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 : amide:sc= -0.306 K(o=-0.31,f=-2.8!) USER MOD Single : A 23 CYS SG : rot 59:sc= -5.69! USER MOD Single : A 24 HIS : no HD1:sc= -2.06 K(o=-2.1,f=-2.8!) USER MOD Single : A 25 GLN :FLIP amide:sc= -1.44! F(o=-2.5,f=-1.4!) 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= -0.236 USER MOD Single : A 33 GLN : amide:sc= -1.45 K(o=-1.5,f=-6.3!) USER MOD Single : A 36 GLN : amide:sc= -0.0202 X(o=-0.02,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.0776 X(o=-0.078,f=-0.56) USER MOD Single : A 39 MET CE :methyl 174:sc= -0.125 (180deg=-0.19) USER MOD Single : A 41 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.16) USER MOD Single : A 45 GLN : amide:sc= -0.0692 K(o=-0.069,f=-2!) USER MOD Single : A 46 GLN : amide:sc= -0.248 K(o=-0.25,f=-2.3!) 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 -158:sc= -0.953 (180deg=-1.96!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 62:sc= 1.16 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -120:sc= 0.0626 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 12 -3.867 -1.565 7.912 1.00 0.00 N ATOM 115 CA PRO A 12 -3.741 -2.481 6.791 1.00 0.00 C ATOM 116 C PRO A 12 -5.078 -2.648 6.066 1.00 0.00 C ATOM 117 O PRO A 12 -5.190 -2.332 4.882 1.00 0.00 O ATOM 118 CB PRO A 12 -3.228 -3.777 7.397 1.00 0.00 C ATOM 119 CG PRO A 12 -3.527 -3.688 8.885 1.00 0.00 C ATOM 120 CD PRO A 12 -3.877 -2.244 9.204 1.00 0.00 C ATOM 0 HA PRO A 12 -3.056 -2.117 6.025 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.722 -4.640 6.950 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.159 -3.895 7.220 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.353 -4.348 9.149 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.664 -4.009 9.468 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.854 -2.170 9.682 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.152 -1.803 9.888 1.00 0.00 H new ATOM 128 N VAL A 13 -6.058 -3.144 6.807 1.00 0.00 N ATOM 129 CA VAL A 13 -7.383 -3.356 6.249 1.00 0.00 C ATOM 130 C VAL A 13 -7.745 -2.179 5.342 1.00 0.00 C ATOM 131 O VAL A 13 -8.096 -2.371 4.179 1.00 0.00 O ATOM 132 CB VAL A 13 -8.395 -3.577 7.375 1.00 0.00 C ATOM 133 CG1 VAL A 13 -8.277 -2.485 8.440 1.00 0.00 C ATOM 134 CG2 VAL A 13 -9.820 -3.653 6.824 1.00 0.00 C ATOM 0 H VAL A 13 -5.961 -3.405 7.788 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.399 -4.256 5.634 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.167 -4.532 7.848 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -9.007 -2.666 9.229 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.273 -2.498 8.865 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.466 -1.512 7.986 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.520 -3.810 7.645 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -10.063 -2.721 6.314 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.894 -4.482 6.120 1.00 0.00 H new ATOM 144 N GLU A 14 -7.647 -0.985 5.909 1.00 0.00 N ATOM 145 CA GLU A 14 -7.960 0.224 5.166 1.00 0.00 C ATOM 146 C GLU A 14 -7.233 0.223 3.819 1.00 0.00 C ATOM 147 O GLU A 14 -7.855 0.407 2.774 1.00 0.00 O ATOM 148 CB GLU A 14 -7.609 1.473 5.977 1.00 0.00 C ATOM 149 CG GLU A 14 -8.742 1.839 6.937 1.00 0.00 C ATOM 150 CD GLU A 14 -8.627 3.296 7.390 1.00 0.00 C ATOM 151 OE1 GLU A 14 -7.696 3.575 8.176 1.00 0.00 O ATOM 152 OE2 GLU A 14 -9.473 4.099 6.940 1.00 0.00 O ATOM 0 H GLU A 14 -7.355 -0.829 6.874 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.033 0.243 4.978 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.692 1.300 6.540 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.416 2.307 5.302 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.703 1.681 6.448 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.714 1.181 7.806 1.00 0.00 H new ATOM 159 N ILE A 15 -5.926 0.013 3.888 1.00 0.00 N ATOM 160 CA ILE A 15 -5.108 -0.015 2.688 1.00 0.00 C ATOM 161 C ILE A 15 -5.618 -1.115 1.754 1.00 0.00 C ATOM 162 O ILE A 15 -5.986 -0.843 0.612 1.00 0.00 O ATOM 163 CB ILE A 15 -3.629 -0.154 3.051 1.00 0.00 C ATOM 164 CG1 ILE A 15 -3.177 0.994 3.957 1.00 0.00 C ATOM 165 CG2 ILE A 15 -2.764 -0.266 1.794 1.00 0.00 C ATOM 166 CD1 ILE A 15 -2.022 0.556 4.861 1.00 0.00 C ATOM 0 H ILE A 15 -5.414 -0.139 4.757 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.192 0.928 2.147 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.501 -1.079 3.614 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.865 1.842 3.347 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.014 1.331 4.568 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.717 -0.364 2.080 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.067 -1.142 1.221 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.891 0.628 1.184 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.720 1.390 5.495 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.345 -0.276 5.486 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.178 0.242 4.247 1.00 0.00 H new ATOM 178 N GLU A 16 -5.623 -2.333 2.275 1.00 0.00 N ATOM 179 CA GLU A 16 -6.081 -3.475 1.502 1.00 0.00 C ATOM 180 C GLU A 16 -7.454 -3.186 0.891 1.00 0.00 C ATOM 181 O GLU A 16 -7.603 -3.171 -0.330 1.00 0.00 O ATOM 182 CB GLU A 16 -6.119 -4.740 2.362 1.00 0.00 C ATOM 183 CG GLU A 16 -4.761 -4.998 3.018 1.00 0.00 C ATOM 184 CD GLU A 16 -4.693 -6.412 3.598 1.00 0.00 C ATOM 185 OE1 GLU A 16 -4.876 -7.361 2.804 1.00 0.00 O ATOM 186 OE2 GLU A 16 -4.458 -6.513 4.821 1.00 0.00 O ATOM 0 H GLU A 16 -5.317 -2.554 3.223 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.373 -3.648 0.691 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -6.885 -4.638 3.131 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.397 -5.595 1.746 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.967 -4.864 2.284 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.591 -4.268 3.809 1.00 0.00 H new ATOM 193 N ASN A 17 -8.422 -2.964 1.768 1.00 0.00 N ATOM 194 CA ASN A 17 -9.777 -2.676 1.330 1.00 0.00 C ATOM 195 C ASN A 17 -9.729 -1.748 0.114 1.00 0.00 C ATOM 196 O ASN A 17 -10.275 -2.072 -0.940 1.00 0.00 O ATOM 197 CB ASN A 17 -10.574 -1.972 2.430 1.00 0.00 C ATOM 198 CG ASN A 17 -11.470 -2.962 3.177 1.00 0.00 C ATOM 199 OD1 ASN A 17 -11.708 -4.076 2.739 1.00 0.00 O ATOM 200 ND2 ASN A 17 -11.954 -2.495 4.324 1.00 0.00 N ATOM 0 H ASN A 17 -8.295 -2.978 2.780 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.260 -3.622 1.084 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.889 -1.495 3.131 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.184 -1.182 1.993 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.564 -3.079 4.896 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -11.715 -1.553 4.632 1.00 0.00 H new ATOM 207 N ARG A 18 -9.072 -0.613 0.301 1.00 0.00 N ATOM 208 CA ARG A 18 -8.946 0.363 -0.768 1.00 0.00 C ATOM 209 C ARG A 18 -8.564 -0.329 -2.077 1.00 0.00 C ATOM 210 O ARG A 18 -9.103 -0.007 -3.135 1.00 0.00 O ATOM 211 CB ARG A 18 -7.890 1.417 -0.429 1.00 0.00 C ATOM 212 CG ARG A 18 -8.505 2.818 -0.392 1.00 0.00 C ATOM 213 CD ARG A 18 -9.239 3.129 -1.698 1.00 0.00 C ATOM 214 NE ARG A 18 -8.528 4.196 -2.436 1.00 0.00 N ATOM 215 CZ ARG A 18 -8.636 5.502 -2.158 1.00 0.00 C ATOM 216 NH1 ARG A 18 -9.426 5.911 -1.155 1.00 0.00 N ATOM 217 NH2 ARG A 18 -7.953 6.401 -2.881 1.00 0.00 N ATOM 0 H ARG A 18 -8.621 -0.347 1.177 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.912 0.856 -0.883 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.440 1.188 0.537 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.090 1.387 -1.169 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.198 2.893 0.446 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.723 3.558 -0.225 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.302 