USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 601 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 70 LYS NZ :NH3+ -167:sc= 0 (180deg=0) USER MOD Set 1.2: A 71 GLN : amide:sc= -0.077 X(o=-0.077,f=-0.077) USER MOD Set 2.1: A 38 HIS : no HE2:sc= -5.35! C(o=-6.5!,f=-8.1!) USER MOD Set 2.2: A 68 HIS : no HE2:sc= -1.13 X(o=-6.5,f=-7) USER MOD Set 3.1: A 16 HIS : no HE2:sc= -2.23 K(o=-2.5,f=-3.1!) USER MOD Set 3.2: A 64 GLN : amide:sc= -0.296 X(o=-2.5,f=-2.2) USER MOD Single : A 13 ASN : amide:sc= -0.0446 K(o=-0.045,f=-0.94) USER MOD Single : A 17 GLN : amide:sc= -0.0902 K(o=-0.09,f=-1.8!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot -89:sc= 1.1 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.0454 USER MOD Single : A 37 CYS SG : rot -130:sc= -1.2 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -74:sc= 0.382 USER MOD Single : A 43 THR OG1 : rot 84:sc= 1.18 USER MOD Single : A 44 TYR OH : rot 80:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 149:sc= -2.91 (180deg=-5.93!) USER MOD Single : A 50 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0541) USER MOD Single : A 52 THR OG1 : rot 150:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -2.96! C(o=-3!,f=-3.2!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -46:sc= 0.154 USER MOD Single : A 69 MET CE :methyl 177:sc= -6.64! (180deg=-6.75!) USER MOD Single : A 76 GLN : amide:sc= -0.0976 X(o=-0.098,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 98 N GLY A 10 -5.803 18.721 0.267 1.00 0.00 N ATOM 99 CA GLY A 10 -6.177 18.418 -1.102 1.00 0.00 C ATOM 100 C GLY A 10 -5.671 17.063 -1.555 1.00 0.00 C ATOM 101 O GLY A 10 -6.376 16.056 -1.483 1.00 0.00 O ATOM 0 HA2 GLY A 10 -7.263 18.446 -1.193 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.782 19.190 -1.763 1.00 0.00 H new ATOM 105 N PRO A 11 -4.419 17.025 -2.036 1.00 0.00 N ATOM 106 CA PRO A 11 -3.791 15.789 -2.514 1.00 0.00 C ATOM 107 C PRO A 11 -3.488 14.817 -1.378 1.00 0.00 C ATOM 108 O PRO A 11 -3.194 13.645 -1.613 1.00 0.00 O ATOM 109 CB PRO A 11 -2.493 16.278 -3.160 1.00 0.00 C ATOM 110 CG PRO A 11 -2.190 17.566 -2.475 1.00 0.00 C ATOM 111 CD PRO A 11 -3.521 18.186 -2.152 1.00 0.00 C ATOM 0 HA PRO A 11 -4.440 15.238 -3.194 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.687 15.557 -3.023 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.614 16.420 -4.234 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.607 17.399 -1.569 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.600 18.220 -3.117 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.483 18.759 -1.225 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.847 18.869 -2.936 1.00 0.00 H new ATOM 119 N LEU A 12 -3.563 15.311 -0.147 1.00 0.00 N ATOM 120 CA LEU A 12 -3.297 14.485 1.026 1.00 0.00 C ATOM 121 C LEU A 12 -4.391 13.440 1.215 1.00 0.00 C ATOM 122 O LEU A 12 -4.107 12.266 1.450 1.00 0.00 O ATOM 123 CB LEU A 12 -3.190 15.360 2.276 1.00 0.00 C ATOM 124 CG LEU A 12 -1.798 15.907 2.596 1.00 0.00 C ATOM 125 CD1 LEU A 12 -1.887 17.030 3.617 1.00 0.00 C ATOM 126 CD2 LEU A 12 -0.892 14.794 3.102 1.00 0.00 C ATOM 0 H LEU A 12 -3.806 16.279 0.065 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.350 13.968 0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.873 16.202 2.165 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.536 14.780 3.132 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.368 16.311 1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.887 17.406 3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.500 17.837 3.217 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.338 16.652 4.535 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.094 15.201 3.325 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.319 14.361 4.007 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.802 14.022 2.338 1.00 0.00 H new ATOM 138 N ASN A 13 -5.642 13.874 1.108 1.00 0.00 N ATOM 139 CA ASN A 13 -6.779 12.975 1.265 1.00 0.00 C ATOM 140 C ASN A 13 -6.837 11.964 0.123 1.00 0.00 C ATOM 141 O ASN A 13 -7.117 10.784 0.337 1.00 0.00 O ATOM 142 CB ASN A 13 -8.084 13.773 1.321 1.00 0.00 C ATOM 143 CG ASN A 13 -9.249 12.942 1.824 1.00 0.00 C ATOM 144 OD1 ASN A 13 -9.665 11.981 1.177 1.00 0.00 O ATOM 145 ND2 ASN A 13 -9.782 13.311 2.983 1.00 0.00 N ATOM 0 H ASN A 13 -5.894 14.843 0.913 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.652 12.431 2.201 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.950 14.637 1.971 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.316 14.155 0.327 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.569 12.791 3.371 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.404 14.115 3.485 1.00 0.00 H new ATOM 152 N LEU A 14 -6.568 12.435 -1.090 1.00 0.00 N ATOM 153 CA LEU A 14 -6.588 11.574 -2.267 1.00 0.00 C ATOM 154 C LEU A 14 -5.728 10.333 -2.048 1.00 0.00 C ATOM 155 O LEU A 14 -6.079 9.238 -2.484 1.00 0.00 O ATOM 156 CB LEU A 14 -6.093 12.342 -3.494 1.00 0.00 C ATOM 157 CG LEU A 14 -7.151 13.139 -4.258 1.00 0.00 C ATOM 158 CD1 LEU A 14 -6.504 14.267 -5.045 1.00 0.00 C ATOM 159 CD2 LEU A 14 -7.941 12.225 -5.184 1.00 0.00 C ATOM 0 H LEU A 14 -6.333 13.409 -1.284 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.617 11.256 -2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.309 13.029 -3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.635 11.632 -4.182 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.841 13.576 -3.536 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.272 14.823 -5.582 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.983 14.936 -4.360 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.792 13.851 -5.758 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.689 12.809 -5.720 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.264 11.759 -5.900 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.436 11.452 -4.597 1.00 0.00 H new ATOM 171 N ALA A 15 -4.601 10.514 -1.368 1.00 0.00 N ATOM 172 CA ALA A 15 -3.693 9.409 -1.087 1.00 0.00 C ATOM 173 C ALA A 15 -4.284 8.462 -0.048 1.00 0.00 C ATOM 174 O ALA A 15 -4.023 7.259 -0.069 1.00 0.00 O ATOM 175 CB ALA A 15 -2.346 9.938 -0.616 1.00 0.00 C ATOM 0 H ALA A 15 -4.295 11.415 -1.001 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.548 8.848 -2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.678 9.101 -0.410 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.911 10.567 -1.392 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.483 10.525 0.292 1.00 0.00 H new ATOM 181 N HIS A 16 -5.081 9.014 0.862 1.00 0.00 N ATOM 182 CA HIS A 16 -5.709 8.218 1.911 1.00 0.00 C ATOM 183 C HIS A 16 -6.671 7.195 1.314 1.00 0.00 C ATOM 184 O HIS A 16 -6.675 6.030 1.710 1.00 0.00 O ATOM 185 CB HIS A 16 -6.454 9.125 2.891 1.00 0.00 C ATOM 186 CG HIS A 16 -5.593 10.192 3.493 1.00 0.00 C ATOM 187 ND1 HIS A 16 -6.103 11.264 4.193 1.00 0.00 N ATOM 188 CD2 HIS A 16 -4.248 10.346 3.499 1.00 0.00 C ATOM 189 CE1 HIS A 16 -5.110 12.033 4.602 1.00 0.00 C ATOM 190 NE2 HIS A 16 -3.974 11.498 4.194 1.00 0.00 N ATOM 0 H HIS A 16 -5.307 10.008 0.894 1.00 0.00 H new ATOM 0 HA HIS A 16 -4.925 7.683 2.447 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.291 9.594 2.374 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -6.874 8.515 3.690 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -7.093 11.437 4.368 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.525 9.686 3.042 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -5.210 12.944 5.173 1.00 0.00 H new ATOM 199 N GLN A 17 -7.483 7.640 0.361 1.00 0.00 N ATOM 200 CA GLN A 17 -8.450 6.762 -0.289 1.00 0.00 C ATOM 201 C GLN A 17 -7.808 5.433 -0.671 1.00 0.00 C ATOM 202 O GLN A 17 -8.295 4.367 -0.295 1.00 0.00 O ATOM 203 CB GLN A 17 -9.029 7.439 -1.532 1.00 0.00 C ATOM 204 CG GLN A 17 -9.832 8.692 -1.225 1.00 0.00 C ATOM 205 CD GLN A 17 -10.795 9.056 -2.338 1.00 0.00 C ATOM 206 OE1 GLN A 17 -10.963 8.306 -3.299 1.00 0.00 O ATOM 207 NE2 GLN A 17 -11.434 10.214 -2.213 1.00 0.00 N ATOM 0 H GLN A 17 -7.491 8.602 0.022 1.00 0.00 H new ATOM 0 HA GLN A 17 -9.256 6.564 0.417 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.214 7.697 -2.208 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.667 6.729 -2.058 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -10.390 8.544 -0.301 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.149 9.524 -1.054 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -11.264 10.805 -1.399 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -12.094 10.512 -2.931 1.00 0.00 H new ATOM 216 N GLN A 18 -6.713 5.504 -1.421 1.00 0.00 N ATOM 217 CA GLN A 18 -6.005 4.306 -1.855 1.00 0.00 C ATOM 218 C GLN A 18 -5.386 3.578 -0.665 1.00 0.00 C ATOM 219 O GLN A 18 -5.440 2.352 -0.579 1.00 0.00 O ATOM 220 CB GLN A 18 -4.918 4.668 -2.868 1.00 0.00 C ATOM 221 CG GLN A 18 -5.455 5.330 -4.126 1.00 0.00 C ATOM 222 CD GLN A 18 -5.887 4.324 -5.175 1.00 0.00 C ATOM 223 OE1 GLN A 18 -7.030 3.866 -5.179 1.00 0.00 O ATOM 224 NE2 GLN A 18 -4.973 3.975 -6.073 1.00 0.00 N ATOM 0 