USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 811 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 17 CYS SG : rot -150:sc= 0 USER MOD Set 1.2: A 117 MET CE :methyl -169:sc= -0.246 (180deg=-0.337) USER MOD Set 2.1: A 89 CYS SG : rot -103:sc= 0.368 USER MOD Set 2.2: A 93 ASN : amide:sc= -0.175 K(o=0.19,f=-0.46) USER MOD Set 3.1: A 29 HIS :FLIP no HD1:sc= -1.02 F(o=-1.7,f=-1) USER MOD Set 3.2: A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -112:sc= 1.26 USER MOD Single : A 13 HIS : no HD1:sc= -0.335 X(o=-0.33,f=-0.052) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -163:sc= 0 (180deg=-0.0283) USER MOD Single : A 26 SER OG : rot 180:sc= -0.0581 USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0693) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.973 USER MOD Single : A 38 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.496) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.0583 X(o=-0.058,f=-0.19) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 HIS : no HD1:sc= -0.389 X(o=-0.39,f=-0.88) USER MOD Single : A 58 MET CE :methyl 163:sc= -0.271 (180deg=-1.09) USER MOD Single : A 61 SER OG : rot 180:sc= -0.389 USER MOD Single : A 62 THR OG1 : rot 86:sc= 0.839 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -131:sc= -1.46 (180deg=-5.8!) USER MOD Single : A 72 TYR OH : rot -120:sc= -0.0664 USER MOD Single : A 76 GLN : amide:sc= -0.49 K(o=-0.49,f=-1.2) USER MOD Single : A 85 MET CE :methyl 137:sc= -0.168 (180deg=-0.896) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.456 K(o=-0.46,f=-1.3) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ -142:sc= 0.341 (180deg=0.00421) USER MOD Single : A 92 TYR OH : rot 56:sc= 0.00163 USER MOD Single : A 97 HIS : no HD1:sc= -0.373 K(o=-0.37,f=-2.6) USER MOD Single : A 102 MET CE :methyl -123:sc= -3.74! (180deg=-9.57!) USER MOD Single : A 105 LYS NZ :NH3+ -163:sc= -0.0551 (180deg=-0.37) USER MOD Single : A 107 GLN : amide:sc= -1.18 K(o=-1.2,f=-2.3) USER MOD Single : A 112 MET CE :methyl -130:sc= -1.93 (180deg=-6.76!) USER MOD Single : A 116 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0924) USER MOD ----------------------------------------------------------------- ATOM 114 N SER A 11 -4.407 18.181 6.236 1.00 0.00 N ATOM 115 CA SER A 11 -5.172 18.983 5.289 1.00 0.00 C ATOM 116 C SER A 11 -6.656 18.636 5.359 1.00 0.00 C ATOM 117 O SER A 11 -7.026 17.511 5.692 1.00 0.00 O ATOM 118 CB SER A 11 -4.652 18.765 3.866 1.00 0.00 C ATOM 119 OG SER A 11 -4.839 19.924 3.072 1.00 0.00 O ATOM 0 HA SER A 11 -5.049 20.033 5.556 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.593 18.509 3.898 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.171 17.921 3.411 1.00 0.00 H new ATOM 0 HG SER A 11 -5.512 19.743 2.383 1.00 0.00 H new ATOM 125 N GLU A 12 -7.501 19.612 5.041 1.00 0.00 N ATOM 126 CA GLU A 12 -8.945 19.410 5.069 1.00 0.00 C ATOM 127 C GLU A 12 -9.312 18.031 4.531 1.00 0.00 C ATOM 128 O GLU A 12 -10.181 17.350 5.077 1.00 0.00 O ATOM 129 CB GLU A 12 -9.649 20.494 4.249 1.00 0.00 C ATOM 130 CG GLU A 12 -9.295 20.466 2.772 1.00 0.00 C ATOM 131 CD GLU A 12 -7.832 20.774 2.517 1.00 0.00 C ATOM 132 OE1 GLU A 12 -7.345 21.803 3.031 1.00 0.00 O ATOM 133 OE2 GLU A 12 -7.175 19.988 1.804 1.00 0.00 O ATOM 0 H GLU A 12 -7.211 20.549 4.761 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.276 19.476 6.106 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.727 20.377 4.358 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.391 21.471 4.657 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.532 19.483 2.364 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.913 21.190 2.240 1.00 0.00 H new ATOM 140 N HIS A 13 -8.645 17.624 3.455 1.00 0.00 N ATOM 141 CA HIS A 13 -8.900 16.326 2.842 1.00 0.00 C ATOM 142 C HIS A 13 -8.028 15.245 3.475 1.00 0.00 C ATOM 143 O HIS A 13 -8.535 14.257 4.008 1.00 0.00 O ATOM 144 CB HIS A 13 -8.641 16.389 1.337 1.00 0.00 C ATOM 145 CG HIS A 13 -9.573 17.306 0.607 1.00 0.00 C ATOM 146 ND1 HIS A 13 -9.219 17.979 -0.544 1.00 0.00 N ATOM 147 CD2 HIS A 13 -10.853 17.660 0.869 1.00 0.00 C ATOM 148 CE1 HIS A 13 -10.241 18.708 -0.957 1.00 0.00 C ATOM 149 NE2 HIS A 13 -11.245 18.532 -0.117 1.00 0.00 N ATOM 0 H HIS A 13 -7.924 18.175 2.990 1.00 0.00 H new ATOM 0 HA HIS A 13 -9.946 16.071 3.013 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -7.615 16.716 1.167 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -8.730 15.386 0.919 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -11.454 17.320 1.699 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -10.253 19.340 -1.833 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -12.162 18.972 -0.189 1.00 0.00 H new ATOM 157 N LEU A 14 -6.716 15.439 3.413 1.00 0.00 N ATOM 158 CA LEU A 14 -5.773 14.481 3.979 1.00 0.00 C ATOM 159 C LEU A 14 -6.295 13.917 5.297 1.00 0.00 C ATOM 160 O LEU A 14 -6.454 12.705 5.445 1.00 0.00 O ATOM 161 CB LEU A 14 -4.412 15.143 4.199 1.00 0.00 C ATOM 162 CG LEU A 14 -3.265 14.209 4.584 1.00 0.00 C ATOM 163 CD1 LEU A 14 -2.941 13.261 3.440 1.00 0.00 C ATOM 164 CD2 LEU A 14 -2.033 15.011 4.979 1.00 0.00 C ATOM 0 H LEU A 14 -6.280 16.251 2.976 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.660 13.659 3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.134 15.669 3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.519 15.896 4.980 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.579 13.616 5.443 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.122 12.604 3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.820 12.662 3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.648 13.837 2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.227 14.329 5.250 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.718 15.631 4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.271 15.648 5.831 1.00 0.00 H new ATOM 176 N ARG A 15 -6.562 14.804 6.250 1.00 0.00 N ATOM 177 CA ARG A 15 -7.068 14.395 7.555 1.00 0.00 C ATOM 178 C ARG A 15 -8.015 13.206 7.422 1.00 0.00 C ATOM 179 O ARG A 15 -7.891 12.217 8.145 1.00 0.00 O ATOM 180 CB ARG A 15 -7.788 15.561 8.235 1.00 0.00 C ATOM 181 CG ARG A 15 -8.999 16.061 7.465 1.00 0.00 C ATOM 182 CD ARG A 15 -9.505 17.383 8.020 1.00 0.00 C ATOM 183 NE ARG A 15 -10.909 17.614 7.691 1.00 0.00 N ATOM 184 CZ ARG A 15 -11.920 17.127 8.402 1.00 0.00 C ATOM 185 NH1 ARG A 15 -11.683 16.387 9.476 1.00 0.00 N ATOM 186 NH2 ARG A 15 -13.171 17.381 8.039 1.00 0.00 N ATOM 0 H ARG A 15 -6.436 15.811 6.143 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.219 14.094 8.168 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.104 15.251 9.231 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.086 16.384 8.366 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.738 16.182 6.414 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.794 15.317 7.512 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.380 17.393 9.103 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.901 18.198 7.622 1.00 0.00 H new ATOM 0 HE ARG A 15 -11.125 18.180 6.871 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.723 16.190 9.758 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.461 16.014 10.020 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -13.357 17.951 7.213 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -13.947 17.007 8.586 1.00 0.00 H new ATOM 200 N TYR A 16 -8.960 13.310 6.495 1.00 0.00 N ATOM 201 CA TYR A 16 -9.930 12.245 6.269 1.00 0.00 C ATOM 202 C TYR A 16 -9.237 10.962 5.820 1.00 0.00 C ATOM 203 O TYR A 16 -9.414 9.903 6.423 1.00 0.00 O ATOM 204 CB TYR A 16 -10.958 12.676 5.222 1.00 0.00 C ATOM 205 CG TYR A 16 -11.884 11.562 4.788 1.00 0.00 C ATOM 206 CD1 TYR A 16 -11.422 10.514 4.002 1.00 0.00 C ATOM 207 CD2 TYR A 16 -13.222 11.558 5.165 1.00 0.00 C ATOM 208 CE1 TYR A 16 -12.264 9.495 3.603 1.00 0.00 C ATOM 209 CE2 TYR A 16 -14.071 10.542 4.771 1.00 0.00 C ATOM 210 CZ TYR A 16 -13.588 9.513 3.990 1.00 0.00 C ATOM 211 OH TYR A 16 -14.431 8.499 3.596 1.00 0.00 O ATOM 0 H TYR A 16 -9.075 14.121 5.887 1.00 0.00 H new ATOM 0 HA TYR A 16 -10.442 12.049 7.211 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -11.553 13.495 5.625 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -10.434 13.063 4.348 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.386 10.496 3.698 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -13.604 12.362 5.776 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -11.888 8.688 2.991 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -15.108 10.553 5.073 1.00 0.00 H new ATOM 0 HH TYR A 16 -15.329 8.662 3.954 1.00 0.00 H new ATOM 221 N CYS A 17 -8.447 11.066 4.757 1.00 0.00 N ATOM 222 CA CYS A 17 -7.725 9.915 4.225 1.00 0.00 C ATOM 223 C CYS A 17 -7.132 9.077 5.353 1.00 0.00 C ATOM 224 O CYS A 17 -7.191 7.848 5.323 1.00 0.00 O ATOM 225 CB CYS A 17 -6.617 10.376 3.277 1.00 0.00 C ATOM 226 SG CYS A 17 -7.217 11.198 1.783 1.00 0.00 S ATOM 0 H CYS A 17 -8.290 11.935 4.247 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.432 9.297 3.671 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.956 11.057 3.813 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.019 9.512 2.988 1.00 0.00 H new ATOM 0 HG CYS A 17 -6.382 10.991 0.809 1.00 0.00 H new ATOM 232 N ASP A 18 -6.558 9.750 6.344 1.00 0.00 N ATOM 233 CA ASP A 18 -5.952 9.067 7.481 1.00 0.00 C ATOM 234 C ASP A 18 -6.804 7.879 7.919 1.00 0.00 C ATOM 235 O ASP A 18 -6.286 6.792 8.175 1.00 0.00 O ATOM 236 CB ASP A 18 -5.772 10.038 8.649 1.00 0.00 C ATOM 237 CG ASP A 18 -5.222 9.359 9.888 1.00 0.00 C ATOM 238 OD1 ASP A 18 -4.407 8.424 9.740 1.00 0.00 O ATOM 239 OD2 ASP A 18 -5.607 9.761 11.005 1.00 0.00 O ATOM 0 H ASP A 18 -6.500 10.768 6.383 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.975 8.696 7.172 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.099 10.841 8.349 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.731 10.498 8.886 1.00 0.00 H new ATOM 244 N SER A 19 -8.113 8.095 8.003 1.00 0.00 N ATOM 245 CA SER A 19 -9.036 7.044 8.414 1.00 0.00 C ATOM 246 C SER A 19 -8.986 5.867 7.444 1.00 0.00 C ATOM 247 O SER A 19 -8.914 4.710 7.858 1.00 0.00 O ATOM 248 CB SER A 19 -10.462 7.592 8.496 1.00 0.00 C ATOM 249 OG SER A 19 -10.497 8.820 9.203 1.00 0.00 O ATOM 0 H SER A 19 -8.558 8.988 7.792 1.00 0.00 H new ATOM 0 HA SER A 19 -8.732 6.693 9.400 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.858 7.736 7.491 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.106 6.865 8.991 1.00 0.00 H new ATOM 0 HG SER A 19 -11.419 9.150 9.240 1.00 0.00 H new ATOM 255 N ILE A 20 -9.025 6.173 6.151 1.00 0.00 N ATOM 256 CA ILE A 20 -8.983 5.141 5.122 1.00 0.00 C ATOM 257 C ILE A 20 -8.018 4.024 5.502 1.00 0.00 C ATOM 258 O ILE A 20 -8.256 2.853 5.201 1.00 0.00 O ATOM 259 CB ILE A 20 -8.566 5.724 3.758 1.00 0.00 C ATOM 260 CG1 ILE A 20 -9.510 6.857 3.353 1.00 0.00 C ATOM 261 CG2 ILE A 20 -8.553 4.633 2.698 1.00 0.00 C ATOM 262 CD1 ILE A 20 -9.172 7.475 2.014 1.00 0.00 C ATOM 0 H ILE A 20 -9.086 7.126 5.792 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.991 4.734 5.042 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.558 6.130 3.846 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -10.530 6.475 3.321 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.484 7.632 4.119 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.257 5.060 1.740 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.844 3.856 2.984 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.549 4.200 2.609 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -9.882 8.271 1.791 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.164 7.887 2.048 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -9.226 6.712 1.237 1.00 0.00 H new ATOM 274 N LEU A 21 -6.928 4.392 6.166 1.00 0.00 N ATOM 275 CA LEU A 21 -5.926 3.420 6.590 1.00 0.00 C ATOM 276 C LEU A 21 -6.326 2.766 7.909 1.00 0.00 C ATOM 277 O LEU A 21 -6.267 1.544 8.050 1.00 0.00 O ATOM 278 CB LEU A 21 -4.562 4.096 6.737 1.00 0.00 C ATOM 279 CG LEU A 21 -3.495 3.299 7.488 1.00 0.00 C ATOM 280 CD1 LEU A 21 -2.919 2.207 6.600 1.00 0.00 C ATOM 281 CD2 LEU A 21 -2.392 4.221 7.986 1.00 0.00 C ATOM 0 H LEU A 21 -6.715 5.356 6.422 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.861 2.645 5.826 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.183 4.324 5.741 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.704 5.048 7.249 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.964 2.827 8.351 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.161 1.651 7.152 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.716 1.529 6.294 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.466 