USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=30 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 89 CYS SG : rot -98:sc= 0.724 USER MOD Set 1.2: A 93 ASN : amide:sc= -0.0049 X(o=0.72,f=0.45) USER MOD Set 2.1: A 28 LYS NZ :NH3+ 153:sc= -0.0354 (180deg=-0.917) USER MOD Set 2.2: A 29 HIS : no HE2:sc= -1.55! C(o=-0.39!,f=-5.8!) USER MOD Set 2.3: A 32 TYR OH : rot -110:sc= 1.2 USER MOD Set 3.1: A 17 CYS SG : rot -52:sc= -4.23! USER MOD Set 3.2: A 67 MET CE :methyl 152:sc= -4.57! (180deg=-2.08!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS :FLIP no HE2:sc= -0.606 F(o=-2,f=-0.61) USER MOD Single : A 16 TYR OH : rot 0:sc= -1.39 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl 154:sc= -2.45! (180deg=-4.47!) USER MOD Single : A 26 SER OG : rot 76:sc= 0.0187 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -16:sc= 0.643 USER MOD Single : A 38 LYS NZ :NH3+ -121:sc= -1.71! (180deg=-3.77!) USER MOD Single : A 50 TYR OH : rot 110:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -159:sc= -0.0571 (180deg=-0.381) USER MOD Single : A 56 HIS : no HD1:sc= -2.45! C(o=-2.4!,f=-3.5!) USER MOD Single : A 58 MET CE :methyl 154:sc= -0.244 (180deg=-1.39) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 158:sc= 0.693 (180deg=0.402) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 30:sc= -2! USER MOD Single : A 76 GLN : amide:sc= -0.0202 X(o=-0.02,f=-0.02) USER MOD Single : A 85 MET CE :methyl 163:sc= -0.0703 (180deg=-0.427) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -4.18! C(o=-4.2!,f=-11!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.446 K(o=-0.45,f=-1.7) USER MOD Single : A 102 MET CE :methyl -127:sc= -8.45! (180deg=-16.3!) USER MOD Single : A 105 LYS NZ :NH3+ -135:sc= 1.26 (180deg=-0.653) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 112 MET CE :methyl -160:sc= -0.179 (180deg=-0.757) USER MOD Single : A 116 LYS NZ :NH3+ -151:sc= -0.153 (180deg=-0.662) USER MOD Single : A 117 MET CE :methyl -128:sc= -0.237 (180deg=-0.477) USER MOD ----------------------------------------------------------------- ATOM 114 N SER A 11 -4.164 17.822 6.735 1.00 0.00 N ATOM 115 CA SER A 11 -4.889 18.451 5.637 1.00 0.00 C ATOM 116 C SER A 11 -6.377 18.123 5.710 1.00 0.00 C ATOM 117 O SER A 11 -6.764 17.054 6.181 1.00 0.00 O ATOM 118 CB SER A 11 -4.319 17.994 4.293 1.00 0.00 C ATOM 119 OG SER A 11 -4.811 18.794 3.232 1.00 0.00 O ATOM 0 HA SER A 11 -4.768 19.531 5.726 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.231 18.048 4.319 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.582 16.951 4.118 1.00 0.00 H new ATOM 0 HG SER A 11 -4.431 18.483 2.384 1.00 0.00 H new ATOM 125 N GLU A 12 -7.205 19.050 5.240 1.00 0.00 N ATOM 126 CA GLU A 12 -8.651 18.860 5.253 1.00 0.00 C ATOM 127 C GLU A 12 -9.024 17.495 4.681 1.00 0.00 C ATOM 128 O GLU A 12 -10.042 16.910 5.055 1.00 0.00 O ATOM 129 CB GLU A 12 -9.340 19.966 4.452 1.00 0.00 C ATOM 130 CG GLU A 12 -10.842 20.033 4.674 1.00 0.00 C ATOM 131 CD GLU A 12 -11.430 21.375 4.286 1.00 0.00 C ATOM 132 OE1 GLU A 12 -11.262 21.782 3.117 1.00 0.00 O ATOM 133 OE2 GLU A 12 -12.058 22.020 5.152 1.00 0.00 O ATOM 0 H GLU A 12 -6.900 19.940 4.846 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.989 18.907 6.288 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.898 20.926 4.720 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.145 19.810 3.391 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -11.326 19.247 4.094 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -11.059 19.835 5.724 1.00 0.00 H new ATOM 140 N HIS A 13 -8.195 16.993 3.772 1.00 0.00 N ATOM 141 CA HIS A 13 -8.437 15.697 3.149 1.00 0.00 C ATOM 142 C HIS A 13 -7.735 14.583 3.919 1.00 0.00 C ATOM 143 O HIS A 13 -8.358 13.593 4.305 1.00 0.00 O ATOM 144 CB HIS A 13 -7.958 15.709 1.697 1.00 0.00 C ATOM 145 CG HIS A 13 -8.951 16.298 0.743 1.00 0.00 C ATOM 146 ND1 HIS A 13 -10.304 16.310 0.770 1.00 0.00 N flip ATOM 147 CD2 HIS A 13 -8.586 16.971 -0.404 1.00 0.00 C flip ATOM 148 CE1 HIS A 13 -10.727 16.985 -0.349 1.00 0.00 C flip ATOM 149 NE2 HIS A 13 -9.671 17.374 -1.040 1.00 0.00 N flip ATOM 0 H HIS A 13 -7.349 17.464 3.450 1.00 0.00 H new ATOM 0 HA HIS A 13 -9.510 15.507 3.169 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -7.028 16.274 1.635 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -7.732 14.688 1.389 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -10.899 15.895 1.487 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -7.571 17.142 -0.731 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -11.756 17.168 -0.620 1.00 0.00 H new ATOM 157 N LEU A 14 -6.436 14.751 4.140 1.00 0.00 N ATOM 158 CA LEU A 14 -5.648 13.760 4.865 1.00 0.00 C ATOM 159 C LEU A 14 -6.376 13.301 6.125 1.00 0.00 C ATOM 160 O LEU A 14 -6.519 12.104 6.370 1.00 0.00 O ATOM 161 CB LEU A 14 -4.280 14.336 5.233 1.00 0.00 C ATOM 162 CG LEU A 14 -3.296 14.519 4.077 1.00 0.00 C ATOM 163 CD1 LEU A 14 -2.169 15.457 4.479 1.00 0.00 C ATOM 164 CD2 LEU A 14 -2.740 13.174 3.632 1.00 0.00 C ATOM 0 H LEU A 14 -5.906 15.564 3.828 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.508 12.897 4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.432 15.304 5.711 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.821 13.683 5.975 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.830 14.965 3.238 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.479 15.575 3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.583 16.429 4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.636 15.040 5.334 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.042 13.323 2.809 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.222 12.701 4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.558 12.533 3.302 1.00 0.00 H new ATOM 176 N ARG A 15 -6.835 14.263 6.919 1.00 0.00 N ATOM 177 CA ARG A 15 -7.548 13.958 8.154 1.00 0.00 C ATOM 178 C ARG A 15 -8.456 12.745 7.971 1.00 0.00 C ATOM 179 O ARG A 15 -8.572 11.904 8.863 1.00 0.00 O ATOM 180 CB ARG A 15 -8.375 15.165 8.601 1.00 0.00 C ATOM 181 CG ARG A 15 -9.727 15.266 7.912 1.00 0.00 C ATOM 182 CD ARG A 15 -10.453 16.546 8.296 1.00 0.00 C ATOM 183 NE ARG A 15 -10.871 16.539 9.696 1.00 0.00 N ATOM 184 CZ ARG A 15 -11.764 17.383 10.200 1.00 0.00 C ATOM 185 NH1 ARG A 15 -12.332 18.295 9.423 1.00 0.00 N ATOM 186 NH2 ARG A 15 -12.092 17.314 11.484 1.00 0.00 N ATOM 0 H ARG A 15 -6.726 15.259 6.729 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.811 13.726 8.923 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.529 15.110 9.679 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.808 16.075 8.406 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.589 15.235 6.831 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.339 14.405 8.180 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.801 17.401 8.117 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.327 16.673 7.657 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.454 15.848 10.320 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.083 18.350 8.435 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.018 18.942 9.813 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.658 16.613 12.084 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.778 17.962 11.871 1.00 0.00 H new ATOM 200 N TYR A 16 -9.099 12.663 6.812 1.00 0.00 N ATOM 201 CA TYR A 16 -9.999 11.555 6.514 1.00 0.00 C ATOM 202 C TYR A 16 -9.214 10.302 6.136 1.00 0.00 C ATOM 203 O TYR A 16 -9.468 9.216 6.658 1.00 0.00 O ATOM 204 CB TYR A 16 -10.951 11.935 5.379 1.00 0.00 C ATOM 205 CG TYR A 16 -11.870 10.811 4.957 1.00 0.00 C ATOM 206 CD1 TYR A 16 -11.491 9.911 3.968 1.00 0.00 C ATOM 207 CD2 TYR A 16 -13.117 10.648 5.548 1.00 0.00 C ATOM 208 CE1 TYR A 16 -12.327 8.883 3.579 1.00 0.00 C ATOM 209 CE2 TYR A 16 -13.959 9.621 5.166 1.00 0.00 C ATOM 210 CZ TYR A 16 -13.560 8.742 4.181 1.00 0.00 C ATOM 211 OH TYR A 16 -14.396 7.718 3.797 1.00 0.00 O ATOM 0 H TYR A 16 -9.014 13.350 6.063 1.00 0.00 H new ATOM 0 HA TYR A 16 -10.580 11.341 7.411 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -11.554 12.788 5.692 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -10.366 12.257 4.518 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.526 10.018 3.495 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -13.433 11.335 6.319 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -12.017 8.193 2.808 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -14.925 9.507 5.636 1.00 0.00 H new ATOM 0 HH TYR A 16 -13.965 7.190 3.093 1.00 0.00 H new ATOM 221 N CYS A 17 -8.260 10.462 5.225 1.00 0.00 N ATOM 222 CA CYS A 17 -7.437 9.345 4.776 1.00 0.00 C ATOM 223 C CYS A 17 -6.829 8.605 5.964 1.00 0.00 C ATOM 224 O CYS A 17 -6.602 7.396 5.904 1.00 0.00 O ATOM 225 CB CYS A 17 -6.328 9.842 3.848 1.00 0.00 C ATOM 226 SG CYS A 17 -4.825 10.366 4.708 1.00 0.00 S ATOM 0 H CYS A 17 -8.038 11.354 4.783 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.076 8.653 4.228 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.074 9.048 3.146 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.708 10.678 3.261 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.134 11.215 5.643 1.00 0.00 H new ATOM 232 N ASP A 18 -6.567 9.339 7.040 1.00 0.00 N ATOM 233 CA ASP A 18 -5.985 8.752 8.241 1.00 0.00 C ATOM 234 C ASP A 18 -6.797 7.547 8.706 1.00 0.00 C ATOM 235 O ASP A 18 -6.257 6.615 9.302 1.00 0.00 O ATOM 236 CB ASP A 18 -5.912 9.794 9.359 1.00 0.00 C ATOM 237 CG ASP A 18 -5.855 9.163 10.736 1.00 0.00 C ATOM 238 OD1 ASP A 18 -4.903 8.399 11.000 1.00 0.00 O ATOM 239 OD2 ASP A 18 -6.762 9.435 11.550 1.00 0.00 O ATOM 0 H ASP A 18 -6.748 10.341 7.105 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.976 8.417 7.999 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -5.031 10.419 9.212 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.781 10.449 9.298 1.00 0.00 H new ATOM 244 N SER A 19 -8.096 7.573 8.429 1.00 0.00 N ATOM 245 CA SER A 19 -8.983 6.484 8.823 1.00 0.00 C ATOM 246 C SER A 19 -8.955 5.360 7.791 1.00 0.00 C ATOM 247 O SER A 19 -8.990 4.181 8.142 1.00 0.00 O ATOM 248 CB SER A 19 -10.414 7.000 8.993 1.00 0.00 C ATOM 249 OG SER A 19 -10.431 8.240 9.678 1.00 0.00 O ATOM 0 H SER A 19 -8.558 8.335 7.934 1.00 0.00 H new ATOM 0 HA SER A 19 -8.631 6.088 9.776 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.881 7.115 8.015 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.005 6.268 9.544 1.00 0.00 H new ATOM 0 HG SER A 19 -11.356 8.549 9.772 1.00 0.00 H new ATOM 255 N ILE A 20 -8.892 5.736 6.518 1.00 0.00 N ATOM 256 CA ILE A 20 -8.858 4.761 5.436 1.00 0.00 C ATOM 257 C ILE A 20 -7.749 3.736 5.653 1.00 0.00 C ATOM 258 O ILE A 20 -7.813 2.618 5.141 1.00 0.00 O ATOM 259 CB ILE A 20 -8.651 5.442 4.070 1.00 0.00 C ATOM 260 CG1 ILE A 20 -9.665 6.572 3.881 1.00 0.00 C ATOM 261 CG2 ILE A 20 -8.769 4.423 2.946 1.00 0.00 C ATOM 262 CD1 ILE A 20 -9.577 7.243 2.528 1.00 0.00 C ATOM 0 H ILE A 20 -8.864 6.708 6.211 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.823 4.255 5.438 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.649 5.870 4.042 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -10.670 6.173 4.015 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.513 7.320 4.659 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.620 4.920 1.987 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.012 3.650 3.075 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.760 3.969 2.969 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -10.325 8.034 2.465 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.583 7.672 2.399 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -9.759 6.507 1.745 1.00 0.00 H new ATOM 274 N LEU A 21 -6.735 4.124 6.418 1.00 0.00 N ATOM 275 CA LEU A 21 -5.612 3.239 6.706 1.00 0.00 C ATOM 276 C LEU A 21 -5.893 2.386 7.938 1.00 0.00 C ATOM 277 O LEU A 21 -5.568 1.199 7.971 1.00 0.00 O ATOM 278 CB LEU A 21 -4.335 4.055 6.917 1.00 0.00 C ATOM 279 CG LEU A 21 -3.119 3.279 7.425 1.00 0.00 C ATOM 280 CD1 LEU A 21 -2.775 2.143 6.474 1.00 0.00 C ATOM 281 CD2 LEU A 21 -1.928 4.210 7.600 1.00 0.00 C ATOM 0 H LEU A 21 -6.667 5.045 6.850 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.475 2.576 5.852 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.070 4.528 5.972 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.552 4.855 7.625 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.365 2.850 8.396 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.907 1.602 6.852 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.623 1.462 6.399 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.548 2.550 5.488 