USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 441 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 69 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 91 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 34 SER OG : rot 170:sc= -0.265 USER MOD Set 2.2: A 36 ASN : amide:sc= 0 X(o=-0.26,f=-0.26) USER MOD Set 3.1: A 18 ASN : amide:sc= -4.08! C(o=-4!,f=-6.7!) USER MOD Set 3.2: A 90 THR OG1 : rot 170:sc= 0.0624 USER MOD Single : A 16 MET CE :methyl 172:sc= -0.186 (180deg=-0.229) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.958 K(o=-0.96,f=-2.8) USER MOD Single : A 70 GLN : amide:sc= -0.093 X(o=-0.093,f=-0.45) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 77 ASN : amide:sc= -0.44 K(o=-0.44,f=-3.1!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.0229 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 MET CE :methyl 155:sc= -5.26 (180deg=-7.93!) USER MOD Single : A 94 HIS : no HD1:sc= -0.0969 X(o=-0.097,f=0) USER MOD ----------------------------------------------------------------- ATOM 122 N VAL A 12 -13.528 -9.665 -0.374 1.00 0.00 N ATOM 123 CA VAL A 12 -12.148 -10.009 -0.672 1.00 0.00 C ATOM 124 C VAL A 12 -11.897 -11.469 -0.289 1.00 0.00 C ATOM 125 O VAL A 12 -12.320 -11.917 0.776 1.00 0.00 O ATOM 126 CB VAL A 12 -11.202 -9.035 0.033 1.00 0.00 C ATOM 127 CG1 VAL A 12 -9.741 -9.421 -0.205 1.00 0.00 C ATOM 128 CG2 VAL A 12 -11.468 -7.595 -0.412 1.00 0.00 C ATOM 0 HA VAL A 12 -11.953 -9.915 -1.740 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.394 -9.096 1.104 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.090 -8.713 0.307 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.562 -10.424 0.182 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.529 -9.402 -1.274 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.783 -6.922 0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.316 -7.513 -1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.495 -7.323 -0.169 1.00 0.00 H new ATOM 138 N PRO A 13 -11.191 -12.189 -1.202 1.00 0.00 N ATOM 139 CA PRO A 13 -10.878 -13.589 -0.970 1.00 0.00 C ATOM 140 C PRO A 13 -9.760 -13.737 0.063 1.00 0.00 C ATOM 141 O PRO A 13 -9.362 -12.761 0.697 1.00 0.00 O ATOM 142 CB PRO A 13 -10.502 -14.139 -2.336 1.00 0.00 C ATOM 143 CG PRO A 13 -10.168 -12.930 -3.195 1.00 0.00 C ATOM 144 CD PRO A 13 -10.675 -11.692 -2.473 1.00 0.00 C ATOM 0 HA PRO A 13 -11.717 -14.144 -0.549 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.649 -14.814 -2.264 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -11.325 -14.709 -2.767 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -9.092 -12.863 -3.358 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.635 -13.018 -4.176 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.875 -10.968 -2.319 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -11.454 -11.190 -3.047 1.00 0.00 H new ATOM 152 N ALA A 14 -9.283 -14.966 0.201 1.00 0.00 N ATOM 153 CA ALA A 14 -8.218 -15.255 1.146 1.00 0.00 C ATOM 154 C ALA A 14 -6.930 -15.559 0.379 1.00 0.00 C ATOM 155 O ALA A 14 -5.926 -15.947 0.974 1.00 0.00 O ATOM 156 CB ALA A 14 -8.642 -16.409 2.056 1.00 0.00 C ATOM 0 H ALA A 14 -9.615 -15.773 -0.327 1.00 0.00 H new ATOM 0 HA ALA A 14 -8.026 -14.392 1.783 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -7.843 -16.626 2.765 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.544 -16.130 2.600 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.841 -17.294 1.452 1.00 0.00 H new ATOM 162 N ASP A 15 -7.001 -15.373 -0.931 1.00 0.00 N ATOM 163 CA ASP A 15 -5.853 -15.624 -1.786 1.00 0.00 C ATOM 164 C ASP A 15 -5.299 -14.290 -2.292 1.00 0.00 C ATOM 165 O ASP A 15 -4.137 -14.206 -2.687 1.00 0.00 O ATOM 166 CB ASP A 15 -6.245 -16.465 -3.002 1.00 0.00 C ATOM 167 CG ASP A 15 -5.129 -17.347 -3.565 1.00 0.00 C ATOM 168 OD1 ASP A 15 -3.958 -16.926 -3.445 1.00 0.00 O ATOM 169 OD2 ASP A 15 -5.472 -18.422 -4.103 1.00 0.00 O ATOM 0 H ASP A 15 -7.836 -15.051 -1.421 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.108 -16.163 -1.201 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.087 -17.101 -2.729 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.592 -15.797 -3.790 1.00 0.00 H new ATOM 174 N MET A 16 -6.157 -13.281 -2.264 1.00 0.00 N ATOM 175 CA MET A 16 -5.768 -11.955 -2.715 1.00 0.00 C ATOM 176 C MET A 16 -5.608 -10.998 -1.532 1.00 0.00 C ATOM 177 O MET A 16 -5.936 -11.347 -0.398 1.00 0.00 O ATOM 178 CB MET A 16 -6.828 -11.410 -3.673 1.00 0.00 C ATOM 179 CG MET A 16 -6.952 -12.296 -4.915 1.00 0.00 C ATOM 180 SD MET A 16 -7.514 -11.325 -6.304 1.00 0.00 S ATOM 181 CE MET A 16 -5.977 -10.557 -6.786 1.00 0.00 C ATOM 0 H MET A 16 -7.120 -13.355 -1.936 1.00 0.00 H new ATOM 0 HA MET A 16 -4.809 -12.033 -3.227 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.790 -11.355 -3.164 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.567 -10.395 -3.971 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.989 -12.751 -5.145 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.651 -13.110 -4.723 1.00 0.00 H new ATOM 0 HE1 MET A 16 -6.115 -10.025 -7.727 1.00 0.00 H new ATOM 0 HE2 MET A 16 -5.664 -9.854 -6.014 1.00 0.00 H new ATOM 0 HE3 MET A 16 -5.211 -11.323 -6.911 1.00 0.00 H new ATOM 191 N ILE A 17 -5.106 -9.811 -1.836 1.00 0.00 N ATOM 192 CA ILE A 17 -4.899 -8.801 -0.812 1.00 0.00 C ATOM 193 C ILE A 17 -5.562 -7.494 -1.249 1.00 0.00 C ATOM 194 O ILE A 17 -5.224 -6.943 -2.296 1.00 0.00 O ATOM 195 CB ILE A 17 -3.409 -8.659 -0.492 1.00 0.00 C ATOM 196 CG1 ILE A 17 -2.830 -9.978 0.022 1.00 0.00 C ATOM 197 CG2 ILE A 17 -3.166 -7.506 0.484 1.00 0.00 C ATOM 198 CD1 ILE A 17 -1.421 -10.209 -0.526 1.00 0.00 C ATOM 0 H ILE A 17 -4.836 -9.525 -2.777 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.374 -9.103 0.122 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.883 -8.416 -1.415 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.803 -9.967 1.112 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.478 -10.803 -0.273 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.100 -7.427 0.695 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -3.519 -6.574 0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.706 -7.695 1.412 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.033 -11.154 -0.145 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.455 -10.244 -1.615 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.769 -9.395 -0.209 1.00 0.00 H new ATOM 210 N ASN A 18 -6.493 -7.035 -0.426 1.00 0.00 N ATOM 211 CA ASN A 18 -7.206 -5.802 -0.716 1.00 0.00 C ATOM 212 C ASN A 18 -6.349 -4.610 -0.287 1.00 0.00 C ATOM 213 O ASN A 18 -5.874 -4.558 0.847 1.00 0.00 O ATOM 214 CB ASN