H GLN A 18 -6.297 6.379 -1.741 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.726 3.641 -2.330 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.200 5.337 -2.394 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.377 3.764 -3.146 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.302 5.964 -3.865 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.688 5.980 -4.546 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.038 4.380 -6.032 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -5.206 3.302 -6.803 1.00 0.00 H new ATOM 233 N SER A 19 -4.799 4.343 0.249 1.00 0.00 N ATOM 234 CA SER A 19 -4.166 3.771 1.432 1.00 0.00 C ATOM 235 C SER A 19 -5.031 2.667 2.031 1.00 0.00 C ATOM 236 O SER A 19 -4.530 1.613 2.422 1.00 0.00 O ATOM 237 CB SER A 19 -3.911 4.859 2.477 1.00 0.00 C ATOM 238 OG SER A 19 -5.025 5.007 3.341 1.00 0.00 O ATOM 0 H SER A 19 -4.748 5.360 0.194 1.00 0.00 H new ATOM 0 HA SER A 19 -3.213 3.338 1.130 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.025 4.607 3.060 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.705 5.806 1.978 1.00 0.00 H new ATOM 0 HG SER A 19 -5.650 5.659 2.960 1.00 0.00 H new ATOM 244 N ARG A 20 -6.335 2.918 2.100 1.00 0.00 N ATOM 245 CA ARG A 20 -7.271 1.946 2.652 1.00 0.00 C ATOM 246 C ARG A 20 -7.221 0.637 1.870 1.00 0.00 C ATOM 247 O ARG A 20 -7.200 -0.446 2.455 1.00 0.00 O ATOM 248 CB ARG A 20 -8.694 2.510 2.634 1.00 0.00 C ATOM 249 CG ARG A 20 -9.015 3.393 3.829 1.00 0.00 C ATOM 250 CD ARG A 20 -10.506 3.670 3.931 1.00 0.00 C ATOM 251 NE ARG A 20 -11.271 2.457 4.209 1.00 0.00 N ATOM 252 CZ ARG A 20 -12.582 2.356 4.023 1.00 0.00 C ATOM 253 NH1 ARG A 20 -13.271 3.391 3.561 1.00 0.00 N ATOM 254 NH2 ARG A 20 -13.207 1.219 4.298 1.00 0.00 N ATOM 0 H ARG A 20 -6.766 3.785 1.781 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.980 1.744 3.683 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.836 3.086 1.719 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.403 1.683 2.603 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -8.670 2.910 4.743 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.474 4.335 3.743 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.686 4.401 4.720 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.857 4.114 2.999 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.771 1.643 4.566 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -12.794 4.267 3.348 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.278 3.311 3.419 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.681 0.421 4.653 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -14.214 1.143 4.155 1.00 0.00 H new ATOM 268 N ARG A 21 -7.203 0.745 0.546 1.00 0.00 N ATOM 269 CA ARG A 21 -7.157 -0.430 -0.316 1.00 0.00 C ATOM 270 C ARG A 21 -6.043 -1.379 0.117 1.00 0.00 C ATOM 271 O ARG A 21 -6.292 -2.543 0.429 1.00 0.00 O ATOM 272 CB ARG A 21 -6.947 -0.012 -1.773 1.00 0.00 C ATOM 273 CG ARG A 21 -7.034 -1.168 -2.756 1.00 0.00 C ATOM 274 CD ARG A 21 -7.167 -0.672 -4.188 1.00 0.00 C ATOM 275 NE ARG A 21 -6.675 -1.651 -5.153 1.00 0.00 N ATOM 276 CZ ARG A 21 -6.684 -1.455 -6.467 1.00 0.00 C ATOM 277 NH1 ARG A 21 -7.158 -0.323 -6.969 1.00 0.00 N ATOM 278 NH2 ARG A 21 -6.218 -2.393 -7.282 1.00 0.00 N ATOM 0 H ARG A 21 -7.220 1.634 0.046 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.110 -0.951 -0.228 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -7.693 0.737 -2.039 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.971 0.463 -1.869 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.144 -1.791 -2.667 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.889 -1.796 -2.506 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.213 -0.449 -4.399 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.613 0.260 -4.302 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.304 -2.533 -4.799 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.517 0.400 -6.346 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.164 -0.176 -7.978 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.853 -3.265 -6.900 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.225 -2.242 -8.291 1.00 0.00 H new ATOM 292 N ALA A 22 -4.814 -0.872 0.134 1.00 0.00 N ATOM 293 CA ALA A 22 -3.663 -1.674 0.530 1.00 0.00 C ATOM 294 C ALA A 22 -3.947 -2.446 1.814 1.00 0.00 C ATOM 295 O ALA A 22 -3.543 -3.600 1.958 1.00 0.00 O ATOM 296 CB ALA A 22 -2.438 -0.788 0.704 1.00 0.00 C ATOM 0 H ALA A 22 -4.590 0.090 -0.122 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.466 -2.397 -0.261 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.586 -1.400 1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.215 -0.286 -0.238 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.635 -0.043 1.475 1.00 0.00 H new ATOM 302 N ASP A 23 -4.644 -1.802 2.744 1.00 0.00 N ATOM 303 CA ASP A 23 -4.983 -2.428 4.016 1.00 0.00 C ATOM 304 C ASP A 23 -5.998 -3.549 3.817 1.00 0.00 C ATOM 305 O ASP A 23 -5.761 -4.692 4.211 1.00 0.00 O ATOM 306 CB ASP A 23 -5.538 -1.387 4.990 1.00 0.00 C ATOM 307 CG ASP A 23 -4.452 -0.732 5.819 1.00 0.00 C ATOM 308 OD1 ASP A 23 -3.965 -1.375 6.773 1.00 0.00 O ATOM 309 OD2 ASP A 23 -4.088 0.424 5.516 1.00 0.00 O ATOM 0 H ASP A 23 -4.985 -0.846 2.640 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.073 -2.857 4.435 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.076 -0.621 4.431 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.260 -1.863 5.653 1.00 0.00 H new ATOM 314 N ARG A 24 -7.128 -3.215 3.204 1.00 0.00 N ATOM 315 CA ARG A 24 -8.180 -4.193 2.954 1.00 0.00 C ATOM 316 C ARG A 24 -7.627 -5.412 2.223 1.00 0.00 C ATOM 317 O ARG A 24 -8.108 -6.531 2.406 1.00 0.00 O ATOM 318 CB ARG A 24 -9.309 -3.563 2.136 1.00 0.00 C ATOM 319 CG ARG A 24 -10.213 -2.650 2.948 1.00 0.00 C ATOM 320 CD ARG A 24 -11.104 -3.444 3.891 1.00 0.00 C ATOM 321 NE ARG A 24 -10.474 -3.654 5.192 1.00 0.00 N ATOM 322 CZ ARG A 24 -11.138 -4.040 6.276 1.00 0.00 C ATOM 323 NH1 ARG A 24 -12.445 -4.256 6.215 1.00 0.00 N ATOM 324 NH2 ARG A 24 -10.494 -4.210 7.423 1.00 0.00 N ATOM 0 H ARG A 24 -7.339 -2.274 2.871 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.576 -4.517 3.917 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.876 -2.994 1.313 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.911 -4.356 1.693 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.605 -1.951 3.522 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.831 -2.056 2.275 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.049 -2.917 4.026 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.338 -4.409 3.442 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.470 -3.496 5.273 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.943 -4.126 5.334 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.952 -4.552 7.049 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.489 -4.044 7.473 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.004 -4.506 8.255 1.00 0.00 H new ATOM 338 N LEU A 25 -6.614 -5.188 1.393 1.00 0.00 N ATOM 339 CA LEU A 25 -5.995 -6.268 0.632 1.00 0.00 C ATOM 340 C LEU A 25 -5.114 -7.131 1.530 1.00 0.00 C ATOM 341 O LEU A 25 -5.111 -8.358 1.421 1.00 0.00 O ATOM 342 CB LEU A 25 -5.164 -5.697 -0.518 1.00 0.00 C ATOM 343 CG LEU A 25 -5.950 -5.009 -1.635 1.00 0.00 C ATOM 344 CD1 LEU A 25 -5.044 -4.080 -2.430 1.00 0.00 C ATOM 345 CD2 LEU A 25 -6.593 -6.041 -2.550 1.00 0.00 C ATOM 0 H LEU A 25 -6.204 -4.268 1.230 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.789 -6.893 0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.454 -4.980 -0.106 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.581 -6.507 -0.956 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.742 -4.412 -1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.620 -3.599 -3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.631 -3.319 -1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.231 -4.656 -2.872 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.148 -5.533 -3.339 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.818 -6.665 -2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.274 -6.666 -1.972 1.00 0.00 H new ATOM 357 N LEU A 26 -4.370 -6.483 2.420 1.00 0.00 N ATOM 358 CA LEU A 26 -3.487 -7.191 3.340 1.00 0.00 C ATOM 359 C LEU A 26 -4.273 -8.174 4.202 1.00 0.00 C ATOM 360 O LEU A 26 -3.803 -9.274 4.491 1.00 0.00 O ATOM 361 CB LEU A 26 -2.742 -6.195 4.231 1.00 0.00 C ATOM 362 CG LEU A 26 -2.223 -6.743 5.561 1.00 0.00 C ATOM 363 CD1 LEU A 26 -1.146 -7.790 5.323 1.00 0.00 C ATOM 364 CD2 LEU A 26 -1.689 -5.614 6.431 1.00 0.00 C ATOM 0 H LEU A 26 -4.361 -5.468 2.524 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.763 -7.753 2.750 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.896 -5.798 3.670 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.407 -5.357 4.441 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.053 -7.218 6.085 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.789 -8.169 6.281 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.560 -8.612 4.740 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.316 -7.341 4.778 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.324 -6.022 7.373 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.873 -5.111 5.913 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.488 -4.899 6.630 1.00 0.00 H new ATOM 376 N ALA A 27 -5.472 -7.770 4.607 1.00 0.00 N ATOM 377 CA ALA A 27 -6.325 -8.616 5.432 1.00 0.00 C ATOM 378 C ALA A 27 -6.781 -9.851 4.663 1.00 0.00 C ATOM 379 O ALA A 27 -6.997 -10.913 5.246 1.00 0.00 O ATOM 380 CB ALA A 27 -7.528 -7.828 5.930 1.00 0.00 C ATOM 0 H ALA A 27 -5.875 -6.862 4.377 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.742 -8.949 6.291 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.156 -8.473 6.545 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.187 -6.980 6.524 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.104 -7.466 5.078 1.00 0.00 H new ATOM 386 N ALA A 28 -6.928 -9.704 3.350 1.00 0.00 N ATOM 387 CA ALA A 28 -7.358 -10.809 2.501 1.00 0.00 C ATOM 388 C ALA A 28 -6.163 -11.615 2.002 1.00 0.00 C ATOM 389 O ALA A 28 -6.322 -12.587 1.266 1.00 0.00 O ATOM 390 CB ALA A 28 -8.172 -10.286 1.327 1.00 0.00 C ATOM 0 H ALA A 28 -6.756 -8.831 2.851 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.985 -11.471 3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.487 -11.121 0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.051 -9.760 1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.562 -9.601 0.738 1.00 0.00 H new ATOM 396 N GLY A 29 -4.966 -11.202 2.407 1.00 0.00 N ATOM 397 CA GLY A 29 -3.762 -11.897 1.990 1.00 0.00 C ATOM 398 C GLY A 29 -3.287 -11.462 0.618 1.00 0.00 C ATOM 399 O GLY A 29 -2.397 -12.081 0.035 1.00 0.00 O ATOM 0 H GLY A 29 -4.808 -10.399 3.016 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.972 -11.717 2.719 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.950 -12.971 1.982 1.00 0.00 H new ATOM 403 N LYS A 30 -3.884 -10.394 0.098 1.00 0.00 N ATOM 404 CA LYS A 30 -3.519 -9.876 -1.215 1.00 0.00 C ATOM 405 C LYS A 30 -2.355 -8.896 -1.108 1.00 0.00 C ATOM 406 O LYS A 30 -2.515 -7.699 -1.350 1.00 0.00 O ATOM 407 CB LYS A 30 -4.720 -9.190 -1.868 1.00 0.00 C ATOM 408 CG LYS A 30 -5.848 -10.144 -2.222 1.00 0.00 C ATOM 409 CD LYS A 30 -5.621 -10.797 -3.575 1.00 0.00 C ATOM 410 CE LYS A 30 -6.930 -11.263 -4.195 1.00 0.00 C ATOM 411 NZ LYS A 30 -6.732 -12.435 -5.092 1.00 0.00 N ATOM 0 H LYS A 30 -4.623 -9.870 0.567 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.208 -10.716 -1.836 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.102 -8.424 -1.193 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.389 -8.681 -2.773 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.929 -10.914 -1.454 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.794 -9.603 -2.232 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.132 -10.089 -4.244 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.948 -11.647 -3.462 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.633 -11.525 -3.405 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.376 -10.444 -4.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.647 -12.722 -5.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.081 -12.178 -5.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.330 -13.225 -4.548 1.00 0.00 H new ATOM 425 N TYR A 31 -1.185 -9.410 -0.746 1.00 0.00 N ATOM 426 CA TYR A 31 0.005 -8.579 -0.607 1.00 0.00 C ATOM 427 C TYR A 31 0.277 -7.797 -1.889 1.00 0.00 C ATOM 428 O TYR A 31 0.109 -6.579 -1.932 1.00 0.00 O ATOM 429 CB TYR A 31 1.217 -9.443 -0.256 1.00 0.00 C ATOM 430 CG TYR A 31 1.007 -10.317 0.960 1.00 0.00 C ATOM 431 CD1 TYR A 31 1.135 -9.799 2.242 1.00 0.00 C ATOM 432 CD2 TYR A 31 0.681 -11.661 0.825 1.00 0.00 C ATOM 433 CE1 TYR A 31 0.944 -10.594 3.356 1.00 0.00 C ATOM 434 CE2 TYR A 31 0.487 -12.463 1.933 1.00 0.00 C ATOM 435 CZ TYR A 31 0.620 -11.925 3.196 1.00 0.00 C ATOM 436 OH TYR A 31 0.429 -12.721 4.303 1.00 0.00 O ATOM 0 H TYR A 31 -1.035 -10.398 -0.543 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.172 -7.868 0.200 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.461 -10.075 -1.110 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.076 -8.795 -0.083 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.388 -8.757 2.371 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.578 -12.086 -0.163 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.048 -10.176 4.346 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.233 -13.505 1.811 1.00 0.00 H new ATOM 0 HH TYR A 31 0.206 -13.631 4.017 1.00 0.00 H new ATOM 446 N GLU A 32 0.696 -8.509 -2.930 1.00 0.00 N ATOM 447 CA GLU A 32 0.992 -7.882 -4.213 1.00 0.00 C ATOM 448 C GLU A 32 0.028 -6.732 -4.492 1.00 0.00 C ATOM 449 O GLU A 32 0.447 -5.590 -4.679 1.00 0.00 O ATOM 450 CB GLU A 32 0.911 -8.914 -5.340 1.00 0.00 C ATOM 451 CG GLU A 32 1.450 -8.409 -6.668 1.00 0.00 C ATOM 452 CD GLU A 32 0.456 -7.532 -7.405 1.00 0.00 C ATOM 453 OE1 GLU A 32 -0.762 -7.714 -7.202 1.00 0.00 O ATOM 454 OE2 GLU A 32 0.898 -6.663 -8.186 1.00 0.00 O ATOM 0 H GLU A 32 0.838 -9.519 -2.911 1.00 0.00 H new ATOM 0 HA GLU A 32 2.005 -7.482 -4.168 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.467 -9.804 -5.047 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.128 -9.216 -5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.367 -7.845 -6.493 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.714 -9.260 -7.296 1.00 0.00 H new ATOM 461 N GLU A 33 -1.264 -7.043 -4.518 1.00 0.00 N ATOM 462 CA GLU A 33 -2.286 -6.036 -4.774 1.00 0.00 C ATOM 463 C GLU A 33 -1.995 -4.754 -3.999 1.00 0.00 C ATOM 464 O GLU A 33 -2.083 -3.654 -4.542 1.00 0.00 O ATOM 465 CB GLU A 33 -3.669 -6.571 -4.395 1.00 0.00 C ATOM 466 CG GLU A 33 -4.098 -7.780 -5.210 1.00 0.00 C ATOM 467 CD GLU A 33 -4.322 -7.448 -6.672 1.00 0.00 C ATOM 468 OE1 GLU A 33 -5.180 -6.588 -6.960 1.00 0.00 O ATOM 469 OE2 GLU A 33 -3.639 -8.048 -7.529 1.00 0.00 O ATOM 0 H GLU A 33 -1.627 -7.984 -4.365 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.273 -5.807 -5.840 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.669 -6.837 -3.338 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.404 -5.777 -4.524 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.337 -8.556 -5.130 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.016 -8.190 -4.789 1.00 0.00 H new ATOM 476 N ALA A 34 -1.648 -4.907 -2.725 1.00 0.00 N ATOM 477 CA ALA A 34 -1.342 -3.763 -1.874 1.00 0.00 C ATOM 478 C ALA A 34 -0.030 -3.106 -2.290 1.00 0.00 C ATOM 479 O ALA A 34 0.069 -1.880 -2.349 1.00 0.00 O ATOM 480 CB ALA A 34 -1.281 -4.192 -0.416 1.00 0.00 C ATOM 0 H ALA A 34 -1.572 -5.811 -2.260 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.139 -3.029 -1.992 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.052 -3.328 0.208 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.243 -4.609 -0.119 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.504 -4.946 -0.291 1.00 0.00 H new ATOM 486 N ILE A 35 0.974 -3.928 -2.575 1.00 0.00 N ATOM 487 CA ILE A 35 2.279 -3.425 -2.985 1.00 0.00 C ATOM 488 C ILE A 35 2.141 -2.339 -4.048 1.00 0.00 C ATOM 489 O ILE A 35 2.629 -1.222 -3.875 1.00 0.00 O ATOM 490 CB ILE A 35 3.170 -4.554 -3.535 1.00 0.00 C ATOM 491 CG1 ILE A 35 3.426 -5.604 -2.451 1.00 0.00 C ATOM 492 CG2 ILE A 35 4.485 -3.988 -4.051 1.00 0.00 C ATOM 493 CD1 ILE A 35 4.164 -6.825 -2.955 1.00 0.00 C ATOM 0 H ILE A 35 0.909 -4.945 -2.530 1.00 0.00 H new ATOM 0 HA ILE A 35 2.748 -3.003 -2.096 1.00 0.00 H new ATOM 0 HB ILE A 35 2.652 -5.033 -4.366 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.001 -5.149 -1.644 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.472 -5.916 -2.026 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.104 -4.798 -4.436 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.285 -3.273 -4.849 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.009 -3.487 -3.238 1.00 0.00 H new ATOM 0 HD11 ILE A 35 4.311 -7.526 -2.134 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.581 -7.304 -3.741 1.00 0.00 H new ATOM 0 HD13 ILE A 35 5.133 -6.525 -3.354 1.00 0.00 H new ATOM 505 N SER A 36 1.472 -2.675 -5.146 1.00 0.00 N ATOM 506 CA SER A 36 1.270 -1.730 -6.237 1.00 0.00 C ATOM 507 C SER A 36 0.473 -0.518 -5.766 1.00 0.00 C ATOM 508 O SER A 36 0.945 0.617 -5.841 1.00 0.00 O ATOM 509 CB SER A 36 0.548 -2.409 -7.402 1.00 0.00 C ATOM 510 OG SER A 36 -0.650 -3.029 -6.967 1.00 0.00 O ATOM 0 H SER A 36 1.061 -3.595 -5.303 1.00 0.00 H new ATOM 0 HA SER A 36 2.249 -1.390 -6.575 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.321 -1.672 -8.172 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.203 -3.153 -7.856 1.00 0.00 H new ATOM 0 HG SER A 36 -1.094 -3.455 -7.730 1.00 0.00 H new ATOM 516 N CYS A 37 -0.739 -0.767 -5.282 1.00 0.00 N ATOM 517 CA CYS A 37 -1.605 0.303 -4.799 1.00 0.00 C ATOM 518 C CYS A 37 -0.786 1.408 -4.138 1.00 0.00 C ATOM 519 O CYS A 37 -1.134 2.586 -4.221 1.00 0.00 O ATOM 520 CB CYS A 37 -2.631 -0.250 -3.810 1.00 0.00 C ATOM 521 SG CYS A 37 -3.659 1.015 -3.027 1.00 0.00 S ATOM 0 H CYS A 37 -1.144 -1.701 -5.214 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.130 0.727 -5.655 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.277 -0.957 -4.331 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.107 -0.809 -3.034 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.659 0.838 -1.739 1.00 0.00 H new ATOM 527 N HIS A 38 0.301 1.019 -3.481 1.00 0.00 N ATOM 528 CA HIS A 38 1.169 1.976 -2.804 1.00 0.00 C ATOM 529 C HIS A 38 2.047 2.717 -3.807 1.00 0.00 C ATOM 530 O HIS A 38 2.070 3.948 -3.836 1.00 0.00 O ATOM 531 CB HIS A 38 2.044 1.263 -1.772 1.00 0.00 C ATOM 532 CG HIS A 38 1.286 0.785 -0.572 1.00 0.00 C ATOM 533 ND1 HIS A 38 0.671 1.640 0.319 1.00 0.00 N ATOM 534 CD2 HIS A 38 1.043 -0.467 -0.118 1.00 0.00 C ATOM 535 CE1 HIS A 38 0.085 0.934 1.270 1.00 0.00 C ATOM 536 NE2 HIS A 38 0.295 -0.347 1.028 1.00 0.00 N ATOM 0 H HIS A 38 0.602 0.048 -3.403 1.00 0.00 H new ATOM 0 HA HIS A 38 0.538 2.703 -2.293 1.00 0.00 H new ATOM 0 HB2 HIS A 38 2.531 0.411 -2.247 1.00 0.00 H new ATOM 0 HB3 HIS A 38 2.833 1.941 -1.447 1.00 0.00 H new ATOM 0 HD1 HIS A 38 0.669 2.658 0.254 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.375 -1.389 -0.572 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.471 1.336 2.104 1.00 0.00 H new ATOM 545 N ARG A 39 2.769 1.961 -4.627 1.00 0.00 N ATOM 546 CA ARG A 39 3.650 2.546 -5.630 1.00 0.00 C ATOM 547 C ARG A 39 2.941 3.663 -6.391 1.00 0.00 C ATOM 548 O ARG A 39 3.583 4.531 -6.982 1.00 0.00 O ATOM 549 CB ARG A 39 4.129 1.472 -6.609 1.00 0.00 C ATOM 550 CG ARG A 39 4.903 0.345 -5.945 1.00 0.00 C ATOM 551 CD ARG A 39 5.322 -0.712 -6.954 1.00 0.00 C ATOM 552 NE ARG A 39 6.489 -0.298 -7.728 1.00 0.00 N ATOM 553 CZ ARG A 39 6.794 -0.797 -8.921 1.00 0.00 C ATOM 554 NH1 ARG A 39 6.023 -1.723 -9.474 1.00 0.00 N ATOM 555 NH2 ARG A 39 7.873 -0.369 -9.564 1.00 0.00 N ATOM 0 H ARG A 39 2.761 0.941 -4.616 1.00 0.00 H new ATOM 0 HA ARG A 39 4.513 2.970 -5.116 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.266 1.053 -7.127 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.760 1.938 -7.366 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.787 0.750 -5.452 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.288 -0.113 -5.170 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.545 -1.643 -6.432 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.492 -0.916 -7.631 1.00 0.00 H new ATOM 0 HE ARG A 39 7.103 0.413 -7.331 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.192 -2.055 -8.983 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.260 -2.104 -10.390 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.469 0.343 -9.142 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.107 -0.753 -10.480 1.00 0.00 H new ATOM 569 N LYS A 40 1.613 3.633 -6.373 1.00 0.00 N ATOM 570 CA LYS A 40 0.815 4.642 -7.060 1.00 0.00 C ATOM 571 C LYS A 40 0.713 5.916 -6.226 1.00 0.00 C ATOM 572 O LYS A 40 1.096 6.995 -6.675 1.00 0.00 O ATOM 573 CB LYS A 40 -0.585 4.101 -7.356 1.00 0.00 C ATOM 574 CG LYS A 40 -0.694 3.399 -8.699 1.00 0.00 C ATOM 575 CD LYS A 40 -0.381 1.917 -8.581 1.00 0.00 C ATOM 576 CE LYS A 40 -0.385 1.237 -9.941 1.00 0.00 C ATOM 577 NZ LYS A 40 -1.767 1.031 -10.455 1.00 0.00 N ATOM 0 H LYS A 40 1.066 2.920 -5.890 1.00 0.00 H new ATOM 0 HA LYS A 40 1.311 4.882 -8.000 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.871 3.405 -6.567 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.298 4.925 -7.327 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.700 3.529 -9.098 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.008 3.861 -9.409 1.00 0.00 H new ATOM 0 HD2 LYS A 40 0.593 1.786 -8.110 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.115 1.439 -7.932 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.180 1.841 -10.651 1.00 0.00 H new ATOM 0 HE3 LYS A 40 0.122 0.275 -9.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -1.726 0.565 -11.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.299 0.433 -9.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -2.243 1.951 -10.550 1.00 0.00 H new ATOM 591 N ALA A 41 0.195 5.781 -5.009 1.00 0.00 N ATOM 592 CA ALA A 41 0.046 6.920 -4.112 1.00 0.00 C ATOM 593 C ALA A 41 1.371 7.654 -3.933 1.00 0.00 C ATOM 594 O ALA A 41 1.448 8.870 -4.111 1.00 0.00 O ATOM 595 CB ALA A 41 -0.492 6.463 -2.764 1.00 0.00 C ATOM 0 H ALA A 41 -0.128 4.894 -4.622 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.666 7.613 -4.559 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.598 7.324 -2.104 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.464 5.989 -2.902 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.200 5.748 -2.319 1.00 0.00 H new ATOM 601 N THR A 42 2.413 6.908 -3.578 1.00 0.00 N ATOM 602 CA THR A 42 3.734 7.489 -3.373 1.00 0.00 C ATOM 603 C THR A 42 4.116 8.408 -4.528 1.00 0.00 C ATOM 604 O THR A 42 4.659 9.493 -4.318 1.00 0.00 O ATOM 605 CB THR A 42 4.810 6.397 -3.223 1.00 0.00 C ATOM 606 OG1 THR A 42 4.675 5.429 -4.270 1.00 0.00 O ATOM 607 CG2 THR A 42 4.698 5.709 -1.871 1.00 0.00 C ATOM 0 H THR A 42 2.367 5.900 -3.427 1.00 0.00 H new ATOM 0 HA THR A 42 3.685 8.070 -2.452 1.00 0.00 H new ATOM 0 HB THR A 42 5.789 6.871 -3.291 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.898 4.860 -4.091 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.468 4.942 -1.788 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.831 6.444 -1.077 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.715 5.248 -1.778 1.00 0.00 H new ATOM 615 N THR A 43 3.828 7.968 -5.749 1.00 0.00 N ATOM 616 CA THR A 43 4.141 8.751 -6.937 1.00 0.00 C ATOM 617 C THR A 43 3.396 10.080 -6.933 1.00 0.00 C ATOM 618 O THR A 43 4.008 11.147 -7.002 1.00 0.00 O ATOM 619 CB THR A 43 3.790 7.983 -8.225 1.00 0.00 C ATOM 620 OG1 THR A 43 4.538 6.763 -8.288 1.00 0.00 O ATOM 621 CG2 THR A 43 4.082 8.827 -9.456 1.00 0.00 C ATOM 0 H THR A 43 3.378 7.073 -5.941 1.00 0.00 H new ATOM 0 HA THR A 43 5.214 8.940 -6.916 1.00 0.00 H new ATOM 0 HB THR A 43 2.724 7.755 -8.206 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.073 6.068 -7.777 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.826 8.263 -10.353 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.488 9.740 -9.420 1.00 0.00 H new ATOM 0 HG23 THR A 43 5.141 9.083 -9.479 1.00 0.00 H new ATOM 629 N TYR A 44 2.072 10.010 -6.850 1.00 0.00 N ATOM 630 CA TYR A 44 1.242 11.209 -6.837 1.00 0.00 C ATOM 631 C TYR A 44 1.723 12.194 -5.776 1.00 0.00 C ATOM 632 O TYR A 44 1.901 13.382 -6.048 1.00 0.00 O ATOM 633 CB TYR A 44 -0.220 10.841 -6.582 1.00 0.00 C ATOM 634 CG TYR A 44 -1.144 12.036 -6.524 1.00 0.00 C ATOM 635 CD1 TYR A 44 -1.054 13.055 -7.464 1.00 0.00 C ATOM 636 CD2 TYR A 44 -2.108 12.146 -5.528 1.00 0.00 C ATOM 637 CE1 TYR A 44 -1.896 14.149 -7.414 1.00 0.00 C ATOM 638 CE2 TYR A 44 -2.955 13.236 -5.472 1.00 0.00 C ATOM 639 CZ TYR A 44 -2.845 14.235 -6.417 1.00 0.00 C ATOM 640 OH TYR A 44 -3.686 15.323 -6.363 1.00 0.00 O ATOM 0 H TYR A 44 1.550 9.135 -6.791 1.00 0.00 H new ATOM 0 HA TYR A 44 1.324 11.686 -7.813 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.559 10.168 -7.370 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.289 10.293 -5.642 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.313 12.991 -8.247 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.196 11.366 -4.786 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.812 14.933 -8.152 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.699 13.306 -4.693 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.411 15.208 -7.012 1.00 0.00 H new ATOM 650 N LEU A 45 1.933 11.691 -4.564 1.00 0.00 N ATOM 651 CA LEU A 45 2.394 12.525 -3.459 1.00 0.00 C ATOM 652 C LEU A 45 3.726 13.188 -3.797 1.00 0.00 C ATOM 653 O LEU A 45 3.970 14.336 -3.426 1.00 0.00 O ATOM 654 CB LEU A 45 2.537 11.687 -2.188 1.00 0.00 C ATOM 655 CG LEU A 45 1.244 11.404 -1.421 1.00 0.00 C ATOM 656 CD1 LEU A 45 1.508 10.460 -0.258 1.00 0.00 C ATOM 657 CD2 LEU A 45 0.623 12.702 -0.926 1.00 0.00 C ATOM 0 H LEU A 45 1.791 10.710 -4.322 1.00 0.00 H new ATOM 0 HA LEU A 45 1.652 13.306 -3.291 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.994 10.734 -2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.230 12.196 -1.517 1.00 0.00 H new ATOM 0 HG LEU A 45 0.540 10.923 -2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.577 10.271 0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.907 9.519 -0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.230 10.913 0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.296 12.482 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.323 13.211 -0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.396 13.345 -1.777 1.00 0.00 H new ATOM 669 N SER A 46 4.582 12.458 -4.504 1.00 0.00 N ATOM 670 CA SER A 46 5.890 12.975 -4.891 1.00 0.00 C ATOM 671 C SER A 46 5.753 14.051 -5.964 1.00 0.00 C ATOM 672 O SER A 46 6.647 14.876 -6.147 1.00 0.00 O ATOM 673 CB SER A 46 6.780 11.840 -5.401 