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.072 3.641 7.962 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.681 4.668 6.642 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.178 4.988 8.321 1.00 0.00 H new ATOM 293 N ARG A 22 -6.501 2.998 8.949 1.00 0.00 N ATOM 294 CA ARG A 22 -6.827 2.294 10.183 1.00 0.00 C ATOM 295 C ARG A 22 -7.785 1.137 9.913 1.00 0.00 C ATOM 296 O ARG A 22 -7.700 0.087 10.549 1.00 0.00 O ATOM 297 CB ARG A 22 -7.448 3.257 11.196 1.00 0.00 C ATOM 298 CG ARG A 22 -8.964 3.333 11.115 1.00 0.00 C ATOM 299 CD ARG A 22 -9.622 2.262 11.970 1.00 0.00 C ATOM 300 NE ARG A 22 -9.730 2.667 13.369 1.00 0.00 N ATOM 301 CZ ARG A 22 -9.908 1.812 14.370 1.00 0.00 C ATOM 302 NH1 ARG A 22 -9.997 0.511 14.127 1.00 0.00 N ATOM 303 NH2 ARG A 22 -9.996 2.258 15.616 1.00 0.00 N ATOM 0 H ARG A 22 -6.778 3.980 8.938 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.903 1.889 10.595 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.162 2.948 12.201 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.034 4.253 11.039 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.298 4.318 11.442 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.280 3.218 10.078 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -10.616 2.045 11.578 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.045 1.340 11.903 1.00 0.00 H new ATOM 0 HE ARG A 22 -9.665 3.661 13.590 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.929 0.165 13.170 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.134 -0.144 14.897 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.927 3.258 15.806 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.133 1.601 16.384 1.00 0.00 H new ATOM 317 N GLU A 23 -8.695 1.338 8.965 1.00 0.00 N ATOM 318 CA GLU A 23 -9.669 0.312 8.612 1.00 0.00 C ATOM 319 C GLU A 23 -8.986 -0.883 7.953 1.00 0.00 C ATOM 320 O GLU A 23 -9.315 -2.034 8.237 1.00 0.00 O ATOM 321 CB GLU A 23 -10.732 0.888 7.674 1.00 0.00 C ATOM 322 CG GLU A 23 -10.190 1.283 6.310 1.00 0.00 C ATOM 323 CD GLU A 23 -11.287 1.671 5.337 1.00 0.00 C ATOM 324 OE1 GLU A 23 -12.211 2.405 5.745 1.00 0.00 O ATOM 325 OE2 GLU A 23 -11.220 1.240 4.167 1.00 0.00 O ATOM 0 H GLU A 23 -8.778 2.201 8.428 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.150 -0.027 9.529 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.525 0.152 7.541 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -11.184 1.762 8.143 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.500 2.118 6.425 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.619 0.452 5.896 1.00 0.00 H new ATOM 332 N MET A 24 -8.033 -0.599 7.070 1.00 0.00 N ATOM 333 CA MET A 24 -7.303 -1.650 6.371 1.00 0.00 C ATOM 334 C MET A 24 -6.455 -2.463 7.344 1.00 0.00 C ATOM 335 O MET A 24 -5.946 -3.530 6.997 1.00 0.00 O ATOM 336 CB MET A 24 -6.413 -1.045 5.283 1.00 0.00 C ATOM 337 CG MET A 24 -7.192 -0.430 4.132 1.00 0.00 C ATOM 338 SD MET A 24 -6.301 -0.512 2.567 1.00 0.00 S ATOM 339 CE MET A 24 -5.195 0.887 2.734 1.00 0.00 C ATOM 0 H MET A 24 -7.749 0.349 6.822 1.00 0.00 H new ATOM 0 HA MET A 24 -8.030 -2.316 5.907 1.00 0.00 H new ATOM 0 HB2 MET A 24 -5.777 -0.281 5.729 1.00 0.00 H new ATOM 0 HB3 MET A 24 -5.754 -1.820 4.892 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.147 -0.945 4.029 1.00 0.00 H new ATOM 0 HG3 MET A 24 -7.415 0.611 4.365 1.00 0.00 H new ATOM 0 HE1 MET A 24 -4.306 0.723 2.125 1.00 0.00 H new ATOM 0 HE2 MET A 24 -5.701 1.793 2.400 1.00 0.00 H new ATOM 0 HE3 MET A 24 -4.904 0.998 3.778 1.00 0.00 H new ATOM 349 N LEU A 25 -6.307 -1.953 8.561 1.00 0.00 N ATOM 350 CA LEU A 25 -5.521 -2.633 9.585 1.00 0.00 C ATOM 351 C LEU A 25 -6.420 -3.180 10.689 1.00 0.00 C ATOM 352 O LEU A 25 -5.976 -3.389 11.818 1.00 0.00 O ATOM 353 CB LEU A 25 -4.487 -1.676 10.181 1.00 0.00 C ATOM 354 CG LEU A 25 -3.193 -1.505 9.385 1.00 0.00 C ATOM 355 CD1 LEU A 25 -2.376 -0.347 9.937 1.00 0.00 C ATOM 356 CD2 LEU A 25 -2.380 -2.791 9.407 1.00 0.00 C ATOM 0 H LEU A 25 -6.721 -1.071 8.863 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.005 -3.470 9.115 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.952 -0.697 10.296 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.231 -2.026 11.181 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.452 -1.280 8.351 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.459 -0.240 9.358 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.957 0.573 9.869 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.126 -0.542 10.980 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.462 -2.651 8.836 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.131 -3.046 10.437 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.964 -3.598 8.964 1.00 0.00 H new ATOM 368 N SER A 26 -7.685 -3.413 10.354 1.00 0.00 N ATOM 369 CA SER A 26 -8.647 -3.934 11.317 1.00 0.00 C ATOM 370 C SER A 26 -9.049 -5.363 10.964 1.00 0.00 C ATOM 371 O SER A 26 -8.964 -5.777 9.808 1.00 0.00 O ATOM 372 CB SER A 26 -9.888 -3.041 11.365 1.00 0.00 C ATOM 373 OG SER A 26 -9.716 -1.978 12.286 1.00 0.00 O ATOM 0 H SER A 26 -8.067 -3.249 9.423 1.00 0.00 H new ATOM 0 HA SER A 26 -8.174 -3.939 12.299 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.088 -2.638 10.372 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.757 -3.635 11.649 1.00 0.00 H new ATOM 0 HG SER A 26 -9.133 -1.295 11.892 1.00 0.00 H new ATOM 379 N LYS A 27 -9.487 -6.114 11.970 1.00 0.00 N ATOM 380 CA LYS A 27 -9.903 -7.496 11.768 1.00 0.00 C ATOM 381 C LYS A 27 -10.737 -7.634 10.498 1.00 0.00 C ATOM 382 O LYS A 27 -10.655 -8.642 9.795 1.00 0.00 O ATOM 383 CB LYS A 27 -10.707 -7.989 12.974 1.00 0.00 C ATOM 384 CG LYS A 27 -11.979 -7.198 13.222 1.00 0.00 C ATOM 385 CD LYS A 27 -11.677 -5.815 13.773 1.00 0.00 C ATOM 386 CE LYS A 27 -12.859 -5.253 14.547 1.00 0.00 C ATOM 387 NZ LYS A 27 -12.429 -4.277 15.587 1.00 0.00 N ATOM 0 H LYS A 27 -9.563 -5.788 12.933 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.007 -8.107 11.661 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.965 -9.037 12.824 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.079 -7.939 13.864 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.538 -7.106 12.291 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.614 -7.739 13.923 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.805 -5.864 14.424 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.425 -5.143 12.953 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.548 -4.767 13.856 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.405 -6.070 15.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.264 -3.917 16.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.792 -4.747 16.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.930 -3.485 15.134 1.00 0.00 H new ATOM 401 N LYS A 28 -11.538 -6.614 10.208 1.00 0.00 N ATOM 402 CA LYS A 28 -12.385 -6.619 9.021 1.00 0.00 C ATOM 403 C LYS A 28 -11.560 -6.886 7.766 1.00 0.00 C ATOM 404 O LYS A 28 -11.861 -7.800 6.996 1.00 0.00 O ATOM 405 CB LYS A 28 -13.119 -5.283 8.887 1.00 0.00 C ATOM 406 CG LYS A 28 -14.487 -5.272 9.548 1.00 0.00 C ATOM 407 CD LYS A 28 -15.460 -6.191 8.829 1.00 0.00 C ATOM 408 CE LYS A 28 -16.233 -5.450 7.749 1.00 0.00 C ATOM 409 NZ LYS A 28 -15.484 -5.404 6.463 1.00 0.00 N ATOM 0 H LYS A 28 -11.618 -5.773 10.779 1.00 0.00 H new ATOM 0 HA LYS A 28 -13.117 -7.419 9.131 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -12.506 -4.496 9.326 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -13.234 -5.045 7.829 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.392 -5.583 10.588 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.881 -4.256 9.554 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.914 -7.022 8.382 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.158 -6.618 9.549 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.195 -5.938 7.592 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.442 -4.434 8.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -16.156 -5.327 5.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.850 -4.580 6.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.922 -6.273 6.357 1.00 0.00 H new ATOM 423 N HIS A 29 -10.519 -6.084 7.565 1.00 0.00 N ATOM 424 CA HIS A 29 -9.650 -6.236 6.404 1.00 0.00 C ATOM 425 C HIS A 29 -8.305 -6.835 6.806 1.00 0.00 C ATOM 426 O HIS A 29 -7.251 -6.322 6.434 1.00 0.00 O ATOM 427 CB HIS A 29 -9.436 -4.885 5.721 1.00 0.00 C ATOM 428 CG HIS A 29 -10.710 -4.153 5.429 1.00 0.00 C ATOM 429 ND1 HIS A 29 -11.863 -4.784 5.016 1.00 0.00 N ATOM 430 CD2 HIS A 29 -11.008 -2.834 5.496 1.00 0.00 C ATOM 431 CE1 HIS A 29 -12.815 -3.886 4.839 1.00 0.00 C ATOM 432 NE2 HIS A 29 -12.322 -2.694 5.124 1.00 0.00 N ATOM 0 H HIS A 29 -10.257 -5.323 8.191 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.136 -6.916 5.704 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.806 -4.262 6.356 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -8.894 -5.041 4.788 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -11.965 -5.788 4.870 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -10.337 -2.040 5.788 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -13.825 -4.091 4.516 1.00 0.00 H new ATOM 440 N ALA A 30 -8.352 -7.923 7.568 1.00 0.00 N ATOM 441 CA ALA A 30 -7.138 -8.591 8.019 1.00 0.00 C ATOM 442 C ALA A 30 -7.128 -10.056 7.594 1.00 0.00 C ATOM 443 O ALA A 30 -6.105 -10.733 7.692 1.00 0.00 O ATOM 444 CB ALA A 30 -7.003 -8.477 9.530 1.00 0.00 C ATOM 0 H ALA A 30 -9.217 -8.360 7.886 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.286 -8.098 7.551 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.092 -8.980 9.853 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.956 -7.425 9.813 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.864 -8.943 10.008 1.00 0.00 H new ATOM 450 N ALA A 31 -8.273 -10.538 7.123 1.00 0.00 N ATOM 451 CA ALA A 31 -8.395 -11.922 6.682 1.00 0.00 C ATOM 452 C ALA A 31 -8.076 -12.056 5.197 1.00 0.00 C ATOM 453 O ALA A 31 -7.681 -13.124 4.730 1.00 0.00 O ATOM 454 CB ALA A 31 -9.793 -12.448 6.973 1.00 0.00 C ATOM 0 H ALA A 31 -9.129 -9.991 7.037 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.671 -12.519 7.237 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.869 -13.483 6.638 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.985 -12.398 8.045 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.528 -11.840 6.444 1.00 0.00 H new ATOM 460 N TYR A 32 -8.250 -10.965 4.459 1.00 0.00 N ATOM 461 CA TYR A 32 -7.983 -10.961 3.026 1.00 0.00 C ATOM 462 C TYR A 32 -7.086 -9.788 2.642 1.00 0.00 C ATOM 463 O TYR A 32 -6.684 -9.652 1.486 1.00 0.00 O ATOM 464 CB TYR A 32 -9.295 -10.892 2.242 1.00 0.00 C ATOM 465 CG TYR A 32 -10.318 -9.961 2.854 1.00 0.00 C ATOM 466 CD1 TYR A 32 -10.275 -8.594 2.612 1.00 0.00 C ATOM 467 CD2 TYR A 32 -11.327 -10.450 3.675 1.00 0.00 C ATOM 468 CE1 TYR A 32 -11.207 -7.740 3.169 1.00 0.00 C ATOM 469 CE2 TYR A 32 -12.264 -9.604 4.236 1.00 0.00 C ATOM 470 CZ TYR A 32 -12.200 -8.250 3.980 1.00 0.00 C ATOM 471 OH TYR A 32 -13.131 -7.403 4.537 1.00 0.00 O ATOM 0 H TYR A 32 -8.575 -10.072 4.830 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.466 -11.887 2.776 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -9.083 -10.566 1.224 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -9.721 -11.893 2.175 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -9.499 -8.192 1.977 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -11.380 -11.509 3.878 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -11.159 -6.679 2.971 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -13.042 -10.000 4.871 1.00 0.00 H new ATOM 0 HH TYR A 32 -12.976 -7.336 5.502 1.00 0.00 H new ATOM 481 N ALA A 33 -6.775 -8.944 3.620 1.00 0.00 N ATOM 482 CA ALA A 33 -5.923 -7.785 3.387 1.00 0.00 C ATOM 483 C ALA A 33 -4.670 -7.841 4.253 1.00 0.00 C ATOM 484 O ALA A 33 -4.093 -6.808 4.594 1.00 0.00 O ATOM 485 CB ALA A 33 -6.695 -6.501 3.654 1.00 0.00 C ATOM 0 H ALA A 33 -7.101 -9.041 4.582 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.611 -7.798 2.343 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.047 -5.643 3.476 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.556 -6.449 2.988 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.036 -6.490 4.689 1.00 0.00 H new ATOM 491 N TRP A 34 -4.255 -9.052 4.607 1.00 0.00 N ATOM 492 CA TRP A 34 -3.069 -9.242 5.435 1.00 0.00 C ATOM 493 C TRP A 34 -1.803 -9.223 4.586 1.00 0.00 C ATOM 494 O TRP A 34 -0.728 -8.827 5.035 1.00 0.00 O ATOM 495 CB TRP A 34 -3.164 -10.562 6.202 1.00 0.00 C ATOM 496 CG TRP A 34 -3.741 -11.681 5.389 1.00 0.00 C ATOM 497 CD1 TRP A 34 -5.062 -11.905 5.123 1.00 0.00 C ATOM 498 CD2 TRP A 34 -3.015 -12.730 4.739 1.00 0.00 C ATOM 499 NE1 TRP A 34 -5.201 -13.030 4.347 1.00 0.00 N ATOM 500 CE2 TRP A 34 -3.960 -13.554 4.096 1.00 0.00 C ATOM 501 CE3 TRP A 34 -1.660 -13.053 4.635 1.00 0.00 C ATOM 502 CZ2 TRP A 34 -3.590 -14.678 3.363 1.00 0.00 C ATOM 503 CZ3 TRP A 34 -1.294 -14.169 3.907 1.00 0.00 C ATOM 504 CH2 TRP A 34 -2.256 -14.970 3.278 1.00 0.00 C ATOM 0 H TRP A 34 -4.722 -9.917 4.334 1.00 0.00 H new ATOM 0 HA TRP A 34 -3.018 -8.419 6.147 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -2.169 -10.847 6.545 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -3.778 -10.414 7.091 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -5.877 -11.288 5.472 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -6.085 -13.413 4.012 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -0.911 -12.441 5.