USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=7 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= -0.0314 X(o=-0.031,f=-0.019) USER MOD Single : A 23 CYS SG : rot 55:sc= -7.12! USER MOD Single : A 24 HIS : no HD1:sc= -0.279 X(o=-0.28,f=-0.68) USER MOD Single : A 25 GLN : amide:sc= -0.793 K(o=-0.79,f=-1.8) 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= -0.169 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 GLN : amide:sc=-0.00452 X(o=-0.0045,f=0) USER MOD Single : A 37 ASN : amide:sc= -0.0913 X(o=-0.091,f=-0.48) USER MOD Single : A 39 MET CE :methyl 170:sc= -2.54! (180deg=-3.59!) USER MOD Single : A 41 HIS : no HD1:sc= -0.0371 X(o=-0.037,f=-0.52) USER MOD Single : A 45 GLN : amide:sc= -10.2! C(o=-10!,f=-15!) USER MOD Single : A 46 GLN : amide:sc= -0.0128 K(o=-0.013,f=-1.8!) USER MOD Single : A 52 ASN : amide:sc= -0.0096 X(o=-0.0096,f=-0.0017) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -172:sc= -2.3! (180deg=-2.43!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 114 N PRO A 12 -3.787 -1.284 7.994 1.00 0.00 N ATOM 115 CA PRO A 12 -3.670 -2.309 6.971 1.00 0.00 C ATOM 116 C PRO A 12 -5.021 -2.574 6.304 1.00 0.00 C ATOM 117 O PRO A 12 -5.168 -2.392 5.096 1.00 0.00 O ATOM 118 CB PRO A 12 -3.116 -3.526 7.695 1.00 0.00 C ATOM 119 CG PRO A 12 -3.380 -3.288 9.173 1.00 0.00 C ATOM 120 CD PRO A 12 -3.751 -1.824 9.350 1.00 0.00 C ATOM 0 HA PRO A 12 -3.012 -2.015 6.154 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.603 -4.439 7.353 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.049 -3.643 7.503 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.186 -3.931 9.525 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.496 -3.532 9.763 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.716 -1.717 9.844 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.018 -1.301 9.965 1.00 0.00 H new ATOM 128 N VAL A 13 -5.975 -3.000 7.120 1.00 0.00 N ATOM 129 CA VAL A 13 -7.309 -3.292 6.624 1.00 0.00 C ATOM 130 C VAL A 13 -7.711 -2.229 5.599 1.00 0.00 C ATOM 131 O VAL A 13 -8.110 -2.558 4.483 1.00 0.00 O ATOM 132 CB VAL A 13 -8.290 -3.397 7.793 1.00 0.00 C ATOM 133 CG1 VAL A 13 -8.166 -2.188 8.723 1.00 0.00 C ATOM 134 CG2 VAL A 13 -9.727 -3.556 7.290 1.00 0.00 C ATOM 0 H VAL A 13 -5.850 -3.150 8.121 1.00 0.00 H new ATOM 0 HA VAL A 13 -7.326 -4.256 6.116 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.034 -4.288 8.366 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.874 -2.288 9.546 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.152 -2.137 9.121 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -8.383 -1.277 8.166 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -10.404 -3.628 8.141 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.998 -2.692 6.683 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -9.803 -4.461 6.687 1.00 0.00 H new ATOM 144 N GLU A 14 -7.592 -0.977 6.014 1.00 0.00 N ATOM 145 CA GLU A 14 -7.938 0.136 5.147 1.00 0.00 C ATOM 146 C GLU A 14 -7.214 0.008 3.805 1.00 0.00 C ATOM 147 O GLU A 14 -7.852 -0.119 2.761 1.00 0.00 O ATOM 148 CB GLU A 14 -7.618 1.474 5.816 1.00 0.00 C ATOM 149 CG GLU A 14 -8.784 1.942 6.689 1.00 0.00 C ATOM 150 CD GLU A 14 -9.696 2.900 5.919 1.00 0.00 C ATOM 151 OE1 GLU A 14 -9.199 3.989 5.558 1.00 0.00 O ATOM 152 OE2 GLU A 14 -10.868 2.521 5.708 1.00 0.00 O ATOM 0 H GLU A 14 -7.260 -0.708 6.940 1.00 0.00 H new ATOM 0 HA GLU A 14 -9.012 0.107 4.964 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.720 1.375 6.425 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.405 2.224 5.054 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.359 1.080 7.027 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.399 2.438 7.580 1.00 0.00 H new ATOM 159 N ILE A 15 -5.891 0.045 3.876 1.00 0.00 N ATOM 160 CA ILE A 15 -5.074 -0.066 2.680 1.00 0.00 C ATOM 161 C ILE A 15 -5.634 -1.173 1.785 1.00 0.00 C ATOM 162 O ILE A 15 -5.995 -0.924 0.636 1.00 0.00 O ATOM 163 CB ILE A 15 -3.603 -0.261 3.053 1.00 0.00 C ATOM 164 CG1 ILE A 15 -3.069 0.945 3.830 1.00 0.00 C ATOM 165 CG2 ILE A 15 -2.758 -0.563 1.813 1.00 0.00 C ATOM 166 CD1 ILE A 15 -1.893 0.545 4.722 1.00 0.00 C ATOM 0 H ILE A 15 -5.365 0.150 4.744 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.113 0.859 2.105 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.530 -1.126 3.712 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.754 1.721 3.132 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.865 1.370 4.441 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.717 -0.697 2.106 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.122 -1.474 1.338 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.833 0.267 1.111 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.532 1.420 5.263 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.218 -0.213 5.434 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.089 0.143 4.106 1.00 0.00 H new ATOM 178 N GLU A 16 -5.688 -2.372 2.346 1.00 0.00 N ATOM 179 CA GLU A 16 -6.198 -3.519 1.614 1.00 0.00 C ATOM 180 C GLU A 16 -7.526 -3.169 0.939 1.00 0.00 C ATOM 181 O GLU A 16 -7.641 -3.233 -0.284 1.00 0.00 O ATOM 182 CB GLU A 16 -6.352 -4.732 2.533 1.00 0.00 C ATOM 183 CG GLU A 16 -5.104 -4.929 3.395 1.00 0.00 C ATOM 184 CD GLU A 16 -4.633 -6.384 3.353 1.00 0.00 C ATOM 185 OE1 GLU A 16 -5.207 -7.189 4.118 1.00 0.00 O ATOM 186 OE2 GLU A 16 -3.709 -6.659 2.557 1.00 0.00 O ATOM 0 H GLU A 16 -5.387 -2.574 3.299 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.477 -3.782 0.840 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.224 -4.599 3.174 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.530 -5.626 1.935 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.307 -4.275 3.042 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.320 -4.642 4.424 1.00 0.00 H new ATOM 193 N ASN A 17 -8.497 -2.808 1.766 1.00 0.00 N ATOM 194 CA ASN A 17 -9.812 -2.449 1.264 1.00 0.00 C ATOM 195 C ASN A 17 -9.657 -1.618 -0.011 1.00 0.00 C ATOM 196 O ASN A 17 -10.184 -1.983 -1.061 1.00 0.00 O ATOM 197 CB ASN A 17 -10.580 -1.608 2.286 1.00 0.00 C ATOM 198 CG ASN A 17 -11.635 -2.450 3.007 1.00 0.00 C ATOM 199 OD1 ASN A 17 -12.572 -2.959 2.414 1.00 0.00 O ATOM 200 ND2 ASN A 17 -11.431 -2.567 4.316 1.00 0.00 N ATOM 0 H ASN A 17 -8.399 -2.757 2.780 1.00 0.00 H new ATOM 0 HA ASN A 17 -10.361 -3.370 1.068 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.885 -1.189 3.013 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -11.061 -0.768 1.784 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.080 -3.109 4.887 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.626 -2.115 4.749 1.00 0.00 H new ATOM 207 N ARG A 18 -8.933 -0.517 0.122 1.00 0.00 N ATOM 208 CA ARG A 18 -8.702 0.368 -1.007 1.00 0.00 C ATOM 209 C ARG A 18 -8.377 -0.445 -2.261 1.00 0.00 C ATOM 210 O ARG A 18 -8.991 -0.249 -3.309 1.00 0.00 O ATOM 211 CB ARG A 18 -7.552 1.336 -0.722 1.00 0.00 C ATOM 212 CG ARG A 18 -8.028 2.789 -0.789 1.00 0.00 C ATOM 213 CD ARG A 18 -8.719 3.078 -2.123 1.00 0.00 C ATOM 214 NE ARG A 18 -8.649 4.525 -2.426 1.00 0.00 N ATOM 215 CZ ARG A 18 -9.478 5.442 -1.907 1.00 0.00 C ATOM 216 NH1 ARG A 18 -10.444 5.067 -1.058 1.00 0.00 N ATOM 217 NH2 ARG A 18 -9.341 6.733 -2.239 1.00 0.00 N ATOM 0 H ARG A 18 -8.498 -0.217 0.995 1.00 0.00 H new ATOM 0 HA ARG A 18 -9.614 0.943 -1.169 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.136 1.131 0.264 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.752 1.178 -1.445 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.717 2.988 0.032 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.178 3.460 -0.662 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.242 2.508 -2.920 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.760 2.757 -2.080 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.925 4.844 -3.070 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.549 4.084 -0.807 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -11.075 5.764 -0.663 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.606 7.018 -2.886 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.972 7.431 -1.844 1.00 0.00 H new ATOM 231 N ILE A 19 -7.411 -1.340 -2.114 1.00 0.00 N ATOM 232 CA ILE A 19 -6.997 -2.184 -3.222 1.00 0.00 C ATOM 233 C ILE A 19 -8.207 -2.958 -3.748 1.00 0.00 C ATOM 234 O ILE A 19 -8.430 -3.024 -4.956 1.00 0.00 O ATOM 235 CB ILE A 19 -5.828 -3.078 -2.806 1.00 0.00 C ATOM 236 CG1 ILE A 19 -4.582 -2.245 -2.497 1.00 0.00 C ATOM 237 CG2 ILE A 19 -5.553 -4.149 -3.864 1.00 0.00 C ATOM 238 CD1 ILE A 19 -3.637 -2.998 -1.558 1.00 0.00 C ATOM 0 H ILE A 19 -6.903 -1.499 -1.244 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.625 -1.576 -4.046 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.105 -3.596 -1.888 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.063 -2.004 -3.424 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.876 -1.300 -2.041 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.717 -4.771 -3.543 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.439 -4.770 -3.992 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.306 -3.670 -4.811 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.760 -2.383 -1.355 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.152 -3.216 -0.622 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.325 -3.931 -2.027 1.00 0.00 H new ATOM 250 N ILE A 20 -8.958 -3.526 -2.815 1.00 0.00 N ATOM 251 CA ILE A 20 -10.139 -4.293 -3.169 1.00 0.00 C ATOM 252 C ILE A 20 -11.020 -3.463 -4.105 1.00 0.00 C ATOM 253 O ILE A 20 -11.300 -3.877 -5.229 1.00 0.00 O ATOM 254 CB ILE A 20 -10.863 -4.774 -1.910 1.00 0.00 C ATOM 255 CG1 ILE A 20 -9.907 -5.522 -0.979 1.00 0.00 C ATOM 256 CG2 ILE A 20 -12.089 -5.616 -2.270 1.00 0.00 C ATOM 257 CD1 ILE A 20 -9.005 -6.473 -1.769 1.00 0.00 C ATOM 0 H ILE A 20 -8.771 -3.470 -1.814 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.858 -5.195 -3.712 1.00 0.00 H new ATOM 0 HB ILE A 20 -11.221 -3.899 -1.367 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -9.295 -4.807 -0.429 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -10.478 -6.086 -0.241 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -12.585 -5.945 -1.357 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -12.780 -5.017 -2.863 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -11.776 -6.486 -2.847 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.335 -6.992 -1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.619 -7.202 -2.298 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.417 -5.903 -2.489 1.00 0.00 H new ATOM 269 N GLU A 21 -11.431 -2.306 -3.607 1.00 0.00 N ATOM 270 CA GLU A 21 -12.274 -1.414 -4.385 1.00 0.00 C ATOM 271 C GLU A 21 -11.678 -1.202 -5.779 1.00 0.00 C ATOM 272 O GLU A 21 -12.410 -1.099 -6.762 1.00 0.00 O ATOM 273 CB GLU A 21 -12.471 -0.078 -3.665 1.00 0.00 C ATOM 274 CG GLU A 21 -13.779 -0.072 -2.870 1.00 0.00 C ATOM 275 CD GLU A 21 -14.492 1.275 -2.999 1.00 0.00 C ATOM 276 OE1 GLU A 21 -14.588 1.759 -4.147 1.00 0.00 O ATOM 277 OE2 GLU A 21 -14.924 1.791 -1.946 1.00 0.00 O ATOM 0 H GLU A 21 -11.196 -1.966 -2.675 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.254 -1.878 -4.496 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.632 0.105 -2.993 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -12.480 0.734 -4.392 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -14.431 -0.868 -3.229 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.572 -0.279 -1.820 1.00 0.00 H new ATOM 284 N LEU A 22 -10.355 -1.142 -5.819 1.00 0.00 N ATOM 285 CA LEU A 22 -9.653 -0.944 -7.076 1.00 0.00 C ATOM 286 C LEU A 22 -9.720 -2.231 -7.901 1.00 0.00 C ATOM 287 O LEU A 22 -10.160 -2.214 -9.049 1.00 0.00 O ATOM 288 CB LEU A 22 -8.227 -0.451 -6.821 1.00 0.00 C ATOM 289 CG LEU A 22 -7.969 1.030 -7.106 1.00 0.00 C ATOM 290 CD1 LEU A 22 -7.123 1.662 -5.999 1.00 0.00 C ATOM 291 CD2 LEU A 22 -7.339 1.221 -8.488 1.00 0.00 C ATOM 0 H LEU A 22 -9.751 -1.227 -5.002 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.136 -0.163 -7.663 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.976 -0.649 -5.779 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.545 -1.042 -7.431 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.928 1.548 -7.114 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.954 2.715 -6.226 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.646 1.576 -5.047 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.165 1.147 -5.934 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.166 2.282 -8.665 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -6.390 0.686 -8.532 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.012 0.830 -9.252 1.00 0.00 H new ATOM 303 N CYS A 23 -9.277 -3.316 -7.283 1.00 0.00 N ATOM 304 CA CYS A 23 -9.282 -4.609 -7.945 1.00 0.00 C ATOM 305 C CYS A 23 -10.671 -4.838 -8.543 1.00 0.00 C ATOM 306 O CYS A 23 -10.810 -5.518 -9.558 1.00 0.00 O ATOM 307 CB CYS A 23 -8.878 -5.735 -6.991 1.00 0.00 C ATOM 308 SG CYS A 23 -7.244 -5.373 -6.252 1.00 0.00 S ATOM 0 H CYS A 23 -8.912 -3.326 -6.331 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.539 -4.614 -8.743 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.626 -5.843 -6.205 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.841 -6.683 -7.528 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.274 -4.204 -5.685 1.00 0.00 H new ATOM 314 N HIS A 24 -11.665 -4.256 -7.888 1.00 0.00 N ATOM 315 CA HIS A 24 -13.039 -4.388 -8.342 1.00 0.00 C ATOM 316 C HIS A 24 -13.283 -3.444 -9.520 1.00 0.00 C ATOM 317 O HIS A 24 -13.904 -3.828 -10.510 1.00 0.00 O ATOM 318 CB HIS A 24 -14.017 -4.161 -7.187 1.00 0.00 C ATOM 319 CG HIS A 24 -14.560 -5.433 -6.582 1.00 0.00 C ATOM 320 ND1 HIS A 24 -15.007 -6.496 -7.348 1.00 0.00 N ATOM 321 CD2 HIS A 24 -14.723 -5.802 -5.279 1.00 0.00 C ATOM 322 CE1 HIS A 24 -15.418 -7.456 -6.532 1.00 0.00 C ATOM 323 NE2 HIS A 24 -15.242 -7.024 -5.251 1.00 0.00 N ATOM 0 H HIS A 24 -11.546 -3.692 -7.047 1.00 0.00 H new ATOM 0 HA HIS A 24 -13.213 -5.405 -8.694 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -13.516 -3.586 -6.408 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -14.851 -3.556 -7.544 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -14.472 -5.202 -4.417 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -15.822 -8.413 -6.830 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -15.471 -7.553 -4.409 1.00 0.00 H new ATOM 331 N GLN A 25 -12.783 -2.226 -9.375 1.00 0.00 N ATOM 332 CA GLN A 25 -12.938 -1.223 -10.415 1.00 0.00 C ATOM 333 C GLN A 25 -12.241 -1.677 -11.698 1.00 0.00 C ATOM 334 O GLN A 25 -12.703 -1.381 -12.799 1.00 0.00 O ATOM 335 CB GLN A 25 -12.406 0.134 -9.952 1.00 0.00 C ATOM 336 CG GLN A 25 -13.544 1.030 -9.458 1.00 0.00 C ATOM 337 CD GLN A 25 -14.634 1.169 -10.522 1.00 0.00 C ATOM 338 OE1 GLN A 25 -14.405 0.996 -11.708 1.00 0.00 O ATOM 339 NE2 GLN A 25 -15.829 1.490 -10.034 1.00 0.00 N ATOM 0 H GLN A 25 -12.270 -1.911 -8.552 1.00 0.00 H new ATOM 0 HA GLN A 25 -14.001 -1.106 -10.624 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.679 -0.010 -9.153 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.884 0.623 -10.774 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -13.972 0.612 -8.547 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -13.152 2.015 -9.203 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -15.952 1.620 -9.030 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -16.623 1.606 -10.664 1.00 0.00 H new ATOM 348 N PHE A 26 -11.139 -2.389 -11.515 1.00 0.00 N ATOM 349 CA PHE A 26 -10.373 -2.887 -12.645 1.00 0.00 C ATOM 350 C PHE A 26 -10.297 -4.415 -12.625 1.00 0.00 C ATOM 351 O PHE A 26 -9.580 -4.994 -11.810 1.00 0.00 O ATOM 352 CB PHE A 26 -8.959 -2.317 -12.513 1.00 0.00 C ATOM 353 CG PHE A 26 -8.906 -0.788 -12.482 1.00 0.00 C ATOM 354 CD1 PHE A 26 -9.157 -0.122 -11.323 1.00 0.00 C ATOM 355 CD2 PHE A 26 -8.607 -0.094 -13.613 1.00 0.00 C ATOM 356 CE1 PHE A 26 -9.108 1.297 -11.294 1.00 0.00 C ATOM 357 CE2 PHE A 26 -8.558 1.324 -13.584 1.00 0.00 C ATOM 358 CZ PHE A 26 -8.809 1.990 -12.425 1.00 0.00 C ATOM 0 H PHE A 26 -10.758 -2.633 -10.601 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.848 -2.585 -13.578 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.505 -2.705 -11.601 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.355 -2.675 -13.347 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -9.394 -0.672 -10.424 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -8.407 -0.622 -14.533 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -9.308 1.826 -10.374 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -8.321 1.874 -14.483 1.00 0.00 H new ATOM 0 HZ PHE A 26 -8.771 3.069 -12.403 1.00 0.00 H new ATOM 368 N PRO A 27 -11.065 -5.041 -13.556 1.00 0.00 N ATOM 369 CA PRO A 27 -11.092 -6.491 -13.653 1.00 0.00 C ATOM 370 C PRO A 27 -9.812 -7.020 -14.303 1.00 0.00 C ATOM 371 O PRO A 27 -9.392 -8.144 -14.031 1.00 0.00 O ATOM 372 CB PRO A 27 -12.342 -6.808 -14.458 1.00 0.00 C ATOM 373 CG PRO A 27 -12.714 -5.521 -15.174 1.00 0.00 C ATOM 374 CD PRO A 27 -11.926 -4.388 -14.538 1.00 0.00 C ATOM 0 HA PRO A 27 -11.128 -6.978 -12.678 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.154 -7.611 -15.171 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.151 -7.141 -13.808 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.484 -5.596 -16.237 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.785 -5.334 -15.092 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.340 -3.847 -15.281 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.588 -3.663 -14.064 1.00 0.00 H new ATOM 382 N HIS A 28 -9.227 -6.185 -15.150 1.00 0.00 N ATOM 383 CA HIS A 28 -8.004 -6.555 -15.841 1.00 0.00 C ATOM 384 C HIS A 28 -6.834 -6.547 -14.854 1.00 0.00 C ATOM 385 O HIS A 28 -5.938 -7.385 -14.941 1.00 0.00 O ATOM 386 CB HIS A 28 -7.766 -5.647 -17.049 1.00 0.00 C ATOM 387 CG HIS A 28 -8.929 -5.587 -18.010 1.00 0.00 C ATOM 388 ND1 HIS A 28 -9.182 -6.576 -18.944 1.00 0.00 N ATOM 389 CD2 HIS A 28 -9.904 -4.647 -18.172 1.00 0.00 C ATOM 390 CE1 HIS A 28 -10.262 -6.237 -19.632 1.00 0.00 C ATOM 391 NE2 HIS A 28 -10.708 -5.040 -19.152 1.00 0.00 N ATOM 0 H HIS A 28 -9.578 -5.254 -15.373 1.00 0.00 H new ATOM 0 HA HIS A 28 -8.097 -7.568 -16.234 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -7.547 -4.639 -16.696 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -6.883 -5.996 -17.584 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -10.005 -3.737 -17.600 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -10.711 -6.807 -20.432 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -11.525 -4.531 -19.491 1.00 0.00 H new ATOM 399 N GLY A 29 -6.881 -5.591 -13.938 1.00 0.00 N ATOM 400 CA GLY A 29 -5.837 -5.463 -12.936 1.00 0.00 C ATOM 401 C GLY A 29 -5.347 -4.017 -12.836 1.00 0.00 C ATOM 402 O GLY A 29 -5.708 -3.177 -13.660 1.00 0.00 O ATOM 0 H GLY A 29 -7.626 -4.898 -13.869 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.215 -5.790 -11.968 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.003 -6.117 -13.190 1.00 0.00 H new ATOM 406 N ILE A 30 -4.534 -3.770 -11.820 1.00 0.00 N ATOM 407 CA ILE A 30 -3.991 -2.440 -11.602 1.00 0.00 C ATOM 408 C ILE A 30 -2.466 -2.526 -11.503 1.00 0.00 C ATOM 409 O ILE A 30 -1.905 -3.619 -11.454 1.00 0.00 O ATOM 410 CB ILE A 30 -4.650 -1.784 -10.387 1.00 0.00 C ATOM 411 CG1 ILE A 30 -4.337 -2.562 -9.107 1.00 0.00 C ATOM 412 CG2 ILE A 30 -6.156 -1.619 -10.603 1.00 0.00 C ATOM 413 CD1 ILE A 30 -5.032 -1.932 -7.899 1.00 0.00 C ATOM 0 H ILE A 30 -4.238 -4.469 -11.138 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.220 -1.792 -12.448 1.00 0.00 H new ATOM 0 HB ILE A 30 -4.230 -0.785 -10.268 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.660 -3.597 -9.218 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -3.260 -2.580 -8.943 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -6.600 -1.150 -9.725 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.332 -0.992 -11.477 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.610 -2.597 -10.761 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.793 -2.504 -7.003 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.688 -0.905 -7.776 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.111 -1.937 -8.056 1.00 0.00 H new ATOM 425 N THR A 31 -1.840 -1.358 -11.476 1.00 0.00 N ATOM 426 CA THR A 31 -0.392 -1.288 -11.383 1.00 0.00 C ATOM 427 C THR A 31 0.025 -0.333 -10.262 1.00 0.00 C ATOM 428 O THR A 31 -0.692 0.617 -9.953 1.00 0.00 O ATOM 429 CB THR A 31 0.151 -0.886 -12.756 1.00 0.00 C ATOM 430 OG1 THR A 31 -0.597 0.278 -13.098 1.00 0.00 O ATOM 431 CG2 THR A 31 -0.212 -1.896 -13.847 1.00 0.00 C ATOM 0 H THR A 31 -2.309 -0.453 -11.517 1.00 0.00 H new ATOM 0 HA THR A 31 0.034 -2.256 -11.119 1.00 0.00 H new ATOM 0 HB THR A 31 1.235 -0.783 -12.702 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.308 0.607 -13.975 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.197 -1.564 -14.801 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.205 -2.871 -13.593 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.296 -1.974 -13.925 1.00 0.00 H new ATOM 439 N ASP A 32 1.182 -0.620 -9.684 1.00 0.00 N ATOM 440 CA ASP A 32 1.703 0.201 -8.604 1.00 0.00 C ATOM 441 C ASP A 32 1.442 1.675 -8.919 1.00 0.00 C ATOM 442 O ASP A 32 1.167 2.467 -8.018 1.00 0.00 O ATOM 443 CB ASP A 32 3.213 0.011 -8.447 1.00 0.00 C ATOM 444 CG ASP A 32 4.070 0.785 -9.450 1.00 0.00 C ATOM 445 OD1 ASP A 32 4.301 1.986 -9.191 1.00 0.00 O ATOM 446 OD2 ASP A 32 4.474 0.159 -10.454 1.00 0.00 O ATOM 0 H ASP A 32 1.773 -1.410 -9.943 1.00 0.00 H new ATOM 0 HA ASP A 32 1.204 -0.098 -7.682 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.499 0.312 -7.439 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.442 -1.051 -8.540 1.00 0.00 H new ATOM 451 N GLN A 33 1.536 2.000 -10.200 1.00 0.00 N ATOM 452 CA GLN A 33 1.314 3.365 -10.644 1.00 0.00 C ATOM 453 C GLN A 33 -0.101 3.818 -10.280 1.00 0.00 C ATOM 454 O GLN A 33 -0.279 4.845 -9.627 1.00 0.00 O ATOM 455 CB GLN A 33 1.563 3.500 -12.148 1.00 0.00 C ATOM 456 CG GLN A 33 2.872 4.242 -12.423 1.00 0.00 C ATOM 457 CD GLN A 33 2.944 4.705 -13.880 1.00 0.00 C ATOM 458 OE1 GLN A 33 3.405 3.999 -14.761 1.00 0.00 O ATOM 459 NE2 GLN A 33 2.464 5.929 -14.082 1.00 0.00 N ATOM 0 H GLN A 33 1.763 1.341 -10.945 1.00 0.00 H new ATOM 0 HA GLN A 33 2.025 4.013 -10.132 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.599 2.511 -12.604 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.734 4.035 -12.611 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.952 5.103 -11.760 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.717 3.590 -12.203 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.092 6.467 -13.299 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.468 6.330 -15.020 1.00 0.00 H new ATOM 468 N VAL A 34 -1.072 3.029 -10.718 1.00 0.00 N ATOM 469 CA VAL A 34 -2.466 3.336 -10.446 1.00 0.00 C ATOM 470 C VAL A 34 -2.632 3.658 -8.959 1.00 0.00 C ATOM 471 O VAL A 34 -2.953 4.789 -8.597 1.00 0.00 O ATOM 472 CB VAL A 34 -3.356 2.182 -10.910 1.00 0.00 C ATOM 473 CG1 VAL A 34 -4.771 2.319 -10.344 1.00 0.00 C ATOM 474 CG2 VAL A 34 -3.383 2.091 -12.437 1.00 0.00 C ATOM 0 H VAL A 34 -0.921 