USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 802 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 107 THR OG1 : rot -104:sc= -2.41! USER MOD Set 1.2: A 109 HIS : no HE2:sc= -7.14! C(o=-9.5!,f=-13!) USER MOD Set 2.1: A 69 THR OG1 : rot -64:sc= 0.51 USER MOD Set 2.2: A 71 SER OG : rot 151:sc= 0.597 USER MOD Set 2.3: A 73 GLN :FLIP amide:sc= 0.494 F(o=0.32,f=1.6) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -1.14 X(o=-1.1,f=-1) USER MOD Single : A 15 ASN : amide:sc= 0.0301 K(o=0.03,f=-2.2) USER MOD Single : A 19 SER OG : rot -22:sc= 0.384 USER MOD Single : A 23 TYR OH : rot 30:sc= 0 USER MOD Single : A 25 SER OG : rot 74:sc=-0.000208 USER MOD Single : A 26 THR OG1 : rot -20:sc= 1.22 USER MOD Single : A 28 THR OG1 : rot -60:sc= 0.733 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.519 K(o=-0.52,f=-1.2) USER MOD Single : A 40 MET CE :methyl -178:sc= -4.7 (180deg=-4.76) USER MOD Single : A 41 LYS NZ :NH3+ -121:sc= 0.634 (180deg=-0.0151) USER MOD Single : A 47 GLN : amide:sc= 0.0265 X(o=0.026,f=-0.12) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 80:sc= -4.52 USER MOD Single : A 64 MET CE :methyl 180:sc= -1.25 (180deg=-1.25) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -6.24! C(o=-6.2!,f=-6.8!) USER MOD Single : A 80 GLN : amide:sc= 0.0762 K(o=0.076,f=-1.3) USER MOD Single : A 88 GLN : amide:sc= -0.25 X(o=-0.25,f=0) USER MOD Single : A 90 GLN : amide:sc= -0.13 K(o=-0.13,f=-0.85) USER MOD Single : A 96 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.254) USER MOD Single : A 99 THR OG1 : rot 160:sc= -0.33 USER MOD Single : A 104 ASN : amide:sc= -2.91 K(o=-2.9,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 91 N PRO A 8 -11.856 -5.255 10.534 1.00 0.00 N ATOM 92 CA PRO A 8 -10.419 -5.374 10.851 1.00 0.00 C ATOM 93 C PRO A 8 -10.053 -6.850 11.075 1.00 0.00 C ATOM 94 O PRO A 8 -10.900 -7.643 11.452 1.00 0.00 O ATOM 95 CB PRO A 8 -10.264 -4.570 12.144 1.00 0.00 C ATOM 96 CG PRO A 8 -11.664 -4.520 12.800 1.00 0.00 C ATOM 97 CD PRO A 8 -12.684 -4.811 11.685 1.00 0.00 C ATOM 0 HA PRO A 8 -9.769 -5.011 10.055 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.540 -5.041 12.809 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.898 -3.565 11.934 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -11.744 -5.257 13.599 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -11.847 -3.543 13.247 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.393 -5.583 11.986 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -13.266 -3.923 11.437 1.00 0.00 H new ATOM 105 N GLY A 9 -8.804 -7.222 10.843 1.00 0.00 N ATOM 106 CA GLY A 9 -8.376 -8.645 11.038 1.00 0.00 C ATOM 107 C GLY A 9 -9.224 -9.570 10.150 1.00 0.00 C ATOM 108 O GLY A 9 -9.377 -10.745 10.443 1.00 0.00 O ATOM 0 H GLY A 9 -8.066 -6.593 10.526 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -7.320 -8.754 10.789 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -8.488 -8.928 12.085 1.00 0.00 H new ATOM 112 N MET A 10 -9.776 -9.040 9.074 1.00 0.00 N ATOM 113 CA MET A 10 -10.626 -9.856 8.147 1.00 0.00 C ATOM 114 C MET A 10 -10.274 -9.488 6.677 1.00 0.00 C ATOM 115 O MET A 10 -10.795 -8.516 6.159 1.00 0.00 O ATOM 116 CB MET A 10 -12.102 -9.528 8.416 1.00 0.00 C ATOM 117 CG MET A 10 -12.490 -10.026 9.809 1.00 0.00 C ATOM 118 SD MET A 10 -12.714 -11.822 9.766 1.00 0.00 S ATOM 119 CE MET A 10 -14.517 -11.821 9.619 1.00 0.00 C ATOM 0 H MET A 10 -9.669 -8.063 8.800 1.00 0.00 H new ATOM 0 HA MET A 10 -10.447 -10.919 8.309 1.00 0.00 H new ATOM 0 HB2 MET A 10 -12.265 -8.453 8.344 1.00 0.00 H new ATOM 0 HB3 MET A 10 -12.733 -9.998 7.662 1.00 0.00 H new ATOM 0 HG2 MET A 10 -11.716 -9.762 10.530 1.00 0.00 H new ATOM 0 HG3 MET A 10 -13.410 -9.542 10.137 1.00 0.00 H new ATOM 0 HE1 MET A 10 -14.879 -12.848 9.575 1.00 0.00 H new ATOM 0 HE2 MET A 10 -14.952 -11.319 10.483 1.00 0.00 H new ATOM 0 HE3 MET A 10 -14.808 -11.295 8.710 1.00 0.00 H new ATOM 129 N ALA A 11 -9.378 -10.240 6.013 1.00 0.00 N ATOM 130 CA ALA A 11 -8.958 -9.938 4.589 1.00 0.00 C ATOM 131 C ALA A 11 -7.800 -8.935 4.618 1.00 0.00 C ATOM 132 O ALA A 11 -6.729 -9.207 4.103 1.00 0.00 O ATOM 133 CB ALA A 11 -10.117 -9.380 3.746 1.00 0.00 C ATOM 0 H ALA A 11 -8.922 -11.059 6.415 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.644 -10.871 4.121 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -9.767 -9.179 2.734 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.926 -10.109 3.712 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -10.481 -8.455 4.194 1.00 0.00 H new ATOM 139 N ILE A 12 -8.005 -7.794 5.245 1.00 0.00 N ATOM 140 CA ILE A 12 -6.931 -6.763 5.365 1.00 0.00 C ATOM 141 C ILE A 12 -6.404 -6.826 6.816 1.00 0.00 C ATOM 142 O ILE A 12 -7.081 -6.340 7.707 1.00 0.00 O ATOM 143 CB ILE A 12 -7.526 -5.377 5.082 1.00 0.00 C ATOM 144 CG1 ILE A 12 -8.110 -5.355 3.666 1.00 0.00 C ATOM 145 CG2 ILE A 12 -6.432 -4.312 5.198 1.00 0.00 C ATOM 146 CD1 ILE A 12 -9.363 -4.477 3.641 1.00 0.00 C ATOM 0 H ILE A 12 -8.889 -7.536 5.684 1.00 0.00 H new ATOM 0 HA ILE A 12 -6.124 -6.944 4.655 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.313 -5.166 5.807 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -7.371 -4.971 2.963 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -8.357 -6.368 3.348 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -6.858 -3.329 4.996 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -6.015 -4.327 6.205 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -5.643 -4.521 4.475 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -9.777 -4.463 2.633 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.104 -4.880 4.332 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.102 -3.462 3.941 1.00 0.00 H new ATOM 158 N PRO A 13 -5.255 -7.467 7.047 1.00 0.00 N ATOM 159 CA PRO A 13 -4.724 -7.632 8.414 1.00 0.00 C ATOM 160 C PRO A 13 -3.981 -6.387 8.886 1.00 0.00 C ATOM 161 O PRO A 13 -3.776 -5.444 8.139 1.00 0.00 O ATOM 162 CB PRO A 13 -3.779 -8.829 8.298 1.00 0.00 C ATOM 163 CG PRO A 13 -3.383 -8.938 6.807 1.00 0.00 C ATOM 164 CD PRO A 13 -4.374 -8.067 6.009 1.00 0.00 C ATOM 0 HA PRO A 13 -5.514 -7.787 9.148 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -2.897 -8.688 8.924 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -4.268 -9.743 8.637 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.360 -8.595 6.654 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.425 -9.974 6.472 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.856 -7.299 5.435 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -4.946 -8.664 5.299 1.00 0.00 H new ATOM 172 N HIS A 14 -3.596 -6.394 10.140 1.00 0.00 N ATOM 173 CA HIS A 14 -2.879 -5.251 10.750 1.00 0.00 C ATOM 174 C HIS A 14 -1.421 -5.241 10.236 1.00 0.00 C ATOM 175 O HIS A 14 -0.854 -6.292 9.986 1.00 0.00 O ATOM 176 CB HIS A 14 -2.908 -5.443 12.273 1.00 0.00 C ATOM 177 CG HIS A 14 -4.322 -5.727 12.741 1.00 0.00 C ATOM 178 ND1 HIS A 14 -5.174 -4.732 13.204 1.00 0.00 N ATOM 179 CD2 HIS A 14 -5.038 -6.896 12.822 1.00 0.00 C ATOM 180 CE1 HIS A 14 -6.343 -5.319 13.539 1.00 0.00 C ATOM 181 NE2 HIS A 14 -6.311 -6.637 13.324 1.00 0.00 N ATOM 0 H HIS A 14 -3.759 -7.173 10.778 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.348 -4.303 10.486 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -2.252 -6.267 12.555 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.527 -4.549 12.766 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.669 -7.871 12.539 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -7.198 -4.789 13.932 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -7.059 -7.310 13.492 1.00 0.00 H new ATOM 189 N ASN A 15 -0.822 -4.070 10.061 1.00 0.00 N ATOM 190 CA ASN A 15 0.585 -3.982 9.546 1.00 0.00 C ATOM 191 C ASN A 15 0.672 -4.616 8.128 1.00 0.00 C ATOM 192 O ASN A 15 1.478 -5.504 7.895 1.00 0.00 O ATOM 193 CB ASN A 15 1.526 -4.696 10.539 1.00 0.00 C ATOM 194 CG ASN A 15 2.555 -3.701 11.089 1.00 0.00 C ATOM 195 OD1 ASN A 15 2.217 -2.587 11.435 1.00 0.00 O ATOM 196 ND2 ASN A 15 3.807 -4.062 11.186 1.00 0.00 N ATOM 0 H ASN A 15 -1.259 -3.169 10.257 1.00 0.00 H new ATOM 0 HA ASN A 15 0.890 -2.939 9.462 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.948 -5.125 11.358 1.00 0.00 H new ATOM 0 HB3 ASN A 15 2.035 -5.522 10.042 1.00 0.00 H new ATOM 0 HD21 ASN A 15 4.499 -3.408 11.552 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.092 -4.997 10.896 1.00 0.00 H new ATOM 203 N PRO A 16 -0.164 -4.137 7.202 1.00 0.00 N ATOM 204 CA PRO A 16 -0.180 -4.649 5.809 1.00 0.00 C ATOM 205 C PRO A 16 0.934 -4.018 4.962 1.00 0.00 C ATOM 206 O PRO A 16 1.522 -3.015 5.330 1.00 0.00 O ATOM 207 CB PRO A 16 -1.535 -4.186 5.270 1.00 0.00 C ATOM 208 CG PRO A 16 -1.947 -2.963 6.120 1.00 0.00 C ATOM 209 CD PRO A 16 -1.173 -3.066 7.446 1.00 0.00 C ATOM 0 HA PRO A 16 -0.028 -5.728 5.774 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.463 -3.920 4.215 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.276 -4.981 5.348 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.707 -2.034 5.603 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.022 -2.960 6.299 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.695 -2.120 7.702 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.834 -3.323 8.273 1.00 0.00 H new ATOM 217 N LEU A 17 1.173 -4.593 3.804 1.00 0.00 N ATOM 218 CA LEU A 17 2.193 -4.057 2.844 1.00 0.00 C ATOM 219 C LEU A 17 3.558 -3.820 3.526 1.00 0.00 C ATOM 220 O LEU A 17 4.206 -2.803 3.305 1.00 0.00 O ATOM 221 CB LEU A 17 1.662 -2.745 2.246 1.00 0.00 C ATOM 222 CG LEU A 17 0.245 -2.958 1.707 1.00 0.00 C ATOM 223 CD1 LEU A 17 -0.340 -1.617 1.266 1.00 0.00 C ATOM 224 CD2 LEU A 17 0.292 -3.913 0.511 1.00 0.00 C ATOM 0 H LEU A 17 0.692 -5.431 3.478 1.00 0.00 H new ATOM 0 HA LEU A 17 2.354 -4.795 2.058 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.658 -1.963 3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.319 -2.408 1.444 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.381 -3.387 2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.349 -1.769 0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.374 -0.937 2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.285 -1.187 0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.717 -4.065 0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.918 -3.485 -0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.708 -4.870 0.826 1.00 0.00 H new ATOM 236 N ASP A 18 4.014 -4.765 4.322 1.00 0.00 N ATOM 237 CA ASP A 18 5.354 -4.617 4.992 1.00 0.00 C ATOM 238 C ASP A 18 6.443 -4.687 3.918 1.00 0.00 C ATOM 239 O ASP A 18 7.406 -3.920 3.922 1.00 0.00 O ATOM 240 CB ASP A 18 5.560 -5.744 6.009 1.00 0.00 C ATOM 241 CG ASP A 18 5.326 -7.093 5.326 1.00 0.00 C ATOM 242 OD1 ASP A 18 4.194 -7.549 5.334 1.00 0.00 O ATOM 243 OD2 ASP A 18 6.280 -7.647 4.806 1.00 0.00 O ATOM 0 H ASP A 18 3.518 -5.630 4.537 1.00 0.00 H new ATOM 0 HA ASP A 18 5.402 -3.662 5.516 1.00 0.00 H new ATOM 0 HB2 ASP A 18 6.570 -5.701 6.417 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.873 -5.624 6.846 1.00 0.00 H new ATOM 248 N SER A 19 6.268 -5.593 2.985 1.00 0.00 N ATOM 249 CA SER A 19 7.240 -5.757 1.862 1.00 0.00 C ATOM 250 C SER A 19 7.252 -4.480 1.024 1.00 0.00 C ATOM 251 O SER A 19 8.233 -4.173 0.370 1.00 0.00 O ATOM 252 CB SER A 19 6.816 -6.937 0.985 1.00 0.00 C ATOM 253 OG SER A 19 7.973 -7.564 0.448 1.00 0.00 O ATOM 0 H SER A 19 5.477 -6.236 2.956 1.00 0.00 H new ATOM 0 HA SER A 19 8.236 -5.946 2.263 1.00 0.00 H new ATOM 0 HB2 SER A 19 6.240 -7.652 1.572 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.169 -6.592 0.179 1.00 0.00 H new ATOM 0 HG SER A 19 8.720 -6.930 0.452 1.00 0.00 H new ATOM 259 N CYS A 20 6.155 -3.747 1.035 1.00 0.00 N ATOM 260 CA CYS A 20 6.058 -2.484 0.245 1.00 0.00 C ATOM 261 C CYS A 20 6.853 -1.385 0.947 1.00 0.00 C ATOM 262 O CYS A 20 7.527 -0.589 0.304 1.00 0.00 O ATOM 263 CB CYS A 20 4.587 -2.102 0.109 1.00 0.00 C ATOM 264 SG CYS A 20 3.671 -3.490 -0.637 1.00 0.00 S ATOM 0 H CYS A 20 5.317 -3.980 1.567 1.00 0.00 H new ATOM 0 HA CYS A 20 6.477 -2.621 -0.752 1.00 0.00 H new ATOM 0 HB2 CYS A 20 