USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 697 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 HIS : no HE2:sc= -1.49 K(o=-2.5,f=-4!) USER MOD Set 1.2: A 93 SER OG : rot 101:sc= -0.97 USER MOD Set 2.1: A 15 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.0894 X(o=-0.089,f=-0.098) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -1.94! K(o=-1.9!,f=-0.29) USER MOD Single : A 28 GLN : amide:sc= -0.0697 X(o=-0.07,f=-0.41) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -9.02! C(o=-9!,f=-11!) USER MOD Single : A 49 SER OG : rot -66:sc= 1.32 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -2.25 USER MOD Single : A 58 HIS : no HD1:sc= -0.135 K(o=-0.14,f=-0.73) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -3.07! K(o=-3.1!,f=-0.0062) USER MOD Single : A 76 ASN : amide:sc= -0.178 X(o=-0.18,f=-0.38) USER MOD Single : A 79 HIS : no HE2:sc= -6.68! C(o=-6.7!,f=-8.2!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.0736 X(o=-0.074,f=0.15) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -133:sc= -0.842 (180deg=-2.76!) USER MOD ----------------------------------------------------------------- ATOM 89 N ASP A 10 -5.633 17.965 -2.609 1.00 0.00 N ATOM 90 CA ASP A 10 -5.613 17.138 -3.811 1.00 0.00 C ATOM 91 C ASP A 10 -5.397 15.671 -3.456 1.00 0.00 C ATOM 92 O ASP A 10 -4.313 15.125 -3.664 1.00 0.00 O ATOM 93 CB ASP A 10 -4.516 17.613 -4.764 1.00 0.00 C ATOM 94 CG ASP A 10 -3.336 18.222 -4.032 1.00 0.00 C ATOM 95 OD1 ASP A 10 -3.150 17.903 -2.839 1.00 0.00 O ATOM 96 OD2 ASP A 10 -2.599 19.016 -4.652 1.00 0.00 O ATOM 0 HA ASP A 10 -6.579 17.235 -4.306 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.172 16.771 -5.365 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.931 18.348 -5.453 1.00 0.00 H new ATOM 101 N ALA A 11 -6.434 15.037 -2.919 1.00 0.00 N ATOM 102 CA ALA A 11 -6.357 13.633 -2.536 1.00 0.00 C ATOM 103 C ALA A 11 -6.948 12.736 -3.619 1.00 0.00 C ATOM 104 O ALA A 11 -6.389 11.688 -3.944 1.00 0.00 O ATOM 105 CB ALA A 11 -7.073 13.406 -1.213 1.00 0.00 C ATOM 0 H ALA A 11 -7.338 15.474 -2.739 1.00 0.00 H new ATOM 0 HA ALA A 11 -5.305 13.372 -2.417 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.007 12.353 -0.940 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.605 14.012 -0.437 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.121 13.690 -1.313 1.00 0.00 H new ATOM 111 N ARG A 12 -8.081 13.154 -4.174 1.00 0.00 N ATOM 112 CA ARG A 12 -8.748 12.387 -5.219 1.00 0.00 C ATOM 113 C ARG A 12 -7.881 12.307 -6.472 1.00 0.00 C ATOM 114 O ARG A 12 -8.152 11.518 -7.378 1.00 0.00 O ATOM 115 CB ARG A 12 -10.099 13.017 -5.560 1.00 0.00 C ATOM 116 CG ARG A 12 -11.160 12.797 -4.495 1.00 0.00 C ATOM 117 CD ARG A 12 -12.556 13.071 -5.033 1.00 0.00 C ATOM 118 NE ARG A 12 -12.987 12.048 -5.982 1.00 0.00 N ATOM 119 CZ ARG A 12 -13.361 10.825 -5.625 1.00 0.00 C ATOM 120 NH1 ARG A 12 -13.359 10.474 -4.346 1.00 0.00 N ATOM 121 NH2 ARG A 12 -13.741 9.950 -6.547 1.00 0.00 N ATOM 0 H ARG A 12 -8.556 14.019 -3.917 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.910 11.376 -4.845 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.963 14.088 -5.710 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -10.454 12.606 -6.505 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -11.104 11.771 -4.131 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.963 13.448 -3.644 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -13.262 13.116 -4.204 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -12.572 14.046 -5.519 1.00 0.00 H new ATOM 0 HE ARG A 12 -13.002 12.286 -6.974 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.070 11.144 -3.634 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.647 9.534 -4.075 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.746 10.216 -7.532 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.028 9.011 -6.271 1.00 0.00 H new ATOM 135 N ARG A 13 -6.837 13.129 -6.517 1.00 0.00 N ATOM 136 CA ARG A 13 -5.932 13.153 -7.660 1.00 0.00 C ATOM 137 C ARG A 13 -4.761 12.197 -7.445 1.00 0.00 C ATOM 138 O ARG A 13 -3.599 12.590 -7.550 1.00 0.00 O ATOM 139 CB ARG A 13 -5.410 14.571 -7.895 1.00 0.00 C ATOM 140 CG ARG A 13 -6.471 15.534 -8.402 1.00 0.00 C ATOM 141 CD ARG A 13 -7.224 16.189 -7.255 1.00 0.00 C ATOM 142 NE ARG A 13 -7.833 17.455 -7.652 1.00 0.00 N ATOM 143 CZ ARG A 13 -7.134 18.527 -8.009 1.00 0.00 C ATOM 144 NH1 ARG A 13 -5.809 18.485 -8.019 1.00 0.00 N ATOM 145 NH2 ARG A 13 -7.761 19.643 -8.358 1.00 0.00 N ATOM 0 H ARG A 13 -6.597 13.787 -5.775 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.488 12.828 -8.539 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.997 14.956 -6.963 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.592 14.533 -8.614 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.002 16.303 -9.017 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.173 14.999 -9.041 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.998 15.511 -6.896 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.540 16.361 -6.424 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.851 17.520 -7.655 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.324 17.628 -7.752 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.275 19.309 -8.293 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.780 19.678 -8.352 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -7.224 20.466 -8.632 1.00 0.00 H new ATOM 159 N LEU A 14 -5.076 10.942 -7.145 1.00 0.00 N ATOM 160 CA LEU A 14 -4.051 9.930 -6.915 1.00 0.00 C ATOM 161 C LEU A 14 -4.480 8.582 -7.484 1.00 0.00 C ATOM 162 O LEU A 14 -5.601 8.127 -7.255 1.00 0.00 O ATOM 163 CB LEU A 14 -3.763 9.798 -5.419 1.00 0.00 C ATOM 164 CG LEU A 14 -2.661 10.701 -4.864 1.00 0.00 C ATOM 165 CD1 LEU A 14 -3.229 12.055 -4.467 1.00 0.00 C ATOM 166 CD2 LEU A 14 -1.977 10.039 -3.677 1.00 0.00 C ATOM 0 H LEU A 14 -6.033 10.601 -7.055 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.142 10.246 -7.426 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.683 10.005 -4.873 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.495 8.762 -5.211 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.918 10.857 -5.646 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.430 12.684 -4.074 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.672 12.534 -5.340 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.993 11.919 -3.702 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.196 10.696 -3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.710 9.852 -2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.535 9.094 -3.993 1.00 0.00 H new ATOM 178 N THR A 15 -3.579 7.944 -8.226 1.00 0.00 N ATOM 179 CA THR A 15 -3.863 6.647 -8.826 1.00 0.00 C ATOM 180 C THR A 15 -2.896 5.583 -8.320 1.00 0.00 C ATOM 181 O THR A 15 -1.683 5.792 -8.297 1.00 0.00 O ATOM 182 CB THR A 15 -3.781 6.710 -10.363 1.00 0.00 C ATOM 183 OG1 THR A 15 -4.455 7.878 -10.843 1.00 0.00 O ATOM 184 CG2 THR A 15 -4.399 5.469 -10.989 1.00 0.00 C ATOM 0 H THR A 15 -2.646 8.305 -8.425 1.00 0.00 H new ATOM 0 HA THR A 15 -4.878 6.379 -8.534 1.00 0.00 H new ATOM 0 HB THR A 15 -2.730 6.756 -10.647 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.396 7.911 -11.821 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.329 5.536 -12.075 1.00 0.00 H new ATOM 0 HG22 THR A 15 -3.865 4.583 -10.645 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.446 5.397 -10.696 1.00 0.00 H new ATOM 192 N VAL A 16 -3.440 4.440 -7.914 1.00 0.00 N ATOM 193 CA VAL A 16 -2.625 3.342 -7.410 1.00 0.00 C ATOM 194 C VAL A 16 -2.051 2.513 -8.553 1.00 0.00 C ATOM 195 O VAL A 16 -2.704 2.315 -9.578 1.00 0.00 O ATOM 196 CB VAL A 16 -3.437 2.421 -6.480 1.00 0.00 C ATOM 197 CG1 VAL A 16 -2.676 1.133 -6.205 1.00 0.00 C ATOM 198 CG2 VAL A 16 -3.774 3.139 -5.181 1.00 0.00 C ATOM 0 H VAL A 16 -4.442 4.251 -7.925 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.808 3.789 -6.844 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.371 2.163 -6.979 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.266 0.496 -5.546 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.491 0.612 -7.144 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.725 1.367 -5.727 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.348 2.474 -4.536 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.853 3.429 -4.676 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.363 4.030 -5.400 1.00 0.00 H new ATOM 208 N MET A 17 -0.827 2.029 -8.370 1.00 0.00 N ATOM 209 CA MET A 17 -0.166 1.219 -9.386 1.00 0.00 C ATOM 210 C MET A 17 0.444 -0.035 -8.770 1.00 0.00 C ATOM 211 O MET A 17 0.625 -0.116 -7.555 1.00 0.00 O ATOM 212 CB MET A 17 0.920 2.035 -10.092 1.00 0.00 C ATOM 213 CG MET A 17 0.380 3.233 -10.856 1.00 0.00 C ATOM 214 SD MET A 17 1.391 3.656 -12.288 1.00 0.00 S ATOM 215 CE MET A 17 0.220 3.392 -13.618 1.00 0.00 C ATOM 0 H MET A 17 -0.273 2.184 -7.528 1.00 0.00 H new ATOM 0 HA MET A 17 -0.915 0.915 -10.117 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.641 2.382 -9.352 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.459 1.387 -10.783 1.00 0.00 H new ATOM 0 HG2 MET A 17 -0.638 3.021 -11.184 1.00 0.00 H new ATOM 0 HG3 MET A 17 0.327 4.092 -10.187 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.698 3.613 -14.573 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.112 2.354 -13.610 1.00 0.00 H new ATOM 0 HE3 MET A 17 -0.639 4.049 -13.482 1.00 0.00 H new ATOM 225 N SER A 18 0.759 -1.012 -9.615 1.00 0.00 N ATOM 226 CA SER A 18 1.344 -2.264 -9.151 1.00 0.00 C ATOM 227 C SER A 18 0.771 -2.664 -7.795 1.00 0.00 C ATOM 228 O SER A 18 1.512 -2.891 -6.837 1.00 0.00 O ATOM 229 CB SER A 18 2.866 -2.136 -9.057 1.00 0.00 C ATOM 230 OG SER A 18 3.420 -1.716 -10.292 1.00 0.00 O ATOM 0 H SER A 18 0.619 -0.960 -10.624 1.00 0.00 H new ATOM 0 HA SER A 18 1.095 -3.041 -9.873 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.126 -1.421 -8.276 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.298 -3.094 -8.769 1.00 0.00 H new ATOM 0 HG SER A 18 4.393 -1.640 -10.205 1.00 0.00 H new ATOM 236 N LEU A 19 -0.553 -2.747 -7.721 1.00 0.00 N ATOM 237 CA LEU A 19 -1.228 -3.119 -6.483 1.00 0.00 C ATOM 238 C LEU A 19 -1.834 -4.514 -6.591 1.00 0.00 C ATOM 239 O LEU A 19 -2.726 -4.752 -7.405 1.00 0.00 O ATOM 240 CB LEU A 19 -2.319 -2.100 -6.148 1.00 0.00 C ATOM 241 CG LEU A 19 -3.297 -2.503 -5.043 1.00 0.00 C ATOM 242 CD1 LEU A 19 -2.764 -2.086 -3.681 1.00 0.00 C ATOM 243 CD2 LEU A 19 -4.666 -1.889 -5.294 1.00 0.00 C ATOM 0 H LEU A 19 -1.180 -2.562 -8.504 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.488 -3.126 -5.683 