USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 826 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: B 14 LYS NZ :NH3+ -143:sc= 0.391 (180deg=-1.82!) USER MOD Set 1.2: B 81 ASN : amide:sc= 1.23 K(o=1.4,f=-5.1!) USER MOD Set 1.3: B 84 THR OG1 : rot -160:sc= -0.199 USER MOD Set 2.1: B 66 GLN : amide:sc= -2.51! C(o=-3.5!,f=-5.2!) USER MOD Set 2.2: B 76 ASN : amide:sc= -0.967 K(o=-3.5,f=-8.3!) USER MOD Set 3.1: A 52 GLN : amide:sc= -9.4! C(o=-14!,f=-13!) USER MOD Set 3.2: B 56 SER OG : rot 68:sc= 2.17 USER MOD Set 3.3: B 60 LYS NZ :NH3+ -128:sc= 0.243 (180deg=-0.058) USER MOD Set 3.4: B 64 GLN : amide:sc= -6.62! C(o=-14!,f=-15!) USER MOD Set 4.1: B 45 HIS : no HE2:sc= 0.553 K(o=1.3,f=-0.46) USER MOD Set 4.2: B 75 THR OG1 : rot -175:sc= 0.73 USER MOD Set 5.1: B 13 LYS NZ :NH3+ -118:sc= 0.428 (180deg=-1.4) USER MOD Set 5.2: B 25 TYR OH : rot 180:sc= 0.68 USER MOD Set 6.1: B 17 GLN : amide:sc= -1.88! C(o=-0.97!,f=-11!) USER MOD Set 6.2: B 18 LYS NZ :NH3+ -145:sc= 0.905 (180deg=-0.859) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 GLN : amide:sc= -0.338! X(o=-0.34!,f=-0.12) USER MOD Single : B 27 MET CE :methyl 179:sc= -1.39 (180deg=-1.45) USER MOD Single : B 42 THR OG1 : rot 180:sc= 0.0653 USER MOD Single : B 44 SER OG : rot 20:sc= 0.277 USER MOD Single : B 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 47 TYR OH : rot 144:sc= 1.22 USER MOD Single : B 51 LYS NZ :NH3+ -128:sc= 0.318 (180deg=-1.75!) USER MOD Single : B 52 CYS SG : rot 180:sc= -8.52! USER MOD Single : B 53 GLN : amide:sc= -2.7! X(o=-2.7!,f=-2.3) USER MOD Single : B 54 LYS NZ :NH3+ 155:sc= 1.24 (180deg=1.15) USER MOD Single : B 62 LYS NZ :NH3+ -154:sc= -1.17 (180deg=-2.91!) USER MOD Single : B 70 HIS :FLIP no HD1:sc= -0.704 F(o=-3!,f=-0.7) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 78 HIS : no HD1:sc= -2.53 X(o=-2.5,f=-2.7!) USER MOD Single : B 80 SER OG : rot 50:sc= 1.1 USER MOD Single : B 83 SER OG : rot 180:sc= 0 USER MOD Single : B 87 LYS NZ :NH3+ 156:sc= 1.25 (180deg=1.11) USER MOD Single : B 93 LYS NZ :NH3+ -147:sc= 2.34 (180deg=2.08) USER MOD Single : B 97 GLN : amide:sc= -0.262 X(o=-0.26,f=0) USER MOD Single : B 98 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : B 102 LYS NZ :NH3+ 178:sc= -0.194 (180deg=-0.243) USER MOD ----------------------------------------------------------------- ATOM 134 N ILE A 50 -0.543 8.735 14.047 1.00 0.00 N ATOM 135 CA ILE A 50 -1.442 8.044 13.194 1.00 0.00 C ATOM 136 C ILE A 50 -1.840 6.650 13.653 1.00 0.00 C ATOM 137 O ILE A 50 -1.030 5.735 13.771 1.00 0.00 O ATOM 138 CB ILE A 50 -0.824 8.001 11.789 1.00 0.00 C ATOM 139 CG1 ILE A 50 -1.285 9.191 10.977 1.00 0.00 C ATOM 140 CG2 ILE A 50 -1.160 6.737 11.061 1.00 0.00 C ATOM 141 CD1 ILE A 50 -0.328 9.530 9.879 1.00 0.00 C ATOM 0 HA ILE A 50 -2.380 8.599 13.209 1.00 0.00 H new ATOM 0 HB