1.00 0.00 C ATOM 674 OG SER A 46 8.130 12.258 -5.505 1.00 0.00 O ATOM 0 H SER A 46 4.394 11.507 -4.821 1.00 0.00 H new ATOM 0 HA SER A 46 6.352 13.421 -4.010 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.711 10.988 -4.725 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.424 11.504 -6.375 1.00 0.00 H new ATOM 0 HG SER A 46 8.678 11.514 -5.831 1.00 0.00 H new ATOM 680 N GLU A 47 4.626 14.035 -6.669 1.00 0.00 N ATOM 681 CA GLU A 47 4.372 15.008 -7.724 1.00 0.00 C ATOM 682 C GLU A 47 3.816 16.306 -7.145 1.00 0.00 C ATOM 683 O GLU A 47 3.887 17.360 -7.776 1.00 0.00 O ATOM 684 CB GLU A 47 3.395 14.436 -8.753 1.00 0.00 C ATOM 685 CG GLU A 47 3.934 13.227 -9.498 1.00 0.00 C ATOM 686 CD GLU A 47 3.151 12.923 -10.761 1.00 0.00 C ATOM 687 OE1 GLU A 47 3.108 13.791 -11.657 1.00 0.00 O ATOM 688 OE2 GLU A 47 2.581 11.815 -10.852 1.00 0.00 O ATOM 0 H GLU A 47 3.875 13.359 -6.528 1.00 0.00 H new ATOM 0 HA GLU A 47 5.320 15.226 -8.216 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.470 14.158 -8.248 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.143 15.214 -9.474 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.979 13.400 -9.756 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.907 12.358 -8.840 1.00 0.00 H new ATOM 695 N ALA A 48 3.263 16.220 -5.940 1.00 0.00 N ATOM 696 CA ALA A 48 2.696 17.386 -5.274 1.00 0.00 C ATOM 697 C ALA A 48 3.792 18.334 -4.799 1.00 0.00 C ATOM 698 O ALA A 48 3.857 19.486 -5.227 1.00 0.00 O ATOM 699 CB ALA A 48 1.825 16.954 -4.104 1.00 0.00 C ATOM 0 H ALA A 48 3.196 15.354 -5.405 1.00 0.00 H new ATOM 0 HA ALA A 48 2.077 17.920 -5.995 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.408 17.835 -3.616 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.014 16.323 -4.468 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.428 16.394 -3.389 1.00 0.00 H new ATOM 705 N MET A 49 4.650 17.841 -3.912 1.00 0.00 N ATOM 706 CA MET A 49 5.744 18.645 -3.380 1.00 0.00 C ATOM 707 C MET A 49 6.591 19.226 -4.508 1.00 0.00 C ATOM 708 O MET A 49 7.240 20.259 -4.342 1.00 0.00 O ATOM 709 CB MET A 49 6.620 17.802 -2.451 1.00 0.00 C ATOM 710 CG MET A 49 7.078 16.492 -3.071 1.00 0.00 C ATOM 711 SD MET A 49 7.721 15.333 -1.849 1.00 0.00 S ATOM 712 CE MET A 49 6.403 15.355 -0.636 1.00 0.00 C ATOM 0 H MET A 49 4.609 16.890 -3.547 1.00 0.00 H new ATOM 0 HA MET A 49 5.313 19.469 -2.812 1.00 0.00 H new ATOM 0 HB2 MET A 49 7.496 18.384 -2.163 1.00 0.00 H new ATOM 0 HB3 MET A 49 6.065 17.588 -1.537 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.242 16.032 -3.598 1.00 0.00 H new ATOM 0 HG3 MET A 49 7.849 16.696 -3.814 1.00 0.00 H new ATOM 0 HE1 MET A 49 6.341 14.382 -0.149 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.608 16.122 0.111 1.00 0.00 H new ATOM 0 HE3 MET A 49 5.457 15.574 -1.131 1.00 0.00 H new ATOM 722 N LYS A 50 6.581 18.556 -5.655 1.00 0.00 N ATOM 723 CA LYS A 50 7.347 19.005 -6.811 1.00 0.00 C ATOM 724 C LYS A 50 6.812 20.334 -7.335 1.00 0.00 C ATOM 725 O LYS A 50 7.401 20.943 -8.229 1.00 0.00 O ATOM 726 CB LYS A 50 7.300 17.952 -7.920 1.00 0.00 C ATOM 727 CG LYS A 50 8.377 16.889 -7.795 1.00 0.00 C ATOM 728 CD LYS A 50 8.219 15.808 -8.851 1.00 0.00 C ATOM 729 CE LYS A 50 9.241 14.696 -8.668 1.00 0.00 C ATOM 730 NZ LYS A 50 10.630 15.173 -8.911 1.00 0.00 N ATOM 0 H LYS A 50 6.050 17.699 -5.809 1.00 0.00 H new ATOM 0 HA LYS A 50 8.381 19.148 -6.497 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.323 17.470 -7.910 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.401 18.448 -8.885 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.359 17.352 -7.891 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.332 16.439 -6.803 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.213 15.391 -8.799 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.331 16.247 -9.842 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.166 14.297 -7.656 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.013 13.878 -9.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.285 14.366 -8.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.684 15.623 -9.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.893 15.864 -8.179 1.00 0.00 H new ATOM 744 N LEU A 51 5.694 20.780 -6.772 1.00 0.00 N ATOM 745 CA LEU A 51 5.080 22.039 -7.181 1.00 0.00 C ATOM 746 C LEU A 51 5.065 23.037 -6.028 1.00 0.00 C ATOM 747 O LEU A 51 5.731 24.072 -6.079 1.00 0.00 O ATOM 748 CB LEU A 51 3.655 21.795 -7.680 1.00 0.00 C ATOM 749 CG LEU A 51 3.507 21.495 -9.172 1.00 0.00 C ATOM 750 CD1 LEU A 51 4.139 20.154 -9.511 1.00 0.00 C ATOM 751 CD2 LEU A 51 2.041 21.514 -9.577 1.00 0.00 C ATOM 0 H LEU A 51 5.194 20.289 -6.031 1.00 0.00 H new ATOM 0 HA LEU A 51 5.675 22.459 -7.992 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.233 20.961 -7.119 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.054 22.674 -7.445 1.00 0.00 H new ATOM 0 HG LEU A 51 4.028 22.271 -9.733 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.024 19.957 -10.577 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.199 20.177 -9.258 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.647 19.366 -8.941 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.955 21.299 -10.642 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.497 20.760 -9.009 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.619 22.498 -9.371 1.00 0.00 H new ATOM 763 N THR A 52 4.301 22.719 -4.987 1.00 0.00 N ATOM 764 CA THR A 52 4.200 23.587 -3.821 1.00 0.00 C ATOM 765 C THR A 52 5.554 24.187 -3.462 1.00 0.00 C ATOM 766 O THR A 52 6.558 23.478 -3.392 1.00 0.00 O ATOM 767 CB THR A 52 3.648 22.826 -2.601 1.00 0.00 C ATOM 768 OG1 THR A 52 3.028 23.742 -1.691 1.00 0.00 O ATOM 769 CG2 THR A 52 4.759 22.069 -1.888 1.00 0.00 C ATOM 0 H THR A 52 3.744 21.867 -4.928 1.00 0.00 H new ATOM 0 HA THR A 52 3.510 24.389 -4.083 1.00 0.00 H new ATOM 0 HB THR A 52 2.908 22.108 -2.953 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.303 23.288 -1.213 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.346 21.539 -1.030 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.209 21.352 -2.574 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.519 22.773 -1.548 1.00 0.00 H new ATOM 777 N GLU A 53 5.575 25.497 -3.234 1.00 0.00 N ATOM 778 CA GLU A 53 6.808 26.190 -2.882 1.00 0.00 C ATOM 779 C GLU A 53 6.805 26.594 -1.411 1.00 0.00 C ATOM 780 O GLU A 53 7.558 27.475 -0.996 1.00 0.00 O ATOM 781 CB GLU A 53 6.992 27.429 -3.762 1.00 0.00 C ATOM 782 CG GLU A 53 7.034 27.119 -5.249 1.00 0.00 C ATOM 783 CD GLU A 53 8.038 26.035 -5.590 1.00 0.00 C ATOM 784 OE1 GLU A 53 7.838 24.883 -5.153 1.00 0.00 O ATOM 785 OE2 GLU A 53 9.023 26.339 -6.295 1.00 0.00 O ATOM 0 H GLU A 53 4.753 26.098 -3.287 1.00 0.00 H new ATOM 0 HA GLU A 53 7.640 25.506 -3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.177 28.126 -3.568 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.916 27.932 -3.478 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.043 26.808 -5.580 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.284 28.026 -5.799 1.00 0.00 H new ATOM 792 N SER A 54 5.950 25.944 -0.627 1.00 0.00 N ATOM 793 CA SER A 54 5.844 26.237 0.797 1.00 0.00 C ATOM 794 C SER A 54 6.547 25.167 1.626 1.00 0.00 C ATOM 795 O SER A 54 6.624 24.006 1.224 1.00 0.00 O ATOM 796 CB SER A 54 4.375 26.336 1.211 1.00 0.00 C ATOM 797 OG SER A 54 4.227 27.119 2.383 1.00 0.00 O ATOM 0 H SER A 54 5.321 25.211 -0.955 1.00 0.00 H new ATOM 0 HA SER A 54 6.332 27.194 0.983 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.794 26.776 0.400 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.975 25.337 1.384 1.00 0.00 H new ATOM 0 HG SER A 54 3.279 27.168 2.626 1.00 0.00 H new ATOM 803 N GLU A 55 7.059 25.566 2.786 1.00 0.00 N ATOM 804 CA GLU A 55 7.756 24.641 3.672 1.00 0.00 C ATOM 805 C GLU A 55 6.776 23.675 4.330 1.00 0.00 C ATOM 806 O GLU A 55 6.887 22.459 4.172 1.00 0.00 O ATOM 807 CB GLU A 55 8.528 25.412 4.745 1.00 0.00 C ATOM 808 CG GLU A 55 9.655 24.612 5.376 1.00 0.00 C ATOM 809 CD GLU A 55 10.389 25.388 6.453 1.00 0.00 C ATOM 810 OE1 GLU A 55 11.084 26.367 6.110 1.00 0.00 O ATOM 811 OE2 GLU A 55 10.268 25.016 7.639 1.00 0.00 O ATOM 0 H GLU A 55 7.004 26.523 3.134 1.00 0.00 H new ATOM 0 HA GLU A 55 8.460 24.064 3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.941 26.319 4.303 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.834 25.725 5.526 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.249 23.696 5.806 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.362 24.315 4.602 1.00 0.00 H new ATOM 818 N GLN A 56 5.818 24.225 5.069 1.00 0.00 N ATOM 819 CA GLN A 56 4.819 23.411 5.753 1.00 0.00 C ATOM 820 C GLN A 56 4.172 22.421 4.790 1.00 0.00 C ATOM 821 O GLN A 56 4.265 21.208 4.977 1.00 0.00 O ATOM 822 CB GLN A 56 3.747 24.303 6.381 1.00 0.00 C ATOM 823 CG GLN A 56 4.308 25.351 7.330 1.00 0.00 C ATOM 824 CD GLN A 56 3.334 25.720 8.433 1.00 0.00 C ATOM 825 OE1 GLN A 56 2.515 26.625 8.275 1.00 0.00 O ATOM 826 NE2 GLN A 56 3.420 25.019 9.557 1.00 0.00 N ATOM 0 H GLN A 