2.231 -2.312 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.261 3.442 -1.485 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.917 3.920 -3.205 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.945 5.228 -0.603 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.508 6.905 -0.943 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.351 6.091 -3.643 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.036 7.395 -2.669 1.00 0.00 H new ATOM 231 N ILE A 19 -7.636 -1.268 -1.964 1.00 0.00 N ATOM 232 CA ILE A 19 -7.175 -2.009 -3.126 1.00 0.00 C ATOM 233 C ILE A 19 -8.314 -2.886 -3.651 1.00 0.00 C ATOM 234 O ILE A 19 -8.529 -2.973 -4.859 1.00 0.00 O ATOM 235 CB ILE A 19 -5.901 -2.789 -2.794 1.00 0.00 C ATOM 236 CG1 ILE A 19 -4.754 -1.840 -2.440 1.00 0.00 C ATOM 237 CG2 ILE A 19 -5.528 -3.739 -3.933 1.00 0.00 C ATOM 238 CD1 ILE A 19 -3.660 -2.570 -1.660 1.00 0.00 C ATOM 0 H ILE A 19 -7.191 -1.533 -1.085 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.902 -1.325 -3.930 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.095 -3.402 -1.914 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.334 -1.415 -3.352 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.135 -1.008 -1.847 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.619 -4.281 -3.672 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.340 -4.448 -4.096 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.359 -3.166 -4.844 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.857 -1.873 -1.421 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.078 -2.972 -0.737 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.264 -3.386 -2.265 1.00 0.00 H new ATOM 250 N ILE A 20 -9.013 -3.514 -2.717 1.00 0.00 N ATOM 251 CA ILE A 20 -10.124 -4.381 -3.070 1.00 0.00 C ATOM 252 C ILE A 20 -11.107 -3.610 -3.953 1.00 0.00 C ATOM 253 O ILE A 20 -11.569 -4.126 -4.970 1.00 0.00 O ATOM 254 CB ILE A 20 -10.762 -4.973 -1.811 1.00 0.00 C ATOM 255 CG1 ILE A 20 -9.727 -5.724 -0.972 1.00 0.00 C ATOM 256 CG2 ILE A 20 -11.960 -5.856 -2.167 1.00 0.00 C ATOM 257 CD1 ILE A 20 -8.809 -6.567 -1.859 1.00 0.00 C ATOM 0 H ILE A 20 -8.831 -3.440 -1.716 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.773 -5.233 -3.653 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.137 -4.152 -1.200 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.132 -5.012 -0.400 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.234 -6.367 -0.253 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -12.395 -6.264 -1.255 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -12.708 -5.261 -2.691 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -11.632 -6.673 -2.809 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.083 -7.090 -1.237 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.404 -7.294 -2.412 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.285 -5.918 -2.561 1.00 0.00 H new ATOM 269 N GLU A 21 -11.396 -2.387 -3.534 1.00 0.00 N ATOM 270 CA GLU A 21 -12.315 -1.540 -4.274 1.00 0.00 C ATOM 271 C GLU A 21 -11.746 -1.222 -5.659 1.00 0.00 C ATOM 272 O GLU A 21 -12.497 -1.053 -6.618 1.00 0.00 O ATOM 273 CB GLU A 21 -12.623 -0.256 -3.500 1.00 0.00 C ATOM 274 CG GLU A 21 -13.753 -0.480 -2.494 1.00 0.00 C ATOM 275 CD GLU A 21 -14.922 0.470 -2.761 1.00 0.00 C ATOM 276 OE1 GLU A 21 -15.651 0.211 -3.743 1.00 0.00 O ATOM 277 OE2 GLU A 21 -15.059 1.435 -1.978 1.00 0.00 O ATOM 0 H GLU A 21 -11.010 -1.962 -2.691 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.252 -2.081 -4.403 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.728 0.081 -2.978 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -12.903 0.534 -4.196 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -14.098 -1.512 -2.553 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.379 -0.327 -1.482 1.00 0.00 H new ATOM 284 N LEU A 22 -10.425 -1.151 -5.718 1.00 0.00 N ATOM 285 CA LEU A 22 -9.746 -0.857 -6.969 1.00 0.00 C ATOM 286 C LEU A 22 -9.735 -2.111 -7.845 1.00 0.00 C ATOM 287 O LEU A 22 -10.082 -2.052 -9.024 1.00 0.00 O ATOM 288 CB LEU A 22 -8.354 -0.281 -6.701 1.00 0.00 C ATOM 289 CG LEU A 22 -8.229 1.241 -6.791 1.00 0.00 C ATOM 290 CD1 LEU A 22 -7.547 1.810 -5.545 1.00 0.00 C ATOM 291 CD2 LEU A 22 -7.512 1.657 -8.077 1.00 0.00 C ATOM 0 H LEU A 22 -9.806 -1.292 -4.920 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.283 -0.086 -7.522 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.039 -0.593 -5.705 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.656 -0.726 -7.410 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.233 1.664 -6.830 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.471 2.894 -5.635 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.135 1.560 -4.662 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.549 1.383 -5.449 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.436 2.744 -8.116 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.512 1.223 -8.093 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.076 1.301 -8.939 1.00 0.00 H new ATOM 303 N CYS A 23 -9.333 -3.216 -7.235 1.00 0.00 N ATOM 304 CA CYS A 23 -9.272 -4.483 -7.945 1.00 0.00 C ATOM 305 C CYS A 23 -10.606 -4.695 -8.664 1.00 0.00 C ATOM 306 O CYS A 23 -10.631 -5.066 -9.837 1.00 0.00 O ATOM 307 CB CYS A 23 -8.939 -5.643 -7.005 1.00 0.00 C ATOM 308 SG CYS A 23 -7.295 -5.380 -6.245 1.00 0.00 S ATOM 0 H CYS A 23 -9.046 -3.261 -6.257 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.466 -4.454 -8.678 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.699 -5.722 -6.228 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.948 -6.583 -7.557 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.292 -4.254 -5.595 1.00 0.00 H new ATOM 314 N HIS A 24 -11.682 -4.451 -7.931 1.00 0.00 N ATOM 315 CA HIS A 24 -13.016 -4.611 -8.483 1.00 0.00 C ATOM 316 C HIS A 24 -13.246 -3.570 -9.580 1.00 0.00 C ATOM 317 O HIS A 24 -13.781 -3.888 -10.641 1.00 0.00 O ATOM 318 CB HIS A 24 -14.073 -4.550 -7.378 1.00 0.00 C ATOM 319 CG HIS A 24 -14.405 -5.893 -6.772 1.00 0.00 C ATOM 320 ND1 HIS A 24 -14.695 -7.009 -7.537 1.00 0.00 N ATOM 321 CD2 HIS A 24 -14.490 -6.286 -5.469 1.00 0.00 C ATOM 322 CE1 HIS A 24 -14.942 -8.023 -6.720 1.00 0.00 C ATOM 323 NE2 HIS A 24 -14.815 -7.572 -5.439 1.00 0.00 N ATOM 0 H HIS A 24 -11.657 -4.143 -6.959 1.00 0.00 H new ATOM 0 HA HIS A 24 -13.108 -5.596 -8.940 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -13.722 -3.884 -6.590 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -14.984 -4.111 -7.784 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -14.321 -5.657 -4.607 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -15.199 -9.029 -7.016 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -14.948 -8.131 -4.597 1.00 0.00 H new ATOM 331 N GLN A 25 -12.829 -2.346 -9.287 1.00 0.00 N ATOM 332 CA GLN A 25 -12.982 -1.256 -10.236 1.00 0.00 C ATOM 333 C GLN A 25 -12.329 -1.619 -11.571 1.00 0.00 C ATOM 334 O GLN A 25 -12.835 -1.258 -12.632 1.00 0.00 O ATOM 335 CB GLN A 25 -12.402 0.043 -9.676 1.00 0.00 C ATOM 336 CG GLN A 25 -13.515 1.012 -9.271 1.00 0.00 C ATOM 337 CD GLN A 25 -14.646 0.276 -8.550 1.00 0.00 C ATOM 338 OE1 GLN A 25 -15.725 0.072 -9.302 1.00 0.00 O flip ATOM 339 NE2 GLN A 25 -14.547 -0.084 -7.388 1.00 0.00 N flip ATOM 0 H GLN A 25 -12.386 -2.086 -8.406 1.00 0.00 H new ATOM 0 HA GLN A 25 -14.046 -1.095 -10.407 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.775 -0.177 -8.812 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.762 0.511 -10.423 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.109 1.787 -8.622 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.908 1.511 -10.157 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -13.691 0.104 -6.867 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -15.321 -0.573 -6.938 1.00 0.00 H new ATOM 348 N PHE A 26 -11.213 -2.327 -11.474 1.00 0.00 N ATOM 349 CA PHE A 26 -10.484 -2.741 -12.661 1.00 0.00 C ATOM 350 C PHE A 26 -10.456 -4.266 -12.782 1.00 0.00 C ATOM 351 O PHE A 26 -9.718 -4.936 -12.060 1.00 0.00 O ATOM 352 CB PHE A 26 -9.052 -2.227 -12.509 1.00 0.00 C ATOM 353 CG PHE A 26 -8.940 -0.702 -12.462 1.00 0.00 C ATOM 354 CD1 PHE A 26 -8.826 0.008 -13.617 1.00 0.00 C ATOM 355 CD2 PHE A 26 -8.955 -0.055 -11.265 1.00 0.00 C ATOM 356 CE1 PHE A 26 -8.723 1.423 -13.573 1.00 0.00 C ATOM 357 CE2 PHE A 26 -8.851 1.360 -11.222 1.00 0.00 C ATOM 358 CZ PHE A 26 -8.738 2.070 -12.377 1.00 0.00 C ATOM 0 H PHE A 26 -10.796 -2.624 -10.592 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.967 -2.341 -13.553 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.623 -2.641 -11.596 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.453 -2.600 -13.340 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -8.814 -0.505 -14.567 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -9.046 -0.618 -10.348 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -8.633 1.986 -14.490 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -8.862 1.873 -10.272 1.00 0.00 H new ATOM 0 HZ PHE A 26 -8.660 3.147 -12.344 1.00 0.00 H new ATOM 368 N PRO A 27 -11.290 -4.784 -13.723 1.00 0.00 N ATOM 369 CA PRO A 27 -11.367 -6.218 -13.948 1.00 0.00 C ATOM 370 C PRO A 27 -10.138 -6.720 -14.709 1.00 0.00 C ATOM 371 O PRO A 27 -9.950 -7.926 -14.864 1.00 0.00 O ATOM 372 CB PRO A 27 -12.665 -6.427 -14.710 1.00 0.00 C ATOM 373 CG PRO A 27 -13.032 -5.070 -15.288 1.00 0.00 C ATOM 374 CD PRO A 27 -12.178 -4.022 -14.596 1.00 0.00 C ATOM 0 HA PRO A 27 -11.369 -6.791 -13.020 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.539 -7.167 -15.500 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.450 -6.796 -14.050 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.858 -5.054 -16.364 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -14.091 -4.863 -15.133 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.613 -3.432 -15.318 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.792 -3.325 -14.025 1.00 0.00 H new ATOM 382 N HIS A 28 -9.334 -5.770 -15.164 1.00 0.00 N ATOM 383 CA HIS A 28 -8.130 -6.102 -15.906 1.00 0.00 C ATOM 384 C HIS A 28 -6.935 -6.146 -14.951 1.00 0.00 C ATOM 385 O HIS A 28 -5.993 -6.908 -15.164 1.00 0.00 O ATOM 386 CB HIS A 28 -7.923 -5.130 -17.069 1.00 0.00 C ATOM 387 CG HIS A 28 -9.073 -5.090 -18.047 1.00 0.00 C ATOM 388 ND1 HIS A 28 -9.295 -4.023 -18.901 1.00 0.00 N ATOM 389 CD2 HIS A 28 -10.062 -5.995 -18.299 1.00 0.00 C ATOM 390 CE1 HIS A 28 -10.371 -4.285 -19.628 1.00 0.00 C ATOM 391 NE2 HIS A 28 -10.845 -5.508 -19.253 1.00 0.00 N ATOM 0 H HIS A 28 -9.493 -4.771 -15.033 1.00 0.00 H new ATOM 0 HA HIS A 28 -8.234 -7.092 -16.350 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.765 -4.129 -16.669 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -7.014 -5.407 -17.603 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -10.187 -6.947 -17.805 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.798 -3.643 -20.385 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -11.666 -5.972 -19.642 1.00 0.00 H new ATOM 399 N GLY A 29 -7.013 -5.318 -13.919 1.00 0.00 N ATOM 400 CA GLY A 29 -5.950 -5.253 -12.930 1.00 0.00 C ATOM 401 C GLY A 29 -5.456 -3.816 -12.751 1.00 0.00 C ATOM 402 O GLY A 29 -5.773 -2.942 -13.556 1.00 0.00 O ATOM 0 H GLY A 29 -7.795 -4.687 -13.746 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.311 -5.639 -11.977 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.122 -5.891 -13.239 1.00 0.00 H new ATOM 406 N ILE A 30 -4.686 -3.617 -11.691 1.00 0.00 N ATOM 407 CA ILE A 30 -4.145 -2.301 -11.395 1.00 0.00 C ATOM 408 C ILE A 30 -2.631 -2.409 -11.201 1.00 0.00 C ATOM 409 O ILE A 30 -2.151 -3.327 -10.538 1.00 0.00 O ATOM 410 CB ILE A 30 -4.875 -1.677 -10.204 1.00 0.00 C ATOM 411 CG1 ILE A 30 -4.571 -2.440 -8.913 1.00 0.00 C ATOM 412 CG2 ILE A 30 -6.378 -1.579 -10.473 1.00 0.00 C ATOM 413 CD1 ILE A 30 -5.388 -1.886 -7.744 1.00 0.00 C ATOM 0 H ILE A 30 -4.424 -4.345 -11.027 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.312 -1.623 -12.232 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.505 -0.660 -10.071 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.796 -3.498 -9.050 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.508 -2.367 -8.685 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.874 -1.132 -9.611 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.551 -0.959 -11.353 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.782 -2.576 -10.647 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.153 -2.446 -6.839 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.143 -0.835 -7.595 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.451 -1.983 -7.965 1.00 0.00 H new ATOM 425 N THR A 31 -1.922 -1.458 -11.790 1.00 0.00 N ATOM 426 CA THR A 31 -0.473 -1.435 -11.690 1.00 0.00 C ATOM 427 C THR A 31 -0.032 -0.534 -10.535 1.00 0.00 C ATOM 428 O THR A 31 -0.722 0.427 -10.194 1.00 0.00 O ATOM 429 CB THR A 31 0.088 -1.001 -13.046 1.00 0.00 C ATOM 430 OG1 THR A 31 -0.474 0.291 -13.257 1.00 0.00 O ATOM 431 CG2 THR A 31 -0.462 -1.839 -14.202 1.00 0.00 C ATOM 0 H THR A 31 -2.324 -0.698 -12.338 1.00 0.00 H new ATOM 0 HA THR A 31 -0.077 -2.424 -11.459 1.00 0.00 H new ATOM 0 HB THR A 31 1.175 -1.074 -13.029 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.161 0.648 -14.114 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.032 -1.490 -15.141 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.199 -2.886 -14.050 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.547 -1.739 -14.240 1.00 0.00 H new ATOM 439 N ASP A 32 1.113 -0.876 -9.963 1.00 0.00 N ATOM 440 CA ASP A 32 1.653 -0.110 -8.853 1.00 0.00 C ATOM 441 C ASP A 32 1.489 1.384 -9.141 1.00 0.00 C ATOM 442 O ASP A 32 1.246 2.173 -8.229 1.00 0.00 O ATOM 443 CB ASP A 32 3.145 -0.393 -8.663 1.00 0.00 C ATOM 444 CG ASP A 32 3.788 0.306 -7.463 1.00 0.00 C ATOM 445 OD1 ASP A 32 3.215 0.182 -6.360 1.00 0.00 O ATOM 446 OD2 ASP A 32 4.838 0.949 -7.678 1.00 0.00 O ATOM 0 H ASP A 32 1.682 -1.673 -10.248 1.00 0.00 H new ATOM 0 HA ASP A 32 1.113 -0.398 -7.951 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.285 -1.469 -8.556 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.675 -0.092 -9.567 1.00 0.00 H new ATOM 451 N GLN A 33 1.628 1.727 -10.414 1.00 0.00 N ATOM 452 CA GLN A 33 1.498 3.112 -10.834 1.00 0.00 C ATOM 453 C GLN A 33 0.092 3.630 -10.526 1.00 0.00 C ATOM 454 O GLN A 33 -0.065 4.651 -9.858 1.00 0.00 O ATOM 455 CB GLN A 33 1.827 3.268 -12.320 1.00 0.00 C ATOM 456 CG GLN A 33 3.048 4.167 -12.520 1.00 0.00 C ATOM 457 CD GLN A 33 2.772 5.587 -12.022 1.00 0.00 C ATOM 458 OE1 GLN A 33 2.252 5.802 -10.939 1.00 0.00 O ATOM 459 NE2 GLN A 33 3.146 6.540 -12.870 1.00 0.00 N ATOM 0 H GLN A 33 1.829 1.070 -11.168 1.00 0.00 H new ATOM 0 HA GLN A 33 2.216 3.710 -10.273 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.017 2.288 -12.759 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.970 3.691 -12.843 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.902 3.750 -11.986 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.315 4.194 -13.576 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.576 6.290 -13.761 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.003 7.521 -12.630 1.00 0.00 H new ATOM 468 N VAL A 34 -0.895 2.903 -11.028 1.00 0.00 N ATOM 469 CA VAL A 34 -2.283 3.276 -10.816 1.00 0.00 C ATOM 470 C VAL A 34 -2.501 3.591 -9.334 1.00 0.00 C ATOM 471 O VAL A 34 -2.713 4.746 -8.966 1.00 0.00 O ATOM 472 CB VAL A 34 -3.207 2.172 -11.334 1.00 0.00 C ATOM 473 CG1 VAL A 34 -4.623 2.337 -10.778 1.00 0.00 C ATOM 474 CG2 VAL A 34 -3.219 2.140 -12.863 1.00 0.00 C ATOM 