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -4.330 -15.298 2.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -0.249 -14.428 3.821 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -1.938 -15.835 2.715 1.00 0.00 H new ATOM 515 N PRO A 35 -1.929 -9.661 3.325 1.00 0.00 N ATOM 516 CA PRO A 35 -0.732 -9.658 2.477 1.00 0.00 C ATOM 517 C PRO A 35 0.020 -8.333 2.542 1.00 0.00 C ATOM 518 O PRO A 35 1.212 -8.269 2.242 1.00 0.00 O ATOM 519 CB PRO A 35 -1.293 -9.886 1.071 1.00 0.00 C ATOM 520 CG PRO A 35 -2.574 -10.614 1.288 1.00 0.00 C ATOM 521 CD PRO A 35 -3.114 -10.168 2.612 1.00 0.00 C ATOM 0 HA PRO A 35 -0.009 -10.411 2.789 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.457 -8.941 0.552 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.605 -10.470 0.460 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.282 -10.394 0.489 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.411 -11.692 1.282 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.871 -9.393 2.494 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.582 -10.992 3.151 1.00 0.00 H new ATOM 529 N PHE A 36 -0.684 -7.277 2.936 1.00 0.00 N ATOM 530 CA PHE A 36 -0.082 -5.953 3.040 1.00 0.00 C ATOM 531 C PHE A 36 0.008 -5.509 4.497 1.00 0.00 C ATOM 532 O PHE A 36 -0.235 -4.346 4.820 1.00 0.00 O ATOM 533 CB PHE A 36 -0.893 -4.936 2.235 1.00 0.00 C ATOM 534 CG PHE A 36 -1.356 -5.456 0.904 1.00 0.00 C ATOM 535 CD1 PHE A 36 -2.545 -6.159 0.796 1.00 0.00 C ATOM 536 CD2 PHE A 36 -0.601 -5.243 -0.238 1.00 0.00 C ATOM 537 CE1 PHE A 36 -2.972 -6.640 -0.428 1.00 0.00 C ATOM 538 CE2 PHE A 36 -1.024 -5.721 -1.464 1.00 0.00 C ATOM 539 CZ PHE A 36 -2.212 -6.420 -1.559 1.00 0.00 C ATOM 0 H PHE A 36 -1.672 -7.312 3.188 1.00 0.00 H new ATOM 0 HA PHE A 36 0.927 -6.008 2.632 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.762 -4.632 2.819 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.287 -4.044 2.077 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.145 -6.333 1.677 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.328 -4.697 -0.169 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.900 -7.188 -0.499 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.426 -5.548 -2.347 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.545 -6.793 -2.516 1.00 0.00 H new ATOM 549 N TYR A 37 0.359 -6.444 5.373 1.00 0.00 N ATOM 550 CA TYR A 37 0.479 -6.151 6.797 1.00 0.00 C ATOM 551 C TYR A 37 1.941 -6.158 7.233 1.00 0.00 C ATOM 552 O TYR A 37 2.428 -5.196 7.827 1.00 0.00 O ATOM 553 CB TYR A 37 -0.315 -7.170 7.617 1.00 0.00 C ATOM 554 CG TYR A 37 -1.743 -6.753 7.883 1.00 0.00 C ATOM 555 CD1 TYR A 37 -2.540 -6.245 6.865 1.00 0.00 C ATOM 556 CD2 TYR A 37 -2.296 -6.865 9.153 1.00 0.00 C ATOM 557 CE1 TYR A 37 -3.846 -5.861 7.103 1.00 0.00 C ATOM 558 CE2 TYR A 37 -3.600 -6.486 9.400 1.00 0.00 C ATOM 559 CZ TYR A 37 -4.372 -5.984 8.373 1.00 0.00 C ATOM 560 OH TYR A 37 -5.671 -5.603 8.615 1.00 0.00 O ATOM 0 H TYR A 37 0.565 -7.411 5.122 1.00 0.00 H new ATOM 0 HA TYR A 37 0.071 -5.156 6.973 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.316 -8.125 7.091 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.191 -7.331 8.569 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.132 -6.148 5.870 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.695 -7.255 9.961 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.451 -5.467 6.300 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -4.014 -6.582 10.393 1.00 0.00 H new ATOM 0 HH TYR A 37 -5.991 -5.044 7.876 1.00 0.00 H new ATOM 570 N LYS A 38 2.635 -7.250 6.934 1.00 0.00 N ATOM 571 CA LYS A 38 4.042 -7.385 7.293 1.00 0.00 C ATOM 572 C LYS A 38 4.941 -6.967 6.133 1.00 0.00 C ATOM 573 O LYS A 38 4.573 -7.068 4.963 1.00 0.00 O ATOM 574 CB LYS A 38 4.351 -8.828 7.697 1.00 0.00 C ATOM 575 CG LYS A 38 3.407 -9.380 8.751 1.00 0.00 C ATOM 576 CD LYS A 38 4.094 -10.413 9.629 1.00 0.00 C ATOM 577 CE LYS A 38 5.109 -9.767 10.559 1.00 0.00 C ATOM 578 NZ LYS A 38 6.460 -9.688 9.936 1.00 0.00 N ATOM 0 H LYS A 38 2.246 -8.055 6.444 1.00 0.00 H new ATOM 0 HA LYS A 38 4.240 -6.727 8.139 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.304 -9.462 6.812 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.373 -8.880 8.073 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.035 -8.564 9.371 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.542 -9.831 8.265 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.347 -10.946 10.218 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.592 -11.152 9.001 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.772 -8.765 10.824 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.169 -10.339 11.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.145 -10.204 10.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.430 -10.113 8.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.750 -8.692 9.861 1.00 0.00 H new ATOM 592 N PRO A 39 6.150 -6.487 6.464 1.00 0.00 N ATOM 593 CA PRO A 39 7.127 -6.047 5.464 1.00 0.00 C ATOM 594 C PRO A 39 7.699 -7.210 4.661 1.00 0.00 C ATOM 595 O PRO A 39 7.995 -8.271 5.211 1.00 0.00 O ATOM 596 CB PRO A 39 8.222 -5.387 6.305 1.00 0.00 C ATOM 597 CG PRO A 39 8.115 -6.034 7.642 1.00 0.00 C ATOM 598 CD PRO A 39 6.655 -6.339 7.839 1.00 0.00 C ATOM 0 HA PRO A 39 6.681 -5.383 4.723 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.207 -5.545 5.866 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.073 -4.309 6.374 1.00 0.00 H new ATOM 0 HG2 PRO A 39 8.713 -6.944 7.684 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.485 -5.373 8.426 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.509 -7.249 8.421 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.145 -5.536 8.370 1.00 0.00 H new ATOM 606 N VAL A 40 7.855 -7.003 3.357 1.00 0.00 N ATOM 607 CA VAL A 40 8.394 -8.035 2.479 1.00 0.00 C ATOM 608 C VAL A 40 9.917 -8.072 2.545 1.00 0.00 C ATOM 609 O VAL A 40 10.577 -7.035 2.480 1.00 0.00 O ATOM 610 CB VAL A 40 7.961 -7.811 1.018 1.00 0.00 C ATOM 611 CG1 VAL A 40 8.479 -6.476 0.505 1.00 0.00 C ATOM 612 CG2 VAL A 40 8.444 -8.954 0.138 1.00 0.00 C ATOM 0 H VAL A 40 7.616 -6.131 2.886 1.00 0.00 H new ATOM 0 HA VAL A 40 7.994 -8.987 2.827 1.00 0.00 H new ATOM 0 HB VAL A 40 6.872 -7.789 0.980 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.163 -6.336 -0.529 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.078 -5.670 1.119 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.568 -6.464 0.556 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.129 -8.779 -0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.532 -9.011 0.180 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.018 -9.892 0.493 1.00 0.00 H new ATOM 622 N ASP A 41 10.468 -9.274 2.674 1.00 0.00 N ATOM 623 CA ASP A 41 11.914 -9.447 2.748 1.00 0.00 C ATOM 624 C ASP A 41 12.395 -10.452 1.705 1.00 0.00 C ATOM 625 O ASP A 41 12.237 -11.660 1.874 1.00 0.00 O ATOM 626 CB ASP A 41 12.323 -9.911 4.147 1.00 0.00 C ATOM 627 CG ASP A 41 13.794 -9.674 4.429 1.00 0.00 C ATOM 628 OD1 ASP A 41 14.191 -8.497 4.554 1.00 0.00 O ATOM 629 OD2 ASP A 41 14.547 -10.666 4.524 1.00 0.00 O ATOM 0 H ASP A 41 9.936 -10.142 2.729 1.00 0.00 H new ATOM 0 HA ASP A 41 12.381 -8.484 2.542 1.00 0.00 H new ATOM 0 HB2 ASP A 41 11.724 -9.385 4.891 1.00 0.00 H new ATOM 0 HB3 ASP A 41 12.102 -10.973 4.253 1.00 0.00 H new ATOM 634 N ALA A 42 12.982 -9.942 0.627 1.00 0.00 N ATOM 635 CA ALA A 42 13.486 -10.794 -0.443 1.00 0.00 C ATOM 636 C ALA A 42 14.446 -11.846 0.100 1.00 0.00 C ATOM 637 O ALA A 42 14.294 -13.037 -0.171 1.00 0.00 O ATOM 638 CB ALA A 42 14.170 -9.952 -1.510 1.00 0.00 C ATOM 0 H ALA A 42 13.120 -8.943 0.472 1.00 0.00 H new ATOM 0 HA ALA A 42 12.638 -11.311 -0.893 1.00 0.00 H new ATOM 0 HB1 ALA A 42 14.542 -10.601 -2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.455 -9.242 -1.927 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.004 -9.408 -1.065 1.00 0.00 H new ATOM 751 N TYR A 50 13.176 -10.006 -7.097 1.00 0.00 N ATOM 752 CA TYR A 50 11.913 -9.407 -6.684 1.00 0.00 C ATOM 753 C TYR A 50 11.897 -7.910 -6.982 1.00 0.00 C ATOM 754 O TYR A 50 10.921 -7.382 -7.515 1.00 0.00 O ATOM 755 CB TYR A 50 11.676 -9.643 -5.191 1.00 0.00 C ATOM 756 CG TYR A 50 10.500 -8.874 -4.635 1.00 0.00 C ATOM 757 CD1 TYR A 50 9.245 -8.960 -5.227 1.00 0.00 C ATOM 758 CD2 TYR A 50 10.642 -8.059 -3.519 1.00 0.00 C ATOM 759 CE1 TYR A 50 8.167 -8.258 -4.723 1.00 0.00 C ATOM 760 CE2 TYR A 50 9.569 -7.355 -3.007 1.00 0.00 C ATOM 761 CZ TYR A 50 8.334 -7.457 -3.613 1.00 0.00 C ATOM 762 OH TYR A 50 7.264 -6.756 -3.107 1.00 0.00 O ATOM 0 HA TYR A 50 11.113 -9.881 -7.252 1.00 0.00 H new ATOM 0 HB2 TYR A 50 11.516 -10.708 -5.021 1.00 0.00 H new ATOM 0 HB3 TYR A 50 12.575 -9.364 -4.641 1.00 0.00 H new ATOM 0 HD1 TYR A 50 9.110 -9.587 -6.096 1.00 0.00 H new ATOM 0 HD2 TYR A 50 11.608 -7.974 -3.043 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.199 -8.336 -5.196 1.00 0.00 H new ATOM 0 HE2 TYR A 50 9.697 -6.728 -2.137 1.00 0.00 H new ATOM 0 HH TYR A 50 6.997 -7.142 -2.247 1.00 0.00 H new ATOM 772 N HIS A 51 12.986 -7.233 -6.633 1.00 0.00 N ATOM 773 CA HIS A 51 13.099 -5.797 -6.864 1.00 0.00 C ATOM 774 C HIS A 51 13.145 -5.488 -8.357 1.00 0.00 C ATOM 775 O HIS A 51 12.500 -4.551 -8.827 1.00 0.00 O ATOM 776 CB HIS A 51 14.351 -5.246 -6.179 1.00 0.00 C ATOM 777 CG HIS A 51 14.365 -5.460 -4.697 1.00 0.00 C ATOM 778 ND1 HIS A 51 13.398 -4.954 -3.854 1.00 0.00 N ATOM 779 CD2 HIS A 51 15.237 -6.130 -3.908 1.00 0.00 C ATOM 780 CE1 HIS A 51 13.675 -5.303 -2.610 1.00 0.00 C ATOM 781 NE2 HIS A 51 14.786 -6.018 -2.616 1.00 0.00 N ATOM 0 H HIS A 51 13.802 -7.655 -6.190 1.00 0.00 H new ATOM 0 HA HIS A 51 12.219 -5.316 -6.438 1.00 0.00 H new ATOM 0 HB2 HIS A 51 15.231 -5.719 -6.615 1.00 0.00 H new ATOM 0 HB3 HIS A 51 14.428 -4.178 -6.385 1.00 0.00 H new ATOM 0 HD2 HIS A 51 16.123 -6.655 -4.234 1.00 0.00 H new ATOM 0 HE1 HIS A 51 13.093 -5.047 -1.737 1.00 0.00 H new ATOM 0 HE2 HIS A 51 15.236 -6.421 -1.794 1.00 0.00 H new ATOM 789 N ASP A 52 13.911 -6.282 -9.097 1.00 0.00 N ATOM 790 CA ASP A 52 14.041 -6.094 -10.538 1.00 0.00 C ATOM 791 C ASP A 52 12.675 -5.876 -11.182 1.00 0.00 C ATOM 792 O ASP A 52 12.462 -4.890 -11.889 1.00 0.00 O ATOM 793 CB ASP A 52 14.730 -7.303 -11.171 1.00 0.00 C ATOM 794 CG ASP A 52 16.023 -7.667 -10.468 1.00 0.00 C ATOM 795 OD1 ASP A 52 15.972 -7.994 -9.265 1.00 0.00 O ATOM 796 OD2 ASP A 52 17.087 -7.624 -11.122 1.00 0.00 O ATOM 0 H ASP A 52 14.451 -7.062 -8.723 1.00 0.00 H new ATOM 0 HA ASP A 52 14.650 -5.207 -10.711 1.00 0.00 H new ATOM 0 HB2 ASP A 52 14.053 -8.157 -11.146 1.00 0.00 H new ATOM 0 HB3 ASP A 52 14.937 -7.091 -12.220 1.00 0.00 H new ATOM 801 N ILE A 53 11.755 -6.801 -10.934 1.00 0.00 N ATOM 802 CA ILE A 53 10.411 -6.709 -11.490 1.00 0.00 C ATOM 803 C ILE A 53 9.610 -5.602 -10.814 1.00 0.00 C ATOM 804 O ILE A 53 8.846 -4.888 -11.464 1.00 0.00 O ATOM 805 CB ILE A 53 9.649 -8.040 -11.344 1.00 0.00 C ATOM 806 CG1 ILE A 53 10.373 -9.153 -12.103 1.00 0.00 C ATOM 807 CG2 ILE A 53 8.221 -7.891 -11.847 1.00 0.00 C ATOM 808 CD1 ILE A 53 10.183 -10.524 -11.492 1.00 0.00 C ATOM 0 H ILE A 53 11.915 -7.623 -10.352 1.00 0.00 H new ATOM 0 HA ILE A 53 10.524 -6.478 -12.549 1.00 0.00 H new ATOM 0 HB ILE A 53 9.615 -8.308 -10.288 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.017 -9.171 -13.133 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.438 -8.924 -12.138 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.696 -8.840 -11.737 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.709 -7.123 -11.267 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.234 -7.603 -12.898 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.724 -11.264 -12.082 1.00 0.00 H new ATOM 0 HD12 ILE A 53 10.566 -10.524 -10.471 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.122 -10.774 -11.482 1.00 0.00 H new ATOM 820 N ILE A 54 9.792 -5.463 -9.505 1.00 0.00 N ATOM 821 CA ILE A 54 9.089 -4.440 -8.741 1.00 0.00 C ATOM 822 C ILE A 54 9.988 -3.237 -8.476 1.00 0.00 C ATOM 823 O ILE A 54 10.780 -3.234 -7.533 1.00 0.00 O ATOM 824 CB ILE A 54 8.580 -4.991 -7.396 1.00 0.00 C ATOM 825 CG1 ILE A 54 7.506 -6.056 -7.630 1.00 0.00 C ATOM 826 CG2 ILE A 54 8.036 -3.863 -6.532 1.00 0.00 C ATOM 827 CD1 ILE A 54 6.425 -5.621 -8.594 1.00 0.00 C ATOM 0 H ILE A 54 10.420 -6.046 -8.952 1.00 0.00 H new ATOM 0 HA ILE A 54 8.236 -4.128 -9.343 1.00 0.00 H new ATOM 0 HB ILE A 54 9.416 -5.453 -6.870 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.980 -6.961 -8.012 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.048 -6.315 -6.675 1.00 0.00 H new ATOM 0 HG21 ILE A 54 7.680 -4.269 -5.585 1.00 0.00 H new ATOM 0 HG22 ILE A 54 8.826 -3.137 -6.341 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.211 -3.374 -7.050 1.00 0.00 H new ATOM 0 HD11 ILE A 54 5.698 -6.425 -8.712 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.925 -4.734 -8.204 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.871 -5.390 -9.561 1.00 0.00 H new ATOM 839 N LYS A 55 9.859 -2.213 -9.314 1.00 0.00 N ATOM 840 CA LYS A 55 10.657 -1.001 -9.170 1.00 0.00 C ATOM 841 C LYS A 55 10.920 -0.694 -7.699 1.00 0.00 C ATOM 842 O LYS A 55 12.065 -0.489 -7.293 1.00 0.00 O ATOM 843 CB LYS A 55 9.946 0.183 -9.830 1.00 0.00 C ATOM 844 CG LYS A 55 9.900 0.097 -11.346 1.00 0.00 C ATOM 845 CD LYS A 55 11.248 0.430 -11.964 1.00 0.00 C ATOM 846 CE LYS A 55 11.463 1.933 -12.056 1.00 0.00 C ATOM 847 NZ LYS A 55 10.543 2.565 -13.042 1.00 0.00 N ATOM 0 H LYS A 55 9.209 -2.199 -10.100 1.00 0.00 H new ATOM 0 HA LYS A 55 11.614 -1.165 -9.665 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.927 0.244 -9.447 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.450 1.105 -9.542 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.599 -0.907 -11.646 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.144 0.783 -11.728 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.043 -0.017 -11.367 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.312 -0.009 -12.960 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.309 2.383 -11.075 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.495 2.136 -12.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 10.932 3.481 -13.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.442 1.944 -13.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.612 2.712 -12.603 1.00 0.00 H new ATOM 861 N HIS A 56 9.855 -0.666 -6.905 1.00 0.00 N ATOM 862 CA HIS A 56 9.972 -0.386 -5.479 1.00 0.00 C ATOM 863 C HIS A 56 8.793 -0.977 -4.710 1.00 0.00 C ATOM 864 O HIS A 56 7.635 -0.630 -4.939 1.00 0.00 O ATOM 865 CB HIS A 56 10.047 1.122 -5.238 1.00 0.00 C ATOM 866 CG HIS A 56 11.054 1.817 -6.101 1.00 0.00 C ATOM 867 ND1 HIS A 56 12.414 1.727 -5.894 1.00 0.00 N ATOM 868 CD2 HIS A 56 10.892 2.616 -7.182 1.00 0.00 C ATOM 869 CE1 HIS A 56 13.045 2.442 -6.808 1.00 0.00 C ATOM 870 NE2 HIS A 56 12.144 2.991 -7.603 1.00 0.00 N ATOM 0 H HIS A 56 8.901 -0.834 -7.225 1.00 0.00 H new ATOM 0 HA HIS A 56 10.889 -0.851 -5.117 1.00 0.00 H new ATOM 0 HB2 HIS A 56 9.065 1.559 -5.416 1.00 0.00 H new ATOM 0 HB3 HIS A 56 10.291 1.303 -4.191 1.00 0.00 H new ATOM 0 HD2 HIS A 56 9.953 2.905 -7.630 1.00 0.00 H new ATOM 0 HE1 HIS A 56 14.116 2.558 -6.891 1.00 0.00 H new ATOM 0 HE2 HIS A 56 12.346 3.595 -8.400 1.00 0.00 H new ATOM 878 N PRO A 57 9.094 -1.893 -3.778 1.00 0.00 N ATOM 879 CA PRO A 57 8.074 -2.552 -2.958 1.00 0.00 C ATOM 880 C PRO A 57 7.431 -1.600 -1.955 1.00 0.00 C ATOM 881 O PRO A 57 8.101 -0.737 -1.388 1.00 0.00 O ATOM 882 CB PRO A 57 8.857 -3.647 -2.229 1.00 0.00 C ATOM 883 CG PRO A 57 10.259 -3.146 -2.187 1.00 0.00 C ATOM 884 CD PRO A 57 10.454 -2.355 -3.452 1.00 0.00 C ATOM 0 HA PRO A 57 7.248 -2.929 -3.561 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.465 -3.812 -1.225 1.00 0.00 H new ATOM 0 HB3 PRO A 57 8.792 -4.598 -2.757 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.425 -2.523 -1.308 1.00 0.00 H new ATOM 0 HG3 PRO A 57 10.967 -3.973 -2.130 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.137 -1.519 -3.302 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.872 -2.969 -4.250 1.00 0.00 H new ATOM 892 N MET A 58 6.129 -1.762 -1.742 1.00 0.00 N ATOM 893 CA MET A 58 5.397 -0.916 -0.806 1.00 0.00 C ATOM 894 C MET A 58 4.587 -1.762 0.171 1.00 0.00 C ATOM 895 O MET A 58 4.351 -2.947 -0.066 1.00 0.00 O ATOM 896 CB MET A 58 4.471 0.037 -1.564 1.00 0.00 C ATOM 897 CG MET A 58 3.890 1.139 -0.693 1.00 0.00 C ATOM 898 SD MET A 58 5.158 2.073 0.184 1.00 0.00 S ATOM 899 CE MET A 58 5.510 3.365 -1.006 1.00 0.00 C ATOM 0 H MET A 58 5.560 -2.471 -2.204 1.00 0.00 H new ATOM 0 HA MET A 58 6.122 -0.332 -0.239 1.00 0.00 H new ATOM 0 HB2 MET A 58 5.023 0.489 -2.388 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.655 -0.536 -2.004 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.308 1.819 -1.315 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.202 0.701 0.030 1.00 0.00 H new ATOM 0 HE1 MET A 58 5.889 4.245 -0.486 1.00 0.00 H new ATOM 0 HE2 MET A 58 6.258 3.012 -1.716 1.00 0.00 H new ATOM 0 HE3 MET A 58 4.597 3.625 -1.541 1.00 0.00 H new ATOM 909 N ASP A 59 4.165 -1.146 1.270 1.00 0.00 N ATOM 910 CA ASP A 59 3.380 -1.843 2.283 1.00 0.00 C ATOM 911 C ASP A 59 2.678 -0.850 3.204 1.00 0.00 C ATOM 912 O ASP A 59 3.104 0.298 3.337 1.00 0.00 O ATOM 913 CB ASP A 59 4.276 -2.772 3.103 1.00 0.00 C ATOM 914 CG ASP A 59 5.607 -2.135 3.451 1.00 0.00 C ATOM 915 OD1 ASP A 59 6.393 -1.855 2.522 1.00 0.00 O ATOM 916 OD2 ASP A 59 5.862 -1.914 4.654 1.00 0.00 O ATOM 0 H ASP A 59 4.353 -0.166 1.482 1.00 0.00 H new ATOM 0 HA ASP A 59 2.622 -2.438 1.774 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.760 -3.053 4.021 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.452 -3.690 2.543 1.00 0.00 H new ATOM 921 N LEU A 60 1.600 -1.298 3.837 1.00 0.00 N ATOM 922 CA LEU A 60 0.837 -0.449 4.746 1.00 0.00 C ATOM 923 C LEU A 60 1.721 0.072 5.875 1.00 0.00 C ATOM 924 O LEU A 60 1.602 1.225 6.287 1.00 0.00 O ATOM 925 CB LEU A 60 -0.347 -1.224 5.326 1.00 0.00 C ATOM 926 CG LEU A 60 -1.603 -1.281 4.455 1.00 0.00 C ATOM 927 CD1 LEU A 60 -2.540 -2.376 4.941 1.00 0.00 C ATOM 928 CD2 LEU A 60 -2.310 0.066 4.449 1.00 0.00 C ATOM 0 H LEU A 60 1.234 -2.245 3.738 1.00 0.00 H new ATOM 0 HA LEU A 60 0.463 0.404 4.180 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.023 -2.245 5.529 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.613 -0.778 6.284 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.303 -1.515 3.433 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.428 -2.402 4.309 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.031 -3.339 4.891 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.833 -2.173 5.971 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.201 0.006 3.824 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.597 0.331 5.467 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.639 0.827 4.052 1.00 0.00 H new ATOM 940 N SER A 61 2.607 -0.786 6.369 1.00 0.00 N ATOM 941 CA SER A 61 3.510 -0.413 7.452 1.00 0.00 C ATOM 942 C SER A 61 4.239 0.888 7.128 1.00 0.00 C ATOM 943 O SER A 61 4.337 1.784 7.967 1.00 0.00 O ATOM 944 CB SER A 61 4.525 -1.530 7.705 1.00 0.00 C ATOM 945 OG SER A 61 5.531 -1.109 8.611 1.00 0.00 O ATOM 0 H SER A 61 2.719 -1.744 6.037 1.00 0.00 H new ATOM 0 HA SER A 61 2.915 -0.261 8.352 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.014 -2.406 8.105 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.983 -1.830 6.762 1.00 0.00 H new ATOM 0 HG SER A 61 6.166 -1.841 8.757 1.00 0.00 H new ATOM 951 N THR A 62 4.748 0.985 5.904 1.00 0.00 N ATOM 952 CA THR A 62 5.469 2.174 5.468 1.00 0.00 C ATOM 953 C THR A 62 4.560 3.398 5.468 1.00 0.00 C ATOM 954 O THR A 62 4.919 4.450 5.997 1.00 0.00 O ATOM 955 CB THR A 62 6.059 1.987 4.057 1.00 0.00 C ATOM 956 OG1 THR A 62 6.935 0.855 4.039 1.00 0.00 O ATOM 957 CG2 THR A 62 6.820 3.230 3.621 1.00 0.00 C ATOM 0 H THR A 62 4.674 0.254 5.197 1.00 0.00 H new ATOM 0 HA THR A 62 6.283 2.329 6.177 1.00 0.00 H new ATOM 0 HB THR A 62 5.236 1.820 3.362 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.305 0.742 3.138 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.228 3.075 2.622 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.144 4.085 3.609 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.634 3.422 4.320 1.00 0.00 H new ATOM 965 N VAL A 63 3.381 3.254 4.871 1.00 0.00 N ATOM 966 CA VAL A 63 2.419 4.348 4.804 1.00 0.00 C ATOM 967 C VAL A 63 2.092 4.878 6.196 1.00 0.00 C ATOM 968 O VAL A 63 2.113 6.086 6.433 1.00 0.00 O ATOM 969 CB VAL A 63 1.114 3.907 4.115 1.00 0.00 C ATOM 970 CG1 VAL A 63 0.115 5.053 4.079 1.00 0.00 C ATOM 971 CG2 VAL A 63 1.400 3.394 2.712 1.00 0.00 C ATOM 0 H VAL A 63 3.069 2.390 4.427 1.00 0.00 H new ATOM 0 HA VAL A 63 2.882 5.141 4.216 1.00 0.00 H new ATOM 0 HB VAL A 63 0.676 3.093 4.693 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.801 4.722 3.589 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.113 5.369 5.097 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.541 5.890 3.526 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.467 3.087 2.240 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.862 4.186 2.122 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.077 2.541 2.767 1.00 0.00 H new ATOM 981 N LYS A 64 1.791 3.967 7.114 1.00 0.00 N ATOM 982 CA LYS A 64 1.461 4.341 8.484 1.00 0.00 C ATOM 983 C LYS A 64 2.596 5.137 9.120 1.00 0.00 C ATOM 984 O LYS A 64 2.359 6.050 9.911 1.00 0.00 O ATOM 985 CB LYS A 64 1.170 3.092 9.320 1.00 0.00 C ATOM 986 CG LYS A 64 0.470 3.389 10.635 1.00 0.00 C ATOM 987 CD LYS A 64 0.709 2.289 11.655 1.00 0.00 C ATOM 988 CE LYS A 64 -0.015 2.573 12.962 1.00 0.00 C ATOM 989 NZ LYS A 64 0.804 3.412 13.879 1.00 0.00 N ATOM 0 H LYS A 64 1.769 2.963 6.934 1.00 0.00 H new ATOM 0 HA LYS A 64 0.571 4.969 8.457 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.553 2.410 8.736 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.108 2.576 9.526 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.828 4.339 11.032 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.600 3.499 10.462 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.370 1.336 11.250 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.778 2.193 11.844 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.958 3.078 12.752 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.260 1.631 13.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 0.182 3.888 14.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.482 2.810 14.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 1.322 4.125 13.327 1.00 0.00 H new ATOM 1003 N ARG A 65 3.828 4.787 8.766 1.00 0.00 N ATOM 1004 CA ARG A 65 5.000 5.470 9.302 1.00 0.00 C ATOM 1005 C ARG A 65 5.027 6.930 8.861 1.00 0.00 C ATOM 1006 O ARG A 65 5.220 7.833 9.675 1.00 0.00 O ATOM 1007 CB ARG A 65 6.279 4.765 8.848 1.00 0.00 C ATOM 1008 CG ARG A 65 6.615 3.526 9.662 1.00 0.00 C ATOM 1009 CD ARG A 65 7.435 3.875 10.895 1.00 0.00 C ATOM 1010 NE ARG A 65 6.611 4.445 11.957 1.00 0.00 N ATOM 1011 CZ ARG A 65 7.098 5.174 12.954 1.00 0.00 C ATOM 1012 NH1 ARG A 65 8.399 5.422 13.024 1.00 0.00 N ATOM 1013 NH2 ARG A 65 6.285 5.658 13.884 1.00 0.00 N ATOM 0 H ARG A 65 4.041 4.035 8.111 1.00 0.00 H new ATOM 0 HA ARG A 65 4.942 5.438 10.390 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.176 4.484 7.800 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.111 5.466 8.909 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.694 3.028 9.965 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.170 2.821 9.042 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.933 2.979 11.264 1.00 0.00 H new ATOM 0 HD3 ARG A 65 8.216 4.584 10.622 1.00 0.00 H new ATOM 0 HE ARG A 65 5.606 4.274 11.932 1.00 0.00 H new ATOM 0 HH11 ARG A 65 9.028 5.052 12.311 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.771 5.982 13.791 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.284 5.470 13.834 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.661 6.218 14.649 1.00 0.00 H new ATOM 1027 N LYS A 66 4.833 7.156 7.566 1.00 0.00 N ATOM 1028 CA LYS A 66 4.834 8.506 7.015 1.00 0.00 C ATOM 1029 C LYS A 66 3.701 9.337 7.609 1.00 0.00 C ATOM 1030 O LYS A 66 3.932 10.410 8.165 1.00 0.00 O ATOM 1031 CB LYS A 66 4.700 8.457 5.491 1.00 0.00 C ATOM 1032 CG LYS A 66 6.004 8.153 4.775 1.00 0.00 C ATOM 1033 CD LYS A 66 5.797 8.011 3.276 1.00 0.00 C ATOM 1034 CE LYS A 66 5.546 9.358 2.618 1.00 0.00 C ATOM 1035 NZ LYS A 66 5.837 9.325 1.158 1.00 0.00 N ATOM 0 H LYS A 66 4.673 6.420 6.878 1.00 0.00 H new ATOM 0 HA LYS A 66 5.782 8.977 7.275 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.963 7.699 5.224 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.316 9.414 5.138 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.722 8.950 4.970 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.433 7.233 5.173 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.675 7.545 2.829 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.952 7.349 3.085 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.508 9.651 2.775 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.167 10.116 3.