2.657 5.717 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.642 3.636 8.518 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.927 4.723 7.138 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.817 4.965 8.660 1.00 0.00 H new ATOM 293 N ARG A 22 -6.735 3.586 8.871 1.00 0.00 N ATOM 294 CA ARG A 22 -7.145 3.087 10.178 1.00 0.00 C ATOM 295 C ARG A 22 -8.244 2.038 10.038 1.00 0.00 C ATOM 296 O ARG A 22 -8.332 1.108 10.839 1.00 0.00 O ATOM 297 CB ARG A 22 -7.635 4.239 11.057 1.00 0.00 C ATOM 298 CG ARG A 22 -9.126 4.507 10.935 1.00 0.00 C ATOM 299 CD ARG A 22 -9.922 3.695 11.945 1.00 0.00 C ATOM 300 NE ARG A 22 -9.694 4.149 13.314 1.00 0.00 N ATOM 301 CZ ARG A 22 -10.559 3.960 14.304 1.00 0.00 C ATOM 302 NH1 ARG A 22 -11.704 3.330 14.078 1.00 0.00 N ATOM 303 NH2 ARG A 22 -10.280 4.402 15.524 1.00 0.00 N ATOM 0 H ARG A 22 -6.791 4.599 8.770 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.279 2.622 10.650 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.398 4.017 12.098 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.089 5.144 10.792 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.320 5.569 11.087 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.459 4.263 9.926 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -10.984 3.767 11.711 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.648 2.643 11.861 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.823 4.638 13.521 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.922 2.989 13.142 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.366 3.186 14.840 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.401 4.887 15.702 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.945 4.256 16.284 1.00 0.00 H new ATOM 317 N GLU A 23 -9.079 2.195 9.016 1.00 0.00 N ATOM 318 CA GLU A 23 -10.173 1.262 8.773 1.00 0.00 C ATOM 319 C GLU A 23 -9.662 -0.013 8.107 1.00 0.00 C ATOM 320 O GLU A 23 -9.984 -1.121 8.536 1.00 0.00 O ATOM 321 CB GLU A 23 -11.244 1.914 7.896 1.00 0.00 C ATOM 322 CG GLU A 23 -12.055 0.918 7.083 1.00 0.00 C ATOM 323 CD GLU A 23 -13.468 1.397 6.815 1.00 0.00 C ATOM 324 OE1 GLU A 23 -13.634 2.574 6.434 1.00 0.00 O ATOM 325 OE2 GLU A 23 -14.409 0.593 6.987 1.00 0.00 O ATOM 0 H GLU A 23 -9.019 2.959 8.343 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.613 0.999 9.735 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.920 2.489 8.529 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.765 2.620 7.217 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -11.552 0.734 6.134 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -12.092 -0.033 7.614 1.00 0.00 H new ATOM 332 N MET A 24 -8.866 0.153 7.057 1.00 0.00 N ATOM 333 CA MET A 24 -8.310 -0.984 6.332 1.00 0.00 C ATOM 334 C MET A 24 -7.501 -1.880 7.264 1.00 0.00 C ATOM 335 O MET A 24 -7.352 -3.077 7.017 1.00 0.00 O ATOM 336 CB MET A 24 -7.429 -0.500 5.179 1.00 0.00 C ATOM 337 CG MET A 24 -8.213 -0.111 3.936 1.00 0.00 C ATOM 338 SD MET A 24 -7.239 -0.256 2.426 1.00 0.00 S ATOM 339 CE MET A 24 -6.029 1.041 2.678 1.00 0.00 C ATOM 0 H MET A 24 -8.591 1.064 6.689 1.00 0.00 H new ATOM 0 HA MET A 24 -9.139 -1.565 5.927 1.00 0.00 H new ATOM 0 HB2 MET A 24 -6.846 0.358 5.514 1.00 0.00 H new ATOM 0 HB3 MET A 24 -6.720 -1.286 4.920 1.00 0.00 H new ATOM 0 HG2 MET A 24 -9.097 -0.744 3.856 1.00 0.00 H new ATOM 0 HG3 MET A 24 -8.565 0.915 4.040 1.00 0.00 H new ATOM 0 HE1 MET A 24 -5.552 1.283 1.728 1.00 0.00 H new ATOM 0 HE2 MET A 24 -6.524 1.928 3.073 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.274 0.701 3.387 1.00 0.00 H new ATOM 349 N LEU A 25 -6.979 -1.293 8.336 1.00 0.00 N ATOM 350 CA LEU A 25 -6.184 -2.038 9.306 1.00 0.00 C ATOM 351 C LEU A 25 -7.074 -2.665 10.373 1.00 0.00 C ATOM 352 O LEU A 25 -6.713 -2.711 11.549 1.00 0.00 O ATOM 353 CB LEU A 25 -5.151 -1.120 9.961 1.00 0.00 C ATOM 354 CG LEU A 25 -3.793 -1.032 9.264 1.00 0.00 C ATOM 355 CD1 LEU A 25 -2.963 0.099 9.852 1.00 0.00 C ATOM 356 CD2 LEU A 25 -3.049 -2.354 9.374 1.00 0.00 C ATOM 0 H LEU A 25 -7.092 -0.303 8.555 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.666 -2.838 8.777 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.572 -0.116 10.020 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.990 -1.459 10.984 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.962 -0.821 8.208 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.000 0.146 9.343 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.490 1.044 9.720 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.803 -0.081 10.915 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.085 -2.272 8.872 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.891 -2.596 10.425 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.637 -3.142 8.904 1.00 0.00 H new ATOM 368 N SER A 26 -8.240 -3.149 9.955 1.00 0.00 N ATOM 369 CA SER A 26 -9.183 -3.771 10.876 1.00 0.00 C ATOM 370 C SER A 26 -9.198 -5.286 10.696 1.00 0.00 C ATOM 371 O SER A 26 -8.862 -5.800 9.629 1.00 0.00 O ATOM 372 CB SER A 26 -10.589 -3.207 10.659 1.00 0.00 C ATOM 373 OG SER A 26 -11.555 -3.952 11.380 1.00 0.00 O ATOM 0 H SER A 26 -8.553 -3.122 8.985 1.00 0.00 H new ATOM 0 HA SER A 26 -8.862 -3.546 11.893 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.619 -2.164 10.976 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.831 -3.224 9.596 1.00 0.00 H new ATOM 0 HG SER A 26 -12.444 -3.570 11.226 1.00 0.00 H new ATOM 379 N LYS A 27 -9.591 -5.997 11.748 1.00 0.00 N ATOM 380 CA LYS A 27 -9.653 -7.453 11.709 1.00 0.00 C ATOM 381 C LYS A 27 -10.525 -7.930 10.552 1.00 0.00 C ATOM 382 O LYS A 27 -10.310 -9.010 10.002 1.00 0.00 O ATOM 383 CB LYS A 27 -10.198 -7.997 13.031 1.00 0.00 C ATOM 384 CG LYS A 27 -9.193 -7.949 14.169 1.00 0.00 C ATOM 385 CD LYS A 27 -8.164 -9.062 14.052 1.00 0.00 C ATOM 386 CE LYS A 27 -6.924 -8.764 14.881 1.00 0.00 C ATOM 387 NZ LYS A 27 -6.073 -7.718 14.250 1.00 0.00 N ATOM 0 H LYS A 27 -9.872 -5.587 12.639 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.642 -7.830 11.558 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.081 -7.424 13.313 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.520 -9.028 12.885 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.687 -6.983 14.169 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.716 -8.035 15.121 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.605 -10.003 14.381 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.882 -9.190 13.007 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.223 -8.437 15.877 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.343 -9.678 15.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.144 -7.698 14.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.949 -7.934 13.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.531 -6.790 14.351 1.00 0.00 H new ATOM 401 N LYS A 28 -11.511 -7.117 10.187 1.00 0.00 N ATOM 402 CA LYS A 28 -12.416 -7.454 9.094 1.00 0.00 C ATOM 403 C LYS A 28 -11.652 -7.602 7.782 1.00 0.00 C ATOM 404 O LYS A 28 -11.668 -8.663 7.158 1.00 0.00 O ATOM 405 CB LYS A 28 -13.497 -6.380 8.950 1.00 0.00 C ATOM 406 CG LYS A 28 -14.739 -6.652 9.781 1.00 0.00 C ATOM 407 CD LYS A 28 -15.704 -5.479 9.740 1.00 0.00 C ATOM 408 CE LYS A 28 -16.348 -5.335 8.370 1.00 0.00 C ATOM 409 NZ LYS A 28 -17.471 -6.294 8.181 1.00 0.00 N ATOM 0 H LYS A 28 -11.704 -6.220 10.632 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.890 -8.408 9.328 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.080 -5.416 9.240 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -13.782 -6.302 7.901 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.237 -7.548 9.410 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.451 -6.852 10.813 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -16.478 -5.617 10.495 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.173 -4.561 9.992 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.716 -4.316 8.247 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.597 -5.498 7.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.883 -6.164 7.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.116 -7.267 8.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.200 -6.122 8.903 1.00 0.00 H new ATOM 423 N HIS A 29 -10.983 -6.530 7.368 1.00 0.00 N ATOM 424 CA HIS A 29 -10.211 -6.541 6.131 1.00 0.00 C ATOM 425 C HIS A 29 -8.959 -7.401 6.279 1.00 0.00 C ATOM 426 O HIS A 29 -8.487 -7.999 5.312 1.00 0.00 O ATOM 427 CB HIS A 29 -9.822 -5.117 5.734 1.00 0.00 C ATOM 428 CG HIS A 29 -10.960 -4.145 5.800 1.00 0.00 C ATOM 429 ND1 HIS A 29 -11.269 -3.206 6.725 1.00 0.00 N flip ATOM 430 CD2 HIS A 29 -11.942 -4.069 4.836 1.00 0.00 C flip ATOM 431 CE1 HIS A 29 -12.420 -2.585 6.305 1.00 0.00 C flip ATOM 432 NE2 HIS A 29 -12.806 -3.125 5.163 1.00 0.00 N flip ATOM 0 H HIS A 29 -10.960 -5.643 7.871 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.835 -6.970 5.347 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -9.022 -4.772 6.389 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.422 -5.128 4.720 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -11.997 -4.685 3.951 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -12.927 -1.785 6.824 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -13.631 -2.858 4.625 1.00 0.00 H new ATOM 440 N ALA A 30 -8.426 -7.456 7.495 1.00 0.00 N ATOM 441 CA ALA A 30 -7.230 -8.243 7.770 1.00 0.00 C ATOM 442 C ALA A 30 -7.196 -9.506 6.915 1.00 0.00 C ATOM 443 O ALA A 30 -6.214 -9.771 6.223 1.00 0.00 O ATOM 444 CB ALA A 30 -7.162 -8.601 9.247 1.00 0.00 C ATOM 0 H ALA A 30 -8.803 -6.965 8.305 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.360 -7.639 7.514 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.264 -9.189 9.438 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -7.132 -7.688 9.842 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -8.042 -9.183 9.521 1.00 0.00 H new ATOM 450 N ALA A 31 -8.274 -10.281 6.970 1.00 0.00 N ATOM 451 CA ALA A 31 -8.367 -11.515 6.200 1.00 0.00 C ATOM 452 C ALA A 31 -7.745 -11.348 4.818 1.00 0.00 C ATOM 453 O ALA A 31 -6.973 -12.194 4.367 1.00 0.00 O ATOM 454 CB ALA A 31 -9.819 -11.953 6.079 1.00 0.00 C ATOM 0 H ALA A 31 -9.095 -10.076 7.540 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.809 -12.288 6.729 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.874 -12.876 5.502 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.232 -12.122 7.073 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.393 -11.175 5.575 1.00 0.00 H new ATOM 460 N TYR A 32 -8.088 -10.253 4.149 1.00 0.00 N ATOM 461 CA TYR A 32 -7.566 -9.977 2.816 1.00 0.00 C ATOM 462 C TYR A 32 -6.740 -8.694 2.809 1.00 0.00 C ATOM 463 O TYR A 32 -6.421 -8.153 1.750 1.00 0.00 O ATOM 464 CB TYR A 32 -8.713 -9.864 1.809 1.00 0.00 C ATOM 465 CG TYR A 32 -9.889 -9.062 2.319 1.00 0.00 C ATOM 466 CD1 TYR A 32 -9.893 -7.675 2.246 1.00 0.00 C ATOM 467 CD2 TYR A 32 -10.996 -9.692 2.873 1.00 0.00 C ATOM 468 CE1 TYR A 32 -10.965 -6.938 2.712 1.00 0.00 C ATOM 469 CE2 TYR A 32 -12.074 -8.964 3.339 1.00 0.00 C ATOM 470 CZ TYR A 32 -12.053 -7.587 3.257 1.00 0.00 C ATOM 471 OH TYR A 32 -13.124 -6.858 3.720 1.00 0.00 O ATOM 0 H TYR A 32 -8.725 -9.542 4.508 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.919 -10.806 2.528 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.339 -9.403 0.895 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -9.054 -10.865 1.545 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.044 -7.164 1.818 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.014 -10.770 2.941 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.951 -5.860 2.650 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -12.928 -9.470 3.765 1.00 0.00 H new ATOM 0 HH TYR A 32 -13.807 -7.467 4.072 1.00 0.00 H new ATOM 481 N ALA A 33 -6.397 -8.212 3.999 1.00 0.00 N ATOM 482 CA ALA A 33 -5.607 -6.995 4.132 1.00 0.00 C ATOM 483 C ALA A 33 -4.278 -7.276 4.827 1.00 0.00 C ATOM 484 O ALA A 33 -3.436 -6.388 4.958 1.00 0.00 O ATOM 485 CB ALA A 33 -6.390 -5.938 4.895 1.00 0.00 C ATOM 0 H ALA A 33 -6.654 -8.646 4.885 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.392 -6.620 3.131 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.787 -5.034 4.987 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.310 -5.708 4.357 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.635 -6.313 5.889 1.00 0.00 H new ATOM 491 N TRP A 34 -4.099 -8.515 5.269 1.00 0.00 N ATOM 492 CA TRP A 34 -2.872 -8.913 5.951 1.00 0.00 C ATOM 493 C TRP A 34 -1.727 -9.081 4.959 1.00 0.00 C ATOM 494 O TRP A 34 -0.558 -8.858 5.274 1.00 0.00 O ATOM 495 CB TRP A 34 -3.091 -10.216 6.721 1.00 0.00 C ATOM 496 CG TRP A 34 -3.186 -11.421 5.834 1.00 0.00 C ATOM 497 CD1 TRP A 34 -4.319 -12.112 5.509 1.00 0.00 C ATOM 498 CD2 TRP A 34 -2.106 -12.077 5.161 1.00 0.00 C ATOM 499 NE1 TRP A 34 -4.007 -13.158 4.675 1.00 0.00 N ATOM 500 CE2 TRP A 34 -2.657 -13.158 4.445 1.00 0.00 C ATOM 501 CE3 TRP A 34 -0.728 -11.855 5.092 1.00 0.00 C ATOM 502 CZ2 TRP A 34 -1.876 -14.013 3.673 1.00 0.00 C ATOM 503 CZ3 TRP A 34 0.045 -12.705 4.325 1.00 0.00 C ATOM 504 CH2 TRP A 34 -0.530 -13.773 3.623 1.00 0.00 C ATOM 0 H TRP A 34 -4.787 -9.261 5.168 1.00 0.00 H new ATOM 0 HA TRP A 34 -2.605 -8.124 6.654 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -2.271 -10.356 7.425 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -4.005 -10.133 7.309 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -5.313 -11.871 5.856 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -4.673 -13.827 4.289 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -0.276 -11.034 5.