A 18 -8.527 -5.736 0.054 1.00 0.00 C ATOM 215 CG ASN A 18 -9.651 -5.194 -0.831 1.00 0.00 C ATOM 216 OD1 ASN A 18 -9.681 -5.396 -2.034 1.00 0.00 O ATOM 217 ND2 ASN A 18 -10.570 -4.496 -0.171 1.00 0.00 N ATOM 0 H ASN A 18 -6.770 -7.494 0.441 1.00 0.00 H new ATOM 0 HA ASN A 18 -7.410 -5.774 -1.786 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -8.791 -6.730 0.416 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -8.410 -5.099 0.930 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -11.361 -4.092 -0.673 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -10.484 -4.365 0.837 1.00 0.00 H new ATOM 224 N LEU A 19 -6.178 -3.680 -1.215 1.00 0.00 N ATOM 225 CA LEU A 19 -5.386 -2.492 -0.947 1.00 0.00 C ATOM 226 C LEU A 19 -6.276 -1.253 -1.072 1.00 0.00 C ATOM 227 O LEU A 19 -7.200 -1.227 -1.884 1.00 0.00 O ATOM 228 CB LEU A 19 -4.151 -2.455 -1.850 1.00 0.00 C ATOM 229 CG LEU A 19 -2.955 -3.288 -1.384 1.00 0.00 C ATOM 230 CD1 LEU A 19 -2.159 -2.548 -0.307 1.00 0.00 C ATOM 231 CD2 LEU A 19 -3.401 -4.675 -0.917 1.00 0.00 C ATOM 0 H LEU A 19 -6.575 -3.725 -2.154 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.005 -2.511 0.074 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.441 -2.796 -2.844 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.830 -1.418 -1.950 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.288 -3.434 -2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.314 -3.161 0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.792 -1.604 -0.710 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.803 -2.351 0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.532 -5.246 -0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.100 -4.572 -0.087 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.890 -5.196 -1.740 1.00 0.00 H new ATOM 243 N ARG A 20 -5.966 -0.257 -0.256 1.00 0.00 N ATOM 244 CA ARG A 20 -6.726 0.982 -0.265 1.00 0.00 C ATOM 245 C ARG A 20 -5.889 2.114 -0.863 1.00 0.00 C ATOM 246 O ARG A 20 -4.942 2.588 -0.238 1.00 0.00 O ATOM 247 CB ARG A 20 -7.161 1.371 1.149 1.00 0.00 C ATOM 248 CG ARG A 20 -8.687 1.417 1.261 1.00 0.00 C ATOM 249 CD ARG A 20 -9.124 1.663 2.706 1.00 0.00 C ATOM 250 NE ARG A 20 -10.488 1.130 2.920 1.00 0.00 N ATOM 251 CZ ARG A 20 -11.305 1.530 3.904 1.00 0.00 C ATOM 252 NH1 ARG A 20 -10.901 2.470 4.770 1.00 0.00 N ATOM 253 NH2 ARG A 20 -12.526 0.991 4.021 1.00 0.00 N ATOM 0 H ARG A 20 -5.199 -0.282 0.416 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.615 0.821 -0.875 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.762 0.654 1.866 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.744 2.345 1.406 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.079 2.207 0.620 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.110 0.478 0.904 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.426 1.184 3.392 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.104 2.731 2.924 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.827 0.413 2.278 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.972 2.881 4.680 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.523 2.774 5.519 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.833 0.276 3.361 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.148 1.295 4.770 1.00 0.00 H new ATOM 267 N LEU A 21 -6.269 2.514 -2.068 1.00 0.00 N ATOM 268 CA LEU A 21 -5.565 3.582 -2.758 1.00 0.00 C ATOM 269 C LEU A 21 -6.224 4.921 -2.423 1.00 0.00 C ATOM 270 O LEU A 21 -7.398 5.132 -2.726 1.00 0.00 O ATOM 271 CB LEU A 21 -5.489 3.292 -4.258 1.00 0.00 C ATOM 272 CG LEU A 21 -4.570 2.141 -4.673 1.00 0.00 C ATOM 273 CD1 LEU A 21 -3.104 2.579 -4.663 1.00 0.00 C ATOM 274 CD2 LEU A 21 -4.806 0.908 -3.798 1.00 0.00 C ATOM 0 H LEU A 21 -7.055 2.118 -2.584 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.532 3.640 -2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -6.495 3.075 -4.617 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.157 4.197 -4.767 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.815 1.860 -5.697 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.472 1.742 -4.962 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.966 3.405 -5.361 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.828 2.902 -3.659 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.140 0.105 -4.114 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.605 1.157 -2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -5.841 0.582 -3.900 1.00 0.00 H new ATOM 286 N ILE A 22 -5.441 5.792 -1.803 1.00 0.00 N ATOM 287 CA ILE A 22 -5.934 7.105 -1.424 1.00 0.00 C ATOM 288 C ILE A 22 -5.189 8.175 -2.224 1.00 0.00 C ATOM 289 O ILE A 22 -4.025 7.993 -2.578 1.00 0.00 O ATOM 290 CB ILE A 22 -5.842 7.295 0.091 1.00 0.00 C ATOM 291 CG1 ILE A 22 -6.555 6.160 0.830 1.00 0.00 C ATOM 292 CG2 ILE A 22 -6.372 8.670 0.504 1.00 0.00 C ATOM 293 CD1 ILE A 22 -5.648 5.546 1.898 1.00 0.00 C ATOM 0 H ILE A 22 -4.468 5.614 -1.554 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.991 7.201 -1.670 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.791 7.256 0.377 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.465 6.539 1.295 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.857 5.391 0.119 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.295 8.780 1.586 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.783 9.448 0.018 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.415 8.763 0.203 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.179 4.742 2.408 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.750 5.146 1.427 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.368 6.312 2.621 1.00 0.00 H new ATOM 416 N GLU A 30 -10.679 0.519 -3.554 1.00 0.00 N ATOM 417 CA GLU A 30 -10.234 -0.793 -3.115 1.00 0.00 C ATOM 418 C GLU A 30 -9.806 -1.638 -4.316 1.00 0.00 C ATOM 419 O GLU A 30 -10.583 -1.836 -5.249 1.00 0.00 O ATOM 420 CB GLU A 30 -11.324 -1.500 -2.307 1.00 0.00 C ATOM 421 CG GLU A 30 -11.703 -0.688 -1.067 1.00 0.00 C ATOM 422 CD GLU A 30 -12.697 -1.454 -0.193 1.00 0.00 C ATOM 423 OE1 GLU A 30 -13.715 -1.910 -0.756 1.00 0.00 O ATOM 424 OE2 GLU A 30 -12.417 -1.566 1.020 1.00 0.00 O ATOM 0 HA GLU A 30 -9.371 -0.662 -2.462 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.205 -1.649 -2.931 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -10.975 -2.488 -2.006 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.807 -0.459 -0.490 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.139 0.264 -1.370 1.00 0.00 H new ATOM 431 N PHE A 31 -8.571 -2.113 -4.255 1.00 0.00 N ATOM 432 CA PHE A 31 -8.030 -2.932 -5.326 1.00 0.00 C ATOM 433 C PHE A 31 -7.704 -4.342 -4.828 1.00 