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 5.653 10.262 0.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.834 9.070 1.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.227 8.619 0.698 1.00 0.00 H new ATOM 1049 N MET A 67 2.477 8.833 7.489 1.00 0.00 N ATOM 1050 CA MET A 67 1.310 9.528 8.017 1.00 0.00 C ATOM 1051 C MET A 67 1.475 9.815 9.507 1.00 0.00 C ATOM 1052 O MET A 67 1.141 10.901 9.980 1.00 0.00 O ATOM 1053 CB MET A 67 0.046 8.698 7.783 1.00 0.00 C ATOM 1054 CG MET A 67 -1.209 9.322 8.373 1.00 0.00 C ATOM 1055 SD MET A 67 -1.400 11.057 7.921 1.00 0.00 S ATOM 1056 CE MET A 67 -2.494 10.920 6.509 1.00 0.00 C ATOM 0 H MET A 67 2.268 7.946 7.031 1.00 0.00 H new ATOM 0 HA MET A 67 1.215 10.478 7.490 1.00 0.00 H new ATOM 0 HB2 MET A 67 -0.096 8.561 6.711 1.00 0.00 H new ATOM 0 HB3 MET A 67 0.187 7.707 8.215 1.00 0.00 H new ATOM 0 HG2 MET A 67 -2.082 8.764 8.034 1.00 0.00 H new ATOM 0 HG3 MET A 67 -1.177 9.235 9.459 1.00 0.00 H new ATOM 0 HE1 MET A 67 -3.090 11.829 6.421 1.00 0.00 H new ATOM 0 HE2 MET A 67 -1.903 10.784 5.603 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.156 10.064 6.643 1.00 0.00 H new ATOM 1066 N ASP A 68 1.991 8.834 10.239 1.00 0.00 N ATOM 1067 CA ASP A 68 2.202 8.982 11.675 1.00 0.00 C ATOM 1068 C ASP A 68 2.995 10.249 11.980 1.00 0.00 C ATOM 1069 O ASP A 68 2.714 10.950 12.952 1.00 0.00 O ATOM 1070 CB ASP A 68 2.934 7.760 12.233 1.00 0.00 C ATOM 1071 CG ASP A 68 1.986 6.633 12.594 1.00 0.00 C ATOM 1072 OD1 ASP A 68 0.888 6.924 13.111 1.00 0.00 O ATOM 1073 OD2 ASP A 68 2.344 5.459 12.360 1.00 0.00 O ATOM 0 H ASP A 68 2.271 7.928 9.862 1.00 0.00 H new ATOM 0 HA ASP A 68 1.226 9.062 12.155 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.654 7.404 11.496 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.501 8.052 13.117 1.00 0.00 H new ATOM 1078 N GLY A 69 3.988 10.536 11.144 1.00 0.00 N ATOM 1079 CA GLY A 69 4.807 11.717 11.343 1.00 0.00 C ATOM 1080 C GLY A 69 4.409 12.859 10.429 1.00 0.00 C ATOM 1081 O GLY A 69 5.233 13.709 10.091 1.00 0.00 O ATOM 0 H GLY A 69 4.240 9.972 10.333 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.726 12.041 12.381 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.853 11.464 11.169 1.00 0.00 H new ATOM 1085 N ARG A 70 3.142 12.879 10.027 1.00 0.00 N ATOM 1086 CA ARG A 70 2.637 13.923 9.144 1.00 0.00 C ATOM 1087 C ARG A 70 3.604 14.174 7.990 1.00 0.00 C ATOM 1088 O ARG A 70 3.867 15.320 7.626 1.00 0.00 O ATOM 1089 CB ARG A 70 2.414 15.218 9.927 1.00 0.00 C ATOM 1090 CG ARG A 70 1.588 15.033 11.189 1.00 0.00 C ATOM 1091 CD ARG A 70 0.123 14.784 10.864 1.00 0.00 C ATOM 1092 NE ARG A 70 -0.736 14.977 12.029 1.00 0.00 N ATOM 1093 CZ ARG A 70 -0.805 14.120 13.042 1.00 0.00 C ATOM 1094 NH1 ARG A 70 -0.069 13.017 13.032 1.00 0.00 N ATOM 1095 NH2 ARG A 70 -1.611 14.366 14.067 1.00 0.00 N ATOM 0 H ARG A 70 2.447 12.184 10.299 1.00 0.00 H new ATOM 0 HA ARG A 70 1.686 13.587 8.732 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.382 15.641 10.195 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.917 15.942 9.281 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.982 14.195 11.764 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.677 15.920 11.817 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.191 15.457 10.066 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.002 13.768 10.489 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.315 15.816 12.067 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.552 12.825 12.246 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.123 12.360 13.811 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -2.178 15.214 14.078 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.663 13.707 14.844 1.00 0.00 H new ATOM 1109 N GLU A 71 4.129 13.094 7.419 1.00 0.00 N ATOM 1110 CA GLU A 71 5.067 13.198 6.308 1.00 0.00 C ATOM 1111 C GLU A 71 4.337 13.523 5.008 1.00 0.00 C ATOM 1112 O GLU A 71 4.825 14.299 4.186 1.00 0.00 O ATOM 1113 CB GLU A 71 5.854 11.895 6.152 1.00 0.00 C ATOM 1114 CG GLU A 71 6.867 11.659 7.259 1.00 0.00 C ATOM 1115 CD GLU A 71 8.006 10.756 6.825 1.00 0.00 C ATOM 1116 OE1 GLU A 71 8.658 11.071 5.808 1.00 0.00 O ATOM 1117 OE2 GLU A 71 8.244 9.735 7.504 1.00 0.00 O ATOM 0 H GLU A 71 3.921 12.138 7.707 1.00 0.00 H new ATOM 0 HA GLU A 71 5.761 14.009 6.527 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.155 11.059 6.127 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.372 11.906 5.193 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.272 12.617 7.586 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.364 11.216 8.118 1.00 0.00 H new ATOM 1124 N TYR A 72 3.165 12.924 4.829 1.00 0.00 N ATOM 1125 CA TYR A 72 2.368 13.147 3.629 1.00 0.00 C ATOM 1126 C TYR A 72 1.955 14.611 3.513 1.00 0.00 C ATOM 1127 O TYR A 72 1.341 15.183 4.414 1.00 0.00 O ATOM 1128 CB TYR A 72 1.125 12.255 3.643 1.00 0.00 C ATOM 1129 CG TYR A 72 1.424 10.797 3.373 1.00 0.00 C ATOM 1130 CD1 TYR A 72 2.060 10.404 2.202 1.00 0.00 C ATOM 1131 CD2 TYR A 72 1.069 9.814 4.288 1.00 0.00 C ATOM 1132 CE1 TYR A 72 2.334 9.073 1.951 1.00 0.00 C ATOM 1133 CE2 TYR A 72 1.340 8.481 4.046 1.00 0.00 C ATOM 1134 CZ TYR A 72 1.972 8.116 2.876 1.00 0.00 C ATOM 1135 OH TYR A 72 2.243 6.789 2.630 1.00 0.00 O ATOM 0 H TYR A 72 2.746 12.280 5.500 1.00 0.00 H new ATOM 0 HA TYR A 72 2.981 12.891 2.765 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.635 12.343 4.613 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.419 12.617 2.895 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.345 11.151 1.476 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.573 10.097 5.205 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.829 8.784 1.036 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.059 7.729 4.769 1.00 0.00 H new ATOM 0 HH TYR A 72 3.049 6.717 2.078 1.00 0.00 H new ATOM 1145 N PRO A 73 2.299 15.234 2.376 1.00 0.00 N ATOM 1146 CA PRO A 73 1.973 16.639 2.113 1.00 0.00 C ATOM 1147 C PRO A 73 0.480 16.857 1.896 1.00 0.00 C ATOM 1148 O PRO A 73 -0.095 17.825 2.396 1.00 0.00 O ATOM 1149 CB PRO A 73 2.751 16.949 0.831 1.00 0.00 C ATOM 1150 CG PRO A 73 2.911 15.630 0.157 1.00 0.00 C ATOM 1151 CD PRO A 73 3.031 14.614 1.259 1.00 0.00 C ATOM 0 HA PRO A 73 2.234 17.282 2.953 1.00 0.00 H new ATOM 0 HB2 PRO A 73 2.209 17.653 0.200 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.718 17.400 1.054 1.00 0.00 H new ATOM 0 HG2 PRO A 73 2.056 15.412 -0.483 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.796 15.622 -0.480 1.00 0.00 H new ATOM 0 HD2 PRO A 73 2.593 13.658 0.973 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.072 14.423 1.518 1.00 0.00 H new ATOM 1159 N ASP A 74 -0.143 15.953 1.149 1.00 0.00 N ATOM 1160 CA ASP A 74 -1.571 16.046 0.867 1.00 0.00 C ATOM 1161 C ASP A 74 -2.160 14.668 0.585 1.00 0.00 C ATOM 1162 O ASP A 74 -1.430 13.690 0.424 1.00 0.00 O ATOM 1163 CB ASP A 74 -1.818 16.974 -0.323 1.00 0.00 C ATOM 1164 CG ASP A 74 -1.488 18.420 -0.008 1.00 0.00 C ATOM 1165 OD1 ASP A 74 -2.302 19.080 0.671 1.00 0.00 O ATOM 1166 OD2 ASP A 74 -0.416 18.892 -0.442 1.00 0.00 O ATOM 0 H ASP A 74 0.318 15.147 0.727 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.064 16.458 1.747 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.216 16.643 -1.169 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.862 16.901 -0.627 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.486 14.597 0.526 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.174 13.339 0.262 1.00 0.00 C ATOM 1173 C ALA A 75 -3.555 12.615 -0.929 1.00 0.00 C ATOM 1174 O ALA A 75 -3.373 11.399 -0.900 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.655 13.588 0.020 1.00 0.00 C ATOM 0 H ALA A 75 -4.106 15.397 0.658 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.063 12.701 1.139 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.156 12.640 -0.176 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.094 14.055 0.901 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.777 14.247 -0.839 1.00 0.00 H new ATOM 1181 N GLN A 76 -3.236 13.371 -1.974 1.00 0.00 N ATOM 1182 CA GLN A 76 -2.639 12.800 -3.176 1.00 0.00 C ATOM 1183 C GLN A 76 -1.429 11.940 -2.826 1.00 0.00 C ATOM 1184 O GLN A 76 -1.264 10.840 -3.351 1.00 0.00 O ATOM 1185 CB GLN A 76 -2.229 13.910 -4.144 1.00 0.00 C ATOM 1186 CG GLN A 76 -3.403 14.710 -4.685 1.00 0.00 C ATOM 1187 CD GLN A 76 -4.277 13.902 -5.624 1.00 0.00 C ATOM 1188 OE1 GLN A 76 -3.817 13.423 -6.661 1.00 0.00 O ATOM 1189 NE2 GLN A 76 -5.545 13.745 -5.264 1.00 0.00 N ATOM 0 H GLN A 76 -3.381 14.380 -2.013 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.385 12.167 -3.657 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.542 14.587 -3.637 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -1.685 13.469 -4.979 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.007 15.070 -3.852 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.028 15.589 -5.210 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -5.884 14.160 -4.396 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.181 13.210 -5.856 1.00 0.00 H new ATOM 1198 N GLY A 77 -0.583 12.451 -1.936 1.00 0.00 N ATOM 1199 CA GLY A 77 0.602 11.717 -1.532 1.00 0.00 C ATOM 1200 C GLY A 77 0.267 10.437 -0.793 1.00 0.00 C ATOM 1201 O GLY A 77 0.790 9.370 -1.116 1.00 0.00 O ATOM 0 H GLY A 77 -0.697 13.360 -1.488 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.196 11.479 -2.414 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.218 12.351 -0.894 1.00 0.00 H new ATOM 1205 N PHE A 78 -0.606 10.542 0.203 1.00 0.00 N ATOM 1206 CA PHE A 78 -1.008 9.384 0.993 1.00 0.00 C ATOM 1207 C PHE A 78 -1.517 8.262 0.093 1.00 0.00 C ATOM 1208 O PHE A 78 -1.132 7.104 0.248 1.00 0.00 O ATOM 1209 CB PHE A 78 -2.091 9.777 1.999 1.00 0.00 C ATOM 1210 CG PHE A 78 -2.817 8.601 2.589 1.00 0.00 C ATOM 1211 CD1 PHE A 78 -2.347 7.985 3.737 1.00 0.00 C ATOM 1212 CD2 PHE A 78 -3.969 8.113 1.994 1.00 0.00 C ATOM 1213 CE1 PHE A 78 -3.013 6.903 4.281 1.00 0.00 C ATOM 1214 CE2 PHE A 78 -4.640 7.031 2.534 1.00 0.00 C ATOM 1215 CZ PHE A 78 -4.161 6.426 3.679 1.00 0.00 C ATOM 0 H PHE A 78 -1.049 11.417 0.482 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.133 9.024 1.534 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.636 10.354 2.804 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.812 10.430 1.508 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.450 8.354 4.212 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.347 8.583 1.098 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.636 6.431 5.176 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.537 6.660 2.061 1.00 0.00 H new ATOM 0 HZ PHE A 78 -4.683 5.581 4.103 1.00 0.00 H new ATOM 1225 N ALA A 79 -2.386 8.615 -0.849 1.00 0.00 N ATOM 1226 CA ALA A 79 -2.947 7.640 -1.775 1.00 0.00 C ATOM 1227 C ALA A 79 -1.904 7.182 -2.789 1.00 0.00 C ATOM 1228 O ALA A 79 -1.797 5.993 -3.090 1.00 0.00 O ATOM 1229 CB ALA A 79 -4.157 8.225 -2.488 1.00 0.00 C ATOM 0 H ALA A 79 -2.716 9.570 -0.990 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.263 6.770 -1.200 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.566 7.486 -3.177 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.916 8.496 -1.754 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.857 9.113 -3.045 1.00 0.00 H new ATOM 1235 N ALA A 80 -1.137 8.132 -3.312 1.00 0.00 N ATOM 1236 CA ALA A 80 -0.101 7.826 -4.291 1.00 0.00 C ATOM 1237 C ALA A 80 0.608 6.520 -3.949 1.00 0.00 C ATOM 1238 O ALA A 80 0.617 5.580 -4.745 1.00 0.00 O ATOM 1239 CB ALA A 80 0.902 8.967 -4.374 1.00 0.00 C ATOM 0 H ALA A 80 -1.213 9.121 -3.074 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.579 7.707 -5.263 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.669 8.724 -5.109 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.389 9.881 -4.673 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.367 9.114 -3.399 1.00 0.00 H new ATOM 1245 