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.839 -1.166 -5.858 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.889 -1.897 -7.054 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.401 -3.588 -5.052 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.473 -2.381 -2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.806 -2.574 -3.500 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.631 -1.004 -3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.349 -2.186 -4.498 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.580 -0.803 -5.312 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.051 -2.238 -6.252 1.00 0.00 H new ATOM 255 N GLN A 20 -1.346 -5.432 -5.762 1.00 0.00 N ATOM 256 CA GLN A 20 -1.842 -6.803 -5.765 1.00 0.00 C ATOM 257 C GLN A 20 -3.111 -6.925 -4.927 1.00 0.00 C ATOM 258 O GLN A 20 -3.166 -6.445 -3.795 1.00 0.00 O ATOM 259 CB GLN A 20 -0.771 -7.756 -5.231 1.00 0.00 C ATOM 260 CG GLN A 20 -1.016 -9.211 -5.595 1.00 0.00 C ATOM 261 CD GLN A 20 -0.412 -9.588 -6.933 1.00 0.00 C ATOM 262 OE1 GLN A 20 -1.102 -9.613 -7.953 1.00 0.00 O ATOM 263 NE2 GLN A 20 0.883 -9.882 -6.938 1.00 0.00 N ATOM 0 H GLN A 20 -0.609 -5.251 -5.081 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.080 -7.074 -6.794 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.201 -7.452 -5.619 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.723 -7.665 -4.146 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.597 -9.851 -4.818 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.089 -9.400 -5.619 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.417 -9.849 -6.070 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.344 -10.141 -7.810 1.00 0.00 H new ATOM 272 N GLU A 21 -4.127 -7.569 -5.491 1.00 0.00 N ATOM 273 CA GLU A 21 -5.396 -7.752 -4.796 1.00 0.00 C ATOM 274 C GLU A 21 -5.781 -9.227 -4.746 1.00 0.00 C ATOM 275 O GLU A 21 -6.298 -9.711 -3.739 1.00 0.00 O ATOM 276 CB GLU A 21 -6.501 -6.948 -5.484 1.00 0.00 C ATOM 277 CG GLU A 21 -6.632 -7.241 -6.969 1.00 0.00 C ATOM 278 CD GLU A 21 -7.931 -6.722 -7.554 1.00 0.00 C ATOM 279 OE1 GLU A 21 -9.001 -7.032 -6.988 1.00 0.00 O ATOM 280 OE2 GLU A 21 -7.879 -6.007 -8.576 1.00 0.00 O ATOM 0 H GLU A 21 -4.097 -7.973 -6.427 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.277 -7.391 -3.775 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.452 -7.161 -4.995 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.303 -5.885 -5.348 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.793 -6.790 -7.500 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.570 -8.317 -7.130 1.00 0.00 H new ATOM 287 N SER A 22 -5.526 -9.937 -5.840 1.00 0.00 N ATOM 288 CA SER A 22 -5.850 -11.356 -5.924 1.00 0.00 C ATOM 289 C SER A 22 -4.598 -12.184 -6.198 1.00 0.00 C ATOM 290 O SER A 22 -4.674 -13.280 -6.751 1.00 0.00 O ATOM 291 CB SER A 22 -6.887 -11.600 -7.022 1.00 0.00 C ATOM 292 OG SER A 22 -6.302 -11.498 -8.308 1.00 0.00 O ATOM 0 H SER A 22 -5.096 -9.552 -6.681 1.00 0.00 H new ATOM 0 HA SER A 22 -6.267 -11.666 -4.965 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.328 -12.589 -6.897 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.697 -10.876 -6.929 1.00 0.00 H new ATOM 0 HG SER A 22 -6.985 -11.660 -8.992 1.00 0.00 H new ATOM 298 N GLY A 23 -3.445 -11.649 -5.807 1.00 0.00 N ATOM 299 CA GLY A 23 -2.192 -12.351 -6.019 1.00 0.00 C ATOM 300 C GLY A 23 -1.197 -12.109 -4.902 1.00 0.00 C ATOM 301 O GLY A 23 0.014 -12.098 -5.130 1.00 0.00 O ATOM 0 H GLY A 23 -3.356 -10.743 -5.348 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.387 -13.420 -6.102 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.756 -12.032 -6.966 1.00 0.00 H new ATOM 305 N LEU A 24 -1.705 -11.913 -3.690 1.00 0.00 N ATOM 306 CA LEU A 24 -0.852 -11.668 -2.533 1.00 0.00 C ATOM 307 C LEU A 24 -0.328 -12.980 -1.955 1.00 0.00 C ATOM 308 O LEU A 24 -0.962 -14.026 -2.088 1.00 0.00 O ATOM 309 CB LEU A 24 -1.623 -10.898 -1.460 1.00 0.00 C ATOM 310 CG LEU A 24 -1.565 -9.373 -1.556 1.00 0.00 C ATOM 311 CD1 LEU A 24 -2.295 -8.735 -0.384 1.00 0.00 C ATOM 312 CD2 LEU A 24 -0.120 -8.897 -1.609 1.00 0.00 C ATOM 0 H LEU A 24 -2.704 -11.919 -3.483 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.001 -11.070 -2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.668 -11.205 -1.501 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.242 -11.195 -0.483 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.062 -9.067 -2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.243 -7.650 -0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.339 -9.050 -0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.828 -9.048 0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.097 -7.809 -1.677 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.401 -9.215 -0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.372 -9.326 -2.482 1.00 0.00 H new ATOM 324 N LYS A 25 0.833 -12.915 -1.312 1.00 0.00 N ATOM 325 CA LYS A 25 1.441 -14.095 -0.711 1.00 0.00 C ATOM 326 C LYS A 25 1.666 -13.890 0.784 1.00 0.00 C ATOM 327 O LYS A 25 2.309 -12.926 1.199 1.00 0.00 O ATOM 328 CB LYS A 25 2.771 -14.415 -1.398 1.00 0.00 C ATOM 329 CG LYS A 25 2.611 -15.042 -2.772 1.00 0.00 C ATOM 330 CD LYS A 25 2.423 -13.986 -3.848 1.00 0.00 C ATOM 331 CE LYS A 25 3.754 -13.397 -4.289 1.00 0.00 C ATOM 332 NZ LYS A 25 3.582 -12.381 -5.364 1.00 0.00 N ATOM 0 H LYS A 25 1.372 -12.057 -1.194 1.00 0.00 H new ATOM 0 HA LYS A 25 0.758 -14.933 -0.846 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.352 -13.497 -1.492 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.344 -15.091 -0.764 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.489 -15.645 -3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.754 -15.715 -2.768 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.916 -14.426 -4.707 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.779 -13.191 -3.471 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.250 -12.940 -3.433 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.405 -14.196 -4.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.512 -12.003 -5.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.132 -12.823 -6.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.982 -11.606 -5.016 1.00 0.00 H new ATOM 346 N VAL A 26 1.132 -14.804 1.589 1.00 0.00 N ATOM 347 CA VAL A 26 1.277 -14.724 3.038 1.00 0.00 C ATOM 348 C VAL A 26 2.739 -14.844 3.451 1.00 0.00 C ATOM 349 O VAL A 26 3.544 -15.458 2.753 1.00 0.00 O ATOM 350 CB VAL A 26 0.463 -15.825 3.744 1.00 0.00 C ATOM 351 CG1 VAL A 26 -1.021 -15.663 3.452 1.00 0.00 C ATOM 352 CG2 VAL A 26 0.951 -17.202 3.321 1.00 0.00 C ATOM 0 H VAL A 26 0.596 -15.608 1.262 1.00 0.00 H new ATOM 0 HA VAL A 26 0.896 -13.749 3.342 1.00 0.00 H new ATOM 0 HB VAL A 26 0.609 -15.727 4.820 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.580 -16.450 3.959 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.358 -14.690 3.810 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.190 -15.733 2.377 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.365 -17.968 3.829 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.836 -17.313 2.243 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.002 -17.313 3.587 1.00 0.00 H new ATOM 362 N ASN A 27 3.076 -14.252 4.593 1.00 0.00 N ATOM 363 CA ASN A 27 4.442 -14.292 5.101 1.00 0.00 C ATOM 364 C ASN A 27 5.436 -13.869 4.023 1.00 0.00 C ATOM 365 O ASN A 27 6.541 -14.403 3.941 1.00 0.00 O ATOM 366 CB ASN A 27 4.782 -15.698 5.599 1.00 0.00 C ATOM 367 CG ASN A 27 3.652 -16.317 6.399 1.00 0.00 C ATOM 368 OD1 ASN A 27 3.425 -15.959 7.554 1.00 0.00 O ATOM 369 ND2 ASN A 27 2.936 -17.252 5.785 1.00 0.00 N ATOM 0 H ASN A 27 2.421 -13.739 5.184 1.00 0.00 H new ATOM 0 HA ASN A 27 4.514 -13.591 5.933 1.00 0.00 H new ATOM 0 HB2 ASN A 27 5.012 -16.337 4.746 1.00 0.00 H new ATOM 0 HB3 ASN A 27 5.679 -15.655 6.216 1.00 0.00 H new ATOM 0 HD21 ASN A 27 2.162 -17.704 6.272 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.160 -17.518 4.826 1.00 0.00 H new ATOM 376 N GLN A 28 5.033 -12.905 3.201 1.00 0.00 N ATOM 377 CA GLN A 28 5.888 -12.410 2.128 1.00 0.00 C ATOM 378 C GLN A 28 5.738 -10.902 1.965 1.00 0.00 C ATOM 379 O GLN A 28 4.649 -10.343 2.099 1.00 0.00 O ATOM 380 CB GLN A 28 5.551 -13.114 0.812 1.00 0.00 C ATOM 381 CG GLN A 28 6.245 -14.456 0.644 1.00 0.00 C ATOM 382 CD GLN A 28 7.626 -14.326 0.033 1.00 0.00 C ATOM 383 OE1 GLN A 28 8.618 -14.159 0.742 1.00 0.00 O ATOM 384 NE2 GLN A 28 7.697 -14.402 -1.291 1.00 0.00 N ATOM 0 H GLN A 28 4.121 -12.452 3.257 1.00 0.00 H new ATOM 0 HA GLN A 28 6.923 -12.627 2.393 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.473 -13.263 0.755 1.00 0.00 H new ATOM 0 HB3 GLN A 28 5.828 -12.465 -0.019 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.326 -14.943 1.616 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.632 -15.101 0.014 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.849 -14.541 -1.840 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.600 -14.321 -1.759 1.00 0.00 H new ATOM 393 N PRO A 29 6.858 -10.224 1.669 1.00 0.00 N ATOM 394 CA PRO A 29 6.876 -8.770 1.481 1.00 0.00 C ATOM 395 C PRO A 29 6.162 -8.341 0.204 1.00 0.00 C ATOM 396 O PRO A 29 6.436 -8.863 -0.876 1.00 0.00 O ATOM 397 CB PRO A 29 8.369 -8.443 1.395 1.00 0.00 C ATOM 398 CG PRO A 29 9.006 -9.702 0.916 1.00 0.00 C ATOM 399 CD PRO A 29 8.191 -10.825 1.495 1.00 0.00 C ATOM 0 HA PRO A 29 6.357 -8.248 2.285 1.00 0.00 H new ATOM 0 HB2 PRO A 29 8.555 -7.619 0.706 1.00 0.00 H new ATOM 0 HB3 PRO A 29 8.765 -8.143 2.365 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.013 -9.746 -0.173 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.044 -9.764 1.244 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.160 -11.685 0.826 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.602 -11.173 2.443 1.00 0.00 H new ATOM 407 N ALA A 30 5.246 -7.388 0.336 1.00 0.00 N ATOM 408 CA ALA A 30 4.494 -6.888 -0.809 1.00 0.00 C ATOM 409 C ALA A 30 4.399 -5.366 -0.780 1.00 0.00 C ATOM 410 O ALA A 30 3.840 -4.787 0.151 1.00 0.00 O ATOM 411 CB ALA A 30 3.104 -7.505 -0.838 1.00 0.00 C ATOM 0 H ALA A 30 5.006 -6.946 1.224 1.00 0.00 H new ATOM 0 HA ALA A 30 5.026 -7.176 -1.716 1.00 0.00 H new ATOM 0 HB1 ALA A 30 2.554 -7.123 -1.698 1.00 0.00 H new ATOM 0 HB2 ALA A 30 3.189 -8.589 -0.914 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.572 -7.246 0.077 1.00 0.00 H new ATOM 417 N SER A 31 4.950 -4.724 -1.806 1.00 0.00 N ATOM 418 CA SER A 31 4.931 -3.269 -1.896 1.00 0.00 C ATOM 419 C SER A 31 4.249 -2.813 -3.182 1.00 0.00 C ATOM 420 O SER A 31 4.157 -3.567 -4.151 1.00 0.00 O ATOM 421 CB