56 5.712 25.230 5.210 1.00 0.00 H new ATOM 0 HA GLN A 56 5.322 22.849 6.540 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.192 24.803 5.588 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.037 23.678 6.922 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.230 24.977 7.775 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.567 26.246 6.765 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.115 24.277 9.644 1.00 0.00 H new ATOM 0 HE22 GLN A 56 2.791 25.222 10.334 1.00 0.00 H new ATOM 835 N ALA A 57 3.517 22.946 3.760 1.00 0.00 N ATOM 836 CA ALA A 57 2.856 22.108 2.767 1.00 0.00 C ATOM 837 C ALA A 57 3.717 20.903 2.406 1.00 0.00 C ATOM 838 O ALA A 57 3.286 19.757 2.538 1.00 0.00 O ATOM 839 CB ALA A 57 2.532 22.921 1.522 1.00 0.00 C ATOM 0 H ALA A 57 3.430 23.948 3.591 1.00 0.00 H new ATOM 0 HA ALA A 57 1.925 21.740 3.199 1.00 0.00 H new ATOM 0 HB1 ALA A 57 2.039 22.283 0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.871 23.746 1.788 1.00 0.00 H new ATOM 0 HB3 ALA A 57 3.454 23.317 1.096 1.00 0.00 H new ATOM 845 N HIS A 58 4.936 21.168 1.948 1.00 0.00 N ATOM 846 CA HIS A 58 5.858 20.104 1.567 1.00 0.00 C ATOM 847 C HIS A 58 6.024 19.097 2.701 1.00 0.00 C ATOM 848 O HIS A 58 5.803 17.899 2.518 1.00 0.00 O ATOM 849 CB HIS A 58 7.219 20.690 1.188 1.00 0.00 C ATOM 850 CG HIS A 58 8.223 19.657 0.778 1.00 0.00 C ATOM 851 ND1 HIS A 58 8.704 18.693 1.638 1.00 0.00 N ATOM 852 CD2 HIS A 58 8.836 19.441 -0.409 1.00 0.00 C ATOM 853 CE1 HIS A 58 9.571 17.929 0.999 1.00 0.00 C ATOM 854 NE2 HIS A 58 9.669 18.361 -0.246 1.00 0.00 N ATOM 0 H HIS A 58 5.308 22.110 1.832 1.00 0.00 H new ATOM 0 HA HIS A 58 5.440 19.587 0.703 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.085 21.399 0.371 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.613 21.251 2.036 1.00 0.00 H new ATOM 0 HD2 HIS A 58 8.696 20.011 -1.315 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.109 17.093 1.422 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.266 17.958 -0.968 1.00 0.00 H new ATOM 863 N LEU A 59 6.414 19.589 3.871 1.00 0.00 N ATOM 864 CA LEU A 59 6.610 18.732 5.035 1.00 0.00 C ATOM 865 C LEU A 59 5.422 17.795 5.227 1.00 0.00 C ATOM 866 O LEU A 59 5.588 16.579 5.328 1.00 0.00 O ATOM 867 CB LEU A 59 6.812 19.582 6.291 1.00 0.00 C ATOM 868 CG LEU A 59 8.256 19.965 6.617 1.00 0.00 C ATOM 869 CD1 LEU A 59 8.962 20.491 5.377 1.00 0.00 C ATOM 870 CD2 LEU A 59 8.294 20.999 7.733 1.00 0.00 C ATOM 0 H LEU A 59 6.601 20.578 4.039 1.00 0.00 H new ATOM 0 HA LEU A 59 7.502 18.129 4.865 1.00 0.00 H new ATOM 0 HB2 LEU A 59 6.230 20.497 6.184 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.400 19.040 7.142 1.00 0.00 H new ATOM 0 HG LEU A 59 8.780 19.072 6.957 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.988 20.758 5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.966 19.720 4.606 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.438 21.372 5.006 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.329 21.260 7.952 1.00 0.00 H new ATOM 0 HD22 LEU A 59 7.753 21.892 7.420 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.827 20.587 8.627 1.00 0.00 H new ATOM 882 N SER A 60 4.224 18.368 5.275 1.00 0.00 N ATOM 883 CA SER A 60 3.008 17.584 5.456 1.00 0.00 C ATOM 884 C SER A 60 2.979 16.398 4.498 1.00 0.00 C ATOM 885 O SER A 60 2.413 15.348 4.807 1.00 0.00 O ATOM 886 CB SER A 60 1.774 18.461 5.238 1.00 0.00 C ATOM 887 OG SER A 60 1.484 19.230 6.392 1.00 0.00 O ATOM 0 H SER A 60 4.069 19.373 5.191 1.00 0.00 H new ATOM 0 HA SER A 60 2.999 17.204 6.477 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.940 19.123 4.388 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.918 17.834 4.991 1.00 0.00 H new ATOM 0 HG SER A 60 0.692 19.783 6.226 1.00 0.00 H new ATOM 893 N LEU A 61 3.593 16.571 3.333 1.00 0.00 N ATOM 894 CA LEU A 61 3.638 15.515 2.327 1.00 0.00 C ATOM 895 C LEU A 61 4.805 14.567 2.585 1.00 0.00 C ATOM 896 O LEU A 61 4.606 13.379 2.837 1.00 0.00 O ATOM 897 CB LEU A 61 3.759 16.121 0.928 1.00 0.00 C ATOM 898 CG LEU A 61 2.756 17.223 0.584 1.00 0.00 C ATOM 899 CD1 LEU A 61 3.321 18.144 -0.486 1.00 0.00 C ATOM 900 CD2 LEU A 61 1.436 16.619 0.129 1.00 0.00 C ATOM 0 H LEU A 61 4.067 17.432 3.061 1.00 0.00 H new ATOM 0 HA LEU A 61 2.710 14.946 2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.765 16.525 0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.653 15.320 0.197 1.00 0.00 H new ATOM 0 HG LEU A 61 2.572 17.814 1.481 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.593 18.922 -0.718 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.240 18.604 -0.122 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.535 17.568 -1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.734 17.418 -0.112 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.603 16.004 -0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.024 16.002 0.927 1.00 0.00 H new ATOM 912 N GLU A 62 6.020 15.102 2.524 1.00 0.00 N ATOM 913 CA GLU A 62 7.218 14.302 2.752 1.00 0.00 C ATOM 914 C GLU A 62 6.994 13.296 3.878 1.00 0.00 C ATOM 915 O GLU A 62 7.471 12.162 3.816 1.00 0.00 O ATOM 916 CB GLU A 62 8.405 15.207 3.091 1.00 0.00 C ATOM 917 CG GLU A 62 8.536 15.509 4.575 1.00 0.00 C ATOM 918 CD GLU A 62 9.815 16.251 4.908 1.00 0.00 C ATOM 919 OE1 GLU A 62 10.131 17.235 4.207 1.00 0.00 O ATOM 920 OE2 GLU A 62 10.501 15.848 5.871 1.00 0.00 O ATOM 0 H GLU A 62 6.201 16.085 2.319 1.00 0.00 H new ATOM 0 HA GLU A 62 7.438 13.754 1.836 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.323 14.734 2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.303 16.145 2.545 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.681 16.103 4.898 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.505 14.575 5.136 1.00 0.00 H new ATOM 927 N LEU A 63 6.265 13.719 4.905 1.00 0.00 N ATOM 928 CA LEU A 63 5.977 12.856 6.045 1.00 0.00 C ATOM 929 C LEU A 63 4.959 11.783 5.673 1.00 0.00 C ATOM 930 O LEU A 63 5.246 10.589 5.752 1.00 0.00 O ATOM 931 CB LEU A 63 5.454 13.686 7.219 1.00 0.00 C ATOM 932 CG LEU A 63 6.496 14.509 7.977 1.00 0.00 C ATOM 933 CD1 LEU A 63 5.823 15.423 8.988 1.00 0.00 C ATOM 934 CD2 LEU A 63 7.498 13.594 8.666 1.00 0.00 C ATOM 0 H LEU A 63 5.863 14.654 4.972 1.00 0.00 H new ATOM 0 HA LEU A 63 6.904 12.364 6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.687 14.364 6.845 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.968 13.013 7.925 1.00 0.00 H new ATOM 0 HG LEU A 63 7.033 15.130 7.260 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.581 16.000 9.517 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.145 16.102 8.470 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.259 14.823 9.702 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.233 14.196 9.201 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.976 12.948 9.371 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.005 12.982 7.920 1.00 0.00 H new ATOM 946 N GLN A 64 3.772 12.217 5.264 1.00 0.00 N ATOM 947 CA GLN A 64 2.712 11.293 4.878 1.00 0.00 C ATOM 948 C GLN A 64 3.231 10.250 3.894 1.00 0.00 C ATOM 949 O GLN A 64 2.784 9.104 3.896 1.00 0.00 O ATOM 950 CB GLN A 64 1.540 12.057 4.259 1.00 0.00 C ATOM 951 CG GLN A 64 0.288 11.213 4.083 1.00 0.00 C ATOM 952 CD GLN A 64 -0.468 11.014 5.382 1.00 0.00 C ATOM 953 OE1 GLN A 64 -0.491 9.916 5.938 1.00 0.00 O ATOM 954 NE2 GLN A 64 -1.093 12.078 5.873 1.00 0.00 N ATOM 0 H GLN A 64 3.520 13.203 5.191 1.00 0.00 H new ATOM 0 HA GLN A 64 2.368 10.780 5.776 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.304 12.915 4.888 1.00 0.00 H new ATOM 0 HB3 GLN A 64 1.844 12.448 3.288 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.368 11.690 3.355 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.564 10.241 3.675 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.047 12.969 5.379 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.618 12.004 6.744 1.00 0.00 H new ATOM 963 N ARG A 65 4.178 10.657 3.054 1.00 0.00 N ATOM 964 CA ARG A 65 4.757 9.758 2.063 1.00 0.00 C ATOM 965 C ARG A 65 5.554 8.645 2.738 1.00 0.00 C ATOM 966 O ARG A 65 5.522 7.494 2.303 1.00 0.00 O ATOM 967 CB ARG A 65 5.659 10.535 1.103 1.00 0.00 C ATOM 968 CG ARG A 65 6.131 9.716 -0.087 1.00 0.00 C ATOM 969 CD ARG A 65 6.357 10.591 -1.311 1.00 0.00 C ATOM 970 NE ARG A 65 7.341 10.013 -2.222 1.00 0.00 N ATOM 971 CZ ARG A 65 8.654 10.096 -2.036 1.00 0.00 C ATOM 972 NH1 ARG A 65 9.137 10.729 -0.976 1.00 0.00 N ATOM 973 NH2 ARG A 65 9.486 9.544 -2.910 1.00 0.00 N ATOM 0 H ARG A 65 4.560 11.603 3.040 1.00 0.00 H new ATOM 0 HA ARG A 65 3.941 9.307 1.499 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.120 11.410 0.740 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.528 10.900 1.650 1.00 0.00 H new ATOM 0 HG2 ARG A 65 7.057 9.200 0.169 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.392 8.949 -0.318 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.413 10.729 -1.837 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.692 11.578 -0.994 1.00 0.00 H new ATOM 0 HE ARG A 65 7.002 