N ASP A 81 1.202 6.468 -2.762 1.00 0.00 N ATOM 1246 CA ASP A 81 1.914 5.276 -2.314 1.00 0.00 C ATOM 1247 C ASP A 81 0.989 4.063 -2.303 1.00 0.00 C ATOM 1248 O ASP A 81 1.241 3.071 -2.987 1.00 0.00 O ATOM 1249 CB ASP A 81 2.499 5.500 -0.919 1.00 0.00 C ATOM 1250 CG ASP A 81 3.666 6.469 -0.929 1.00 0.00 C ATOM 1251 OD1 ASP A 81 3.651 7.405 -1.755 1.00 0.00 O ATOM 1252 OD2 ASP A 81 4.593 6.290 -0.112 1.00 0.00 O ATOM 0 H ASP A 81 1.205 7.237 -2.092 1.00 0.00 H new ATOM 0 HA ASP A 81 2.727 5.084 -3.014 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.720 5.881 -0.258 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.827 4.545 -0.508 1.00 0.00 H new ATOM 1257 N VAL A 82 -0.082 4.149 -1.520 1.00 0.00 N ATOM 1258 CA VAL A 82 -1.044 3.059 -1.419 1.00 0.00 C ATOM 1259 C VAL A 82 -1.283 2.409 -2.778 1.00 0.00 C ATOM 1260 O VAL A 82 -1.232 1.186 -2.910 1.00 0.00 O ATOM 1261 CB VAL A 82 -2.390 3.549 -0.853 1.00 0.00 C ATOM 1262 CG1 VAL A 82 -3.398 2.410 -0.809 1.00 0.00 C ATOM 1263 CG2 VAL A 82 -2.198 4.154 0.529 1.00 0.00 C ATOM 0 H VAL A 82 -0.305 4.963 -0.947 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.618 2.323 -0.737 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.781 4.323 -1.513 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.343 2.775 -0.406 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.557 2.026 -1.817 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.017 1.611 -0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.159 4.495 0.914 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -1.784 3.402 1.201 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.513 4.999 0.464 1.00 0.00 H new ATOM 1273 N ARG A 83 -1.544 3.236 -3.785 1.00 0.00 N ATOM 1274 CA ARG A 83 -1.792 2.742 -5.134 1.00 0.00 C ATOM 1275 C ARG A 83 -0.689 1.784 -5.573 1.00 0.00 C ATOM 1276 O ARG A 83 -0.945 0.612 -5.856 1.00 0.00 O ATOM 1277 CB ARG A 83 -1.890 3.909 -6.118 1.00 0.00 C ATOM 1278 CG ARG A 83 -3.243 4.600 -6.111 1.00 0.00 C ATOM 1279 CD ARG A 83 -3.336 5.655 -7.202 1.00 0.00 C ATOM 1280 NE ARG A 83 -2.892 6.966 -6.736 1.00 0.00 N ATOM 1281 CZ ARG A 83 -3.646 7.780 -6.006 1.00 0.00 C ATOM 1282 NH1 ARG A 83 -4.874 7.421 -5.661 1.00 0.00 N ATOM 1283 NH2 ARG A 83 -3.170 8.957 -5.620 1.00 0.00 N ATOM 0 H ARG A 83 -1.589 4.251 -3.692 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.738 2.201 -5.127 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.117 4.640 -5.880 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.684 3.543 -7.124 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.031 3.860 -6.251 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.410 5.064 -5.139 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.730 5.349 -8.055 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -4.366 5.725 -7.552 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.952 7.273 -6.985 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.243 6.517 -5.956 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.450 8.049 -5.100 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -2.225 9.236 -5.884 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.749 9.582 -5.059 1.00 0.00 H new ATOM 1297 N LEU A 84 0.539 2.289 -5.629 1.00 0.00 N ATOM 1298 CA LEU A 84 1.682 1.478 -6.034 1.00 0.00 C ATOM 1299 C LEU A 84 1.603 0.082 -5.424 1.00 0.00 C ATOM 1300 O LEU A 84 1.747 -0.920 -6.124 1.00 0.00 O ATOM 1301 CB LEU A 84 2.987 2.157 -5.616 1.00 0.00 C ATOM 1302 CG LEU A 84 4.253 1.307 -5.734 1.00 0.00 C ATOM 1303 CD1 LEU A 84 4.743 1.277 -7.174 1.00 0.00 C ATOM 1304 CD2 LEU A 84 5.340 1.838 -4.811 1.00 0.00 C ATOM 0 H LEU A 84 0.768 3.256 -5.399 1.00 0.00 H new ATOM 0 HA LEU A 84 1.661 1.381 -7.119 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.117 3.053 -6.222 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.888 2.484 -4.581 1.00 0.00 H new ATOM 0 HG LEU A 84 4.013 0.288 -5.431 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.644 0.668 -7.239 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.970 0.850 -7.813 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.966 2.292 -7.504 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.233 1.221 -4.908 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.578 2.866 -5.083 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.989 1.808 -3.780 1.00 0.00 H new ATOM 1316 N MET A 85 1.371 0.025 -4.117 1.00 0.00 N ATOM 1317 CA MET A 85 1.270 -1.249 -3.414 1.00 0.00 C ATOM 1318 C MET A 85 0.403 -2.232 -4.194 1.00 0.00 C ATOM 1319 O MET A 85 0.868 -3.297 -4.601 1.00 0.00 O ATOM 1320 CB MET A 85 0.690 -1.038 -2.014 1.00 0.00 C ATOM 1321 CG MET A 85 0.680 -2.298 -1.165 1.00 0.00 C ATOM 1322 SD MET A 85 0.061 -2.007 0.504 1.00 0.00 S ATOM 1323 CE MET A 85 -1.646 -1.586 0.162 1.00 0.00 C ATOM 0 H MET A 85 1.249 0.845 -3.523 1.00 0.00 H new ATOM 0 HA MET A 85 2.272 -1.668 -3.325 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.269 -0.269 -1.502 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.329 -0.663 -2.105 1.00 0.00 H new ATOM 0 HG2 MET A 85 0.063 -3.054 -1.651 1.00 0.00 H new ATOM 0 HG3 MET A 85 1.691 -2.701 -1.108 1.00 0.00 H new ATOM 0 HE1 MET A 85 -2.233 -1.673 1.077 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.701 -0.562 -0.208 1.00 0.00 H new ATOM 0 HE3 MET A 85 -2.045 -2.266 -0.591 1.00 0.00 H new ATOM 1333 N PHE A 86 -0.859 -1.869 -4.398 1.00 0.00 N ATOM 1334 CA PHE A 86 -1.791 -2.721 -5.128 1.00 0.00 C ATOM 1335 C PHE A 86 -1.343 -2.903 -6.575 1.00 0.00 C ATOM 1336 O PHE A 86 -1.836 -3.780 -7.283 1.00 0.00 O ATOM 1337 CB PHE A 86 -3.199 -2.122 -5.089 1.00 0.00 C ATOM 1338 CG PHE A 86 -3.808 -2.109 -3.716 1.00 0.00 C ATOM 1339 CD1 PHE A 86 -4.285 -3.277 -3.144 1.00 0.00 C ATOM 1340 CD2 PHE A 86 -3.903 -0.928 -2.998 1.00 0.00 C ATOM 1341 CE1 PHE A 86 -4.845 -3.268 -1.880 1.00 0.00 C ATOM 1342 CE2 PHE A 86 -4.462 -0.913 -1.734 1.00 0.00 C ATOM 1343 CZ PHE A 86 -4.935 -2.085 -1.175 1.00 0.00 C ATOM 0 H PHE A 86 -1.260 -0.991 -4.068 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.806 -3.698 -4.646 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -3.162 -1.102 -5.471 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.845 -2.689 -5.759 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.219 -4.205 -3.692 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.536 -0.009 -3.431 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -5.212 -4.186 -1.445 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -4.529 0.014 -1.184 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.374 -2.075 -0.188 1.00 0.00 H new ATOM 1353 N SER A 87 -0.405 -2.066 -7.007 1.00 0.00 N ATOM 1354 CA SER A 87 0.107 -2.130 -8.371 1.00 0.00 C ATOM 1355 C SER A 87 1.147 -3.238 -8.508 1.00 0.00 C ATOM 1356 O SER A 87 1.042 -4.097 -9.383 1.00 0.00 O ATOM 1357 CB SER A 87 0.721 -0.787 -8.772 1.00 0.00 C ATOM 1358 OG SER A 87 0.739 -0.636 -10.181 1.00 0.00 O ATOM 0 H SER A 87 0.016 -1.336 -6.432 1.00 0.00 H new ATOM 0 HA SER A 87 -0.727 -2.353 -9.036 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.150 0.026 -8.323 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.737 -0.717 -8.382 1.00 0.00 H new ATOM 0 HG SER A 87 1.134 0.230 -10.412 1.00 0.00 H new ATOM 1364 N ASN A 88 2.151 -3.211 -7.638 1.00 0.00 N ATOM 1365 CA ASN A 88 3.211 -4.212 -7.662 1.00 0.00 C ATOM 1366 C ASN A 88 2.666 -5.590 -7.299 1.00 0.00 C ATOM 1367 O ASN A 88 3.169 -6.611 -7.768 1.00 0.00 O ATOM 1368 CB ASN A 88 4.330 -3.823 -6.694 1.00 0.00 C ATOM 1369 CG ASN A 88 3.838 -3.683 -5.266 1.00 0.00 C ATOM 1370 OD1 ASN A 88 3.064 -4.509 -4.781 1.00 0.00 O ATOM 1371 ND2 ASN A 88 4.286 -2.635 -4.586 1.00 0.00 N ATOM 0 H ASN A 88 2.253 -2.507 -6.907 1.00 0.00 H new ATOM 0 HA ASN A 88 3.613 -4.255 -8.674 1.00 0.00 H new ATOM 0 HB2 ASN A 88 5.117 -4.576 -6.732 1.00 0.00 H new ATOM 0 HB3 ASN A 88 4.774 -2.881 -7.016 1.00 0.00 H new ATOM 0 HD21 ASN A 88 3.990 -2.489 -3.621 1.00 0.00 H new ATOM 0 HD22 ASN A 88 4.926 -1.976 -5.028 1.00 0.00 H new ATOM 1378 N CYS A 89 1.635 -5.610 -6.461 1.00 0.00 N ATOM 1379 CA CYS A 89 1.021 -6.863 -6.035 1.00 0.00 C ATOM 1380 C CYS A 89 0.817 -7.800 -7.221 1.00 0.00 C ATOM 1381 O CYS A 89 1.309 -8.929 -7.225 1.00 0.00 O ATOM 1382 CB CYS A 89 -0.318 -6.591 -5.347 1.00 0.00 C ATOM 1383 SG CYS A 89 -1.329 -8.067 -5.089 1.00 0.00 S ATOM 0 H CYS A 89 1.207 -4.774 -6.063 1.00 0.00 H new ATOM 0 HA CYS A 89 1.694 -7.346 -5.326 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -0.129 -6.120 -4.382 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.883 -5.877 -5.946 1.00 0.00 H new ATOM 0 HG CYS A 89 -2.216 -8.156 -6.035 1.00 0.00 H new ATOM 1389 N TYR A 90 0.087 -7.325 -8.224 1.00 0.00 N ATOM 1390 CA TYR A 90 -0.186 -8.122 -9.414 1.00 0.00 C ATOM 1391 C TYR A 90 1.007 -8.108 -10.365 1.00 0.00 C ATOM 1392 O TYR A 90 1.327 -9.116 -10.994 1.00 0.00 O ATOM 1393 CB TYR A 90 -1.430 -7.595 -10.131 1.00 0.00 C ATOM 1394 CG TYR A 90 -2.561 -7.233 -9.195 1.00 0.00 C ATOM 1395 CD1 TYR A 90 -3.078 -8.166 -8.305 1.00 0.00 C ATOM 1396 CD2 TYR A 90 -3.112 -5.957 -9.201 1.00 0.00 C ATOM 1397 CE1 TYR A 90 -4.112 -7.840 -7.449 1.00 0.00 C ATOM 1398 CE2 TYR A 90 -4.145 -5.622 -8.347 1.00 0.00 C ATOM 1399 CZ TYR A 90 -4.642 -6.567 -7.473 1.00 0.00 C ATOM 1400 OH TYR A 90 -5.671 -6.237 -6.621 1.00 0.00 O ATOM 0 H TYR A 90 -0.326 -6.392 -8.237 1.00 0.00 H new ATOM 0 HA TYR A 90 -0.364 -9.150 -9.099 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.157 -6.716 -10.715 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.780 -8.350 -10.835 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.664 -9.163 -8.282 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.726 -5.215 -9.885 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -4.503 -8.578 -6.765 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -4.561 -4.626 -8.363 1.00 0.00 H new ATOM 0 HH TYR A 90 -5.928 -5.302 -6.765 1.00 0.00 H new ATOM 1410 N LYS A 91 1.662 -6.956 -10.464 1.00 0.00 N ATOM 1411 CA LYS A 91 2.822 -6.808 -11.335 1.00 0.00 C ATOM 1412 C LYS A 91 3.787 -7.976 -11.160 1.00 0.00 C ATOM 1413 O LYS A 91 4.412 -8.427 -12.120 1.00 0.00 O ATOM 1414 CB LYS A 91 3.541 -5.489 -11.041 1.00 0.00 C ATOM 1415 CG LYS A 91 4.306 -4.935 -12.231 1.00 0.00 C ATOM 1416 CD LYS A 91 5.674 -5.583 -12.365 1.00 0.00 C ATOM 1417 CE LYS A 91 6.125 -5.637 -13.817 1.00 0.00 C ATOM 1418 NZ LYS A 91 6.778 -4.368 -14.241 1.00 0.00 N ATOM 0 H LYS A 91 1.409 -6.111 -9.952 1.00 0.00 H new ATOM 0 HA LYS A 91 2.472 -6.802 -12.367 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.809 -4.751 -10.715 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.233 -5.639 -10.213 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.733 -5.102 -13.143 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.422 -3.857 -12.120 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.402 -5.024 -11.777 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.641 -6.592 -11.955 1.00 0.00 H new ATOM 0 HE2 LYS A 91 6.820 -6.466 -13.951 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.265 -5.835 -14.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.071 -4.444 -15.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.107 -3.581 -14.