00 0.00 O ATOM 758 CB ASN A 52 2.531 -8.849 0.550 1.00 0.00 C ATOM 759 CG ASN A 52 3.533 -9.934 0.154 1.00 0.00 C ATOM 760 OD1 ASN A 52 3.182 -11.071 -0.117 1.00 0.00 O ATOM 761 ND2 ASN A 52 4.797 -9.522 0.134 1.00 0.00 N ATOM 0 H ASN A 52 1.538 -6.826 -0.519 1.00 0.00 H new ATOM 0 HA ASN A 52 1.517 -9.453 -1.250 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.001 -7.869 0.470 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.242 -8.979 1.593 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.541 -10.172 -0.119 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.022 -8.556 0.372 1.00 0.00 H new ATOM 768 N ARG A 53 -0.375 -8.834 1.404 1.00 0.00 N ATOM 769 CA ARG A 53 -1.450 -9.349 2.235 1.00 0.00 C ATOM 770 C ARG A 53 -2.594 -9.868 1.362 1.00 0.00 C ATOM 771 O ARG A 53 -2.965 -11.037 1.450 1.00 0.00 O ATOM 772 CB ARG A 53 -1.985 -8.268 3.176 1.00 0.00 C ATOM 773 CG ARG A 53 -1.816 -8.682 4.640 1.00 0.00 C ATOM 774 CD ARG A 53 -0.607 -7.988 5.269 1.00 0.00 C ATOM 775 NE ARG A 53 0.312 -8.995 5.845 1.00 0.00 N ATOM 776 CZ ARG A 53 1.223 -9.674 5.134 1.00 0.00 C ATOM 777 NH1 ARG A 53 1.343 -9.457 3.817 1.00 0.00 N ATOM 778 NH2 ARG A 53 2.015 -10.569 5.740 1.00 0.00 N ATOM 0 H ARG A 53 -0.090 -7.879 1.619 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.045 -10.166 2.832 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.458 -7.331 2.996 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.039 -8.086 2.965 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.717 -8.429 5.199 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.693 -9.763 4.704 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.085 -7.396 4.517 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.937 -7.298 6.046 1.00 0.00 H new ATOM 0 HE ARG A 53 0.248 -9.184 6.845 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.741 -8.775 3.356 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.036 -9.974 3.276 1.00 0.00 H new ATOM 0 HH21 ARG A 53 1.925 -10.734 6.743 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.708 -11.086 5.199 1.00 0.00 H new ATOM 792 N LEU A 54 -3.121 -8.973 0.540 1.00 0.00 N ATOM 793 CA LEU A 54 -4.215 -9.326 -0.349 1.00 0.00 C ATOM 794 C LEU A 54 -3.806 -10.527 -1.203 1.00 0.00 C ATOM 795 O LEU A 54 -4.602 -11.439 -1.421 1.00 0.00 O ATOM 796 CB LEU A 54 -4.654 -8.110 -1.168 1.00 0.00 C ATOM 797 CG LEU A 54 -5.286 -6.962 -0.378 1.00 0.00 C ATOM 798 CD1 LEU A 54 -5.670 -5.806 -1.303 1.00 0.00 C ATOM 799 CD2 LEU A 54 -6.476 -7.455 0.448 1.00 0.00 C ATOM 0 H LEU A 54 -2.811 -8.004 0.471 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.091 -9.627 0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.786 -7.723 -1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.368 -8.443 -1.921 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.544 -6.580 0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.117 -5.003 -0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.779 -5.433 -1.808 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.388 -6.156 -2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.907 -6.620 1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.229 -7.878 -0.216 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.140 -8.219 1.150 1.00 0.00 H new ATOM 811 N LEU A 55 -2.564 -10.489 -1.665 1.00 0.00 N ATOM 812 CA LEU A 55 -2.039 -11.563 -2.490 1.00 0.00 C ATOM 813 C LEU A 55 -2.172 -12.889 -1.739 1.00 0.00 C ATOM 814 O LEU A 55 -2.700 -13.862 -2.277 1.00 0.00 O ATOM 815 CB LEU A 55 -0.610 -11.248 -2.934 1.00 0.00 C ATOM 816 CG LEU A 55 -0.457 -10.113 -3.948 1.00 0.00 C ATOM 817 CD1 LEU A 55 1.018 -9.777 -4.178 1.00 0.00 C ATOM 818 