9.518 -3.047 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.500 11.153 -0.301 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.145 10.792 -0.835 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.118 9.055 -3.726 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.494 9.609 -2.766 1.00 0.00 H new ATOM 987 N ASP A 66 6.268 8.998 3.801 1.00 0.00 N ATOM 988 CA ASP A 66 7.073 8.029 4.537 1.00 0.00 C ATOM 989 C ASP A 66 6.319 6.714 4.708 1.00 0.00 C ATOM 990 O ASP A 66 6.730 5.679 4.183 1.00 0.00 O ATOM 991 CB ASP A 66 7.460 8.591 5.905 1.00 0.00 C ATOM 992 CG ASP A 66 8.117 7.552 6.793 1.00 0.00 C ATOM 993 OD1 ASP A 66 9.338 7.337 6.650 1.00 0.00 O ATOM 994 OD2 ASP A 66 7.409 6.954 7.630 1.00 0.00 O ATOM 0 H ASP A 66 6.306 9.947 4.173 1.00 0.00 H new ATOM 0 HA ASP A 66 7.979 7.835 3.963 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.140 9.432 5.770 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.570 8.978 6.401 1.00 0.00 H new ATOM 999 N SER A 67 5.215 6.762 5.446 1.00 0.00 N ATOM 1000 CA SER A 67 4.406 5.574 5.691 1.00 0.00 C ATOM 1001 C SER A 67 4.117 4.836 4.387 1.00 0.00 C ATOM 1002 O SER A 67 4.470 3.666 4.231 1.00 0.00 O ATOM 1003 CB SER A 67 3.092 5.957 6.375 1.00 0.00 C ATOM 1004 OG SER A 67 2.347 6.860 5.578 1.00 0.00 O ATOM 0 H SER A 67 4.860 7.611 5.885 1.00 0.00 H new ATOM 0 HA SER A 67 4.969 4.911 6.348 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.501 5.060 6.563 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.301 6.410 7.344 1.00 0.00 H new ATOM 0 HG SER A 67 2.937 7.570 5.250 1.00 0.00 H new ATOM 1010 N HIS A 68 3.473 5.527 3.453 1.00 0.00 N ATOM 1011 CA HIS A 68 3.136 4.939 2.162 1.00 0.00 C ATOM 1012 C HIS A 68 4.250 4.015 1.679 1.00 0.00 C ATOM 1013 O HIS A 68 4.002 3.059 0.944 1.00 0.00 O ATOM 1014 CB HIS A 68 2.883 6.036 1.127 1.00 0.00 C ATOM 1015 CG HIS A 68 1.468 6.528 1.109 1.00 0.00 C ATOM 1016 ND1 HIS A 68 0.392 5.712 0.830 1.00 0.00 N ATOM 1017 CD2 HIS A 68 0.956 7.759 1.340 1.00 0.00 C ATOM 1018 CE1 HIS A 68 -0.721 6.421 0.888 1.00 0.00 C ATOM 1019 NE2 HIS A 68 -0.407 7.667 1.196 1.00 0.00 N ATOM 0 H HIS A 68 3.174 6.496 3.566 1.00 0.00 H new ATOM 0 HA HIS A 68 2.227 4.351 2.285 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.548 6.875 1.329 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.140 5.657 0.138 1.00 0.00 H new ATOM 0 HD1 HIS A 68 0.447 4.717 0.613 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.515 8.648 1.591 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.719 6.046 0.713 1.00 0.00 H new ATOM 1028 N MET A 69 5.478 4.308 2.096 1.00 0.00 N ATOM 1029 CA MET A 69 6.629 3.503 1.705 1.00 0.00 C ATOM 1030 C MET A 69 6.969 2.481 2.785 1.00 0.00 C ATOM 1031 O MET A 69 7.299 1.333 2.486 1.00 0.00 O ATOM 1032 CB MET A 69 7.839 4.401 1.438 1.00 0.00 C ATOM 1033 CG MET A 69 7.789 5.104 0.092 1.00 0.00 C ATOM 1034 SD MET A 69 8.605 4.165 -1.213 1.00 0.00 S ATOM 1035 CE MET A 69 8.071 2.501 -0.818 1.00 0.00 C ATOM 0 H MET A 69 5.701 5.096 2.704 1.00 0.00 H new ATOM 0 HA MET A 69 6.373 2.968 0.790 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.907 5.150 2.227 1.00 0.00 H new ATOM 0 HB3 MET A 69 8.746 3.799 1.491 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.749 5.276 -0.185 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.261 6.082 0.180 1.00 0.00 H new ATOM 0 HE1 MET A 69 8.451 1.809 -1.569 1.00 0.00 H new ATOM 0 HE2 MET A 69 8.455 2.219 0.163 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.982 2.461 -0.807 1.00 0.00 H new ATOM 1045 N LYS A 70 6.886 2.904 4.042 1.00 0.00 N ATOM 1046 CA LYS A 70 7.183 2.025 5.167 1.00 0.00 C ATOM 1047 C LYS A 70 6.368 0.739 5.083 1.00 0.00 C ATOM 1048 O LYS A 70 6.892 -0.353 5.298 1.00 0.00 O ATOM 1049 CB LYS A 70 6.893 2.740 6.489 1.00 0.00 C ATOM 1050 CG LYS A 70 5.479 2.523 7.000 1.00 0.00 C ATOM 1051 CD LYS A 70 5.215 3.323 8.264 1.00 0.00 C ATOM 1052 CE LYS A 70 5.600 2.540 9.510 1.00 0.00 C ATOM 1053 NZ LYS A 70 4.509 1.629 9.953 1.00 0.00 N ATOM 0 H LYS A 70 6.615 3.851 4.307 1.00 0.00 H new ATOM 0 HA LYS A 70 8.241 1.767 5.125 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.600 2.393 7.243 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.064 3.809 6.360 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.764 2.812 6.229 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.322 1.463 7.200 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.779 4.255 8.230 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.159 3.590 8.313 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.500 1.958 9.309 1.00 0.00 H new ATOM 0 HE3 LYS A 70 5.842 3.234 10.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.714 1.282 10.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.606 2.145 9.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.444 0.822 9.300 1.00 0.00 H new ATOM 1067 N GLN A 71 5.084 0.877 4.767 1.00 0.00 N ATOM 1068 CA GLN A 71 4.198 -0.276 4.654 1.00 0.00 C ATOM 1069 C GLN A 71 4.615 -1.171 3.492 1.00 0.00 C ATOM 1070 O GLN A 71 4.573 -2.398 3.594 1.00 0.00 O ATOM 1071 CB GLN A 71 2.751 0.183 4.465 1.00 0.00 C ATOM 1072 CG GLN A 71 2.069 0.594 5.760 1.00 0.00 C ATOM 1073 CD GLN A 71 1.757 -0.589 6.656 1.00 0.00 C ATOM 1074 OE1 GLN A 71 0.880 -1.398 6.352 1.00 0.00 O ATOM 1075 NE2 GLN A 71 2.476 -0.696 7.767 1.00 0.00 N ATOM 0 H GLN A 71 4.635 1.774 4.585 1.00 0.00 H new ATOM 0 HA GLN A 71 4.272 -0.851 5.577 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.733 1.024 3.772 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.180 -0.623 4.003 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.710 1.293 6.298 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.145 1.123 5.528 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.193 -0.002 7.979 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.311 -1.472 8.408 1.00 0.00 H new ATOM 1084 N LEU A 72 5.017 -0.551 2.388 1.00 0.00 N ATOM 1085 CA LEU A 72 5.442 -1.292 1.206 1.00 0.00 C ATOM 1086 C LEU A 72 6.570 -2.261 1.547 1.00 0.00 C ATOM 1087 O LEU A 72 6.506 -3.446 1.219 1.00 0.00 O ATOM 1088 CB LEU A 72 5.898 -0.326 0.111 1.00 0.00 C ATOM 1089 CG LEU A 72 6.383 -0.967 -1.190 1.00 0.00 C ATOM 1090 CD1 LEU A 72 5.557 -2.201 -1.518 1.00 0.00 C ATOM 1091 CD2 LEU A 72 6.325 0.036 -2.333 1.00 0.00 C ATOM 0 H LEU A 72 5.058 0.463 2.287 1.00 0.00 H new ATOM 0 HA LEU A 72 4.591 -1.868 0.843 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.070 0.343 -0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.703 0.291 0.511 1.00 0.00 H new ATOM 0 HG LEU A 72 7.420 -1.275 -1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.917 -2.643 -2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.651 -2.927 -0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.510 -1.919 -1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.674 -0.438 -3.251 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.298 0.375 -2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.962 0.890 -2.101 1.00 0.00 H new ATOM 1103 N LEU A 73 7.602 -1.750 2.209 1.00 0.00 N ATOM 1104 CA LEU A 73 8.745 -2.570 2.597 1.00 0.00 C ATOM 1105 C LEU A 73 8.310 -3.710 3.512 1.00 0.00 C ATOM 1106 O LEU A 73 8.904 -4.789 3.502 1.00 0.00 O ATOM 1107 CB LEU A 73 9.799 -1.711 3.298 1.00 0.00 C ATOM 1108 CG LEU A 73 10.081 -0.347 2.668 1.00 0.00 C ATOM 1109 CD1 LEU A 73 11.251 0.331 3.364 1.00 0.00 C ATOM 1110 CD2 LEU A 73 10.355 -0.493 1.179 1.00 0.00 C ATOM 0 H LEU A 73 7.671 -0.771 2.489 1.00 0.00 H new ATOM 0 HA LEU A 73 9.178 -2.999 1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.483 -1.554 4.329 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.732 -2.273 3.332 1.00 0.00 H new ATOM 0 HG LEU A 73 9.198 0.279 2.794 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.437 1.301 2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.015 0.471 4.419 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.141 -0.292 3.271 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.554 0.488 0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.222 -1.137 1.030 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.486 -0.935 0.691 1.00 0.00 H new ATOM 1122 N LEU A 74 7.270 -3.465 4.301 1.00 0.00 N ATOM 1123 CA LEU A 74 6.754 -4.472 5.221 1.00 0.00 C ATOM 1124 C LEU A 74 5.934 -5.521 4.476 1.00 0.00 C ATOM 1125 O LEU A 74 6.032 -6.716 4.760 1.00 0.00 O ATOM 1126 CB LEU A 74 5.897 -3.812 6.302 1.00 0.00 C ATOM 1127 CG LEU A 74 6.647 -3.293 7.530 1.00 0.00 C ATOM 1128 CD1 LEU A 74 5.735 -2.430 8.387 1.00 0.00 C ATOM 1129 CD2 LEU A 74 7.206 -4.452 8.342 1.00 0.00 C ATOM 0 H LEU A 74 6.767 -2.578 4.322 1.00 0.00 H new ATOM 0 HA LEU A 74 7.603 -4.968 5.691 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.358 -2.979 5.851 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.150 -4.532 6.635 1.00 0.00 H new ATOM 0 HG LEU A 74 7.480 -2.678 7.190 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.286 -2.070 9.256 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.383 -1.580 7.802 