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.613 -4.192 -13.647 1.00 0.00 H new ATOM 1432 N TYR A 92 3.903 -8.461 -9.929 1.00 0.00 N ATOM 1433 CA TYR A 92 4.793 -9.577 -9.628 1.00 0.00 C ATOM 1434 C TYR A 92 4.025 -10.894 -9.599 1.00 0.00 C ATOM 1435 O TYR A 92 4.241 -11.770 -10.435 1.00 0.00 O ATOM 1436 CB TYR A 92 5.492 -9.351 -8.286 1.00 0.00 C ATOM 1437 CG TYR A 92 6.631 -10.311 -8.027 1.00 0.00 C ATOM 1438 CD1 TYR A 92 7.907 -10.052 -8.511 1.00 0.00 C ATOM 1439 CD2 TYR A 92 6.430 -11.478 -7.300 1.00 0.00 C ATOM 1440 CE1 TYR A 92 8.951 -10.927 -8.277 1.00 0.00 C ATOM 1441 CE2 TYR A 92 7.468 -12.358 -7.061 1.00 0.00 C ATOM 1442 CZ TYR A 92 8.726 -12.078 -7.552 1.00 0.00 C ATOM 1443 OH TYR A 92 9.762 -12.953 -7.317 1.00 0.00 O ATOM 0 H TYR A 92 3.392 -8.099 -9.123 1.00 0.00 H new ATOM 0 HA TYR A 92 5.544 -9.633 -10.416 1.00 0.00 H new ATOM 0 HB2 TYR A 92 5.873 -8.330 -8.252 1.00 0.00 H new ATOM 0 HB3 TYR A 92 4.760 -9.445 -7.484 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.086 -9.152 -9.080 1.00 0.00 H new ATOM 0 HD2 TYR A 92 5.446 -11.701 -6.915 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.937 -10.710 -8.660 1.00 0.00 H new ATOM 0 HE2 TYR A 92 7.295 -13.260 -6.493 1.00 0.00 H new ATOM 0 HH TYR A 92 9.436 -13.713 -6.791 1.00 0.00 H new ATOM 1453 N ASN A 93 3.126 -11.026 -8.629 1.00 0.00 N ATOM 1454 CA ASN A 93 2.324 -12.237 -8.489 1.00 0.00 C ATOM 1455 C ASN A 93 1.484 -12.479 -9.739 1.00 0.00 C ATOM 1456 O ASN A 93 0.937 -11.554 -10.339 1.00 0.00 O ATOM 1457 CB ASN A 93 1.416 -12.133 -7.262 1.00 0.00 C ATOM 1458 CG ASN A 93 2.197 -11.903 -5.983 1.00 0.00 C ATOM 1459 OD1 ASN A 93 3.236 -12.524 -5.757 1.00 0.00 O ATOM 1460 ND2 ASN A 93 1.698 -11.008 -5.138 1.00 0.00 N ATOM 0 H ASN A 93 2.934 -10.310 -7.928 1.00 0.00 H new ATOM 0 HA ASN A 93 3.002 -13.080 -8.360 1.00 0.00 H new ATOM 0 HB2 ASN A 93 0.709 -11.316 -7.405 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.831 -13.048 -7.168 1.00 0.00 H new ATOM 0 HD21 ASN A 93 2.179 -10.812 -4.260 1.00 0.00 H new ATOM 0 HD22 ASN A 93 0.834 -10.517 -5.367 1.00 0.00 H new ATOM 1467 N PRO A 94 1.376 -13.754 -10.141 1.00 0.00 N ATOM 1468 CA PRO A 94 0.603 -14.149 -11.322 1.00 0.00 C ATOM 1469 C PRO A 94 -0.899 -13.986 -11.113 1.00 0.00 C ATOM 1470 O PRO A 94 -1.378 -13.799 -9.994 1.00 0.00 O ATOM 1471 CB PRO A 94 0.960 -15.627 -11.502 1.00 0.00 C ATOM 1472 CG PRO A 94 1.353 -16.090 -10.142 1.00 0.00 C ATOM 1473 CD PRO A 94 2.001 -14.909 -9.474 1.00 0.00 C ATOM 0 HA PRO A 94 0.838 -13.531 -12.188 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.112 -16.195 -11.884 1.00 0.00 H new ATOM 0 HB3 PRO A 94 1.775 -15.753 -12.214 1.00 0.00 H new ATOM 0 HG2 PRO A 94 0.483 -16.428 -9.579 1.00 0.00 H new ATOM 0 HG3 PRO A 94 2.043 -16.932 -10.201 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.814 -14.902 -8.400 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.083 -14.914 -9.609 1.00 0.00 H new ATOM 1481 N PRO A 95 -1.662 -14.057 -12.214 1.00 0.00 N ATOM 1482 CA PRO A 95 -3.121 -13.921 -12.176 1.00 0.00 C ATOM 1483 C PRO A 95 -3.798 -15.114 -11.511 1.00 0.00 C ATOM 1484 O PRO A 95 -5.021 -15.150 -11.374 1.00 0.00 O ATOM 1485 CB PRO A 95 -3.508 -13.843 -13.655 1.00 0.00 C ATOM 1486 CG PRO A 95 -2.409 -14.546 -14.373 1.00 0.00 C ATOM 1487 CD PRO A 95 -1.159 -14.277 -13.580 1.00 0.00 C ATOM 0 HA PRO A 95 -3.434 -13.055 -11.592 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.470 -14.322 -13.838 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.599 -12.809 -13.986 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.607 -15.616 -14.439 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -2.311 -14.177 -15.394 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.467 -15.118 -13.623 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -0.624 -13.405 -13.957 1.00 0.00 H new ATOM 1495 N ASP A 96 -2.995 -16.089 -11.098 1.00 0.00 N ATOM 1496 CA ASP A 96 -3.517 -17.284 -10.445 1.00 0.00 C ATOM 1497 C ASP A 96 -3.369 -17.184 -8.930 1.00 0.00 C ATOM 1498 O ASP A 96 -4.262 -17.581 -8.181 1.00 0.00 O ATOM 1499 CB ASP A 96 -2.794 -18.530 -10.960 1.00 0.00 C ATOM 1500 CG ASP A 96 -3.139 -18.846 -12.401 1.00 0.00 C ATOM 1501 OD1 ASP A 96 -4.345 -18.934 -12.717 1.00 0.00 O ATOM 1502 OD2 ASP A 96 -2.205 -19.004 -13.214 1.00 0.00 O ATOM 0 H ASP A 96 -1.981 -16.075 -11.204 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.577 -17.365 -10.684 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -1.717 -18.384 -10.871 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -3.053 -19.382 -10.332 1.00 0.00 H new ATOM 1507 N HIS A 97 -2.235 -16.652 -8.485 1.00 0.00 N ATOM 1508 CA HIS A 97 -1.970 -16.500 -7.059 1.00 0.00 C ATOM 1509 C HIS A 97 -3.252 -16.170 -6.300 1.00 0.00 C ATOM 1510 O HIS A 97 -3.856 -15.120 -6.512 1.00 0.00 O ATOM 1511 CB HIS A 97 -0.929 -15.404 -6.826 1.00 0.00 C ATOM 1512 CG HIS A 97 -0.101 -15.616 -5.597 1.00 0.00 C ATOM 1513 ND1 HIS A 97 -0.608 -16.150 -4.431 1.00 0.00 N ATOM 1514 CD2 HIS A 97 1.207 -15.363 -5.356 1.00 0.00 C ATOM 1515 CE1 HIS A 97 0.352 -16.216 -3.526 1.00 0.00 C ATOM 1516 NE2 HIS A 97 1.464 -15.744 -4.062 1.00 0.00 N ATOM 0 H HIS A 97 -1.485 -16.319 -9.091 1.00 0.00 H new ATOM 0 HA HIS A 97 -1.580 -17.446 -6.684 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -0.270 -15.350 -7.693 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -1.437 -14.442 -6.751 1.00 0.00 H new ATOM 0 HD2 HIS A 97 1.916 -14.940 -6.052 1.00 0.00 H new ATOM 0 HE1 HIS A 97 0.246 -16.592 -2.519 1.00 0.00 H new ATOM 0 HE2 HIS A 97 2.366 -15.674 -3.591 1.00 0.00 H new ATOM 1524 N GLU A 98 -3.660 -17.076 -5.416 1.00 0.00 N ATOM 1525 CA GLU A 98 -4.870 -16.880 -4.627 1.00 0.00 C ATOM 1526 C GLU A 98 -4.854 -15.522 -3.932 1.00 0.00 C ATOM 1527 O GLU A 98 -5.823 -14.766 -3.998 1.00 0.00 O ATOM 1528 CB GLU A 98 -5.015 -17.996 -3.590 1.00 0.00 C ATOM 1529 CG GLU A 98 -4.334 -17.688 -2.267 1.00 0.00 C ATOM 1530 CD GLU A 98 -4.583 -18.756 -1.220 1.00 0.00 C ATOM 1531 OE1 GLU A 98 -5.715 -18.822 -0.697 1.00 0.00 O ATOM 1532 OE2 GLU A 98 -3.646 -19.526 -0.924 1.00 0.00 O ATOM 0 H GLU A 98 -3.171 -17.951 -5.229 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.723 -16.910 -5.304 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.074 -18.178 -3.410 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.598 -18.917 -3.998 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.261 -17.587 -2.430 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.691 -16.728 -1.894 1.00 0.00 H new ATOM 1539 N VAL A 99 -3.745 -15.220 -3.263 1.00 0.00 N ATOM 1540 CA VAL A 99 -3.601 -13.953 -2.556 1.00 0.00 C ATOM 1541 C VAL A 99 -4.154 -12.797 -3.380 1.00 0.00 C ATOM 1542 O VAL A 99 -4.762 -11.871 -2.842 1.00 0.00 O ATOM 1543 CB VAL A 99 -2.127 -13.667 -2.214 1.00 0.00 C ATOM 1544 CG1 VAL A 99 -1.417 -13.033 -3.401 1.00 0.00 C ATOM 1545 CG2 VAL A 99 -2.029 -12.774 -0.985 1.00 0.00 C ATOM 0 H VAL A 99 -2.934 -15.835 -3.196 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.171 -14.040 -1.631 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.634 -14.613 -1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.377 -12.838 -3.141 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.457 -13.711 -4.253 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.908 -12.095 -3.660 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.980 -12.582 -0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.537 -11.829 -1.180 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.499 -13.270 -0.136 1.00 0.00 H new ATOM 1555 N VAL A 100 -3.940 -12.856 -4.691 1.00 0.00 N ATOM 1556 CA VAL A 100 -4.419 -11.814 -5.591 1.00 0.00 C ATOM 1557 C VAL A 100 -5.905 -11.546 -5.381 1.00 0.00 C ATOM 1558 O VAL A 100 -6.334 -10.395 -5.302 1.00 0.00 O ATOM 1559 CB VAL A 100 -4.180 -12.192 -7.065 1.00 0.00 C ATOM 1560 CG1 VAL A 100 -4.880 -11.208 -7.989 1.00 0.00 C ATOM 1561 CG2 VAL A 100 -2.690 -12.250 -7.365 1.00 0.00 C ATOM 0 H VAL A 100 -3.438 -13.614 -5.153 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.854 -10.911 -5.359 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.602 -13.182 -7.241 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.700 -11.491 -9.026 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -5.952 -11.221 -7.790 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.491 -10.205 -7.814 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.540 -12.518 -8.411 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.242 -11.275 -7.173 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.219 -12.998 -6.727 1.00 0.00 H new ATOM 1571 N ALA A 101 -6.687 -12.617 -5.291 1.00 0.00 N ATOM 1572 CA ALA A 101 -8.125 -12.498 -5.088 1.00 0.00 C ATOM 1573 C ALA A 101 -8.437 -11.674 -3.843 1.00 0.00 C ATOM 1574 O ALA A 101 -9.344 -10.842 -3.850 1.00 0.00 O ATOM 1575 CB ALA A 101 -8.759 -13.878 -4.982 1.00 0.00 C ATOM 0 H ALA A 101 -6.348 -13.577 -5.356 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.547 -11.981 -5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.833 -13.774 -4.830 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.574 -14.435 -5.901 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.324 -14.415 -4.139 1.00 0.00 H new ATOM 1581 N MET A 102 -7.681 -11.912 -2.777 1.00 0.00 N ATOM 1582 CA MET A 102 -7.877 -11.190 -1.525 1.00 0.00 C ATOM 1583 C MET A 102 -7.416 -9.742 -1.654 1.00 0.00 C ATOM 1584 O MET A 102 -7.984 -8.843 -1.035 1.00 0.00 O ATOM 1585 CB MET A 102 -7.118 -11.880 -0.389 1.00 0.00 C ATOM 1586 CG MET A 102 -7.300 -13.389 -0.365 1.00 0.00 C ATOM 1587 SD MET A 102 -6.626 -14.146 1.125 1.00 0.00 S ATOM 1588 CE MET A 102 -4.913 -13.634 1.020 1.00 0.00 C ATOM 0 H MET A 102 -6.927 -12.599 -2.755 1.00 0.00 H new ATOM 0 HA MET A 102 -8.943 -11.194 -1.296 1.00 0.00 H new ATOM 0 HB2 MET A 102 -6.056 -11.652 -0.481 1.00 0.00 H new ATOM 0 HB3 MET A 102 -7.451 -11.467 0.563 1.00 0.00 H new ATOM 0 HG2 MET A 102 -8.362 -13.624 -0.439 1.00 0.00 H new ATOM 0 HG3 MET A 102 -6.816 -13.823 -1.240 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.266 -14.508 1.101 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.739 -13.141 0.064 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.690 -12.941 1.831 1.00 0.00 H new ATOM 1598 N ALA A 103 -6.383 -9.524 -2.462 1.00 0.00 N ATOM 1599 CA ALA A 103 -5.848 -8.185 -2.673 1.00 0.00 C ATOM 1600 C ALA A 103 -6.940 -7.222 -3.126 1.00 0.00 C ATOM 1601 O ALA A 103 -7.041 -6.102 -2.624 1.00 0.00 O ATOM 1602 CB ALA A 103 -4.719 -8.223 -3.692 1.00 0.00 C ATOM 0 H ALA A 103 -5.900 -10.258 -2.981 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.454 -7.824 -1.723 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.329 -7.216 -3.840 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.922 -8.871 -3.328 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.096 -8.609 -4.639 1.00 0.00 H new ATOM 1608 N ARG A 104 -7.755 -7.664 -4.077 1.00 0.00 N ATOM 1609 CA ARG A 104 -8.839 -6.840 -4.599 1.00 0.00 C ATOM 1610 C ARG A 104 -9.821 -6.468 -3.492 1.00 0.00 C ATOM 1611 O ARG A 104 -10.179 -5.302 -3.330 1.00 0.00 O ATOM 1612 CB ARG A 104 -9.574 -7.577 -5.721 1.00 0.00 C ATOM 1613 CG ARG A 104 -8.703 -7.865 -6.933 1.00 0.00 C ATOM 1614 CD ARG A 104 -9.522 -8.419 -8.088 1.00 0.00 C ATOM 1615 NE ARG A 104 -10.064 -7.358 -8.933 1.00 0.00 N ATOM 1616 CZ ARG A 104 -9.353 -6.713 -9.851 1.00 0.00 C ATOM 1617 NH1 ARG A 104 -8.077 -7.021 -10.042 1.00 0.00 N ATOM 1618 NH2 ARG A 104 -9.917 -5.759 -10.580 1.00 0.00 N ATOM 0 H ARG A 104 -7.686 -8.588 -4.502 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.405 -5.924 -4.999 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.963 -8.518 -5.332 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.432 -6.982 -6.034 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -8.201 -6.950 -7.247 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.925 -8.579 -6.662 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -8.898 -9.079 -8.691 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -10.340 -9.023 -7.695 1.00 0.00 H new ATOM 0 HE ARG A 104 -11.043 -7.098 -8.811 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -7.640 -7.754 -9.483 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -7.533 -6.525 -10.747 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -10.898 -5.520 -10.436 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -9.370 -5.265 -11.285 1.00 0.00 H new ATOM 1632 N LYS A 105 -10.253 -7.468 -2.731 1.00 0.00 N ATOM 1633 CA LYS A 105 -11.193 -7.248 -1.638 1.00 0.00 C ATOM 1634 C LYS A 105 -10.867 -5.958 -0.893 1.00 0.00 C ATOM 1635 O LYS A 105 -11.759 -5.171 -0.574 1.00 0.00 O ATOM 1636 CB LYS A 105 -11.165 -8.431 -0.668 1.00 0.00 C ATOM 1637 CG LYS A 105 -12.124 -9.548 -1.042 1.00 0.00 C ATOM 1638 CD LYS A 105 -12.300 -10.537 0.097 1.00 0.00 C ATOM 1639 CE LYS A 105 -13.187 -9.972 1.196 1.00 0.00 C ATOM 1640 NZ LYS A 105 -13.800 -11.048 2.022 1.00 0.00 N ATOM 0 H LYS A 105 -9.967 -8.440 -2.851 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.193 -7.159 -2.063 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.152 -8.832 -0.626 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.408 -8.075 0.333 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.092 -9.124 -1.309 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.750 -10.069 -1.923 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.736 -11.460 -0.286 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -11.325 -10.793 0.511 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.598 -9.314 1.835 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.974 -9.363 0.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -14.808 -10.840 2.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -13.703 -11.960 1.