SER A 31 6.356 -2.715 -1.837 1.00 0.00 C ATOM 422 OG SER A 31 7.100 -3.098 -2.980 1.00 0.00 O ATOM 0 H SER A 31 5.415 -5.189 -2.586 1.00 0.00 H new ATOM 0 HA SER A 31 4.364 -2.884 -1.048 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.324 -1.628 -1.768 1.00 0.00 H new ATOM 0 HB3 SER A 31 6.853 -3.077 -0.937 1.00 0.00 H new ATOM 0 HG SER A 31 8.006 -2.730 -2.919 1.00 0.00 H new ATOM 428 N PHE A 32 3.772 -1.572 -3.184 1.00 0.00 N ATOM 429 CA PHE A 32 3.097 -1.015 -4.350 1.00 0.00 C ATOM 430 C PHE A 32 3.496 0.443 -4.564 1.00 0.00 C ATOM 431 O PHE A 32 4.042 1.086 -3.668 1.00 0.00 O ATOM 432 CB PHE A 32 1.579 -1.121 -4.186 1.00 0.00 C ATOM 433 CG PHE A 32 1.064 -0.466 -2.937 1.00 0.00 C ATOM 434 CD1 PHE A 32 0.732 0.879 -2.930 1.00 0.00 C ATOM 435 CD2 PHE A 32 0.912 -1.196 -1.768 1.00 0.00 C ATOM 436 CE1 PHE A 32 0.257 1.485 -1.781 1.00 0.00 C ATOM 437 CE2 PHE A 32 0.437 -0.596 -0.617 1.00 0.00 C ATOM 438 CZ PHE A 32 0.111 0.746 -0.624 1.00 0.00 C ATOM 0 H PHE A 32 3.841 -0.934 -2.391 1.00 0.00 H new ATOM 0 HA PHE A 32 3.402 -1.590 -5.225 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.096 -0.667 -5.051 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.295 -2.173 -4.178 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.845 1.461 -3.832 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.168 -2.245 -1.757 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.001 2.534 -1.789 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.321 -1.176 0.287 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.258 1.217 0.275 1.00 0.00 H new ATOM 448 N ALA A 33 3.220 0.956 -5.758 1.00 0.00 N ATOM 449 CA ALA A 33 3.548 2.337 -6.090 1.00 0.00 C ATOM 450 C ALA A 33 2.293 3.202 -6.146 1.00 0.00 C ATOM 451 O ALA A 33 1.186 2.694 -6.324 1.00 0.00 O ATOM 452 CB ALA A 33 4.293 2.398 -7.416 1.00 0.00 C ATOM 0 H ALA A 33 2.770 0.436 -6.512 1.00 0.00 H new ATOM 0 HA ALA A 33 4.193 2.730 -5.304 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.532 3.435 -7.652 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.215 1.821 -7.342 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.667 1.982 -8.205 1.00 0.00 H new ATOM 458 N ILE A 34 2.474 4.509 -5.992 1.00 0.00 N ATOM 459 CA ILE A 34 1.355 5.443 -6.025 1.00 0.00 C ATOM 460 C ILE A 34 1.625 6.589 -6.994 1.00 0.00 C ATOM 461 O ILE A 34 2.487 7.433 -6.748 1.00 0.00 O ATOM 462 CB ILE A 34 1.065 6.024 -4.628 1.00 0.00 C ATOM 463 CG1 ILE A 34 0.900 4.896 -3.607 1.00 0.00 C ATOM 464 CG2 ILE A 34 -0.179 6.899 -4.666 1.00 0.00 C ATOM 465 CD1 ILE A 34 1.075 5.348 -2.174 1.00 0.00 C ATOM 0 H ILE A 34 3.384 4.945 -5.843 1.00 0.00 H new ATOM 0 HA ILE A 34 0.484 4.881 -6.363 1.00 0.00 H new ATOM 0 HB ILE A 34 1.910 6.642 -4.325 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.090 4.455 -3.722 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.626 4.112 -3.823 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.371 7.302 -3.672 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.025 7.720 -5.367 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.033 6.303 -4.987 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.944 4.497 -1.506 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.074 5.763 -2.043 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.332 6.111 -1.940 1.00 0.00 H new ATOM 477 N ARG A 35 0.881 6.614 -8.095 1.00 0.00 N ATOM 478 CA ARG A 35 1.040 7.657 -9.101 1.00 0.00 C ATOM 479 C ARG A 35 0.473 8.983 -8.603 1.00 0.00 C ATOM 480 O ARG A 35 -0.581 9.020 -7.966 1.00 0.00 O ATOM 481 CB ARG A 35 0.346 7.250 -10.402 1.00 0.00 C ATOM 482 CG ARG A 35 -0.088 8.430 -11.256 1.00 0.00 C ATOM 483 CD ARG A 35 -0.070 8.083 -12.736 1.00 0.00 C ATOM 484 NE ARG A 35 -0.360 9.244 -13.574 1.00 0.00 N ATOM 485 CZ ARG A 35 -0.075 9.305 -14.870 1.00 0.00 C ATOM 486 NH1 ARG A 35 0.505 8.276 -15.473 1.00 0.00 N ATOM 487 NH2 ARG A 35 -0.369 10.396 -15.565 1.00 0.00 N ATOM 0 H ARG A 35 0.162 5.924 -8.313 1.00 0.00 H new ATOM 0 HA ARG A 35 2.106 7.785 -9.290 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.021 6.621 -10.983 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.528 6.644 -10.163 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -1.092 8.741 -10.966 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.573 9.277 -11.072 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.907 7.679 -13.002 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.803 7.301 -12.934 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.806 10.052 -13.140 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.733 7.436 -14.942 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.723 8.325 -16.468 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.814 11.190 -15.104 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.150 10.441 -16.560 1.00 0.00 H new ATOM 501 N LEU A 36 1.179 10.070 -8.896 1.00 0.00 N ATOM 502 CA LEU A 36 0.747 11.399 -8.477 1.00 0.00 C ATOM 503 C LEU A 36 0.505 12.298 -9.685 1.00 0.00 C ATOM 504 O LEU A 36 1.415 12.555 -10.473 1.00 0.00 O ATOM 505 CB LEU A 36 1.793 12.031 -7.558 1.00 0.00 C ATOM 506 CG LEU A 36 2.241 11.182 -6.368 1.00 0.00 C ATOM 507 CD1 LEU A 36 3.357 11.880 -5.605 1.00 0.00 C ATOM 508 CD2 LEU A 36 1.065 10.891 -5.448 1.00 0.00 C ATOM 0 H LEU A 36 2.053 10.057 -9.422 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.191 11.294 -7.931 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.671 12.276 -8.155 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.393 12.971 -7.178 1.00 0.00 H new ATOM 0 HG LEU A 36 2.624 10.234 -6.746 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.663 11.261 -4.761 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.208 12.037 -6.268 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.000 12.843 -5.238 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.402 10.286 -4.607 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.652 11.829 -5.078 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.297 10.349 -6.000 1.00 0.00 H new ATOM 520 N ASN A 37 -0.728 12.775 -9.824 1.00 0.00 N ATOM 521 CA ASN A 37 -1.089 13.648 -10.935 1.00 0.00 C ATOM 522 C ASN A 37 -0.769 15.103 -10.611 1.00 0.00 C ATOM 523 O ASN A 37 -1.375 16.021 -11.162 1.00 0.00 O ATOM 524 CB ASN A 37 -2.577 13.502 -11.262 1.00 0.00 C ATOM 525 CG ASN A 37 -2.879 12.229 -12.028 1.00 0.00 C ATOM 526 OD1 ASN A 37 -2.966 12.235 -13.256 1.00 0.00 O ATOM 527 ND2 ASN A 37 -3.041 11.127 -11.304 1.00 0.00 N ATOM 0 H ASN A 37 -1.494 12.572 -9.181 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.501 13.351 -11.803 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -3.152 13.511 -10.336 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.903 14.361 -11.848 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.246 10.240 -11.764 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -2.960 11.168 -10.288 1.00 0.00 H new ATOM 534 N GLY A 38 0.190 15.306 -9.712 1.00 0.00 N ATOM 535 CA GLY A 38 0.576 16.652 -9.330 1.00 0.00 C ATOM 536 C GLY A 38 -0.002 17.062 -7.989 1.00 0.00 C ATOM 537 O GLY A 38 -0.243 18.244 -7.745 1.00 0.00 O ATOM 0 H GLY A 38 0.706 14.562 -9.242 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.663 16.717 -9.289 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.243 17.353 -10.095 1.00 0.00 H new ATOM 541 N ALA A 39 -0.227 16.083 -7.119 1.00 0.00 N ATOM 542 CA ALA A 39 -0.779 16.348 -5.797 1.00 0.00 C ATOM 543 C ALA A 39 0.313 16.337 -4.733 1.00 0.00 C ATOM 544 O ALA A 39 0.976 15.322 -4.519 1.00 0.00 O ATOM 545 CB ALA A 39 -1.856 15.327 -5.461 1.00 0.00 C ATOM 0 H ALA A 39 -0.035 15.099 -7.306 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.226 17.342 -5.810 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.260 15.537 -4.471 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.656 15.386 -6.199 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.425 14.326 -5.472 1.00 0.00 H new ATOM 551 N LYS A 40 0.497 17.474 -4.069 1.00 0.00 N ATOM 552 CA LYS A 40 1.509 17.596 -3.026 1.00 0.00 C ATOM 553 C LYS A 40 0.861 17.714 -1.651 1.00 0.00 C ATOM 554 O LYS A 40 -0.338 17.963 -1.538 1.00 0.00 O ATOM 555 CB LYS A 40 2.397 18.814 -3.290 1.00 0.00 C ATOM 556 CG LYS A 40 3.389 18.610 -4.422 1.00 0.00 C ATOM 557 CD LYS A 40 4.514 17.674 -4.016 1.00 0.00 C ATOM 558 CE LYS A 40 5.058 16.905 -5.210 1.00 0.00 C ATOM 559 NZ LYS A 40 6.487 16.530 -5.025 1.00 0.00 N ATOM 0 H LYS A 40 -0.042 18.324 -4.235 1.00 0.00 H new ATOM 0 HA LYS A 40 2.123 16.696 -3.042 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.764 19.671 -3.523 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.943 19.059 -2.379 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.872 18.203 -5.291 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.805 19.572 -4.720 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.318 18.248 -3.555 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.152 16.972 -3.265 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.463 16.004 -5.363 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.955 17.512 -6.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.820 16.008 -5.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 7.059 17.390 -4.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.582 15.930 -4.181 1.00 0.00 H new ATOM 573 N GLY A 41 1.664 17.535 -0.606 1.00 0.00 N ATOM 574 CA GLY A 41 1.150 17.626 0.748 1.00 0.00 C ATOM 575 C GLY A 41 1.725 16.560 1.660 1.00 0.00 C ATOM 576 O GLY A 41 2.901 16.609 2.022 1.00 0.00 O ATOM 0 H GLY A 41 2.661 17.329 -0.673 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.380 18.611 1.155 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.064 17.535 0.728 1.00 0.00 H new ATOM 580 N LYS A 42 0.894 15.593 2.034 1.00 0.00 N ATOM 581 CA LYS A 42 1.324 14.509 2.909 1.00 0.00 C ATOM 582 C LYS A 42 0.787 13.168 2.419 1.00 0.00 C ATOM 583 O LYS A 42 -0.307 13.095 1.859 1.00 0.00 O ATOM 584 CB LYS A 42 0.853 14.766 4.342 1.00 0.00 C ATOM 585 CG LYS A 42 1.278 13.688 5.324 1.00 0.00 C ATOM 586 CD LYS A 42 1.319 14.216 6.749 1.00 0.00 C ATOM 587 CE LYS A 42 1.446 13.086 7.759 1.00 0.00 C ATOM 588 NZ LYS A 42 1.323 13.577 9.159 1.00 0.00 N ATOM 0 H LYS A 42 -0.082 15.538 1.744 1.00 0.00 H new ATOM 0 HA LYS A 42 2.413 14.472 2.892 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.245 15.726 4.678 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.234 14.845 4.350 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.585 12.848 5.266 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.262 13.310 5.047 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.160 14.901 6.860 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.413 14.787 6.953 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.676 12.339 7.567 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.409 12.591 7.