ILE A 50 0.258 8.036 11.915 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.265 8.980 10.550 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.403 10.053 11.633 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.701 6.753 10.073 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.783 5.882 11.623 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.242 6.654 10.957 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.701 10.390 9.324 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.646 9.769 10.306 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.230 8.678 9.206 1.00 0.00 H new ATOM 153 N GLU A 51 -3.115 6.580 13.953 1.00 0.00 N ATOM 154 CA GLU A 51 -3.838 5.358 14.288 1.00 0.00 C ATOM 155 C GLU A 51 -5.326 5.675 14.280 1.00 0.00 C ATOM 156 O GLU A 51 -6.130 5.107 15.012 1.00 0.00 O ATOM 157 CB GLU A 51 -3.403 4.680 15.587 1.00 0.00 C ATOM 158 CG GLU A 51 -2.432 3.527 15.350 1.00 0.00 C ATOM 159 CD GLU A 51 -2.747 2.746 14.079 1.00 0.00 C ATOM 160 OE1 GLU A 51 -3.741 1.988 14.069 1.00 0.00 O ATOM 161 OE2 GLU A 51 -2.007 2.898 13.081 1.00 0.00 O ATOM 0 H GLU A 51 -3.712 7.407 13.974 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.594 4.615 13.529 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.934 5.418 16.238 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.283 4.307 16.110 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.417 3.919 15.289 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.462 2.851 16.204 1.00 0.00 H new ATOM 168 N GLN A 52 -5.648 6.631 13.417 1.00 0.00 N ATOM 169 CA GLN A 52 -7.006 7.080 13.163 1.00 0.00 C ATOM 170 C GLN A 52 -7.356 6.570 11.794 1.00 0.00 C ATOM 171 O GLN A 52 -7.180 7.228 10.767 1.00 0.00 O ATOM 172 CB GLN A 52 -7.121 8.614 13.267 1.00 0.00 C ATOM 173 CG GLN A 52 -6.323 9.402 12.224 1.00 0.00 C ATOM 174 CD GLN A 52 -4.830 9.151 12.277 1.00 0.00 C ATOM 175 OE1 GLN A 52 -4.124 9.760 13.070 1.00 0.00 O ATOM 176 NE2 GLN A 52 -4.336 8.261 11.422 1.00 0.00 N ATOM 0 H GLN A 52 -4.951 7.127 12.861 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.703 6.695 13.907 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.172 8.890 13.181 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.792 8.920 14.260 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.690 9.146 11.230 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.508 10.467 12.367 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.958 7.774 10.777 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.335 8.065 11.411 1.00 0.00 H new ATOM 185 N TRP A 53 -7.788 5.346 11.783 1.00 0.00 N ATOM 186 CA TRP A 53 -8.079 4.688 10.557 1.00 0.00 C ATOM 187 C TRP A 53 -9.445 4.069 10.556 1.00 0.00 C ATOM 188 O TRP A 53 -10.157 4.065 11.555 1.00 0.00 O ATOM 189 CB TRP A 53 -7.060 3.574 10.344 1.00 0.00 C ATOM 190 CG TRP A 53 -5.631 4.022 