0 H VAL A 34 -0.761 2.057 -11.581 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.527 4.176 -11.380 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.818 1.217 -10.982 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.260 1.540 -11.162 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.595 2.287 -9.690 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.025 3.302 -11.086 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.883 1.346 -13.205 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.572 3.098 -13.244 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.210 1.952 -13.231 1.00 0.00 H new ATOM 484 N ILE A 35 -2.441 2.545 -8.524 1.00 0.00 N ATOM 485 CA ILE A 35 -2.629 2.695 -7.091 1.00 0.00 C ATOM 486 C ILE A 35 -1.885 3.944 -6.612 1.00 0.00 C ATOM 487 O ILE A 35 -2.351 4.642 -5.713 1.00 0.00 O ATOM 488 CB ILE A 35 -2.218 1.416 -6.360 1.00 0.00 C ATOM 489 CG1 ILE A 35 -3.084 0.233 -6.796 1.00 0.00 C ATOM 490 CG2 ILE A 35 -2.246 1.619 -4.843 1.00 0.00 C ATOM 491 CD1 ILE A 35 -2.292 -1.076 -6.741 1.00 0.00 C ATOM 0 H ILE A 35 -2.265 1.589 -8.833 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.684 2.842 -6.858 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.190 1.180 -6.635 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.959 0.160 -6.150 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.449 0.399 -7.809 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.950 0.695 -4.347 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.554 2.416 -4.570 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.254 1.891 -4.531 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.931 -1.901 -7.056 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.431 -1.009 -7.407 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.949 -1.251 -5.721 1.00 0.00 H new ATOM 503 N GLN A 36 -0.741 4.187 -7.235 1.00 0.00 N ATOM 504 CA GLN A 36 0.072 5.339 -6.883 1.00 0.00 C ATOM 505 C GLN A 36 -0.718 6.631 -7.098 1.00 0.00 C ATOM 506 O GLN A 36 -0.770 7.485 -6.214 1.00 0.00 O ATOM 507 CB GLN A 36 1.376 5.354 -7.683 1.00 0.00 C ATOM 508 CG GLN A 36 2.535 5.877 -6.832 1.00 0.00 C ATOM 509 CD GLN A 36 3.742 6.228 -7.705 1.00 0.00 C ATOM 510 OE1 GLN A 36 4.272 5.407 -8.435 1.00 0.00 O ATOM 511 NE2 GLN A 36 4.145 7.490 -7.588 1.00 0.00 N ATOM 0 H GLN A 36 -0.358 3.606 -7.981 1.00 0.00 H new ATOM 0 HA GLN A 36 0.333 5.267 -5.827 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.603 4.347 -8.034 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.257 5.981 -8.567 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.214 6.759 -6.277 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.820 5.124 -6.097 1.00 0.00 H new ATOM 0 HE21 GLN A 36 3.656 8.125 -6.958 1.00 0.00 H new ATOM 0 HE22 GLN A 36 4.943 7.823 -8.129 1.00 0.00 H new ATOM 520 N ASN A 37 -1.313 6.734 -8.277 1.00 0.00 N ATOM 521 CA ASN A 37 -2.098 7.908 -8.619 1.00 0.00 C ATOM 522 C ASN A 37 -3.399 7.899 -7.814 1.00 0.00 C ATOM 523 O ASN A 37 -4.134 8.885 -7.803 1.00 0.00 O ATOM 524 CB ASN A 37 -2.462 7.914 -10.105 1.00 0.00 C ATOM 525 CG ASN A 37 -1.889 9.148 -10.805 1.00 0.00 C ATOM 526 OD1 ASN A 37 -1.839 10.237 -10.257 1.00 0.00 O ATOM 527 ND2 ASN A 37 -1.462 8.918 -12.043 1.00 0.00 N ATOM 0 H ASN A 37 -1.267 6.024 -9.008 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.501 8.791 -8.390 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.079 7.011 -10.581 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.546 7.898 -10.218 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.063 9.678 -12.594 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.533 7.982 -12.441 1.00 0.00 H new ATOM 534 N GLU A 38 -3.644 6.773 -7.159 1.00 0.00 N ATOM 535 CA GLU A 38 -4.844 6.623 -6.353 1.00 0.00 C ATOM 536 C GLU A 38 -4.544 6.951 -4.889 1.00 0.00 C ATOM 537 O GLU A 38 -5.369 7.554 -4.203 1.00 0.00 O ATOM 538 CB GLU A 38 -5.423 5.214 -6.491 1.00 0.00 C ATOM 539 CG GLU A 38 -5.807 4.918 -7.942 1.00 0.00 C ATOM 540 CD GLU A 38 -6.778 5.972 -8.478 1.00 0.00 C ATOM 541 OE1 GLU A 38 -7.668 6.372 -7.698 1.00 0.00 O ATOM 542 OE2 GLU A 38 -6.608 6.353 -9.657 1.00 0.00 O ATOM 0 H GLU A 38 -3.032 5.957 -7.170 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.593 7.326 -6.717 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.692 4.482 -6.148 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.300 5.113 -5.851 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.911 4.895 -8.562 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.264 3.931 -8.007 1.00 0.00 H new ATOM 549 N MET A 39 -3.362 6.541 -4.453 1.00 0.00 N ATOM 550 CA MET A 39 -2.944 6.785 -3.084 1.00 0.00 C ATOM 551 C MET A 39 -1.432 7.004 -3.003 1.00 0.00 C ATOM 552 O MET A 39 -0.705 6.159 -2.483 1.00 0.00 O ATOM 553 CB MET A 39 -3.334 5.590 -2.211 1.00 0.00 C ATOM 554 CG MET A 39 -4.775 5.157 -2.486 1.00 0.00 C ATOM 555 SD MET A 39 -5.365 4.119 -1.159 1.00 0.00 S ATOM 556 CE MET A 39 -4.638 2.560 -1.638 1.00 0.00 C ATOM 0 H MET A 39 -2.681 6.041 -5.024 1.00 0.00 H new ATOM 0 HA MET A 39 -3.442 7.686 -2.727 1.00 0.00 H new ATOM 0 HB2 MET A 39 -2.657 4.758 -2.404 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.224 5.852 -1.159 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.414 6.034 -2.584 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.827 4.617 -3.432 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.818 1.820 -0.859 1.00 0.00 H new ATOM 0 HE2 MET A 39 -5.087 2.221 -2.572 1.00 0.00 H new ATOM 0 HE3 MET A 39 -3.564 2.687 -1.777 1.00 0.00 H new ATOM 566 N PRO A 40 -0.991 8.174 -3.539 1.00 0.00 N ATOM 567 CA PRO A 40 0.421 8.515 -3.532 1.00 0.00 C ATOM 568 C PRO A 40 0.875 8.944 -2.135 1.00 0.00 C ATOM 569 O PRO A 40 2.042 9.277 -1.933 1.00 0.00 O ATOM 570 CB PRO A 40 0.564 9.619 -4.568 1.00 0.00 C ATOM 571 CG PRO A 40 -0.835 10.175 -4.780 1.00 0.00 C ATOM 572 CD PRO A 40 -1.823 9.199 -4.162 1.00 0.00 C ATOM 0 HA PRO A 40 1.060 7.667 -3.781 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.244 10.396 -4.219 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.975 9.230 -5.499 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.929 11.158 -4.318 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.038 10.302 -5.843 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.460 9.692 -3.428 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.481 8.770 -4.918 1.00 0.00 H new ATOM 580 N HIS A 41 -0.071 8.922 -1.208 1.00 0.00 N ATOM 581 CA HIS A 41 0.217 9.305 0.164 1.00 0.00 C ATOM 582 C HIS A 41 0.661 8.074 0.957 1.00 0.00 C ATOM 583 O HIS A 41 1.406 8.193 1.929 1.00 0.00 O ATOM 584 CB HIS A 41 -0.983 10.015 0.794 1.00 0.00 C ATOM 585 CG HIS A 41 -2.202 9.138 0.953 1.00 0.00 C ATOM 586 ND1 HIS A 41 -3.255 9.149 0.056 1.00 0.00 N ATOM 587 CD2 HIS A 41 -2.522 8.223 1.912 1.00 0.00 C ATOM 588 CE1 HIS A 41 -4.164 8.277 0.467 1.00 0.00 C ATOM 589 NE2 HIS A 41 -3.708 7.705 1.619 1.00 0.00 N ATOM 0 H HIS A 41 -1.038 8.645 -1.380 1.00 0.00 H new ATOM 0 HA HIS A 41 1.038 10.021 0.181 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -0.693 10.397 1.773 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -1.246 10.877 0.180 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -1.913 7.964 2.766 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -5.101 8.058 -0.023 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -4.198 6.996 2.165 1.00 0.00 H new ATOM 597 N ILE A 42 0.184 6.920 0.514 1.00 0.00 N ATOM 598 CA ILE A 42 0.522 5.669 1.171 1.00 0.00 C ATOM 599 C ILE A 42 2.039 5.473 1.136 1.00 0.00 C ATOM 600 O ILE A 42 2.734 6.120 0.354 1.00 0.00 O ATOM 601 CB ILE A 42 -0.262 4.510 0.551 1.00 0.00 C ATOM 602 CG1 ILE A 42 -1.769 4.756 0.643 1.00 0.00 C ATOM 603 CG2 ILE A 42 0.141 3.176 1.182 1.00 0.00 C ATOM 604 CD1 ILE A 42 -2.343 4.166 