CD2 LEU A 55 -1.179 -10.444 -5.256 1.00 0.00 C ATOM 0 H LEU A 55 -1.906 -9.731 -1.483 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.619 -11.657 -3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.022 -11.000 -2.050 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.176 -12.152 -3.362 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.930 -9.222 -3.535 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.098 -8.967 -4.903 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.472 -9.467 -3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.537 -10.657 -4.558 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.054 -9.620 -5.959 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.758 -11.354 -5.684 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.240 -10.594 -5.058 1.00 0.00 H new ATOM 830 N SER A 56 -1.684 -12.886 -0.507 1.00 0.00 N ATOM 831 CA SER A 56 -1.741 -14.077 0.323 1.00 0.00 C ATOM 832 C SER A 56 -3.191 -14.378 0.708 1.00 0.00 C ATOM 833 O SER A 56 -3.703 -15.458 0.418 1.00 0.00 O ATOM 834 CB SER A 56 -0.882 -13.915 1.578 1.00 0.00 C ATOM 835 OG SER A 56 -0.845 -15.107 2.358 1.00 0.00 O ATOM 0 H SER A 56 -1.247 -12.078 -0.064 1.00 0.00 H new ATOM 0 HA SER A 56 -1.343 -14.913 -0.252 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.132 -13.639 1.290 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.275 -13.098 2.183 1.00 0.00 H new ATOM 0 HG SER A 56 -0.285 -14.963 3.149 1.00 0.00 H new ATOM 841 N MET A 57 -3.813 -13.403 1.355 1.00 0.00 N ATOM 842 CA MET A 57 -5.194 -13.549 1.782 1.00 0.00 C ATOM 843 C MET A 57 -6.012 -14.313 0.739 1.00 0.00 C ATOM 844 O MET A 57 -6.829 -15.164 1.087 1.00 0.00 O ATOM 845 CB MET A 57 -5.809 -12.166 2.002 1.00 0.00 C ATOM 846 CG MET A 57 -5.156 -11.458 3.191 1.00 0.00 C ATOM 847 SD MET A 57 -6.404 -10.963 4.367 1.00 0.00 S ATOM 848 CE MET A 57 -5.796 -9.341 4.800 1.00 0.00 C ATOM 0 H MET A 57 -3.385 -12.508 1.594 1.00 0.00 H new ATOM 0 HA MET A 57 -5.209 -14.115 2.713 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.686 -11.562 1.103 1.00 0.00 H new ATOM 0 HB3 MET A 57 -6.880 -12.264 2.176 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.436 -12.122 3.670 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.603 -10.584 2.846 1.00 0.00 H new ATOM 0 HE1 MET A 57 -5.672 -9.276 5.881 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.836 -9.171 4.313 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.509 -8.585 4.470 1.00 0.00 H new ATOM 858 N GLY A 58 -5.765 -13.980 -0.520 1.00 0.00 N ATOM 859 CA GLY A 58 -6.469 -14.623 -1.616 1.00 0.00 C ATOM 860 C GLY A 58 -7.551 -13.704 -2.187 1.00 0.00 C ATOM 861 O GLY A 58 -8.459 -14.164 -2.878 1.00 0.00 O ATOM 0 H GLY A 58 -5.087 -13.273 -0.805 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.761 -14.889 -2.401 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.922 -15.551 -1.267 1.00 0.00 H new ATOM 865 N GLN A 59 -7.417 -12.423 -1.878 1.00 0.00 N ATOM 866 CA GLN A 59 -8.372 -11.435 -2.353 1.00 0.00 C ATOM 867 C GLN A 59 -7.850 -10.760 -3.623 1.00 0.00 C ATOM 868 O GLN A 59 -8.626 -10.437 -4.521 1.00 0.00 O ATOM 869 CB GLN A 59 -8.676 -10.401 -1.267 1.00 0.00 C ATOM 870 CG GLN A 59 -9.253 -11.070 -0.018 1.00 0.00 C ATOM 871 CD GLN A 59 -10.552 -10.390 0.418 1.00 0.00 C ATOM 872 OE1 GLN A 59 -11.602 -10.558 -0.180 1.00 0.00 O ATOM 873 NE2 GLN A 59 -10.423 -9.614 1.490 1.00 0.00 N ATOM 0 H GLN A 59 -6.662 -12.046 -1.305 1.00 0.00 H new ATOM 0 HA GLN A 59 -9.305 -11.945 -2.594 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.764 -9.863 -1.007 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -9.383 -9.665 -1.649 