10.328 1.00 0.00 C ATOM 191 CD1 TRP A 53 -4.886 4.477 11.362 1.00 0.00 C ATOM 192 CD2 TRP A 53 -4.787 4.025 9.204 1.00 0.00 C ATOM 193 NE1 TRP A 53 -3.616 4.788 10.931 1.00 0.00 N ATOM 194 CE2 TRP A 53 -3.535 4.515 9.595 1.00 0.00 C ATOM 195 CE3 TRP A 53 -4.988 3.664 7.903 1.00 0.00 C ATOM 196 CZ2 TRP A 53 -2.483 4.650 8.686 1.00 0.00 C ATOM 197 CZ3 TRP A 53 -3.977 3.788 7.016 1.00 0.00 C ATOM 198 CH2 TRP A 53 -2.736 4.276 7.397 1.00 0.00 C ATOM 0 H TRP A 53 -7.946 4.783 12.619 1.00 0.00 H new ATOM 0 HA TRP A 53 -8.037 5.435 9.764 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -7.184 2.832 11.133 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -7.280 3.076 9.400 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.237 4.581 12.378 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.863 5.159 11.511 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -5.947 3.282 7.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.518 5.031 8.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.139 3.501 5.987 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.953 4.362 6.658 1.00 0.00 H new ATOM 209 N PHE A 54 -9.803 3.611 9.389 1.00 0.00 N ATOM 210 CA PHE A 54 -11.016 2.884 9.182 1.00 0.00 C ATOM 211 C PHE A 54 -10.552 1.540 8.751 1.00 0.00 C ATOM 212 O PHE A 54 -10.297 1.327 7.564 1.00 0.00 O ATOM 213 CB PHE A 54 -11.882 3.505 8.098 1.00 0.00 C ATOM 214 CG PHE A 54 -11.936 4.988 8.173 1.00 0.00 C ATOM 215 CD1 PHE A 54 -12.218 5.616 9.368 1.00 0.00 C ATOM 216 CD2 PHE A 54 -11.706 5.751 7.051 1.00 0.00 C ATOM 217 CE1 PHE A 54 -12.274 6.976 9.445 1.00 0.00 C ATOM 218 CE2 PHE A 54 -11.765 7.114 7.112 1.00 0.00 C ATOM 219 CZ PHE A 54 -12.053 7.737 8.315 1.00 0.00 C ATOM 0 H PHE A 54 -9.248 3.737 8.543 1.00 0.00 H new ATOM 0 HA PHE A 54 -11.634 2.871 10.080 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.498 3.210 7.121 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.893 3.106 8.176 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.397 5.024 10.253 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -11.477 5.267 6.113 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.491 7.457 10.388 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -11.588 7.704 6.225 1.00 0.00 H new ATOM 0 HZ PHE A 54 -12.104 8.814 8.369 1.00 0.00 H new ATOM 246 N GLU A 56 -10.716 -1.173 7.272 1.00 0.00 N ATOM 247 CA GLU A 56 -11.550 -1.850 6.285 1.00 0.00 C ATOM 248 C GLU A 56 -11.694 -3.343 6.574 1.00 0.00 C ATOM 249 O GLU A 56 -12.754 -3.926 6.349 1.00 0.00 O ATOM 250 CB GLU A 56 -10.957 -1.644 4.902 1.00 0.00 C ATOM 251 CG GLU A 56 -11.191 -0.249 4.345 1.00 0.00 C ATOM 252 CD GLU A 56 -11.388 -0.273 2.850 1.00 0.00 C ATOM 253 OE1 GLU A 56 -10.865 -1.206 2.205 1.00 0.00 O ATOM 254 OE2 GLU A 56 -12.061 0.635 2.320 1.00 0.00 O ATOM 0 HA GLU A 56 -12.548 -1.416 