4.170 -1.860 1.087 1.00 0.00 H new ATOM 0 HB3 CYS A 20 4.487 -1.210 -0.510 1.00 0.00 H new ATOM 269 N ARG A 21 6.795 -1.357 2.261 1.00 0.00 N ATOM 270 CA ARG A 21 7.553 -0.337 3.042 1.00 0.00 C ATOM 271 C ARG A 21 9.066 -0.546 2.782 1.00 0.00 C ATOM 272 O ARG A 21 9.793 0.397 2.444 1.00 0.00 O ATOM 273 CB ARG A 21 7.154 -0.468 4.547 1.00 0.00 C ATOM 274 CG ARG A 21 8.365 -0.548 5.501 1.00 0.00 C ATOM 275 CD ARG A 21 9.072 0.808 5.556 1.00 0.00 C ATOM 276 NE ARG A 21 10.380 0.655 6.252 1.00 0.00 N ATOM 277 CZ ARG A 21 10.450 0.820 7.545 1.00 0.00 C ATOM 278 NH1 ARG A 21 10.445 2.023 8.049 1.00 0.00 N ATOM 279 NH2 ARG A 21 10.520 -0.218 8.333 1.00 0.00 N ATOM 0 H ARG A 21 6.248 -2.006 2.826 1.00 0.00 H new ATOM 0 HA ARG A 21 7.313 0.681 2.735 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.537 0.386 4.827 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.541 -1.360 4.676 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.035 -0.837 6.499 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.059 -1.316 5.159 1.00 0.00 H new ATOM 0 HD2 ARG A 21 9.227 1.191 4.547 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.451 1.534 6.081 1.00 0.00 H new ATOM 0 HE ARG A 21 11.218 0.422 5.720 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.386 2.834 7.433 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.500 2.153 9.059 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.520 -1.159 7.939 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.575 -0.089 9.343 1.00 0.00 H new ATOM 293 N TRP A 22 9.540 -1.775 2.935 1.00 0.00 N ATOM 294 CA TRP A 22 10.997 -2.038 2.706 1.00 0.00 C ATOM 295 C TRP A 22 11.320 -1.910 1.217 1.00 0.00 C ATOM 296 O TRP A 22 12.440 -1.587 0.852 1.00 0.00 O ATOM 297 CB TRP A 22 11.427 -3.410 3.230 1.00 0.00 C ATOM 298 CG TRP A 22 11.584 -3.308 4.700 1.00 0.00 C ATOM 299 CD1 TRP A 22 10.946 -4.043 5.614 1.00 0.00 C ATOM 300 CD2 TRP A 22 12.434 -2.405 5.417 1.00 0.00 C ATOM 301 NE1 TRP A 22 11.351 -3.633 6.878 1.00 0.00 N ATOM 302 CE2 TRP A 22 12.280 -2.612 6.798 1.00 0.00 C ATOM 303 CE3 TRP A 22 13.311 -1.436 4.975 1.00 0.00 C ATOM 304 CZ2 TRP A 22 12.996 -1.853 7.728 1.00 0.00 C ATOM 305 CZ3 TRP A 22 14.042 -0.661 5.892 1.00 0.00 C ATOM 306 CH2 TRP A 22 13.881 -0.869 7.271 1.00 0.00 C ATOM 0 H TRP A 22 8.985 -2.588 3.204 1.00 0.00 H new ATOM 0 HA TRP A 22 11.560 -1.291 3.267 1.00 0.00 H new ATOM 0 HB2 TRP A 22 10.683 -4.165 2.977 1.00 0.00 H new ATOM 0 HB3 TRP A 22 12.364 -3.719 2.767 1.00 0.00 H new ATOM 0 HD1 TRP A 22 10.233 -4.827 5.405 1.00 0.00 H new ATOM 0 HE1 TRP A 22 11.008 -4.033 7.751 1.00 0.00 H new ATOM 0 HE3 TRP A 22 13.437 -1.271 3.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 12.868 -2.024 8.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 14.727 0.094 5.536 1.00 0.00 H new ATOM 0 HH2 TRP A 22 14.438 -0.272 7.977 1.00 0.00 H new ATOM 317 N TYR A 23 10.343 -2.139 0.357 1.00 0.00 N ATOM 318 CA TYR A 23 10.588 -2.006 -1.110 1.00 0.00 C ATOM 319 C TYR A 23 10.836 -0.534 -1.409 1.00 0.00 C ATOM 320 O TYR A 23 11.583 -0.215 -2.312 1.00 0.00 O ATOM 321 CB TYR A 23 9.391 -2.533 -1.916 1.00 0.00 C ATOM 322 CG TYR A 23 9.719 -2.535 -3.398 1.00 0.00 C ATOM 323 CD1 TYR A 23 9.883 -1.339 -4.105 1.00 0.00 C ATOM 324 CD2 TYR A 23 9.877 -3.752 -4.059 1.00 0.00 C ATOM 325 CE1 TYR A 23 10.213 -1.363 -5.464 1.00 0.00 C ATOM 326 CE2 TYR A 23 10.204 -3.781 -5.417 1.00 0.00 C ATOM 327 CZ TYR A 23 10.377 -2.585 -6.121 1.00 0.00 C ATOM 328 OH TYR A 23 10.698 -2.609 -7.463 1.00 0.00 O ATOM 0 H TYR A 23 9.394 -2.410 0.615 1.00 0.00 H new ATOM 0 HA TYR A 23 11.455 -2.600 -1.400 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.140 -3.542 -1.590 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.516 -1.911 -1.730 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.754 -0.393 -3.599 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.746 -4.678 -3.518 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.341 -0.437 -6.005 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.323 -4.727 -5.923 1.00 0.00 H new ATOM 0 HH TYR A 23 11.221 -1.812 -7.688 1.00 0.00 H new ATOM 338 N VAL A 24 10.240 0.368 -0.646 1.00 0.00 N ATOM 339 CA VAL A 24 10.492 1.823 -0.892 1.00 0.00 C ATOM 340 C VAL A 24 11.885 2.160 -0.380 1.00 0.00 C ATOM 341 O VAL A 24 12.617 2.865 -1.039 1.00 0.00 O ATOM 342 CB VAL A 24 9.483 2.721 -0.169 1.00 0.00 C ATOM 343 CG1 VAL A 24 9.799 4.193 -0.491 1.00 0.00 C ATOM 344 CG2 VAL A 24 8.061 2.392 -0.631 1.00 0.00 C ATOM 0 H VAL A 24 9.602 0.157 0.122 1.00 0.00 H new ATOM 0 HA VAL A 24 10.395 2.004 -1.962 1.00 0.00 H new ATOM 0 HB VAL A 24 9.554 2.551 0.905 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.085 4.839 0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.808 4.430 -0.155 1.00 0.00 H new ATOM 0 HG13 VAL A 24 9.728 4.353 -1.567 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.351 3.036 -0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 24 7.980 2.556 -1.706 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.837 1.349 -0.406 1.00 0.00 H new ATOM 354 N SER A 25 12.246 1.684 0.799 1.00 0.00 N ATOM 355 CA SER A 25 13.606 2.018 1.349 1.00 0.00 C ATOM 356 C SER A 25 14.713 1.582 0.354 1.00 0.00 C ATOM 357 O SER A 25 15.695 2.282 0.166 1.00 0.00 O ATOM 358 CB SER A 25 13.806 1.345 2.725 1.00 0.00 C ATOM 359 OG SER A 25 14.473 0.092 2.593 1.00 0.00 O ATOM 0 H SER A 25 11.668 1.090 1.393 1.00 0.00 H new ATOM 0 HA SER A 25 13.676 3.098 1.483 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.385 2.002 3.374 1.00 0.00 H new ATOM 0 HB3 SER A 25 12.838 1.196 3.204 1.00 0.00 H new ATOM 0 HG SER A 25 15.421 0.245 2.397 1.00 0.00 H new ATOM 365 N THR A 26 14.556 0.418 -0.252 1.00 0.00 N ATOM 366 CA THR A 26 15.587 -0.128 -1.209 1.00 0.00 C ATOM 367 C THR A 26 15.513 0.560 -2.587 1.00 0.00 C ATOM 368 O THR A 26 16.513 1.027 -3.099 1.00 0.00 O ATOM 369 CB THR A 26 15.347 -1.652 -1.343 1.00 0.00 C ATOM 370 OG1 THR A 26 15.768 -2.290 -0.145 1.00 0.00 O ATOM 371 CG2 THR A 26 16.119 -2.259 -2.530 1.00 0.00 C ATOM 0 H THR A 26 13.744 -0.185 -0.121 1.00 0.00 H new ATOM 0 HA THR A 26 16.585 0.070 -0.819 1.00 0.00 H new ATOM 0 HB THR A 26 14.283 -1.810 -1.521 1.00 0.00 H new ATOM 0 HG1 THR A 26 16.380 -1.700 0.342 1.00 0.00 H new ATOM 0 HG21 THR A 26 15.920 -3.329 -2.584 1.00 0.00 H new ATOM 0 HG22 THR A 26 15.796 -1.782 -3.456 1.00 0.00 H new ATOM 0 HG23 THR A 26 17.188 -2.095 -2.391 1.00 0.00 H new ATOM 379 N ARG A 27 14.356 0.585 -3.190 1.00 0.00 N ATOM 380 CA ARG A 27 14.197 1.203 -4.545 1.00 0.00 C ATOM 381 C ARG A 27 14.543 2.695 -4.501 1.00 0.00 C ATOM 382 O ARG A 27 14.878 3.283 -5.517 1.00 0.00 O ATOM 383 CB ARG A 27 12.750 1.026 -5.015 1.00 0.00 C ATOM 384 CG ARG A 27 12.612 1.508 -6.462 1.00 0.00 C ATOM 385 CD ARG A 27 13.451 0.620 -7.385 1.00 0.00 C ATOM 386 NE ARG A 27 12.847 0.607 -8.746 1.00 0.00 N ATOM 387 CZ ARG A 27 13.617 0.572 -9.798 1.00 0.00 C ATOM 388 NH1 ARG A 27 14.628 -0.252 -9.837 1.00 0.00 N ATOM 389 NH2 ARG A 27 13.381 1.363 -10.811 1.00 0.00 N ATOM 0 H ARG A 27 13.498 0.198 -2.797 1.00 0.00 H new ATOM 0 HA ARG A 27 14.876 0.709 -5.240 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.460 -0.022 -4.942 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.077 1.589 -4.369 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.566 1.479 -6.767 1.00 0.00 H new ATOM 0 HG3 ARG A 27 12.939 2.545 -6.543 1.00 0.00 H new ATOM 0 HD2 ARG A 27 14.474 0.992 -7.433 1.00 0.00 H new ATOM 0 HD3 ARG A 27 13.499 -0.394 -6.987 1.00 0.00 H new ATOM 0 HE ARG A 27 11.833 0.625 -8.855 1.00 0.00 H new ATOM 0 HH11 ARG A 27 14.815 -0.868 -9.045 1.00 0.00 H new ATOM 0 HH12 ARG A 27 15.231 -0.281 -10.659 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.593 2.010 -10.780 1.00 0.00 H new ATOM 0 HH22 ARG A 27 13.985 1.334 -11.633 1.00 0.00 H new ATOM 403 N THR A 28 14.422 3.314 -3.345 1.00 0.00 N ATOM 404 CA THR A 28 14.692 4.783 -3.226 1.00 0.00 C ATOM 405 C THR A 28 16.136 5.069 -2.751 1.00 0.00 C ATOM 406 O THR A 28 16.903 5.679 -3.480 1.00 0.00 O ATOM 407 CB THR A 28 13.661 5.411 -2.261 1.00 0.00 C ATOM 408 OG1 THR A 28 13.884 4.958 -0.936 1.00 0.00 O ATOM 409 CG2 THR A 28 12.248 5.024 -2.701 1.00 0.00 C ATOM 0 H THR A 28 14.146 2.859 -2.475 1.00 0.00 H new ATOM 0 HA THR A 28 14.592 5.234 -4.213 1.00 0.00 H new ATOM 0 HB THR A 28 13.771 6.495 -2.286 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.797 3.982 -0.905 1.00 0.00 H new ATOM 0 HG21 THR A 28 11.521 5.467 -2.020 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.069 5.390 -3.712 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.146 3.939 -2.685 1.00 0.00 H new ATOM 417 N CYS A 29 16.507 4.665 -1.545 1.00 0.00 N ATOM 418 CA CYS A 29 17.895 4.949 -1.026 1.00 0.00 C ATOM 419 C CYS A 29 18.799 3.720 -1.146 1.00 0.00 C ATOM 420 O CYS A 29 19.871 3.682 -0.561 1.00 0.00 O ATOM 421 CB CYS A 29 17.823 5.351 0.449 1.00 0.00 C ATOM 422 SG CYS A 29 16.384 6.403 0.750 1.00 0.00 S ATOM 0 H CYS A 29 15.906 4.151 -0.900 1.00 0.00 H new ATOM 0 HA CYS A 29 18.312 5.757 -1.627 1.00 0.00 H new ATOM 0 HB2 CYS A 29 17.765 4.459 1.073 1.00 0.00 H new ATOM 0 HB3 CYS A 29 18.733 5.880 0.733 1.00 0.00 H new ATOM 427 N GLY A 30 18.370 2.715 -1.865 1.00 0.00 N ATOM 428 CA GLY A 30 19.188 1.462 -1.993 1.00 0.00 C ATOM 429 C GLY A 30 19.419 0.852 -0.596 1.00 0.00 C ATOM 430 O GLY A 30 20.332 0.065 -0.407 1.00 0.00 O ATOM 0 H GLY A 30 17.485 2.704 -2.373 1.00 0.00 H new ATOM 0 HA2 GLY A 30 18.676 0.745 -2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 30 20.144 1.686 -2.466 1.00 0.00 H new ATOM 434 N VAL A 31 18.592 1.212 0.376 1.00 0.00 N ATOM 435 CA VAL A 31 18.739 0.668 1.768 1.00 0.00 C ATOM 436 C VAL A 31 17.624 -0.351 2.028 1.00 0.00 C ATOM 437 O VAL A 31 16.605 -0.345 1.359 1.00 0.00 O ATOM 438 CB VAL A 31 18.635 1.816 2.782 1.00 0.00 C ATOM 439 CG1 VAL A 31 18.823 1.277 4.204 1.00 0.00 C ATOM 440 CG2 VAL A 31 19.721 2.853 2.490 1.00 0.00 C ATOM 0 H VAL A 31 17.818 1.865 0.256 1.00 0.00 H new ATOM 0 HA VAL A 31 19.710 0.184 1.873 1.00 0.00 H new ATOM 0 HB VAL A 31 17.651 2.277 2.698 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.748 2.098 4.917 1.00 0.00 H new ATOM 0 HG12 VAL A 31 18.051 0.538 4.418 1.00 0.00 H new ATOM 0 HG13 VAL A 31 19.805 0.811 4.290 1.00 0.00 H new ATOM 0 HG21 VAL A 31 19.648 3.669 3.209 1.00 0.00 H new ATOM 0 HG22 VAL A 31 20.702 2.385 2.570 1.00 0.00 H new ATOM 0 HG23 VAL A 31 19.588 3.245 1.482 1.00 0.00 H new ATOM 450 N GLY A 32 17.824 -1.229 2.989 1.00 0.00 N ATOM 451 CA GLY A 32 16.797 -2.274 3.298 1.00 0.00 C ATOM 452 C GLY A 32 17.511 -3.636 3.475 1.00 0.00 C ATOM 453 O GLY A 32 18.722 -3.684 3.315 1.00 0.00 O ATOM 0 H GLY A 32 18.659 -1.264 3.573 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.253 -2.012 4.205 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.064 -2.333 2.493 1.00 0.00 H new ATOM 457 N PRO A 33 16.784 -4.725 3.779 1.00 0.00 N ATOM 458 CA PRO A 33 17.443 -6.045 3.933 1.00 0.00 C ATOM 459 C PRO A 33 18.018 -6.495 2.583 1.00 0.00 C ATOM 460 O PRO A 33 17.799 -5.842 1.572 1.00 0.00 O ATOM 461 CB PRO A 33 16.327 -6.965 4.453 1.00 0.00 C ATOM 462 CG PRO A 33 14.998 -6.287 4.074 1.00 0.00 C ATOM 463 CD PRO A 33 15.298 -4.780 3.978 1.00 0.00 C ATOM 0 HA PRO A 33 18.290 -6.043 4.619 1.00 0.00 H new ATOM 0 HB2 PRO A 33 16.400 -7.956 4.005 1.00 0.00 H new ATOM 0 HB3 PRO A 33 16.403 -7.097 5.532 1.00 0.00 H new ATOM 0 HG2 PRO A 33 14.622 -6.670 3.126 1.00 0.00 H new ATOM 0 HG3 PRO A 33 14.232 -6.485 4.824 1.00 0.00 H new ATOM 0 HD2 PRO A 33 14.765 -4.318 3.147 1.00 0.00 H new ATOM 0 HD3 PRO A 33 14.995 -4.253 4.883 1.00 0.00 H new ATOM 471 N ARG A 34 18.775 -7.578 2.560 1.00 0.00 N ATOM 472 CA ARG A 34 19.395 -8.040 1.278 1.00 0.00 C ATOM 473 C ARG A 34 18.470 -9.055 0.592 1.00 0.00 C ATOM 474 O ARG A 34 18.718 -10.253 0.573 1.00 0.00 O ATOM 475 CB ARG A 34 20.767 -8.668 1.574 1.00 0.00 C ATOM 476 CG ARG A 34 21.867 -7.623 1.360 1.00 0.00 C ATOM 477 CD ARG A 34 23.234 -8.311 1.328 1.00 0.00 C ATOM 478 NE ARG A 34 24.308 -7.292 1.507 1.00 0.00 N ATOM 479 CZ ARG A 34 25.508 -7.663 1.860 1.00 0.00 C ATOM 480 NH1 ARG A 34 26.348 -8.102 