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.881 -3.021 8.718 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.736 -4.064 9.212 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.388 -5.093 8.672 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.894 -5.030 7.725 1.00 0.00 H new ATOM 1141 N ILE A 75 5.128 -5.067 3.523 1.00 0.00 N ATOM 1142 CA ILE A 75 4.295 -5.967 2.735 1.00 0.00 C ATOM 1143 C ILE A 75 5.145 -6.863 1.841 1.00 0.00 C ATOM 1144 O ILE A 75 5.020 -8.087 1.875 1.00 0.00 O ATOM 1145 CB ILE A 75 3.296 -5.187 1.860 1.00 0.00 C ATOM 1146 CG1 ILE A 75 2.311 -4.413 2.738 1.00 0.00 C ATOM 1147 CG2 ILE A 75 2.553 -6.135 0.930 1.00 0.00 C ATOM 1148 CD1 ILE A 75 1.552 -3.337 1.992 1.00 0.00 C ATOM 0 H ILE A 75 5.034 -4.081 3.278 1.00 0.00 H new ATOM 0 HA ILE A 75 3.742 -6.585 3.442 1.00 0.00 H new ATOM 0 HB ILE A 75 3.850 -4.472 1.251 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.598 -5.113 3.174 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.855 -3.956 3.564 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.851 -5.569 0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.267 -6.645 0.284 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.008 -6.871 1.521 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.872 -2.830 2.677 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.256 -2.615 1.579 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.980 -3.790 1.182 1.00 0.00 H new ATOM 1160 N GLN A 76 6.011 -6.245 1.045 1.00 0.00 N ATOM 1161 CA GLN A 76 6.883 -6.987 0.143 1.00 0.00 C ATOM 1162 C GLN A 76 7.454 -8.222 0.831 1.00 0.00 C ATOM 1163 O GLN A 76 7.298 -9.342 0.346 1.00 0.00 O ATOM 1164 CB GLN A 76 8.021 -6.093 -0.352 1.00 0.00 C ATOM 1165 CG GLN A 76 7.657 -5.263 -1.572 1.00 0.00 C ATOM 1166 CD GLN A 76 8.875 -4.752 -2.316 1.00 0.00 C ATOM 1167 OE1 GLN A 76 9.536 -5.501 -3.036 1.00 0.00 O ATOM 1168 NE2 GLN A 76 9.179 -3.471 -2.145 1.00 0.00 N ATOM 0 H GLN A 76 6.127 -5.232 1.006 1.00 0.00 H new ATOM 0 HA GLN A 76 6.288 -7.311 -0.711 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.324 -5.425 0.454 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.883 -6.716 -0.591 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.049 -5.865 -2.248 1.00 0.00 H new ATOM 0 HG3 GLN A 76 7.045 -4.417 -1.261 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.603 -2.887 -1.539 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.988 -3.071 -2.620 1.00 0.00 H new ATOM 1177 N GLU A 77 8.115 -8.009 1.965 1.00 0.00 N ATOM 1178 CA GLU A 77 8.710 -9.107 2.719 1.00 0.00 C ATOM 1179 C GLU A 77 7.654 -10.140 3.101 1.00 0.00 C ATOM 1180 O GLU A 77 7.854 -11.342 2.925 1.00 0.00 O ATOM 1181 CB GLU A 77 9.398 -8.575 3.978 1.00 0.00 C ATOM 1182 CG GLU A 77 8.524 -7.645 4.803 1.00 0.00 C ATOM 1183 CD GLU A 77 9.238 -7.109 6.028 1.00 0.00 C ATOM 1184 OE1 GLU A 77 10.158 -6.281 5.865 1.00 0.00 O ATOM 1185 OE2 GLU A 77 8.875 -7.517 7.151 1.00 0.00 O ATOM 0 H GLU A 77 8.252 -7.088 2.381 1.00 0.00 H new ATOM 0 HA GLU A 77 9.452 -9.590 2.084 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.704 -9.418 4.598 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.306 -8.046 3.689 1.00 0.00 H new ATOM 0 HG2 GLU A 77 8.200 -6.810 4.181 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.626 -8.178 5.115 1.00 0.00 H new ATOM 1192 N ARG A 78 6.530 -9.662 3.624 1.00 0.00 N ATOM 1193 CA ARG A 78 5.443 -10.544 4.033 1.00 0.00 C ATOM 1194 C ARG A 78 4.947 -11.378 2.855 1.00 0.00 C ATOM 1195 O ARG A 78 4.524 -12.521 3.026 1.00 0.00 O ATOM 1196 CB ARG A 78 4.287 -9.728 4.616 1.00 0.00 C ATOM 1197 CG ARG A 78 4.638 -9.017 5.913 1.00 0.00 C ATOM 1198 CD ARG A 78 4.460 -9.931 7.115 1.00 0.00 C ATOM 1199 NE ARG A 78 3.102 -10.459 7.205 1.00 0.00 N ATOM 1200 CZ ARG A 78 2.744 -11.427 8.041 1.00 0.00 C ATOM 1201 NH1 ARG A 78 3.639 -11.970 8.854 1.00 0.00 N ATOM 1202 NH2 ARG A 78 1.487 -11.854 8.065 1.00 0.00 N ATOM 0 H ARG A 78 6.348 -8.670 3.775 1.00 0.00 H new ATOM 0 HA ARG A 78 5.825 -11.219 4.799 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.968 -8.989 3.881 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.439 -10.389 4.792 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.670 -8.667 5.870 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.007 -8.136 6.028 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.167 -10.758 7.049 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.696 -9.382 8.026 1.00 0.00 H new ATOM 0 HE ARG A 78 2.389 -10.063 6.592 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.606 -11.645 8.839 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.361 -12.713 9.495 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.795 -11.439 7.441 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.213 -12.597 8.707 1.00 0.00 H new ATOM 1216 N TRP A 79 5.003 -10.798 1.662 1.00 0.00 N ATOM 1217 CA TRP A 79 4.559 -11.487 0.456 1.00 0.00 C ATOM 1218 C TRP A 79 5.475 -12.662 0.132 1.00 0.00 C ATOM 1219 O TRP A 79 5.022 -13.801 0.010 1.00 0.00 O ATOM 1220 CB TRP A 79 4.517 -10.517 -0.726 1.00 0.00 C ATOM 1221 CG TRP A 79 3.903 -11.107 -1.959 1.00 0.00 C ATOM 1222 CD1 TRP A 79 3.074 -12.191 -2.023 1.00 0.00 C ATOM 1223 CD2 TRP A 79 4.071 -10.648 -3.304 1.00 0.00 C ATOM 1224 NE1 TRP A 79 2.716 -12.433 -3.327 1.00 0.00 N ATOM 1225 CE2 TRP A 79 3.314 -11.500 -4.133 1.00 0.00 C ATOM 1226 CE3 TRP A 79 4.785 -9.599 -3.890 1.00 0.00 C ATOM 1227 CZ2 TRP A 79 3.255 -11.334 -5.514 1.00 0.00 C ATOM 1228 CZ3 TRP A 79 4.725 -9.436 -5.260 1.00 0.00 C ATOM 1229 CH2 TRP A 79 3.964 -10.299 -6.060 1.00 0.00 C ATOM 0 H TRP A 79 5.351 -9.852 1.504 1.00 0.00 H new ATOM 0 HA TRP A 79 3.555 -11.871 0.637 1.00 0.00 H new ATOM 0 HB2 TRP A 79 3.954 -9.629 -0.438 1.00 0.00 H new ATOM 0 HB3 TRP A 79 5.532 -10.191 -0.955 1.00 0.00 H new ATOM 0 HD1 TRP A 79 2.748 -12.772 -1.173 1.00 0.00 H new ATOM 0 HE1 TRP A 79 2.104 -13.185 -3.644 1.00 0.00 H new ATOM 0 HE3 TRP A 79 5.373 -8.928 -3.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 2.670 -11.999 -6.133 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 5.274 -8.629 -5.723 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.937 -10.144 -7.128 1.00 0.00 H new ATOM 1240 N LYS A 80 6.766 -12.380 -0.006 1.00 0.00 N ATOM 1241 CA LYS A 80 7.747 -13.413 -0.314 1.00 0.00 C ATOM 1242 C LYS A 80 7.498 -14.666 0.519 1.00 0.00 C ATOM 1243 O LYS A 80 7.527 -15.783 0.002 1.00 0.00 O ATOM 1244 CB LYS A 80 9.164 -12.892 -0.061 1.00 0.00 C ATOM 1245 CG LYS A 80 9.443 -11.548 -0.711 1.00 0.00 C ATOM 1246 CD LYS A 80 10.915 -11.181 -0.624 1.00 0.00 C ATOM 1247 CE LYS A 80 11.112 -9.674 -0.579 1.00 0.00 C ATOM 1248 NZ LYS A 80 10.853 -9.041 -1.902 1.00 0.00 N ATOM 0 H LYS A 80 7.157 -11.443 0.091 1.00 0.00 H new ATOM 0 HA LYS A 80 7.645 -13.673 -1.368 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.324 -12.807 1.014 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.882 -13.622 -0.433 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.136 -11.578 -1.756 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.846 -10.777 -0.225 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.352 -11.633 0.267 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.445 -11.593 -1.483 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.444 -9.243 0.167 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.131 -9.450 -0.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.998 -8.014 -1.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.507 -9.434 -2.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 9.873 -9.233 -2.193 1.00 0.00 H new ATOM 1262 N ARG A 81 7.253 -14.472 1.811 1.00 0.00 N ATOM 1263 CA ARG A 81 6.999 -15.587 2.716 1.00 0.00 C ATOM 1264 C ARG A 81 5.712 -16.313 2.336 1.00 0.00 C ATOM 1265 O ARG A 81 5.643 -17.541 2.381 1.00 0.00 O ATOM 1266 CB ARG A 81 6.909 -15.089 4.160 1.00 0.00 C ATOM 1267 CG ARG A 81 8.247 -14.666 4.742 1.00 0.00 C ATOM 1268 CD ARG A 81 8.170 -14.498 6.252 1.00 0.00 C ATOM 1269 NE ARG A 81 9.372 -13.872 6.796 1.00 0.00 N ATOM 1270 CZ ARG A 81 9.575 -12.560 6.810 1.00 0.00 C ATOM 1271 NH1 ARG A 81 8.660 -11.738 6.314 1.00 0.00 N ATOM 1272 NH2 ARG A 81 10.695 -12.066 7.322 1.00 0.00 N ATOM 0 H ARG A 81 7.225 -13.554 2.254 1.00 0.00 H new ATOM 0 HA ARG A 81 7.830 -16.288 2.631 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.221 -14.245 4.202 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.485 -15.877 4.782 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.004 -15.411 4.496 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.563 -13.728 4.286 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.300 -13.892 6.505 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.027 -15.473 6.718 1.00 0.00 H new ATOM 0 HE ARG A 81 10.095 -14.476 7.187 1.00 0.00 H new ATOM 0 HH11 ARG A 81 7.797 -12.113 5.920 1.00 0.00 H new ATOM 0 HH12 ARG A 81 8.819 -10.731 6.326 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.401 -12.694 7.705 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.850 -11.058 7.332 1.00 0.00 H new