2.178 -11.259 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.780 4.217 -11.007 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.930 1.255 -10.526 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.383 1.486 -10.689 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.729 2.312 -9.255 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.210 3.257 -10.684 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.023 1.262 -12.741 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.773 3.021 -12.850 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.372 1.924 -12.809 1.00 0.00 H new ATOM 484 N ILE A 35 -2.406 2.644 -8.138 1.00 0.00 N ATOM 485 CA ILE A 35 -2.527 2.805 -6.699 1.00 0.00 C ATOM 486 C ILE A 35 -1.780 4.068 -6.267 1.00 0.00 C ATOM 487 O ILE A 35 -2.097 4.658 -5.235 1.00 0.00 O ATOM 488 CB ILE A 35 -2.061 1.539 -5.977 1.00 0.00 C ATOM 489 CG1 ILE A 35 -2.869 0.321 -6.430 1.00 0.00 C ATOM 490 CG2 ILE A 35 -2.106 1.725 -4.459 1.00 0.00 C ATOM 491 CD1 ILE A 35 -1.946 -0.843 -6.800 1.00 0.00 C ATOM 0 H ILE A 35 -2.140 1.707 -8.442 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.571 2.939 -6.418 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.021 1.354 -6.247 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.547 0.013 -5.634 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.486 0.588 -7.288 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -1.770 0.811 -3.970 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.453 2.550 -4.174 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.127 1.947 -4.150 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.546 -1.696 -7.118 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.286 -0.540 -7.613 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.348 -1.123 -5.933 1.00 0.00 H new ATOM 503 N GLN A 36 -0.804 4.447 -7.078 1.00 0.00 N ATOM 504 CA GLN A 36 -0.010 5.630 -6.793 1.00 0.00 C ATOM 505 C GLN A 36 -0.836 6.895 -7.037 1.00 0.00 C ATOM 506 O GLN A 36 -0.950 7.746 -6.156 1.00 0.00 O ATOM 507 CB GLN A 36 1.273 5.644 -7.626 1.00 0.00 C ATOM 508 CG GLN A 36 2.471 6.082 -6.782 1.00 0.00 C ATOM 509 CD GLN A 36 3.788 5.762 -7.491 1.00 0.00 C ATOM 510 OE1 GLN A 36 4.213 4.622 -7.582 1.00 0.00 O ATOM 511 NE2 GLN A 36 4.409 6.828 -7.986 1.00 0.00 N ATOM 0 H GLN A 36 -0.545 3.955 -7.933 1.00 0.00 H new ATOM 0 HA GLN A 36 0.279 5.605 -5.742 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.456 4.650 -8.035 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.154 6.320 -8.473 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.410 7.153 -6.586 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.443 5.579 -5.815 1.00 0.00 H new ATOM 0 HE21 GLN A 36 3.998 7.755 -7.875 1.00 0.00 H new ATOM 0 HE22 GLN A 36 5.296 6.719 -8.477 1.00 0.00 H new ATOM 520 N ASN A 37 -1.391 6.978 -8.237 1.00 0.00 N ATOM 521 CA ASN A 37 -2.203 8.125 -8.608 1.00 0.00 C ATOM 522 C ASN A 37 -3.509 8.098 -7.812 1.00 0.00 C ATOM 523 O ASN A 37 -4.127 9.139 -7.590 1.00 0.00 O ATOM 524 CB ASN A 37 -2.556 8.092 -10.096 1.00 0.00 C ATOM 525 CG ASN A 37 -1.959 9.295 -10.828 1.00 0.00 C ATOM 526 OD1 ASN A 37 -1.926 10.406 -10.325 1.00 0.00 O ATOM 527 ND2 ASN A 37 -1.491 9.013 -12.041 1.00 0.00 N ATOM 0 H ASN A 37 -1.295 6.270 -8.965 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.630 9.027 -8.393 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.184 7.169 -10.541 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.639 8.089 -10.216 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.073 9.749 -12.610 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.550 8.061 -12.402 1.00 0.00 H new ATOM 534 N GLU A 38 -3.892 6.897 -7.403 1.00 0.00 N ATOM 535 CA GLU A 38 -5.113 6.721 -6.636 1.00 0.00 C ATOM 536 C GLU A 38 -4.854 6.997 -5.153 1.00 0.00 C ATOM 537 O GLU A 38 -5.611 7.723 -4.511 1.00 0.00 O ATOM 538 CB GLU A 38 -5.692 5.320 -6.840 1.00 0.00 C ATOM 539 CG GLU A 38 -6.134 5.115 -8.290 1.00 0.00 C ATOM 540 CD GLU A 38 -6.974 6.297 -8.779 1.00 0.00 C ATOM 541 OE1 GLU A 38 -7.869 6.713 -8.012 1.00 0.00 O ATOM 542 OE2 GLU A 38 -6.701 6.758 -9.908 1.00 0.00 O ATOM 0 H GLU A 38 -3.378 6.036 -7.589 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.850 7.439 -6.995 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.945 4.572 -6.575 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.541 5.173 -6.173 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.258 4.998 -8.928 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.713 4.195 -8.371 1.00 0.00 H new ATOM 549 N MET A 39 -3.780 6.403 -4.653 1.00 0.00 N ATOM 550 CA MET A 39 -3.411 6.576 -3.258 1.00 0.00 C ATOM 551 C MET A 39 -1.910 6.837 -3.116 1.00 0.00 C ATOM 552 O MET A 39 -1.172 5.984 -2.625 1.00 0.00 O ATOM 553 CB MET A 39 -3.788 5.319 -2.471 1.00 0.00 C ATOM 554 CG MET A 39 -5.260 4.960 -2.682 1.00 0.00 C ATOM 555 SD MET A 39 -5.397 3.315 -3.361 1.00 0.00 S ATOM 556 CE MET A 39 -4.681 2.369 -2.027 1.00 0.00 C ATOM 0 H MET A 39 -3.154 5.802 -5.189 1.00 0.00 H new ATOM 0 HA MET A 39 -3.949 7.438 -2.863 1.00 0.00 H new ATOM 0 HB2 MET A 39 -3.158 4.487 -2.785 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.598 5.480 -1.410 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.796 5.017 -1.735 1.00 0.00 H new ATOM 0 HG3 MET A 39 -5.725 5.680 -3.355 1.00 0.00 H new ATOM 0 HE1 MET A 39 -4.847 1.306 -2.205 1.00 0.00 H new ATOM 0 HE2 MET A 39 -3.610 2.566 -1.975 1.00 0.00 H new ATOM 0 HE3 MET A 39 -5.148 2.657 -1.085 1.00 0.00 H new ATOM 566 N PRO A 40 -1.493 8.050 -3.567 1.00 0.00 N ATOM 567 CA PRO A 40 -0.093 8.434 -3.495 1.00 0.00 C ATOM 568 C PRO A 40 0.304 8.791 -2.062 1.00 0.00 C ATOM 569 O PRO A 40 1.479 9.019 -1.778 1.00 0.00 O ATOM 570 CB PRO A 40 0.044 9.602 -4.458 1.00 0.00 C ATOM 571 CG PRO A 40 -1.365 10.126 -4.682 1.00 0.00 C ATOM 572 CD PRO A 40 -2.339 9.084 -4.155 1.00 0.00 C ATOM 0 HA PRO A 40 0.581 7.624 -3.774 1.00 0.00 H new ATOM 0 HB2 PRO A 40 0.687 10.377 -4.042 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.496 9.283 -5.397 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.506 11.076 -4.166 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.540 10.310 -5.742 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.014 9.512 -3.414 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.959 8.681 -4.956 1.00 0.00 H new ATOM 580 N HIS A 41 -0.698 8.830 -1.196 1.00 0.00 N ATOM 581 CA HIS A 41 -0.468 9.155 0.202 1.00 0.00 C ATOM 582 C HIS A 41 0.029 7.913 0.943 1.00 0.00 C ATOM 583 O HIS A 41 0.584 8.018 2.036 1.00 0.00 O ATOM 584 CB HIS A 41 -1.723 9.760 0.832 1.00 0.00 C ATOM 585 CG HIS A 41 -2.925 8.845 0.808 1.00 0.00 C ATOM 586 ND1 HIS A 41 -3.812 8.802 -0.253 1.00 0.00 N ATOM 587 CD2 HIS A 41 -3.375 7.941 1.724 1.00 0.00 C ATOM 588 CE1 HIS A 41 -4.750 7.908 0.023 1.00 0.00 C ATOM 589 NE2 HIS A 41 -4.478 7.376 1.249 1.00 0.00 N ATOM 0 H HIS A 41 -1.672 8.642 -1.435 1.00 0.00 H new ATOM 0 HA HIS A 41 0.309 9.915 0.279 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -1.505 10.029 1.865 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -1.971 10.683 0.308 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -2.912 7.722 2.675 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -5.584 7.646 -0.612 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -5.031 6.662 1.723 1.00 0.00 H new ATOM 597 N ILE A 42 -0.189 6.764 0.319 1.00 0.00 N ATOM 598 CA ILE A 42 0.229 5.503 0.907 1.00 0.00 C ATOM 599 C ILE A 42 1.756 5.411 0.873 1.00 0.00 C ATOM 600 O ILE A 42 2.410 6.147 0.136 1.00 0.00 O ATOM 601 CB ILE A 42 -0.472 4.331 0.216 1.00 0.00 C ATOM 602 CG1 ILE A 42 -1.990 4.524 0.217 1.00 0.00 C ATOM 603 CG2 ILE A 42 -0.063 2.999 0.846 1.00 0.00 C ATOM 604 CD1 ILE A 42 -2.617 3.934 1.482 1.00 