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -2.317 -14.837 3.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 1.111 -12.544 4.265 1.00 0.00 H new ATOM 0 HH2 TRP A 34 0.102 -14.419 3.031 1.00 0.00 H new ATOM 515 N PRO A 35 -2.066 -9.484 3.725 1.00 0.00 N ATOM 516 CA PRO A 35 -0.992 -9.656 2.743 1.00 0.00 C ATOM 517 C PRO A 35 -0.043 -8.463 2.706 1.00 0.00 C ATOM 518 O PRO A 35 1.094 -8.575 2.246 1.00 0.00 O ATOM 519 CB PRO A 35 -1.742 -9.784 1.415 1.00 0.00 C ATOM 520 CG PRO A 35 -3.085 -10.310 1.788 1.00 0.00 C ATOM 521 CD PRO A 35 -3.390 -9.797 3.162 1.00 0.00 C ATOM 0 HA PRO A 35 -0.361 -10.514 2.976 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.820 -8.821 0.910 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.227 -10.461 0.733 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.841 -9.978 1.076 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -3.090 -11.400 1.773 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -4.028 -8.914 3.126 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.912 -10.543 3.760 1.00 0.00 H new ATOM 529 N PHE A 36 -0.517 -7.321 3.193 1.00 0.00 N ATOM 530 CA PHE A 36 0.290 -6.106 3.215 1.00 0.00 C ATOM 531 C PHE A 36 0.512 -5.627 4.646 1.00 0.00 C ATOM 532 O PHE A 36 0.368 -4.441 4.945 1.00 0.00 O ATOM 533 CB PHE A 36 -0.387 -5.005 2.396 1.00 0.00 C ATOM 534 CG PHE A 36 -0.904 -5.477 1.067 1.00 0.00 C ATOM 535 CD1 PHE A 36 -0.088 -5.464 -0.053 1.00 0.00 C ATOM 536 CD2 PHE A 36 -2.206 -5.934 0.938 1.00 0.00 C ATOM 537 CE1 PHE A 36 -0.560 -5.899 -1.277 1.00 0.00 C ATOM 538 CE2 PHE A 36 -2.683 -6.370 -0.283 1.00 0.00 C ATOM 539 CZ PHE A 36 -1.860 -6.351 -1.392 1.00 0.00 C ATOM 0 H PHE A 36 -1.455 -7.211 3.578 1.00 0.00 H new ATOM 0 HA PHE A 36 1.260 -6.335 2.773 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.215 -4.591 2.972 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.324 -4.195 2.233 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.929 -5.110 0.032 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.855 -5.949 1.801 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.087 -5.885 -2.142 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.699 -6.726 -0.370 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.232 -6.689 -2.348 1.00 0.00 H new ATOM 549 N TYR A 37 0.864 -6.557 5.527 1.00 0.00 N ATOM 550 CA TYR A 37 1.104 -6.232 6.928 1.00 0.00 C ATOM 551 C TYR A 37 2.582 -6.376 7.275 1.00 0.00 C ATOM 552 O TYR A 37 3.198 -5.458 7.816 1.00 0.00 O ATOM 553 CB TYR A 37 0.265 -7.135 7.834 1.00 0.00 C ATOM 554 CG TYR A 37 -1.098 -6.567 8.160 1.00 0.00 C ATOM 555 CD1 TYR A 37 -1.873 -5.962 7.179 1.00 0.00 C ATOM 556 CD2 TYR A 37 -1.610 -6.634 9.450 1.00 0.00 C ATOM 557 CE1 TYR A 37 -3.119 -5.442 7.472 1.00 0.00 C ATOM 558 CE2 TYR A 37 -2.854 -6.117 9.753 1.00 0.00 C ATOM 559 CZ TYR A 37 -3.605 -5.522 8.760 1.00 0.00 C ATOM 560 OH TYR A 37 -4.845 -5.004 9.058 1.00 0.00 O ATOM 0 H TYR A 37 0.989 -7.542 5.295 1.00 0.00 H new ATOM 0 HA TYR A 37 0.811 -5.195 7.089 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.140 -8.104 7.351 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.808 -7.309 8.763 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.495 -5.897 6.169 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.025 -7.099 10.230 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.709 -4.976 6.697 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.237 -6.178 10.761 1.00 0.00 H new ATOM 0 HH TYR A 37 -5.038 -5.143 10.009 1.00 0.00 H new ATOM 570 N LYS A 38 3.147 -7.537 6.960 1.00 0.00 N ATOM 571 CA LYS A 38 4.553 -7.805 7.236 1.00 0.00 C ATOM 572 C LYS A 38 5.388 -7.691 5.964 1.00 0.00 C ATOM 573 O LYS A 38 4.959 -8.072 4.875 1.00 0.00 O ATOM 574 CB LYS A 38 4.719 -9.199 7.844 1.00 0.00 C ATOM 575 CG LYS A 38 3.954 -9.392 9.142 1.00 0.00 C ATOM 576 CD LYS A 38 4.247 -10.745 9.767 1.00 0.00 C ATOM 577 CE LYS A 38 3.278 -11.809 9.274 1.00 0.00 C ATOM 578 NZ LYS A 38 3.780 -12.492 8.050 1.00 0.00 N ATOM 0 H LYS A 38 2.651 -8.308 6.513 1.00 0.00 H new ATOM 0 HA LYS A 38 4.905 -7.060 7.950 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.385 -9.943 7.121 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.778 -9.383 8.025 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.220 -8.601 9.843 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.885 -9.302 8.952 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.268 -11.043 9.529 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.182 -10.667 10.852 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.117 -12.546 10.061 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.312 -11.351 9.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.046 -12.468 7.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 4.632 -12.005 7.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.013 -13.480 8.275 1.00 0.00 H new ATOM 592 N PRO A 39 6.610 -7.155 6.103 1.00 0.00 N ATOM 593 CA PRO A 39 7.531 -6.980 4.976 1.00 0.00 C ATOM 594 C PRO A 39 8.066 -8.309 4.454 1.00 0.00 C ATOM 595 O PRO A 39 8.541 -9.144 5.224 1.00 0.00 O ATOM 596 CB PRO A 39 8.666 -6.144 5.572 1.00 0.00 C ATOM 597 CG PRO A 39 8.632 -6.443 7.031 1.00 0.00 C ATOM 598 CD PRO A 39 7.186 -6.678 7.372 1.00 0.00 C ATOM 0 HA PRO A 39 7.044 -6.513 4.120 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.628 -6.414 5.135 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.516 -5.081 5.382 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.235 -7.320 7.264 1.00 0.00 H new ATOM 0 HG3 PRO A 39 9.039 -5.614 7.609 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.075 -7.416 8.166 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.700 -5.765 7.716 1.00 0.00 H new ATOM 606 N VAL A 40 7.987 -8.499 3.141 1.00 0.00 N ATOM 607 CA VAL A 40 8.465 -9.726 2.515 1.00 0.00 C ATOM 608 C VAL A 40 9.979 -9.700 2.342 1.00 0.00 C ATOM 609 O VAL A 40 10.540 -8.727 1.838 1.00 0.00 O ATOM 610 CB VAL A 40 7.805 -9.950 1.142 1.00 0.00 C ATOM 611 CG1 VAL A 40 8.124 -8.797 0.202 1.00 0.00 C ATOM 612 CG2 VAL A 40 8.254 -11.275 0.545 1.00 0.00 C ATOM 0 H VAL A 40 7.596 -7.818 2.490 1.00 0.00 H new ATOM 0 HA VAL A 40 8.192 -10.547 3.178 1.00 0.00 H new ATOM 0 HB VAL A 40 6.724 -9.987 1.279 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.649 -8.973 -0.763 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.748 -7.866 0.627 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.203 -8.725 0.068 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.778 -11.417 -0.425 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.337 -11.270 0.420 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.970 -12.089 1.211 1.00 0.00 H new ATOM 622 N ASP A 41 10.635 -10.776 2.762 1.00 0.00 N ATOM 623 CA ASP A 41 12.086 -10.879 2.651 1.00 0.00 C ATOM 624 C ASP A 41 12.481 -11.721 1.442 1.00 0.00 C ATOM 625 O ASP A 41 12.779 -12.908 1.571 1.00 0.00 O ATOM 626 CB ASP A 41 12.674 -11.486 3.926 1.00 0.00 C ATOM 627 CG ASP A 41 14.109 -11.057 4.163 1.00 0.00 C ATOM 628 OD1 ASP A 41 14.787 -10.686 3.182 1.00 0.00 O ATOM 629 OD2 ASP A 41 14.554 -11.092 5.330 1.00 0.00 O ATOM 0 H ASP A 41 10.185 -11.589 3.182 1.00 0.00 H new ATOM 0 HA ASP A 41 12.488 -9.875 2.517 1.00 0.00 H new ATOM 0 HB2 ASP A 41 12.064 -11.191 4.780 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.629 -12.573 3.862 1.00 0.00 H new ATOM 634 N ALA A 42 12.479 -11.099 0.268 1.00 0.00 N ATOM 635 CA ALA A 42 12.837 -11.790 -0.964 1.00 0.00 C ATOM 636 C ALA A 42 14.212 -12.441 -0.848 1.00 0.00 C ATOM 637 O ALA A 42 14.329 -13.666 -0.833 1.00 0.00 O ATOM 638 CB ALA A 42 12.806 -10.825 -2.140 1.00 0.00 C ATOM 0 H ALA A 42 12.233 -10.117 0.144 1.00 0.00 H new ATOM 0 HA ALA A 42 12.103 -12.578 -1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 42 13.076 -11.356 -3.053 1.00 0.00 H new ATOM 0 HB2 ALA A 42 11.803 -10.410 -2.244 1.00 0.00 H new ATOM 0 HB3 ALA A 42 13.517 -10.017 -1.967 1.00 0.00 H new ATOM 751 N TYR A 50 12.104 -10.972 -7.509 1.00 0.00 N ATOM 752 CA TYR A 50 11.144 -10.083 -6.865 1.00 0.00 C ATOM 753 C TYR A 50 11.537 -8.622 -7.061 1.00 0.00 C ATOM 754 O TYR A 50 10.702 -7.782 -7.396 1.00 0.00 O ATOM 755 CB TYR A 50 11.045 -10.401 -5.372 1.00 0.00 C ATOM 756 CG TYR A 50 10.144 -9.455 -4.611 1.00 0.00 C ATOM 757 CD1 TYR A 50 10.507 -8.129 -4.409 1.00 0.00 C ATOM 758 CD2 TYR A 50 8.929 -9.888 -4.093 1.00 0.00 C ATOM 759 CE1 TYR A 50 9.687 -7.262 -3.713 1.00 0.00 C ATOM 760 CE2 TYR A 50 8.102 -9.027 -3.397 1.00 0.00 C ATOM 761 CZ TYR A 50 8.486 -7.716 -3.209 1.00 0.00 C ATOM 762 OH TYR A 50 7.666 -6.855 -2.517 1.00 0.00 O ATOM 0 HA TYR A 50 10.171 -10.243 -7.329 1.00 0.00 H new ATOM 0 HB2 TYR A 50 10.676 -11.419 -5.249 1.00 0.00 H new ATOM 0 HB3 TYR A 50 12.043 -10.369 -4.935 1.00 0.00 H new ATOM 0 HD1 TYR A 50 11.446 -7.770 -4.803 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.626 -10.915 -4.237 1.00 0.00 H new ATOM 0 HE1 TYR A 50 9.985 -6.235 -3.564 1.00 0.00 H new ATOM 0 HE2 TYR A 50 7.160 -9.379 -3.003 1.00 0.00 H new ATOM 0 HH TYR A 50 6.859 -7.331 -2.230 1.00 0.00 H new ATOM 772 N HIS A 51 12.816 -8.327 -6.850 1.00 0.00 N ATOM 773 CA HIS A 51 13.322 -6.968 -7.004 1.00 0.00 C ATOM 774 C HIS A 51 13.408 -6.584 -8.478 1.00 0.00 C ATOM 775 O HIS A 51 13.053 -5.469 -8.861 1.00 0.00 O ATOM 776 CB HIS A 51 14.698 -6.836 -6.350 1.00 0.00 C ATOM 777 CG HIS A 51 14.638 -6.580 -4.876 1.00 0.00 C ATOM 778 ND1 HIS A 51 13.841 -5.606 -4.313 1.00 0.00 N ATOM 779 CD2 HIS A 51 15.281 -7.179 -3.846 1.00 0.00 C ATOM 780 CE1 HIS A 51 13.998 -5.615 -3.001 1.00 0.00 C ATOM 781 NE2 HIS A 51 14.866 -6.561 -2.692 1.00 0.00 N ATOM 0 H HIS A 51 13.520 -9.010 -6.572 1.00 0.00 H new ATOM 0 HA HIS A 51 12.626 -6.290 -6.510 1.00 0.00 H new ATOM 0 HB2 HIS A 51 15.265 -7.749 -6.529 1.00 0.00 H new ATOM 0 HB3 HIS A 51 15.243 -6.023 -6.830 1.00 0.00 H new ATOM 0 HD2 HIS A 51 15.989 -7.992 -3.918 1.00 0.00 H new ATOM 0 HE1 HIS A 51 13.501 -4.960 -2.301 1.00 0.00 H new ATOM 0 HE2 HIS A 51 15.178 -6.795 -1.749 1.00 0.00 H new ATOM 789 N ASP A 52 13.881 -7.514 -9.300 1.00 0.00 N ATOM 790 CA ASP A 52 14.013 -7.273 -10.733 1.00 0.00 C ATOM 791 C ASP A 52 12.728 -6.683 -11.305 1.00 0.00 C ATOM 792 O ASP A 52 12.764 -5.730 -12.084 1.00 0.00 O ATOM 793 CB ASP A 52 14.360 -8.573 -11.460 1.00 0.00 C ATOM 794 CG ASP A 52 15.826 -8.935 -11.330 1.00 0.00 C ATOM 795 OD1 ASP A 52 16.339 -8.933 -10.192 1.00 0.00 O ATOM 796 OD2 ASP A 52 16.462 -9.219 -12.367 1.00 0.00 O ATOM 0 H ASP A 52 14.180 -8.442 -8.999 1.00 0.00 H new ATOM 0 HA ASP A 52 14.819 -6.555 -10.883 1.00 0.00 H new ATOM 0 HB2 ASP A 52 13.752 -9.384 -11.059 1.00 0.00 H new ATOM 0 HB3 ASP A 52 14.105 -8.475 -12.515 1.00 0.00 H new ATOM 801 N ILE A 53 11.594 -7.255 -10.914 1.00 0.00 N ATOM 802 CA ILE A 53 10.299 -6.786 -11.388 1.00 0.00 C ATOM 803 C ILE A 53 9.825 -5.578 -10.588 1.00 0.00 C ATOM 804 O ILE A 53 9.628 -4.494 -11.138 1.00 0.00 O ATOM 805 CB ILE A 53 9.233 -7.894 -11.303 1.00 0.00 C ATOM 806 CG1 ILE A 53 9.654 -9.103 -12.141 1.00 0.00 C ATOM 807 CG2 ILE A 53 7.882 -7.367 -11.766 1.00 0.00 C ATOM 808 CD1 ILE A 53 10.468 -10.118 -11.369 1.00 0.00 C ATOM 0 H ILE A 53 11.547 -8.044 -10.270 1.00 0.00 H new ATOM 0 HA ILE A 53 10.431 -6.499 -12.431 1.00 0.00 H new ATOM 0 HB ILE A 53 9.141 -8.210 -10.264 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.762 -9.589 -12.537 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.235 -8.758 -12.996 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.139 -8.162 -11.700 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.579 -6.534 -11.131 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.959 -7.027 -12.799 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.732 -10.948 -12.025 