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.415 12.777 9.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.074 14.271 9.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.394 14.027 9.289 1.00 0.00 H new ATOM 602 N ILE A 43 1.562 12.111 2.635 1.00 0.00 N ATOM 603 CA ILE A 43 1.162 10.773 2.217 1.00 0.00 C ATOM 604 C ILE A 43 1.067 9.830 3.412 1.00 0.00 C ATOM 605 O ILE A 43 1.984 9.752 4.229 1.00 0.00 O ATOM 606 CB ILE A 43 2.149 10.185 1.191 1.00 0.00 C ATOM 607 CG1 ILE A 43 2.204 11.066 -0.059 1.00 0.00 C ATOM 608 CG2 ILE A 43 1.749 8.763 0.826 1.00 0.00 C ATOM 609 CD1 ILE A 43 3.377 10.760 -0.963 1.00 0.00 C ATOM 0 H ILE A 43 2.470 12.155 3.097 1.00 0.00 H new ATOM 0 HA ILE A 43 0.181 10.868 1.752 1.00 0.00 H new ATOM 0 HB ILE A 43 3.143 10.159 1.638 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.279 10.941 -0.622 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.253 12.112 0.245 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.456 8.361 0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.756 8.142 1.722 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.748 8.766 0.394 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.352 11.422 -1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.307 10.913 -0.416 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.318 9.724 -1.297 1.00 0.00 H new ATOM 621 N ASP A 44 -0.048 9.114 3.506 1.00 0.00 N ATOM 622 CA ASP A 44 -0.263 8.173 4.599 1.00 0.00 C ATOM 623 C ASP A 44 -0.688 6.809 4.066 1.00 0.00 C ATOM 624 O ASP A 44 -1.608 6.707 3.254 1.00 0.00 O ATOM 625 CB ASP A 44 -1.323 8.711 5.562 1.00 0.00 C ATOM 626 CG ASP A 44 -0.788 9.814 6.454 1.00 0.00 C ATOM 627 OD1 ASP A 44 0.430 9.814 6.732 1.00 0.00 O ATOM 628 OD2 ASP A 44 -1.587 10.677 6.874 1.00 0.00 O ATOM 0 H ASP A 44 -0.817 9.167 2.838 1.00 0.00 H new ATOM 0 HA ASP A 44 0.679 8.056 5.136 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.171 9.089 4.990 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -1.695 7.895 6.181 1.00 0.00 H new ATOM 633 N ALA A 45 -0.011 5.762 4.527 1.00 0.00 N ATOM 634 CA ALA A 45 -0.319 4.404 4.097 1.00 0.00 C ATOM 635 C ALA A 45 -0.197 3.420 5.256 1.00 0.00 C ATOM 636 O ALA A 45 0.903 3.130 5.725 1.00 0.00 O ATOM 637 CB ALA A 45 0.596 3.991 2.953 1.00 0.00 C ATOM 0 H ALA A 45 0.754 5.829 5.198 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.351 4.386 3.746 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.354 2.975 2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.456 4.670 2.112 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.634 4.032 3.284 1.00 0.00 H new ATOM 643 N LYS A 46 -1.335 2.910 5.714 1.00 0.00 N ATOM 644 CA LYS A 46 -1.357 1.958 6.819 1.00 0.00 C ATOM 645 C LYS A 46 -2.182 0.726 6.459 1.00 0.00 C ATOM 646 O LYS A 46 -3.082 0.792 5.623 1.00 0.00 O ATOM 647 CB LYS A 46 -1.927 2.617 8.077 1.00 0.00 C ATOM 648 CG LYS A 46 -0.890 3.371 8.891 1.00 0.00 C ATOM 649 CD LYS A 46 -1.542 4.269 9.930 1.00 0.00 C ATOM 650 CE LYS A 46 -0.655 4.441 11.153 1.00 0.00 C ATOM 651 NZ LYS A 46 -1.073 5.605 11.982 1.00 0.00 N ATOM 0 H LYS A 46 -2.255 3.140 5.337 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.332 1.643 7.015 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.721 3.306 7.788 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.382 1.851 8.704 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.228 2.661 9.386 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.271 3.973 8.226 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.750 5.244 9.490 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.500 3.844 10.231 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.689 3.534 11.757 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.379 4.574 10.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.444 5.688 12.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.016 6.474 11.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.051 5.467 12.306 1.00 0.00 H new ATOM 665 N VAL A 47 -1.869 -0.397 7.098 1.00 0.00 N ATOM 666 CA VAL A 47 -2.583 -1.643 6.847 1.00 0.00 C ATOM 667 C VAL A 47 -3.543 -1.966 7.987 1.00 0.00 C ATOM 668 O VAL A 47 -3.155 -1.975 9.156 1.00 0.00 O ATOM 669 CB VAL A 47 -1.608 -2.822 6.662 1.00 0.00 C ATOM 670 CG1 VAL A 47 -0.791 -3.042 7.926 1.00 0.00 C ATOM 671 CG2 VAL A 47 -2.366 -4.084 6.280 1.00 0.00 C ATOM 0 H VAL A 47 -1.126 -0.469 7.793 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.150 -1.502 5.927 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.920 -2.580 5.852 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.108 -3.878 7.777 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.219 -2.142 8.151 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.460 -3.264 8.758 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.662 -4.907 6.153 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.078 -4.333 7.067 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.902 -3.918 5.346 1.00 0.00 H new ATOM 681 N HIS A 48 -4.798 -2.231 7.639 1.00 0.00 N ATOM 682 CA HIS A 48 -5.814 -2.556 8.634 1.00 0.00 C ATOM 683 C HIS A 48 -6.042 -4.062 8.706 1.00 0.00 C ATOM 684 O HIS A 48 -5.795 -4.784 7.740 1.00 0.00 O ATOM 685 CB HIS A 48 -7.127 -1.845 8.303 1.00 0.00 C ATOM 686 CG HIS A 48 -7.049 -0.354 8.430 1.00 0.00 C ATOM 687 ND1 HIS A 48 -7.456 0.327 9.557 1.00 0.00 N ATOM 688 CD2 HIS A 48 -6.607 0.586 7.563 1.00 0.00 C ATOM 689 CE1 HIS A 48 -7.269 1.623 9.378 1.00 0.00 C ATOM 690 NE2 HIS A 48 -6.754 1.806 8.175 1.00 0.00 N ATOM 0 H HIS A 48 -5.136 -2.227 6.677 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.458 -2.214 9.606 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -7.422 -2.100 7.285 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -7.909 -2.217 8.964 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -7.841 -0.102 10.398 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -6.212 0.409 6.573 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -7.498 2.400 10.093 1.00 0.00 H new ATOM 698 N SER A 49 -6.515 -4.530 9.857 1.00 0.00 N ATOM 699 CA SER A 49 -6.772 -5.952 10.056 1.00 0.00 C ATOM 700 C SER A 49 -8.076 -6.166 10.818 1.00 0.00 C ATOM 701 O SER A 49 -8.466 -5.368 11.670 1.00 0.00 O ATOM 702 CB SER A 49 -5.612 -6.600 10.815 1.00 0.00 C ATOM 703 OG SER A 49 -5.382 -5.944 12.050 1.00 0.00 O ATOM 0 H SER A 49 -6.728 -3.946 10.665 1.00 0.00 H new ATOM 0 HA SER A 49 -6.863 -6.421 9.076 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.833 -7.652 10.994 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.709 -6.563 10.206 1.00 0.00 H new ATOM 0 HG SER A 49 -5.071 -5.030 11.882 1.00 0.00 H new ATOM 709 N PRO A 50 -8.769 -7.272 10.504 1.00 0.00 N ATOM 710 CA PRO A 50 -10.040 -7.619 11.147 1.00 0.00 C ATOM 711 C PRO A 50 -9.859 -8.027 12.605 1.00 0.00 C ATOM 712 O PRO A 50 -10.835 -8.216 13.331 1.00 0.00 O ATOM 713 CB PRO A 50 -10.545 -8.802 10.318 1.00 0.00 C ATOM 714 CG PRO A 50 -9.315 -9.408 9.734 1.00 0.00 C ATOM 715 CD PRO A 50 -8.364 -8.268 9.498 1.00 0.00 C ATOM 0 HA PRO A 50 -10.729 -6.775 11.172 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.083 -9.519 10.938 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -11.233 -8.474 9.539 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -8.882 -10.143 10.412 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.540 -9.928 8.803 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.327 -8.576 9.632 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -8.452 -7.875 8.485 1.00 0.00 H new ATOM 723 N SER A 51 -8.606 -8.161 13.026 1.00 0.00 N ATOM 724 CA SER A 51 -8.298 -8.550 14.397 1.00 0.00 C ATOM 725 C SER A 51 -8.358 -7.345 15.331 1.00 0.00 C ATOM 726 O SER A 51 -8.497 -7.492 16.545 1.00 0.00 O ATOM 727 CB SER A 51 -6.913 -9.195 14.468 1.00 0.00 C ATOM 728 OG SER A 51 -6.953 -10.540 14.024 1.00 0.00 O ATOM 0 H SER A 51 -7.787 -8.006 12.438 1.00 0.00 H new ATOM 0 HA SER A 51 -9.046 -9.275 14.719 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.212 -8.627 13.856 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.543 -9.158 15.493 1.00 0.00 H new ATOM 0 HG SER A 51 -6.055 -10.929 14.078 1.00 0.00 H new ATOM 734 N GLY A 52 -8.253 -6.151 14.754 1.00 0.00 N ATOM 735 CA GLY A 52 -8.298 -4.937 15.548 1.00 0.00 C ATOM 736 C GLY A 52 -6.927 -4.317 15.736 1.00 0.00 C ATOM 737 O GLY A 52 -6.673 -3.650 16.738 1.00 0.00 O ATOM 0 H GLY A 52 -8.138 -6.003 13.751 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.957 -4.215 15.066 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.730 -5.160 16.524 1.00 0.00 H new ATOM 741 N ALA A 53 -6.042 -4.539 14.770 1.00 0.00 N ATOM 742 CA ALA A 53 -4.690 -3.996 14.834 1.00 0.00 C ATOM 743 C ALA A 53 -4.393 -3.120 13.622 1.00 0.00 C ATOM 744 O ALA A 53 -4.883 -3.376 12.522 1.00 0.00 O ATOM 745 CB ALA A 53 -3.673 -5.123 14.934 1.00 0.00 C ATOM 0 H ALA A 53 -6.236 -5.091 13.934 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.616 -3.374 15.726 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.668 -4.703 14.981 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.865 -5.707 15.834 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.757 -5.767 14.059 1.00 0.00 H new ATOM 751 N VAL A 54 -3.588 -2.083 13.830 1.00 0.00 N ATOM 752 CA VAL A 54 -3.226 -1.168 12.755 1.00 0.00 C ATOM 753 C VAL A 54 -1.712 -1.037 12.631 1.00 0.00 C ATOM 754 O VAL A 54 -1.063 -0.409 13.467 1.00 0.00 O ATOM 755 CB VAL A 54 -3.834 0.230 12.977 1.00 0.00 C ATOM 756 CG1 VAL A 54 -3.397 1.184 11.876 1.00 0.00 C ATOM 757 CG2 VAL A 54 -5.351 0.145 13.049 1.00 0.00 C ATOM 0 H VAL A 54 -3.174 -1.856 14.734 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.629 -1.589 11.834 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.469 0.619 13.927 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.836 2.166 12.050 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.310 1.267 11.877 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.731 0.803 10.911 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.764 1.141 13.206 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.737 -0.265 12.116 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.640 -0.502 13.877 1.00 0.00 H new ATOM 767 N GLU A 55 -1.155 -1.635 11.582 1.00 0.00 N ATOM 768 CA GLU A 55 0.283 -1.585 11.350 1.00 0.00 C ATOM 769 C GLU A 55 0.640 -0.461 10.382 1.00 0.00 C ATOM 770 O GLU A 55 -0.212 0.025 9.639 1.00 0.00 O ATOM 771 CB GLU A 55 0.780 -2.924 10.799 1.00 0.00 C ATOM 772 CG GLU A 55 1.200 -3.908 11.878 1.00 0.00 C ATOM 773 CD GLU A 55 0.124 -4.121 12.924 1.00 0.00 C ATOM 774 OE1 GLU A 55 -1.069 -4.130 12.554 1.00 0.00 O ATOM 775 OE2 GLU A 55 0.473 -4.278 14.113 1.00 0.00 O ATOM 0 H GLU A 55 -1.678 -2.159 10.880 1.00 0.00 H new ATOM 0 HA GLU A 55 0.772 -1.388 12.304 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.008 -3.374 10.196 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.625 -2.743 10.135 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.447 -4.864 11.416 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.106 -3.545 12.363 1.00 0.00 H new ATOM 782 N GLU A 56 1.905 -0.052 10.398 1.00 0.00 N ATOM 783 CA GLU A 56 2.373 1.016 9.523 1.00 0.00 C ATOM 784 C GLU A 56 3.254 0.459 8.408 1.00 0.00 C ATOM 785 O GLU A 56 4.179 -0.313 8.661 1.00 0.00 O ATOM 786 CB GLU A 56 3.150 2.061 10.327 1.00 0.00 C ATOM 787 CG GLU A 56 3.079 3.459 9.737 1.00 0.00 C ATOM 788 CD GLU A 56 3.819 4.484 10.575 1.00 0.00 C ATOM 789 OE1 GLU A 56 3.235 4.978 11.562 1.00 0.00 O ATOM 790 OE2 GLU A 56 4.983 4.791 10.243 1.00 0.00 O ATOM 0 H GLU A 56 2.623 -0.444 11.007 1.00 0.00 H new ATOM 0 HA GLU A 56 1.501 1.489 9.072 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.762 2.085 11.345 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.194 1.755 10.391 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.498 3.447 8.731 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.035 3.757 9.643 1.00 0.00 H new ATOM 797 N CYS A 57 2.958 0.855 7.175 1.00 0.00 N ATOM 798 CA CYS A 57 3.721 0.395 6.020 1.00 0.00 C ATOM 799 C CYS A 57 4.891 1.331 5.734 1.00 0.00 C ATOM 800 O CYS A 57 4.792 2.543 5.926 1.00 0.00 O ATOM 801 CB CYS A 57 2.817 0.299 4.791 1.00 0.00 C ATOM 802 SG CYS A 57 1.305 -0.656 5.059 1.00 0.00 S ATOM 0 H CYS A 57 2.195 1.493 6.949 1.00 0.00 H new ATOM 0 HA CYS A 57 4.118 -0.594 6.248 1.00 0.00 H new ATOM 0 HB2 CYS A 57 2.546 1.306 4.473 1.00 0.00 H new ATOM 0 HB3 CYS A 57 3.379 -0.153 3.974 1.00 0.00 H new ATOM 0 HG CYS A 57 0.606 -0.678 3.963 1.00 0.00 H new ATOM 808 N HIS A 58 6.001 0.759 5.276 1.00 0.00 N ATOM 809 CA HIS A 58 7.191 1.542 4.965 1.00 0.00 C ATOM 810 C HIS A 58 6.959 2.419 3.738 1.00 0.00 C ATOM 811 O HIS A 58 6.700 1.917 2.644 1.00 0.00 O ATOM 812 CB HIS A 58 8.387 0.619 4.728 1.00 0.00 C ATOM 813 CG HIS A 58 9.593 1.327 4.191 1.00 0.00 C ATOM 814 ND1 HIS A 58 10.268 2.302 4.893 1.00 0.00 N ATOM 815 CD2 HIS A 58 10.245 1.194 3.012 1.00 0.00 C ATOM 816 CE1 HIS A 58 11.282 2.740 4.169 1.00 0.00 C ATOM 817 NE2 HIS A 58 11.291 2.084 3.023 1.00 0.00 N ATOM 0 H HIS A 58 6.100 -0.243 5.112 1.00 0.00 H new ATOM 0 HA HIS A 58 7.404 2.188 5.817 1.00 0.00 H new ATOM 0 HB2 HIS A 58 8.650 0.131 5.666 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.097 -0.167 4.031 1.00 0.00 H new ATOM 0 HD2 HIS A 58 9.990 0.515 2.212 1.00 0.00 H new ATOM 0 HE1 HIS A 58 11.985 3.505 4.464 1.00 0.00 H new ATOM 0 HE2 HIS A 58 11.965 2.217 2.269 1.00 0.00 H new ATOM 825 N VAL A 59 7.054 3.731 3.928 1.00 0.00 N ATOM 826 CA VAL A 59 6.855 4.678 2.837 1.00 0.00 C ATOM 827 C VAL A 59 8.135 5.449 2.538 1.00 0.00 C ATOM 828 O VAL A 59 8.624 6.209 3.373 1.00 0.00 O ATOM 829 CB VAL A 59 5.730 5.679 3.160 1.00 0.00 C ATOM 830 CG1 VAL A 59 5.524 6.644 2.003 1.00 0.00 C ATOM 831 CG2 VAL A 59 4.439 4.942 3.486 1.00 0.00 C ATOM 0 H VAL A 59 7.268 4.162 4.827 1.00 0.00 H new ATOM 0 HA VAL A 59 6.572 4.095 1.961 1.00 0.00 H new ATOM 0 HB VAL A 59 6.023 6.258 4.036 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.725 7.343 2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 59 6.446 7.196 1.821 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.253 6.085 1.107 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.655 5.664 3.712 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.140 4.337 2.630 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.597 4.296 4.350 1.00 0.00 H new ATOM 841 N SER A 60 8.675 5.248 1.339 1.00 0.00 N ATOM 842 CA SER A 60 9.901 5.922 0.930 1.00 0.00 C ATOM 843 C SER A 60 9.673 6.747 -0.333 1.00 0.00 C ATOM 844 O SER A 60 9.032 6.289 -1.278 1.00 0.00 O ATOM 845 CB SER A 60 11.014 4.900 0.691 1.00 0.00 C ATOM 846 OG SER A 60 10.850 4.249 -0.557 1.00 0.00 O ATOM 0 H SER A 60 8.282 4.624 0.635 1.00 0.00 H new ATOM 0 HA SER A 60 10.201 6.595 1.733 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.983 5.399 0.720 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.012 4.162 1.493 1.00 0.00 H new ATOM 0 HG SER A 60 11.575 3.602 -0.686 1.00 0.00 H new ATOM 852 N GLU A 61 10.201 7.967 -0.339 1.00 0.00 N ATOM 853 CA GLU A 61 10.054 8.856 -1.485 1.00 0.00 C ATOM 854 C GLU A 61 11.229 8.704 -2.447 1.00 0.00 C ATOM 855 O GLU A 61 12.346 9.133 -2.153 1.00 0.00 O ATOM 856 CB GLU A 61 9.947 10.310 -1.020 1.00 0.00 C ATOM 857 CG GLU A 61 9.823 11.306 -2.161 1.00 0.00 C ATOM 858 CD GLU A 61 9.855 12.745 -1.684 1.00 0.00 C ATOM 859 OE1 GLU A 61 9.398 13.005 -0.551 1.00 0.00 O ATOM 860 OE2 GLU A 61 10.337 13.612 -2.443 1.00 0.00 O ATOM 0 H GLU A 61 10.734 8.362 0.436 1.00 0.00 H new ATOM 0 HA GLU A 61 9.139 8.581 -2.010 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.081 10.411 -0.365 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.826 10.558 -0.426 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.635 11.144 -2.870 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.891 11.125 -2.697 1.00 0.00 H new ATOM 867 N LEU A 62 10.970 8.090 -3.596 1.00 0.00 N ATOM 868 CA LEU A 62 12.005 7.879 -4.602 1.00 0.00 C ATOM 869 C LEU A 62 11.876 8.891 -5.736 1.00 0.00 C ATOM 870 O LEU A 62 12.868 9.465 -6.184 1.00 0.00 O ATOM 871 CB LEU A 62 11.921 6.457 -5.159 1.00 0.00 C ATOM 872 CG LEU A 62 11.674 5.348 -4.135 1.00 0.00 C ATOM 873 CD1 LEU A 62 11.411 4.024 -4.835 1.00 0.00 C ATOM 874 CD2 LEU A 62 12.857 5.226 -3.186 1.00 0.00 C ATOM 0 H LEU A 62 10.052 7.729 -3.854 1.00 0.00 H new ATOM 0 HA LEU A 62 12.975 8.018 -4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 62 11.122 6.425 -5.899 1.00 0.00 H new ATOM 0 HB3 LEU A 62 12.851 6.239 -5.684 1.00 0.00 H new ATOM 0 HG LEU A 62 10.791 5.608 -3.552 1.00 0.00 H new ATOM 0 HD11 LEU A 62 11.238 3.247 -4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 62 10.532 4.118 -5.473 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.275 3.757 -5.444 1.00 0.00 H new ATOM 0 HD21 LEU A 62 12.664 4.432 -2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 62 13.756 4.989 -3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.999 6.169 -2.659 1.00 0.00 H new ATOM 886 N GLU A 63 10.646 9.105 -6.194 1.00 0.00 N ATOM 887 CA GLU A 63 10.388 10.048 -7.275 1.00 0.00 C ATOM 888 C GLU A 63 9.360 11.093 -6.851 1.00 0.00 C ATOM 889 O GLU A 63 8.482 10.838 -6.027 1.00 0.00 O ATOM 890 CB GLU A 63 9.896 9.309 -8.521 1.00 0.00 C ATOM 891 CG GLU A 63 10.449 7.899 -8.650 1.00 0.00 C ATOM 892 CD GLU A 63 11.882 7.878 -9.144 1.00 0.00 C ATOM 893 OE1 GLU A 63 12.757 8.438 -8.450 1.00 0.00 O ATOM 894 OE2 GLU A 63 12.130 7.303 -10.225 1.00 0.00 O ATOM 0 H GLU A 63 9.814 8.638 -5.833 1.00 0.00 H new ATOM 0 HA GLU A 63 11.323 10.557 -7.509 1.00 0.00 H new ATOM 0 HB2 GLU A 63 8.807 9.263 -8.500 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.173 9.882 -9.406 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.395 7.402 -7.682 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.823 7.329 -9.337 1.00 0.00 H new ATOM 901 N PRO A 64 9.471 12.300 -7.427 1.00 0.00 N ATOM 902 CA PRO A 64 8.561 13.408 -7.125 1.00 0.00 C ATOM 903 C PRO A 64 7.156 13.169 -7.669 1.00 0.00 C ATOM 904 O PRO A 64 6.223 13.906 -7.350 1.00 0.00 O ATOM 905 CB PRO A 64 9.210 14.603 -7.828 1.00 0.00 C ATOM 906 CG PRO A 64 10.012 14.003 -8.931 1.00 0.00 C ATOM 907 CD PRO A 64 10.494 12.674 -8.418 1.00 0.00 C ATOM 0 HA PRO A 64 8.431 13.547 -6.052 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.458 15.291 -8.214 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.840 15.171 -7.144 1.00 0.00 H new ATOM 0 HG2 PRO A 64 9.408 13.878 -9.830 1.00 0.00 H new ATOM 0 HG3 PRO A 64 10.851 14.646 -9.198 1.00 0.00 H new ATOM 0 HD2 PRO A 64 10.567 11.937 -9.218 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.482 12.752 -7.965 1.00 0.00 H new ATOM 915 N ASP A 65 7.014 12.136 -8.492 1.00 0.00 N ATOM 916 CA ASP A 65 5.722 11.799 -9.079 1.00 0.00 C ATOM 917 C ASP A 65 5.346 10.353 -8.773 1.00 0.00 C ATOM 918 O ASP A 65 4.254 9.898 -9.114 1.00 0.00 O ATOM 919 CB ASP A 65 5.752 12.022 -10.592 1.00 0.00 C ATOM 920 CG ASP A 65 5.575 13.480 -10.966 1.00 0.00 C ATOM 921 OD1 ASP A 65 4.421 13.957 -10.966 1.00 0.00 O ATOM 922 OD2 ASP A 65 6.591 14.145 -11.259 1.00 0.00 O ATOM 0 H ASP A 65 7.777 11.518 -8.768 1.00 0.00 H new ATOM 0 HA ASP A 65 4.969 12.452 -8.638 1.00 0.00 H new ATOM 0 HB2 ASP A 65 6.700 11.660 -10.991 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.963 11.432 -11.059 1.00 0.00 H new ATOM 927 N LYS A 66 6.259 9.634 -8.129 1.00 0.00 N ATOM 928 CA LYS A 66 6.025 8.238 -7.776 1.00 0.00 C ATOM 929 C LYS A 66 6.556 7.934 -6.379 1.00 0.00 C ATOM 930 O LYS A 66 7.555 8.509 -5.945 1.00 0.00 O ATOM 931 CB LYS A 66 6.689 7.314 -8.798 1.00 0.00 C ATOM 932 CG LYS A 66 6.013 5.959 -8.923 1.00 0.00 C ATOM 933 CD LYS A 66 6.785 5.034 -9.848 1.00 0.00 C ATOM 934 CE LYS A 66 6.445 3.574 -9.587 1.00 0.00 C ATOM 935 NZ LYS A 66 6.769 2.712 -10.757 1.00 0.00 N ATOM 0 H LYS A 66 7.168 9.995 -7.841 1.00 0.00 H new ATOM 0 HA LYS A 66 4.949 8.063 -7.783 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.687 7.803 -9.772 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.732 7.166 -8.518 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.928 5.501 -7.937 1.00 0.00 H new ATOM 0 HG3 LYS A 66 4.999 6.091 -9.302 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.558 5.282 -10.885 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.855 5.190 -9.710 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.995 3.223 -8.714 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.384 3.484 -9.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.523 1.725 -10.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.225 3.030 -11.