0.962 1.00 0.00 N ATOM 481 NH2 ARG A 34 25.870 -7.594 3.113 1.00 0.00 N ATOM 0 H ARG A 34 18.986 -8.155 3.374 1.00 0.00 H new ATOM 0 HA ARG A 34 19.534 -7.192 0.607 1.00 0.00 H new ATOM 0 HB2 ARG A 34 20.796 -9.037 2.599 1.00 0.00 H new ATOM 0 HB3 ARG A 34 20.934 -9.525 0.922 1.00 0.00 H new ATOM 0 HG2 ARG A 34 21.697 -7.088 0.426 1.00 0.00 H new ATOM 0 HG3 ARG A 34 21.840 -6.884 2.160 1.00 0.00 H new ATOM 0 HD2 ARG A 34 23.294 -9.061 2.117 1.00 0.00 H new ATOM 0 HD3 ARG A 34 23.368 -8.834 0.381 1.00 0.00 H new ATOM 0 HE ARG A 34 24.104 -6.304 1.353 1.00 0.00 H new ATOM 0 HH11 ARG A 34 26.066 -8.155 -0.017 1.00 0.00 H new ATOM 0 HH12 ARG A 34 27.286 -8.392 1.239 1.00 0.00 H new ATOM 0 HH21 ARG A 34 25.215 -7.250 3.815 1.00 0.00 H new ATOM 0 HH22 ARG A 34 26.808 -7.884 3.390 1.00 0.00 H new ATOM 495 N LEU A 35 17.403 -8.550 0.013 1.00 0.00 N ATOM 496 CA LEU A 35 16.420 -9.409 -0.712 1.00 0.00 C ATOM 497 C LEU A 35 16.289 -8.873 -2.138 1.00 0.00 C ATOM 498 O LEU A 35 16.210 -7.672 -2.342 1.00 0.00 O ATOM 499 CB LEU A 35 15.059 -9.350 0.003 1.00 0.00 C ATOM 500 CG LEU A 35 14.470 -10.761 0.155 1.00 0.00 C ATOM 501 CD1 LEU A 35 14.267 -11.393 -1.225 1.00 0.00 C ATOM 502 CD2 LEU A 35 15.419 -11.636 0.983 1.00 0.00 C ATOM 0 H LEU A 35 17.172 -7.557 0.015 1.00 0.00 H new ATOM 0 HA LEU A 35 16.756 -10.446 -0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 35 15.177 -8.891 0.985 1.00 0.00 H new ATOM 0 HB3 LEU A 35 14.371 -8.721 -0.563 1.00 0.00 H new ATOM 0 HG LEU A 35 13.509 -10.689 0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 35 13.849 -12.393 -1.109 1.00 0.00 H new ATOM 0 HD12 LEU A 35 13.582 -10.779 -1.809 1.00 0.00 H new ATOM 0 HD13 LEU A 35 15.225 -11.458 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 35 14.995 -12.635 1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 35 16.384 -11.702 0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 35 15.553 -11.194 1.970 1.00 0.00 H new ATOM 514 N ALA A 36 16.284 -9.750 -3.122 1.00 0.00 N ATOM 515 CA ALA A 36 16.181 -9.307 -4.554 1.00 0.00 C ATOM 516 C ALA A 36 14.977 -8.353 -4.727 1.00 0.00 C ATOM 517 O ALA A 36 14.010 -8.437 -3.988 1.00 0.00 O ATOM 518 CB ALA A 36 16.023 -10.538 -5.450 1.00 0.00 C ATOM 0 H ALA A 36 16.347 -10.760 -2.992 1.00 0.00 H new ATOM 0 HA ALA A 36 17.086 -8.771 -4.839 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.948 -10.223 -6.491 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.889 -11.189 -5.330 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.120 -11.079 -5.168 1.00 0.00 H new ATOM 524 N THR A 37 15.049 -7.434 -5.679 1.00 0.00 N ATOM 525 CA THR A 37 13.944 -6.442 -5.901 1.00 0.00 C ATOM 526 C THR A 37 12.728 -7.105 -6.563 1.00 0.00 C ATOM 527 O THR A 37 11.608 -6.661 -6.369 1.00 0.00 O ATOM 528 CB THR A 37 14.467 -5.317 -6.804 1.00 0.00 C ATOM 529 OG1 THR A 37 15.794 -4.978 -6.422 1.00 0.00 O ATOM 530 CG2 THR A 37 13.575 -4.081 -6.672 1.00 0.00 C ATOM 0 H THR A 37 15.840 -7.334 -6.316 1.00 0.00 H new ATOM 0 HA THR A 37 13.629 -6.044 -4.936 1.00 0.00 H new ATOM 0 HB THR A 37 14.457 -5.660 -7.838 1.00 0.00 H new ATOM 0 HG1 THR A 37 16.128 -4.261 -7.000 1.00 0.00 H new ATOM 0 HG21 THR A 37 13.954 -3.288 -7.317 1.00 0.00 H new ATOM 0 HG22 THR A 37 12.557 -4.334 -6.968 1.00 0.00 H new ATOM 0 HG23 THR A 37 13.577 -3.739 -5.637 1.00 0.00 H new ATOM 538 N GLN A 38 12.938 -8.146 -7.342 1.00 0.00 N ATOM 539 CA GLN A 38 11.790 -8.836 -8.024 1.00 0.00 C ATOM 540 C GLN A 38 10.985 -9.634 -6.996 1.00 0.00 C ATOM 541 O GLN A 38 9.782 -9.795 -7.128 1.00 0.00 O ATOM 542 CB GLN A 38 12.323 -9.783 -9.102 1.00 0.00 C ATOM 543 CG GLN A 38 11.293 -9.902 -10.228 1.00 0.00 C ATOM 544 CD GLN A 38 10.260 -10.972 -9.867 1.00 0.00 C ATOM 545 OE1 GLN A 38 9.132 -10.658 -9.541 1.00 0.00 O ATOM 546 NE2 GLN A 38 10.600 -12.232 -9.911 1.00 0.00 N ATOM 0 H GLN A 38 13.856 -8.547 -7.535 1.00 0.00 H new ATOM 0 HA GLN A 38 11.146 -8.088 -8.487 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.268 -9.408 -9.496 1.00 0.00 H new ATOM 0 HB3 GLN A 38 12.524 -10.765 -8.673 1.00 0.00 H new ATOM 0 HG2 GLN A 38 10.799 -8.943 -10.385 1.00 0.00 H new ATOM 0 HG3 GLN A 38 11.789 -10.162 -11.163 1.00 0.00 H new ATOM 0 HE21 GLN A 38 11.547 -12.496 -10.185 1.00 0.00 H new ATOM 0 HE22 GLN A 38 9.919 -12.953 -9.672 1.00 0.00 H new ATOM 555 N GLU A 39 11.652 -10.128 -5.979 1.00 0.00 N ATOM 556 CA GLU A 39 10.972 -10.924 -4.913 1.00 0.00 C ATOM 557 C GLU A 39 10.193 -9.984 -3.993 1.00 0.00 C ATOM 558 O GLU A 39 9.149 -10.342 -3.477 1.00 0.00 O ATOM 559 CB GLU A 39 12.023 -11.680 -4.095 1.00 0.00 C ATOM 560 CG GLU A 39 12.821 -12.602 -5.017 1.00 0.00 C ATOM 561 CD GLU A 39 12.002 -13.859 -5.316 1.00 0.00 C ATOM 562 OE1 GLU A 39 11.900 -14.698 -4.436 1.00 0.00 O ATOM 563 OE2 GLU A 39 11.490 -13.960 -6.419 1.00 0.00 O ATOM 0 H GLU A 39 12.656 -10.010 -5.843 1.00 0.00 H new ATOM 0 HA GLU A 39 10.285 -11.635 -5.372 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.692 -10.975 -3.601 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.539 -12.262 -3.311 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.064 -12.084 -5.945 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.766 -12.874 -4.547 1.00 0.00 H new ATOM 570 N MET A 40 10.696 -8.782 -3.799 1.00 0.00 N ATOM 571 CA MET A 40 10.012 -7.791 -2.931 1.00 0.00 C ATOM 572 C MET A 40 8.745 -7.334 -3.642 1.00 0.00 C ATOM 573 O MET A 40 7.652 -7.410 -3.102 1.00 0.00 O ATOM 574 CB MET A 40 10.963 -6.620 -2.730 1.00 0.00 C ATOM 575 CG MET A 40 10.557 -5.819 -1.490 1.00 0.00 C ATOM 576 SD MET A 40 11.144 -6.664 -0.001 1.00 0.00 S ATOM 577 CE MET A 40 11.839 -5.212 0.827 1.00 0.00 C ATOM 0 H MET A 40 11.566 -8.451 -4.217 1.00 0.00 H new ATOM 0 HA MET A 40 9.745 -8.214 -1.963 1.00 0.00 H new ATOM 0 HB2 MET A 40 11.984 -6.986 -2.618 1.00 0.00 H new ATOM 0 HB3 MET A 40 10.950 -5.976 -3.609 1.00 0.00 H new ATOM 0 HG2 MET A 40 10.978 -4.815 -1.540 1.00 0.00 H new ATOM 0 HG3 MET A 40 9.473 -5.709 -1.455 1.00 0.00 H new ATOM 0 HE1 MET A 40 12.296 -5.514 1.769 1.00 0.00 H new ATOM 0 HE2 MET A 40 12.594 -4.755 0.188 1.00 0.00 H new ATOM 0 HE3 MET A 40 11.046 -4.491 1.023 1.00 0.00 H new ATOM 587 N LYS A 41 8.900 -6.883 -4.866 1.00 0.00 N ATOM 588 CA LYS A 41 7.719 -6.426 -5.682 1.00 0.00 C ATOM 589 C LYS A 41 6.697 -7.572 -5.783 1.00 0.00 C ATOM 590 O LYS A 41 5.495 -7.346 -5.755 1.00 0.00 O ATOM 591 CB LYS A 41 8.173 -6.034 -7.100 1.00 0.00 C ATOM 592 CG LYS A 41 6.974 -5.520 -7.906 1.00 0.00 C ATOM 593 CD LYS A 41 7.426 -5.148 -9.320 1.00 0.00 C ATOM 594 CE LYS A 41 6.206 -5.035 -10.241 1.00 0.00 C ATOM 595 NZ LYS A 41 5.840 -3.599 -10.406 1.00 0.00 N ATOM 0 H LYS A 41 9.800 -6.810 -5.341 1.00 0.00 H new ATOM 0 HA LYS A 41 7.267 -5.561 -5.197 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.943 -5.264 -7.045 1.00 0.00 H new ATOM 0 HB3 LYS A 41 8.617 -6.894 -7.600 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.199 -6.285 -7.951 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.537 -4.652 -7.413 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.968 -4.203 -9.302 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.113 -5.902 -9.702 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.427 -5.479 -11.212 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.367 -5.589 -9.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.864 -3.450 -10.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.487 -3.009 -9.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.913 -3.335 -11.409 1.00 0.00 H new ATOM 609 N ALA A 42 7.180 -8.793 -5.902 1.00 0.00 N ATOM 610 CA ALA A 42 6.272 -9.977 -6.013 1.00 0.00 C ATOM 611 C ALA A 42 5.486 -10.142 -4.714 1.00 0.00 C ATOM 612 O ALA A 42 4.311 -10.484 -4.731 1.00 0.00 O ATOM 613 CB ALA A 42 7.102 -11.237 -6.267 1.00 0.00 C ATOM 0 H ALA A 42 8.175 -9.016 -5.927 1.00 0.00 H new ATOM 0 HA ALA A 42 5.580 -9.824 -6.841 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.440 -12.099 -6.348 1.00 0.00 H new ATOM 0 HB2 ALA A 42 7.663 -11.122 -7.195 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.796 -11.389 -5.440 1.00 0.00 H new ATOM 619 N ARG A 43 6.130 -9.900 -3.592 1.00 0.00 N ATOM 620 CA ARG A 43 5.446 -10.035 -2.271 1.00 0.00 C ATOM 621 C ARG A 43 4.336 -8.989 -2.167 1.00 0.00 C ATOM 622 O ARG A 43 3.245 -9.285 -1.705 1.00 0.00 O ATOM 623 CB ARG A 43 6.462 -9.835 -1.138 1.00 0.00 C ATOM 624 CG ARG A 43 6.778 -11.187 -0.486 1.00 0.00 C ATOM 625 CD ARG A 43 7.457 -12.096 -1.510 1.00 0.00 C ATOM 626 NE ARG A 43 7.817 -13.395 -0.874 1.00 0.00 N ATOM 627 CZ ARG A 43 8.161 -14.410 -1.619 1.00 0.00 C ATOM 628 NH1 ARG A 43 9.309 -14.403 -2.242 1.00 0.00 N ATOM 629 NH2 ARG A 43 7.358 -15.430 -1.746 1.00 0.00 N ATOM 0 H ARG A 43 7.107 -9.613 -3.540 1.00 0.00 H new ATOM 0 HA ARG A 43 5.012 -11.031 -2.185 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.375 -9.386 -1.530 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.062 -9.146 -0.394 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.428 -11.044 0.378 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.861 -11.651 -0.122 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.791 -12.267 -2.356 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.352 -11.612 -1.902 1.00 0.00 H new ATOM 0 HE ARG A 43 7.795 -13.491 0.141 1.00 0.00 H new ATOM 0 HH11 ARG A 43 9.936 -13.604 -2.146 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.578 -15.196 -2.824 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.460 -15.435 -1.263 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.628 -16.222 -2.329 1.00 0.00 H new ATOM 643 N CYS A 44 4.613 -7.773 -2.595 1.00 0.00 N ATOM 644 CA CYS A 44 3.583 -6.685 -2.527 1.00 0.00 C ATOM 645 C CYS A 44 2.404 -6.995 -3.442 1.00 0.00 C ATOM 646 O CYS A 44 1.284 -6.644 -3.128 1.00 0.00 O ATOM 647 CB CYS A 44 4.159 -5.358 -2.969 1.00 0.00 C ATOM 648 SG CYS A 44 5.054 -4.629 -1.597 1.00 0.00 S ATOM 0 H CYS A 44 5.511 -7.490 -2.989 1.00 0.00 H new ATOM 0 HA CYS A 44 3.257 -6.628 -1.488 1.00 0.00 H new ATOM 0 HB2 CYS A 44 4.825 -5.501 -3.820 1.00 0.00 H new ATOM 0 HB3 CYS A 44 3.361 -4.691 -3.296 1.00 0.00 H new ATOM 653 N CYS A 45 2.650 -7.621 -4.577 1.00 0.00 N ATOM 654 CA CYS A 45 1.532 -7.932 -5.523 1.00 0.00 C ATOM 655 C CYS A 45 0.711 -9.093 -4.965 1.00 0.00 C ATOM 656 O CYS A 45 -0.487 -9.179 -5.201 1.00 0.00 O ATOM 657 CB CYS A 45 2.091 -8.299 -6.906 1.00 0.00 C ATOM 658 SG CYS A 45 2.962 -6.890 -7.666 1.00 0.00 S ATOM 0 H CYS A 45 3.574 -7.927 -4.883 1.00 0.00 H new ATOM 0 HA CYS A 45 0.896 -7.054 -5.631 1.00 0.00 H new ATOM 0 HB2 CYS A 45 2.774 -9.143 -6.812 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.277 -8.619 -7.556 1.00 0.00 H new ATOM 663 N ARG A 46 1.344 -9.973 -4.217 1.00 0.00 N ATOM 664 CA ARG A 46 0.619 -11.133 -3.624 1.00 0.00 C ATOM 665 C ARG A 46 -0.250 -10.636 -2.474 1.00 0.00 C ATOM 666 O ARG A 46 -1.312 -11.177 -2.220 1.00 0.00 O ATOM 667 CB ARG A 46 1.631 -12.142 -3.087 1.00 0.00 C ATOM 668 CG ARG A 46 0.980 -13.523 -2.993 1.00 0.00 C ATOM 669 CD ARG A 46 1.982 -14.528 -2.417 1.00 0.00 C ATOM 670 NE ARG A 46 1.908 -15.801 -3.188 1.00 0.00 N ATOM 671 CZ ARG A 46 2.391 -16.900 -2.678 1.00 0.00 C ATOM 672 NH1 ARG A 46 3.573 -16.897 -2.125 1.00 0.00 N ATOM 673 NH2 ARG A 46 1.693 -18.002 -2.719 1.00 0.00 N ATOM 0 H ARG A 46 2.339 -9.931 -3.995 1.00 0.00 H new ATOM 0 HA ARG A 46 -0.002 -11.608 -4.383 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.501 -12.183 -3.742 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.986 -11.829 -2.105 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.094 -13.475 -2.361 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.650 -13.848 -3.980 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.991 -14.119 -2.465 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.763 -14.714 -1.366 1.00 0.00 H new ATOM 0 HE ARG A 46 1.480 -15.813 -4.114 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.118 -16.036 -2.092 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.952 -17.756 -1.726 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.769 -18.004 -3.150 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.072 -18.861 -2.320 1.00 0.00 H new ATOM 687 N GLN A 47 0.204 -9.609 -1.780 1.00 0.00 N ATOM 688 CA GLN A 47 -0.584 -9.053 -0.628 1.00 0.00 C ATOM 689 C GLN A 47 -1.721 -8.164 -1.147 1.00 0.00 C ATOM 690 O GLN A 47 -2.801 -8.126 -0.574 1.00 0.00 O ATOM 691 CB GLN A 47 0.338 -8.228 0.276 1.00 0.00 C ATOM 692 CG GLN A 47 1.535 -9.084 0.719 1.00 0.00 C ATOM 693 CD GLN A 47 1.664 -9.054 2.245 1.00 0.00 C ATOM 694 OE1 GLN A 47 0.720 -9.342 2.952 1.00 0.00 O ATOM 695 NE2 GLN A 47 2.804 -8.715 2.783 1.00 0.00 N ATOM 0 H GLN A 47 1.087 -9.134 -1.964 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.009 -9.879 -0.059 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.689 -7.344 -0.257 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.212 -7.877 1.149 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.405 -10.111 0.377 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.450 -8.709 0.261 1.00 0.00 H new ATOM 0 HE21 GLN A 47 3.597 -8.473 2.188 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.902 -8.692 3.798 1.00 0.00 H new ATOM 704 N LEU A 48 -1.469 -7.448 -2.219 1.00 0.00 N ATOM 705 CA LEU A 48 -2.491 -6.535 -2.807 1.00 0.00 C ATOM 706 C LEU A 48 -3.613 -7.366 -3.426 1.00 0.00 C ATOM 707 O LEU A 48 -4.775 -7.005 -3.337 1.00 0.00 O ATOM 708 CB LEU A 48 -1.828 -5.663 -3.878 1.00 0.00 C ATOM 709 CG LEU A 48 -2.676 -4.408 -4.124 1.00 0.00 C ATOM 710 CD1 LEU A 48 -1.762 -3.188 -4.270 1.00 0.00 C ATOM 711 CD2 LEU A 48 -3.496 -4.583 -5.405 1.00 0.00 C ATOM 0 H LEU A 48 -0.579 -7.462 -2.717 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.910 -5.894 -2.031 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.825 -5.379 -3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.720 -6.228 -4.804 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.348 -4.260 -3.279 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.367 -2.299 -4.445 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.181 -3.058 -3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.087 -3.338 -5.112 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.097 -3.690 -5.577 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.824 -4.736 -6.249 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.152 -5.448 -5.302 1.00 0.00 H new ATOM 723 N GLU A 49 -3.269 -8.484 -4.034 1.00 0.00 N ATOM 724 CA GLU A 49 -4.312 -9.364 -4.650 1.00 0.00 C ATOM 725 C GLU A 49 -5.035 -10.117 -3.532 1.00 0.00 C ATOM 726 O GLU A 49 -6.249 -10.234 -3.548 1.00 0.00 O ATOM 727 CB GLU A 49 -3.655 -10.358 -5.610 1.00 0.00 C ATOM 728 CG GLU A 49 -4.732 -11.015 -6.476 1.00 0.00 C ATOM 729 CD GLU A 49 -4.252 -12.395 -6.930 1.00 0.00 C ATOM 730 OE1 GLU A 49 -3.318 -12.448 -7.715 1.00 0.00 O ATOM 731 OE2 GLU A 49 -4.827 -13.377 -6.486 1.00 0.00 O ATOM 0 H GLU A 49 -2.311 -8.821 -4.128 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.024 -8.760 -5.212 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.928 -9.846 -6.240 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.111 -11.117 -5.049 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.660 -11.109 -5.912 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.948 -10.390 -7.343 1.00 0.00 H new ATOM 738 N ALA A 50 -4.297 -10.592 -2.536 1.00 0.00 N ATOM 739 CA ALA A 50 -4.935 -11.304 -1.369 1.00 0.00 C ATOM 740 C ALA A 50 -6.012 -10.375 -0.801 1.00 0.00 C ATOM 741 O ALA A 50 -7.093 -10.797 -0.439 1.00 0.00 O ATOM 742 CB ALA A 50 -3.881 -11.600 -0.293 1.00 0.00 C ATOM 0 H ALA A 50 -3.281 -10.515 -2.486 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.370 -12.251 -1.688 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.351 -12.114 0.545 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.099 -12.232 -0.714 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.443 -10.664 0.055 1.00 0.00 H new ATOM 748 N ILE A 51 -5.702 -9.100 -0.793 1.00 0.00 N ATOM 749 CA ILE A 51 -6.652 -8.049 -0.339 1.00 0.00 C ATOM 750 C ILE A 51 -7.633 -7.804 -1.504 1.00 0.00 C ATOM 751 O ILE A 51 -7.225 -7.244 -2.505 1.00 0.00 O ATOM 752 CB ILE A 51 -5.870 -6.772 -0.017 1.00 0.00 C ATOM 753 CG1 ILE A 51 -4.893 -7.063 1.126 1.00 0.00 C ATOM 754 CG2 ILE A 51 -6.836 -5.663 0.409 1.00 0.00 C ATOM 755 CD1 ILE A 51 -3.784 -6.010 1.137 1.00 0.00 C ATOM 0 H ILE A 51 -4.797 -8.739 -1.094 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.193 -8.351 0.558 1.00 0.00 H new ATOM 0 HB ILE A 51 -5.323 -6.447 -0.902 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.422 -7.058 2.079 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.463 -8.057 1.005 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.273 -4.758 0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.537 -5.460 -0.401 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.386 -5.980 1.295 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.091 -6.220 1.951 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.248 -6.036 0.188 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.222 -5.022 1.279 1.00 0.00 H new ATOM 767 N PRO A 52 -8.871 -8.282 -1.398 1.00 0.00 N ATOM 768 CA PRO A 52 -9.850 -8.159 -2.502 1.00 0.00 C ATOM 769 C PRO A 52 -10.108 -6.694 -2.854 1.00 0.00 C ATOM 770 O PRO A 52 -9.958 -5.813 -2.025 1.00 0.00 O ATOM 771 CB PRO A 52 -11.098 -8.882 -1.975 1.00 0.00 C ATOM 772 CG PRO A 52 -10.950 -8.926 -0.443 1.00 0.00 C ATOM 773 CD PRO A 52 -9.436 -8.907 -0.174 1.00 0.00 C ATOM 0 HA PRO A 52 -9.501 -8.599 -3.436 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -12.006 -8.353 -2.264 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -11.170 -9.888 -2.389 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.442 -8.072 0.023 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.410 -9.824 -0.030 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.195 -8.330 0.719 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.044 -9.912 -0.019 1.00 0.00 H new ATOM 781 N ALA A 53 -10.467 -6.442 -4.103 1.00 0.00 N ATOM 782 CA ALA A 53 -10.725 -5.044 -4.604 1.00 0.00 C ATOM 783 C ALA A 53 -11.501 -4.215 -3.573 1.00 0.00 C ATOM 784 O ALA A 53 -11.345 -3.007 -3.511 1.00 0.00 O ATOM 785 CB ALA A 53 -11.518 -5.121 -5.906 1.00 0.00 C ATOM 0 H ALA A 53 -10.594 -7.166 -4.810 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.767 -4.553 -4.774 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.709 -4.114 -6.276 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.946 -5.677 -6.648 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.466 -5.627 -5.725 1.00 0.00 H new ATOM 791 N TYR A 54 -12.316 -4.859 -2.760 1.00 0.00 N ATOM 792 CA TYR A 54 -13.087 -4.125 -1.709 1.00 0.00 C ATOM 793 C TYR A 54 -12.095 -3.584 -0.675 1.00 0.00 C ATOM 794 O TYR A 54 -11.349 -4.344 -0.079 1.00 0.00 O ATOM 795 CB TYR A 54 -14.066 -5.083 -1.021 1.00 0.00 C ATOM 796 CG TYR A 54 -15.375 -5.112 -1.775 1.00 0.00 C ATOM 797 CD1 TYR A 54 -16.392 -4.207 -1.446 1.00 0.00 C ATOM 798 CD2 TYR A 54 -15.574 -6.049 -2.796 1.00 0.00 C ATOM 799 CE1 TYR A 54 -17.608 -4.240 -2.140 1.00 0.00 C ATOM 800 CE2 TYR A 54 -16.790 -6.080 -3.489 1.00 0.00 C ATOM 801 CZ TYR A 54 -17.807 -5.176 -3.161 1.00 0.00 C ATOM 802 OH TYR A 54 -19.005 -5.208 -3.843 1.00 0.00 O ATOM 0 H TYR A 54 -12.477 -5.866 -2.784 1.00 0.00 H new ATOM 0 HA TYR A 54 -13.649 -3.308 -2.161 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -13.639 -6.085 -0.979 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -14.236 -4.766 0.008 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -16.239 -3.485 -0.658 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -14.790 -6.747 -3.049 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -18.393 -3.542 -1.887 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -16.943 -6.802 -4.277 1.00 0.00 H new ATOM 0 HH TYR A 54 -18.977 -5.916 -4.520 1.00 0.00 H new ATOM 812 N CYS A 55 -12.082 -2.281 -0.469 1.00 0.00 N ATOM 813 CA CYS A 55 -11.144 -1.658 0.524 1.00 0.00 C ATOM 814 C CYS A 55 -9.674 -1.937 0.131 1.00 0.00 C ATOM 815 O CYS A 55 -8.784 -1.764 0.947 1.00 0.00 O ATOM 816 CB CYS A 55 -11.421 -2.240 1.916 1.00 0.00 C ATOM 817 SG CYS A 55 -12.985 -1.573 2.547 1.00 0.00 S ATOM 0 H CYS A 55 -12.689 -1.619 -0.953 1.00 0.00 H new ATOM 0 HA CYS A 55 -11.304 -0.580 0.533 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -11.471 -3.328 1.864 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -10.606 -1.991 2.595 1.00 0.00 H new ATOM 0 HG CYS A 55 -13.223 -2.067 3.726 1.00 0.00 H new ATOM 822 N ARG A 56 -9.407 -2.365 -1.105 1.00 0.00 N ATOM 823 CA ARG A 56 -7.995 -2.654 -1.547 1.00 0.00 C ATOM 824 C ARG A 56 -7.075 -1.460 -1.186 1.00 0.00 C ATOM 825 O ARG A 56 -6.518 -1.441 -0.103 1.00 0.00 O ATOM 826 CB ARG A 56 -7.991 -2.926 -3.065 1.00 0.00 C ATOM 827 CG ARG A 56 -6.562 -3.170 -3.576 1.00 0.00 C ATOM 828 CD ARG A 56 -6.268 -4.679 -3.606 1.00 0.00 C ATOM 829 NE ARG A 56 -6.850 -5.337 -4.829 1.00 0.00 N ATOM 830 CZ ARG A 56 -6.733 -4.791 -6.015 1.00 0.00 C ATOM 831 NH1 ARG A 56 -7.500 -3.794 -6.358 1.00 0.00 N ATOM 832 NH2 ARG A 56 -5.855 -5.254 -6.860 1.00 0.00 N ATOM 0 H ARG A 56 -10.116 -2.524 -1.821 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.613 -3.536 -1.033 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.613 -3.794 -3.284 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.430 -2.078 -3.591 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.446 -2.748 -4.574 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.844 -2.663 -2.931 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.190 -4.840 -3.585 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.678 -5.147 -2.711 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.344 -6.224 -4.733 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.195 -3.436 -5.702 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.405 -3.372 -7.282 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.260 -6.040 -6.598 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.763 -4.830 -7.783 1.00 0.00 H new ATOM 846 N CYS A 57 -6.898 -0.492 -2.087 1.00 0.00 N ATOM 847 CA CYS A 57 -5.999 0.706 -1.821 1.00 0.00 C ATOM 848 C CYS A 57 -5.960 1.144 -0.332 1.00 0.00 C ATOM 849 O CYS A 57 -4.924 1.594 0.125 1.00 0.00 O ATOM 850 CB CYS A 57 -6.454 1.879 -2.699 1.00 0.00 C ATOM 851 SG CYS A 57 -5.904 1.576 -4.400 1.00 0.00 S ATOM 0 H CYS A 57 -7.344 -0.484 -3.004 1.00 0.00 H new ATOM 0 HA CYS A 57 -4.983 0.401 -2.071 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -7.539 1.979 -2.664 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -6.036 2.814 -2.327 1.00 0.00 H new ATOM 0 HG CYS A 57 -6.718 0.743 -4.977 1.00 0.00 H new ATOM 856 N GLU A 58 -7.054 1.021 0.424 1.00 0.00 N ATOM 857 CA GLU A 58 -7.065 1.421 1.879 1.00 0.00 C ATOM 858 C GLU A 58 -5.760 1.012 2.599 1.00 0.00 C ATOM 859 O GLU A 58 -5.147 1.833 3.249 1.00 0.00 O ATOM 860 CB GLU A 58 -8.248 0.737 2.572 1.00 0.00 C ATOM 861 CG GLU A 58 -8.836 1.673 3.630 1.00 0.00 C ATOM 862 CD GLU A 58 -9.999 2.458 3.023 1.00 0.00 C ATOM 863 OE1 GLU A 58 -9.750 3.257 2.136 1.00 0.00 O ATOM 864 OE2 GLU A 58 -11.121 2.244 3.454 1.00 0.00 O ATOM 0 H GLU A 58 -7.943 0.656 0.082 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.153 2.506 1.930 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.011 0.477 1.838 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.922 -0.194 3.036 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.180 1.098 4.489 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -8.069 2.358 3.992 1.00 0.00 H new ATOM 871 N ALA A 59 -5.350 -0.249 2.493 1.00 0.00 N ATOM 872 CA ALA A 59 -4.092 -0.746 3.173 1.00 0.00 C ATOM 873 C ALA A 59 -2.948 0.277 3.092 1.00 0.00 C ATOM 874 O ALA A 59 -2.304 0.572 4.087 1.00 0.00 O ATOM 875 CB ALA A 59 -3.642 -2.051 2.512 1.00 0.00 C ATOM 0 H ALA A 59 -5.844 -0.961 1.956 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.326 -0.905 4.226 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.736 -2.412 2.999 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.429 -2.799 2.610 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.440 -1.873 1.456 1.00 0.00 H new ATOM 881 N VAL A 60 -2.700 0.815 1.920 1.00 0.00 