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.378 -9.647 -10.996 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.882 -10.491 -10.529 1.00 0.00 H new ATOM 820 N ILE A 54 9.646 -5.771 -9.285 1.00 0.00 N ATOM 821 CA ILE A 54 9.199 -4.696 -8.408 1.00 0.00 C ATOM 822 C ILE A 54 10.229 -3.574 -8.345 1.00 0.00 C ATOM 823 O ILE A 54 11.416 -3.816 -8.124 1.00 0.00 O ATOM 824 CB ILE A 54 8.927 -5.210 -6.982 1.00 0.00 C ATOM 825 CG1 ILE A 54 7.933 -6.372 -7.015 1.00 0.00 C ATOM 826 CG2 ILE A 54 8.404 -4.083 -6.104 1.00 0.00 C ATOM 827 CD1 ILE A 54 6.592 -6.003 -7.611 1.00 0.00 C ATOM 0 H ILE A 54 9.804 -6.662 -8.814 1.00 0.00 H new ATOM 0 HA ILE A 54 8.271 -4.310 -8.829 1.00 0.00 H new ATOM 0 HB ILE A 54 9.864 -5.571 -6.557 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.364 -7.192 -7.590 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.782 -6.739 -6.000 1.00 0.00 H new ATOM 0 HG21 ILE A 54 8.216 -4.462 -5.099 1.00 0.00 H new ATOM 0 HG22 ILE A 54 9.144 -3.284 -6.058 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.476 -3.695 -6.524 1.00 0.00 H new ATOM 0 HD11 ILE A 54 5.938 -6.875 -7.602 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.140 -5.204 -7.023 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.731 -5.664 -8.638 1.00 0.00 H new ATOM 839 N LYS A 55 9.767 -2.343 -8.538 1.00 0.00 N ATOM 840 CA LYS A 55 10.646 -1.180 -8.500 1.00 0.00 C ATOM 841 C LYS A 55 10.769 -0.637 -7.080 1.00 0.00 C ATOM 842 O LYS A 55 11.869 -0.343 -6.610 1.00 0.00 O ATOM 843 CB LYS A 55 10.120 -0.086 -9.432 1.00 0.00 C ATOM 844 CG LYS A 55 10.621 -0.211 -10.860 1.00 0.00 C ATOM 845 CD LYS A 55 10.779 1.150 -11.517 1.00 0.00 C ATOM 846 CE LYS A 55 12.180 1.708 -11.313 1.00 0.00 C ATOM 847 NZ LYS A 55 13.128 1.218 -12.352 1.00 0.00 N ATOM 0 H LYS A 55 8.788 -2.125 -8.722 1.00 0.00 H new ATOM 0 HA LYS A 55 11.634 -1.492 -8.838 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.030 -0.115 -9.434 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.412 0.887 -9.037 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.578 -0.732 -10.866 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.924 -0.817 -11.439 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.571 1.067 -12.584 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.046 1.843 -11.103 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.145 2.797 -11.338 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.544 1.424 -10.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.071 1.620 -12.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.181 0.180 -12.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.794 1.511 -13.292 1.00 0.00 H new ATOM 861 N HIS A 56 9.634 -0.508 -6.400 1.00 0.00 N ATOM 862 CA HIS A 56 9.616 -0.002 -5.032 1.00 0.00 C ATOM 863 C HIS A 56 8.538 -0.701 -4.209 1.00 0.00 C ATOM 864 O HIS A 56 7.345 -0.435 -4.350 1.00 0.00 O ATOM 865 CB HIS A 56 9.378 1.508 -5.028 1.00 0.00 C ATOM 866 CG HIS A 56 10.401 2.278 -5.805 1.00 0.00 C ATOM 867 ND1 HIS A 56 11.739 2.299 -5.473 1.00 0.00 N ATOM 868 CD2 HIS A 56 10.275 3.056 -6.905 1.00 0.00 C ATOM 869 CE1 HIS A 56 12.392 3.058 -6.335 1.00 0.00 C ATOM 870 NE2 HIS A 56 11.527 3.529 -7.214 1.00 0.00 N ATOM 0 H HIS A 56 8.715 -0.747 -6.774 1.00 0.00 H new ATOM 0 HA HIS A 56 10.586 -0.211 -4.580 1.00 0.00 H new ATOM 0 HB2 HIS A 56 8.390 1.713 -5.441 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.373 1.864 -3.998 1.00 0.00 H new ATOM 0 HD2 HIS A 56 9.361 3.266 -7.440 1.00 0.00 H new ATOM 0 HE1 HIS A 56 13.453 3.259 -6.323 1.00 0.00 H new ATOM 0 HE2 HIS A 56 11.752 4.144 -7.996 1.00 0.00 H new ATOM 878 N PRO A 57 8.967 -1.618 -3.329 1.00 0.00 N ATOM 879 CA PRO A 57 8.055 -2.375 -2.466 1.00 0.00 C ATOM 880 C PRO A 57 7.414 -1.502 -1.393 1.00 0.00 C ATOM 881 O PRO A 57 8.104 -0.774 -0.679 1.00 0.00 O ATOM 882 CB PRO A 57 8.963 -3.428 -1.827 1.00 0.00 C ATOM 883 CG PRO A 57 10.325 -2.825 -1.861 1.00 0.00 C ATOM 884 CD PRO A 57 10.376 -1.987 -3.108 1.00 0.00 C ATOM 0 HA PRO A 57 7.220 -2.796 -3.026 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.654 -3.650 -0.806 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.932 -4.366 -2.381 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.505 -2.217 -0.975 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.094 -3.598 -1.878 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.006 -1.107 -2.975 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.782 -2.546 -3.951 1.00 0.00 H new ATOM 892 N MET A 58 6.092 -1.579 -1.285 1.00 0.00 N ATOM 893 CA MET A 58 5.359 -0.796 -0.297 1.00 0.00 C ATOM 894 C MET A 58 4.486 -1.696 0.571 1.00 0.00 C ATOM 895 O MET A 58 4.048 -2.760 0.134 1.00 0.00 O ATOM 896 CB MET A 58 4.495 0.259 -0.989 1.00 0.00 C ATOM 897 CG MET A 58 3.765 1.177 -0.023 1.00 0.00 C ATOM 898 SD MET A 58 4.891 2.172 0.975 1.00 0.00 S ATOM 899 CE MET A 58 5.726 3.117 -0.298 1.00 0.00 C ATOM 0 H MET A 58 5.506 -2.176 -1.869 1.00 0.00 H new ATOM 0 HA MET A 58 6.085 -0.296 0.344 1.00 0.00 H new ATOM 0 HB2 MET A 58 5.126 0.861 -1.643 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.764 -0.242 -1.624 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.104 1.837 -0.584 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.135 0.579 0.635 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.223 3.976 0.153 1.00 0.00 H new ATOM 0 HE2 MET A 58 6.466 2.488 -0.792 1.00 0.00 H new ATOM 0 HE3 MET A 58 4.997 3.463 -1.031 1.00 0.00 H new ATOM 909 N ASP A 59 4.236 -1.263 1.802 1.00 0.00 N ATOM 910 CA ASP A 59 3.414 -2.030 2.731 1.00 0.00 C ATOM 911 C ASP A 59 2.746 -1.112 3.750 1.00 0.00 C ATOM 912 O ASP A 59 3.333 -0.122 4.188 1.00 0.00 O ATOM 913 CB ASP A 59 4.263 -3.079 3.450 1.00 0.00 C ATOM 914 CG ASP A 59 5.654 -2.573 3.778 1.00 0.00 C ATOM 915 OD1 ASP A 59 5.792 -1.368 4.076 1.00 0.00 O ATOM 916 OD2 ASP A 59 6.605 -3.381 3.735 1.00 0.00 O ATOM 0 H ASP A 59 4.591 -0.385 2.180 1.00 0.00 H new ATOM 0 HA ASP A 59 2.636 -2.535 2.158 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.762 -3.379 4.371 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.341 -3.969 2.826 1.00 0.00 H new ATOM 921 N LEU A 60 1.515 -1.447 4.122 1.00 0.00 N ATOM 922 CA LEU A 60 0.766 -0.653 5.090 1.00 0.00 C ATOM 923 C LEU A 60 1.688 -0.101 6.172 1.00 0.00 C ATOM 924 O LEU A 60 1.645 1.087 6.492 1.00 0.00 O ATOM 925 CB LEU A 60 -0.338 -1.498 5.727 1.00 0.00 C ATOM 926 CG LEU A 60 -1.542 -1.811 4.837 1.00 0.00 C ATOM 927 CD1 LEU A 60 -2.499 -2.756 5.546 1.00 0.00 C ATOM 928 CD2 LEU A 60 -2.256 -0.528 4.436 1.00 0.00 C ATOM 0 H LEU A 60 1.015 -2.262 3.768 1.00 0.00 H new ATOM 0 HA LEU A 60 0.314 0.186 4.562 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.099 -2.440 6.058 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.695 -0.982 6.618 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.183 -2.302 3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.349 -2.967 4.897 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.983 -3.687 5.782 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.852 -2.293 6.467 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.110 -0.769 3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.602 -0.010 5.330 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.568 0.115 3.887 1.00 0.00 H new ATOM 940 N SER A 61 2.523 -0.971 6.731 1.00 0.00 N ATOM 941 CA SER A 61 3.455 -0.571 7.779 1.00 0.00 C ATOM 942 C SER A 61 4.017 0.820 7.504 1.00 0.00 C ATOM 943 O SER A 61 3.977 1.701 8.364 1.00 0.00 O ATOM 944 CB SER A 61 4.597 -1.583 7.888 1.00 0.00 C ATOM 945 OG SER A 61 5.315 -1.675 6.669 1.00 0.00 O ATOM 0 H SER A 61 2.573 -1.957 6.476 1.00 0.00 H new ATOM 0 HA SER A 61 2.912 -0.544 8.724 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.273 -1.288 8.691 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.196 -2.562 8.152 1.00 0.00 H new ATOM 0 HG SER A 61 6.040 -2.327 6.765 1.00 0.00 H new ATOM 951 N THR A 62 4.542 1.012 6.298 1.00 0.00 N ATOM 952 CA THR A 62 5.113 2.295 5.908 1.00 0.00 C ATOM 953 C THR A 62 4.044 3.380 5.853 1.00 0.00 C ATOM 954 O THR A 62 4.218 4.466 6.406 1.00 0.00 O ATOM 955 CB THR A 62 5.810 2.206 4.537 1.00 0.00 C ATOM 956 OG1 THR A 62 6.873 1.248 4.588 1.00 0.00 O ATOM 957 CG2 THR A 62 6.361 3.562 4.122 1.00 0.00 C ATOM 0 H THR A 62 4.584 0.295 5.574 1.00 0.00 H new ATOM 0 HA THR A 62 5.851 2.556 6.667 1.00 0.00 H new ATOM 0 HB THR A 62 5.073 1.889 3.799 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.517 0.354 4.401 1.00 0.00 H new ATOM 0 HG21 THR A 62 6.849 3.475 3.151 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.545 4.281 4.055 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.085 3.903 4.862 1.00 0.00 H new ATOM 965 N VAL A 63 2.936 3.078 5.183 1.00 0.00 N ATOM 966 CA VAL A 63 1.836 4.028 5.058 1.00 0.00 C ATOM 967 C VAL A 63 1.425 4.575 6.420 1.00 0.00 C ATOM 968 O VAL A 63 1.216 5.778 6.581 1.00 0.00 O ATOM 969 CB VAL A 63 0.611 3.381 4.385 1.00 0.00 C ATOM 970 CG1 VAL A 63 -0.541 4.372 4.308 1.00 0.00 C ATOM 971 CG2 VAL A 63 0.974 2.865 3.000 1.00 0.00 C ATOM 0 H VAL A 63 2.776 2.184 4.719 1.00 0.00 H new ATOM 0 HA VAL A 63 2.194 4.847 4.434 1.00 0.00 H new ATOM 0 HB VAL A 63 0.291 2.533 4.991 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.398 3.897 3.830 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.816 4.689 5.314 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.235 5.241 3.725 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.097 2.411 2.539 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.320 3.694 2.382 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.765 2.120 3.085 1.00 0.00 H new ATOM 981 N LYS A 64 1.309 3.684 7.399 1.00 0.00 N ATOM 982 CA LYS A 64 0.924 4.077 8.749 1.00 0.00 C ATOM 983 C LYS A 64 2.023 4.902 9.410 1.00 0.00 C ATOM 984 O LYS A 64 1.750 5.916 10.054 1.00 0.00 O ATOM 985 CB LYS A 64 0.623 2.838 9.596 1.00 0.00 C ATOM 986 CG LYS A 64 0.320 3.154 11.050 1.00 0.00 C ATOM 987 CD LYS A 64 0.632 1.974 11.955 1.00 0.00 C ATOM 988 CE LYS A 64 -0.212 2.002 13.220 1.00 0.00 C ATOM 989 NZ LYS A 64 0.402 1.201 14.314 1.00 0.00 N ATOM 0 H LYS A 64 1.476 2.685 7.282 1.00 0.00 H new ATOM 0 HA LYS A 64 0.026 4.690 8.680 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.227 2.310 9.163 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.476 2.161 9.550 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.904 4.019 11.364 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.731 3.424 11.153 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.451 1.044 11.417 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.689 1.988 12.221 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.336 3.033 13.551 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.207 1.615 13.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.203 1.245 15.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.498 0.212 14.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.341 1.586 14.541 1.00 0.00 H new ATOM 1003 N ARG A 65 3.267 4.463 9.246 1.00 0.00 N ATOM 1004 CA ARG A 65 4.407 5.162 9.827 1.00 0.00 C ATOM 1005 C ARG A 65 4.494 6.591 9.300 1.00 0.00 C ATOM 1006 O ARG A 65 4.697 7.535 10.064 1.00 0.00 O ATOM 1007 CB ARG A 65 5.704 4.412 9.516 1.00 0.00 C ATOM 1008 CG ARG A 65 6.007 3.289 10.495 1.00 0.00 C ATOM 1009 CD ARG A 65 6.598 3.824 11.790 1.00 0.00 C ATOM 1010 NE ARG A 65 8.055 3.902 11.737 1.00 0.00 N ATOM 1011 CZ ARG A 65 8.857 2.878 12.010 1.00 0.00 C ATOM 1012 NH1 ARG A 65 8.345 1.705 12.354 1.00 0.00 N ATOM 1013 NH2 ARG A 65 10.173 3.027 11.939 1.00 0.00 N ATOM 0 H ARG A 65 3.511 3.627 8.716 1.00 0.00 H new ATOM 0 HA ARG A 65 4.267 5.199 10.907 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.642 3.999 8.509 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.533 5.120 9.520 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.092 2.737 10.712 1.00 0.00 H new ATOM 0 HG3 ARG A 65 6.704 2.585 10.039 1.00 0.00 H new ATOM 0 HD2 ARG A 65 6.189 4.814 11.993 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.300 3.180 12.617 1.00 0.00 H new ATOM 0 HE ARG A 65 8.481 4.791 11.476 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.333 1.587 12.410 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.963 0.921 12.563 1.00 0.00 H new ATOM 0 HH21 ARG A 65 10.571 3.928 11.675 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.787 2.240 12.149 1.00 0.00 H new ATOM 1027 N LYS A 66 4.341 6.743 7.989 1.00 0.00 N ATOM 1028 CA LYS A 66 4.401 8.057 7.359 1.00 0.00 C ATOM 1029 C LYS A 66 3.219 8.921 7.786 1.00 0.00 C ATOM 1030 O LYS A 66 3.396 9.968 8.406 1.00 0.00 O ATOM 1031 CB LYS A 66 4.417 7.913 5.835 1.00 0.00 C ATOM 1032 CG LYS A 66 5.774 7.524 5.275 1.00 0.00 C ATOM 1033 CD LYS A 66 5.723 7.339 3.767 1.00 0.00 C ATOM 1034 CE LYS A 66 5.635 8.675 3.044 1.00 0.00 C ATOM 1035 NZ LYS A 66 6.964 9.338 2.942 1.00 0.00 N ATOM 0 H LYS A 66 4.174 5.972 7.342 1.00 0.00 H new ATOM 0 HA LYS A 66 5.320 8.546 7.682 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.683 7.162 5.542 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.105 8.856 5.386 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.505 8.293 5.524 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.111 6.600 5.745 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.612 6.802 3.435 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.862 6.724 3.504 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.228 8.521 2.045 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.942 9.329 3.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.862 10.245 2.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.341 9.508 3.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.618 8.725 2.415 1.00 0.00 H new ATOM 1049 N MET A 67 2.013 8.473 7.452 1.00 0.00 N ATOM 1050 CA MET A 67 0.802 9.205 7.804 1.00 0.00 C ATOM 1051 C MET A 67 0.796 9.564 9.286 1.00 0.00 C ATOM 1052 O MET A 67 0.510 10.703 9.657 1.00 0.00 O ATOM 1053 CB MET A 67 -0.438 8.375 7.463 1.00 0.00 C ATOM 1054 CG MET A 67 -1.746 9.061 7.823 1.00 0.00 C ATOM 1055 SD MET A 67 -1.940 10.657 7.007 1.00 0.00 S ATOM 1056 CE MET A 67 -3.305 10.308 5.901 1.00 0.00 C ATOM 0 H MET A 67 1.849 7.607 6.938 1.00 0.00 H new ATOM 0 HA MET A 67 0.783 10.128 7.225 1.00 0.00 H new ATOM 0 HB2 MET A 67 -0.435 8.154 6.396 1.00 0.00 H new ATOM 0 HB3 MET A 67 -0.382 7.421 7.986 1.00 0.00 H new ATOM 0 HG2 MET A 67 -2.579 8.413 7.549 1.00 0.00 H new ATOM 0 HG3 MET A 67 -1.793 9.201 8.903 1.00 0.00 H new ATOM 0 HE1 MET A 67 -3.056 10.650 4.896 1.00 0.00 H new ATOM 0 HE2 MET A 67 -3.493 9.235 5.883 1.00 0.00 H new ATOM 0 HE3 MET A 67 -4.198 10.827 6.250 1.00 0.00 H new ATOM 1066 N ASP A 68 1.112 8.587 10.129 1.00 0.00 N ATOM 1067 CA ASP A 68 1.144 8.802 11.571 1.00 0.00 C ATOM 1068 C ASP A 68 2.040 9.985 11.925 1.00 0.00 C ATOM 1069 O ASP A 68 1.651 10.863 12.693 1.00 0.00 O ATOM 1070 CB ASP A 68 1.636 7.542 12.284 1.00 0.00 C ATOM 1071 CG ASP A 68 1.558 7.663 13.794 1.00 0.00 C ATOM 1072 OD1 ASP A 68 0.479 8.029 14.305 1.00 0.00 O ATOM 1073 OD2 ASP A 68 2.576 7.392 14.464 1.00 0.00 O ATOM 0 H ASP A 68 1.350 7.639 9.839 1.00 0.00 H new ATOM 0 HA ASP A 68 0.130 9.026 11.903 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.041 6.689 11.960 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.667 7.341 11.991 1.00 0.00 H new ATOM 1078 N GLY A 69 3.244 9.999 11.360 1.00 0.00 N ATOM 1079 CA GLY A 69 4.177 11.077 11.629 1.00 0.00 C ATOM 1080 C GLY A 69 3.949 12.278 10.732 1.00 0.00 C ATOM 1081 O GLY A 69 4.884 13.016 10.421 1.00 0.00 O ATOM 0 H GLY A 69 3.589 9.283 10.721 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.084 11.383 12.671 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.196 10.714 11.493 1.00 0.00 H new ATOM 1085 N ARG A 70 2.702 12.475 10.315 1.00 0.00 N ATOM 1086 CA ARG A 70 2.355 13.593 9.446 1.00 0.00 C ATOM 1087 C ARG A 70 3.412 13.789 8.363 1.00 0.00 C ATOM 1088 O ARG A 70 3.793 14.917 8.051 1.00 0.00 O ATOM 1089 CB ARG A 70 2.206 14.876 10.266 1.00 0.00 C ATOM 1090 CG ARG A 70 1.188 14.766 11.389 1.00 0.00 C ATOM 1091 CD ARG A 70 -0.230 14.675 10.849 1.00 0.00 C ATOM 1092 NE ARG A 70 -1.226 14.997 11.867 1.00 0.00 N ATOM 1093 CZ ARG A 70 -1.655 14.129 12.777 1.00 0.00 C ATOM 1094 NH1 ARG A 70 -1.177 12.893 12.795 1.00 0.00 N ATOM 1095 NH2 ARG A 70 -2.563 14.498 13.671 1.00 0.00 N ATOM 0 H ARG A 70 1.916 11.875 10.565 1.00 0.00 H new ATOM 0 HA ARG A 70 1.404 13.365 8.964 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.175 15.141 10.690 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.915 15.690 9.602 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.405 13.885 11.993 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.274 15.632 12.045 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.341 15.356 10.005 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -0.410 13.668 10.472 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.614 15.940 11.880 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -0.478 12.606 12.109 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.508 12.228 13.495 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.932 15.449 13.660 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.892 13.831 14.369 1.00 0.00 H new ATOM 1109 N GLU A 71 3.881 12.683 7.794 1.00 0.00 N ATOM 1110 CA GLU A 71 4.895 12.733 6.747 1.00 0.00 C ATOM 1111 C GLU A 71 4.270 13.091 5.402 1.00 0.00 C ATOM 1112 O GLU A 71 4.833 13.867 4.630 1.00 0.00 O ATOM 1113 CB GLU A 71 5.621 11.391 6.644 1.00 0.00 C ATOM 1114 CG GLU A 71 6.382 11.012 7.904 1.00 0.00 C ATOM 1115 CD GLU A 71 7.413 9.927 7.659 1.00 0.00 C ATOM 1116 OE1 GLU A 71 8.214 10.072 6.713 1.00 0.00 O ATOM 1117 OE2 GLU A 71 7.417 8.932 8.414 1.00 0.00 O ATOM 0 H GLU A 71 3.575 11.742 8.040 1.00 0.00 H new ATOM 0 HA GLU A 71 5.615 13.507 7.011 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.894 10.610 6.420 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.317 11.428 5.806 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.879 11.896 8.304 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.676 10.673 8.662 1.00 0.00 H new ATOM 1124 N TYR A 72 3.103 12.518 5.128 1.00 0.00 N ATOM 1125 CA TYR A 72 2.403 12.772 3.875 1.00 0.00 C ATOM 1126 C TYR A 72 2.025 14.246 3.751 1.00 0.00 C ATOM 1127 O TYR A 72 1.415 14.834 4.644 1.00 0.00 O ATOM 1128 CB TYR A 72 1.147 11.903 3.782 1.00 0.00 C ATOM 1129 CG TYR A 72 1.435 10.458 3.445 1.00 0.00 C ATOM 1130 CD1 TYR A 72 2.093 10.116 2.270 1.00 0.00 C ATOM 1131 CD2 TYR A 72 1.048 9.434 4.301 1.00 0.00 C ATOM 1132 CE1 TYR A 72 2.358 8.797 1.958 1.00 0.00 C ATOM 1133 CE2 TYR A 72 1.309 8.112 3.997 1.00 0.00 C ATOM 1134 CZ TYR A 72 1.964 7.798 2.824 1.00 0.00 C ATOM 1135 OH TYR A 72 2.226 6.483 2.517 1.00 0.00 O ATOM 0 H TYR A 72 2.622 11.875 5.757 1.00 0.00 H new ATOM 0 HA TYR A 72 3.075 12.517 3.055 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.614 11.947 4.732 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.483 12.319 3.024 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.403 10.895 1.589 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.534 9.676 5.220 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.871 8.549 1.041 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.002 7.328 4.674 1.00 0.00 H new ATOM 0 HH TYR A 72 1.383 5.986 2.459 1.00 0.00 H new ATOM 1145 N PRO A 73 2.396 14.857 2.617 1.00 0.00 N ATOM 1146 CA PRO A 73 2.107 16.269 2.347 1.00 0.00 C ATOM 1147 C PRO A 73 0.621 16.522 2.113 1.00 0.00 C ATOM 1148 O PRO A 73 0.055 17.480 2.638 1.00 0.00 O ATOM 1149 CB PRO A 73 2.906 16.558 1.074 1.00 0.00 C ATOM 1150 CG PRO A 73 3.043 15.234 0.404 1.00 0.00 C ATOM 1151 CD PRO A 73 3.126 14.218 1.509 1.00 0.00 C ATOM 0 HA PRO A 73 2.375 16.908 3.188 1.00 0.00 H new ATOM 0 HB2 PRO A 73 2.388 17.273 0.435 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.881 16.987 1.307 1.00 0.00 H new ATOM 0 HG2 PRO A 73 2.191 15.035 -0.246 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.935 15.204 -0.222 1.00 0.00 H new ATOM 0 HD2 PRO A 73 2.669 13.272 1.220 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.160 14.003 1.780 1.00 0.00 H new ATOM 1159 N ASP A 74 -0.004 15.656 1.323 1.00 0.00 N ATOM 1160 CA ASP A 74 -1.425 15.785 1.021 1.00 0.00 C ATOM 1161 C ASP A 74 -2.027 14.432 0.653 1.00 0.00 C ATOM 1162 O ASP A 74 -1.319 13.429 0.567 1.00 0.00 O ATOM 1163 CB ASP A 74 -1.637 16.779 -0.122 1.00 0.00 C ATOM 1164 CG ASP A 74 -0.790 18.027 0.033 1.00 0.00 C ATOM 1165 OD1 ASP A 74 -1.191 18.924 0.804 1.00 0.00 O ATOM 1166 OD2 ASP A 74 0.273 18.108 -0.618 1.00 0.00 O ATOM 0 H ASP A 74 0.451 14.857 0.880 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.929 16.156 1.913 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.397 16.296 -1.069 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.689 17.060 -0.165 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.338 14.413 0.437 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.035 13.184 0.077 1.00 0.00 C ATOM 1173 C ALA A 75 -3.301 12.442 -1.034 1.00 0.00 C ATOM 1174 O ALA A 75 -3.145 11.222 -0.980 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.464 13.492 -0.345 1.00 0.00 C ATOM 0 H ALA A 75 -3.939 15.234 0.505 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.059 12.538 0.955 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.973 12.565 -0.611 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.992 13.972 0.479 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.453 14.160 -1.206 1.00 0.00 H new ATOM 1181 N GLN A 76 -2.853 13.185 -2.040 1.00 0.00 N ATOM 1182 CA GLN A 76 -2.136 12.596 -3.165 1.00 0.00 C ATOM 1183 C GLN A 76 -0.969 11.742 -2.680 1.00 0.00 C ATOM 1184 O GLN A 76 -0.803 10.601 -3.107 1.00 0.00 O ATOM 1185 CB GLN A 76 -1.627 13.691 -4.103 1.00 0.00 C ATOM 1186 CG GLN A 76 -2.737 14.447 -4.815 1.00 0.00 C ATOM 1187 CD GLN A 76 -3.773 13.524 -5.427 1.00 0.00 C ATOM 1188 OE1 GLN A 76 -3.445 12.442 -5.915 1.00 0.00 O ATOM 1189 NE2 GLN A 76 -5.031 13.948 -5.405 1.00 0.00 N ATOM 0 H GLN A 76 -2.974 14.196 -2.099 1.00 0.00 H new ATOM 0 HA GLN A 76 -2.830 11.955 -3.709 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.027 14.398 -3.530 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.969 13.243 -4.847 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -3.226 15.118 -4.108 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -2.303 15.070 -5.598 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.257 14.852 -4.990 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -5.771 13.370 -5.803 1.00 0.00 H new ATOM 1198 N GLY A 77 -0.163 12.305 -1.785 1.00 0.00 N ATOM 1199 CA GLY A 77 0.979 11.581 -1.257 1.00 0.00 C ATOM 1200 C GLY A 77 0.582 10.280 -0.589 1.00 0.00 C ATOM 1201 O GLY A 77 1.266 9.266 -0.732 1.00 0.00 O ATOM 0 H GLY A 77 -0.280 13.249 -1.416 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.678 11.372 -2.066 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.503 12.210 -0.538 1.00 0.00 H new ATOM 1205 N PHE A 78 -0.526 10.306 0.145 1.00 0.00 N ATOM 1206 CA PHE A 78 -1.011 9.120 0.840 1.00 0.00 C ATOM 1207 C PHE A 78 -1.459 8.052 -0.154 1.00 0.00 C ATOM 1208 O PHE A 78 -1.002 6.911 -0.103 1.00 0.00 O ATOM 1209 CB PHE A 78 -2.171 9.486 1.769 1.00 0.00 C ATOM 1210 CG PHE A 78 -2.955 8.297 2.246 1.00 0.00 C ATOM 1211 CD1 PHE A 78 -2.440 7.458 3.221 1.00 0.00 C ATOM 1212 CD2 PHE A 78 -4.206 8.020 1.720 1.00 0.00 C ATOM 1213 CE1 PHE A 78 -3.160 6.363 3.661 1.00 0.00 C ATOM 1214 CE2 PHE A 78 -4.930 6.926 2.157 1.00 0.00 C ATOM 1215 CZ PHE A 78 -4.406 6.097 3.130 1.00 0.00 C ATOM 0 H PHE A 78 -1.105 11.136 0.274 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.191 8.717 1.435 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.779 10.023 2.633 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.842 10.168 1.248 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.466 7.662 3.641 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.621 8.666 0.960 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.747 5.715 4.420 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.904 6.720 1.738 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.970 5.243 3.474 1.00 0.00 H new ATOM 1225 N ALA A 79 -2.357 8.433 -1.057 1.00 0.00 N ATOM 1226 CA ALA A 79 -2.866 7.509 -2.064 1.00 0.00 C ATOM 1227 C ALA A 79 -1.736 6.968 -2.934 1.00 0.00 C ATOM 1228 O ALA A 79 -1.629 5.761 -3.148 1.00 0.00 O ATOM 1229 CB ALA A 79 -3.916 8.195 -2.926 1.00 0.00 C ATOM 0 H ALA A 79 -2.747 9.374 -1.112 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.328 6.667 -1.549 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.288 7.494 -3.674 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.742 8.527 -2.298 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.471 9.056 -3.425 1.00 0.00 H new ATOM 1235 N ALA A 80 -0.896 7.869 -3.432 1.00 0.00 N ATOM 1236 CA ALA A 80 0.226 7.481 -4.278 1.00 0.00 C ATOM 1237 C ALA A 80 0.877 6.198 -3.772 1.00 0.00 C ATOM 1238 O ALA A 80 1.151 5.282 -4.548 1.00 0.00 O ATOM 1239 CB ALA A 80 1.251 8.604 -4.343 1.00 0.00 C ATOM 0 H ALA A 80 -0.971 8.872 -3.264 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.156 7.293 -5.282 1.00 0.00 H new ATOM 0 HB1 ALA A 80 2.083 8.301 -4.978 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.785 9.498 -4.758 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.619 