6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.885 -1.836 4.943 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.386 -2.377 4.218 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.067 0.191 4.821 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.341 0.388 4.590 1.00 0.00 H new ATOM 261 N ASP A 57 -10.630 -3.956 7.072 1.00 0.00 N ATOM 262 CA ASP A 57 -10.667 -5.370 7.407 1.00 0.00 C ATOM 263 C ASP A 57 -10.476 -5.567 8.908 1.00 0.00 C ATOM 264 O ASP A 57 -9.361 -5.601 9.407 1.00 0.00 O ATOM 265 CB ASP A 57 -9.615 -6.154 6.608 1.00 0.00 C ATOM 266 CG ASP A 57 -9.617 -7.647 6.924 1.00 0.00 C ATOM 267 OD1 ASP A 57 -9.086 -8.043 7.989 1.00 0.00 O ATOM 268 OD2 ASP A 57 -10.141 -8.427 6.103 1.00 0.00 O ATOM 0 H ASP A 57 -9.736 -3.499 7.252 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.647 -5.761 7.134 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.797 -6.014 5.543 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.627 -5.745 6.819 1.00 0.00 H new ATOM 415 N GLU B 7 3.733 -8.810 -12.269 1.00 0.00 N ATOM 416 CA GLU B 7 2.574 -8.130 -12.803 1.00 0.00 C ATOM 417 C GLU B 7 2.281 -6.898 -11.963 1.00 0.00 C ATOM 418 O GLU B 7 1.734 -7.000 -10.864 1.00 0.00 O ATOM 419 CB GLU B 7 1.368 -9.069 -12.816 1.00 0.00 C ATOM 420 CG GLU B 7 0.099 -8.438 -13.361 1.00 0.00 C ATOM 421 CD GLU B 7 -1.077 -9.390 -13.326 1.00 0.00 C ATOM 422 OE1 GLU B 7 -1.123 -10.306 -14.172 1.00 0.00 O ATOM 423 OE2 GLU B 7 -1.948 -9.225 -12.448 1.00 0.00 O ATOM 0 HA GLU B 7 2.776 -7.822 -13.829 1.00 0.00 H new ATOM 0 HB2 GLU B 7 1.611 -9.947 -13.414 1.00 0.00 H new ATOM 0 HB3 GLU B 7 1.181 -9.417 -11.800 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -0.140 -7.548 -12.780 1.00 0.00 H new ATOM 0 HG3 GLU B 7 0.270 -8.112 -14.387 1.00 0.00 H new ATOM 430 N VAL B 8 2.677 -5.743 -12.469 1.00 0.00 N ATOM 431 CA VAL B 8 2.444 -4.499 -11.772 1.00 0.00 C ATOM 432 C VAL B 8 1.034 -4.024 -12.067 1.00 0.00 C ATOM 433 O VAL B 8 0.702 -3.658 -13.194 1.00 0.00 O ATOM 434 CB VAL B 8 3.473 -3.418 -12.155 1.00 0.00 C ATOM 435 CG1 VAL B 8 3.221 -2.141 -11.371 1.00 0.00 C ATOM 436 CG2 VAL B 8 4.887 -3.925 -11.906 1.00 0.00 C ATOM 0 H VAL B 8 3.162 -5.645 -13.361 1.00 0.00 H new ATOM 0 HA VAL B 8 2.560 -4.677 -10.703 1.00 0.00 H new ATOM 0 HB VAL B 8 3.364 -3.196 -13.217 1.00 0.00 H new ATOM 0 HG11 VAL B 8 3.957 -1.389 -11.654 1.00 0.00 H new ATOM 0 HG12 VAL B 8 2.220 -1.770 -11.591 1.00 0.00 H new ATOM 0 HG13 VAL B 8 3.305 -2.347 -10.304 1.00 0.00 H new ATOM 0 HG21 VAL B 8 5.604 -3.152 -12.181 1.00 0.00 H new ATOM 0 HG22 VAL B 8 5.005 -4.171 -10.851 1.00 0.00 H new ATOM 0 HG23 VAL B 8 5.065 -4.816 -12.508 1.00 0.00 H new ATOM 446 N LEU B 9 0.222 -4.038 -11.034 1.00 0.00 N ATOM 447 CA LEU B 9 -1.170 -3.673 -11.133 1.00 0.00 C ATOM 448 C LEU B 9 -1.363 -2.178 -10.980 1.00 0.00 C ATOM 449 O LEU B 9 -2.201 -1.582 -11.655 