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -9.440 -12.125 -0.220 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.525 -11.025 0.792 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.514 -9.517 1.943 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.233 -9.115 1.859 1.00 0.00 H new ATOM 882 N LEU A 60 -6.540 -10.568 -3.657 1.00 0.00 N ATOM 883 CA LEU A 60 -5.906 -9.937 -4.802 1.00 0.00 C ATOM 884 C LEU A 60 -5.154 -10.996 -5.610 1.00 0.00 C ATOM 885 O LEU A 60 -4.623 -11.952 -5.046 1.00 0.00 O ATOM 886 CB LEU A 60 -5.027 -8.769 -4.351 1.00 0.00 C ATOM 887 CG LEU A 60 -4.182 -8.105 -5.441 1.00 0.00 C ATOM 888 CD1 LEU A 60 -5.057 -7.648 -6.610 1.00 0.00 C ATOM 889 CD2 LEU A 60 -3.348 -6.958 -4.867 1.00 0.00 C ATOM 0 H LEU A 60 -5.900 -10.838 -2.910 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.657 -9.504 -5.463 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.668 -8.010 -3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.358 -9.125 -3.567 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.484 -8.846 -5.831 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.432 -7.180 -7.371 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.568 -8.509 -7.040 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.795 -6.929 -6.253 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.757 -6.504 -5.663 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.010 -6.208 -4.433 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.682 -7.343 -4.095 1.00 0.00 H new ATOM 901 N ASP A 61 -5.132 -10.790 -6.919 1.00 0.00 N ATOM 902 CA ASP A 61 -4.454 -11.716 -7.811 1.00 0.00 C ATOM 903 C ASP A 61 -3.341 -10.976 -8.556 1.00 0.00 C ATOM 904 O ASP A 61 -3.588 -9.949 -9.188 1.00 0.00 O ATOM 905 CB ASP A 61 -5.420 -12.287 -8.850 1.00 0.00 C ATOM 906 CG ASP A 61 -5.501 -13.815 -8.886 1.00 0.00 C ATOM 907 OD1 ASP A 61 -4.475 -14.446 -8.552 1.00 0.00 O ATOM 908 OD2 ASP A 61 -6.588 -14.317 -9.246 1.00 0.00 O ATOM 0 H ASP A 61 -5.573 -9.996 -7.383 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.050 -12.530 -7.209 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.416 -11.890 -8.655 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.122 -11.930 -9.836 1.00 0.00 H new ATOM 913 N LEU A 62 -2.140 -11.526 -8.459 1.00 0.00 N ATOM 914 CA LEU A 62 -0.988 -10.931 -9.116 1.00 0.00 C ATOM 915 C LEU A 62 -0.899 -11.454 -10.551 1.00 0.00 C ATOM 916 O LEU A 62 -1.191 -12.620 -10.809 1.00 0.00 O ATOM 917 CB LEU A 62 0.280 -11.169 -8.294 1.00 0.00 C ATOM 918 CG LEU A 62 1.333 -10.061 -8.350 1.00 0.00 C ATOM 919 CD1 LEU A 62 2.438 -10.302 -7.320 1.00 0.00 C ATOM 920 CD2 LEU A 62 1.893 -9.906 -9.765 1.00 0.00 C ATOM 0 H LEU A 62 -1.939 -12.378 -7.935 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.101 -9.849 -9.177 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.008 -11.317 -7.253 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.740 -12.097 -8.633 1.00 0.00 H new ATOM 0 HG LEU A 62 0.850 -9.119 -8.090 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.174 -9.500 -7.381 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.005 -10.322 -6.320 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.924 -11.256 -7.524 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.639 -9.112 -9.776 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.355 -10.842 -10.078 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.084 -9.653 -10.451 1.00 0.00 H new ATOM 932 N LEU A 63 -0.495 -10.565 -11.447 1.00 0.00 N ATOM 933 CA LEU A 63 -0.363 -10.923 -12.849 1.00 0.00 C ATOM 934 C LEU A 63 0.876 -10.240 -13.431 1.00 0.00 C ATOM 935 O LEU A 63 0.868 -9.034 -13.673 1.00 0.00 O ATOM 936 CB