0.00 C ATOM 0 H ILE A 42 -0.649 6.680 -0.587 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.071 5.453 1.954 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.151 4.306 -0.825 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.225 5.586 0.152 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.421 4.047 -0.663 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.575 2.183 0.336 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.015 2.867 0.750 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.336 2.996 1.901 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.696 4.085 1.457 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.401 2.867 1.532 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.201 4.430 2.359 1.00 0.00 H new ATOM 616 N GLU A 43 2.280 4.501 1.681 1.00 0.00 N ATOM 617 CA GLU A 43 3.718 4.303 1.753 1.00 0.00 C ATOM 618 C GLU A 43 4.145 3.165 0.823 1.00 0.00 C ATOM 619 O GLU A 43 3.306 2.405 0.341 1.00 0.00 O ATOM 620 CB GLU A 43 4.163 4.032 3.191 1.00 0.00 C ATOM 621 CG GLU A 43 4.035 5.291 4.051 1.00 0.00 C ATOM 622 CD GLU A 43 4.928 5.202 5.291 1.00 0.00 C ATOM 623 OE1 GLU A 43 4.899 4.131 5.935 1.00 0.00 O ATOM 624 OE2 GLU A 43 5.619 6.206 5.566 1.00 0.00 O ATOM 0 H GLU A 43 1.735 3.893 2.291 1.00 0.00 H new ATOM 0 HA GLU A 43 4.208 5.219 1.423 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.558 3.232 3.618 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.197 3.687 3.197 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.310 6.167 3.463 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.997 5.424 4.355 1.00 0.00 H new ATOM 631 N ALA A 44 5.448 3.083 0.600 1.00 0.00 N ATOM 632 CA ALA A 44 5.996 2.051 -0.263 1.00 0.00 C ATOM 633 C ALA A 44 5.661 0.676 0.318 1.00 0.00 C ATOM 634 O ALA A 44 5.057 -0.156 -0.356 1.00 0.00 O ATOM 635 CB ALA A 44 7.503 2.265 -0.422 1.00 0.00 C ATOM 0 H ALA A 44 6.141 3.715 1.002 1.00 0.00 H new ATOM 0 HA ALA A 44 5.552 2.106 -1.257 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.914 1.491 -1.070 1.00 0.00 H new ATOM 0 HB2 ALA A 44 7.687 3.244 -0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.983 2.213 0.555 1.00 0.00 H new ATOM 641 N GLN A 45 6.069 0.480 1.563 1.00 0.00 N ATOM 642 CA GLN A 45 5.820 -0.780 2.243 1.00 0.00 C ATOM 643 C GLN A 45 4.316 -0.993 2.432 1.00 0.00 C ATOM 644 O GLN A 45 3.790 -2.055 2.102 1.00 0.00 O ATOM 645 CB GLN A 45 6.554 -0.835 3.584 1.00 0.00 C ATOM 646 CG GLN A 45 7.408 -2.100 3.691 1.00 0.00 C ATOM 647 CD GLN A 45 6.665 -3.312 3.123 1.00 0.00 C ATOM 648 OE1 GLN A 45 5.450 -3.409 3.177 1.00 0.00 O ATOM 649 NE2 GLN A 45 7.461 -4.228 2.579 1.00 0.00 N ATOM 0 H GLN A 45 6.570 1.173 2.119 1.00 0.00 H new ATOM 0 HA GLN A 45 6.207 -1.588 1.622 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.187 0.046 3.692 1.00 0.00 H new ATOM 0 HB3 GLN A 45 5.831 -0.810 4.399 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.345 -1.958 3.152 1.00 0.00 H new ATOM 0 HG3 GLN A 45 7.665 -2.283 4.734 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.471 -4.084 2.567 1.00 0.00 H new ATOM 0 HE22 GLN A 45 7.062 -5.075 2.174 1.00 0.00 H new ATOM 658 N GLN A 46 3.668 0.033 2.962 1.00 0.00 N ATOM 659 CA GLN A 46 2.236 -0.028 3.199 1.00 0.00 C ATOM 660 C GLN A 46 1.507 -0.480 1.932 1.00 0.00 C ATOM 661 O GLN A 46 0.489 -1.167 2.008 1.00 0.00 O ATOM 662 CB GLN A 46 1.702 1.321 3.686 1.00 0.00 C ATOM 663 CG GLN A 46 2.282 1.677 5.056 1.00 0.00 C ATOM 664 CD GLN A 46 1.399 1.137 6.183 1.00 0.00 C ATOM 665 OE1 GLN A 46 1.079 -0.039 6.246 1.00 0.00 O ATOM 666 NE2 GLN A 46 1.024 2.058 7.066 1.00 0.00 N ATOM 0 H GLN A 46 4.108 0.912 3.234 1.00 0.00 H new ATOM 0 HA GLN A 46 2.049 -0.761 3.984 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.957 2.099 2.966 1.00 0.00 H new ATOM 0 HB3 GLN A 46 0.614 1.286 3.745 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.287 1.265 5.148 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.372 2.760 5.147 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.328 3.025 6.954 1.00 0.00 H new ATOM 0 HE22 GLN A 46 0.433 1.797 7.855 1.00 0.00 H new ATOM 675 N ARG A 47 2.057 -0.077 0.796 1.00 0.00 N ATOM 676 CA ARG A 47 1.472 -0.432 -0.486 1.00 0.00 C ATOM 677 C ARG A 47 1.765 -1.897 -0.816 1.00 0.00 C ATOM 678 O ARG A 47 0.950 -2.571 -1.444 1.00 0.00 O ATOM 679 CB ARG A 47 2.019 0.455 -1.606 1.00 0.00 C ATOM 680 CG ARG A 47 0.983 1.495 -2.038 1.00 0.00 C ATOM 681 CD ARG A 47 1.371 2.133 -3.373 1.00 0.00 C ATOM 682 NE ARG A 47 2.694 2.785 -3.257 1.00 0.00 N ATOM 683 CZ ARG A 47 2.881 4.031 -2.799 1.00 0.00 C ATOM 684 NH1 ARG A 47 1.830 4.766 -2.410 1.00 0.00 N ATOM 685 NH2 ARG A 47 4.118 4.541 -2.728 1.00 0.00 N ATOM 0 H ARG A 47 2.901 0.492 0.737 1.00 0.00 H new ATOM 0 HA ARG A 47 0.395 -0.281 -0.412 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.925 0.958 -1.267 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.298 -0.162 -2.460 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.004 1.023 -2.127 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.897 2.267 -1.273 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.398 1.373 -4.154 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.620 2.866 -3.667 1.00 0.00 H new ATOM 0 HE ARG A 47 3.516 2.253 -3.544 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.888 4.377 -2.462 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.972 5.714 -2.061 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.918 3.981 -3.023 1.00 0.00 H new ATOM 0 HH22 ARG A 47 4.260 5.489 -2.379 1.00 0.00 H new ATOM 699 N ALA A 48 2.931 -2.347 -0.377 1.00 0.00 N ATOM 700 CA ALA A 48 3.342 -3.720 -0.617 1.00 0.00 C ATOM 701 C ALA A 48 2.652 -4.639 0.393 1.00 0.00 C ATOM 702 O ALA A 48 1.970 -5.588 0.009 1.00 0.00 O ATOM 703 CB ALA A 48 4.868 -3.817 -0.546 1.00 0.00 C ATOM 0 H ALA A 48 3.604 -1.785 0.144 1.00 0.00 H new ATOM 0 HA ALA A 48 3.041 -4.041 -1.614 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.176 -4.847 -0.726 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.309 -3.169 -1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.207 -3.504 0.442 1.00 0.00 H new ATOM 709 N VAL A 49 2.854 -4.325 1.664 1.00 0.00 N ATOM 710 CA VAL A 49 2.259 -5.110 2.732 1.00 0.00 C ATOM 711 C VAL A 49 0.834 -5.502 2.338 1.00 0.00 C ATOM 712 O VAL A 49 0.548 -6.678 2.118 1.00 0.00 O ATOM 713 CB VAL A 49 2.324 -4.335 4.050 1.00 0.00 C ATOM 714 CG1 VAL A 49 1.186 -4.749 4.986 1.00 0.00 C ATOM 715 CG2 VAL A 49 3.684 -4.517 4.726 1.00 0.00 C ATOM 0 H VAL A 49 3.421 -3.538 1.978 1.00 0.00 H new ATOM 0 HA VAL A 49 2.819 -6.033 2.885 1.00 0.00 H new ATOM 0 HB VAL A 49 2.202 -3.276 3.823 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.255 -4.184 5.915 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.228 -4.544 4.507 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.263 -5.814 5.203 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.704 -3.956 5.660 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.848 -5.574 4.934 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.470 -4.150 4.066 1.00 0.00 H new ATOM 725 N ALA A 50 -0.023 -4.495 2.262 1.00 0.00 N ATOM 726 CA ALA A 50 -1.412 -4.719 1.899 1.00 0.00 C ATOM 727 C ALA A 50 -1.473 -5.649 0.685 1.00 0.00 C ATOM 728 O ALA A 50 -2.203 -6.639 0.693 1.00 0.00 O ATOM 729 CB ALA A 50 -2.096 -3.376 1.639 1.00 0.00 C ATOM 0 H ALA A 50 0.218 -3.521 2.446 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.948 -5.204 2.715 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.138 -3.545 1.367 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.051 -2.764 2.540 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.587 -2.860 0.825 1.00 0.00 H new ATOM 735 N ILE A 51 -0.697 -5.297 -0.330 1.00 0.00 N ATOM 736 CA