1.00 0.00 O ATOM 450 CB LEU B 9 -1.962 -4.412 -10.057 1.00 0.00 C ATOM 451 CG LEU B 9 -2.168 -5.904 -10.310 1.00 0.00 C ATOM 452 CD1 LEU B 9 -2.849 -6.552 -9.121 1.00 0.00 C ATOM 453 CD2 LEU B 9 -2.989 -6.120 -11.566 1.00 0.00 C ATOM 0 H LEU B 9 0.514 -4.306 -10.094 1.00 0.00 H new ATOM 0 HA LEU B 9 -1.531 -3.955 -12.122 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.450 -4.289 -9.103 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -2.939 -3.938 -9.958 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.192 -6.368 -10.449 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -2.989 -7.615 -9.317 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -2.230 -6.425 -8.233 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -3.819 -6.083 -8.957 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.126 -7.189 -11.732 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -3.962 -5.643 -11.451 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -2.470 -5.684 -12.420 1.00 0.00 H new ATOM 465 N LEU B 10 -0.595 -1.567 -10.096 1.00 0.00 N ATOM 466 CA LEU B 10 -0.733 -0.145 -9.878 1.00 0.00 C ATOM 467 C LEU B 10 0.601 0.520 -9.608 1.00 0.00 C ATOM 468 O LEU B 10 1.350 0.096 -8.729 1.00 0.00 O ATOM 469 CB LEU B 10 -1.639 0.118 -8.685 1.00 0.00 C ATOM 470 CG LEU B 10 -2.454 1.412 -8.768 1.00 0.00 C ATOM 471 CD1 LEU B 10 -3.427 1.366 -9.937 1.00 0.00 C ATOM 472 CD2 LEU B 10 -3.200 1.659 -7.469 1.00 0.00 C ATOM 0 H LEU B 10 0.117 -2.026 -9.528 1.00 0.00 H new ATOM 0 HA LEU B 10 -1.160 0.273 -10.790 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.326 -0.721 -8.577 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -1.028 0.148 -7.783 1.00 0.00 H new ATOM 0 HG LEU B 10 -1.761 2.237 -8.932 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -3.994 2.296 -9.975 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -2.873 1.241 -10.867 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -4.112 0.528 -9.807 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.773 2.583 -7.548 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.878 0.828 -7.275 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.486 1.744 -6.650 1.00 0.00 H new ATOM 484 N ILE B 11 0.895 1.548 -10.379 1.00 0.00 N ATOM 485 CA ILE B 11 2.105 2.323 -10.180 1.00 0.00 C ATOM 486 C ILE B 11 1.732 3.676 -9.596 1.00 0.00 C ATOM 487 O ILE B 11 1.168 4.527 -10.282 1.00 0.00 O ATOM 488 CB ILE B 11 2.901 2.543 -11.487 1.00 0.00 C ATOM 489 CG1 ILE B 11 3.427 1.207 -12.020 1.00 0.00 C ATOM 490 CG2 ILE B 11 4.050 3.523 -11.248 1.00 0.00 C ATOM 491 CD1 ILE B 11 4.266 1.332 -13.272 1.00 0.00 C ATOM 0 H ILE B 11 0.311 1.867 -11.152 1.00 0.00 H new ATOM 0 HA ILE B 11 2.745 1.758 -9.502 1.00 0.00 H new ATOM 0 HB ILE B 11 2.236 2.972 -12.237 1.00 0.00 H new ATOM 0 HG12 ILE B 11 4.021 0.726 -11.243 1.00 0.00 H new ATOM 0 