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 7.786 2.777 -10.965 1.00 0.00 H new ATOM 949 N TYR A 67 5.885 7.026 -5.680 1.00 0.00 N ATOM 950 CA TYR A 67 6.289 6.646 -4.331 1.00 0.00 C ATOM 951 C TYR A 67 6.207 5.134 -4.144 1.00 0.00 C ATOM 952 O TYR A 67 5.504 4.444 -4.881 1.00 0.00 O ATOM 953 CB TYR A 67 5.410 7.349 -3.295 1.00 0.00 C ATOM 954 CG TYR A 67 5.764 8.804 -3.089 1.00 0.00 C ATOM 955 CD1 TYR A 67 5.555 9.740 -4.094 1.00 0.00 C ATOM 956 CD2 TYR A 67 6.307 9.244 -1.888 1.00 0.00 C ATOM 957 CE1 TYR A 67 5.877 11.071 -3.910 1.00 0.00 C ATOM 958 CE2 TYR A 67 6.631 10.573 -1.694 1.00 0.00 C ATOM 959 CZ TYR A 67 6.414 11.482 -2.708 1.00 0.00 C ATOM 960 OH TYR A 67 6.737 12.807 -2.520 1.00 0.00 O ATOM 0 H TYR A 67 5.058 6.539 -6.025 1.00 0.00 H new ATOM 0 HA TYR A 67 7.324 6.956 -4.188 1.00 0.00 H new ATOM 0 HB2 TYR A 67 4.368 7.278 -3.607 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.495 6.825 -2.343 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.133 9.422 -5.036 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.479 8.535 -1.092 1.00 0.00 H new ATOM 0 HE1 TYR A 67 5.709 11.785 -4.703 1.00 0.00 H new ATOM 0 HE2 TYR A 67 7.052 10.898 -0.754 1.00 0.00 H new ATOM 0 HH TYR A 67 7.103 12.930 -1.619 1.00 0.00 H new ATOM 970 N ALA A 68 6.930 4.628 -3.150 1.00 0.00 N ATOM 971 CA ALA A 68 6.938 3.199 -2.862 1.00 0.00 C ATOM 972 C ALA A 68 6.429 2.921 -1.452 1.00 0.00 C ATOM 973 O ALA A 68 6.813 3.598 -0.498 1.00 0.00 O ATOM 974 CB ALA A 68 8.338 2.632 -3.042 1.00 0.00 C ATOM 0 H ALA A 68 7.518 5.186 -2.531 1.00 0.00 H new ATOM 0 HA ALA A 68 6.266 2.708 -3.566 1.00 0.00 H new ATOM 0 HB1 ALA A 68 8.329 1.564 -2.824 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.665 2.789 -4.070 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.025 3.136 -2.362 1.00 0.00 H new ATOM 980 N VAL A 69 5.562 1.921 -1.327 1.00 0.00 N ATOM 981 CA VAL A 69 5.002 1.552 -0.032 1.00 0.00 C ATOM 982 C VAL A 69 5.021 0.041 0.165 1.00 0.00 C ATOM 983 O VAL A 69 4.259 -0.688 -0.470 1.00 0.00 O ATOM 984 CB VAL A 69 3.555 2.060 0.118 1.00 0.00 C ATOM 985 CG1 VAL A 69 2.995 1.684 1.481 1.00 0.00 C ATOM 986 CG2 VAL A 69 3.495 3.565 -0.095 1.00 0.00 C ATOM 0 H VAL A 69 5.232 1.352 -2.107 1.00 0.00 H new ATOM 0 HA VAL A 69 5.626 2.022 0.728 1.00 0.00 H new ATOM 0 HB VAL A 69 2.940 1.583 -0.645 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.972 2.051 1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 69 3.002 0.600 1.591 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.609 2.131 2.263 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.466 3.907 0.014 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.123 4.062 0.644 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.853 3.805 -1.096 1.00 0.00 H new ATOM 996 N ARG A 70 5.897 -0.424 1.050 1.00 0.00 N ATOM 997 CA ARG A 70 6.016 -1.849 1.331 1.00 0.00 C ATOM 998 C ARG A 70 5.190 -2.233 2.555 1.00 0.00 C ATOM 999 O ARG A 70 5.086 -1.466 3.513 1.00 0.00 O ATOM 1000 CB ARG A 70 7.482 -2.226 1.553 1.00 0.00 C ATOM 1001 CG ARG A 70 7.745 -3.721 1.473 1.00 0.00 C ATOM 1002 CD ARG A 70 7.597 -4.387 2.832 1.00 0.00 C ATOM 1003 NE ARG A 70 8.738 -4.116 3.702 1.00 0.00 N ATOM 1004 CZ ARG A 70 9.932 -4.675 3.543 1.00 0.00 C ATOM 1005 NH1 ARG A 70 10.141 -5.530 2.552 1.00 0.00 N ATOM 1006 NH2 ARG A 70 10.922 -4.378 4.376 1.00 0.00 N ATOM 0 H ARG A 70 6.535 0.166 1.585 1.00 0.00 H new ATOM 0 HA ARG A 70 5.633 -2.397 0.470 1.00 0.00 H new ATOM 0 HB2 ARG A 70 8.096 -1.717 0.810 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.798 -1.862 2.531 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.051 -4.176 0.766 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.750 -3.895 1.089 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.684 -4.034 3.311 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.491 -5.464 2.698 1.00 0.00 H new ATOM 0 HE ARG A 70 8.611 -3.462 4.474 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.384 -5.760 1.909 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.059 -5.958 2.433 1.00 0.00 H new ATOM 0 HH21 ARG A 70 10.766 -3.720 5.139 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.839 -4.808 4.253 1.00 0.00 H new ATOM 1020 N PHE A 71 4.604 -3.425 2.517 1.00 0.00 N ATOM 1021 CA PHE A 71 3.785 -3.910 3.622 1.00 0.00 C ATOM 1022 C PHE A 71 3.645 -5.429 3.569 1.00 0.00 C ATOM 1023 O PHE A 71 3.654 -6.026 2.493 1.00 0.00 O ATOM 1024 CB PHE A 71 2.402 -3.258 3.586 1.00 0.00 C ATOM 1025 CG PHE A 71 1.461 -3.902 2.609 1.00 0.00 C ATOM 1026 CD1 PHE A 71 1.514 -3.584 1.261 1.00 0.00 C ATOM 1027 CD2 PHE A 71 0.522 -4.826 3.038 1.00 0.00 C ATOM 1028 CE1 PHE A 71 0.650 -4.176 0.360 1.00 0.00 C ATOM 1029 CE2 PHE A 71 -0.345 -5.422 2.141 1.00 0.00 C ATOM 1030 CZ PHE A 71 -0.282 -5.095 0.801 1.00 0.00 C ATOM 0 H PHE A 71 4.681 -4.073 1.733 1.00 0.00 H new ATOM 0 HA PHE A 71 4.281 -3.640 4.554 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.963 -3.300 4.583 1.00 0.00 H new ATOM 0 HB3 PHE A 71 2.513 -2.204 3.331 1.00 0.00 H new ATOM 0 HD1 PHE A 71 2.239 -2.865 0.911 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.467 -5.084 4.085 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.703 -3.920 -0.688 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -1.071 -6.143 2.488 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.960 -5.557 0.099 1.00 0.00 H new ATOM 1040 N ILE A 72 3.516 -6.046 4.739 1.00 0.00 N ATOM 1041 CA ILE A 72 3.374 -7.494 4.826 1.00 0.00 C ATOM 1042 C ILE A 72 1.911 -7.894 4.990 1.00 0.00 C ATOM 1043 O ILE A 72 1.337 -7.810 6.075 1.00 0.00 O ATOM 1044 CB ILE A 72 4.186 -8.070 6.001 1.00 0.00 C ATOM 1045 CG1 ILE A 72 5.655 -7.658 5.885 1.00 0.00 C ATOM 1046 CG2 ILE A 72 4.056 -9.585 6.042 1.00 0.00 C ATOM 1047 CD1 ILE A 72 6.478 -8.004 7.106 1.00 0.00 C ATOM 0 H ILE A 72 3.507 -5.566 5.639 1.00 0.00 H new ATOM 0 HA ILE A 72 3.759 -7.905 3.893 1.00 0.00 H new ATOM 0 HB ILE A 72 3.788 -7.666 6.932 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.092 -8.144 5.013 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.710 -6.583 5.712 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.635 -9.977 6.878 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.008 -9.857 6.168 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.431 -10.008 5.110 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.508 -7.683 6.953 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.066 -7.497 7.978 1.00 0.00 H new ATOM 0 HD13 ILE A 72 6.454 -9.082 7.268 1.00 0.00 H new ATOM 1059 N PRO A 73 1.293 -8.341 3.886 1.00 0.00 N ATOM 1060 CA PRO A 73 -0.110 -8.765 3.882 1.00 0.00 C ATOM 1061 C PRO A 73 -0.325 -10.066 4.648 1.00 0.00 C ATOM 1062 O PRO A 73 -0.293 -11.152 4.068 1.00 0.00 O ATOM 1063 CB PRO A 73 -0.416 -8.963 2.395 1.00 0.00 C ATOM 1064 CG PRO A 73 0.905 -9.254 1.772 1.00 0.00 C ATOM 1065 CD PRO A 73 1.917 -8.467 2.558 1.00 0.00 C ATOM 0 HA PRO A 73 -0.757 -8.037 4.372 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.116 -9.784 2.241 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.870 -8.072 1.962 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.127 -10.321 1.808 1.00 0.00 H new ATOM 0 HG3 PRO A 73 0.914 -8.962 0.722 1.00 0.00 H new ATOM 0 HD2 PRO A 73 2.875 -8.984 2.611 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.106 -7.492 2.108 1.00 0.00 H new ATOM 1073 N HIS A 74 -0.544 -9.949 5.954 1.00 0.00 N ATOM 1074 CA HIS A 74 -0.766 -11.117 6.799 1.00 0.00 C ATOM 1075 C HIS A 74 -2.093 -11.005 7.544 1.00 0.00 C ATOM 1076 O HIS A 74 -2.212 -10.249 8.507 1.00 0.00 O ATOM 1077 CB HIS A 74 0.381 -11.275 7.797 1.00 0.00 C ATOM 1078 CG HIS A 74 0.872 -9.975 8.356 1.00 0.00 C ATOM 1079 ND1 HIS A 74 2.158 -9.792 8.819 1.00 0.00 N ATOM 1080 CD2 HIS A 74 0.242 -8.789 8.523 1.00 0.00 C ATOM 1081 CE1 HIS A 74 2.297 -8.551 9.249 1.00 0.00 C ATOM 1082 NE2 HIS A 74 1.149 -7.921 9.080 1.00 0.00 N ATOM 0 H HIS A 74 -0.572 -9.058 6.450 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.804 -11.997 6.157 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.052 -11.913 8.618 1.00 0.00 H new ATOM 0 HB3 HIS A 74 1.210 -11.787 7.308 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.783 -8.566 8.266 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.196 -8.124 9.668 1.00 0.00 H new ATOM 0 HE2 HIS A 74 0.966 -6.948 9.324 1.00 0.00 H new ATOM 1090 N GLU A 75 -3.086 -11.762 7.090 1.00 0.00 N ATOM 1091 CA GLU A 75 -4.405 -11.746 7.713 1.00 0.00 C ATOM 1092 C GLU A 75 -5.053 -13.125 7.651 1.00 0.00 C ATOM 1093 O GLU A 75 -4.489 -14.063 7.089 1.00 0.00 O ATOM 1094 CB GLU A 75 -5.304 -10.715 7.028 1.00 0.00 C ATOM 1095 CG GLU A 75 -4.985 -9.279 7.407 1.00 0.00 C ATOM 1096 CD GLU A 75 -5.991 -8.291 6.851 1.00 0.00 C ATOM 1097 OE1 GLU A 75 -7.190 -8.635 6.792 1.00 0.00 O ATOM 1098 OE2 GLU A 75 -5.580 -7.174 6.473 1.00 0.00 O ATOM 0 H GLU A 75 -3.003 -12.394 6.294 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.281 -11.470 8.760 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.211 -10.826 5.948 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.343 -10.926 7.282 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -4.958 -9.191 8.493 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.990 -9.023 7.042 1.00 0.00 H new ATOM 1105 N ASN A 76 -6.243 -13.240 8.233 1.00 0.00 N ATOM 1106 CA ASN A 76 -6.968 -14.505 8.246 1.00 0.00 C ATOM 1107 C ASN A 76 -8.149 -14.464 7.281 1.00 0.00 C ATOM 1108 O ASN A 76 -9.122 -15.200 7.442 1.00 0.00 O ATOM 1109 CB ASN A 76 -7.461 -14.821 9.659 1.00 0.00 C ATOM 1110 CG ASN A 76 -7.954 -13.586 10.389 1.00 0.00 C ATOM 1111 OD1 ASN A 76 -7.168 -12.846 10.981 1.00 0.00 O ATOM 1112 ND2 ASN A 76 -9.261 -13.358 10.350 1.00 0.00 N ATOM 0 H ASN A 76 -6.725 -12.473 8.701 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.284 -15.290 7.924 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -8.266 -15.553 9.605 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -6.652 -15.278 10.229 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -9.651 -12.543 10.823 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -9.876 -13.998 9.847 1.00 0.00 H new ATOM 1119 N GLY A 77 -8.056 -13.597 6.277 1.00 0.00 N ATOM 1120 CA GLY A 77 -9.123 -13.476 5.300 1.00 0.00 C ATOM 1121 C GLY A 77 -8.850 -12.394 4.274 1.00 0.00 C ATOM 1122 O GLY A 77 -7.990 -12.553 3.408 1.00 0.00 O ATOM 0 H GLY A 77 -7.261 -12.977 6.123 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.255 -14.431 4.790 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.059 -13.257 5.814 1.00 0.00 H new ATOM 1126 N VAL A 78 -9.585 -11.291 4.370 1.00 0.00 N ATOM 1127 CA VAL A 78 -9.419 -10.178 3.443 1.00 0.00 C ATOM 1128 C VAL A 78 -8.786 -8.976 4.135 1.00 0.00 C ATOM 1129 O VAL A 78 -9.100 -8.673 5.287 1.00 0.00 O ATOM 1130 CB VAL A 78 -10.766 -9.753 2.829 1.00 0.00 C ATOM 1131 CG1 VAL A 78 -10.584 -8.537 1.933 1.00 0.00 C ATOM 1132 CG2 VAL A 78 -11.387 -10.907 2.056 1.00 0.00 C ATOM 0 H VAL A 78 -10.302 -11.144 5.081 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.759 -10.524 2.648 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.444 -9.481 3.637 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.546 -8.251 1.508 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.186 -7.709 2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.889 -8.779 1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.338 -10.589 1.629 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.714 -11.212 1.255 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.555 -11.748 2.729 1.00 0.00 H new ATOM 1142 N HIS A 79 -7.893 -8.294 3.426 1.00 0.00 N ATOM 1143 CA HIS A 79 -7.215 -7.123 3.971 1.00 0.00 C ATOM 1144 C HIS A 79 -7.882 -5.837 3.491 1.00 0.00 C ATOM 1145 O HIS A 79 -8.604 -5.834 2.493 1.00 0.00 O ATOM 1146 CB HIS A 79 -5.740 -7.127 3.570 1.00 0.00 C ATOM 1147 CG HIS A 79 -5.079 -8.462 3.732 1.00 0.00 C ATOM 1148 ND1 HIS A 79 -3.937 -8.650 4.481 1.00 0.00 N ATOM 1149 CD2 HIS A 79 -5.407 -9.678 3.237 1.00 0.00 C ATOM 1150 CE1 HIS A 79 -3.590 -9.924 4.439 1.00 0.00 C ATOM 1151 NE2 HIS A 79 -4.467 -10.569 3.691 1.00 0.00 N ATOM 0 H HIS A 79 -7.622 -8.532 2.472 1.00 0.00 H new ATOM 0 HA HIS A 79 -7.287 -7.166 5.058 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -5.654 -6.812 2.530 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.206 -6.391 4.171 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -3.438 -7.919 4.988 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.251 -9.905 2.603 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -2.735 -10.363 4.932 1.00 0.00 H new ATOM 1159 N THR A 80 -7.636 -4.745 4.209 1.00 0.00 N ATOM 1160 CA THR A 80 -8.213 -3.454 3.857 1.00 0.00 C ATOM 1161 C THR A 80 -7.163 -2.350 3.909 1.00 0.00 C ATOM 1162 O THR A 80 -6.718 -1.954 4.986 1.00 0.00 O ATOM 1163 CB THR A 80 -9.377 -3.084 4.797 1.00 0.00 C ATOM 1164 OG1 THR A 80 -10.289 -4.183 4.902 1.00 0.00 O ATOM 1165 CG2 THR A 80 -10.113 -1.855 4.288 1.00 0.00 C ATOM 0 H THR A 80 -7.041 -4.730 5.037 1.00 0.00 H new ATOM 0 HA THR A 80 -8.592 -3.544 2.839 1.00 0.00 H new ATOM 0 HB THR A 80 -8.964 -2.859 5.780 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.025 -3.941 5.502 1.00 0.00 H new ATOM 0 HG21 THR A 80 -10.930 -1.613 4.967 1.00 0.00 H new ATOM 0 HG22 THR A 80 -9.423 -1.013 4.236 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.515 -2.057 3.295 1.00 0.00 H new ATOM 1173 N ILE A 81 -6.772 -1.857 2.739 1.00 0.00 N ATOM 1174 CA ILE A 81 -5.775 -0.797 2.652 1.00 0.00 C ATOM 1175 C ILE A 81 -6.403 0.570 2.903 1.00 0.00 C ATOM 1176 O ILE A 81 -7.498 0.860 2.420 1.00 0.00 O ATOM 1177 CB ILE A 81 -5.083 -0.786 1.276 1.00 0.00 C ATOM 1178 CG1 ILE A 81 -4.351 -2.109 1.039 1.00 0.00 C ATOM 1179 CG2 ILE A 81 -4.118 0.385 1.177 1.00 0.00 C ATOM 1180 CD1 ILE A 81 -3.795 -2.249 -0.361 1.00 0.00 C ATOM 0 H ILE A 81 -7.130 -2.174 1.838 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.031 -1.000 3.422 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.844 -0.670 0.504 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.535 -2.197 1.756 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.036 -2.934 1.233 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.637 0.379 0.199 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -4.665 1.319 1.306 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -3.359 0.298 1.955 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.290 -3.210 -0.457 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.609 -2.193 -1.083 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.085 -1.445 -0.552 1.00 0.00 H new ATOM 1192 N ASP A 82 -5.702 1.406 3.661 1.00 0.00 N ATOM 1193 CA ASP A 82 -6.189 2.745 3.974 1.00 0.00 C ATOM 1194 C ASP A 82 -5.180 3.805 3.544 1.00 0.00 C ATOM 1195 O ASP A 82 -4.100 3.921 4.125 1.00 0.00 O ATOM 1196 CB ASP A 82 -6.472 2.870 5.472 1.00 0.00 C ATOM 1197 CG ASP A 82 -7.862 2.391 5.841 1.00 0.00 C ATOM 1198 OD1 ASP A 82 -8.295 1.354 5.298 1.00 0.00 O ATOM 1199 OD2 ASP A 82 -8.517 3.055 6.671 1.00 0.00 O ATOM 0 H ASP A 82 -4.795 1.181 4.070 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.115 2.906 3.422 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.733 2.293 6.028 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.357 3.911 5.775 1.00 0.00 H new ATOM 1204 N VAL A 83 -5.538 4.575 2.522 1.00 0.00 N ATOM 1205 CA VAL A 83 -4.664 5.626 2.013 1.00 0.00 C ATOM 1206 C VAL A 83 -5.223 7.008 2.332 1.00 0.00 C ATOM 1207 O VAL A 83 -6.359 7.327 1.981 1.00 0.00 O ATOM 1208 CB VAL A 83 -4.465 5.503 0.491 1.00 0.00 C ATOM 1209 CG1 VAL A 83 -3.560 6.613 -0.021 1.00 0.00 C ATOM 1210 CG2 VAL A 83 -3.899 4.136 0.136 1.00 0.00 C ATOM 0 H VAL A 83 -6.427 4.491 2.030 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.701 5.504 2.508 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.436 5.606 0.006 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.431 6.509 -1.098 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.011 7.581 0.199 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.589 6.545 0.469 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.765 4.067 -0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.937 4.001 0.631 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.589 3.360 0.466 1.00 0.00 H new ATOM 1220 N LYS A 84 -4.417 7.826 3.000 1.00 0.00 N ATOM 1221 CA LYS A 84 -4.828 9.176 3.366 1.00 0.00 C ATOM 1222 C LYS A 84 -3.877 10.213 2.778 1.00 0.00 C ATOM 1223 O LYS A 84 -2.658 10.043 2.815 1.00 0.00 O ATOM 1224 CB LYS A 84 -4.880 9.321 4.889 1.00 0.00 C ATOM 1225 CG LYS A 84 -6.232 8.974 5.487 1.00 0.00 C ATOM 1226 CD LYS A 84 -6.140 8.767 6.990 1.00 0.00 C ATOM 1227 CE LYS A 84 -7.448 9.119 7.682 1.00 0.00 C ATOM 1228 NZ LYS A 84 -7.592 10.587 7.885 1.00 0.00 N ATOM 0 H LYS A 84 -3.474 7.577 3.299 1.00 0.00 H new ATOM 0 HA LYS A 84 -5.823 9.349 2.957 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.120 8.678 5.333 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.626 10.347 5.157 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.942 9.772 5.271 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -6.617 8.069 5.017 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.884 7.729 7.200 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -5.336 9.382 7.395 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -8.284 8.751 7.087 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -7.496 8.613 8.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -8.496 10.785 8.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.809 10.934 8.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.572 11.069 6.963 1.00 0.00 H new ATOM 1242 N PHE A 85 -4.441 11.288 2.238 1.00 0.00 N ATOM 1243 CA PHE A 85 -3.643 12.354 1.643 1.00 0.00 C ATOM 1244 C PHE A 85 -4.130 13.723 2.107 1.00 0.00 C ATOM 1245 O PHE A 85 -5.166 14.210 1.655 1.00 0.00 O ATOM 1246 CB PHE A 85 -3.699 12.270 0.116 1.00 0.00 C ATOM 1247 CG PHE A 85 -2.630 13.074 -0.568 1.00 0.00 C ATOM 1248 CD1 PHE A 85 -2.777 14.440 -0.741 1.00 0.00 C ATOM 1249 CD2 PHE A 85 -1.479 12.462 -1.038 1.00 0.00 C ATOM 1250 CE1 PHE A 85 -1.796 15.183 -1.370 1.00 0.00 C ATOM 1251 CE2 PHE A 85 -0.494 13.200 -1.667 1.00 0.00 C ATOM 1252 CZ PHE A 85 -0.653 14.562 -1.835 1.00 0.00 C ATOM 0 H PHE A 85 -5.448 11.444 2.200 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.611 12.226 1.969 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.607 11.227 -0.186 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -4.676 12.615 -0.223 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -3.669 14.931 -0.380 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.350 11.397 -0.912 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.923 16.248 -1.498 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.400 12.712 -2.027 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.114 15.140 -2.329 1.00 0.00 H new ATOM 1262 N ASN A 86 -3.376 14.338 3.012 1.00 0.00 N ATOM 1263 CA ASN A 86 -3.732 15.651 3.539 1.00 0.00 C ATOM 1264 C ASN A 86 -5.029 15.583 4.339 1.00 0.00 C ATOM 1265 O ASN A 86 -5.755 16.569 4.449 1.00 0.00 O ATOM 1266 CB ASN A 86 -3.876 16.659 2.397 1.00 0.00 C ATOM 1267 CG ASN A 86 -3.560 18.076 2.834 1.00 0.00 C ATOM 1268 OD1 ASN A 86 -3.904 18.487 3.942 1.00 0.00 O ATOM 1269 ND2 ASN A 86 -2.901 18.831 1.962 1.00 0.00 N ATOM 0 H ASN A 86 -2.515 13.949 3.396 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.933 15.977 4.205 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.211 16.377 1.581 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.893 16.620 2.008 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.660 19.793 2.200 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.636 18.449 1.054 1.00 0.00 H new ATOM 1276 N GLY A 87 -5.312 14.410 4.898 1.00 0.00 N ATOM 1277 CA GLY A 87 -6.521 14.234 5.682 1.00 0.00 C ATOM 1278 C GLY A 87 -7.735 13.950 4.820 1.00 0.00 C ATOM 1279 O GLY A 87 -8.757 14.626 4.933 1.00 0.00 O ATOM 0 H GLY A 87 -4.726 13.579 4.822 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.378 13.413 6.385 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.701 15.132 6.273 1.00 0.00 H new ATOM 1283 N SER A 88 -7.623 12.948 3.954 1.00 0.00 N ATOM 1284 CA SER A 88 -8.718 12.579 3.065 1.00 0.00 C ATOM 1285 C SER A 88 -8.396 11.293 2.310 1.00 0.00 C ATOM 1286 O SER A 88 -7.323 11.158 1.720 1.00 0.00 O ATOM 1287 CB SER A 88 -9.000 13.709 2.074 1.00 0.00 C ATOM 1288 OG SER A 88 -10.310 13.606 1.542 1.00 0.00 O ATOM 0 H SER A 88 -6.784 12.377 3.849 1.00 0.00 H new ATOM 0 HA SER A 88 -9.606 12.409 3.674 1.00 0.00 H new ATOM 0 HB2 SER A 88 -8.881 14.671 2.572 1.00 0.00 H new ATOM 0 HB3 SER A 88 -8.272 13.677 1.264 1.00 0.00 H new ATOM 0 HG SER A 88 -10.466 14.341 0.913 1.00 0.00 H new ATOM 1294 N HIS A 89 -9.332 10.350 2.333 1.00 0.00 N ATOM 1295 CA HIS A 89 -9.149 9.074 1.650 1.00 0.00 C ATOM 1296 C HIS A 89 -9.262 9.246 0.138 1.00 0.00 C ATOM 1297 O HIS A 89 -10.295 9.681 -0.372 1.00 0.00 O ATOM 1298 CB HIS A 89 -10.182 8.058 2.138 1.00 0.00 C ATOM 1299 CG HIS A 89 -9.969 7.620 3.554 1.00 0.00 C ATOM 1300 ND1 HIS A 89 -9.911 6.294 3.931 1.00 0.00 N ATOM 1301 CD2 HIS A 89 -9.797 8.339 4.688 1.00 0.00 C ATOM 1302 CE1 HIS A 89 -9.714 6.218 5.235 1.00 0.00 C ATOM 1303 NE2 HIS A 89 -9.641 7.445 5.718 1.00 0.00 N ATOM 0 H HIS A 89 -10.225 10.445 2.817 1.00 0.00 H new ATOM 0 HA HIS A 89 -8.150 8.705 1.882 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -11.178 8.492 2.047 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -10.155 7.184 1.488 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -10.005 5.497 3.301 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -9.785 9.416 4.768 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -9.627 