ILE A 51 -0.654 -6.087 -1.548 1.00 0.00 C ATOM 737 C ILE A 51 -0.334 -7.542 -1.196 1.00 0.00 C ATOM 738 O ILE A 51 -1.135 -8.438 -1.457 1.00 0.00 O ATOM 739 CB ILE A 51 0.320 -5.469 -2.553 1.00 0.00 C ATOM 740 CG1 ILE A 51 -0.317 -4.279 -3.273 1.00 0.00 C ATOM 741 CG2 ILE A 51 0.837 -6.523 -3.535 1.00 0.00 C ATOM 742 CD1 ILE A 51 0.736 -3.469 -4.031 1.00 0.00 C ATOM 0 H ILE A 51 -0.093 -4.475 -0.333 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.627 -6.084 -2.039 1.00 0.00 H new ATOM 0 HB ILE A 51 1.182 -5.090 -2.004 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.077 -4.635 -3.968 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.822 -3.639 -2.549 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.527 -6.057 -4.238 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.354 -7.309 -2.986 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.002 -6.954 -4.081 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.257 -2.629 -4.534 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.481 -3.094 -3.329 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.222 -4.105 -4.771 1.00 0.00 H new ATOM 754 N ASN A 52 0.838 -7.731 -0.609 1.00 0.00 N ATOM 755 CA ASN A 52 1.274 -9.061 -0.219 1.00 0.00 C ATOM 756 C ASN A 52 0.142 -9.764 0.532 1.00 0.00 C ATOM 757 O ASN A 52 -0.242 -10.879 0.183 1.00 0.00 O ATOM 758 CB ASN A 52 2.487 -8.993 0.710 1.00 0.00 C ATOM 759 CG ASN A 52 3.550 -10.015 0.301 1.00 0.00 C ATOM 760 OD1 ASN A 52 3.276 -11.187 0.098 1.00 0.00 O ATOM 761 ND2 ASN A 52 4.774 -9.508 0.192 1.00 0.00 N ATOM 0 H ASN A 52 1.500 -6.985 -0.394 1.00 0.00 H new ATOM 0 HA ASN A 52 1.543 -9.606 -1.124 1.00 0.00 H new ATOM 0 HB2 ASN A 52 2.913 -7.990 0.685 1.00 0.00 H new ATOM 0 HB3 ASN A 52 2.174 -9.180 1.737 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.553 -10.109 -0.076 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.934 -8.518 0.376 1.00 0.00 H new ATOM 768 N ARG A 53 -0.362 -9.082 1.551 1.00 0.00 N ATOM 769 CA ARG A 53 -1.443 -9.627 2.354 1.00 0.00 C ATOM 770 C ARG A 53 -2.568 -10.141 1.453 1.00 0.00 C ATOM 771 O ARG A 53 -2.927 -11.316 1.511 1.00 0.00 O ATOM 772 CB ARG A 53 -2.005 -8.573 3.309 1.00 0.00 C ATOM 773 CG ARG A 53 -1.468 -8.775 4.728 1.00 0.00 C ATOM 774 CD ARG A 53 -0.363 -7.766 5.045 1.00 0.00 C ATOM 775 NE ARG A 53 0.953 -8.317 4.653 1.00 0.00 N ATOM 776 CZ ARG A 53 1.594 -9.282 5.326 1.00 0.00 C ATOM 777 NH1 ARG A 53 1.044 -9.809 6.428 1.00 0.00 N ATOM 778 NH2 ARG A 53 2.786 -9.720 4.896 1.00 0.00 N ATOM 0 H ARG A 53 -0.041 -8.157 1.838 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.037 -10.452 2.940 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.739 -7.577 2.954 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.094 -8.628 3.317 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.280 -8.668 5.447 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.081 -9.789 4.833 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.548 -6.832 4.514 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.366 -7.533 6.110 1.00 0.00 H new ATOM 0 HE ARG A 53 1.400 -7.938 3.818 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.137 -9.476 6.755 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.532 -10.544 6.940 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.204 -9.319 4.057 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.274 -10.455 5.408 1.00 0.00 H new ATOM 792 N LEU A 54 -3.093 -9.235 0.642 1.00 0.00 N ATOM 793 CA LEU A 54 -4.169 -9.582 -0.270 1.00 0.00 C ATOM 794 C LEU A 54 -3.729 -10.752 -1.151 1.00 0.00 C ATOM 795 O LEU A 54 -4.494 -11.690 -1.372 1.00 0.00 O ATOM 796 CB LEU A 54 -4.618 -8.351 -1.062 1.00 0.00 C ATOM 797 CG LEU A 54 -5.162 -7.184 -0.235 1.00 0.00 C ATOM 798 CD1 LEU A 54 -5.548 -6.008 -1.135 1.00 0.00 C ATOM 799 CD2 LEU A 54 -6.325 -7.634 0.651 1.00 0.00 C ATOM 0 H LEU A 54 -2.793 -8.261 0.597 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.046 -9.914 0.285 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.772 -7.992 -1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.388 -8.659 -1.769 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.369 -6.836 0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.932 -5.192 -0.523 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.671 -5.668 -1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.317 -6.326 -1.839 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.693 -6.785 1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.129 -8.024 0.026 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.983 -8.414 1.331 1.00 0.00 H new ATOM 811 N LEU A 55 -2.497 -10.660 -1.631 1.00 0.00 N ATOM 812 CA LEU A 55 -1.945 -11.700 -2.482 1.00 0.00 C ATOM 813 C LEU A 55 -2.080 -13.053 -1.781 1.00 0.00 C ATOM 814 O LEU A 55 -2.549 -14.021 -2.377 1.00 0.00 O ATOM 815 CB LEU A 55 -0.510 -11.356 -2.886 1.00 0.00 C ATOM 816 CG LEU A 55 -0.351 -10.205 -3.881 1.00 0.00 C ATOM 817 CD1 LEU A 55 1.127 -9.891 -4.124 1.00 0.00 C ATOM 818 CD2 LEU A 55 -1.095 -10.500 -5.185 1.00 0.00 C ATOM 0 H LEU A 55 -1.866 -9.881 -1.446 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.506 -11.767 -3.414 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.051 -11.111 -1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.051 -12.247 -3.315 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.803 -9.314 -3.447 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.212 -9.069 -4.835 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.598 -9.607 -3.183 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.625 -10.773 -4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.966 -9.666 -5.875 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.694 -11.408 -5.635 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.156 -10.636 -4.976 1.00 0.00 H new ATOM 830 N SER A 56 -1.660 -13.076 -0.524 1.00 0.00 N ATOM 831 CA SER A 56 -1.728 -14.294 0.265 1.00 0.00 C ATOM 832 C SER A 56 -3.181 -14.599 0.633 1.00 0.00 C ATOM 833 O SER A 56 -3.713 -15.644 0.262 1.00 0.00 O ATOM 834 CB SER A 56 -0.873 -14.179 1.529 1.00 0.00 C ATOM 835 OG SER A 56 -0.778 -15.420 2.223 1.00 0.00 O ATOM 0 H SER A 56 -1.272 -12.271 -0.033 1.00 0.00 H new ATOM 0 HA SER A 56 -1.333 -15.113 -0.336 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.126 -13.836 1.261 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.302 -13.426 2.190 1.00 0.00 H new ATOM 0 HG SER A 56 -0.223 -15.306 3.023 1.00 0.00 H new ATOM 841 N MET A 57 -3.782 -13.667 1.359 1.00 0.00 N ATOM 842 CA MET A 57 -5.164 -13.823 1.781 1.00 0.00 C ATOM 843 C MET A 57 -6.005 -14.469 0.678 1.00 0.00 C ATOM 844 O MET A 57 -6.923 -15.236 0.961 1.00 0.00 O ATOM 845 CB MET A 57 -5.748 -12.454 2.133 1.00 0.00 C ATOM 846 CG MET A 57 -5.033 -11.848 3.343 1.00 0.00 C ATOM 847 SD MET A 57 -6.222 -11.419 4.603 1.00 0.00 S ATOM 848 CE MET A 57 -5.938 -9.661 4.713 1.00 0.00 C ATOM 0 H MET A 57 -3.337 -12.802 1.665 1.00 0.00 H new ATOM 0 HA MET A 57 -5.186 -14.473 2.656 1.00 0.00 H new ATOM 0 HB2 MET A 57 -5.655 -11.784 1.278 1.00 0.00 H new ATOM 0 HB3 MET A 57 -6.812 -12.553 2.347 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.309 -12.559 3.741 1.00 0.00 H new ATOM 0 HG3 MET A 57 -4.476 -10.961 3.040 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.498 -9.254 5.555 1.00 0.00 H new ATOM 0 HE2 MET A 57 -4.874 -9.473 4.860 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.268 -9.181 3.792 1.00 0.00 H new ATOM 858 N GLY A 58 -5.660 -14.134 -0.557 1.00 0.00 N ATOM 859 CA GLY A 58 -6.372 -14.672 -1.704 1.00 0.00 C ATOM 860 C GLY A 58 -7.452 -13.700 -2.185 1.00 0.00 C ATOM 861 O GLY A 58 -8.387 -14.098 -2.877 1.00 0.00 O ATOM 0 H GLY A 58 -4.897 -13.497 -0.788 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.669 -14.869 -2.513 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.828 -15.626 -1.439 1.00 0.00 H new ATOM 865 N GLN A 59 -7.285 -12.443 -1.798 1.00 0.00 N ATOM 866 CA GLN A 59 -8.234 -11.411 -2.181 1.00 0.00 C ATOM 867 C GLN A 59 -7.739 -10.670 -3.425 1.00 0.00 C ATOM 868 O GLN A 59 -8.533 -10.088 -4.162 1.00 0.00 O ATOM 869 CB GLN A 59 -8.481 -10.438 -1.026 1.00 0.00 C ATOM 870 CG GLN A 59 -8.911 -11.186 0.238 1.00 0.00 C ATOM 871 CD GLN A 59 -10.392 -10.949 0.538 1.00 0.00 C ATOM 872 OE1 GLN A 59 -11.277 -11.431 -0.150 1.00 0.00 O ATOM 873 NE2 GLN A 59 -10.612 -10.181 1.602 1.00 0.00 N ATOM 0 H GLN A 59 -6.508 -12.117 -1.224 1.00 0.00 H new ATOM 0 HA GLN A 59 -9.184 -11.889 -2.420 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -7.574 -9.869 -0.825 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -9.252 -9.721 -1.308 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.728 -12.253 0.113 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.308 -10.856 1.083 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.825 -9.810 2.134 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -11.567 -9.964 1.885 1.00 0.00 H new ATOM 882 N LEU A 60 -6.429 -10.717 -3.621 1.00 0.00 N ATOM 883 CA LEU A 60 -5.819 -10.058 -4.763 1.00 0.00 C ATOM 884 C LEU A 60 -5.060 -11.091 -5.597 1.00 0.00 C ATOM 885 O LEU A 60 -4.518 -12.054 -5.056 1.00 0.00 O ATOM 886 CB LEU A 60 -4.954 -8.882 -4.304 1.00 0.00 C ATOM 887 CG LEU A 60 -4.156 -8.170 -5.397 1.00 0.00 C ATOM 888 CD1 LEU A 60 -5.076 -7.679 -6.516 1.00 0.00 C ATOM 889 CD2 LEU A 60 -3.312 -7.036 -4.810 1.00 0.00 C ATOM 0 H LEU A 60 -5.773 -11.201 -3.008 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.585 -9.628 -5.408 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.599 -8.150 -3.818 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.256 -9.243 -3.549 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.466 -8.889 -5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.483 -7.176 -7.280 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.595 -8.529 -6.960 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.807 -6.981 -6.107 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.755 -6.546 -5.609 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.965 -6.310 -4.325 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.615 -7.443 -4.078 1.00 0.00 H new ATOM 901 N ASP A 61 -5.045 -10.856 -6.901 1.00 0.00 N ATOM 902 CA ASP A 61 -4.361 -11.755 -7.815 1.00 0.00 C ATOM 903 C ASP A 61 -3.217 -11.005 -8.500 1.00 0.00 C ATOM 904 O ASP A 61 -3.435 -9.965 -9.119 1.00 0.00 O ATOM 905 CB ASP A 61 -5.311 -12.263 -8.902 1.00 0.00 C ATOM 906 CG ASP A 61 -5.412 -13.785 -9.012 1.00 0.00 C ATOM 907 OD1 ASP A 61 -4.475 -14.453 -8.526 1.00 0.00 O ATOM 908 OD2 ASP A 61 -6.426 -14.247 -9.580 1.00 0.00 O ATOM 0 H ASP A 61 -5.495 -10.056 -7.346 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.987 -12.601 -7.239 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.306 -11.861 -8.711 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.985 -11.865 -9.863 1.00 0.00 H new ATOM 913 N LEU A 62 -2.022 -11.562 -8.366 1.00 0.00 N ATOM 914 CA LEU A 62 -0.843 -10.959 -8.965 1.00 0.00 C ATOM 915 C LEU A 62 -0.692 -11.462 -10.402 1.00 0.00 C ATOM 916 O LEU A 62 -0.599 -12.666 -10.635 1.00 0.00 O ATOM 917 CB LEU A 62 0.388 -11.210 -8.093 1.00 0.00 C ATOM 918 CG LEU A 62 1.361 -10.038 -7.952 1.00 0.00 C ATOM 919 CD1 LEU A 62 2.631 -10.464 -7.213 1.00 0.00 C ATOM 920 CD2 LEU A 62 1.672 -9.417 -9.315 1.00 0.00 C ATOM 0 H LEU A 62 -1.845 -12.425 -7.851 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.953 -9.876 -9.016 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.051 -11.498 -7.097 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.932 -12.061 -8.504 1.00 0.00 H new ATOM 0 HG LEU A 62 0.881 -9.267 -7.348 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.305 -9.612 -7.127 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.370 -10.822 -6.217 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.124 -11.262 -7.768 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.366 -8.586 -9.187 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.122 -10.169 -9.963 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.750 -9.053 -9.768 1.00 0.00 H new ATOM 932 N LEU A 63 -0.673 -10.514 -11.327 1.00 0.00 N ATOM 933 CA LEU A 63 -0.535 -10.846 -12.735 1.00 0.00 C ATOM 934 C LEU A 63 0.710 -10.156 -13.298 1.00 0.00 C ATOM 935 O LEU A 63 0.724 -8.939 -13.472 1.00 0.00 O ATOM 936 CB LEU A 63 -1.820 -10.509 -13.494 1.00 0.00 C ATOM 937 CG LEU A 63 -2.400 -11.629 -14.360 1.00 0.00 C ATOM 938 CD1 LEU A 63 -3.929 -11.634 -14.298 1.00 0.00 C ATOM 939 CD2 LEU A 63 -1.886 -11.533 -15.798 1.00 0.00 C ATOM 0 H LEU A 63 -0.751 -9.516 -11.129 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.390 -11.919 -12.860 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.577 -10.207 -12.771 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.626 -9.647 -14.132 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.058 -12.583 -13.958 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.316 -12.440 -14.922 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.251 -11.787 -13.268 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.311 -10.679 -14.660 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.314 -12.341 -16.392 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.178 -10.574 -16.226 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.799 -11.616 -15.802 1.00 0.00 H new ATOM 951 N ARG A 64 1.725 -10.964 -13.566 1.00 0.00 N ATOM 952 CA ARG A 64 2.971 -10.447 -14.105 1.00 0.00 C ATOM 953 C ARG A 64 2.809 -10.111 -15.589 1.00 0.00 C ATOM 954 O ARG A 64 2.739 -11.009 -16.428 1.00 0.00 O ATOM 955 CB ARG A 64 4.106 -11.460 -13.939 1.00 0.00 C ATOM 956 CG ARG A 64 4.887 -11.202 -12.649 1.00 0.00 C ATOM 957 CD ARG A 64 5.223 -12.515 -11.939 1.00 0.00 C ATOM 958 NE ARG A 64 5.673 -12.242 -10.556 1.00 0.00 N ATOM 959 CZ ARG A 64 5.646 -13.143 -9.565 1.00 0.00 C ATOM 960 NH1 ARG A 64 5.190 -14.382 -9.799 1.00 0.00 N ATOM 961 NH2 ARG A 64 6.075 -12.807 -8.341 1.00 0.00 N ATOM 0 H ARG A 64 1.710 -11.973 -13.420 1.00 0.00 H new ATOM 0 HA ARG A 64 3.222 -9.543 -13.550 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.697 -12.470 -13.925 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.779 -11.400 -14.794 1.00 0.00 H new ATOM 0 HG2 ARG A 64 5.806 -10.663 -12.878 1.00 0.00 H new ATOM 0 HG3 ARG A 64 4.301 -10.566 -11.986 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.347 -13.164 -11.924 1.00 0.00 H new ATOM 0 HD3 ARG A 64 6.003 -13.045 -12.486 1.00 0.00 H new ATOM 0 HE ARG A 64 6.026 -11.309 -10.344 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.864 -14.638 -10.731 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.169 -15.069 -9.045 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.422 -11.865 -8.163 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.054 -13.494 -7.587 1.00 0.00 H new ATOM 975 N SER A 65 2.754 -8.817 -15.868 1.00 0.00 N ATOM 976 CA SER A 65 2.601 -8.353 -17.236 1.00 0.00 C ATOM 977 C SER A 65 3.848 -7.577 -17.667 1.00 0.00 C ATOM 978 O SER A 65 4.698 -7.252 -16.840 1.00 0.00 O ATOM 979 CB SER A 65 1.354 -7.478 -17.385 1.00 0.00 C ATOM 980 OG SER A 65 1.269 -6.492 -16.360 1.00 0.00 O ATOM 0 H SER A 65 2.813 -8.076 -15.170 1.00 0.00 H new ATOM 0 HA SER A 65 2.480 -9.223 -17.881 1.00 0.00 H new ATOM 0 HB2 SER A 65 1.369 -6.988 -18.359 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.464 -8.107 -17.358 1.00 0.00 H new ATOM 0 HG SER A 65 0.461 -5.953 -16.491 1.00 0.00 H new ATOM 1021 N LEU A 69 4.454 -5.644 -12.252 1.00 0.00 N ATOM 1022 CA LEU A 69 3.417 -6.640 -12.046 