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -13.317 -11.097 2.942 1.00 0.00 H new ATOM 1654 N LEU A 106 -9.585 -5.746 -0.618 1.00 0.00 N ATOM 1655 CA LEU A 106 -9.141 -4.550 0.089 1.00 0.00 C ATOM 1656 C LEU A 106 -9.361 -3.302 -0.760 1.00 0.00 C ATOM 1657 O LEU A 106 -9.951 -2.325 -0.302 1.00 0.00 O ATOM 1658 CB LEU A 106 -7.662 -4.673 0.462 1.00 0.00 C ATOM 1659 CG LEU A 106 -7.109 -3.583 1.381 1.00 0.00 C ATOM 1660 CD1 LEU A 106 -7.793 -3.632 2.738 1.00 0.00 C ATOM 1661 CD2 LEU A 106 -5.602 -3.730 1.536 1.00 0.00 C ATOM 0 H LEU A 106 -8.834 -6.387 -0.874 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.732 -4.456 1.000 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.508 -5.639 0.944 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.075 -4.678 -0.457 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.315 -2.613 0.928 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.387 -2.849 3.379 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.865 -3.477 2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.619 -4.605 3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.226 -2.946 2.193 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.374 -4.705 1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.126 -3.644 0.559 1.00 0.00 H new ATOM 1673 N GLN A 107 -8.885 -3.345 -2.000 1.00 0.00 N ATOM 1674 CA GLN A 107 -9.031 -2.218 -2.914 1.00 0.00 C ATOM 1675 C GLN A 107 -10.480 -1.745 -2.967 1.00 0.00 C ATOM 1676 O GLN A 107 -10.777 -0.589 -2.667 1.00 0.00 O ATOM 1677 CB GLN A 107 -8.557 -2.606 -4.316 1.00 0.00 C ATOM 1678 CG GLN A 107 -8.117 -1.420 -5.159 1.00 0.00 C ATOM 1679 CD GLN A 107 -7.300 -1.834 -6.366 1.00 0.00 C ATOM 1680 OE1 GLN A 107 -7.503 -2.910 -6.929 1.00 0.00 O ATOM 1681 NE2 GLN A 107 -6.369 -0.979 -6.773 1.00 0.00 N ATOM 0 H GLN A 107 -8.395 -4.148 -2.395 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.414 -1.400 -2.543 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -7.727 -3.307 -4.229 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -9.363 -3.129 -4.831 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -8.997 -0.869 -5.492 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -7.529 -0.739 -4.543 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -6.234 -0.098 -6.277 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -5.789 -1.203 -7.581 1.00 0.00 H new ATOM 1690 N ASP A 108 -11.378 -2.647 -3.350 1.00 0.00 N ATOM 1691 CA ASP A 108 -12.796 -2.322 -3.442 1.00 0.00 C ATOM 1692 C ASP A 108 -13.222 -1.415 -2.291 1.00 0.00 C ATOM 1693 O ASP A 108 -14.159 -0.628 -2.421 1.00 0.00 O ATOM 1694 CB ASP A 108 -13.636 -3.601 -3.437 1.00 0.00 C ATOM 1695 CG ASP A 108 -14.929 -3.447 -4.212 1.00 0.00 C ATOM 1696 OD1 ASP A 108 -14.901 -2.824 -5.294 1.00 0.00 O ATOM 1697 OD2 ASP A 108 -15.969 -3.950 -3.738 1.00 0.00 O ATOM 0 H ASP A 108 -11.148 -3.608 -3.602 1.00 0.00 H new ATOM 0 HA ASP A 108 -12.961 -1.791 -4.380 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -13.054 -4.416 -3.866 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -13.864 -3.879 -2.408 1.00 0.00 H new ATOM 1702 N VAL A 109 -12.527 -1.532 -1.164 1.00 0.00 N ATOM 1703 CA VAL A 109 -12.832 -0.723 0.010 1.00 0.00 C ATOM 1704 C VAL A 109 -11.992 0.549 0.034 1.00 0.00 C ATOM 1705 O VAL A 109 -12.491 1.630 0.349 1.00 0.00 O ATOM 1706 CB VAL A 109 -12.591 -1.509 1.312 1.00 0.00 C ATOM 1707 CG1 VAL A 109 -12.879 -0.637 2.524 1.00 0.00 C ATOM 1708 CG2 VAL A 109 -13.441 -2.770 1.338 1.00 0.00 C ATOM 0 H VAL A 109 -11.749 -2.179 -1.039 1.00 0.00 H new ATOM 0 HA VAL A 109 -13.887 -0.457 -0.055 1.00 0.00 H new ATOM 0 HB VAL A 109 -11.542 -1.804 1.348 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -12.703 -1.210 3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -12.223 0.233 2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -13.918 -0.308 2.497 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -13.258 -3.313 2.265 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -14.495 -2.499 1.278 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -13.180 -3.402 0.489 1.00 0.00 H new ATOM 1718 N PHE A 110 -10.713 0.414 -0.301 1.00 0.00 N ATOM 1719 CA PHE A 110 -9.802 1.552 -0.317 1.00 0.00 C ATOM 1720 C PHE A 110 -10.220 2.568 -1.376 1.00 0.00 C ATOM 1721 O PHE A 110 -10.409 3.747 -1.079 1.00 0.00 O ATOM 1722 CB PHE A 110 -8.370 1.083 -0.581 1.00 0.00 C ATOM 1723 CG PHE A 110 -7.412 2.207 -0.858 1.00 0.00 C ATOM 1724 CD1 PHE A 110 -6.849 2.926 0.184 1.00 0.00 C ATOM 1725 CD2 PHE A 110 -7.075 2.543 -2.159 1.00 0.00 C ATOM 1726 CE1 PHE A 110 -5.968 3.961 -0.068 1.00 0.00 C ATOM 1727 CE2 PHE A 110 -6.195 3.577 -2.417 1.00 0.00 C ATOM 1728 CZ PHE A 110 -5.640 4.286 -1.370 1.00 0.00 C ATOM 0 H PHE A 110 -10.284 -0.473 -0.565 1.00 0.00 H new ATOM 0 HA PHE A 110 -9.845 2.033 0.660 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -8.016 0.519 0.282 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -8.371 0.399 -1.430 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.101 2.675 1.204 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.505 1.990 -2.981 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -5.536 4.515 0.752 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -5.942 3.830 -3.436 1.00 0.00 H new ATOM 0 HZ PHE A 110 -4.951 5.093 -1.569 1.00 0.00 H new ATOM 1738 N GLU A 111 -10.362 2.101 -2.612 1.00 0.00 N ATOM 1739 CA GLU A 111 -10.756 2.969 -3.716 1.00 0.00 C ATOM 1740 C GLU A 111 -12.045 3.715 -3.387 1.00 0.00 C ATOM 1741 O GLU A 111 -12.060 4.943 -3.304 1.00 0.00 O ATOM 1742 CB GLU A 111 -10.939 2.152 -4.997 1.00 0.00 C ATOM 1743 CG GLU A 111 -9.670 2.023 -5.823 1.00 0.00 C ATOM 1744 CD GLU A 111 -9.953 1.722 -7.282 1.00 0.00 C ATOM 1745 OE1 GLU A 111 -10.967 2.229 -7.806 1.00 0.00 O ATOM 1746 OE2 GLU A 111 -9.161 0.979 -7.899 1.00 0.00 O ATOM 0 H GLU A 111 -10.210 1.127 -2.874 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.962 3.700 -3.871 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -11.295 1.156 -4.735 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -11.714 2.617 -5.607 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.098 2.948 -5.751 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -9.048 1.231 -5.406 1.00 0.00 H new ATOM 1753 N MET A 112 -13.126 2.964 -3.202 1.00 0.00 N ATOM 1754 CA MET A 112 -14.421 3.554 -2.882 1.00 0.00 C ATOM 1755 C MET A 112 -14.291 4.568 -1.750 1.00 0.00 C ATOM 1756 O MET A 112 -14.887 5.644 -1.796 1.00 0.00 O ATOM 1757 CB MET A 112 -15.420 2.463 -2.493 1.00 0.00 C ATOM 1758 CG MET A 112 -15.110 1.802 -1.160 1.00 0.00 C ATOM 1759 SD MET A 112 -16.390 0.641 -0.645 1.00 0.00 S ATOM 1760 CE MET A 112 -17.773 1.752 -0.396 1.00 0.00 C ATOM 0 H MET A 112 -13.131 1.946 -3.268 1.00 0.00 H new ATOM 0 HA MET A 112 -14.786 4.071 -3.769 1.00 0.00 H new ATOM 0 HB2 MET A 112 -16.420 2.896 -2.451 1.00 0.00 H new ATOM 0 HB3 MET A 112 -15.435 1.701 -3.272 1.00 0.00 H new ATOM 0 HG2 MET A 112 -14.157 1.278 -1.232 1.00 0.00 H new ATOM 0 HG3 MET A 112 -14.994 2.571 -0.396 1.00 0.00 H new ATOM 0 HE1 MET A 112 -18.513 1.273 0.245 1.00 0.00 H new ATOM 0 HE2 MET A 112 -17.422 2.669 0.077 1.00 0.00 H new ATOM 0 HE3 MET A 112 -18.226 1.990 -1.358 1.00 0.00 H new ATOM 1770 N ARG A 113 -13.508 4.218 -0.734 1.00 0.00 N ATOM 1771 CA ARG A 113 -13.302 5.097 0.410 1.00 0.00 C ATOM 1772 C ARG A 113 -12.726 6.439 -0.032 1.00 0.00 C ATOM 1773 O ARG A 113 -13.298 7.494 0.245 1.00 0.00 O ATOM 1774 CB ARG A 113 -12.366 4.438 1.425 1.00 0.00 C ATOM 1775 CG ARG A 113 -13.076 3.497 2.386 1.00 0.00 C ATOM 1776 CD ARG A 113 -13.922 4.262 3.392 1.00 0.00 C ATOM 1777 NE ARG A 113 -13.101 4.986 4.359 1.00 0.00 N ATOM 1778 CZ ARG A 113 -13.599 5.629 5.410 1.00 0.00 C ATOM 1779 NH1 ARG A 113 -14.907 5.636 5.628 1.00 0.00 N ATOM 1780 NH2 ARG A 113 -12.788 6.265 6.245 1.00 0.00 N ATOM 0 H ARG A 113 -13.006 3.332 -0.680 1.00 0.00 H new ATOM 0 HA ARG A 113 -14.270 5.273 0.879 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -11.595 3.884 0.890 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -11.860 5.215 1.998 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -13.709 2.811 1.824 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -12.340 2.891 2.914 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -14.565 4.966 2.864 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -14.575 3.567 3.919 1.00 0.00 H new ATOM 0 HE ARG A 113 -12.091 4.999 4.220 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -15.533 5.147 4.988 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -15.287 6.130 6.435 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -11.781 6.261 6.081 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -13.171 6.758 7.051 1.00 0.00 H new ATOM 1794 N PHE A 114 -11.590 6.391 -0.720 1.00 0.00 N ATOM 1795 CA PHE A 114 -10.935 7.603 -1.199 1.00 0.00 C ATOM 1796 C PHE A 114 -11.938 8.532 -1.877 1.00 0.00 C ATOM 1797 O PHE A 114 -12.011 9.719 -1.563 1.00 0.00 O ATOM 1798 CB PHE A 114 -9.811 7.248 -2.175 1.00 0.00 C ATOM 1799 CG PHE A 114 -8.766 8.320 -2.300 1.00 0.00 C ATOM 1800 CD1 PHE A 114 -7.887 8.574 -1.260 1.00 0.00 C ATOM 1801 CD2 PHE A 114 -8.662 9.073 -3.459 1.00 0.00 C ATOM 1802 CE1 PHE A 114 -6.924 9.559 -1.372 1.00 0.00 C ATOM 1803 CE2 PHE A 114 -7.701 10.059 -3.576 1.00 0.00 C ATOM 1804 CZ PHE A 114 -6.831 10.303 -2.531 1.00 0.00 C ATOM 0 H PHE A 114 -11.104 5.526 -0.958 1.00 0.00 H new ATOM 0 HA PHE A 114 -10.511 8.121 -0.339 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -9.335 6.324 -1.848 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -10.241 7.055 -3.158 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -7.955 7.995 -0.351 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -9.339 8.887 -4.279 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -6.245 9.746 -0.553 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -7.630 10.639 -4.484 1.00 0.00 H new ATOM 0 HZ PHE A 114 -6.080 11.074 -2.621 1.00 0.00 H new ATOM 1814 N ALA A 115 -12.709 7.981 -2.809 1.00 0.00 N ATOM 1815 CA ALA A 115 -13.709 8.758 -3.531 1.00 0.00 C ATOM 1816 C ALA A 115 -14.791 9.273 -2.587 1.00 0.00 C ATOM 1817 O ALA A 115 -15.135 10.455 -2.606 1.00 0.00 O ATOM 1818 CB ALA A 115 -14.329 7.921 -4.640 1.00 0.00 C ATOM 0 H ALA A 115 -12.660 6.999 -3.082 1.00 0.00 H new ATOM 0 HA ALA A 115 -13.211 9.619 -3.976 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -15.074 8.514 -5.170 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -13.552 7.607 -5.337 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -14.806 7.041 -4.208 1.00 0.00 H new ATOM 1824 N LYS A 116 -15.323 8.378 -1.762 1.00 0.00 N ATOM 1825 CA LYS A 116 -16.366 8.741 -0.809 1.00 0.00 C ATOM 1826 C LYS A 116 -16.067 10.090 -0.162 1.00 0.00 C ATOM 1827 O LYS A 116 -16.954 10.930 -0.018 1.00 0.00 O ATOM 1828 CB LYS A 116 -16.497 7.664 0.270 1.00 0.00 C ATOM 1829 CG LYS A 116 -17.230 6.419 -0.199 1.00 0.00 C ATOM 1830 CD LYS A 116 -18.736 6.579 -0.079 1.00 0.00 C ATOM 1831 CE LYS A 116 -19.471 5.723 -1.099 1.00 0.00 C ATOM 1832 NZ LYS A 116 -19.161 6.136 -2.496 1.00 0.00 N ATOM 0 H LYS A 116 -15.049 7.396 -1.734 1.00 0.00 H new ATOM 0 HA LYS A 116 -17.308 8.819 -1.352 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -15.501 7.382 0.613 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -17.022 8.083 1.128 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -16.967 6.210 -1.236 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -16.906 5.561 0.391 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -19.053 6.302 0.926 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -19.004 7.626 -0.221 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -19.197 4.677 -0.960 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -20.545 5.797 -0.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -19.972 5.921 -3.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -18.969 7.158 -2.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -18.325 5.618 -2.834 1.00 0.00 H new ATOM 1846 N MET A 117 -14.811 10.290 0.225 1.00 0.00 N ATOM 1847 CA MET A 117 -14.395 11.538 0.854 1.00 0.00 C ATOM 1848 C MET A 117 -15.132 12.726 0.244 1.00 0.00 C ATOM 1849 O MET A 117 -14.661 13.336 -0.717 1.00 0.00 O ATOM 1850 CB MET A 117 -12.884 11.730 0.706 1.00 0.00 C ATOM 1851 CG MET A 117 -12.281 12.642 1.762 1.00 0.00 C ATOM 1852 SD MET A 117 -10.650 13.255 1.300 1.00 0.00 S ATOM 1853 CE MET A 117 -9.726 11.723 1.209 1.00 0.00 C ATOM 0 H MET A 117 -14.064 9.604 0.114 1.00 0.00 H new ATOM 0 HA MET A 117 -14.645 11.483 1.914 1.00 0.00 H new ATOM 0 HB2 MET A 117 -12.396 10.757 0.756 1.00 0.00 H new ATOM 0 HB3 MET A 117 -12.673 12.142 -0.281 1.00 0.00 H new ATOM 0 HG2 MET A 117 -12.948 13.487 1.931 1.00 0.00 H new ATOM 0 HG3 MET A 117 -12.208 12.101 2.705 1.00 0.00 H new ATOM 0 HE1 MET A 117 -8.823 11.806 1.814 1.00 0.00 H new ATOM 0 HE2 MET A 117 -10.341 10.905 1.584 1.00 0.00 H new ATOM 0 HE3 MET A 117 -9.451 11.525 0.173 1.00 0.00 H new