1.933 1.00 0.00 C ATOM 0 H ILE A 42 -0.434 6.825 -0.292 1.00 0.00 H new ATOM 0 HA ILE A 42 0.228 5.698 2.220 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.009 4.454 -0.508 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.969 5.827 0.608 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.267 4.310 -0.218 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.431 2.369 0.724 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.205 3.004 1.020 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.064 3.203 2.252 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.416 4.355 1.974 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.163 3.091 1.953 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.860 4.631 2.792 1.00 0.00 H new ATOM 616 N GLU A 43 2.508 4.579 1.993 1.00 0.00 N ATOM 617 CA GLU A 43 3.930 4.290 2.071 1.00 0.00 C ATOM 618 C GLU A 43 4.253 3.007 1.303 1.00 0.00 C ATOM 619 O GLU A 43 3.369 2.190 1.050 1.00 0.00 O ATOM 620 CB GLU A 43 4.390 4.189 3.526 1.00 0.00 C ATOM 621 CG GLU A 43 5.073 5.482 3.976 1.00 0.00 C ATOM 622 CD GLU A 43 6.539 5.232 4.336 1.00 0.00 C ATOM 623 OE1 GLU A 43 6.765 4.480 5.308 1.00 0.00 O ATOM 624 OE2 GLU A 43 7.401 5.798 3.629 1.00 0.00 O ATOM 0 H GLU A 43 1.928 4.045 2.640 1.00 0.00 H new ATOM 0 HA GLU A 43 4.475 5.114 1.609 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.534 3.983 4.168 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.079 3.352 3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.012 6.225 3.181 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.548 5.893 4.838 1.00 0.00 H new ATOM 631 N ALA A 44 5.524 2.869 0.953 1.00 0.00 N ATOM 632 CA ALA A 44 5.975 1.699 0.219 1.00 0.00 C ATOM 633 C ALA A 44 5.564 0.436 0.978 1.00 0.00 C ATOM 634 O ALA A 44 4.714 -0.323 0.514 1.00 0.00 O ATOM 635 CB ALA A 44 7.488 1.783 0.004 1.00 0.00 C ATOM 0 H ALA A 44 6.255 3.548 1.164 1.00 0.00 H new ATOM 0 HA ALA A 44 5.507 1.660 -0.765 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.827 0.905 -0.547 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.725 2.682 -0.565 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.991 1.822 0.970 1.00 0.00 H new ATOM 641 N GLN A 45 6.186 0.249 2.133 1.00 0.00 N ATOM 642 CA GLN A 45 5.895 -0.909 2.961 1.00 0.00 C ATOM 643 C GLN A 45 4.383 -1.081 3.121 1.00 0.00 C ATOM 644 O GLN A 45 3.882 -2.204 3.142 1.00 0.00 O ATOM 645 CB GLN A 45 6.581 -0.795 4.324 1.00 0.00 C ATOM 646 CG GLN A 45 7.971 -1.434 4.294 1.00 0.00 C ATOM 647 CD GLN A 45 8.865 -0.855 5.392 1.00 0.00 C ATOM 648 OE1 GLN A 45 8.530 0.113 6.055 1.00 0.00 O ATOM 649 NE2 GLN A 45 10.018 -1.499 5.546 1.00 0.00 N ATOM 0 H GLN A 45 6.890 0.880 2.515 1.00 0.00 H new ATOM 0 HA GLN A 45 6.291 -1.795 2.465 1.00 0.00 H new ATOM 0 HB2 GLN A 45 6.665 0.255 4.606 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.970 -1.281 5.084 1.00 0.00 H new ATOM 0 HG2 GLN A 45 7.882 -2.513 4.424 1.00 0.00 H new ATOM 0 HG3 GLN A 45 8.431 -1.267 3.320 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.236 -2.303 4.957 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.685 -1.189 6.253 1.00 0.00 H new ATOM 658 N GLN A 46 3.700 0.048 3.229 1.00 0.00 N ATOM 659 CA GLN A 46 2.255 0.037 3.387 1.00 0.00 C ATOM 660 C GLN A 46 1.589 -0.530 2.131 1.00 0.00 C ATOM 661 O GLN A 46 0.791 -1.462 2.215 1.00 0.00 O ATOM 662 CB GLN A 46 1.727 1.437 3.703 1.00 0.00 C ATOM 663 CG GLN A 46 2.153 1.880 5.104 1.00 0.00 C ATOM 664 CD GLN A 46 1.238 2.988 5.631 1.00 0.00 C ATOM 665 OE1 GLN A 46 1.328 4.141 5.241 1.00 0.00 O ATOM 666 NE2 GLN A 46 0.354 2.576 6.535 1.00 0.00 N ATOM 0 H GLN A 46 4.120 0.977 3.210 1.00 0.00 H new ATOM 0 HA GLN A 46 2.006 -0.608 4.230 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.101 2.146 2.964 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.639 1.444 3.630 1.00 0.00 H new ATOM 0 HG2 GLN A 46 2.126 1.028 5.783 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.183 2.235 5.079 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.332 1.596 6.817 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.302 3.240 6.946 1.00 0.00 H new ATOM 675 N ARG A 47 1.942 0.056 0.997 1.00 0.00 N ATOM 676 CA ARG A 47 1.388 -0.378 -0.274 1.00 0.00 C ATOM 677 C ARG A 47 1.732 -1.848 -0.528 1.00 0.00 C ATOM 678 O ARG A 47 0.881 -2.621 -0.964 1.00 0.00 O ATOM 679 CB ARG A 47 1.926 0.470 -1.428 1.00 0.00 C ATOM 680 CG ARG A 47 0.932 1.569 -1.810 1.00 0.00 C ATOM 681 CD ARG A 47 1.267 2.159 -3.182 1.00 0.00 C ATOM 682 NE ARG A 47 2.249 3.256 -3.035 1.00 0.00 N ATOM 683 CZ ARG A 47 3.575 3.075 -2.978 1.00 0.00 C ATOM 684 NH1 ARG A 47 4.086 1.838 -3.056 1.00 0.00 N ATOM 685 NH2 ARG A 47 4.391 4.129 -2.844 1.00 0.00 N ATOM 0 H ARG A 47 2.605 0.828 0.932 1.00 0.00 H new ATOM 0 HA ARG A 47 0.306 -0.257 -0.223 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.877 0.918 -1.142 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.120 -0.166 -2.292 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.079 1.162 -1.822 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.949 2.357 -1.057 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.671 1.383 -3.832 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.360 2.533 -3.658 1.00 0.00 H new ATOM 0 HE ARG A 47 1.894 4.210 -2.973 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.465 1.035 -3.159 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.096 1.700 -3.013 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.003 5.070 -2.785 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.401 3.990 -2.801 1.00 0.00 H new ATOM 699 N ALA A 48 2.980 -2.188 -0.243 1.00 0.00 N ATOM 700 CA ALA A 48 3.446 -3.551 -0.435 1.00 0.00 C ATOM 701 C ALA A 48 2.714 -4.478 0.537 1.00 0.00 C ATOM 702 O ALA A 48 2.066 -5.436 0.119 1.00 0.00 O ATOM 703 CB ALA A 48 4.965 -3.601 -0.257 1.00 0.00 C ATOM 0 H ALA A 48 3.683 -1.544 0.119 1.00 0.00 H new ATOM 0 HA ALA A 48 3.225 -3.893 -1.446 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.315 -4.623 -0.401 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.439 -2.949 -0.990 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.225 -3.267 0.747 1.00 0.00 H new ATOM 709 N VAL A 49 2.842 -4.159 1.817 1.00 0.00 N ATOM 710 CA VAL A 49 2.201 -4.951 2.853 1.00 0.00 C ATOM 711 C VAL A 49 0.785 -5.320 2.404 1.00 0.00 C ATOM 712 O VAL A 49 0.488 -6.491 2.175 1.00 0.00 O ATOM 713 CB VAL A 49 2.229 -4.195 4.183 1.00 0.00 C ATOM 714 CG1 VAL A 49 1.096 -4.659 5.101 1.00 0.00 C ATOM 715 CG2 VAL A 49 3.588 -4.344 4.870 1.00 0.00 C ATOM 0 H VAL A 49 3.380 -3.363 2.160 1.00 0.00 H new ATOM 0 HA VAL A 49 2.744 -5.882 3.013 1.00 0.00 H new ATOM 0 HB VAL A 49 2.076 -3.137 3.971 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.139 -4.106 6.039 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.137 -4.477 4.616 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.204 -5.725 5.303 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.581 -3.797 5.813 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.784 -5.399 5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.368 -3.942 4.224 1.00 0.00 H new ATOM 725 N ALA A 50 -0.050 -4.298 2.292 1.00 0.00 N ATOM 726 CA ALA A 50 -1.427 -4.499 1.875 1.00 0.00 C ATOM 727 C ALA A 50 -1.456 -5.421 0.654 1.00 0.00 C ATOM 728 O ALA A 50 -2.242 -6.367 0.604 1.00 0.00 O ATOM 729 CB ALA A 50 -2.080 -3.144 1.597 1.00 0.00 C ATOM 0 H ALA A 50 0.201 -3.328 2.483 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.001 -4.981 2.667 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.113 -3.295 1.284 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.060 -2.538 2.503 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.533 -2.632 0.806 1.00 0.00 H new ATOM 735 N ILE A 51 -0.590 -5.114 -0.300 1.00 0.00 N ATOM 736 CA ILE A 