LEU A 63 -1.654 -10.604 -13.606 1.00 0.00 C ATOM 937 CG LEU A 63 -2.468 -11.810 -14.080 1.00 0.00 C ATOM 938 CD1 LEU A 63 -3.941 -11.437 -14.266 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.865 -12.414 -15.349 1.00 0.00 C ATOM 0 H LEU A 63 -0.255 -9.598 -11.229 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.214 -11.998 -12.956 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.287 -9.993 -12.963 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.402 -9.996 -14.475 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.425 -12.577 -13.307 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.498 -12.311 -14.603 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.351 -11.089 -13.318 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.025 -10.645 -15.010 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.463 -13.269 -15.664 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.858 -11.665 -16.141 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.844 -12.739 -15.148 1.00 0.00 H new ATOM 951 N ARG A 64 1.911 -11.040 -13.639 1.00 0.00 N ATOM 952 CA ARG A 64 3.155 -10.528 -14.188 1.00 0.00 C ATOM 953 C ARG A 64 3.034 -10.354 -15.703 1.00 0.00 C ATOM 954 O ARG A 64 3.029 -11.334 -16.446 1.00 0.00 O ATOM 955 CB ARG A 64 4.321 -11.469 -13.881 1.00 0.00 C ATOM 956 CG ARG A 64 5.527 -10.692 -13.348 1.00 0.00 C ATOM 957 CD ARG A 64 6.758 -11.595 -13.243 1.00 0.00 C ATOM 958 NE ARG A 64 7.289 -11.887 -14.593 1.00 0.00 N ATOM 959 CZ ARG A 64 8.345 -12.677 -14.830 1.00 0.00 C ATOM 960 NH1 ARG A 64 8.990 -13.258 -13.810 1.00 0.00 N ATOM 961 NH2 ARG A 64 8.756 -12.885 -16.089 1.00 0.00 N ATOM 0 H ARG A 64 1.914 -12.040 -13.437 1.00 0.00 H new ATOM 0 HA ARG A 64 3.351 -9.562 -13.722 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.010 -12.212 -13.147 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.603 -12.011 -14.784 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.743 -9.852 -14.008 1.00 0.00 H new ATOM 0 HG3 ARG A 64 5.292 -10.276 -12.368 1.00 0.00 H new ATOM 0 HD2 ARG A 64 7.525 -11.110 -12.639 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.495 -12.524 -12.738 1.00 0.00 H new ATOM 0 HE ARG A 64 6.822 -11.460 -15.393 1.00 0.00 H new ATOM 0 HH11 ARG A 64 8.677 -13.099 -12.852 1.00 0.00 H new ATOM 0 HH12 ARG A 64 9.794 -13.859 -13.991 1.00 0.00 H new ATOM 0 HH21 ARG A 64 8.265 -12.442 -16.866 1.00 0.00 H new ATOM 0 HH22 ARG A 64 9.560 -13.486 -16.270 1.00 0.00 H new ATOM 975 N SER A 65 2.941 -9.099 -16.117 1.00 0.00 N ATOM 976 CA SER A 65 2.821 -8.783 -17.530 1.00 0.00 C ATOM 977 C SER A 65 3.560 -7.481 -17.841 1.00 0.00 C ATOM 978 O SER A 65 3.322 -6.459 -17.199 1.00 0.00 O ATOM 979 CB SER A 65 1.353 -8.672 -17.947 1.00 0.00 C ATOM 980 OG SER A 65 0.959 -9.740 -18.804 1.00 0.00 O ATOM 0 H SER A 65 2.946 -8.288 -15.498 1.00 0.00 H new ATOM 0 HA SER A 65 3.273 -9.594 -18.100 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.723 -8.670 -17.058 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.191 -7.721 -18.455 1.00 0.00 H new ATOM 0 HG SER A 65 0.015 -9.634 -19.046 1.00 0.00 H new ATOM 1021 N LEU A 69 4.327 -5.545 -12.276 1.00 0.00 N ATOM 1022 CA LEU A 69 3.331 -6.587 -12.096 1.00 0.00 C ATOM 1023 C LEU A 69 1.936 -5.960 -12.110 1.00 0.00 C ATOM 1024 O LEU A 69 1.796 -4.745 -11.982 1.00 0.00 O ATOM 1025 CB LEU A 69 3.628 -7.400 -10.834 1.00 0.00 C ATOM 1026 CG LEU A 69 5.082 -7.392 -10.358 1.00 0.00 C ATOM 1027 CD1 LEU A 69 5.323 -8.485 -9.315 1.00 0.00 C ATOM 1028 CD2 LEU A 69 6.047 -7.505 -11.540 1.00 0.00 C ATOM 0 HA LEU A 69 3.370 -7.298 -12.921 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.000 -7.023 -10.027 