8.819 -3.340 1.00 0.00 H new ATOM 1245 N ASP A 81 1.121 6.138 -2.467 1.00 0.00 N ATOM 1246 CA ASP A 81 1.739 4.966 -1.858 1.00 0.00 C ATOM 1247 C ASP A 81 0.802 3.764 -1.918 1.00 0.00 C ATOM 1248 O ASP A 81 1.111 2.754 -2.550 1.00 0.00 O ATOM 1249 CB ASP A 81 2.118 5.261 -0.406 1.00 0.00 C ATOM 1250 CG ASP A 81 3.326 6.171 -0.296 1.00 0.00 C ATOM 1251 OD1 ASP A 81 3.243 7.325 -0.765 1.00 0.00 O ATOM 1252 OD2 ASP A 81 4.354 5.729 0.259 1.00 0.00 O ATOM 0 H ASP A 81 0.900 6.887 -1.811 1.00 0.00 H new ATOM 0 HA ASP A 81 2.642 4.728 -2.420 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.271 5.724 0.101 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.325 4.323 0.110 1.00 0.00 H new ATOM 1257 N VAL A 82 -0.345 3.880 -1.256 1.00 0.00 N ATOM 1258 CA VAL A 82 -1.327 2.803 -1.234 1.00 0.00 C ATOM 1259 C VAL A 82 -1.479 2.170 -2.612 1.00 0.00 C ATOM 1260 O VAL A 82 -1.348 0.955 -2.766 1.00 0.00 O ATOM 1261 CB VAL A 82 -2.703 3.308 -0.759 1.00 0.00 C ATOM 1262 CG1 VAL A 82 -3.723 2.180 -0.782 1.00 0.00 C ATOM 1263 CG2 VAL A 82 -2.596 3.914 0.632 1.00 0.00 C ATOM 0 H VAL A 82 -0.617 4.709 -0.728 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.960 2.054 -0.532 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.042 4.085 -1.444 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.689 2.556 -0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.819 1.797 -1.798 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.394 1.378 -0.121 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.577 4.266 0.952 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.235 3.159 1.331 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.899 4.752 0.611 1.00 0.00 H new ATOM 1273 N ARG A 83 -1.755 3.000 -3.612 1.00 0.00 N ATOM 1274 CA ARG A 83 -1.925 2.521 -4.979 1.00 0.00 C ATOM 1275 C ARG A 83 -0.763 1.620 -5.387 1.00 0.00 C ATOM 1276 O ARG A 83 -0.950 0.435 -5.664 1.00 0.00 O ATOM 1277 CB ARG A 83 -2.034 3.701 -5.946 1.00 0.00 C ATOM 1278 CG ARG A 83 -3.402 4.364 -5.946 1.00 0.00 C ATOM 1279 CD ARG A 83 -3.407 5.630 -6.788 1.00 0.00 C ATOM 1280 NE ARG A 83 -3.711 5.354 -8.189 1.00 0.00 N ATOM 1281 CZ ARG A 83 -3.366 6.158 -9.189 1.00 0.00 C ATOM 1282 NH1 ARG A 83 -2.707 7.282 -8.942 1.00 0.00 N ATOM 1283 NH2 ARG A 83 -3.678 5.838 -10.438 1.00 0.00 N ATOM 0 H ARG A 83 -1.866 4.008 -3.502 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.846 1.939 -5.022 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.280 4.444 -5.686 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.807 3.356 -6.955 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.146 3.666 -6.331 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.691 4.605 -4.923 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.142 6.328 -6.388 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.434 6.116 -6.717 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.216 4.497 -8.413 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.464 7.531 -7.983 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.443 7.898 -9.711 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.184 4.974 -10.632 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.412 6.456 -11.204 1.00 0.00 H new ATOM 1297 N LEU A 84 0.436 2.191 -5.424 1.00 0.00 N ATOM 1298 CA LEU A 84 1.629 1.440 -5.799 1.00 0.00 C ATOM 1299 C LEU A 84 1.615 0.048 -5.176 1.00 0.00 C ATOM 1300 O LEU A 84 1.816 -0.953 -5.864 1.00 0.00 O ATOM 1301 CB LEU A 84 2.888 2.193 -5.364 1.00 0.00 C ATOM 1302 CG LEU A 84 4.211 1.446 -5.538 1.00 0.00 C ATOM 1303 CD1 LEU A 84 4.680 1.521 -6.983 1.00 0.00 C ATOM 1304 CD2 LEU A 84 5.269 2.011 -4.602 1.00 0.00 C ATOM 0 H LEU A 84 0.608 3.171 -5.199 1.00 0.00 H new ATOM 0 HA LEU A 84 1.634 1.332 -6.884 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.943 3.124 -5.928 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.781 2.462 -4.313 1.00 0.00 H new ATOM 0 HG LEU A 84 4.051 0.398 -5.283 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.623 0.984 -7.088 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.931 1.069 -7.633 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.823 2.564 -7.265 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.204 1.468 -4.739 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.426 3.066 -4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.936 1.905 -3.570 1.00 0.00 H new ATOM 1316 N MET A 85 1.375 -0.008 -3.870 1.00 0.00 N ATOM 1317 CA MET A 85 1.331 -1.278 -3.155 1.00 0.00 C ATOM 1318 C MET A 85 0.509 -2.307 -3.924 1.00 0.00 C ATOM 1319 O MET A 85 0.991 -3.397 -4.233 1.00 0.00 O ATOM 1320 CB MET A 85 0.743 -1.081 -1.757 1.00 0.00 C ATOM 1321 CG MET A 85 0.896 -2.296 -0.856 1.00 0.00 C ATOM 1322 SD MET A 85 0.072 -2.089 0.734 1.00 0.00 S ATOM 1323 CE MET A 85 -1.632 -1.907 0.212 1.00 0.00 C ATOM 0 H MET A 85 1.208 0.811 -3.286 1.00 0.00 H new ATOM 0 HA MET A 85 2.352 -1.649 -3.063 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.227 -0.226 -1.285 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.316 -0.838 -1.848 1.00 0.00 H new ATOM 0 HG2 MET A 85 0.488 -3.172 -1.361 1.00 0.00 H new ATOM 0 HG3 MET A 85 1.956 -2.489 -0.689 1.00 0.00 H new ATOM 0 HE1 MET A 85 -2.278 -2.491 0.868 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.918 -0.856 0.262 1.00 0.00 H new ATOM 0 HE3 MET A 85 -1.739 -2.263 -0.813 1.00 0.00 H new ATOM 1333 N PHE A 86 -0.735 -1.954 -4.231 1.00 0.00 N ATOM 1334 CA PHE A 86 -1.625 -2.848 -4.963 1.00 0.00 C ATOM 1335 C PHE A 86 -1.024 -3.228 -6.313 1.00 0.00 C ATOM 1336 O PHE A 86 -1.065 -4.389 -6.718 1.00 0.00 O ATOM 1337 CB PHE A 86 -2.990 -2.188 -5.168 1.00 0.00 C ATOM 1338 CG PHE A 86 -3.830 -2.148 -3.923 1.00 0.00 C ATOM 1339 CD1 PHE A 86 -4.444 -3.297 -3.449 1.00 0.00 C ATOM 1340 CD2 PHE A 86 -4.006 -0.963 -3.227 1.00 0.00 C ATOM 1341 CE1 PHE A 86 -5.217 -3.264 -2.304 1.00 0.00 C ATOM 1342 CE2 PHE A 86 -4.777 -0.925 -2.081 1.00 0.00 C ATOM 1343 CZ PHE A 86 -5.384 -2.076 -1.619 1.00 0.00 C ATOM 0 H PHE A 86 -1.150 -1.055 -3.984 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.753 -3.756 -4.373 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.842 -1.170 -5.530 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.532 -2.727 -5.945 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.317 -4.228 -3.981 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.535 -0.059 -3.584 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -5.690 -4.166 -1.945 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -4.905 0.005 -1.547 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.988 -2.048 -0.724 1.00 0.00 H new ATOM 1353 N SER A 87 -0.466 -2.240 -7.005 1.00 0.00 N ATOM 1354 CA SER A 87 0.140 -2.468 -8.311 1.00 0.00 C ATOM 1355 C SER A 87 1.202 -3.561 -8.234 1.00 0.00 C ATOM 1356 O SER A 87 1.171 -4.526 -8.996 1.00 0.00 O ATOM 1357 CB SER A 87 0.761 -1.175 -8.843 1.00 0.00 C ATOM 1358 OG SER A 87 1.559 -1.424 -9.987 1.00 0.00 O ATOM 0 H SER A 87 -0.421 -1.273 -6.683 1.00 0.00 H new ATOM 0 HA SER A 87 -0.644 -2.794 -8.995 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.028 -0.466 -9.094 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.369 -0.713 -8.065 1.00 0.00 H new ATOM 0 HG SER A 87 1.943 -0.581 -10.308 1.00 0.00 H new ATOM 1364 N ASN A 88 2.141 -3.400 -7.307 1.00 0.00 N ATOM 1365 CA ASN A 88 3.214 -4.372 -7.129 1.00 0.00 C ATOM 1366 C ASN A 88 2.648 -5.769 -6.893 1.00 0.00 C ATOM 1367 O ASN A 88 3.052 -6.732 -7.547 1.00 0.00 O ATOM 1368 CB ASN A 88 4.108 -3.966 -5.955 1.00 0.00 C ATOM 1369 CG ASN A 88 4.934 -2.731 -6.258 1.00 0.00 C ATOM 1370 OD1 ASN A 88 5.419 -2.554 -7.375 1.00 0.00 O ATOM 1371 ND2 ASN A 88 5.098 -1.870 -5.260 1.00 0.00 N ATOM 0 H ASN A 88 2.181 -2.606 -6.668 1.00 0.00 H new ATOM 0 HA ASN A 88 3.810 -4.390 -8.041 1.00 0.00 H new ATOM 0 HB2 ASN A 88 3.489 -3.779 -5.078 1.00 0.00 H new ATOM 0 HB3 ASN A 88 4.773 -4.793 -5.706 1.00 0.00 H new ATOM 0 HD21 ASN A 88 5.645 -1.021 -5.404 1.00 0.00 H new ATOM 0 HD22 ASN A 88 4.677 -2.058 -4.350 1.00 0.00 H new ATOM 1378 N CYS A 89 1.713 -5.872 -5.956 1.00 0.00 N ATOM 1379 CA CYS A 89 1.091 -7.152 -5.633 1.00 0.00 C ATOM 1380 C CYS A 89 0.958 -8.021 -6.879 1.00 0.00 C ATOM 1381 O CYS A 89 1.576 -9.081 -6.979 1.00 0.00 O ATOM 1382 CB CYS A 89 -0.284 -6.930 -5.001 1.00 0.00 C ATOM 1383 SG CYS A 89 -1.214 -8.451 -4.706 1.00 0.00 S ATOM 0 H CYS A 89 1.368 -5.085 -5.406 1.00 0.00 H new ATOM 0 HA CYS A 89 1.731 -7.669 -4.918 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -0.156 -6.405 -4.054 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.870 -6.279 -5.650 1.00 0.00 H new ATOM 0 HG CYS A 89 -2.137 -8.578 -5.613 1.00 0.00 H new ATOM 1389 N TYR A 90 0.145 -7.566 -7.827 1.00 0.00 N ATOM 1390 CA TYR A 90 -0.073 -8.304 -9.065 1.00 0.00 C ATOM 1391 C TYR A 90 1.150 -8.220 -9.972 1.00 0.00 C ATOM 1392 O TYR A 90 1.547 -9.207 -10.594 1.00 0.00 O ATOM 1393 CB TYR A 90 -1.303 -7.762 -9.796 1.00 0.00 C ATOM 1394 CG TYR A 90 -2.437 -7.379 -8.873 1.00 0.00 C ATOM 1395 CD1 TYR A 90 -2.956 -8.291 -7.962 1.00 0.00 C ATOM 1396 CD2 TYR A 90 -2.989 -6.104 -8.910 1.00 0.00 C ATOM 1397 CE1 TYR A 90 -3.993 -7.946 -7.117 1.00 0.00 C ATOM 1398 CE2 TYR A 90 -4.024 -5.750 -8.067 1.00 0.00 C ATOM 1399 CZ TYR A 90 -4.523 -6.674 -7.173 1.00 0.00 C ATOM 1400 OH TYR A 90 -5.555 -6.325 -6.332 1.00 0.00 O ATOM 0 H TYR A 90 -0.373 -6.690 -7.761 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.242 -9.350 -8.810 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.012 -6.890 -10.381 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.658 -8.515 -10.500 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.541 -9.287 -7.914 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.602 -5.378 -9.610 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.386 -8.668 -6.417 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -4.441 -4.754 -8.108 1.00 0.00 H new ATOM 0 HH TYR A 90 -5.812 -5.394 -6.498 1.00 0.00 H new ATOM 1410 N LYS A 91 1.746 -7.035 -10.043 1.00 0.00 N ATOM 1411 CA LYS A 91 2.926 -6.819 -10.872 1.00 0.00 C ATOM 1412 C LYS A 91 3.874 -8.011 -10.789 1.00 0.00 C ATOM 1413 O LYS A 91 4.450 -8.429 -11.794 1.00 0.00 O ATOM 1414 CB LYS A 91 3.653 -5.545 -10.438 1.00 0.00 C ATOM 1415 CG LYS A 91 4.692 -5.067 -11.437 1.00 0.00 C ATOM 1416 CD LYS A 91 5.712 -4.148 -10.786 1.00 0.00 C ATOM 1417 CE LYS A 91 6.607 -3.485 -11.821 1.00 0.00 C ATOM 1418 NZ LYS A 91 7.461 -2.424 -11.219 1.00 0.00 N ATOM 0 H LYS A 91 1.431 -6.208 -9.536 1.00 0.00 H new ATOM 0 HA LYS A 91 2.598 -6.709 -11.906 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.920 -4.754 -10.282 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.139 -5.723 -9.479 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.201 -5.927 -11.872 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.197 -4.542 -12.254 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.196 -3.383 -10.206 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.323 -4.719 -10.087 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.240 -4.238 -12.289 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.991 -3.052 -12.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.542 -1.626 -11.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.031 -2.095 -10.