N ATOM 882 CA VAL A 60 -1.609 1.833 1.753 1.00 0.00 C ATOM 883 C VAL A 60 -1.889 3.016 2.684 1.00 0.00 C ATOM 884 O VAL A 60 -1.025 3.449 3.429 1.00 0.00 O ATOM 885 CB VAL A 60 -1.576 2.325 0.306 1.00 0.00 C ATOM 886 CG1 VAL A 60 -0.358 3.228 0.101 1.00 0.00 C ATOM 887 CG2 VAL A 60 -1.485 1.126 -0.638 1.00 0.00 C ATOM 0 H VAL A 60 -3.210 0.591 1.065 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.648 1.382 1.999 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.485 2.887 0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.335 3.579 -0.931 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.422 4.083 0.774 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.551 2.666 0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.461 1.476 -1.670 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.576 0.563 -0.425 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.353 0.482 -0.493 1.00 0.00 H new ATOM 897 N ARG A 61 -3.106 3.520 2.646 1.00 0.00 N ATOM 898 CA ARG A 61 -3.503 4.667 3.526 1.00 0.00 C ATOM 899 C ARG A 61 -3.303 4.284 5.002 1.00 0.00 C ATOM 900 O ARG A 61 -3.119 5.138 5.847 1.00 0.00 O ATOM 901 CB ARG A 61 -4.978 5.002 3.285 1.00 0.00 C ATOM 902 CG ARG A 61 -5.091 6.120 2.243 1.00 0.00 C ATOM 903 CD ARG A 61 -5.263 7.470 2.949 1.00 0.00 C ATOM 904 NE ARG A 61 -6.311 8.267 2.252 1.00 0.00 N ATOM 905 CZ ARG A 61 -6.453 9.535 2.523 1.00 0.00 C ATOM 906 NH1 ARG A 61 -6.659 9.919 3.753 1.00 0.00 N ATOM 907 NH2 ARG A 61 -6.391 10.419 1.565 1.00 0.00 N ATOM 0 H ARG A 61 -3.847 3.179 2.034 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.884 5.533 3.291 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -5.510 4.116 2.940 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.447 5.313 4.218 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.199 6.138 1.616 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.939 5.932 1.585 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.543 7.314 3.991 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.319 8.014 2.951 1.00 0.00 H new ATOM 0 HE ARG A 61 -6.917 7.821 1.563 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.709 9.228 4.501 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.770 10.910 3.966 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -6.231 10.119 0.603 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.502 11.410 1.778 1.00 0.00 H new ATOM 921 N ILE A 62 -3.365 3.006 5.305 1.00 0.00 N ATOM 922 CA ILE A 62 -3.194 2.516 6.712 1.00 0.00 C ATOM 923 C ILE A 62 -1.711 2.488 7.087 1.00 0.00 C ATOM 924 O ILE A 62 -1.369 2.634 8.248 1.00 0.00 O ATOM 925 CB ILE A 62 -3.802 1.099 6.809 1.00 0.00 C ATOM 926 CG1 ILE A 62 -5.330 1.210 6.809 1.00 0.00 C ATOM 927 CG2 ILE A 62 -3.336 0.365 8.079 1.00 0.00 C ATOM 928 CD1 ILE A 62 -5.930 0.003 6.086 1.00 0.00 C ATOM 0 H ILE A 62 -3.530 2.268 4.621 1.00 0.00 H new ATOM 0 HA ILE A 62 -3.702 3.186 7.406 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.463 0.521 5.949 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.702 1.256 7.833 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.638 2.132 6.316 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.785 -0.628 8.111 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.250 0.272 8.068 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.642 0.930 8.959 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.017 0.082 6.086 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.568 -0.022 5.058 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -5.633 -0.912 6.598 1.00 0.00 H new ATOM 940 N LEU A 63 -0.845 2.260 6.132 1.00 0.00 N ATOM 941 CA LEU A 63 0.607 2.188 6.446 1.00 0.00 C ATOM 942 C LEU A 63 1.157 3.599 6.616 1.00 0.00 C ATOM 943 O LEU A 63 1.940 3.856 7.514 1.00 0.00 O ATOM 944 CB LEU A 63 1.339 1.457 5.314 1.00 0.00 C ATOM 945 CG LEU A 63 2.672 0.895 5.818 1.00 0.00 C ATOM 946 CD1 LEU A 63 3.270 -0.021 4.749 1.00 0.00 C ATOM 947 CD2 LEU A 63 3.646 2.037 6.098 1.00 0.00 C ATOM 0 H LEU A 63 -1.084 2.121 5.150 1.00 0.00 H new ATOM 0 HA LEU A 63 0.760 1.637 7.374 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.716 0.648 4.932 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.516 2.142 4.484 1.00 0.00 H new ATOM 0 HG LEU A 63 2.499 0.334 6.736 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.219 -0.423 5.104 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.581 -0.841 4.546 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.436 0.548 3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.591 1.629 6.456 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.818 2.601 5.182 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.225 2.697 6.857 1.00 0.00 H new ATOM 959 N MET A 64 0.752 4.505 5.760 1.00 0.00 N ATOM 960 CA MET A 64 1.241 5.912 5.852 1.00 0.00 C ATOM 961 C MET A 64 0.499 6.662 6.966 1.00 0.00 C ATOM 962 O MET A 64 1.118 7.260 7.830 1.00 0.00 O ATOM 963 CB MET A 64 1.008 6.622 4.513 1.00 0.00 C ATOM 964 CG MET A 64 1.807 7.925 4.483 1.00 0.00 C ATOM 965 SD MET A 64 3.492 7.587 3.914 1.00 0.00 S ATOM 966 CE MET A 64 4.342 8.048 5.443 1.00 0.00 C ATOM 0 H MET A 64 0.099 4.327 4.997 1.00 0.00 H new ATOM 0 HA MET A 64 2.306 5.902 6.083 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.313 5.977 3.689 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.054 6.830 4.379 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.325 8.644 3.820 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.830 8.373 5.477 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.416 7.915 5.316 1.00 0.00 H new ATOM 0 HE2 MET A 64 4.131 9.092 5.676 1.00 0.00 H new ATOM 0 HE3 MET A 64 3.992 7.416 6.259 1.00 0.00 H new ATOM 976 N ASP A 65 -0.820 6.646 6.931 1.00 0.00 N ATOM 977 CA ASP A 65 -1.634 7.370 7.964 1.00 0.00 C ATOM 978 C ASP A 65 -1.768 6.546 9.250 1.00 0.00 C ATOM 979 O ASP A 65 -2.057 7.098 10.301 1.00 0.00 O ATOM 980 CB ASP A 65 -3.019 7.802 7.404 1.00 0.00 C ATOM 981 CG ASP A 65 -2.866 8.311 5.963 1.00 0.00 C ATOM 982 OD1 ASP A 65 -1.911 9.028 5.700 1.00 0.00 O ATOM 983 OD2 ASP A 65 -3.711 7.978 5.148 1.00 0.00 O ATOM 0 H ASP A 65 -1.369 6.157 6.224 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.098 8.283 8.222 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.710 6.959 7.430 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.447 8.584 8.031 1.00 0.00 H new ATOM 988 N GLY A 66 -1.591 5.234 9.178 1.00 0.00 N ATOM 989 CA GLY A 66 -1.744 4.382 10.402 1.00 0.00 C ATOM 990 C GLY A 66 -3.224 3.998 10.575 1.00 0.00 C ATOM 991 O GLY A 66 -4.112 4.731 10.174 1.00 0.00 O ATOM 0 H GLY A 66 -1.349 4.727 8.326 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.132 3.484 10.313 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.392 4.922 11.281 1.00 0.00 H new ATOM 995 N VAL A 67 -3.475 2.845 11.155 1.00 0.00 N ATOM 996 CA VAL A 67 -4.879 2.346 11.366 1.00 0.00 C ATOM 997 C VAL A 67 -5.169 2.183 12.859 1.00 0.00 C ATOM 998 O VAL A 67 -4.266 2.086 13.672 1.00 0.00 O ATOM 999 CB VAL A 67 -5.062 0.996 10.661 1.00 0.00 C ATOM 1000 CG1 VAL A 67 -4.011 0.005 11.165 1.00 0.00 C ATOM 1001 CG2 VAL A 67 -6.467 0.430 10.929 1.00 0.00 C ATOM 0 H VAL A 67 -2.751 2.214 11.499 1.00 0.00 H new ATOM 0 HA VAL A 67 -5.573 3.075 10.947 1.00 0.00 H new ATOM 0 HB VAL A 67 -4.943 1.147 9.588 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.144 -0.953 10.662 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.014 0.392 10.952 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.125 -0.131 12.240 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.577 -0.528 10.420 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -6.604 0.289 12.001 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.217 1.127 10.556 1.00 0.00 H new ATOM 1011 N VAL A 68 -6.438 2.150 13.203 1.00 0.00 N ATOM 1012 CA VAL A 68 -6.850 1.988 14.625 1.00 0.00 C ATOM 1013 C VAL A 68 -7.576 0.643 14.767 1.00 0.00 C ATOM 1014 O VAL A 68 -8.056 0.074 13.800 1.00 0.00 O ATOM 1015 CB VAL A 68 -7.757 3.164 15.042 1.00 0.00 C ATOM 1016 CG1 VAL A 68 -8.454 2.876 16.383 1.00 0.00 C ATOM 1017 CG2 VAL A 68 -6.895 4.421 15.192 1.00 0.00 C ATOM 0 H VAL A 68 -7.212 2.230 12.544 1.00 0.00 H new ATOM 0 HA VAL A 68 -5.980 1.994 15.282 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.520 3.305 14.277 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.087 3.721 16.653 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -9.067 1.979 16.289 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -7.703 2.723 17.158 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.524 5.261 15.487 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.135 4.252 15.955 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -6.411 4.646 14.241 1.00 0.00 H new ATOM 1027 N THR A 69 -7.597 0.131 15.971 1.00 0.00 N ATOM 1028 CA THR A 69 -8.213 -1.196 16.260 1.00 0.00 C ATOM 1029 C THR A 69 -9.387 -1.033 17.220 1.00 0.00 C ATOM 1030 O THR A 69 -9.536 -0.020 17.877 1.00 0.00 O ATOM 1031 CB THR A 69 -7.167 -2.145 16.853 1.00 0.00 C ATOM 1032 OG1 THR A 69 -6.508 -1.514 17.935 1.00 0.00 O ATOM 1033 CG2 THR A 69 -6.146 -2.512 15.776 1.00 0.00 C ATOM 0 H THR A 69 -7.200 0.594 16.789 1.00 0.00 H new ATOM 0 HA THR A 69 -8.583 -1.623 15.328 1.00 0.00 H new ATOM 0 HB THR A 69 -7.660 -3.049 17.211 1.00 0.00 H new ATOM 0 HG1 THR A 69 -6.007 -0.739 17.606 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.401 -3.187 16.196 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.654 -3.003 14.946 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.655 -1.608 15.417 1.00 0.00 H new ATOM 1041 N SER A 70 -10.243 -2.020 17.240 1.00 0.00 N ATOM 1042 CA SER A 70 -11.472 -2.000 18.092 1.00 0.00 C ATOM 1043 C SER A 70 -11.118 -1.917 19.579 1.00 0.00 C ATOM 1044 O SER A 70 -11.905 -1.443 20.382 1.00 0.00 O ATOM 1045 CB SER A 70 -12.261 -3.281 17.824 1.00 0.00 C ATOM 1046 OG SER A 70 -13.490 -3.236 18.537 1.00 0.00 O ATOM 0 H SER A 70 -10.138 -2.868 16.683 1.00 0.00 H new ATOM 0 HA SER A 70 -12.064 -1.120 17.842 1.00 0.00 H new ATOM 0 HB2 SER A 70 -12.451 -3.387 16.756 1.00 0.00 H new ATOM 0 HB3 SER A 70 -11.680 -4.150 18.133 1.00 0.00 H new ATOM 0 HG SER A 70 -13.998 -4.056 18.365 1.00 0.00 H new ATOM 1052 N SER A 71 -9.950 -2.382 19.938 1.00 0.00 N ATOM 1053 CA SER A 71 -9.507 -2.355 21.373 1.00 0.00 C ATOM 1054 C SER A 71 -8.988 -0.962 21.755 1.00 0.00 C ATOM 1055 O SER A 71 -8.814 -0.670 22.928 1.00 0.00 O ATOM 1056 CB SER A 71 -8.390 -3.378 21.583 1.00 0.00 C ATOM 1057 OG SER A 71 -7.511 -3.356 20.465 1.00 0.00 O ATOM 0 H SER A 71 -9.272 -2.786 19.292 1.00 0.00 H new ATOM 0 HA SER A 71 -10.363 -2.599 22.002 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.840 -3.150 22.496 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.814 -4.375 21.707 1.00 0.00 H new ATOM 0 HG SER A 71 -6.610 -3.611 20.753 1.00 0.00 H new ATOM 1063 N GLY A 72 -8.729 -0.116 20.780 1.00 0.00 N ATOM 1064 CA GLY A 72 -8.203 1.257 21.067 1.00 0.00 C ATOM 1065 C GLY A 72 -6.684 1.289 20.813 1.00 0.00 C ATOM 1066 O GLY A 72 -6.015 2.228 21.211 1.00 0.00 O ATOM 0 H GLY A 72 -8.862 -0.323 19.790 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.704 1.989 20.434 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -8.415 1.531 22.100 1.00 0.00 H new ATOM 1070 N GLN A 73 -6.137 0.270 20.156 1.00 0.00 N ATOM 1071 CA GLN A 73 -4.665 0.236 19.875 1.00 0.00 C ATOM 1072 C GLN A 73 -4.419 0.701 18.439 1.00 0.00 C ATOM 1073 O GLN A 73 -5.299 0.620 17.614 1.00 0.00 O ATOM 1074 CB GLN A 73 -4.146 -1.193 20.050 1.00 0.00 C ATOM 1075 CG GLN A 73 -4.449 -1.676 21.470 1.00 0.00 C ATOM 1076 CD GLN A 73 -4.150 -3.173 21.580 1.00 0.00 C ATOM 1077 OE1 GLN A 73 -4.652 -3.993 20.697 1.00 0.00 O flip ATOM 1078 NE2 GLN A 73 -3.453 -3.601 22.478 1.00 0.00 N flip ATOM 0 H GLN A 73 -6.657 -0.535 19.807 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.141 0.895 20.567 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -4.616 -1.854 19.322 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -3.072 -1.227 19.864 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.847 -1.121 22.190 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -5.494 -1.485 21.714 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -3.060 -2.961 23.168 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -3.260 -4.601 22.542 1.00 0.00 H new ATOM 1087 N HIS A 74 -3.232 1.181 18.137 1.00 0.00 N ATOM 1088 CA HIS A 74 -2.929 1.651 16.753 1.00 0.00 C ATOM 1089 C HIS A 74 -1.847 0.757 16.161 1.00 0.00 C ATOM 1090 O HIS A 74 -1.069 0.155 16.884 1.00 0.00 O ATOM 1091 CB HIS A 74 -2.391 3.076 16.796 1.00 0.00 C ATOM 1092 CG HIS A 74 -3.511 4.076 16.921 1.00 0.00 C ATOM 1093 ND1 HIS A 74 -3.517 5.258 16.196 1.00 0.00 N ATOM 1094 CD2 HIS A 74 -4.650 4.102 17.687 1.00 0.00 C ATOM 1095 CE1 HIS A 74 -4.625 5.940 16.537 1.00 0.00 C ATOM 1096 NE2 HIS A 74 -5.352 5.280 17.443 1.00 0.00 N ATOM 0 H HIS A 74 -2.459 1.266 18.797 1.00 0.00 H new ATOM 0 HA HIS A 74 -3.839 1.616 16.154 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -1.707 3.184 17.638 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -1.818 3.279 15.891 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -4.955 3.327 18.374 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -4.894 6.903 16.129 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -6.232 5.575 17.865 1.00 0.00 H new ATOM 1104 N GLU A 75 -1.798 0.674 14.852 1.00 0.00 N ATOM 1105 CA GLU A 75 -0.773 -0.180 14.175 1.00 0.00 C ATOM 1106 C GLU A 75 -0.321 0.476 12.873 1.00 0.00 C ATOM 1107 O GLU A 75 -0.737 1.577 12.547 1.00 0.00 O ATOM 1108 CB GLU A 75 -1.352 -1.567 13.878 1.00 0.00 C ATOM 1109 CG GLU A 75 -2.032 -2.129 15.130 1.00 0.00 C ATOM 1110 CD GLU A 75 -2.115 -3.653 15.028 1.00 0.00 C ATOM 1111 OE1 GLU A 75 -1.079 -4.273 14.860 1.00 0.00 O ATOM 1112 OE2 GLU A 75 -3.215 -4.174 15.119 1.00 0.00 O ATOM 0 H GLU A 75 -2.430 1.166 14.220 1.00 0.00 H new ATOM 0 HA GLU A 75 0.084 -0.287 14.839 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.071 -1.503 13.061 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -0.558 -2.239 13.552 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.471 -1.844 16.020 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.031 -1.706 15.234 1.00 0.00 H new ATOM 1119 N GLY A 76 0.541 -0.196 12.140 1.00 0.00 N ATOM 1120 CA GLY A 76 1.067 0.358 10.855 1.00 0.00 C ATOM 1121 C GLY A 76 1.779 1.679 11.141 1.00 0.00 C ATOM 1122 O GLY A 76 2.450 1.822 12.151 1.00 0.00 O ATOM 0 H GLY A 76 0.905 -1.117 12.385 1.00 0.00 H new ATOM 0 HA2 GLY A 76 1.756 -0.349 10.393 1.00 0.00 H new ATOM 0 HA3 GLY A 76 0.251 0.515 10.150 1.00 0.00 H new ATOM 1126 N ARG A 77 1.617 2.643 10.265 1.00 0.00 N ATOM 1127 CA ARG A 77 2.254 3.987 10.459 1.00 0.00 C ATOM 1128 C ARG A 77 3.777 3.838 10.654 1.00 0.00 C ATOM 1129 O ARG A 77 4.417 4.710 11.225 1.00 0.00 O ATOM 1130 CB ARG A 77 1.637 4.646 11.696 1.00 0.00 C ATOM 1131 CG ARG A 77 1.997 6.132 11.719 1.00 0.00 C ATOM 1132 CD ARG A 77 1.062 6.865 12.682 1.00 0.00 C ATOM 1133 NE ARG A 77 1.680 6.909 14.037 1.00 0.00 N ATOM 1134 CZ ARG A 77 1.904 8.057 14.615 1.00 0.00 C ATOM 1135 NH1 ARG A 77 2.463 9.027 13.945 1.00 0.00 N ATOM 1136 NH2 ARG A 77 1.568 8.236 15.863 1.00 0.00 N ATOM 0 H ARG A 77 1.063 2.555 9.413 1.00 0.00 H new ATOM 0 HA ARG A 77 2.079 4.603 9.577 1.00 0.00 H new ATOM 0 HB2 ARG A 77 0.554 4.524 11.683 1.00 0.00 H new ATOM 0 HB3 ARG A 77 2.002 4.159 12.600 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.033 6.262 12.031 1.00 0.00 H new ATOM 0 HG3 ARG A 77 1.910 6.554 10.718 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.874 7.877 12.323 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.098 6.358 12.726 1.00 0.00 H new ATOM 0 HE ARG A 77 1.928 6.042 14.513 1.00 0.00 H new ATOM 0 HH11 ARG A 77 2.725 8.888 12.969 1.00 0.00 H new ATOM 0 HH12 ARG A 77 2.638 9.924 14.397 1.00 0.00 H new ATOM 0 HH21 ARG A 77 1.130 7.478 16.387 1.00 0.00 H new ATOM 0 HH22 ARG A 77 1.743 9.134 16.315 1.00 0.00 H new ATOM 1150 N LEU A 78 4.357 2.741 10.193 1.00 0.00 N ATOM 1151 CA LEU A 78 5.832 2.523 10.358 1.00 0.00 C ATOM 1152 C LEU A 78 6.619 3.300 9.287 1.00 0.00 C ATOM 1153 O LEU A 78 7.816 3.483 9.427 1.00 0.00 O ATOM 1154 CB LEU A 78 6.150 1.018 10.261 1.00 0.00 C ATOM 1155 CG LEU A 78 6.513 0.465 11.655 1.00 0.00 C ATOM 1156 CD1 LEU A 78 5.615 -0.728 11.992 1.00 0.00 C ATOM 1157 CD2 LEU A 78 7.977 0.012 11.668 1.00 0.00 C ATOM 0 H LEU A 78 3.865 1.990 9.709 1.00 0.00 H new ATOM 0 HA LEU A 78 6.132 2.892 11.339 1.00 0.00 H new ATOM 0 HB2 LEU A 78 5.290 0.481 9.860 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.977 0.856 9.570 1.00 0.00 H new ATOM 0 HG LEU A 78 6.367 1.251 12.396 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.877 -1.113 12.977 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.572 -0.410 11.992 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.756 -1.511 11.247 1.00 0.00 H new ATOM 0 HD21 LEU A 78 8.229 -0.378 12.654 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.123 -0.769 10.921 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.622 0.860 11.437 1.00 0.00 H new ATOM 1169 N LEU A 79 5.962 3.765 8.233 1.00 0.00 N ATOM 1170 CA LEU A 79 6.675 4.541 7.169 1.00 0.00 C ATOM 1171 C LEU A 79 7.132 5.877 7.761 1.00 0.00 C ATOM 1172 O LEU A 79 6.407 6.862 7.739 1.00 0.00 O ATOM 1173 CB LEU A 79 5.727 4.777 5.978 1.00 0.00 C ATOM 1174 CG LEU A 79 6.402 4.348 4.663 1.00 0.00 C ATOM 1175 CD1 LEU A 79 6.821 2.869 4.734 1.00 0.00 C ATOM 1176 CD2 LEU A 79 5.421 4.552 3.495 1.00 0.00 C ATOM 0 H LEU A 79 4.963 3.635 8.073 1.00 0.00 H new ATOM 0 HA LEU A 79 7.543 3.985 6.814 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.805 4.214 6.122 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.452 5.831 5.927 1.00 0.00 H new ATOM 0 HG LEU A 79 7.292 4.957 4.506 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.297 2.580 3.797 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.523 2.729 5.556 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.940 2.249 4.900 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.897 4.249 2.563 1.00 0.00 H new ATOM 0 HD22 LEU A 79 4.529 3.948 3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.141 5.604 3.434 1.00 0.00 H new ATOM 1188 N GLN A 80 8.330 5.902 8.300 1.00 0.00 N ATOM 1189 CA GLN A 80 8.877 7.148 8.917 1.00 0.00 C ATOM 1190 C GLN A 80 10.230 7.474 8.300 1.00 0.00 C ATOM 1191 O GLN A 80 10.734 6.743 7.459 1.00 0.00 O ATOM 1192 CB GLN A 80 9.039 6.941 10.424 1.00 0.00 C ATOM 1193 CG GLN A 80 7.663 6.733 11.070 1.00 0.00 C ATOM 1194 CD GLN A 80 7.195 8.040 11.715 1.00 0.00 C ATOM 1195 OE1 GLN A 80 7.289 9.094 11.118 1.00 0.00 O ATOM 1196 NE2 GLN A 80 6.689 8.014 12.917 1.00 0.00 N ATOM 0 H GLN A 80 8.958 5.099 8.337 1.00 0.00 H new ATOM 0 HA GLN A 80 8.190 7.974 8.734 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.675 6.077 10.615 1.00 0.00 H new ATOM 0 HB3 GLN A 80 9.533 7.805 10.868 1.00 0.00 H new ATOM 0 HG2 GLN A 80 6.943 6.408 10.319 1.00 0.00 H new ATOM 0 HG3 GLN A 80 7.718 5.945 11.821 1.00 0.00 H new ATOM 0 HE21 GLN A 80 6.610 7.129 13.418 1.00 0.00 H new ATOM 0 HE22 GLN A 80 6.372 8.879 13.356 1.00 0.00 H new ATOM 1205 N ASP A 81 10.805 8.577 8.708 1.00 0.00 N ATOM 1206 CA ASP A 81 12.120 9.007 8.163 1.00 0.00 C ATOM 1207 C ASP A 81 13.192 7.959 8.460 1.00 0.00 C ATOM 1208 O ASP A 81 13.754 7.907 9.542 1.00 0.00 O ATOM 1209 CB ASP A 81 12.530 10.342 8.778 1.00 0.00 C ATOM 1210 CG ASP A 81 11.544 11.429 8.343 1.00 0.00 C ATOM 1211 OD1 ASP A 81 10.393 11.348 8.736 1.00 0.00 O ATOM 1212 OD2 ASP A 81 11.958 12.323 7.622 1.00 0.00 O ATOM 0 H ASP A 81 10.409 9.205 9.407 1.00 0.00 H new ATOM 0 HA ASP A 81 12.024 9.119 7.083 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.546 10.264 9.865 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.540 10.605 8.463 1.00 0.00 H new ATOM 1217 N LEU A 82 13.496 7.166 7.470 1.00 0.00 N ATOM 1218 CA LEU A 82 14.568 6.126 7.584 1.00 0.00 C ATOM 1219 C LEU A 82 15.922 6.838 7.382 1.00 0.00 C ATOM 1220 O LEU A 82 15.930 8.003 7.011 1.00 0.00 O ATOM 1221 CB LEU A 82 14.343 5.065 6.492 1.00 0.00 C ATOM 1222 CG LEU A 82 13.284 4.053 6.957 1.00 0.00 C ATOM 1223 CD1 LEU A 82 12.779 3.248 5.756 1.00 0.00 C ATOM 1224 CD2 LEU A 82 13.902 3.093 7.990 1.00 0.00 C ATOM 0 H LEU A 82 13.035 7.194 6.560 1.00 0.00 H new ATOM 0 HA LEU A 82 14.551 5.632 8.555 1.00 0.00 H new ATOM 0 HB2 LEU A 82 14.020 5.544 5.568 1.00 0.00 H new ATOM 0 HB3 LEU A 82 15.279 4.551 6.274 1.00 0.00 H new ATOM 0 HG LEU A 82 12.452 4.590 7.412 1.00 0.00 H new ATOM 0 HD11 LEU A 82 12.028 2.531 6.088 1.00 0.00 H new ATOM 0 HD12 LEU A 82 12.336 3.924 5.025 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.613 2.715 5.299 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.148 2.377 8.318 1.00 0.00 H new ATOM 0 HD22 LEU A 82 14.737 2.559 7.537 1.00 0.00 H new ATOM 0 HD23 LEU A 82 14.259 3.663 8.848 1.00 0.00 H new ATOM 1236 N PRO A 83 17.039 6.158 7.623 1.00 0.00 N ATOM 1237 CA PRO A 83 18.359 6.791 7.446 1.00 0.00 C ATOM 1238 C PRO A 83 18.632 7.017 5.959 1.00 0.00 C ATOM 1239 O PRO A 83 19.042 6.118 5.245 1.00 0.00 O ATOM 1240 CB PRO A 83 19.341 5.803 8.082 1.00 0.00 C ATOM 1241 CG PRO A 83 18.622 4.437 8.112 1.00 0.00 C ATOM 1242 CD PRO A 83 17.111 4.740 8.070 1.00 0.00 C ATOM 0 HA PRO A 83 18.439 7.774 7.910 1.00 0.00 H new ATOM 0 HB2 PRO A 83 20.263 5.745 7.504 1.00 0.00 H new ATOM 0 HB3 PRO A 83 19.615 6.120 9.088 1.00 0.00 H new ATOM 0 HG2 PRO A 83 18.919 3.823 7.262 1.00 0.00 H new ATOM 0 HG3 PRO A 83 18.882 3.881 9.013 1.00 0.00 H new ATOM 0 HD2 PRO A 83 16.590 4.077 7.379 1.00 0.00 H new ATOM 0 HD3 PRO A 83 16.650 4.606 9.049 1.00 0.00 H new ATOM 1250 N GLY A 84 18.398 8.232 5.507 1.00 0.00 N ATOM 1251 CA GLY A 84 18.622 8.592 4.073 1.00 0.00 C ATOM 1252 C GLY A 84 17.293 8.591 3.292 1.00 0.00 C ATOM 1253 O GLY A 84 17.302 8.803 2.090 1.00 0.00 O ATOM 0 H GLY A 84 18.055 8.999 6.086 1.00 0.00 H new ATOM 0 HA2 GLY A 84 19.085 9.577 4.009 1.00 0.00 H new ATOM 0 HA3 GLY A 84 19.315 7.883 3.620 1.00 0.00 H new ATOM 1257 N CYS A 85 16.155 8.360 3.948 1.00 0.00 N ATOM 1258 CA CYS A 85 14.843 8.343 3.214 1.00 0.00 C ATOM 1259 C CYS A 85 13.770 9.069 4.064 1.00 0.00 C ATOM 1260 O CYS A 85 13.128 8.437 4.879 1.00 0.00 O ATOM 1261 CB CYS A 85 14.385 6.890 2.982 1.00 0.00 C ATOM 1262 SG CYS A 85 15.796 5.830 2.591 1.00 0.00 S ATOM 0 H CYS A 85 16.090 8.185 4.951 1.00 0.00 H new ATOM 0 HA CYS A 85 14.970 8.844 2.254 1.00 0.00 H new ATOM 0 HB2 CYS A 85 13.879 6.516 3.872 1.00 0.00 H new ATOM 0 HB3 CYS A 85 13.662 6.857 2.167 1.00 0.00 H new ATOM 1267 N PRO A 86 13.593 10.371 3.878 1.00 0.00 N ATOM 1268 CA PRO A 86 12.595 11.133 4.664 1.00 0.00 C ATOM 1269 C PRO A 86 11.175 10.833 4.192 1.00 0.00 C ATOM 1270 O PRO A 86 10.978 10.353 3.089 1.00 0.00 O ATOM 1271 CB PRO A 86 12.938 12.598 4.383 1.00 0.00 C ATOM 1272 CG PRO A 86 13.747 12.615 3.066 1.00 0.00 C ATOM 1273 CD PRO A 86 14.326 11.198 2.884 1.00 0.00 C ATOM 0 HA PRO A 86 12.629 10.878 5.723 1.00 0.00 H new ATOM 0 HB2 PRO A 86 12.032 13.197 4.290 1.00 0.00 H new ATOM 0 HB3 PRO A 86 13.519 13.024 5.201 1.00 0.00 H new ATOM 0 HG2 PRO A 86 13.110 12.884 2.224 1.00 0.00 H new ATOM 0 HG3 PRO A 86 14.545 13.356 3.111 1.00 0.00 H new ATOM 0 HD2 PRO A 86 14.170 10.832 1.869 1.00 0.00 H new ATOM 0 HD3 PRO A 86 15.400 11.181 3.067 1.00 0.00 H new ATOM 1281 N ARG A 87 10.180 11.145 5.014 1.00 0.00 N ATOM 1282 CA ARG A 87 8.749 10.931 4.626 1.00 0.00 C ATOM 1283 C ARG A 87 8.507 11.491 3.225 1.00 0.00 C ATOM 1284 O ARG A 87 7.640 11.032 2.509 1.00 0.00 O ATOM 1285 CB ARG A 87 7.846 11.714 5.572 1.00 0.00 C ATOM 1286 CG ARG A 87 7.956 11.153 6.979 1.00 0.00 C ATOM 1287 CD ARG A 87 6.794 10.189 7.242 1.00 0.00 C ATOM 1288 NE ARG A 87 5.675 10.921 7.899 1.00 0.00 N ATOM 1289 CZ ARG A 87 4.667 10.257 8.394 1.00 0.00 C ATOM 1290 NH1 ARG A 87 4.880 9.235 9.179 1.00 0.00 N ATOM 1291 NH2 ARG A 87 3.445 10.613 8.105 1.00 0.00 N ATOM 0 H ARG A 87 10.311 11.542 5.944 1.00 0.00 H new ATOM 0 HA ARG A 87 8.536 9.863 4.665 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.128 12.767 5.569 1.00 0.00 H new ATOM 0 HB3 ARG A 87 6.813 11.659 5.230 1.00 0.00 H new ATOM 0 HG2 ARG A 87 8.907 10.634 7.101 1.00 0.00 H new ATOM 0 HG3 ARG A 