51 -0.506 -5.904 -1.517 1.00 0.00 C ATOM 737 C ILE A 51 -0.214 -7.361 -1.155 1.00 0.00 C ATOM 738 O ILE A 51 -1.022 -8.247 -1.431 1.00 0.00 O ATOM 739 CB ILE A 51 0.512 -5.293 -2.483 1.00 0.00 C ATOM 740 CG1 ILE A 51 -0.077 -4.079 -3.204 1.00 0.00 C ATOM 741 CG2 ILE A 51 1.036 -6.344 -3.463 1.00 0.00 C ATOM 742 CD1 ILE A 51 1.013 -3.299 -3.943 1.00 0.00 C ATOM 0 H ILE A 51 0.060 -4.329 -0.255 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.459 -5.892 -2.046 1.00 0.00 H new ATOM 0 HB ILE A 51 1.365 -4.940 -1.903 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.839 -4.406 -3.912 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.570 -3.427 -2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.758 -5.884 -4.138 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.519 -7.149 -2.909 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.205 -6.749 -4.041 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.568 -2.441 -4.447 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.760 -2.953 -3.229 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.488 -3.947 -4.680 1.00 0.00 H new ATOM 754 N ASN A 52 0.944 -7.565 -0.544 1.00 0.00 N ATOM 755 CA ASN A 52 1.353 -8.900 -0.141 1.00 0.00 C ATOM 756 C ASN A 52 0.191 -9.590 0.576 1.00 0.00 C ATOM 757 O ASN A 52 -0.233 -10.674 0.177 1.00 0.00 O ATOM 758 CB ASN A 52 2.539 -8.845 0.824 1.00 0.00 C ATOM 759 CG ASN A 52 3.571 -9.922 0.486 1.00 0.00 C ATOM 760 OD1 ASN A 52 3.245 -11.031 0.097 1.00 0.00 O ATOM 761 ND2 ASN A 52 4.832 -9.535 0.656 1.00 0.00 N ATOM 0 H ASN A 52 1.612 -6.828 -0.318 1.00 0.00 H new ATOM 0 HA ASN A 52 1.643 -9.449 -1.037 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.006 -7.861 0.776 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.187 -8.982 1.847 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.595 -10.182 0.458 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.036 -8.591 0.985 1.00 0.00 H new ATOM 768 N ARG A 53 -0.291 -8.934 1.621 1.00 0.00 N ATOM 769 CA ARG A 53 -1.395 -9.471 2.398 1.00 0.00 C ATOM 770 C ARG A 53 -2.494 -9.990 1.468 1.00 0.00 C ATOM 771 O ARG A 53 -2.856 -11.164 1.523 1.00 0.00 O ATOM 772 CB ARG A 53 -1.983 -8.408 3.328 1.00 0.00 C ATOM 773 CG ARG A 53 -1.438 -8.562 4.749 1.00 0.00 C ATOM 774 CD ARG A 53 -0.621 -7.334 5.159 1.00 0.00 C ATOM 775 NE ARG A 53 -1.164 -6.760 6.410 1.00 0.00 N ATOM 776 CZ ARG A 53 -0.840 -7.191 7.637 1.00 0.00 C ATOM 777 NH1 ARG A 53 0.025 -8.203 7.785 1.00 0.00 N ATOM 778 NH2 ARG A 53 -1.382 -6.609 8.716 1.00 0.00 N ATOM 0 H ARG A 53 0.063 -8.035 1.948 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.008 -10.291 3.003 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.744 -7.415 2.948 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.070 -8.491 3.340 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.264 -8.703 5.446 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.815 -9.454 4.809 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.423 -7.612 5.300 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.648 -6.588 4.365 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.826 -5.988 6.334 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.437 -8.646 6.964 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.271 -8.531 8.719 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.041 -5.838 8.603 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -1.136 -6.937 9.650 1.00 0.00 H new ATOM 792 N LEU A 54 -2.996 -9.089 0.637 1.00 0.00 N ATOM 793 CA LEU A 54 -4.046 -9.441 -0.303 1.00 0.00 C ATOM 794 C LEU A 54 -3.603 -10.650 -1.128 1.00 0.00 C ATOM 795 O LEU A 54 -4.349 -11.618 -1.268 1.00 0.00 O ATOM 796 CB LEU A 54 -4.435 -8.228 -1.151 1.00 0.00 C ATOM 797 CG LEU A 54 -5.017 -7.035 -0.389 1.00 0.00 C ATOM 798 CD1 LEU A 54 -4.962 -5.763 -1.237 1.00 0.00 C ATOM 799 CD2 LEU A 54 -6.434 -7.337 0.102 1.00 0.00 C ATOM 0 H LEU A 54 -2.695 -8.115 0.595 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.951 -9.733 0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.552 -7.891 -1.694 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.164 -8.549 -1.895 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.402 -6.860 0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.382 -4.931 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.926 -5.542 -1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.539 -5.909 -2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.824 -6.473 0.640 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.076 -7.553 -0.752 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.412 -8.200 0.768 1.00 0.00 H new ATOM 811 N LEU A 55 -2.390 -10.556 -1.653 1.00 0.00 N ATOM 812 CA LEU A 55 -1.838 -11.631 -2.460 1.00 0.00 C ATOM 813 C LEU A 55 -2.006 -12.958 -1.718 1.00 0.00 C ATOM 814 O LEU A 55 -2.561 -13.912 -2.261 1.00 0.00 O ATOM 815 CB LEU A 55 -0.391 -11.321 -2.848 1.00 0.00 C ATOM 816 CG LEU A 55 -0.190 -10.145 -3.805 1.00 0.00 C ATOM 817 CD1 LEU A 55 1.298 -9.862 -4.021 1.00 0.00 C ATOM 818 CD2 LEU A 55 -0.926 -10.381 -5.126 1.00 0.00 C ATOM 0 H LEU A 55 -1.774 -9.752 -1.535 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.383 -11.720 -3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.174 -11.123 -1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.041 -12.212 -3.303 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.624 -9.255 -3.349 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.413 -9.021 -4.705 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.764 -9.619 -3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.778 -10.744 -4.445 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.767 -9.530 -5.788 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.544 -11.286 -5.599 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.993 -10.496 -4.933 1.00 0.00 H new ATOM 830 N SER A 56 -1.516 -12.977 -0.487 1.00 0.00 N ATOM 831 CA SER A 56 -1.604 -14.171 0.336 1.00 0.00 C ATOM 832 C SER A 56 -3.066 -14.465 0.677 1.00 0.00 C ATOM 833 O SER A 56 -3.590 -15.520 0.323 1.00 0.00 O ATOM 834 CB SER A 56 -0.780 -14.020 1.616 1.00 0.00 C ATOM 835 OG SER A 56 -0.317 -15.277 2.104 1.00 0.00 O ATOM 0 H SER A 56 -1.056 -12.184 -0.040 1.00 0.00 H new ATOM 0 HA SER A 56 -1.195 -15.007 -0.230 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.073 -13.369 1.423 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.385 -13.534 2.382 1.00 0.00 H new ATOM 0 HG SER A 56 0.206 -15.138 2.921 1.00 0.00 H new ATOM 841 N MET A 57 -3.684 -13.512 1.360 1.00 0.00 N ATOM 842 CA MET A 57 -5.076 -13.656 1.753 1.00 0.00 C ATOM 843 C MET A 57 -5.886 -14.350 0.656 1.00 0.00 C ATOM 844 O MET A 57 -6.854 -15.051 0.945 1.00 0.00 O ATOM 845 CB MET A 57 -5.672 -12.275 2.032 1.00 0.00 C ATOM 846 CG MET A 57 -5.066 -11.661 3.296 1.00 0.00 C ATOM 847 SD MET A 57 -6.365 -11.132 4.400 1.00 0.00 S ATOM 848 CE MET A 57 -6.030 -9.380 4.456 1.00 0.00 C ATOM 0 H MET A 57 -3.247 -12.638 1.651 1.00 0.00 H new ATOM 0 HA MET A 57 -5.119 -14.269 2.653 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.490 -11.618 1.181 1.00 0.00 H new ATOM 0 HB3 MET A 57 -6.753 -12.358 2.146 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.428 -12.391 3.795 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.434 -10.813 3.032 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.463 -8.955 5.362 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.952 -9.215 4.458 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.469 -8.898 3.583 1.00 0.00 H new ATOM 858 N GLY A 58 -5.460 -14.130 -0.579 1.00 0.00 N ATOM 859 CA GLY A 58 -6.135 -14.725 -1.720 1.00 0.00 C ATOM 860 C GLY A 58 -7.241 -13.807 -2.244 1.00 0.00 C ATOM 861 O GLY A 58 -8.094 -14.237 -3.018 1.00 0.00 O ATOM 0 H GLY A 58 -4.656 -13.548 -0.815 