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.407 -2.809 -11.024 1.00 0.00 H new ATOM 1432 N TYR A 92 4.030 -8.555 -9.588 1.00 0.00 N ATOM 1433 CA TYR A 92 4.909 -9.699 -9.374 1.00 0.00 C ATOM 1434 C TYR A 92 4.110 -10.997 -9.321 1.00 0.00 C ATOM 1435 O TYR A 92 4.258 -11.866 -10.179 1.00 0.00 O ATOM 1436 CB TYR A 92 5.704 -9.523 -8.080 1.00 0.00 C ATOM 1437 CG TYR A 92 6.780 -10.567 -7.884 1.00 0.00 C ATOM 1438 CD1 TYR A 92 7.775 -10.755 -8.835 1.00 0.00 C ATOM 1439 CD2 TYR A 92 6.801 -11.367 -6.748 1.00 0.00 C ATOM 1440 CE1 TYR A 92 8.760 -11.708 -8.660 1.00 0.00 C ATOM 1441 CE2 TYR A 92 7.782 -12.321 -6.564 1.00 0.00 C ATOM 1442 CZ TYR A 92 8.759 -12.488 -7.523 1.00 0.00 C ATOM 1443 OH TYR A 92 9.738 -13.439 -7.344 1.00 0.00 O ATOM 0 H TYR A 92 3.559 -8.222 -8.747 1.00 0.00 H new ATOM 0 HA TYR A 92 5.602 -9.754 -10.213 1.00 0.00 H new ATOM 0 HB2 TYR A 92 6.164 -8.535 -8.077 1.00 0.00 H new ATOM 0 HB3 TYR A 92 5.017 -9.558 -7.234 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.779 -10.146 -9.727 1.00 0.00 H new ATOM 0 HD2 TYR A 92 6.036 -11.240 -5.996 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.526 -11.841 -9.409 1.00 0.00 H new ATOM 0 HE2 TYR A 92 7.784 -12.933 -5.674 1.00 0.00 H new ATOM 0 HH TYR A 92 10.620 -13.014 -7.393 1.00 0.00 H new ATOM 1453 N ASN A 93 3.261 -11.121 -8.305 1.00 0.00 N ATOM 1454 CA ASN A 93 2.438 -12.313 -8.138 1.00 0.00 C ATOM 1455 C ASN A 93 1.640 -12.605 -9.406 1.00 0.00 C ATOM 1456 O ASN A 93 1.119 -11.703 -10.062 1.00 0.00 O ATOM 1457 CB ASN A 93 1.487 -12.139 -6.952 1.00 0.00 C ATOM 1458 CG ASN A 93 2.223 -11.851 -5.658 1.00 0.00 C ATOM 1459 OD1 ASN A 93 3.406 -12.164 -5.521 1.00 0.00 O ATOM 1460 ND2 ASN A 93 1.524 -11.253 -4.700 1.00 0.00 N ATOM 0 H ASN A 93 3.125 -10.411 -7.586 1.00 0.00 H new ATOM 0 HA ASN A 93 3.100 -13.157 -7.944 1.00 0.00 H new ATOM 0 HB2 ASN A 93 0.794 -11.324 -7.162 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.889 -13.043 -6.833 1.00 0.00 H new ATOM 0 HD21 ASN A 93 1.966 -11.035 -3.807 1.00 0.00 H new ATOM 0 HD22 ASN A 93 0.546 -11.012 -4.858 1.00 0.00 H new ATOM 1467 N PRO A 94 1.541 -13.895 -9.758 1.00 0.00 N ATOM 1468 CA PRO A 94 0.808 -14.336 -10.948 1.00 0.00 C ATOM 1469 C PRO A 94 -0.700 -14.160 -10.799 1.00 0.00 C ATOM 1470 O PRO A 94 -1.217 -13.932 -9.705 1.00 0.00 O ATOM 1471 CB PRO A 94 1.165 -15.821 -11.055 1.00 0.00 C ATOM 1472 CG PRO A 94 1.508 -16.229 -9.663 1.00 0.00 C ATOM 1473 CD PRO A 94 2.137 -15.023 -9.022 1.00 0.00 C ATOM 0 HA PRO A 94 1.076 -13.754 -11.830 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.329 -16.402 -11.443 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.004 -15.979 -11.732 1.00 0.00 H new ATOM 0 HG2 PRO A 94 0.618 -16.541 -9.117 1.00 0.00 H new ATOM 0 HG3 PRO A 94 2.196 -17.075 -9.662 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.912 -14.971 -7.957 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.223 -15.037 -9.119 1.00 0.00 H new ATOM 1481 N PRO A 95 -1.423 -14.269 -11.923 1.00 0.00 N ATOM 1482 CA PRO A 95 -2.882 -14.126 -11.942 1.00 0.00 C ATOM 1483 C PRO A 95 -3.588 -15.292 -11.258 1.00 0.00 C ATOM 1484 O PRO A 95 -4.817 -15.336 -11.196 1.00 0.00 O ATOM 1485 CB PRO A 95 -3.216 -14.100 -13.435 1.00 0.00 C ATOM 1486 CG PRO A 95 -2.095 -14.833 -14.087 1.00 0.00 C ATOM 1487 CD PRO A 95 -0.873 -14.540 -13.261 1.00 0.00 C ATOM 0 HA PRO A 95 -3.212 -13.238 -11.402 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.173 -14.582 -13.635 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.290 -13.078 -13.806 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.296 -15.904 -14.120 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.959 -14.502 -15.117 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.184 -15.385 -13.249 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -0.321 -13.684 -13.650 1.00 0.00 H new ATOM 1495 N ASP A 96 -2.804 -16.235 -10.747 1.00 0.00 N ATOM 1496 CA ASP A 96 -3.354 -17.401 -10.067 1.00 0.00 C ATOM 1497 C ASP A 96 -3.244 -17.249 -8.553 1.00 0.00 C ATOM 1498 O ASP A 96 -4.185 -17.550 -7.818 1.00 0.00 O ATOM 1499 CB ASP A 96 -2.630 -18.670 -10.518 1.00 0.00 C ATOM 1500 CG ASP A 96 -3.013 -19.086 -11.925 1.00 0.00 C ATOM 1501 OD1 ASP A 96 -2.669 -18.351 -12.874 1.00 0.00 O ATOM 1502 OD2 ASP A 96 -3.656 -20.146 -12.076 1.00 0.00 O ATOM 0 H ASP A 96 -1.785 -16.214 -10.791 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.409 -17.481 -10.331 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -1.553 -18.507 -10.471 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -2.860 -19.481 -9.827 1.00 0.00 H new ATOM 1507 N HIS A 97 -2.088 -16.780 -8.093 1.00 0.00 N ATOM 1508 CA HIS A 97 -1.855 -16.589 -6.666 1.00 0.00 C ATOM 1509 C HIS A 97 -3.120 -16.097 -5.969 1.00 0.00 C ATOM 1510 O HIS A 97 -3.681 -15.066 -6.337 1.00 0.00 O ATOM 1511 CB HIS A 97 -0.716 -15.592 -6.443 1.00 0.00 C ATOM 1512 CG HIS A 97 -0.010 -15.773 -5.135 1.00 0.00 C ATOM 1513 ND1 HIS A 97 -0.643 -16.213 -3.992 1.00 0.00 N ATOM 1514 CD2 HIS A 97 1.284 -15.571 -4.792 1.00 0.00 C ATOM 1515 CE1 HIS A 97 0.230 -16.273 -3.002 1.00 0.00 C ATOM 1516 NE2 HIS A 97 1.408 -15.889 -3.462 1.00 0.00 N ATOM 0 H HIS A 97 -1.299 -16.526 -8.687 1.00 0.00 H new ATOM 0 HA HIS A 97 -1.576 -17.551 -6.237 1.00 0.00 H new ATOM 0 HB2 HIS A 97 0.006 -15.691 -7.253 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -1.115 -14.579 -6.494 1.00 0.00 H new ATOM 0 HD2 HIS A 97 2.072 -15.224 -5.444 1.00 0.00 H new ATOM 0 HE1 HIS A 97 0.017 -16.583 -1.990 1.00 0.00 H new ATOM 0 HE2 HIS A 97 2.269 -15.837 -2.918 1.00 0.00 H new ATOM 1524 N GLU A 98 -3.563 -16.844 -4.962 1.00 0.00 N ATOM 1525 CA GLU A 98 -4.764 -16.484 -4.216 1.00 0.00 C ATOM 1526 C GLU A 98 -4.651 -15.071 -3.652 1.00 0.00 C ATOM 1527 O GLU A 98 -5.571 -14.263 -3.781 1.00 0.00 O ATOM 1528 CB GLU A 98 -5.003 -17.481 -3.080 1.00 0.00 C ATOM 1529 CG GLU A 98 -4.199 -17.179 -1.827 1.00 0.00 C ATOM 1530 CD GLU A 98 -4.512 -18.132 -0.690 1.00 0.00 C ATOM 1531 OE1 GLU A 98 -5.701 -18.468 -0.506 1.00 0.00 O ATOM 1532 OE2 GLU A 98 -3.567 -18.544 0.016 1.00 0.00 O ATOM 0 H GLU A 98 -3.109 -17.701 -4.644 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.610 -16.516 -4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.064 -17.485 -2.829 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.754 -18.483 -3.429 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.136 -17.234 -2.060 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.403 -16.157 -1.506 1.00 0.00 H new ATOM 1539 N VAL A 99 -3.515 -14.779 -3.027 1.00 0.00 N ATOM 1540 CA VAL A 99 -3.279 -13.463 -2.443 1.00 0.00 C ATOM 1541 C VAL A 99 -3.745 -12.355 -3.380 1.00 0.00 C ATOM 1542 O VAL A 99 -4.218 -11.309 -2.936 1.00 0.00 O ATOM 1543 CB VAL A 99 -1.789 -13.252 -2.117 1.00 0.00 C ATOM 1544 CG1 VAL A 99 -1.033 -12.787 -3.352 1.00 0.00 C ATOM 1545 CG2 VAL A 99 -1.629 -12.257 -0.978 1.00 0.00 C ATOM 0 H VAL A 99 -2.743 -15.436 -2.912 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.855 -13.419 -1.518 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.366 -14.205 -1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.018 -12.643 -3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.120 -13.539 -4.136 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.455 -11.845 -3.704 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.570 -12.120 -0.761 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.067 -11.301 -1.266 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.135 -12.636 -0.090 1.00 0.00 H new ATOM 1555 N VAL A 100 -3.610 -12.592 -4.681 1.00 0.00 N ATOM 1556 CA VAL A 100 -4.018 -11.614 -5.683 1.00 0.00 C ATOM 1557 C VAL A 100 -5.497 -11.271 -5.545 1.00 0.00 C ATOM 1558 O VAL A 100 -5.889 -10.110 -5.657 1.00 0.00 O ATOM 1559 CB VAL A 100 -3.753 -12.128 -7.110 1.00 0.00 C ATOM 1560 CG1 VAL A 100 -4.281 -11.142 -8.140 1.00 0.00 C ATOM 1561 CG2 VAL A 100 -2.268 -12.384 -7.317 1.00 0.00 C ATOM 0 H VAL A 100 -3.221 -13.453 -5.066 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.422 -10.718 -5.511 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.283 -13.072 -7.241 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.084 -11.523 -9.142 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -5.355 -11.014 -8.004 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.783 -10.181 -8.013 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.099 -12.747 -8.331 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.715 -11.457 -7.166 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.925 -13.132 -6.602 1.00 0.00 H new ATOM 1571 N ALA A 101 -6.315 -12.289 -5.299 1.00 0.00 N ATOM 1572 CA ALA A 101 -7.751 -12.095 -5.143 1.00 0.00 C ATOM 1573 C ALA A 101 -8.065 -11.322 -3.866 1.00 0.00 C ATOM 1574 O ALA A 101 -9.006 -10.530 -3.825 1.00 0.00 O ATOM 1575 CB ALA A 101 -8.467 -13.438 -5.139 1.00 0.00 C ATOM 0 H ALA A 101 -6.007 -13.257 -5.203 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.108 -11.508 -5.989 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.539 -13.279 -5.022 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.278 -13.954 -6.080 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.098 -14.045 -4.312 1.00 0.00 H new ATOM 1581 N MET A 102 -7.271 -11.559 -2.827 1.00 0.00 N ATOM 1582 CA MET A 102 -7.465 -10.883 -1.549 1.00 0.00 C ATOM 1583 C MET A 102 -7.129 -9.399 -1.662 1.00 0.00 C ATOM 1584 O MET A 102 -7.783 -8.557 -1.047 1.00 0.00 O ATOM 1585 CB MET A 102 -6.599 -11.533 -0.468 1.00 0.00 C ATOM 1586 CG MET A 102 -7.019 -12.953 -0.125 1.00 0.00 C ATOM 1587 SD MET A 102 -6.659 -13.390 1.587 1.00 0.00 S ATOM 1588 CE MET A 102 -4.933 -12.924 1.699 1.00 0.00 C ATOM 0 H MET A 102 -6.488 -12.213 -2.845 1.00 0.00 H new ATOM 0 HA MET A 102 -8.514 -10.979 -1.271 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.561 -11.540 -0.801 1.00 0.00 H new ATOM 0 HB3 MET A 102 -6.640 -10.923 0.434 1.00 0.00 H new ATOM 0 HG2 MET A 102 -8.088 -13.066 -0.308 1.00 0.00 H new ATOM 0 HG3 MET A 102 -6.507 -13.650 -0.789 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.342 -13.787 2.005 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.587 -12.574 0.726 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.818 -12.127 2.433 1.00 0.00 H new ATOM 1598 N ALA A 103 -6.106 -9.087 -2.450 1.00 0.00 N ATOM 1599 CA ALA A 103 -5.685 -7.705 -2.644 1.00 0.00 C ATOM 1600 C ALA A 103 -6.842 -6.843 -3.139 1.00 0.00 C ATOM 1601 O ALA A 103 -7.080 -5.752 -2.622 1.00 0.00 O ATOM 1602 CB ALA A 103 -4.521 -7.640 -3.622 1.00 0.00 C ATOM 0 H ALA A 103 -5.553 -9.773 -2.965 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.359 -7.312 -1.681 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.217 -6.602 -3.757 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.683 -8.215 -3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -4.828 -8.056 -4.581 1.00 0.00 H new ATOM 1608 N ARG A 104 -7.557 -7.341 -4.142 1.00 0.00 N ATOM 1609 CA ARG A 104 -8.688 -6.615 -4.707 1.00 0.00 C ATOM 1610 C ARG A 104 -9.713 -6.278 -3.628 1.00 0.00 C ATOM 1611 O ARG A 104 -10.077 -5.116 -3.443 1.00 0.00 O ATOM 1612 CB ARG A 104 -9.350 -7.439 -5.814 1.00 0.00 C ATOM 1613 CG ARG A 104 -8.401 -7.820 -6.939 1.00 0.00 C ATOM 1614 CD ARG A 104 -9.086 -8.704 -7.969 1.00 0.00 C ATOM 1615 NE ARG A 104 -9.705 -9.878 -7.359 1.00 0.00 N ATOM 1616 CZ ARG A 104 -10.934 -9.882 -6.854 1.00 0.00 C ATOM 1617 NH1 ARG A 104 -11.672 -8.780 -6.887 1.00 0.00 N ATOM 1618 NH2 ARG A 104 -11.428 -10.989 -6.315 1.00 0.00 N ATOM 0 H ARG A 104 -7.373 -8.244 -4.580 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.313 -5.684 -5.131 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.768 -8.347 -5.379 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.183 -6.872 -6.229 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -8.028 -6.918 -7.423 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.537 -8.342 -6.527 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -9.846 -8.126 -8.495 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -8.357 -9.024 -8.714 1.00 0.00 H new ATOM 0 HE ARG A 104 -9.164 -10.742 -7.318 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -11.296 -7.927 -7.301 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -12.615 -8.786 -6.499 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -10.864 -11.839 -6.288 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -12.372 -10.991 -5.928 1.00 0.00 H new ATOM 1632 N LYS A 105 -10.174 -7.302 -2.918 1.00 0.00 N ATOM 1633 CA LYS A 105 -11.156 -7.116 -1.856 1.00 0.00 C ATOM 1634 C LYS A 105 -10.919 -5.801 -1.119 1.00 0.00 C ATOM 1635 O LYS A 105 -11.806 -4.950 -1.046 1.00 0.00 O ATOM 1636 CB LYS A 105 -11.098 -8.284 -0.869 1.00 0.00 C ATOM 1637 CG LYS A 105 -12.021 -9.434 -1.232 1.00 0.00 C ATOM 1638 CD LYS A 105 -11.783 -10.642 -0.342 1.00 0.00 C ATOM 1639 CE LYS A 105 -12.830 -11.721 -0.575 1.00 0.00 C ATOM 1640 NZ LYS A 105 -14.191 -11.266 -0.179 1.00 0.00 N ATOM 0 H LYS A 105 -9.883 -8.270 -3.059 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.145 -7.083 -2.312 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.074 -8.654 -0.817 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.357 -7.921 0.126 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.058 -9.112 -1.140 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.865 -9.712 -2.274 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -10.791 -11.049 -0.536 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -11.802 -10.334 0.704 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.833 -12.003 -1.628 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -12.565 -12.613 -0.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.816 -12.091 -0.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -14.137 -10.757 0.