1.00 0.00 C ATOM 1023 C LEU A 69 2.052 -5.949 -12.009 1.00 0.00 C ATOM 1024 O LEU A 69 1.974 -4.729 -11.874 1.00 0.00 O ATOM 1025 CB LEU A 69 3.716 -7.477 -10.801 1.00 0.00 C ATOM 1026 CG LEU A 69 5.196 -7.677 -10.467 1.00 0.00 C ATOM 1027 CD1 LEU A 69 5.365 -8.582 -9.245 1.00 0.00 C ATOM 1028 CD2 LEU A 69 5.965 -8.203 -11.680 1.00 0.00 C ATOM 0 HA LEU A 69 3.396 -7.345 -12.877 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.231 -7.006 -9.946 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.257 -8.457 -10.928 1.00 0.00 H new ATOM 0 HG LEU A 69 5.622 -6.707 -10.211 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.426 -8.708 -9.029 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.871 -8.129 -8.385 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.918 -9.555 -9.448 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.014 -8.336 -11.416 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.545 -9.159 -11.991 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.885 -7.488 -12.499 1.00 0.00 H new ATOM 1040 N LEU A 70 1.011 -6.759 -12.132 1.00 0.00 N ATOM 1041 CA LEU A 70 -0.347 -6.241 -12.114 1.00 0.00 C ATOM 1042 C LEU A 70 -1.138 -6.934 -11.003 1.00 0.00 C ATOM 1043 O LEU A 70 -0.766 -8.017 -10.554 1.00 0.00 O ATOM 1044 CB LEU A 70 -0.987 -6.369 -13.497 1.00 0.00 C ATOM 1045 CG LEU A 70 -2.515 -6.305 -13.537 1.00 0.00 C ATOM 1046 CD1 LEU A 70 -3.015 -6.002 -14.951 1.00 0.00 C ATOM 1047 CD2 LEU A 70 -3.132 -7.587 -12.974 1.00 0.00 C ATOM 0 H LEU A 70 1.080 -7.770 -12.245 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.345 -5.175 -11.887 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.593 -5.576 -14.133 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.671 -7.316 -13.936 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.839 -5.483 -12.898 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.104 -5.962 -14.951 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.617 -5.042 -15.280 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.681 -6.786 -15.631 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.219 -7.516 -13.014 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.802 -8.440 -13.567 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.815 -7.720 -11.940 1.00 0.00 H new ATOM 1059 N TYR A 71 -2.215 -6.281 -10.592 1.00 0.00 N ATOM 1060 CA TYR A 71 -3.063 -6.821 -9.542 1.00 0.00 C ATOM 1061 C TYR A 71 -4.543 -6.660 -9.895 1.00 0.00 C ATOM 1062 O TYR A 71 -5.007 -5.549 -10.146 1.00 0.00 O ATOM 1063 CB TYR A 71 -2.757 -5.999 -8.289 1.00 0.00 C ATOM 1064 CG TYR A 71 -1.279 -5.636 -8.128 1.00 0.00 C ATOM 1065 CD1 TYR A 71 -0.337 -6.632 -7.968 1.00 0.00 C ATOM 1066 CD2 TYR A 71 -0.888 -4.312 -8.143 1.00 0.00 C ATOM 1067 CE1 TYR A 71 1.053 -6.290 -7.816 1.00 0.00 C ATOM 1068 CE2 TYR A 71 0.502 -3.970 -7.991 1.00 0.00 C ATOM 1069 CZ TYR A 71 1.405 -4.976 -7.835 1.00 0.00 C ATOM 1070 OH TYR A 71 2.718 -4.653 -7.692 1.00 0.00 O ATOM 0 H TYR A 71 -2.520 -5.383 -10.967 1.00 0.00 H new ATOM 0 HA TYR A 71 -2.870 -7.885 -9.402 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -3.345 -5.082 -8.316 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -3.081 -6.559 -7.412 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.643 -7.668 -7.957 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -1.625 -3.533 -8.269 1.00 0.00 H new ATOM 0 HE1 TYR A 71 1.800 -7.060 -7.690 1.00 0.00 H new ATOM 0 HE2 TYR A 71 0.821 -2.938 -8.001 1.00 0.00 H new ATOM 0 HH TYR A 71 2.821 -3.679 -7.726 1.00 0.00 H new ATOM 1080 N ARG A 72 -5.242 -7.785 -9.903 1.00 0.00 N ATOM 1081 CA ARG A 72 -6.660 -7.782 -10.220 1.00 0.00 C ATOM 1082 C ARG A 72 -7.445 -8.546 -9.152 1.00 0.00 C ATOM 1083 O ARG A 72 -6.857 -9.112 -8.231 1.00 0.00 O ATOM 1084 CB ARG A 72 -6.919 -8.420 -11.587 1.00 0.00 C ATOM 1085 CG ARG A 72 -7.296 -9.895 -11.441 1.00 0.00 C ATOM 1086 CD ARG A 72 -7.235 -10.613 -12.791 1.00 0.00 C ATOM 1087 NE ARG A 72 -7.903 -11.930 -12.695 1.00 0.00 N ATOM 1088 CZ ARG A 72 -7.712 -12.934 -13.562 1.00 0.00 C ATOM 1089 NH1 ARG A 72 -6.873 -12.777 -14.594 1.00 0.00 N ATOM 1090 NH2 ARG A 72 -8.361 -14.095 -13.396 1.00 0.00 N ATOM 0 H ARG A 72 -4.853 -8.705 -9.695 1.00 0.00 H new ATOM 0 HA ARG A 72 -6.992 -6.744 -10.246 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.721 -7.885 -12.096 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.029 -8.328 -12.210 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.619 -10.379 -10.737 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.301 -9.978 -11.026 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.718 -10.006 -13.557 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -6.197 -10.744 -13.096 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.549 -12.083 -11.921 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -6.379 -11.893 -14.720 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.728 -13.541 -15.254 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -9.000 -14.214 -12.610 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -8.216 -14.859 -14.056 1.00 0.00 H new ATOM 1104 N ILE A 73 -8.760 -8.538 -9.311 1.00 0.00 N ATOM 1105 CA ILE A 73 -9.631 -9.223 -8.371 1.00 0.00 C ATOM 1106 C ILE A 73 -9.491 -10.735 -8.561 1.00 0.00 C ATOM 1107 O ILE A 73 -9.652 -11.242 -9.670 1.00 0.00 O ATOM 1108 CB ILE A 73 -11.069 -8.717 -8.506 1.00 0.00 C ATOM 1109 CG1 ILE A 73 -11.474 -7.884 -7.289 1.00 0.00 C ATOM 1110 CG2 ILE A 73 -12.037 -9.876 -8.756 1.00 0.00 C ATOM 1111 CD1 ILE A 73 -11.199 -8.643 -5.989 1.00 0.00 C ATOM 0 H ILE A 73 -9.244 -8.068 -10.076 1.00 0.00 H new ATOM 0 HA ILE A 73 -9.334 -9.001 -7.346 1.00 0.00 H new ATOM 0 HB ILE A 73 -11.120 -8.062 -9.375 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.924 -6.943 -7.288 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -12.533 -7.634 -7.351 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -13.052 -9.489 -8.848 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -11.760 -10.390 -9.676 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.990 -10.576 -7.922 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -11.496 -8.028 -5.139 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -11.770 -9.572 -5.982 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -10.135 -8.870 -5.918 1.00 0.00 H new ATOM 1123 N LYS A 74 -9.193 -11.412 -7.462 1.00 0.00 N ATOM 1124 CA LYS A 74 -9.029 -12.856 -7.494 1.00 0.00 C ATOM 1125 C LYS A 74 -10.337 -13.503 -7.951 1.00 0.00 C ATOM 1126 O LYS A 74 -11.418 -13.084 -7.540 1.00 0.00 O ATOM 1127 CB LYS A 74 -8.529 -13.368 -6.141 1.00 0.00 C ATOM 1128 CG LYS A 74 -7.785 -14.695 -6.299 1.00 0.00 C ATOM 1129 CD LYS A 74 -6.602 -14.779 -5.332 1.00 0.00 C ATOM 1130 CE LYS A 74 -6.320 -16.230 -4.936 1.00 0.00 C ATOM 1131 NZ LYS A 74 -5.243 -16.796 -5.778 1.00 0.00 N ATOM 0 H LYS A 74 -9.061 -10.988 -6.544 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.264 -13.137 -8.218 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -7.868 -12.628 -5.690 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.372 -13.498 -5.463 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.469 -15.524 -6.115 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -7.429 -14.797 -7.324 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.716 -14.346 -5.797 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.814 -14.189 -4.440 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -6.032 -16.277 -3.886 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.226 -16.826 -5.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.064 -17.781 -5.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.532 -16.768 -6.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.375 -16.237 -5.653 1.00 0.00 H new