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.413 -14.919 -2.513 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.561 -15.687 -1.434 1.00 0.00 H new ATOM 865 N GLN A 59 -7.191 -12.560 -1.800 1.00 0.00 N ATOM 866 CA GLN A 59 -8.178 -11.578 -2.214 1.00 0.00 C ATOM 867 C GLN A 59 -7.709 -10.854 -3.478 1.00 0.00 C ATOM 868 O GLN A 59 -8.525 -10.451 -4.306 1.00 0.00 O ATOM 869 CB GLN A 59 -8.467 -10.583 -1.088 1.00 0.00 C ATOM 870 CG GLN A 59 -8.965 -11.304 0.166 1.00 0.00 C ATOM 871 CD GLN A 59 -10.436 -10.983 0.436 1.00 0.00 C ATOM 872 OE1 GLN A 59 -11.333 -11.425 -0.263 1.00 0.00 O ATOM 873 NE2 GLN A 59 -10.633 -10.190 1.485 1.00 0.00 N ATOM 0 H GLN A 59 -6.482 -12.207 -1.157 1.00 0.00 H new ATOM 0 HA GLN A 59 -9.108 -12.100 -2.441 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.563 -10.021 -0.854 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -9.215 -9.862 -1.418 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.840 -12.380 0.045 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.361 -11.008 1.024 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.837 -9.855 2.028 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.580 -9.917 1.747 1.00 0.00 H new ATOM 882 N LEU A 60 -6.396 -10.712 -3.588 1.00 0.00 N ATOM 883 CA LEU A 60 -5.809 -10.044 -4.737 1.00 0.00 C ATOM 884 C LEU A 60 -5.101 -11.078 -5.615 1.00 0.00 C ATOM 885 O LEU A 60 -4.580 -12.072 -5.112 1.00 0.00 O ATOM 886 CB LEU A 60 -4.903 -8.897 -4.285 1.00 0.00 C ATOM 887 CG LEU A 60 -4.064 -8.234 -5.379 1.00 0.00 C ATOM 888 CD1 LEU A 60 -4.957 -7.647 -6.474 1.00 0.00 C ATOM 889 CD2 LEU A 60 -3.120 -7.186 -4.787 1.00 0.00 C ATOM 0 H LEU A 60 -5.722 -11.048 -2.900 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.585 -9.584 -5.348 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.524 -8.133 -3.817 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.229 -9.274 -3.516 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.443 -9.000 -5.845 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.336 -7.182 -7.239 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.552 -8.442 -6.923 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.620 -6.899 -6.040 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.535 -6.730 -5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.702 -6.417 -4.279 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.449 -7.663 -4.073 1.00 0.00 H new ATOM 901 N ASP A 61 -5.104 -10.807 -6.912 1.00 0.00 N ATOM 902 CA ASP A 61 -4.468 -11.701 -7.864 1.00 0.00 C ATOM 903 C ASP A 61 -3.362 -10.947 -8.605 1.00 0.00 C ATOM 904 O ASP A 61 -3.622 -9.932 -9.249 1.00 0.00 O ATOM 905 CB ASP A 61 -5.473 -12.206 -8.902 1.00 0.00 C ATOM 906 CG ASP A 61 -5.613 -13.727 -8.981 1.00 0.00 C ATOM 907 OD1 ASP A 61 -4.669 -14.408 -8.526 1.00 0.00 O ATOM 908 OD2 ASP A 61 -6.661 -14.175 -9.495 1.00 0.00 O ATOM 0 H ASP A 61 -5.537 -9.981 -7.326 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.063 -12.549 -7.312 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.450 -11.778 -8.678 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -5.178 -11.832 -9.883 1.00 0.00 H new ATOM 913 N LEU A 62 -2.151 -11.473 -8.489 1.00 0.00 N ATOM 914 CA LEU A 62 -1.005 -10.862 -9.139 1.00 0.00 C ATOM 915 C LEU A 62 -0.891 -11.396 -10.569 1.00 0.00 C ATOM 916 O LEU A 62 -1.142 -12.574 -10.818 1.00 0.00 O ATOM 917 CB LEU A 62 0.259 -11.070 -8.303 1.00 0.00 C ATOM 918 CG LEU A 62 1.319 -9.972 -8.405 1.00 0.00 C ATOM 919 CD1 LEU A 62 2.460 -10.217 -7.415 1.00 0.00 C ATOM 920 CD2 LEU A 62 1.826 -9.830 -9.841 1.00 0.00 C ATOM 0 H LEU A 62 -1.939 -12.315 -7.954 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.138 -9.783 -9.210 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.033 -11.169 -7.258 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.714 -12.015 -8.598 1.00 0.00 H new ATOM 0 HG LEU A 62 0.855 -9.024 -8.133 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.200 -9.422 -7.508 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.065 -10.227 -6.399 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.930 -11.177 -7.631 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.578 -9.043 -9.885 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.267 -10.772 -10.166 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.994 -9.574 -10.497 1.00 0.00 H new ATOM 932 N LEU A 63 -0.512 -10.503 -11.471 1.00 0.00 N ATOM 933 CA LEU A 63 -0.362 -10.869 -12.869 1.00 0.00 C ATOM 934 C LEU A 63 0.838 -10.126 -13.460 1.00 0.00 C ATOM 935 O LEU A 63 0.781 -8.916 -13.671 1.00 0.00 O ATOM 936 CB LEU A 63 -1.669 -10.629 -13.629 1.00 0.00 C ATOM 937 CG LEU A 63 -2.565 -11.853 -13.826 1.00 0.00 C ATOM 938 CD1 LEU A 63 -3.985 -11.579 -13.326 1.00 0.00 C ATOM 939 CD2 LEU A 63 -2.549 -12.316 -15.284 1.00 0.00 C ATOM 0 H LEU A 63 -0.304 -9.527 -11.261 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.156 -11.935 -12.964 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.240 -9.867 -13.098 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.426 -10.220 -14.610 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.165 -12.670 -13.225 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.601 -12.465 -13.478 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.956 -11.335 -12.264 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.410 -10.742 -13.880 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.194 -13.187 -15.396 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.911 -11.512 -15.925 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.531 -12.579 -15.571 1.00 0.00 H new ATOM 951 N ARG A 64 1.896 -10.883 -13.711 1.00 0.00 N ATOM 952 CA ARG A 64 3.108 -10.312 -14.274 1.00 0.00 C ATOM 953 C ARG A 64 2.922 -10.036 -15.767 1.00 0.00 C ATOM 954 O ARG A 64 2.902 -10.963 -16.575 1.00 0.00 O ATOM 955 CB ARG A 64 4.301 -11.251 -14.081 1.00 0.00 C ATOM 956 CG ARG A 64 4.691 -11.346 -12.604 1.00 0.00 C ATOM 957 CD ARG A 64 3.940 -12.485 -11.911 1.00 0.00 C ATOM 958 NE ARG A 64 4.876 -13.276 -11.081 1.00 0.00 N ATOM 959 CZ ARG A 64 5.909 -13.974 -11.572 1.00 0.00 C ATOM 960 NH1 ARG A 64 6.145 -13.982 -12.891 1.00 0.00 N ATOM 961 NH2 ARG A 64 6.706 -14.663 -10.744 1.00 0.00 N ATOM 0 H ARG A 64 1.939 -11.887 -13.535 1.00 0.00 H new ATOM 0 HA ARG A 64 3.307 -9.377 -13.750 1.00 0.00 H new ATOM 0 HB2 ARG A 64 4.053 -12.243 -14.460 1.00 0.00 H new ATOM 0 HB3 ARG A 64 5.150 -10.891 -14.662 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.765 -11.508 -12.518 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.470 -10.403 -12.104 1.00 0.00 H new ATOM 0 HD2 ARG A 64 3.142 -12.080 -11.289 1.00 0.00 H new ATOM 0 HD3 ARG A 64 3.469 -13.127 -12.655 1.00 0.00 H new ATOM 0 HE ARG A 64 4.725 -13.291 -10.072 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.538 -13.457 -13.521 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.931 -14.513 -13.265 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.526 -14.656 -9.740 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.492 -15.194 -11.118 1.00 0.00 H new ATOM 975 N SER A 65 2.789 -8.758 -16.088 1.00 0.00 N ATOM 976 CA SER A 65 2.605 -8.348 -17.470 1.00 0.00 C ATOM 977 C SER A 65 3.825 -7.560 -17.949 1.00 0.00 C ATOM 978 O SER A 65 3.699 -6.412 -18.375 1.00 0.00 O ATOM 979 CB SER A 65 1.335 -7.511 -17.631 1.00 0.00 C ATOM 980 OG SER A 65 1.526 -6.163 -17.209 1.00 0.00 O ATOM 0 H SER A 65 2.805 -7.992 -15.415 1.00 0.00 H new ATOM 0 HA SER A 65 2.497 -9.244 -18.081 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.023 -7.523 -18.675 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.528 -7.961 -17.052 1.00 0.00 H new ATOM 0 HG SER A 65 2.208 -5.738 -17.770 1.00 0.00 H new ATOM 1021 N LEU A 69 4.102 -5.402 -12.559 1.00 0.00 N ATOM 1022 CA LEU A 69 3.139 -6.459 -12.301 1.00 0.00 C