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -14.572 -10.632 -0.910 1.00 0.00 H new ATOM 1654 N LEU A 106 -9.717 -5.642 -0.576 1.00 0.00 N ATOM 1655 CA LEU A 106 -9.362 -4.430 0.155 1.00 0.00 C ATOM 1656 C LEU A 106 -9.391 -3.213 -0.764 1.00 0.00 C ATOM 1657 O LEU A 106 -9.991 -2.190 -0.436 1.00 0.00 O ATOM 1658 CB LEU A 106 -7.975 -4.577 0.783 1.00 0.00 C ATOM 1659 CG LEU A 106 -7.515 -3.421 1.671 1.00 0.00 C ATOM 1660 CD1 LEU A 106 -8.153 -3.520 3.048 1.00 0.00 C ATOM 1661 CD2 LEU A 106 -5.998 -3.407 1.785 1.00 0.00 C ATOM 0 H LEU A 106 -8.972 -6.337 -0.628 1.00 0.00 H new ATOM 0 HA LEU A 106 -10.098 -4.283 0.946 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.962 -5.492 1.376 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.247 -4.705 -0.018 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.834 -2.486 1.211 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.814 -2.689 3.667 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.238 -3.481 2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.865 -4.461 3.516 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.689 -2.577 2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.657 -4.346 2.222 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.560 -3.288 0.794 1.00 0.00 H new ATOM 1673 N GLN A 107 -8.740 -3.333 -1.917 1.00 0.00 N ATOM 1674 CA GLN A 107 -8.692 -2.242 -2.884 1.00 0.00 C ATOM 1675 C GLN A 107 -10.064 -1.594 -3.041 1.00 0.00 C ATOM 1676 O GLN A 107 -10.182 -0.369 -3.077 1.00 0.00 O ATOM 1677 CB GLN A 107 -8.198 -2.754 -4.238 1.00 0.00 C ATOM 1678 CG GLN A 107 -8.164 -1.684 -5.317 1.00 0.00 C ATOM 1679 CD GLN A 107 -7.108 -0.627 -5.057 1.00 0.00 C ATOM 1680 OE1 GLN A 107 -5.949 -0.784 -5.441 1.00 0.00 O ATOM 1681 NE2 GLN A 107 -7.505 0.458 -4.403 1.00 0.00 N ATOM 0 H GLN A 107 -8.239 -4.174 -2.204 1.00 0.00 H new ATOM 0 HA GLN A 107 -7.996 -1.490 -2.512 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -7.197 -3.168 -4.117 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.843 -3.569 -4.566 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -7.974 -2.153 -6.282 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.142 -1.207 -5.382 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -8.476 0.546 -4.103 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -6.839 1.204 -4.200 1.00 0.00 H new ATOM 1690 N ASP A 108 -11.097 -2.424 -3.135 1.00 0.00 N ATOM 1691 CA ASP A 108 -12.461 -1.931 -3.288 1.00 0.00 C ATOM 1692 C ASP A 108 -12.838 -1.007 -2.134 1.00 0.00 C ATOM 1693 O ASP A 108 -13.461 0.035 -2.338 1.00 0.00 O ATOM 1694 CB ASP A 108 -13.443 -3.102 -3.362 1.00 0.00 C ATOM 1695 CG ASP A 108 -14.733 -2.732 -4.068 1.00 0.00 C ATOM 1696 OD1 ASP A 108 -14.668 -1.992 -5.072 1.00 0.00 O ATOM 1697 OD2 ASP A 108 -15.807 -3.181 -3.616 1.00 0.00 O ATOM 0 H ASP A 108 -11.016 -3.440 -3.108 1.00 0.00 H new ATOM 0 HA ASP A 108 -12.514 -1.363 -4.217 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -12.972 -3.935 -3.884 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -13.670 -3.446 -2.353 1.00 0.00 H new ATOM 1702 N VAL A 109 -12.457 -1.397 -0.922 1.00 0.00 N ATOM 1703 CA VAL A 109 -12.755 -0.603 0.265 1.00 0.00 C ATOM 1704 C VAL A 109 -12.015 0.730 0.234 1.00 0.00 C ATOM 1705 O VAL A 109 -12.570 1.768 0.595 1.00 0.00 O ATOM 1706 CB VAL A 109 -12.377 -1.358 1.553 1.00 0.00 C ATOM 1707 CG1 VAL A 109 -12.694 -0.514 2.778 1.00 0.00 C ATOM 1708 CG2 VAL A 109 -13.098 -2.696 1.617 1.00 0.00 C ATOM 0 H VAL A 109 -11.942 -2.257 -0.736 1.00 0.00 H new ATOM 0 HA VAL A 109 -13.829 -0.419 0.262 1.00 0.00 H new ATOM 0 HB VAL A 109 -11.304 -1.549 1.540 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -12.420 -1.063 3.679 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -12.129 0.417 2.735 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -13.761 -0.290 2.799 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -12.819 -3.216 2.533 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -14.175 -2.530 1.607 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -12.817 -3.302 0.756 1.00 0.00 H new ATOM 1718 N PHE A 110 -10.760 0.694 -0.199 1.00 0.00 N ATOM 1719 CA PHE A 110 -9.943 1.900 -0.277 1.00 0.00 C ATOM 1720 C PHE A 110 -10.462 2.839 -1.361 1.00 0.00 C ATOM 1721 O PHE A 110 -10.413 4.060 -1.214 1.00 0.00 O ATOM 1722 CB PHE A 110 -8.484 1.535 -0.557 1.00 0.00 C ATOM 1723 CG PHE A 110 -7.670 2.683 -1.084 1.00 0.00 C ATOM 1724 CD1 PHE A 110 -7.673 2.989 -2.435 1.00 0.00 C ATOM 1725 CD2 PHE A 110 -6.901 3.455 -0.228 1.00 0.00 C ATOM 1726 CE1 PHE A 110 -6.926 4.045 -2.923 1.00 0.00 C ATOM 1727 CE2 PHE A 110 -6.153 4.512 -0.709 1.00 0.00 C ATOM 1728 CZ PHE A 110 -6.164 4.806 -2.059 1.00 0.00 C ATOM 0 H PHE A 110 -10.286 -0.157 -0.501 1.00 0.00 H new ATOM 0 HA PHE A 110 -10.004 2.413 0.683 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -8.027 1.167 0.362 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -8.454 0.718 -1.277 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -8.266 2.396 -3.115 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -6.886 3.228 0.828 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -6.938 4.274 -3.978 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -5.560 5.108 -0.031 1.00 0.00 H new ATOM 0 HZ PHE A 110 -5.577 5.630 -2.438 1.00 0.00 H new ATOM 1738 N GLU A 111 -10.958 2.260 -2.450 1.00 0.00 N ATOM 1739 CA GLU A 111 -11.485 3.046 -3.559 1.00 0.00 C ATOM 1740 C GLU A 111 -12.734 3.815 -3.137 1.00 0.00 C ATOM 1741 O GLU A 111 -12.757 5.045 -3.163 1.00 0.00 O ATOM 1742 CB GLU A 111 -11.809 2.138 -4.748 1.00 0.00 C ATOM 1743 CG GLU A 111 -10.601 1.809 -5.609 1.00 0.00 C ATOM 1744 CD GLU A 111 -10.979 1.466 -7.037 1.00 0.00 C ATOM 1745 OE1 GLU A 111 -11.682 0.454 -7.239 1.00 0.00 O ATOM 1746 OE2 GLU A 111 -10.571 2.211 -7.953 1.00 0.00 O ATOM 0 H GLU A 111 -11.006 1.250 -2.588 1.00 0.00 H new ATOM 0 HA GLU A 111 -10.721 3.764 -3.857 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.244 1.210 -4.378 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -12.566 2.620 -5.367 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.919 2.659 -5.612 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -10.063 0.970 -5.168 1.00 0.00 H new ATOM 1753 N MET A 112 -13.771 3.079 -2.750 1.00 0.00 N ATOM 1754 CA MET A 112 -15.024 3.691 -2.322 1.00 0.00 C ATOM 1755 C MET A 112 -14.769 4.792 -1.297 1.00 0.00 C ATOM 1756 O MET A 112 -15.299 5.897 -1.414 1.00 0.00 O ATOM 1757 CB MET A 112 -15.957 2.633 -1.730 1.00 0.00 C ATOM 1758 CG MET A 112 -15.345 1.863 -0.571 1.00 0.00 C ATOM 1759 SD MET A 112 -16.382 0.494 -0.022 1.00 0.00 S ATOM 1760 CE MET A 112 -17.863 1.370 0.477 1.00 0.00 C ATOM 0 H MET A 112 -13.769 2.059 -2.724 1.00 0.00 H new ATOM 0 HA MET A 112 -15.499 4.136 -3.196 1.00 0.00 H new ATOM 0 HB2 MET A 112 -16.873 3.117 -1.391 1.00 0.00 H new ATOM 0 HB3 MET A 112 -16.239 1.930 -2.514 1.00 0.00 H new ATOM 0 HG2 MET A 112 -14.370 1.478 -0.870 1.00 0.00 H new ATOM 0 HG3 MET A 112 -15.177 2.544 0.264 1.00 0.00 H new ATOM 0 HE1 MET A 112 -18.157 1.048 1.476 1.00 0.00 H new ATOM 0 HE2 MET A 112 -17.667 2.442 0.484 1.00 0.00 H new ATOM 0 HE3 MET A 112 -18.668 1.153 -0.225 1.00 0.00 H new ATOM 1770 N ARG A 113 -13.955 4.482 -0.293 1.00 0.00 N ATOM 1771 CA ARG A 113 -13.632 5.445 0.753 1.00 0.00 C ATOM 1772 C ARG A 113 -13.137 6.757 0.151 1.00 0.00 C ATOM 1773 O ARG A 113 -13.730 7.814 0.368 1.00 0.00 O ATOM 1774 CB ARG A 113 -12.570 4.871 1.694 1.00 0.00 C ATOM 1775 CG ARG A 113 -13.109 3.822 2.653 1.00 0.00 C ATOM 1776 CD ARG A 113 -14.097 4.425 3.639 1.00 0.00 C ATOM 1777 NE ARG A 113 -15.468 4.375 3.140 1.00 0.00 N ATOM 1778 CZ ARG A 113 -16.234 3.291 3.202 1.00 0.00 C ATOM 1779 NH1 ARG A 113 -15.764 2.174 3.740 1.00 0.00 N ATOM 1780 NH2 ARG A 113 -17.472 3.324 2.726 1.00 0.00 N ATOM 0 H ARG A 113 -13.507 3.572 -0.182 1.00 0.00 H new ATOM 0 HA ARG A 113 -14.541 5.646 1.320 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -11.770 4.430 1.099 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -12.129 5.685 2.270 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -13.596 3.027 2.088 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -12.282 3.366 3.197 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -14.036 3.889 4.586 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -13.822 5.460 3.840 1.00 0.00 H new ATOM 0 HE ARG A 113 -15.859 5.218 2.721 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -14.813 2.146 4.107 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -16.354 1.343 3.787 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -17.837 4.182 2.312 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -18.059 2.491 2.774 1.00 0.00 H new ATOM 1794 N PHE A 114 -12.048 6.681 -0.606 1.00 0.00 N ATOM 1795 CA PHE A 114 -11.473 7.862 -1.239 1.00 0.00 C ATOM 1796 C PHE A 114 -12.555 8.698 -1.915 1.00 0.00 C ATOM 1797 O PHE A 114 -12.548 9.926 -1.832 1.00 0.00 O ATOM 1798 CB PHE A 114 -10.414 7.453 -2.265 1.00 0.00 C ATOM 1799 CG PHE A 114 -9.434 8.546 -2.583 1.00 0.00 C ATOM 1800 CD1 PHE A 114 -8.750 9.198 -1.570 1.00 0.00 C ATOM 1801 CD2 PHE A 114 -9.197 8.921 -3.896 1.00 0.00 C ATOM 1802 CE1 PHE A 114 -7.847 10.204 -1.859 1.00 0.00 C ATOM 1803 CE2 PHE A 114 -8.295 9.925 -4.191 1.00 0.00 C ATOM 1804 CZ PHE A 114 -7.620 10.569 -3.172 1.00 0.00 C ATOM 0 H PHE A 114 -11.546 5.814 -0.796 1.00 0.00 H new ATOM 0 HA PHE A 114 -11.003 8.466 -0.463 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -9.870 6.587 -1.888 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -10.911 7.143 -3.184 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -8.924 8.917 -0.542 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -9.723 8.423 -4.697 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -7.320 10.704 -1.060 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -8.117 10.207 -5.218 1.00 0.00 H new ATOM 0 HZ PHE A 114 -6.917 11.356 -3.401 1.00 0.00 H new ATOM 1814 N ALA A 115 -13.484 8.024 -2.584 1.00 0.00 N ATOM 1815 CA ALA A 115 -14.574 8.703 -3.273 1.00 0.00 C ATOM 1816 C ALA A 115 -15.494 9.410 -2.283 1.00 0.00 C ATOM 1817 O ALA A 115 -15.795 10.594 -2.435 1.00 0.00 O ATOM 1818 CB ALA A 115 -15.364 7.713 -4.116 1.00 0.00 C ATOM 0 H ALA A 115 -13.504 7.007 -2.664 1.00 0.00 H new ATOM 0 HA ALA A 115 -14.141 9.458 -3.929 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -16.175 8.234 -4.625 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -14.705 7.258 -4.855 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -15.779 6.937 -3.473 1.00 0.00 H new ATOM 1824 N LYS A 116 -15.938 8.677 -1.268 1.00 0.00 N ATOM 1825 CA LYS A 116 -16.823 9.233 -0.251 1.00 0.00 C ATOM 1826 C LYS A 116 -16.349 10.615 0.186 1.00 0.00 C ATOM 1827 O LYS A 116 -17.151 11.534 0.349 1.00 0.00 O ATOM 1828 CB LYS A 116 -16.894 8.299 0.959 1.00 0.00 C ATOM 1829 CG LYS A 116 -17.497 6.941 0.645 1.00 0.00 C ATOM 1830 CD LYS A 116 -19.004 6.941 0.840 1.00 0.00 C ATOM 1831 CE LYS A 116 -19.659 5.767 0.130 1.00 0.00 C ATOM 1832 NZ LYS A 116 -19.692 5.960 -1.346 1.00 0.00 N ATOM 0 H LYS A 116 -15.699 7.695 -1.127 1.00 0.00 H new ATOM 0 HA LYS A 116 -17.818 9.331 -0.685 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -15.889 8.158 1.358 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -17.483 8.777 1.742 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -17.262 6.667 -0.384 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -17.046 6.184 1.287 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -19.234 6.898 1.905 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -19.421 7.874 0.462 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -19.116 4.852 0.365 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -20.675 5.639 0.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -20.318 5.249 -1.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -20.049 6.912 -1.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -18.732 5.854 -1.732 1.00 0.00 H new ATOM 1846 N MET A 117 -15.041 10.754 0.374 1.00 0.00 N ATOM 1847 CA MET A 117 -14.460 12.026 0.791 1.00 0.00 C ATOM 1848 C MET A 117 -14.604 13.074 -0.308 1.00 0.00 C ATOM 1849 O MET A 117 -14.623 14.275 -0.035 1.00 0.00 O ATOM 1850 CB MET A 117 -12.984 11.844 1.148 1.00 0.00 C ATOM 1851 CG MET A 117 -12.338 13.096 1.718 1.00 0.00 C ATOM 1852 SD MET A 117 -11.594 14.135 0.446 1.00 0.00 S ATOM 1853 CE MET A 117 -10.111 13.203 0.072 1.00 0.00 C ATOM 0 H MET A 117 -14.363 10.003 0.245 1.00 0.00 H new ATOM 0 HA MET A 117 -14.999 12.372 1.673 1.00 0.00 H new ATOM 0 HB2 MET A 117 -12.891 11.035 1.873 1.00 0.00 H new ATOM 0 HB3 MET A 117 -12.438 11.537 0.256 1.00 0.00 H new ATOM 0 HG2 MET A 117 -13.088 13.673 2.260 1.00 0.00 H new ATOM 0 HG3 MET A 117 -11.574 12.809 2.440 1.00 0.00 H new ATOM 0 HE1 MET A 117 -9.449 13.806 -0.550 1.00 0.00 H new ATOM 0 HE2 MET A 117 -9.601 12.944 1.000 1.00 0.00 H new ATOM 0 HE3 MET A 117 -10.379 12.291 -0.462 1.00 0.00 H new