HG13 ILE B 11 2.581 0.551 -12.226 1.00 0.00 H new ATOM 0 HG21 ILE B 11 4.603 3.669 -12.176 1.00 0.00 H new ATOM 0 HG22 ILE B 11 3.649 4.479 -10.910 1.00 0.00 H new ATOM 0 HG23 ILE B 11 4.719 3.121 -10.487 1.00 0.00 H new ATOM 0 HD11 ILE B 11 4.600 0.343 -13.586 1.00 0.00 H new ATOM 0 HD12 ILE B 11 3.670 1.783 -14.066 1.00 0.00 H new ATOM 0 HD13 ILE B 11 5.133 1.960 -13.068 1.00 0.00 H new ATOM 503 N VAL B 12 2.027 3.859 -8.324 1.00 0.00 N ATOM 504 CA VAL B 12 1.735 5.107 -7.648 1.00 0.00 C ATOM 505 C VAL B 12 3.039 5.762 -7.238 1.00 0.00 C ATOM 506 O VAL B 12 3.875 5.131 -6.600 1.00 0.00 O ATOM 507 CB VAL B 12 0.854 4.886 -6.401 1.00 0.00 C ATOM 508 CG1 VAL B 12 0.339 6.210 -5.869 1.00 0.00 C ATOM 509 CG2 VAL B 12 -0.303 3.950 -6.715 1.00 0.00 C ATOM 0 H VAL B 12 2.471 3.155 -7.735 1.00 0.00 H new ATOM 0 HA VAL B 12 1.184 5.749 -8.335 1.00 0.00 H new ATOM 0 HB VAL B 12 1.468 4.421 -5.630 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -0.280 6.033 -4.990 1.00 0.00 H new ATOM 0 HG12 VAL B 12 1.182 6.846 -5.597 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.255 6.704 -6.637 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.910 3.809 -5.821 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.916 4.382 -7.506 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.087 2.987 -7.044 1.00 0.00 H new ATOM 519 N LYS B 13 3.224 7.011 -7.611 1.00 0.00 N ATOM 520 CA LYS B 13 4.452 7.708 -7.280 1.00 0.00 C ATOM 521 C LYS B 13 4.216 8.749 -6.200 1.00 0.00 C ATOM 522 O LYS B 13 3.075 9.035 -5.844 1.00 0.00 O ATOM 523 CB LYS B 13 5.060 8.346 -8.530 1.00 0.00 C ATOM 524 CG LYS B 13 5.570 7.316 -9.525 1.00 0.00 C ATOM 525 CD LYS B 13 6.808 7.799 -10.263 1.00 0.00 C ATOM 526 CE LYS B 13 7.829 6.680 -10.414 1.00 0.00 C ATOM 527 NZ LYS B 13 8.386 6.258 -9.101 1.00 0.00 N ATOM 0 H LYS B 13 2.547 7.562 -8.139 1.00 0.00 H new ATOM 0 HA LYS B 13 5.161 6.979 -6.888 1.00 0.00 H new ATOM 0 HB2 LYS B 13 4.311 8.973 -9.014 1.00 0.00 H new ATOM 0 HB3 LYS B 13 5.881 9.000 -8.237 1.00 0.00 H new ATOM 0 HG2 LYS B 13 5.800 6.389 -9.001 1.00 0.00 H new ATOM 0 HG3 LYS B 13 4.784 7.089 -10.246 1.00 0.00 H new ATOM 0 HD2 LYS B 13 6.526 8.173 -11.247 1.00 0.00 H new ATOM 0 HD3 LYS B 13 7.255 8.633 -9.722 1.00 0.00 H new ATOM 0 HE2 LYS B 13 7.361 5.825 -10.902 1.00 0.00 H new ATOM 0 HE3 LYS B 13 8.640 7.013 -11.062 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 9.411 6.434 -9.086 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 7.930 6.801 -8.340 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 8.207 5.244 -8.958 1.00 0.00 H new ATOM 541 N LYS B 14 5.311 9.306 -5.697 1.00 0.00 N ATOM 542 CA LYS B 14 5.276 10.309 -4.643 1.00 0.00 C ATOM 543 C LYS B 14 4.625 9.764 -3.372 1.00 0.00 C ATOM 544 O LYS B 14 3.941 10.490 -2.645 1.00 0.00 O ATOM 545 CB LYS B 14 4.548 11.545 -5.143 1.00 0.00 