87 7.940 11.964 7.707 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.453 9.750 6.304 1.00 0.00 H new ATOM 0 HD3 ARG A 87 7.126 9.367 7.877 1.00 0.00 H new ATOM 0 HE ARG A 87 5.697 11.939 7.962 1.00 0.00 H new ATOM 0 HH11 ARG A 87 5.835 8.956 9.405 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.092 8.716 9.566 1.00 0.00 H new ATOM 0 HH21 ARG A 87 3.278 11.411 7.492 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.657 10.093 8.492 1.00 0.00 H new ATOM 1305 N GLN A 88 9.265 12.508 2.865 1.00 0.00 N ATOM 1306 CA GLN A 88 9.101 13.165 1.518 1.00 0.00 C ATOM 1307 C GLN A 88 9.202 12.127 0.388 1.00 0.00 C ATOM 1308 O GLN A 88 8.344 12.063 -0.489 1.00 0.00 O ATOM 1309 CB GLN A 88 10.189 14.227 1.338 1.00 0.00 C ATOM 1310 CG GLN A 88 10.180 15.181 2.538 1.00 0.00 C ATOM 1311 CD GLN A 88 10.451 16.613 2.064 1.00 0.00 C ATOM 1312 OE1 GLN A 88 9.871 17.553 2.572 1.00 0.00 O ATOM 1313 NE2 GLN A 88 11.314 16.821 1.107 1.00 0.00 N ATOM 0 H GLN A 88 9.995 12.914 3.450 1.00 0.00 H new ATOM 0 HA GLN A 88 8.116 13.629 1.472 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.165 13.750 1.247 1.00 0.00 H new ATOM 0 HB3 GLN A 88 10.019 14.784 0.417 1.00 0.00 H new ATOM 0 HG2 GLN A 88 9.217 15.132 3.046 1.00 0.00 H new ATOM 0 HG3 GLN A 88 10.937 14.878 3.261 1.00 0.00 H new ATOM 0 HE21 GLN A 88 11.801 16.033 0.680 1.00 0.00 H new ATOM 0 HE22 GLN A 88 11.501 17.771 0.786 1.00 0.00 H new ATOM 1322 N VAL A 89 10.240 11.316 0.408 1.00 0.00 N ATOM 1323 CA VAL A 89 10.424 10.273 -0.637 1.00 0.00 C ATOM 1324 C VAL A 89 9.284 9.273 -0.521 1.00 0.00 C ATOM 1325 O VAL A 89 8.778 8.771 -1.511 1.00 0.00 O ATOM 1326 CB VAL A 89 11.757 9.585 -0.380 1.00 0.00 C ATOM 1327 CG1 VAL A 89 12.001 8.499 -1.424 1.00 0.00 C ATOM 1328 CG2 VAL A 89 12.860 10.626 -0.458 1.00 0.00 C ATOM 0 H VAL A 89 10.972 11.340 1.118 1.00 0.00 H new ATOM 0 HA VAL A 89 10.421 10.705 -1.638 1.00 0.00 H new ATOM 0 HB VAL A 89 11.746 9.121 0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 89 12.958 8.015 -1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.203 7.759 -1.372 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.017 8.947 -2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 89 13.823 10.150 -0.276 1.00 0.00 H new ATOM 0 HG22 VAL A 89 12.861 11.081 -1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 89 12.688 11.396 0.294 1.00 0.00 H new ATOM 1338 N GLN A 90 8.876 9.009 0.696 1.00 0.00 N ATOM 1339 CA GLN A 90 7.745 8.061 0.940 1.00 0.00 C ATOM 1340 C GLN A 90 6.474 8.636 0.311 1.00 0.00 C ATOM 1341 O GLN A 90 5.573 7.902 -0.050 1.00 0.00 O ATOM 1342 CB GLN A 90 7.508 7.861 2.451 1.00 0.00 C ATOM 1343 CG GLN A 90 8.833 7.751 3.228 1.00 0.00 C ATOM 1344 CD GLN A 90 9.728 6.669 2.614 1.00 0.00 C ATOM 1345 OE1 GLN A 90 9.290 5.561 2.376 1.00 0.00 O ATOM 1346 NE2 GLN A 90 10.973 6.952 2.349 1.00 0.00 N ATOM 0 H GLN A 90 9.283 9.414 1.539 1.00 0.00 H new ATOM 0 HA GLN A 90 7.995 7.097 0.496 1.00 0.00 H new ATOM 0 HB2 GLN A 90 6.926 8.696 2.841 1.00 0.00 H new ATOM 0 HB3 GLN A 90 6.917 6.959 2.610 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.350 8.710 3.214 1.00 0.00 H new ATOM 0 HG3 GLN A 90 8.630 7.514 4.272 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.338 7.883 2.550 1.00 0.00 H new ATOM 0 HE22 GLN A 90 11.582 6.242 1.941 1.00 0.00 H new ATOM 1355 N ARG A 91 6.407 9.948 0.189 1.00 0.00 N ATOM 1356 CA ARG A 91 5.212 10.610 -0.417 1.00 0.00 C ATOM 1357 C ARG A 91 5.286 10.494 -1.943 1.00 0.00 C ATOM 1358 O ARG A 91 4.275 10.313 -2.600 1.00 0.00 O ATOM 1359 CB ARG A 91 5.171 12.087 -0.001 1.00 0.00 C ATOM 1360 CG ARG A 91 3.746 12.464 0.415 1.00 0.00 C ATOM 1361 CD ARG A 91 3.551 12.176 1.906 1.00 0.00 C ATOM 1362 NE ARG A 91 2.180 11.637 2.135 1.00 0.00 N ATOM 1363 CZ ARG A 91 1.259 12.400 2.658 1.00 0.00 C ATOM 1364 NH1 ARG A 91 1.005 13.567 2.136 1.00 0.00 N ATOM 1365 NH2 ARG A 91 0.592 11.994 3.704 1.00 0.00 N ATOM 0 H ARG A 91 7.141 10.589 0.489 1.00 0.00 H new ATOM 0 HA ARG A 91 4.305 10.120 -0.064 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.860 12.262 0.825 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.498 12.717 -0.828 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.565 13.519 0.212 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.023 11.897 -0.172 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.297 11.459 2.249 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.696 13.088 2.485 1.00 0.00 H new ATOM 0 HE ARG A 91 1.962 10.673 1.883 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.526 13.884 1.319 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.285 14.163 2.545 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.791 11.081 4.113 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -0.128 12.590 4.113 1.00 0.00 H new ATOM 1379 N ALA A 92 6.480 10.598 -2.508 1.00 0.00 N ATOM 1380 CA ALA A 92 6.635 10.494 -3.997 1.00 0.00 C ATOM 1381 C ALA A 92 6.261 9.079 -4.457 1.00 0.00 C ATOM 1382 O ALA A 92 5.502 8.909 -5.396 1.00 0.00 O ATOM 1383 CB ALA A 92 8.086 10.792 -4.381 1.00 0.00 C ATOM 0 H ALA A 92 7.349 10.750 -1.996 1.00 0.00 H new ATOM 0 HA ALA A 92 5.976 11.215 -4.481 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.199 10.717 -5.462 1.00 0.00 H new ATOM 0 HB2 ALA A 92 8.348 11.800 -4.058 1.00 0.00 H new ATOM 0 HB3 ALA A 92 8.746 10.072 -3.896 1.00 0.00 H new ATOM 1389 N PHE A 93 6.801 8.074 -3.799 1.00 0.00 N ATOM 1390 CA PHE A 93 6.505 6.648 -4.161 1.00 0.00 C ATOM 1391 C PHE A 93 5.134 6.221 -3.608 1.00 0.00 C ATOM 1392 O PHE A 93 4.533 5.285 -4.108 1.00 0.00 O ATOM 1393 CB PHE A 93 7.596 5.740 -3.571 1.00 0.00 C ATOM 1394 CG PHE A 93 7.241 4.284 -3.796 1.00 0.00 C ATOM 1395 CD1 PHE A 93 6.416 3.617 -2.878 1.00 0.00 C ATOM 1396 CD2 PHE A 93 7.722 3.611 -4.920 1.00 0.00 C ATOM 1397 CE1 PHE A 93 6.078 2.276 -3.089 1.00 0.00 C ATOM 1398 CE2 PHE A 93 7.383 2.270 -5.132 1.00 0.00 C ATOM 1399 CZ PHE A 93 6.563 1.602 -4.217 1.00 0.00 C ATOM 0 H PHE A 93 7.444 8.186 -3.015 1.00 0.00 H new ATOM 0 HA PHE A 93 6.487 6.558 -5.247 1.00 0.00 H new ATOM 0 HB2 PHE A 93 8.556 5.964 -4.035 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.704 5.935 -2.504 1.00 0.00 H new ATOM 0 HD1 PHE A 93 6.042 4.138 -2.009 1.00 0.00 H new ATOM 0 HD2 PHE A 93 8.356 4.125 -5.627 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.444 1.761 -2.383 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.755 1.751 -6.003 1.00 0.00 H new ATOM 0 HZ PHE A 93 6.304 0.566 -4.380 1.00 0.00 H new ATOM 1409 N ALA A 94 4.678 6.864 -2.552 1.00 0.00 N ATOM 1410 CA ALA A 94 3.379 6.493 -1.888 1.00 0.00 C ATOM 1411 C ALA A 94 2.277 6.155 -2.916 1.00 0.00 C ATOM 1412 O ALA A 94 1.684 5.094 -2.819 1.00 0.00 O ATOM 1413 CB ALA A 94 2.916 7.649 -0.998 1.00 0.00 C ATOM 0 H ALA A 94 5.163 7.647 -2.113 1.00 0.00 H new ATOM 0 HA ALA A 94 3.554 5.600 -1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.975 7.383 -0.516 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.671 7.847 -0.237 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.772 8.542 -1.607 1.00 0.00 H new ATOM 1419 N PRO A 95 2.034 7.041 -3.875 1.00 0.00 N ATOM 1420 CA PRO A 95 1.011 6.802 -4.910 1.00 0.00 C ATOM 1421 C PRO A 95 1.523 5.768 -5.918 1.00 0.00 C ATOM 1422 O PRO A 95 2.571 5.173 -5.720 1.00 0.00 O ATOM 1423 CB PRO A 95 0.801 8.178 -5.549 1.00 0.00 C ATOM 1424 CG PRO A 95 2.067 9.004 -5.239 1.00 0.00 C ATOM 1425 CD PRO A 95 2.743 8.337 -4.026 1.00 0.00 C ATOM 0 HA PRO A 95 0.077 6.398 -4.519 1.00 0.00 H new ATOM 0 HB2 PRO A 95 0.651 8.087 -6.625 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -0.087 8.663 -5.143 1.00 0.00 H new ATOM 0 HG2 PRO A 95 2.739 9.019 -6.097 1.00 0.00 H new ATOM 0 HG3 PRO A 95 1.809 10.040 -5.018 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.809 8.189 -4.197 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.646 8.950 -3.130 1.00 0.00 H new ATOM 1433 N LYS A 96 0.781 5.535 -6.980 1.00 0.00 N ATOM 1434 CA LYS A 96 1.194 4.517 -8.007 1.00 0.00 C ATOM 1435 C LYS A 96 1.103 3.109 -7.383 1.00 0.00 C ATOM 1436 O LYS A 96 1.808 2.195 -7.782 1.00 0.00 O ATOM 1437 CB LYS A 96 2.641 4.780 -8.473 1.00 0.00 C ATOM 1438 CG LYS A 96 2.849 6.273 -8.751 1.00 0.00 C ATOM 1439 CD LYS A 96 4.214 6.484 -9.419 1.00 0.00 C ATOM 1440 CE LYS A 96 4.879 7.743 -8.854 1.00 0.00 C ATOM 1441 NZ LYS A 96 3.985 8.916 -9.062 1.00 0.00 N ATOM 0 H LYS A 96 -0.099 6.010 -7.181 1.00 0.00 H new ATOM 0 HA LYS A 96 0.531 4.589 -8.869 1.00 0.00 H new ATOM 0 HB2 LYS A 96 3.343 4.444 -7.709 1.00 0.00 H new ATOM 0 HB3 LYS A 96 2.850 4.203 -9.374 1.00 0.00 H new ATOM 0 HG2 LYS A 96 2.055 6.648 -9.396 1.00 0.00 H new ATOM 0 HG3 LYS A 96 2.797 6.838 -7.820 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.851 5.617 -9.247 1.00 0.00 H new ATOM 0 HD3 LYS A 96 4.090 6.580 -10.498 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.084 7.613 -7.791 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.837 7.912 -9.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.532 9.793 -8.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.581 8.879 -10.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 3.217 8.896 -8.361 1.00 0.00 H new ATOM 1455 N LEU A 97 0.240 2.944 -6.395 1.00 0.00 N ATOM 1456 CA LEU A 97 0.090 1.601 -5.708 1.00 0.00 C ATOM 1457 C LEU A 97 -0.654 0.600 -6.618 1.00 0.00 C ATOM 1458 O LEU A 97 -0.044 -0.342 -7.106 1.00 0.00 O ATOM 1459 CB LEU A 97 -0.636 1.727 -4.347 1.00 0.00 C ATOM 1460 CG LEU A 97 -1.686 2.852 -4.350 1.00 0.00 C ATOM 1461 CD1 LEU A 97 -2.905 2.418 -3.536 1.00 0.00 C ATOM 1462 CD2 LEU A 97 -1.087 4.113 -3.716 1.00 0.00 C ATOM 0 H LEU A 97 -0.368 3.679 -6.033 1.00 0.00 H new ATOM 0 HA LEU A 97 1.095 1.225 -5.516 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.121 0.781 -4.107 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.096 1.918 -3.563 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.985 3.061 -5.377 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.648 3.216 -3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.336 1.519 -3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.602 2.209 -2.510 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.831 4.910 -3.718 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.789 3.898 -2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.215 4.429 -4.289 1.00 0.00 H new ATOM 1474 N VAL A 98 -1.949 0.784 -6.866 1.00 0.00 N ATOM 1475 CA VAL A 98 -2.699 -0.165 -7.758 1.00 0.00 C ATOM 1476 C VAL A 98 -2.598 0.286 -9.226 1.00 0.00 C ATOM 1477 O VAL A 98 -3.461 -0.017 -10.040 1.00 0.00 O ATOM 1478 CB VAL A 98 -4.169 -0.213 -7.352 1.00 0.00 C ATOM 1479 CG1 VAL A 98 -4.277 -0.676 -5.919 1.00 0.00 C ATOM 1480 CG2 VAL A 98 -4.811 1.173 -7.491 1.00 0.00 C ATOM 0 H VAL A 98 -2.507 1.549 -6.487 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.257 -1.156 -7.653 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.693 -0.909 -8.008 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.326 -0.711 -5.626 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.840 -1.670 -5.824 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.743 0.019 -5.271 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.859 1.120 -7.197 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.290 1.882 -6.848 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.741 1.504 -8.527 1.00 0.00 H new ATOM 1490 N THR A 99 -1.555 0.997 -9.566 1.00 0.00 N ATOM 1491 CA THR A 99 -1.377 1.461 -10.976 1.00 0.00 C ATOM 1492 C THR A 99 -0.385 0.533 -11.679 1.00 0.00 C ATOM 1493 O THR A 99 0.193 -0.334 -11.047 1.00 0.00 O ATOM 1494 CB THR A 99 -0.840 2.903 -10.990 1.00 0.00 C ATOM 1495 OG1 THR A 99 0.518 2.923 -10.559 1.00 0.00 O ATOM 1496 CG2 THR A 99 -1.670 3.765 -10.052 1.00 0.00 C ATOM 0 H THR A 99 -0.814 1.278 -8.924 1.00 0.00 H new ATOM 0 HA THR A 99 -2.336 1.439 -11.494 1.00 0.00 H new ATOM 0 HB THR A 99 -0.904 3.293 -12.006 1.00 0.00 H new ATOM 0 HG1 THR A 99 0.946 3.750 -10.864 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.289 4.786 -10.063 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.710 3.763 -10.380 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.608 