0.00 C ATOM 434 O PHE A 31 -7.909 -4.652 -3.655 1.00 0.00 O ATOM 435 CB PHE A 31 -6.739 -2.259 -5.796 1.00 0.00 C ATOM 436 CG PHE A 31 -6.962 -1.059 -6.717 1.00 0.00 C ATOM 437 CD1 PHE A 31 -7.176 0.175 -6.187 1.00 0.00 C ATOM 438 CD2 PHE A 31 -6.948 -1.225 -8.067 1.00 0.00 C ATOM 439 CE1 PHE A 31 -7.383 1.290 -7.042 1.00 0.00 C ATOM 440 CE2 PHE A 31 -7.155 -0.111 -8.922 1.00 0.00 C ATOM 441 CZ PHE A 31 -7.369 1.123 -8.392 1.00 0.00 C ATOM 0 H PHE A 31 -7.929 -1.946 -3.480 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.760 -3.020 -6.131 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.173 -1.934 -4.923 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.127 -2.995 -6.317 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.189 0.307 -5.115 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.779 -2.205 -8.489 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -7.551 2.270 -6.621 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -7.143 -0.243 -9.994 1.00 0.00 H new ATOM 0 HZ PHE A 31 -7.528 1.970 -9.043 1.00 0.00 H new ATOM 451 N LEU A 32 -7.203 -5.158 -5.744 1.00 0.00 N ATOM 452 CA LEU A 32 -6.847 -6.527 -5.412 1.00 0.00 C ATOM 453 C LEU A 32 -5.485 -6.858 -6.026 1.00 0.00 C ATOM 454 O LEU A 32 -5.247 -6.585 -7.201 1.00 0.00 O ATOM 455 CB LEU A 32 -7.961 -7.487 -5.833 1.00 0.00 C ATOM 456 CG LEU A 32 -9.184 -7.540 -4.915 1.00 0.00 C ATOM 457 CD1 LEU A 32 -10.475 -7.656 -5.728 1.00 0.00 C ATOM 458 CD2 LEU A 32 -9.050 -8.666 -3.888 1.00 0.00 C ATOM 0 H LEU A 32 -7.035 -4.897 -6.716 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.748 -6.644 -4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.294 -7.209 -6.833 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.541 -8.490 -5.904 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.236 -6.603 -4.360 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.329 -7.692 -5.052 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.569 -6.792 -6.386 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.448 -8.567 -6.326 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.932 -8.682 -3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.960 -9.621 -4.405 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.162 -8.498 -3.278 1.00 0.00 H new ATOM 470 N PHE A 33 -4.627 -7.441 -5.202 1.00 0.00 N ATOM 471 CA PHE A 33 -3.295 -7.812 -5.649 1.00 0.00 C ATOM 472 C PHE A 33 -2.908 -9.197 -5.126 1.00 0.00 C ATOM 473 O PHE A 33 -3.608 -9.768 -4.291 1.00 0.00 O ATOM 474 CB PHE A 33 -2.326 -6.775 -5.077 1.00 0.00 C ATOM 475 CG PHE A 33 -2.568 -5.352 -5.585 1.00 0.00 C ATOM 476 CD1 PHE A 33 -2.417 -5.067 -6.906 1.00 0.00 C ATOM 477 CD2 PHE A 33 -2.933 -4.373 -4.715 1.00 0.00 C ATOM 478 CE1 PHE A 33 -2.641 -3.746 -7.377 1.00 0.00 C ATOM 479 CE2 PHE A 33 -3.158 -3.052 -5.186 1.00 0.00 C ATOM 480 CZ PHE A 33 -3.006 -2.767 -6.507 1.00 0.00 C ATOM 0 H PHE A 33 -4.828 -7.666 -4.228 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.263 -7.842 -6.738 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.404 -6.780 -3.990 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.306 -7.070 -5.325 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.127 -5.845 -7.597 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.052 -4.600 -3.666 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.521 -3.519 -8.426 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.450 -2.274 -4.496 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.175 -1.762 -6.865 1.00 0.00 H new ATOM 490 N SER A 34 -1.793 -9.698 -5.639 1.00 0.00 N ATOM 491 CA SER A 34 -1.304 -11.005 -5.235 1.00 0.00 C ATOM 492 C SER A 34 -0.018 -10.853 -4.420 1.00 0.00 C ATOM 493 O SER A 34 0.646 -9.820 -4.488 1.00 0.00 O ATOM 494 CB SER A 34 -1.060 -11.902 -6.450 1.00 0.00 C ATOM 495 OG SER A 34 0.146 -12.650 -6.327 1.00 0.00 O ATOM 0 H SER A 34 -1.215 -9.222 -6.331 1.00 0.00 H new ATOM 0 HA SER A 34 -2.066 -11.479 -4.616 1.00 0.00 H new ATOM 0 HB2 SER A 34 -1.900 -12.586 -6.570 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.016 -11.289 -7.350 1.00 0.00 H new ATOM 0 HG SER A 34 0.187 -13.324 -7.037 1.00 0.00 H new ATOM 501 N PRO A 35 0.302 -11.926 -3.647 1.00 0.00 N ATOM 502 CA PRO A 35 1.497 -11.922 -2.820 1.00 0.00 C ATOM 503 C PRO A 35 2.754 -12.115 -3.671 1.00 0.00 C ATOM 504 O PRO A 35 3.871 -12.020 -3.165 1.00 0.00 O ATOM 505 CB PRO A 35 1.283 -13.041 -1.815 1.00 0.00 C ATOM 506 CG PRO A 35 0.197 -13.928 -2.402 1.00 0.00 C ATOM 507 CD PRO A 35 -0.461 -13.166 -3.541 1.00 0.00 C ATOM 0 HA PRO A 35 1.653 -10.971 -2.311 1.00 0.00 H new ATOM 0 HB2 PRO A 35 2.203 -13.604 -1.656 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.981 -12.643 -0.846 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.623 -14.864 -2.764 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -0.539 -14.186 -1.640 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.425 -13.734 -4.471 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.512 -12.968 -3.330 1.00 0.00 H new ATOM 515 N ASN A 36 2.529 -12.383 -4.949 1.00 0.00 N ATOM 516 CA ASN A 36 3.629 -12.590 -5.875 1.00 0.00 C ATOM 517 C ASN A 36 3.863 -11.309 -6.678 1.00 0.00 C ATOM 518 O ASN A 36 4.842 -11.203 -7.414 1.00 0.00 O ATOM 519 CB ASN A 36 3.314 -13.716 -6.862 1.00 0.00 C ATOM 520 CG ASN A 36 3.343 -15.078 -6.167 1.00 0.00 C ATOM 521 OD1 ASN A 36 4.358 -15.752 -6.108 1.00 0.00 O ATOM 522 ND2 ASN A 36 2.175 -15.445 -5.646 1.00 0.00 N ATOM 0 H ASN A 36 1.601 -12.462 -5.365 1.00 0.00 H new ATOM 0 HA ASN A 36 4.512 -12.856 -5.294 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.332 -13.551 -7.306 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.038 -13.704 -7.676 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.091 -16.339 -5.162 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.364 -14.833 -5.731 1.00 0.00 H new ATOM 529 N ASP A 37 2.946 -10.367 -6.510 1.00 0.00 N ATOM 530 CA ASP A 37 3.040 -9.097 -7.209 1.00 0.00 C ATOM 531 C ASP A 37 3.968 -8.160 -6.435 1.00 0.00 C ATOM 532 O ASP A 37 4.017 -8.205 -5.206 1.00 0.00 O ATOM 533 CB ASP A 37 1.670 -8.424 -7.315 1.00 0.00 C ATOM 534 CG ASP A 37 0.733 -9.026 -8.364 1.00 0.00 C ATOM 535 OD1 ASP A 37 0.780 -10.265 -8.524 1.00 0.00 O ATOM 536 OD2 ASP A 37 -0.009 -8.233 -8.984 1.00 0.00 O ATOM 0 H ASP A 37 2.134 -10.458 -5.899 1.00 0.00 H new ATOM 0 HA ASP A 37 3.425 -9.291 -8.210 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.181 -8.474 -6.342 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.817 -7.369 -7.544 1.00 0.00 H new ATOM 541 N SER A 38 4.683 -7.334 -7.185 1.00 0.00 N ATOM 542 CA SER A 38 5.607 -6.388 -6.584 1.00 0.00 C ATOM 543 C SER A 38 4.962 -5.003 -6.507 1.00 0.00 C ATOM 544 O SER A 38 3.895 -4.778 -7.077 1.00 0.00 O ATOM 545 CB SER A 38 6.917 -6.321 -7.372 1.00 0.00 C ATOM 546 OG SER A 38 6.767 -5.607 -8.597 1.00 0.00 O ATOM 0 H SER A 38 4.641 -7.301 -8.204 1.00 0.00 H new ATOM 0 HA SER A 38 5.839 -6.730 -5.575 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.682 -5.840 -6.763 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.266 -7.332 -7.582 1.00 0.00 H new ATOM 0 HG SER A 38 7.625 -5.585 -9.070 1.00 0.00 H new ATOM 552 N ALA A 39 5.637 -4.109 -5.798 1.00 0.00 N ATOM 553 CA ALA A 39 5.143 -2.752 -5.640 1.00 0.00 C ATOM 554 C ALA A 39 4.887 -2.143 -7.020 1.00 0.00 C ATOM 555 O ALA A 39 3.834 -1.551 -7.256 1.00 0.00 O ATOM 556 CB ALA A 39 6.144 -1.937 -4.819 1.00 0.00 C ATOM 0 H ALA A 39 6.522 -4.298 -5.327 1.00 0.00 H new ATOM 0 HA ALA A 39 4.197 -2.748 -5.098 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.774 -0.919 -4.700 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.268 -2.395 -3.838 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.105 -1.916 -5.333 1.00 0.00 H new ATOM 562 N SER A 40 5.868 -2.308 -7.895 1.00 0.00 N ATOM 563 CA SER A 40 5.762 -1.781 -9.245 1.00 0.00 C ATOM 564 C SER A 40 4.425 -2.192 -9.864 1.00 0.00 C ATOM 565 O SER A 40 3.627 -1.339 -10.250 1.00 0.00 O ATOM 566 CB SER A 40 6.922 -2.266 -10.118 1.00 0.00 C ATOM 567 OG SER A 40 6.908 -1.661 -11.408 1.00 0.00 O ATOM 0 H SER A 40 6.740 -2.799 -7.696 1.00 0.00 H new ATOM 0 HA SER A 40 5.812 -0.693 -9.192 1.00 0.00 H new ATOM 0 HB2 SER A 40 7.867 -2.042 -9.623 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.867 -3.349 -10.225 1.00 0.00 H new ATOM 0 HG SER A 40 7.664 -1.995 -11.934 1.00 0.00 H new ATOM 573 N ASP A 41 4.220 -3.499 -9.939 1.00 0.00 N ATOM 574 CA ASP A 41 2.993 -4.033 -10.504 1.00 0.00 C ATOM 575 C ASP A 41 1.797 -3.271 -9.930 1.00 0.00 C ATOM 576 O ASP A 41 0.914 -2.844 -10.672 1.00 0.00 O ATOM 577 CB ASP A 41 2.823 -5.513 -10.153 1.00 0.00 C ATOM 578 CG ASP A 41 2.315 -6.395 -11.295 1.00 0.00 C ATOM 579 OD1 ASP A 41 2.219 -5.863 -12.422 1.00 0.00 O ATOM 580 OD2 ASP A 41 2.035 -7.580 -11.015 1.00 0.00 O ATOM 0 H ASP A 41 4.884 -4.204 -9.618 1.00 0.00 H new ATOM 0 HA ASP A 41 3.045 -3.923 -11.587 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.782 -5.903 -9.813 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.130 -5.595 -9.315 1.00 0.00 H new ATOM 585 N ILE A 42 1.808 -3.123 -8.613 1.00 0.00 N ATOM 586 CA ILE A 42 0.735 -2.419 -7.931 1.00 0.00 C ATOM 587 C ILE A 42 0.617 -1.004 -8.499 1.00 0.00 C ATOM 588 O ILE A 42 -0.306 -0.710 -9.257 1.00 0.00 O ATOM 589 CB ILE A 42 0.948 -2.458 -6.416 1.00 0.00 C ATOM 590 CG1 ILE A 42 0.805 -3.883 -5.878 1.00 0.00 C ATOM 591 CG2 ILE A 42 0.010 -1.480 -5.705 1.00 0.00 C ATOM 592 CD1 ILE A 42 1.209 -3.956 -4.404 1.00 0.00 C ATOM 0 H ILE A 42 2.542 -3.478 -8.001 1.00 0.00 H new ATOM 0 HA ILE A 42 -0.219 -2.914 -8.109 1.00 0.00 H new ATOM 0 HB ILE A 42 1.968 -2.136 -6.207 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.226 -4.217 -5.993 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.427 -4.561 -6.463 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.182 -1.528 -4.630 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.204 -0.467 -6.059 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.025 -1.747 -5.919 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.098 -4.980 -4.047 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.248 -3.644 -4.296 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.569 -3.296 -3.818 1.00 0.00 H new ATOM 604 N ALA A 43 1.565 -0.163 -8.111 1.00 0.00 N ATOM 605 CA ALA A 43 1.579 1.214 -8.573 1.00 0.00 C ATOM 606 C ALA A 43 1.216 1.254 -10.058 1.00 0.00 C ATOM 607 O ALA A 43 0.387 2.060 -10.477 1.00 0.00 O ATOM 608 CB ALA A 43 2.950 1.834 -8.291 1.00 0.00 C ATOM 0 H ALA A 43 2.329 -0.409 -7.482 1.00 0.00 H new ATOM 0 HA ALA A 43 0.837 1.805 -8.037 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.960 2.867 -8.638 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.147 1.809 -7.219 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.720 1.268 -8.815 1.00 0.00 H new ATOM 614 N LYS A 44 1.854 0.372 -10.814 1.00 0.00 N ATOM 615 CA LYS A 44 1.609 0.296 -12.244 1.00 0.00 C ATOM 616 C LYS A 44 0.119 0.049 -12.489 1.00 0.00 C ATOM 617 O LYS A 44 -0.538 0.827 -13.179 1.00 0.00 O ATOM 618 CB LYS A 44 2.520 -0.750 -12.890 1.00 0.00 C ATOM 619 CG LYS A 44 2.741 -0.445 -14.372 1.00 0.00 C ATOM 620 CD LYS A 44 1.936 -1.400 -15.255 1.00 0.00 C ATOM 621 CE LYS A 44 2.797 -2.575 -15.720 1.00 0.00 C ATOM 622 NZ LYS A 44 3.657 -2.170 -16.855 1.00 0.00 N ATOM 0 H LYS A 44 2.540 -0.296 -10.463 1.00 0.00 H new ATOM 0 HA LYS A 44 1.859 1.242 -12.724 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.479 -0.771 -12.373 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.077 -1.740 -12.781 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.449 0.584 -14.583 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.801 -0.530 -14.610 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.074 -1.773 -14.702 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.550 -0.862 -16.121 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.416 -2.929 -14.895 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.158 -3.406 -16.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 4.235 -2.979 -17.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.061 -1.854 -17.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.280 -1.392 -16.558 1.00 0.00 H new ATOM 636 N HIS A 45 -0.371 -1.038 -11.911 1.00 0.00 N ATOM 637 CA HIS A 45 -1.771 -1.397 -12.057 1.00 0.00 C ATOM 638 C HIS A 45 -2.636 -0.139 -11.966 1.00 0.00 C ATOM 639 O HIS A 45 -3.526 0.068 -12.790 1.00 0.00 O ATOM 640 CB HIS A 45 -2.168 -2.465 -11.035 1.00 0.00 C ATOM 641 CG HIS A 45 -3.655 -2.716 -10.956 1.00 0.00 C ATOM 642 ND1 HIS A 45 -4.252 -3.852 -11.474 1.00 0.00 N ATOM 643 CD2 HIS A 45 -4.657 -1.968 -10.412 1.00 0.00 C ATOM 644 CE1 HIS A 45 -5.556 -3.779 -11.248 1.00 0.00 C ATOM 645 NE2 HIS A 45 -5.805 -2.611 -10.590 1.00 0.00 N ATOM 0 H HIS A 45 0.177 -1.682 -11.341 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.936 -1.839 -13.040 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.665 -3.399 -11.286 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -1.808 -2.164 -10.051 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.537 -1.014 -9.920 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.292 -4.515 -11.535 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.722 -2.285 -10.285 1.00 0.00 H new ATOM 997 N LEU A 67 5.332 3.457 -3.219 1.00 0.00 N ATOM 998 CA LEU A 