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.331 -8.433 -11.013 1.00 0.00 H new ATOM 0 HG LEU A 69 5.277 -6.435 -9.873 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.364 -8.458 -8.993 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.673 -8.318 -8.456 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.104 -9.459 -9.752 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.074 -7.497 -11.174 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.860 -8.436 -12.075 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.896 -6.662 -12.215 1.00 0.00 H new ATOM 1040 N LEU A 70 0.938 -6.818 -12.265 1.00 0.00 N ATOM 1041 CA LEU A 70 -0.442 -6.364 -12.297 1.00 0.00 C ATOM 1042 C LEU A 70 -1.220 -7.030 -11.161 1.00 0.00 C ATOM 1043 O LEU A 70 -0.872 -8.126 -10.725 1.00 0.00 O ATOM 1044 CB LEU A 70 -1.051 -6.599 -13.681 1.00 0.00 C ATOM 1045 CG LEU A 70 -2.575 -6.495 -13.769 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -3.004 -5.823 -15.075 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -3.231 -7.865 -13.586 1.00 0.00 C ATOM 0 H LEU A 70 1.058 -7.825 -12.370 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.493 -5.288 -12.130 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.617 -5.879 -14.374 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.754 -7.590 -14.023 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.921 -5.862 -12.952 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.092 -5.762 -15.112 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.582 -4.819 -15.123 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.644 -6.409 -15.921 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.314 -7.762 -13.653 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.882 -8.542 -14.365 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.965 -8.268 -12.609 1.00 0.00 H new ATOM 1059 N TYR A 71 -2.259 -6.340 -10.714 1.00 0.00 N ATOM 1060 CA TYR A 71 -3.089 -6.851 -9.636 1.00 0.00 C ATOM 1061 C TYR A 71 -4.574 -6.722 -9.980 1.00 0.00 C ATOM 1062 O TYR A 71 -5.065 -5.621 -10.226 1.00 0.00 O ATOM 1063 CB TYR A 71 -2.782 -5.979 -8.418 1.00 0.00 C ATOM 1064 CG TYR A 71 -1.308 -5.594 -8.283 1.00 0.00 C ATOM 1065 CD1 TYR A 71 -0.336 -6.573 -8.289 1.00 0.00 C ATOM 1066 CD2 TYR A 71 -0.950 -4.267 -8.155 1.00 0.00 C ATOM 1067 CE1 TYR A 71 1.052 -6.211 -8.162 1.00 0.00 C ATOM 1068 CE2 TYR A 71 0.438 -3.905 -8.029 1.00 0.00 C ATOM 1069 CZ TYR A 71 1.371 -4.895 -8.039 1.00 0.00 C ATOM 1070 OH TYR A 71 2.682 -4.553 -7.919 1.00 0.00 O ATOM 0 H TYR A 71 -2.545 -5.431 -11.079 1.00 0.00 H new ATOM 0 HA TYR A 71 -2.881 -7.906 -9.458 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -3.380 -5.070 -8.475 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -3.092 -6.509 -7.517 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.616 -7.611 -8.389 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -1.711 -3.500 -8.149 1.00 0.00 H new ATOM 0 HE1 TYR A 71 1.822 -6.968 -8.164 1.00 0.00 H new ATOM 0 HE2 TYR A 71 0.732 -2.871 -7.929 1.00 0.00 H new ATOM 0 HH TYR A 71 2.760 -3.579 -7.840 1.00 0.00 H new ATOM 1080 N ARG A 72 -5.249 -7.862 -9.986 1.00 0.00 N ATOM 1081 CA ARG A 72 -6.668 -7.890 -10.296 1.00 0.00 C ATOM 1082 C ARG A 72 -7.434 -8.648 -9.209 1.00 0.00 C ATOM 1083 O ARG A 72 -6.830 -9.205 -8.294 1.00 0.00 O ATOM 1084 CB ARG A 72 -6.924 -8.558 -11.649 1.00 0.00 C ATOM 1085 CG ARG A 72 -6.537 -10.037 -11.612 1.00 0.00 C ATOM 1086 CD ARG A 72 -7.182 -10.802 -12.770 1.00 0.00 C ATOM 1087 NE ARG A 72 -7.707 -12.099 -12.289 1.00 0.00 N ATOM 1088 CZ ARG A 72 -6.940 -13.157 -11.993 1.00 0.00 C ATOM 1089 NH1 ARG A 72 -5.609 -13.078 -12.127 1.00 0.00 N ATOM 