ATOM 1023 C LEU A 69 1.726 -5.872 -12.322 1.00 0.00 C ATOM 1024 O LEU A 69 1.554 -4.655 -12.264 1.00 0.00 O ATOM 1025 CB LEU A 69 3.481 -7.190 -11.001 1.00 0.00 C ATOM 1026 CG LEU A 69 4.967 -7.256 -10.640 1.00 0.00 C ATOM 1027 CD1 LEU A 69 5.180 -8.027 -9.336 1.00 0.00 C ATOM 1028 CD2 LEU A 69 5.786 -7.839 -11.792 1.00 0.00 C ATOM 0 HA LEU A 69 3.183 -7.214 -13.086 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.950 -6.703 -10.183 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.098 -8.208 -11.068 1.00 0.00 H new ATOM 0 HG LEU A 69 5.324 -6.240 -10.475 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.244 -8.059 -9.102 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.646 -7.529 -8.527 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.802 -9.043 -9.448 1.00 0.00 H new ATOM 0 HD21 LEU A 69 6.838 -7.875 -11.509 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.436 -8.847 -12.014 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.669 -7.212 -12.676 1.00 0.00 H new ATOM 1040 N LEU A 70 0.750 -6.764 -12.406 1.00 0.00 N ATOM 1041 CA LEU A 70 -0.642 -6.350 -12.436 1.00 0.00 C ATOM 1042 C LEU A 70 -1.375 -6.954 -11.236 1.00 0.00 C ATOM 1043 O LEU A 70 -1.050 -8.056 -10.796 1.00 0.00 O ATOM 1044 CB LEU A 70 -1.276 -6.700 -13.784 1.00 0.00 C ATOM 1045 CG LEU A 70 -2.796 -6.543 -13.871 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -3.208 -5.924 -15.208 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -3.500 -7.877 -13.615 1.00 0.00 C ATOM 0 H LEU A 70 0.896 -7.772 -12.454 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.720 -5.267 -12.345 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.821 -6.073 -14.551 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.023 -7.732 -14.025 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.114 -5.856 -13.087 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.293 -5.824 -15.244 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.749 -4.941 -15.311 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.876 -6.566 -16.024 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.579 -7.738 -13.683 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.181 -8.606 -14.360 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.243 -8.239 -12.620 1.00 0.00 H new ATOM 1059 N TYR A 71 -2.350 -6.206 -10.741 1.00 0.00 N ATOM 1060 CA TYR A 71 -3.132 -6.654 -9.601 1.00 0.00 C ATOM 1061 C TYR A 71 -4.631 -6.534 -9.883 1.00 0.00 C ATOM 1062 O TYR A 71 -5.155 -5.428 -10.016 1.00 0.00 O ATOM 1063 CB TYR A 71 -2.766 -5.720 -8.446 1.00 0.00 C ATOM 1064 CG TYR A 71 -1.262 -5.496 -8.280 1.00 0.00 C ATOM 1065 CD1 TYR A 71 -0.406 -6.577 -8.216 1.00 0.00 C ATOM 1066 CD2 TYR A 71 -0.761 -4.213 -8.194 1.00 0.00 C ATOM 1067 CE1 TYR A 71 1.010 -6.366 -8.059 1.00 0.00 C ATOM 1068 CE2 TYR A 71 0.655 -4.002 -8.038 1.00 0.00 C ATOM 1069 CZ TYR A 71 1.471 -5.089 -7.978 1.00 0.00 C ATOM 1070 OH TYR A 71 2.808 -4.889 -7.830 1.00 0.00 O ATOM 0 H TYR A 71 -2.616 -5.293 -11.108 1.00 0.00 H new ATOM 0 HA TYR A 71 -2.920 -7.699 -9.377 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -3.251 -4.757 -8.603 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -3.166 -6.131 -7.519 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.798 -7.581 -8.284 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -1.431 -3.367 -8.244 1.00 0.00 H new ATOM 0 HE1 TYR A 71 1.690 -7.203 -8.007 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.060 -3.003 -7.970 1.00 0.00 H new ATOM 0 HH TYR A 71 2.992 -3.927 -7.788 1.00 0.00 H new ATOM 1080 N ARG A 72 -5.279 -7.686 -9.967 1.00 0.00 N ATOM 1081 CA ARG A 72 -6.708 -7.724 -10.230 1.00 0.00 C ATOM 1082 C ARG A 72 -7.429 -8.515 -9.137 1.00 0.00 C ATOM 1083 O ARG A 72 -6.791 -9.060 -8.237 1.00 0.00 O ATOM 1084 CB ARG A 72 -7.000 -8.363 -11.589 1.00 0.00 C ATOM 1085 CG ARG A 72 -6.602 -9.840 -11.598 1.00 0.00 C ATOM 1086 CD ARG A 72 -7.363 -10.607 -12.681 1.00 0.00 C ATOM 1087 NE ARG A 72 -7.794 -11.923 -12.161 1.00 0.00 N ATOM 1088 CZ ARG A 72 -8.058 -12.986 -12.933 1.00 0.00 C ATOM 1089 NH1 ARG A 72 -7.936 -12.895 -14.264 1.00 0.00 N ATOM 1090 NH2 ARG A 72 -8.444 -14.141 -12.374 1.00 0.00 N ATOM 0 H ARG A 72 -4.841 -8.601 -9.858 1.00 0.00 H new ATOM 0 HA ARG A 72 -7.071 -6.696 -10.238 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.061 -8.267 -11.819 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.455 -7.831 -12.369 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -5.529 -9.930 -11.769 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.807 -10.281 -10.623 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.231 -10.032 -13.003 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.728 -10.743 -13.556 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.897 -12.028 -11.152 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -7.642 -12.016 -14.690 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -8.137 -13.705 -14.851 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -8.537 -14.211 -11.361 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.645 -14.950 -12.962 1.00 0.00 H new ATOM 1104 N ILE A 73 -8.748 -8.552 -9.250 1.00 0.00 N ATOM 1105 CA ILE A 73 -9.563 -9.267 -8.282 1.00 0.00 C ATOM 1106 C ILE A 73 -9.362 -10.772 -8.466 1.00 0.00 C ATOM 1107 O ILE A 73 -9.501 -11.290 -9.573 1.00 0.00 O ATOM 1108 CB ILE A 73 -11.024 -8.825 -8.381 1.00 0.00 C ATOM 1109 CG1 ILE A 73 -11.420 -7.967 -7.177 1.00 0.00 C ATOM 1110 CG2 ILE A 73 -11.951 -10.029 -8.555 1.00 0.00 C ATOM 1111 CD1 ILE A 73 -11.095 -8.681 -5.864 1.00 0.00 C ATOM 0 H ILE A 73 -9.273 -8.098 -9.997 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.249 -9.025 -7.267 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.133 -8.204 -9.270 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.893 -7.014 -7.217 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -12.486 -7.744 -7.220 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -12.984 -9.686 -8.623 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.686 -10.564 -9.467 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.845 -10.696 -7.699 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -11.386 -8.050 -5.025 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.642 -9.623 -5.817 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -10.025 -8.880 -5.814 1.00 0.00 H new ATOM 1123 N LYS A 74 -9.038 -11.433 -7.364 1.00 0.00 N ATOM 1124 CA LYS A 74 -8.817 -12.869 -7.390 1.00 0.00 C ATOM 1125 C LYS A 74 -10.129 -13.576 -7.736 1.00 0.00 C ATOM 1126 O LYS A 74 -11.119 -13.442 -7.018 1.00 0.00 O ATOM 1127 CB LYS A 74 -8.193 -13.339 -6.075 1.00 0.00 C ATOM 1128 CG LYS A 74 -7.384 -14.621 -6.279 1.00 0.00 C ATOM 1129 CD LYS A 74 -6.149 -14.640 -5.376 1.00 0.00 C ATOM 1130 CE LYS A 74 -5.744 -16.075 -5.031 1.00 0.00 C ATOM 1131 NZ LYS A 74 -4.967 -16.674 -6.139 1.00 0.00 N ATOM 0 H LYS A 74 -8.923 -11.000 -6.447 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.099 -13.130 -8.167 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.547 -12.557 -5.675 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.977 -13.513 -5.338 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.009 -15.488 -6.064 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.077 -14.700 -7.322 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.322 -14.135 -5.875 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.355 -14.086 -4.460 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.150 -16.082 -4.117 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -6.634 -16.674 -4.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.461 -17.518 -6.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.869 -15.981 -6.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.024 -16.944 -5.795 1.00 0.00 H new