3.365 -9.040 1.00 0.00 H new ATOM 1504 N GLU A 100 -0.187 0.692 -12.975 1.00 0.00 N ATOM 1505 CA GLU A 100 0.771 -0.195 -13.703 1.00 0.00 C ATOM 1506 C GLU A 100 2.216 -0.073 -13.146 1.00 0.00 C ATOM 1507 O GLU A 100 3.097 -0.760 -13.638 1.00 0.00 O ATOM 1508 CB GLU A 100 0.767 0.187 -15.190 1.00 0.00 C ATOM 1509 CG GLU A 100 0.670 -1.074 -16.055 1.00 0.00 C ATOM 1510 CD GLU A 100 2.048 -1.731 -16.168 1.00 0.00 C ATOM 1511 OE1 GLU A 100 2.397 -2.485 -15.276 1.00 0.00 O ATOM 1512 OE2 GLU A 100 2.728 -1.470 -17.146 1.00 0.00 O ATOM 0 H GLU A 100 -0.648 1.396 -13.551 1.00 0.00 H new ATOM 0 HA GLU A 100 0.450 -1.227 -13.565 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -0.073 0.849 -15.402 1.00 0.00 H new ATOM 0 HB3 GLU A 100 1.676 0.737 -15.435 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.042 -1.773 -15.616 1.00 0.00 H new ATOM 0 HG3 GLU A 100 0.296 -0.818 -17.046 1.00 0.00 H new ATOM 1519 N VAL A 101 2.493 0.781 -12.148 1.00 0.00 N ATOM 1520 CA VAL A 101 3.894 0.897 -11.632 1.00 0.00 C ATOM 1521 C VAL A 101 4.099 0.030 -10.376 1.00 0.00 C ATOM 1522 O VAL A 101 5.181 0.030 -9.812 1.00 0.00 O ATOM 1523 CB VAL A 101 4.191 2.360 -11.292 1.00 0.00 C ATOM 1524 CG1 VAL A 101 5.678 2.516 -10.970 1.00 0.00 C ATOM 1525 CG2 VAL A 101 3.836 3.247 -12.489 1.00 0.00 C ATOM 0 H VAL A 101 1.809 1.383 -11.690 1.00 0.00 H new ATOM 0 HA VAL A 101 4.574 0.545 -12.407 1.00 0.00 H new ATOM 0 HB VAL A 101 3.596 2.659 -10.429 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.891 3.557 -10.728 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.934 1.886 -10.118 1.00 0.00 H new ATOM 0 HG13 VAL A 101 6.271 2.216 -11.834 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.048 4.288 -12.246 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.430 2.948 -13.352 1.00 0.00 H new ATOM 0 HG23 VAL A 101 2.777 3.137 -12.722 1.00 0.00 H new ATOM 1535 N GLU A 102 3.084 -0.702 -9.930 1.00 0.00 N ATOM 1536 CA GLU A 102 3.255 -1.556 -8.704 1.00 0.00 C ATOM 1537 C GLU A 102 2.527 -2.911 -8.857 1.00 0.00 C ATOM 1538 O GLU A 102 3.117 -3.868 -9.335 1.00 0.00 O ATOM 1539 CB GLU A 102 2.731 -0.798 -7.475 1.00 0.00 C ATOM 1540 CG GLU A 102 3.904 -0.180 -6.706 1.00 0.00 C ATOM 1541 CD GLU A 102 3.633 -0.263 -5.202 1.00 0.00 C ATOM 1542 OE1 GLU A 102 3.903 -1.304 -4.627 1.00 0.00 O ATOM 1543 OE2 GLU A 102 3.159 0.717 -4.651 1.00 0.00 O ATOM 0 H GLU A 102 2.160 -0.740 -10.360 1.00 0.00 H new ATOM 0 HA GLU A 102 4.316 -1.768 -8.573 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.037 -0.017 -7.787 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.177 -1.477 -6.827 1.00 0.00 H new ATOM 0 HG2 GLU A 102 4.828 -0.705 -6.949 1.00 0.00 H new ATOM 0 HG3 GLU A 102 4.040 0.859 -7.004 1.00 0.00 H new ATOM 1550 N CYS A 103 1.273 -3.012 -8.434 1.00 0.00 N ATOM 1551 CA CYS A 103 0.527 -4.315 -8.526 1.00 0.00 C ATOM 1552 C CYS A 103 -0.958 -4.040 -8.889 1.00 0.00 C ATOM 1553 O CYS A 103 -1.865 -4.588 -8.282 1.00 0.00 O ATOM 1554 CB CYS A 103 0.617 -5.023 -7.162 1.00 0.00 C ATOM 1555 SG CYS A 103 2.356 -5.222 -6.691 1.00 0.00 S ATOM 0 H CYS A 103 0.739 -2.243 -8.029 1.00 0.00 H new ATOM 0 HA CYS A 103 0.962 -4.947 -9.300 1.00 0.00 H new ATOM 0 HB2 CYS A 103 0.089 -4.443 -6.405 1.00 0.00 H new ATOM 0 HB3 CYS A 103 0.131 -5.997 -7.214 1.00 0.00 H new ATOM 1560 N ASN A 104 -1.206 -3.170 -9.865 1.00 0.00 N ATOM 1561 CA ASN A 104 -2.608 -2.812 -10.279 1.00 0.00 C ATOM 1562 C ASN A 104 -3.556 -4.016 -10.310 1.00 0.00 C ATOM 1563 O ASN A 104 -4.472 -4.095 -9.506 1.00 0.00 O ATOM 1564 CB ASN A 104 -2.559 -2.186 -11.678 1.00 0.00 C ATOM 1565 CG ASN A 104 -3.948 -1.700 -12.134 1.00 0.00 C ATOM 1566 OD1 ASN A 104 -4.927 -1.805 -11.414 1.00 0.00 O ATOM 1567 ND2 ASN A 104 -4.070 -1.157 -13.315 1.00 0.00 N ATOM 0 H ASN A 104 -0.478 -2.690 -10.395 1.00 0.00 H new ATOM 0 HA ASN A 104 -2.998 -2.117 -9.536 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -1.862 -1.348 -11.677 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -2.177 -2.917 -12.391 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -4.980 -0.823 -13.631 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -3.255 -1.067 -13.921 1.00 0.00 H new ATOM 1574 N LEU A 105 -3.363 -4.930 -11.238 1.00 0.00 N ATOM 1575 CA LEU A 105 -4.281 -6.120 -11.336 1.00 0.00 C ATOM 1576 C LEU A 105 -5.768 -5.657 -11.352 1.00 0.00 C ATOM 1577 O LEU A 105 -6.653 -6.393 -10.940 1.00 0.00 O ATOM 1578 CB LEU A 105 -4.041 -7.030 -10.124 1.00 0.00 C ATOM 1579 CG LEU A 105 -2.663 -7.703 -10.238 1.00 0.00 C ATOM 1580 CD1 LEU A 105 -1.938 -7.629 -8.892 1.00 0.00 C ATOM 1581 CD2 LEU A 105 -2.838 -9.172 -10.633 1.00 0.00 C ATOM 0 H LEU A 105 -2.613 -4.905 -11.929 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.075 -6.661 -12.260 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.096 -6.447 -9.205 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.822 -7.788 -10.068 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.077 -7.186 -10.998 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -0.962 -8.107 -8.978 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.807 -6.585 -8.606 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.528 -8.142 -8.132 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.860 -9.646 -10.713 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.429 -9.685 -9.874 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.350 -9.232 -11.593 1.00 0.00 H new ATOM 1593 N ALA A 106 -6.041 -4.445 -11.824 1.00 0.00 N ATOM 1594 CA ALA A 106 -7.445 -3.911 -11.874 1.00 0.00 C ATOM 1595 C ALA A 106 -7.946 -3.668 -10.450 1.00 0.00 C ATOM 1596 O ALA A 106 -7.348 -4.126 -9.490 1.00 0.00 O ATOM 1597 CB ALA A 106 -8.356 -4.908 -12.609 1.00 0.00 C ATOM 0 H ALA A 106 -5.334 -3.801 -12.179 1.00 0.00 H new ATOM 0 HA ALA A 106 -7.461 -2.967 -12.418 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -9.372 -4.516 -12.642 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.990 -5.054 -13.625 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -8.352 -5.862 -12.081 1.00 0.00 H new ATOM 1603 N THR A 107 -9.004 -2.897 -10.319 1.00 0.00 N ATOM 1604 CA THR A 107 -9.535 -2.534 -8.966 1.00 0.00 C ATOM 1605 C THR A 107 -11.081 -2.657 -8.940 1.00 0.00 C ATOM 1606 O THR A 107 -11.668 -3.341 -9.761 1.00 0.00 O ATOM 1607 CB THR A 107 -9.104 -1.083 -8.693 1.00 0.00 C ATOM 1608 OG1 THR A 107 -9.918 -0.231 -9.468 1.00 0.00 O ATOM 1609 CG2 THR A 107 -7.661 -0.831 -9.113 1.00 0.00 C ATOM 0 H THR A 107 -9.526 -2.501 -11.101 1.00 0.00 H new ATOM 0 HA THR A 107 -9.144 -3.205 -8.201 1.00 0.00 H new ATOM 0 HB THR A 107 -9.200 -0.897 -7.623 1.00 0.00 H new ATOM 0 HG1 THR A 107 -9.408 0.097 -10.238 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.397 0.205 -8.903 1.00 0.00 H new ATOM 0 HG22 THR A 107 -6.999 -1.494 -8.556 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.554 -1.024 -10.180 1.00 0.00 H new ATOM 1617 N ILE A 108 -11.727 -1.999 -7.984 1.00 0.00 N ATOM 1618 CA ILE A 108 -13.223 -2.055 -7.854 1.00 0.00 C ATOM 1619 C ILE A 108 -13.903 -0.888 -8.607 1.00 0.00 C ATOM 1620 O ILE A 108 -14.869 -1.097 -9.323 1.00 0.00 O ATOM 1621 CB ILE A 108 -13.601 -2.006 -6.356 1.00 0.00 C ATOM 1622 CG1 ILE A 108 -15.125 -2.186 -6.198 1.00 0.00 C ATOM 1623 CG2 ILE A 108 -13.177 -0.662 -5.727 1.00 0.00 C ATOM 1624 CD1 ILE A 108 -15.417 -3.434 -5.358 1.00 0.00 C ATOM 0 H ILE A 108 -11.266 -1.420 -7.282 1.00 0.00 H new ATOM 0 HA ILE A 108 -13.574 -2.985 -8.301 1.00 0.00 H new ATOM 0 HB ILE A 108 -13.078 -2.813 -5.843 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -15.557 -1.306 -5.721 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -15.593 -2.279 -7.178 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -13.453 -0.651 -4.673 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -12.098 -0.541 -5.821 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -13.680 0.156 -6.243 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -16.495 -3.556 -5.250 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -15.000 -4.311 -5.853 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -14.964 -3.324 -4.373 1.00 0.00 H new ATOM 1636 N HIS A 109 -13.422 0.331 -8.428 1.00 0.00 N ATOM 1637 CA HIS A 109 -14.060 1.536 -9.119 1.00 0.00 C ATOM 1638 C HIS A 109 -14.131 1.292 -10.636 1.00 0.00 C ATOM 1639 O HIS A 109 -14.969 1.873 -11.308 1.00 0.00 O ATOM 1640 CB HIS A 109 -13.331 2.891 -8.827 1.00 0.00 C ATOM 1641 CG HIS A 109 -12.046 2.664 -8.087 1.00 0.00 C ATOM 1642 ND1 HIS A 109 -11.077 1.868 -8.618 1.00 0.00 N ATOM 1643 CD2 HIS A 109 -11.618 2.971 -6.819 1.00 0.00 C ATOM 1644 CE1 HIS A 109 -10.142 1.698 -7.680 1.00 0.00 C ATOM 1645 NE2 HIS A 109 -10.432 2.343 -6.570 1.00 0.00 N ATOM 0 H HIS A 109 -12.620 0.552 -7.838 1.00 0.00 H new ATOM 0 HA HIS A 109 -15.062 1.634 -8.702 1.00 0.00 H new ATOM 0 HB2 HIS A 109 -13.128 3.408 -9.765 1.00 0.00 H new ATOM 0 HB3 HIS A 109 -13.982 3.539 -8.241 1.00 0.00 H new ATOM 0 HD1 HIS A 109 -11.067 1.474 -9.559 1.00 0.00 H new ATOM 0 HD2 HIS A 109 -12.140 3.612 -6.124 1.00 0.00 H new ATOM 0 HE1 HIS A 109 -9.252 1.101 -7.816 1.00 0.00 H new ATOM 1653 N GLY A 110 -13.294 0.414 -11.172 1.00 0.00 N ATOM 1654 CA GLY A 110 -13.350 0.104 -12.638 1.00 0.00 C ATOM 1655 C GLY A 110 -12.212 0.794 -13.409 1.00 0.00 C ATOM 1656 O GLY A 110 -12.473 1.684 -14.205 1.00 0.00 O ATOM 0 H GLY A 110 -12.580 -0.095 -10.652 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -13.287 -0.974 -12.785 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -14.310 0.425 -13.042 1.00 0.00 H new ATOM 1660 N GLY A 111 -10.964 0.383 -13.212 1.00 0.00 N ATOM 1661 CA GLY A 111 -9.836 1.011 -13.975 1.00 0.00 C ATOM 1662 C GLY A 111 -8.569 1.134 -13.106 1.00 0.00 C ATOM 1663 O GLY A 111 -8.614 0.870 -11.919 1.00 0.00 O ATOM 0 H GLY A 111 -10.690 -0.353 -12.561 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -9.616 0.413 -14.859 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -10.137 1.999 -14.325 1.00 0.00 H new ATOM 1667 N PRO A 112 -7.468 1.550 -13.732 1.00 0.00 N ATOM 1668 CA PRO A 112 -6.172 1.736 -13.038 1.00 0.00 C ATOM 1669 C PRO A 112 -6.211 2.995 -12.162 1.00 0.00 C ATOM 1670 O PRO A 112 -5.803 4.068 -12.583 1.00 0.00 O ATOM 1671 CB PRO A 112 -5.159 1.881 -14.188 1.00 0.00 C ATOM 1672 CG PRO A 112 -5.961 2.301 -15.436 1.00 0.00 C ATOM 1673 CD PRO A 112 -7.418 1.880 -15.183 1.00 0.00 C ATOM 0 HA PRO A 112 -5.920 0.915 -12.367 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -4.402 2.627 -13.945 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -4.635 0.941 -14.363 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -5.891 3.377 -15.598 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -5.568 1.818 -16.330 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -8.111 2.684 -15.431 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -7.694 1.021 -15.794 1.00 0.00 H new ATOM 1681 N PHE A 113 -6.706 2.860 -10.944 1.00 0.00 N ATOM 1682 CA PHE A 113 -6.786 4.052 -10.013 1.00 0.00 C ATOM 1683 C PHE A 113 -7.466 3.684 -8.692 1.00 0.00 C ATOM 1684 O PHE A 113 -7.757 2.545 -8.452 1.00 0.00 O ATOM 1685 CB PHE A 113 -7.596 5.189 -10.677 1.00 0.00 C ATOM 1686 CG PHE A 113 -9.002 4.757 -11.126 1.00 0.00 C ATOM 1687 CD1 PHE A 113 -9.494 3.440 -10.960 1.00 0.00 C ATOM 1688 CD2 PHE A 113 -9.810 5.710 -11.764 1.00 0.00 C ATOM 1689 CE1 PHE A 113 -10.771 3.107 -11.435 1.00 0.00 C ATOM 1690 CE2 PHE A 113 -11.086 5.369 -12.224 1.00 0.00 C ATOM 1691 CZ PHE A 113 -11.563 4.069 -12.063 1.00 0.00 C ATOM 0 H PHE A 113 -7.056 1.985 -10.555 1.00 0.00 H new ATOM 0 HA PHE A 113 -5.766 4.377 -9.811 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -7.686 6.018 -9.975 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -7.045 5.561 -11.541 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -8.888 2.693 -10.469 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -9.443 6.716 -11.901 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -11.143 2.100 -11.314 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -11.703 6.114 -12.705 1.00 0.00 H new ATOM 0 HZ PHE A 113 -12.546 3.806 -12.425 1.00 0.00 H new