1090 NH2 ARG A 72 -7.504 -14.294 -11.564 1.00 0.00 N ATOM 0 H ARG A 72 -4.839 -8.773 -9.781 1.00 0.00 H new ATOM 0 HA ARG A 72 -7.017 -6.858 -10.341 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.977 -8.460 -11.913 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.352 -8.048 -12.424 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.453 -10.134 -11.666 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.849 -10.475 -10.664 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.990 -10.211 -13.202 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.450 -10.967 -13.560 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.716 -12.194 -12.176 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.180 -12.212 -12.454 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.025 -13.883 -11.902 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.517 -14.354 -11.463 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -6.920 -15.099 -11.339 1.00 0.00 H new ATOM 1104 N ILE A 73 -8.751 -8.643 -9.346 1.00 0.00 N ATOM 1105 CA ILE A 73 -9.606 -9.323 -8.387 1.00 0.00 C ATOM 1106 C ILE A 73 -9.446 -10.835 -8.550 1.00 0.00 C ATOM 1107 O ILE A 73 -9.566 -11.360 -9.657 1.00 0.00 O ATOM 1108 CB ILE A 73 -11.051 -8.839 -8.520 1.00 0.00 C ATOM 1109 CG1 ILE A 73 -11.441 -7.945 -7.341 1.00 0.00 C ATOM 1110 CG2 ILE A 73 -12.011 -10.019 -8.686 1.00 0.00 C ATOM 1111 CD1 ILE A 73 -11.160 -8.642 -6.008 1.00 0.00 C ATOM 0 H ILE A 73 -9.248 -8.179 -10.106 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.305 -9.079 -7.368 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.126 -8.233 -9.423 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.885 -7.009 -7.390 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -12.499 -7.691 -7.407 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -13.032 -9.648 -8.778 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.746 -10.580 -9.582 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.940 -10.671 -7.816 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -11.446 -7.985 -5.187 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.736 -9.566 -5.952 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -10.097 -8.873 -5.935 1.00 0.00 H new ATOM 1123 N LYS A 74 -9.178 -11.494 -7.433 1.00 0.00 N ATOM 1124 CA LYS A 74 -9.000 -12.936 -7.438 1.00 0.00 C ATOM 1125 C LYS A 74 -10.312 -13.606 -7.852 1.00 0.00 C ATOM 1126 O LYS A 74 -11.391 -13.150 -7.476 1.00 0.00 O ATOM 1127 CB LYS A 74 -8.465 -13.416 -6.087 1.00 0.00 C ATOM 1128 CG LYS A 74 -7.715 -14.741 -6.234 1.00 0.00 C ATOM 1129 CD LYS A 74 -6.541 -14.818 -5.255 1.00 0.00 C ATOM 1130 CE LYS A 74 -6.305 -16.258 -4.795 1.00 0.00 C ATOM 1131 NZ LYS A 74 -4.877 -16.472 -4.473 1.00 0.00 N ATOM 0 H LYS A 74 -9.080 -11.056 -6.517 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.248 -13.224 -8.173 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.799 -12.662 -5.667 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.292 -13.538 -5.387 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.398 -15.571 -6.055 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.349 -14.844 -7.255 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.640 -14.432 -5.731 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.741 -14.184 -4.391 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.917 -16.471 -3.919 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.615 -16.951 -5.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.784 -17.286 -3.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.348 -16.658 -5.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.494 -15.622 -4.011 1.00 0.00 H new