67 4.079 3.266 -2.508 1.00 0.00 C ATOM 999 C LEU A 67 4.312 3.466 -1.010 1.00 0.00 C ATOM 1000 O LEU A 67 5.258 2.918 -0.446 1.00 0.00 O ATOM 1001 CB LEU A 67 3.465 1.909 -2.860 1.00 0.00 C ATOM 1002 CG LEU A 67 3.351 0.906 -1.710 1.00 0.00 C ATOM 1003 CD1 LEU A 67 2.173 1.251 -0.796 1.00 0.00 C ATOM 1004 CD2 LEU A 67 3.267 -0.527 -2.238 1.00 0.00 C ATOM 0 HA LEU A 67 3.347 4.011 -2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.469 2.078 -3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.062 1.457 -3.652 1.00 0.00 H new ATOM 0 HG LEU A 67 4.257 0.974 -1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.115 0.523 0.013 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.317 2.247 -0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.247 1.229 -1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.187 -1.219 -1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.390 -0.628 -2.878 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.164 -0.756 -2.813 1.00 0.00 H new ATOM 1016 N ILE A 68 3.433 4.252 -0.406 1.00 0.00 N ATOM 1017 CA ILE A 68 3.531 4.531 1.016 1.00 0.00 C ATOM 1018 C ILE A 68 2.623 3.568 1.784 1.00 0.00 C ATOM 1019 O ILE A 68 1.510 3.279 1.349 1.00 0.00 O ATOM 1020 CB ILE A 68 3.237 6.007 1.294 1.00 0.00 C ATOM 1021 CG1 ILE A 68 4.360 6.899 0.761 1.00 0.00 C ATOM 1022 CG2 ILE A 68 2.976 6.243 2.783 1.00 0.00 C ATOM 1023 CD1 ILE A 68 4.005 7.464 -0.616 1.00 0.00 C ATOM 0 H ILE A 68 2.649 4.705 -0.876 1.00 0.00 H new ATOM 0 HA ILE A 68 4.548 4.360 1.368 1.00 0.00 H new ATOM 0 HB ILE A 68 2.327 6.281 0.760 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.541 7.717 1.458 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.285 6.326 0.695 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.770 7.300 2.953 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.118 5.650 3.100 1.00 0.00 H new ATOM 0 HG23 ILE A 68 3.854 5.947 3.358 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.820 8.094 -0.972 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.848 6.644 -1.316 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.093 8.057 -0.542 1.00 0.00 H new ATOM 1035 N TYR A 69 3.133 3.098 2.913 1.00 0.00 N ATOM 1036 CA TYR A 69 2.382 2.174 3.746 1.00 0.00 C ATOM 1037 C TYR A 69 2.590 2.481 5.230 1.00 0.00 C ATOM 1038 O TYR A 69 3.711 2.407 5.732 1.00 0.00 O ATOM 1039 CB TYR A 69 2.942 0.783 3.441 1.00 0.00 C ATOM 1040 CG TYR A 69 2.273 -0.343 4.232 1.00 0.00 C ATOM 1041 CD1 TYR A 69 0.986 -0.184 4.706 1.00 0.00 C ATOM 1042 CD2 TYR A 69 2.956 -1.518 4.472 1.00 0.00 C ATOM 1043 CE1 TYR A 69 0.357 -1.244 5.450 1.00 0.00 C ATOM 1044 CE2 TYR A 69 2.327 -2.578 5.217 1.00 0.00 C ATOM 1045 CZ TYR A 69 1.058 -2.389 5.669 1.00 0.00 C ATOM 1046 OH TYR A 69 0.464 -3.390 6.372 1.00 0.00 O ATOM 0 H TYR A 69 4.057 3.340 3.270 1.00 0.00 H new ATOM 0 HA TYR A 69 1.315 2.250 3.539 1.00 0.00 H new ATOM 0 HB2 TYR A 69 2.828 0.582 2.376 1.00 0.00 H new ATOM 0 HB3 TYR A 69 4.011 0.778 3.654 1.00 0.00 H new ATOM 0 HD1 TYR A 69 0.451 0.735 4.519 1.00 0.00 H new ATOM 0 HD2 TYR A 69 3.963 -1.643 4.101 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.649 -1.133 5.826 1.00 0.00 H new ATOM 0 HE2 TYR A 69 2.851 -3.502 5.412 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.505 -3.361 6.227 1.00 0.00 H new ATOM 1056 N GLN A 70 1.492 2.818 5.891 1.00 0.00 N ATOM 1057 CA GLN A 70 1.540 3.136 7.308 1.00 0.00 C ATOM 1058 C GLN A 70 2.449 4.343 7.551 1.00 0.00 C ATOM 1059 O GLN A 70 3.027 4.482 8.628 1.00 0.00 O ATOM 1060 CB GLN A 70 2.002 1.928 8.126 1.00 0.00 C ATOM 1061 CG GLN A 70 0.807 1.108 8.615 1.00 0.00 C ATOM 1062 CD GLN A 70 0.880 0.880 10.127 1.00 0.00 C ATOM 1063 OE1 GLN A 70 1.218 1.763 10.898 1.00 0.00 O ATOM 1064 NE2 GLN A 70 0.546 -0.350 10.505 1.00 0.00 N ATOM 0 H GLN A 70 0.564 2.878 5.471 1.00 0.00 H new ATOM 0 HA GLN A 70 0.533 3.392 7.637 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.654 1.301 7.518 1.00 0.00 H new ATOM 0 HB3 GLN A 70 2.590 2.266 8.980 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.120 1.625 8.366 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.785 0.148 8.099 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.272 -1.041 9.807 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.563 -0.602 11.493 1.00 0.00 H new ATOM 1073 N GLY A 71 2.546 5.184 6.532 1.00 0.00 N ATOM 1074 CA GLY A 71 3.375 6.374 6.622 1.00 0.00 C ATOM 1075 C GLY A 71 4.733 6.149 5.954 1.00 0.00 C ATOM 1076 O GLY A 71 5.291 7.063 5.350 1.00 0.00 O ATOM 0 H GLY A 71 2.065 5.065 5.641 1.00 0.00 H new ATOM 0 HA2 GLY A 71 2.866 7.213 6.146 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.521 6.642 7.669 1.00 0.00 H new ATOM 1080 N ARG A 72 5.225 4.926 6.086 1.00 0.00 N ATOM 1081 CA ARG A 72 6.507 4.568 5.504 1.00 0.00 C ATOM 1082 C ARG A 72 6.350 4.284 4.008 1.00 0.00 C ATOM 1083 O ARG A 72 5.254 4.400 3.463 1.00 0.00 O ATOM 1084 CB ARG A 72 7.100 3.336 6.190 1.00 0.00 C ATOM 1085 CG ARG A 72 7.603 3.679 7.594 1.00 0.00 C ATOM 1086 CD ARG A 72 8.080 2.424 8.328 1.00 0.00 C ATOM 1087 NE ARG A 72 9.048 2.793 9.384 1.00 0.00 N ATOM 1088 CZ ARG A 72 9.337 2.021 10.441 1.00 0.00 C ATOM 1089 NH1 ARG A 72 8.734 0.834 10.589 1.00 0.00 N ATOM 1090 NH2 ARG A 72 10.230 2.437 11.350 1.00 0.00 N ATOM 0 H ARG A 72 4.759 4.170 6.588 1.00 0.00 H new ATOM 0 HA ARG A 72 7.183 5.411 5.649 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.346 2.551 6.252 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.922 2.942 5.592 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.420 4.397 7.526 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.805 4.156 8.163 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.229 1.905 8.769 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.544 1.734 7.623 1.00 0.00 H new ATOM 0 HE ARG A 72 9.525 3.691 9.303 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.055 0.517 9.897 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.954 0.247 11.393 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.689 3.341 11.237 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.450 1.850 12.154 1.00 0.00 H new ATOM 1104 N PHE A 73 7.462 3.917 3.388 1.00 0.00 N ATOM 1105 CA PHE A 73 7.461 3.615 1.967 1.00 0.00 C ATOM 1106 C PHE A 73 7.973 2.197 1.707 1.00 0.00 C ATOM 1107 O PHE A 73 8.867 1.718 2.404 1.00 0.00 O ATOM 1108 CB PHE A 73 8.405 4.616 1.297 1.00 0.00 C ATOM 1109 CG PHE A 73 7.862 6.045 1.246 1.00 0.00 C ATOM 1110 CD1 PHE A 73 7.562 6.700 2.400 1.00 0.00 C ATOM 1111 CD2 PHE A 73 7.679 6.661 0.047 1.00 0.00 C ATOM 1112 CE1 PHE A 73 7.059 8.027 2.353 1.00 0.00 C ATOM 1113 CE2 PHE A 73 7.175 7.988 0.000 1.00 0.00 C ATOM 1114 CZ PHE A 73 6.876 8.643 1.154 1.00 0.00 C ATOM 0 H PHE A 73 8.370 3.822 3.844 1.00 0.00 H new ATOM 0 HA PHE A 73 6.447 3.684 1.573 1.00 0.00 H new ATOM 0 HB2 PHE A 73 9.355 4.618 1.832 1.00 0.00 H new ATOM 0 HB3 PHE A 73 8.612 4.280 0.281 1.00 0.00 H new ATOM 0 HD1 PHE A 73 7.706 6.211 3.352 1.00 0.00 H new ATOM 0 HD2 PHE A 73 7.917 6.141 -0.869 1.00 0.00 H new ATOM 0 HE1 PHE A 73 6.822 8.547 3.269 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.029 8.477 -0.952 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.493 9.652 1.118 1.00 0.00 H new ATOM 1124 N LEU A 74 7.384 1.564 0.703 1.00 0.00 N ATOM 1125 CA LEU A 74 7.769 0.210 0.342 1.00 0.00 C ATOM 1126 C LEU A 74 8.636 0.250 -0.918 1.00 0.00 C ATOM 1127 O LEU A 74 8.472 1.131 -1.761 1.00 0.00 O ATOM 1128 CB LEU A 74 6.533 -0.681 0.211 1.00 0.00 C ATOM 1129 CG LEU A 74 5.669 -0.819 1.466 1.00 0.00 C ATOM 1130 CD1 LEU A 74 4.451 -1.706 1.199 1.00 0.00 C ATOM 1131 CD2 LEU A 74 6.497 -1.324 2.650 1.00 0.00 C ATOM 0 H LEU A 74 6.643 1.964 0.128 1.00 0.00 H new ATOM 0 HA LEU A 74 8.374 -0.238 1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.910 -0.289 -0.593 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.858 -1.676 -0.094 1.00 0.00 H new ATOM 0 HG LEU A 74 5.295 0.170 1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.854 -1.787 2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.847 -1.265 0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.783 -2.698 0.893 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.858 -1.413 3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.920 -2.299 2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.303 -0.620 2.857 1.00 0.00 H new ATOM 1143 N HIS A 75 9.538 -0.716 -1.007 1.00 0.00 N ATOM 1144 CA HIS A 75 10.431 -0.803 -2.150 1.00 0.00 C ATOM 1145 C HIS A 75 9.632 -1.187 -3.397 1.00 0.00 C ATOM 1146 O HIS A 75 8.519 -1.701 -3.292 1.00 0.00 O ATOM 1147 CB HIS A 75 11.585 -1.766 -1.867 1.00 0.00 C ATOM 1148 CG HIS A 75 12.935 -1.256 -2.313 1.00 0.00 C ATOM 1149 ND1 HIS A 75 13.540 -1.665 -3.488 1.00 0.00 N ATOM 1150 CD2 HIS A 75 13.788 -0.366 -1.730 1.00 0.00 C ATOM 1151 CE1 HIS A 75 14.705 -1.044 -3.597 1.00 0.00 C ATOM 1152 NE2 HIS A 75 14.857 -0.240 -2.506 1.00 0.00 N ATOM 0 H HIS A 75 9.670 -1.445 -0.306 1.00 0.00 H new ATOM 0 HA HIS A 75 10.884 0.171 -2.336 1.00 0.00 H new ATOM 0 HB2 HIS A 75 11.621 -1.969 -0.797 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.384 -2.714 -2.365 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.622 0.149 -0.795 1.00 0.00 H new ATOM 0 HE1 HIS A 75 15.410 -1.155 -4.407 1.00 0.00 H new ATOM 0 HE2 HIS A 75 15.660 0.360 -2.317 1.00 0.00 H new ATOM 1160 N GLY A 76 10.230 -0.922 -4.549 1.00 0.00 N ATOM 1161 CA GLY A 76 9.588 -1.233 -5.815 1.00 0.00 C ATOM 1162 C GLY A 76 9.686 -2.728 -6.127 1.00 0.00 C ATOM 1163 O GLY A 76 8.873 -3.263 -6.880 1.00 0.00 O ATOM 0 H GLY A 76 11.153 -0.495 -4.632 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.541 -0.933 -5.779 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.056 -0.659 -6.615 1.00 0.00 H new ATOM 1167 N ASN A 77 10.687 -3.359 -5.532 1.00 0.00 N ATOM 1168 CA ASN A 77 10.901 -4.782 -5.737 1.00 0.00 C ATOM 1169 C ASN A 77 10.078 -5.569 -4.715 1.00 0.00 C ATOM 1170 O ASN A 77 9.713 -6.718 -4.960 1.00 0.00 O ATOM 1171 CB ASN A 77 12.374 -5.151 -5.543 1.00 0.00 C ATOM 1172 CG ASN A 77 12.934 -5.843 -6.787 1.00 0.00 C ATOM 1173 OD1 ASN A 77 12.285 -5.951 -7.814 1.00 0.00 O ATOM 1174 ND2 ASN A 77 14.172 -6.304 -6.638 1.00 0.00 N ATOM 0 H ASN A 77 11.359 -2.912 -4.908 1.00 0.00 H new ATOM 0 HA ASN A 77 10.599 -5.025 -6.756 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.953 -4.252 -5.331 1.00 0.00 H new ATOM 0 HB3 ASN A 77 12.477 -5.808 -4.679 1.00 0.00 H new ATOM 0 HD21 ASN A 77 14.635 -6.782 -7.411 1.00 0.00 H new ATOM 0 HD22 ASN A 77 14.659 -6.180 -5.750 1.00 0.00 H new ATOM 1181 N VAL A 78 9.810 -4.920 -3.592 1.00 0.00 N ATOM 1182 CA VAL A 78 9.037 -5.545 -2.532 1.00 0.00 C ATOM 1183 C VAL A 78 7.781 -6.180 -3.131 1.00 0.00 C ATOM 1184 O VAL A 78 7.280 -5.726 -4.158 1.00 0.00 O ATOM 1185 CB VAL A 78 8.727 -4.522 -1.437 1.00 0.00 C ATOM 1186 CG1 VAL A 78 7.519 -4.959 -0.606 1.00 0.00 C ATOM 1187 CG2 VAL A 78 9.949 -4.285 -0.547 1.00 0.00 C ATOM 0 H VAL A 78 10.114 -3.967 -3.393 1.00 0.00 H new ATOM 0 HA VAL A 78 9.611 -6.342 -2.059 1.00 0.00 H new ATOM 0 HB VAL A 78 8.477 -3.578 -1.920 1.00 0.00 H new ATOM 0 HG11 VAL A 78 7.320 -4.215 0.165 1.00 0.00 H new ATOM 0 HG12 VAL A 78 6.647 -5.053 -1.253 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.729 -5.920 -0.137 1.00 0.00 H new ATOM 0 HG21 VAL A 78 9.702 -3.554 0.223 1.00 0.00 H new ATOM 0 HG22 VAL A 78 10.243 -5.223 -0.076 1.00 0.00 H new ATOM 0 HG23 VAL A 78 10.773 -3.909 -1.153 1.00 0.00 H new ATOM 1197 N THR A 79 7.306 -7.221 -2.462 1.00 0.00 N ATOM 1198 CA THR A 79 6.118 -7.923 -2.915 1.00 0.00 C ATOM 1199 C THR A 79 5.230 -8.292 -1.724 1.00 0.00 C ATOM 1200 O THR A 79 5.728 -8.711 -0.680 1.00 0.00 O ATOM 1201 CB THR A 79 6.567 -9.134 -3.735 1.00 0.00 C ATOM 1202 OG1 THR A 79 7.143 -10.012 -2.772 1.00 0.00 O ATOM 1203 CG2 THR A 79 7.726 -8.804 -4.679 1.00 0.00 C ATOM 0 H THR A 79 7.723 -7.595 -1.609 1.00 0.00 H new ATOM 0 HA THR A 79 5.504 -7.289 -3.555 1.00 0.00 H new ATOM 0 HB THR A 79 5.724 -9.514 -4.313 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.459 -10.825 -3.218 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.006 -9.697 -5.237 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.418 -8.023 -5.374 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.580 -8.456 -4.098 1.00 0.00 H new ATOM 1211 N LEU A 80 3.931 -8.122 -1.921 1.00 0.00 N ATOM 1212 CA LEU A 80 2.969 -8.431 -0.876 1.00 0.00 C ATOM 1213 C LEU A 80 3.390 -9.720 -0.167 1.00 0.00 C ATOM 1214 O LEU A 80 3.246 -9.839 1.048 1.00 0.00 O ATOM 1215 CB LEU A 80 1.552 -8.480 -1.451 1.00 0.00 C ATOM 1216 CG LEU A 80 0.891 -7.126 -1.720 1.00 0.00 C ATOM 1217 CD1 LEU A 80 -0.408 -7.298 -2.510 1.00 0.00 C ATOM 1218 CD2 LEU A 80 0.671 -6.355 -0.417 1.00 0.00 C ATOM 0 H LEU A 80 3.522 -7.774 -2.788 1.00 0.00 H new ATOM 0 HA LEU A 80 2.956 -7.642 -0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.579 -9.041 -2.385 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.920 -9.040 -0.761 1.00 0.00 H new ATOM 0 HG LEU A 80 1.567 -6.532 -2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.858 -6.321 -2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.192 -7.778 -3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.101 -7.918 -1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.200 -5.397 -0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.026 -6.934 0.244 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.630 -6.184 0.071 1.00 0.00 H new ATOM 1230 N GLY A 81 3.901 -10.653 -0.958 1.00 0.00 N ATOM 1231 CA GLY A 81 4.343 -11.929 -0.421 1.00 0.00 C ATOM 1232 C GLY A 81 5.396 -11.728 0.671 1.00 0.00 C ATOM 1233 O GLY A 81 5.250 -12.238 1.781 1.00 0.00 O ATOM 0 H GLY A 81 4.019 -10.551 -1.966 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.490 -12.471 -0.013 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.757 -12.541 -1.222 1.00 0.00 H new ATOM 1237 N ALA A 82 6.435 -10.986 0.317 1.00 0.00 N ATOM 1238 CA ALA A 82 7.512 -10.712 1.253 1.00 0.00 C ATOM 1239 C ALA A 82 6.963 -9.915 2.437 1.00 0.00 C ATOM 1240 O ALA A 82 7.564 -9.898 3.511 1.00 0.00 O ATOM 1241 CB ALA A 82 8.643 -9.977 0.529 1.00 0.00 C ATOM 0 H ALA A 82 6.554 -10.566 -0.605 1.00 0.00 H new ATOM 0 HA ALA A 82 7.925 -11.641 1.645 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.451 -9.771 1.231 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.018 -10.598 -0.285 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.266 -9.038 0.124 1.00 0.00 H new ATOM 1247 N LEU A 83 5.828 -9.273 2.203 1.00 0.00 N ATOM 1248 CA LEU A 83 5.191 -8.476 3.237 1.00 0.00 C ATOM 1249 C LEU A 83 4.320 -9.383 4.110 1.00 0.00 C ATOM 1250 O LEU A 83 3.689 -8.918 5.058 1.00 0.00 O ATOM 1251 CB LEU A 83 4.428 -7.304 2.616 1.00 0.00 C ATOM 1252 CG LEU A 83 5.273 -6.285 1.850 1.00 0.00 C ATOM 1253 CD1 LEU A 83 4.392 -5.206 1.217 1.00 0.00 C ATOM 1254 CD2 LEU A 83 6.357 -5.685 2.748 1.00 0.00 C ATOM 0 H LEU A 83 5.333 -9.289 1.311 1.00 0.00 H new ATOM 0 HA LEU A 83 5.941 -8.029 3.889 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.675 -7.705 1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.895 -6.781 3.410 1.00 0.00 H new ATOM 0 HG LEU A 83 5.780 -6.805 1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.018 -4.495 0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.691 -5.670 0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.839 -4.684 1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.943 -4.964 2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.891 -5.184 3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.010 -6.479 3.110 1.00 0.00 H new ATOM 1266 N LYS A 84 4.315 -10.660 3.759 1.00 0.00 N ATOM 1267 CA LYS A 84 3.532 -11.636 4.499 1.00 0.00 C ATOM 1268 C LYS A 84 2.271 -10.964 5.045 1.00 0.00 C ATOM 1269 O LYS A 84 1.922 -11.145 6.210 1.00 0.00 O ATOM 1270 CB LYS A 84 4.389 -12.304 5.576 1.00 0.00 C ATOM 1271 CG LYS A 84 5.108 -11.258 6.431 1.00 0.00 C ATOM 1272 CD LYS A 84 4.162 -10.656 7.472 1.00 0.00 C ATOM 1273 CE LYS A 84 4.944 -10.043 8.635 1.00 0.00 C ATOM 1274 NZ LYS A 84 4.025 -9.638 9.722 1.00 0.00 N ATOM 0 H LYS A 84 4.840 -11.042 2.972 1.00 0.00 H new ATOM 0 HA LYS A 84 3.205 -12.440 3.840 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.760 -12.928 6.211 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.121 -12.962 5.107 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.961 -11.716 6.932 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.501 -10.468 5.791 1.00 0.00 H new ATOM 0 HD2 LYS A 84 3.540 -9.892 7.005 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.490 -11.428 7.848 1.00 0.00 H new ATOM 0 HE2 LYS A 84 5.669 -10.764 9.013 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.507 -9.178 8.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.573 -9.224 10.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.350 -8.934 9.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.506 -10.471 10.066 1.00 0.00 H new ATOM 1288 N LEU A 85 1.622 -10.202 4.177 1.00 0.00 N ATOM 1289 CA LEU A 85 0.407 -9.502 4.558 1.00 0.00 C ATOM 1290 C LEU A 85 -0.739 -10.507 4.679 1.00 0.00 C ATOM 1291 O LEU A 85 -0.750 -11.527 3.992 1.00 0.00 O ATOM 1292 CB LEU A 85 0.121 -8.357 3.583 1.00 0.00 C ATOM 1293 CG LEU A 85 0.125 -6.949 4.182 1.00 0.00 C ATOM 1294 CD1 LEU A 85 1.255 -6.791 5.201 1.00 0.00 C ATOM 1295 CD2 LEU A 85 0.191 -5.887 3.083 1.00 0.00 C ATOM 0 H LEU A 85 1.915 -10.054 3.211 1.00 0.00 H new ATOM 0 HA LEU A 85 0.526 -9.036 5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.862 -8.393 2.784 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.852 -8.532 3.123 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.813 -6.801 4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.236 -5.782 5.612 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.122 -7.513 6.006 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.213 -6.965 4.712 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.193 -4.895 3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.103 -6.022 2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.675 -5.986 2.429 1.00 0.00 H new ATOM 1307 N PRO A 86 -1.701 -10.176 5.583 1.00 0.00 N ATOM 1308 CA PRO A 86 -2.849 -11.039 5.803 1.00 0.00 C ATOM 1309 C PRO A 86 -3.847 -10.930 4.649 1.00 0.00 C ATOM 1310 O PRO A 86 -4.131 -9.832 4.171 1.00 0.00 O ATOM 1311 CB PRO A 86 -3.429 -10.590 7.134 1.00 0.00 C ATOM 1312 CG PRO A 86 -2.870 -9.198 7.383 1.00 0.00 C ATOM 1313 CD PRO A 86 -1.720 -8.977 6.414 1.00 0.00 C ATOM 0 HA PRO A 86 -2.581 -12.095 5.836 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.518 -10.573 7.100 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.146 -11.274 7.934 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.643 -8.444 7.236 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -2.525 -9.104 8.413 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -1.875 -8.081 5.813 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.776 -8.847 6.943 1.00 0.00 H new ATOM 1321 N PHE A 87 -4.351 -12.083 4.233 1.00 0.00 N ATOM 1322 CA PHE A 87 -5.311 -12.130 3.143 1.00 0.00 C ATOM 1323 C PHE A 87 -6.706 -11.725 3.624 1.00 0.00 C ATOM 1324 O PHE A 87 -6.914 -11.497 4.814 1.00 0.00 O ATOM 1325 CB PHE A 87 -5.355 -13.577 2.649 1.00 0.00 C ATOM 1326 CG PHE A 87 -4.039 -14.068 2.041 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -3.260 -13.213 1.326 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -3.649 -15.359 2.217 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -2.039 -13.668 0.762 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -2.428 -15.814 1.653 1.00 0.00 C ATOM 1331 CZ PHE A 87 -1.649 -14.959 0.937 1.00 0.00 C ATOM 0 H PHE A 87 -4.113 -12.991 4.631 1.00 0.00 H new ATOM 0 HA PHE A 87 -5.013 -11.439 2.354 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.623 -14.227 3.482 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.145 -13.672 1.904 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.570 -12.188 1.187 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.268 -16.038 2.785 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -1.420 -12.989 0.194 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -2.118 -16.839 1.792 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.721 -15.306 0.507 1.00 0.00 H new ATOM 1341 N GLY A 88 -7.625 -11.648 2.673 1.00 0.00 N ATOM 1342 CA GLY A 88 -8.994 -11.274 2.984 1.00 0.00 C ATOM 1343 C GLY A 88 -9.033 -10.065 3.920 1.00 0.00 C ATOM 1344 O GLY A 88 -9.936 -9.943 4.746 1.00 0.00 O ATOM 0 H GLY A 88 -7.448 -11.838 1.687 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -9.530 -11.043 2.063 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.508 -12.115 3.449 1.00 0.00 H new ATOM 1348 N LYS A 89 -8.042 -9.200 3.760 1.00 0.00 N ATOM 1349 CA LYS A 89 -7.951 -8.005 4.581 1.00 0.00 C ATOM 1350 C LYS A 89 -7.844 -6.776 3.675 1.00 0.00 C ATOM 1351 O LYS A 89 -7.824 -6.902 2.451 1.00 0.00 O ATOM 1352 CB LYS A 89 -6.804 -8.130 5.585 1.00 0.00 C ATOM 1353 CG LYS A 89 -7.232 -8.946 6.807 1.00 0.00 C ATOM 1354 CD LYS A 89 -7.471 -8.038 8.016 1.00 0.00 C ATOM 1355 CE LYS A 89 -6.161 -7.749 8.751 1.00 0.00 C ATOM 1356 NZ LYS A 89 -6.318 -6.584 9.651 1.00 0.00 N ATOM 0 H LYS A 89 -7.295 -9.303 3.073 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.855 -7.884 5.178 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.948 -8.606 5.107 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -6.482 -7.138 5.900 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.142 -9.500 6.578 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.463 -9.681 7.046 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.923 -7.102 7.689 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.178 -8.512 8.697 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -5.860 -8.624 9.328 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.368 -7.554 8.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.420 -6.401 10.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.584 -5.748 9.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.061 -6.784 10.351 1.00 0.00 H new ATOM 1370 N THR A 90 -7.777 -5.616 4.311 1.00 0.00 N ATOM 1371 CA THR A 90 -7.672 -4.366 3.577 1.00 0.00 C ATOM 1372 C THR A 90 -6.589 -3.477 4.191 1.00 0.00 C ATOM 1373 O THR A 90 -6.713 -3.041 5.335 1.00 0.00 O ATOM 1374 CB THR A 90 -9.055 -3.712 3.557 1.00 0.00 C ATOM 1375 OG1 THR A 90 -9.843 -4.591 2.759 1.00 0.00 O ATOM 1376 CG2 THR A 90 -9.068 -2.393 2.782 1.00 0.00 C ATOM 0 H THR A 90 -7.793 -5.515 5.326 1.00 0.00 H new ATOM 0 HA THR A 90 -7.362 -4.537 2.546 1.00 0.00 H new ATOM 0 HB THR A 90 -9.387 -3.535 4.580 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.787 -4.334 2.824 1.00 0.00 H new ATOM 0 HG21 THR A 90 -10.073 -1.971 2.799 1.00 0.00 H new ATOM 0 HG22 THR A 90 -8.372 -1.693 3.244 1.00 0.00 H new ATOM 0 HG23 THR A 90 -8.768 -2.574 1.750 1.00 0.00 H new ATOM 1384 N THR A 91 -5.551 -3.234 3.404 1.00 0.00 N ATOM 1385 CA THR A 91 -4.447 -2.405 3.856 1.00 0.00 C ATOM 1386 C THR A 91 -4.602 -0.977 3.329 1.00 0.00 C ATOM 1387 O THR A 91 -5.128 -0.768 2.237 1.00 0.00 O ATOM 1388 CB THR A 91 -3.143 -3.076 3.420 1.00 0.00 C ATOM 1389 OG1 THR A 91 -2.824 -3.949 4.500 1.00 0.00 O ATOM 1390 CG2 THR A 91 -1.968 -2.097 3.374 1.00 0.00 C ATOM 0 H THR A 91 -5.451 -3.597 2.456 1.00 0.00 H new ATOM 0 HA THR A 91 -4.437 -2.317 4.942 1.00 0.00 H new ATOM 0 HB THR A 91 -3.278 -3.528 2.437 1.00 0.00 H new ATOM 0 HG1 THR A 91 -1.992 -4.426 4.300 1.00 0.00 H new ATOM 0 HG21 THR A 91 -1.067 -2.624 3.059 1.00 0.00 H new ATOM 0 HG22 THR A 91 -2.188 -1.298 2.666 1.00 0.00 H new ATOM 0 HG23 THR A 91 -1.811 -1.670 4.365 1.00 0.00 H new ATOM 1398 N VAL A 92 -4.133 -0.031 4.129 1.00 0.00 N ATOM 1399 CA VAL A 92 -4.213 1.372 3.757 1.00 0.00 C ATOM 1400 C VAL A 92 -2.846 1.839 3.252 1.00 0.00 C ATOM 1401 O VAL A 92 -1.831 1.626 3.913 1.00 0.00 O ATOM 1402 CB VAL A 92 -4.730 2.198 4.936 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -4.699 3.693 4.613 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -6.137 1.754 5.342 1.00 0.00 C ATOM 0 H VAL A 92 -3.696 -0.208 5.034 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.925 1.512 2.944 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.067 2.024 5.783 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.072 4.258 5.468 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.675 3.997 4.396 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -5.328 3.891 3.745 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.481 2.357 6.182 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -6.817 1.884 4.500 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.117 0.704 5.633 1.00 0.00 H new ATOM 1414 N MET A 93 -2.865 2.468 2.086 1.00 0.00 N ATOM 1415 CA MET A 93 -1.640 2.968 1.486 1.00 0.00 C ATOM 1416 C MET A 93 -1.911 4.215 0.642 1.00 0.00 C ATOM 1417 O MET A 93 -2.948 4.311 -0.013 1.00 0.00 O ATOM 1418 CB MET A 93 -1.022 1.880 0.606 1.00 0.00 C ATOM 1419 CG MET A 93 -0.500 0.718 1.454 1.00 0.00 C ATOM 1420 SD MET A 93 0.041 -0.615 0.398 1.00 0.00 S ATOM 1421 CE MET A 93 0.953 -1.595 1.578 1.00 0.00 C ATOM 0 H MET A 93 -3.709 2.643 1.541 1.00 0.00 H new ATOM 0 HA MET A 93 -0.950 3.237 2.286 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.766 1.513 -0.101 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.206 2.302 0.019 1.00 0.00 H new ATOM 0 HG2 MET A 93 0.327 1.056 2.079 1.00 0.00 H new ATOM 0 HG3 MET A 93 -1.284 0.366 2.125 1.00 0.00 H new ATOM 0 HE1 MET A 93 0.981 -2.633 1.245 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.971 -1.213 1.659 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.466 -1.539 2.551 1.00 0.00 H new ATOM 1431 N HIS A 94 -0.962 5.138 0.685 1.00 0.00 N ATOM 1432 CA HIS A 94 -1.086 6.375 -0.068 1.00 0.00 C ATOM 1433 C HIS A 94 -0.239 6.289 -1.339 1.00 0.00 C ATOM 1434 O HIS A 94 0.746 5.554 -1.384 1.00 0.00 O ATOM 1435 CB HIS A 94 -0.726 7.579 0.804 1.00 0.00 C ATOM 1436 CG HIS A 94 -1.870 8.092 1.646 1.00 0.00 C ATOM 1437 ND1 HIS A 94 -2.363 7.403 2.741 1.00 0.00 N ATOM 1438 CD2 HIS A 94 -2.612 9.232 1.543 1.00 0.00 C ATOM 1439 CE1 HIS A 94 -3.356 8.106 3.264 1.00 0.00 C ATOM 1440 NE2 HIS A 94 -3.510 9.239 2.520 1.00 0.00 N ATOM 0 H HIS A 94 -0.104 5.054 1.230 1.00 0.00 H new ATOM 0 HA HIS A 94 -2.123 6.517 -0.373 1.00 0.00 H new ATOM 0 HB2 HIS A 94 0.100 7.305 1.460 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.370 8.385 0.163 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -2.489 9.999 0.793 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -3.942 7.830 4.129 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -4.201 9.970 2.687 1.00 0.00 H new