5.307 5.809 1.00 0.00 H new ATOM 1311 N VAL A 90 -8.193 8.902 -0.573 1.00 0.00 N ATOM 1312 CA VAL A 90 -8.172 9.018 -2.026 1.00 0.00 C ATOM 1313 C VAL A 90 -9.347 8.277 -2.653 1.00 0.00 C ATOM 1314 O VAL A 90 -10.203 7.740 -1.950 1.00 0.00 O ATOM 1315 CB VAL A 90 -6.859 8.468 -2.614 1.00 0.00 C ATOM 1316 CG1 VAL A 90 -5.663 9.206 -2.032 1.00 0.00 C ATOM 1317 CG2 VAL A 90 -6.748 6.972 -2.360 1.00 0.00 C ATOM 0 H VAL A 90 -7.330 8.541 -0.166 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.249 10.080 -2.260 1.00 0.00 H new ATOM 0 HB VAL A 90 -6.867 8.631 -3.692 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.744 8.804 -2.459 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -5.739 10.267 -2.269 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.647 9.077 -0.950 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.815 6.600 -2.782 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.762 6.783 -1.287 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.588 6.460 -2.829 1.00 0.00 H new ATOM 1327 N VAL A 91 -9.382 8.251 -3.982 1.00 0.00 N ATOM 1328 CA VAL A 91 -10.451 7.573 -4.706 1.00 0.00 C ATOM 1329 C VAL A 91 -10.331 6.059 -4.574 1.00 0.00 C ATOM 1330 O VAL A 91 -9.228 5.518 -4.506 1.00 0.00 O ATOM 1331 CB VAL A 91 -10.444 7.950 -6.199 1.00 0.00 C ATOM 1332 CG1 VAL A 91 -10.383 9.461 -6.369 1.00 0.00 C ATOM 1333 CG2 VAL A 91 -9.282 7.277 -6.913 1.00 0.00 C ATOM 0 H VAL A 91 -8.682 8.692 -4.579 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.391 7.899 -4.261 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.371 7.596 -6.649 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.379 9.708 -7.431 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.252 9.916 -5.894 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -9.474 9.843 -5.904 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -9.293 7.555 -7.967 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -8.343 7.598 -6.463 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.376 6.195 -6.822 1.00 0.00 H new ATOM 1343 N GLY A 92 -11.474 5.381 -4.540 1.00 0.00 N ATOM 1344 CA GLY A 92 -11.474 3.935 -4.417 1.00 0.00 C ATOM 1345 C GLY A 92 -10.813 3.461 -3.138 1.00 0.00 C ATOM 1346 O GLY A 92 -10.130 2.437 -3.126 1.00 0.00 O ATOM 0 H GLY A 92 -12.399 5.807 -4.595 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -12.501 3.571 -4.448 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -10.956 3.501 -5.272 1.00 0.00 H new ATOM 1350 N SER A 93 -11.015 4.209 -2.057 1.00 0.00 N ATOM 1351 CA SER A 93 -10.429 3.863 -0.768 1.00 0.00 C ATOM 1352 C SER A 93 -11.503 3.779 0.313 1.00 0.00 C ATOM 1353 O SER A 93 -12.480 4.529 0.312 1.00 0.00 O ATOM 1354 CB SER A 93 -9.370 4.894 -0.372 1.00 0.00 C ATOM 1355 OG SER A 93 -8.948 4.703 0.968 1.00 0.00 O ATOM 0 H SER A 93 -11.580 5.058 -2.049 1.00 0.00 H new ATOM 0 HA SER A 93 -9.957 2.885 -0.863 1.00 0.00 H new ATOM 0 HB2 SER A 93 -8.513 4.815 -1.041 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.775 5.899 -0.489 1.00 0.00 H new ATOM 0 HG SER A 93 -8.088 4.233 0.976 1.00 0.00 H new ATOM 1361 N PRO A 94 -11.320 2.845 1.258 1.00 0.00 N ATOM 1362 CA PRO A 94 -10.161 1.947 1.269 1.00 0.00 C ATOM 1363 C PRO A 94 -10.205 0.930 0.133 1.00 0.00 C ATOM 1364 O PRO A 94 -11.220 0.790 -0.549 1.00 0.00 O ATOM 1365 CB PRO A 94 -10.271 1.243 2.623 1.00 0.00 C ATOM 1366 CG PRO A 94 -11.720 1.301 2.963 1.00 0.00 C ATOM 1367 CD PRO A 94 -12.229 2.594 2.388 1.00 0.00 C ATOM 0 HA PRO A 94 -9.225 2.487 1.130 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -9.919 0.213 2.563 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -9.666 1.743 3.380 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -12.254 0.449 2.541 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -11.869 1.268 4.042 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -13.265 2.508 2.059 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -12.193 3.401 3.120 1.00 0.00 H new ATOM 1375 N PHE A 95 -9.098 0.222 -0.064 1.00 0.00 N ATOM 1376 CA PHE A 95 -9.010 -0.782 -1.118 1.00 0.00 C ATOM 1377 C PHE A 95 -9.085 -2.190 -0.534 1.00 0.00 C ATOM 1378 O PHE A 95 -8.612 -2.441 0.575 1.00 0.00 O ATOM 1379 CB PHE A 95 -7.710 -0.613 -1.906 1.00 0.00 C ATOM 1380 CG PHE A 95 -7.645 0.668 -2.688 1.00 0.00 C ATOM 1381 CD1 PHE A 95 -7.275 1.853 -2.072 1.00 0.00 C ATOM 1382 CD2 PHE A 95 -7.956 0.687 -4.038 1.00 0.00 C ATOM 1383 CE1 PHE A 95 -7.214 3.033 -2.789 1.00 0.00 C ATOM 1384 CE2 PHE A 95 -7.896 1.865 -4.760 1.00 0.00 C ATOM 1385 CZ PHE A 95 -7.526 3.039 -4.134 1.00 0.00 C ATOM 0 H PHE A 95 -8.249 0.325 0.492 1.00 0.00 H new ATOM 0 HA PHE A 95 -9.855 -0.641 -1.792 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -6.868 -0.650 -1.215 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -7.598 -1.454 -2.591 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.032 1.854 -1.020 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -8.248 -0.228 -4.532 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -6.923 3.950 -2.298 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -8.138 1.867 -5.812 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.481 3.960 -4.696 1.00 0.00 H new ATOM 1395 N LYS A 96 -9.683 -3.106 -1.289 1.00 0.00 N ATOM 1396 CA LYS A 96 -9.820 -4.489 -0.849 1.00 0.00 C ATOM 1397 C LYS A 96 -8.865 -5.400 -1.613 1.00 0.00 C ATOM 1398 O LYS A 96 -8.660 -5.234 -2.815 1.00 0.00 O ATOM 1399 CB LYS A 96 -11.261 -4.967 -1.043 1.00 0.00 C ATOM 1400 CG LYS A 96 -12.239 -4.371 -0.045 1.00 0.00 C ATOM 1401 CD LYS A 96 -12.352 -5.228 1.205 1.00 0.00 C ATOM 1402 CE LYS A 96 -13.399 -6.318 1.040 1.00 0.00 C ATOM 1403 NZ LYS A 96 -13.544 -7.139 2.275 1.00 0.00 N ATOM 0 H LYS A 96 -10.080 -2.915 -2.209 1.00 0.00 H new ATOM 0 HA LYS A 96 -9.568 -4.533 0.210 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -11.586 -4.715 -2.052 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -11.289 -6.054 -0.962 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -11.914 -3.367 0.229 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -13.220 -4.273 -0.510 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -11.385 -5.681 1.426 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -12.611 -4.599 2.057 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.358 -5.865 0.790 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -13.124 -6.963 0.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -13.542 -8.148 2.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -12.751 -6.941 2.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -14.440 -6.901 2.747 1.00 0.00 H new ATOM 1417 N VAL A 97 -8.283 -6.365 -0.907 1.00 0.00 N ATOM 1418 CA VAL A 97 -7.351 -7.304 -1.520 1.00 0.00 C ATOM 1419 C VAL A 97 -7.471 -8.687 -0.889 1.00 0.00 C ATOM 1420 O VAL A 97 -7.247 -8.856 0.309 1.00 0.00 O ATOM 1421 CB VAL A 97 -5.895 -6.816 -1.388 1.00 0.00 C ATOM 1422 CG1 VAL A 97 -5.678 -5.557 -2.212 1.00 0.00 C ATOM 1423 CG2 VAL A 97 -5.544 -6.576 0.072 1.00 0.00 C ATOM 0 H VAL A 97 -8.441 -6.517 0.089 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.612 -7.366 -2.577 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.233 -7.592 -1.773 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -4.645 -5.227 -2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -5.886 -5.768 -3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.347 -4.772 -1.860 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.512 -6.232 0.146 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.210 -5.819 0.487 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.658 -7.505 0.631 1.00 0.00 H new ATOM 1433 N ARG A 98 -7.825 -9.674 -1.706 1.00 0.00 N ATOM 1434 CA ARG A 98 -7.975 -11.043 -1.228 1.00 0.00 C ATOM 1435 C ARG A 98 -6.653 -11.800 -1.321 1.00 0.00 C ATOM 1436 O ARG A 98 -6.170 -12.095 -2.414 1.00 0.00 O ATOM 1437 CB ARG A 98 -9.050 -11.773 -2.036 1.00 0.00 C ATOM 1438 CG ARG A 98 -9.744 -12.883 -1.264 1.00 0.00 C ATOM 1439 CD ARG A 98 -11.113 -13.196 -1.848 1.00 0.00 C ATOM 1440 NE ARG A 98 -11.018 -13.986 -3.073 1.00 0.00 N ATOM 1441 CZ ARG A 98 -12.068 -14.327 -3.811 1.00 0.00 C ATOM 1442 NH1 ARG A 98 -13.287 -13.949 -3.451 1.00 0.00 N ATOM 1443 NH2 ARG A 98 -11.901 -15.047 -4.913 1.00 0.00 N ATOM 0 H ARG A 98 -8.013 -9.551 -2.701 1.00 0.00 H new ATOM 0 HA ARG A 98 -8.279 -11.004 -0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -9.796 -11.051 -2.367 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -8.595 -12.195 -2.932 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -9.126 -13.781 -1.281 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.851 -12.589 -0.220 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -11.706 -13.739 -1.112 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -11.639 -12.265 -2.057 1.00 0.00 H new ATOM 0 HE ARG A 98 -10.094 -14.293 -3.378 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -13.420 -13.395 -2.605 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -14.092 -14.212 -4.020 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.965 -15.339 -5.194 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -12.708 -15.308 -5.479 1.00 0.00 H new ATOM 1457 N VAL A 99 -6.073 -12.111 -0.166 1.00 0.00 N ATOM 1458 CA VAL A 99 -4.808 -12.833 -0.116 1.00 0.00 C ATOM 1459 C VAL A 99 -4.986 -14.285 -0.547 1.00 0.00 C ATOM 1460 O VAL A 99 -5.953 -14.943 -0.163 1.00 0.00 O ATOM 1461 CB VAL A 99 -4.198 -12.800 1.298 1.00 0.00 C ATOM 1462 CG1 VAL A 99 -4.954 -13.735 2.228 1.00 0.00 C ATOM 1463 CG2 VAL A 99 -2.721 -13.163 1.249 1.00 0.00 C ATOM 0 H VAL A 99 -6.460 -11.874 0.748 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.131 -12.332 -0.808 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.287 -11.787 1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.508 -13.698 3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.997 -13.425 2.286 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.899 -14.753 1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.306 -13.135 2.256 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.606 -14.166 0.837 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.192 -12.449 0.618 1.00 0.00 H new ATOM 1473 N GLY A 100 -4.047 -14.779 -1.347 1.00 0.00 N ATOM 1474 CA GLY A 100 -4.118 -16.151 -1.816 1.00 0.00 C ATOM 1475 C GLY A 100 -4.048 -16.251 -3.327 1.00 0.00 C ATOM 1476 O GLY A 100 -4.216 -15.254 -4.029 1.00 0.00 O ATOM 0 H GLY A 100 -3.238 -14.254 -1.679 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.300 -16.724 -1.379 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -5.046 -16.603 -1.468 1.00 0.00 H new