C ATOM 546 CG LYS B 14 5.463 12.564 -5.802 1.00 0.00 C ATOM 547 CD LYS B 14 4.684 13.745 -6.357 1.00 0.00 C ATOM 548 CE LYS B 14 4.248 14.698 -5.256 1.00 0.00 C ATOM 549 NZ LYS B 14 3.420 15.810 -5.788 1.00 0.00 N ATOM 0 H LYS B 14 6.253 9.072 -6.011 1.00 0.00 H new ATOM 0 HA LYS B 14 6.300 10.579 -4.385 1.00 0.00 H new ATOM 0 HB2 LYS B 14 3.782 11.242 -5.857 1.00 0.00 H new ATOM 0 HB3 LYS B 14 4.034 12.018 -4.306 1.00 0.00 H new ATOM 0 HG2 LYS B 14 6.194 12.920 -5.076 1.00 0.00 H new ATOM 0 HG3 LYS B 14 6.020 12.085 -6.607 1.00 0.00 H new ATOM 0 HD2 LYS B 14 5.300 14.281 -7.079 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.807 13.383 -6.893 1.00 0.00 H new ATOM 0 HE2 LYS B 14 3.681 14.150 -4.504 1.00 0.00 H new ATOM 0 HE3 LYS B 14 5.128 15.105 -4.758 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 3.646 16.687 -5.276 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 3.621 15.939 -6.800 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 2.413 15.584 -5.661 1.00 0.00 H new ATOM 563 N VAL B 15 4.852 8.485 -3.105 1.00 0.00 N ATOM 564 CA VAL B 15 4.307 7.845 -1.917 1.00 0.00 C ATOM 565 C VAL B 15 5.397 7.720 -0.868 1.00 0.00 C ATOM 566 O VAL B 15 6.425 7.092 -1.107 1.00 0.00 O ATOM 567 CB VAL B 15 3.721 6.447 -2.218 1.00 0.00 C ATOM 568 CG1 VAL B 15 2.986 5.900 -1.000 1.00 0.00 C ATOM 569 CG2 VAL B 15 2.794 6.509 -3.419 1.00 0.00 C ATOM 0 H VAL B 15 5.411 7.870 -3.696 1.00 0.00 H new ATOM 0 HA VAL B 15 3.492 8.470 -1.551 1.00 0.00 H new ATOM 0 HB VAL B 15 4.543 5.771 -2.452 1.00 0.00 H new ATOM 0 HG11 VAL B 15 2.581 4.915 -1.232 1.00 0.00 H new ATOM 0 HG12 VAL B 15 3.679 5.819 -0.163 1.00 0.00 H new ATOM 0 HG13 VAL B 15 2.172 6.574 -0.733 1.00 0.00 H new ATOM 0 HG21 VAL B 15 2.390 5.517 -3.618 1.00 0.00 H new ATOM 0 HG22 VAL B 15 1.976 7.199 -3.212 1.00 0.00 H new ATOM 0 HG23 VAL B 15 3.350 6.856 -4.290 1.00 0.00 H new ATOM 579 N ARG B 16 5.178 8.319 0.286 1.00 0.00 N ATOM 580 CA ARG B 16 6.150 8.283 1.349 1.00 0.00 C ATOM 581 C ARG B 16 5.895 7.126 2.289 1.00 0.00 C ATOM 582 O ARG B 16 4.756 6.758 2.565 1.00 0.00 O ATOM 583 CB ARG B 16 6.168 9.608 2.110 1.00 0.00 C ATOM 584 CG ARG B 16 6.968 10.664 1.381 1.00 0.00 C ATOM 585 CD ARG B 16 6.774 12.057 1.941 1.00 0.00 C ATOM 586 NE ARG B 16 7.884 12.924 1.548 1.00 0.00 N ATOM 587 CZ ARG B 16 7.785 14.228 1.317 1.00 0.00 C ATOM 588 NH1 ARG B 16 6.633 14.863 1.518 1.00 0.00 N ATOM 589 NH2 ARG B 16 8.849 14.889 0.885 1.00 0.00 N ATOM 0 H ARG B 16 4.328 8.838 0.507 1.00 0.00 H new ATOM 0 HA ARG B 16 7.131 8.133 0.898 1.00 0.00 H new ATOM 0 HB2 ARG B 16 5.146 9.960 2.252 1.00 0.00 H new ATOM 0 HB3 ARG B 16 6.592 9.452 3.102 1.00 0.00 H new ATOM 0 HG2 ARG B 16 8.026 10.405 1.428 1.00 0.00 H new ATOM 0 HG3 ARG B 16 6.686 10.661 0.328 1.00 0.00 H new ATOM 0 HD2 ARG B 16 5.834 12.473 1.580 1.00 0.00 H new ATOM 0 HD3 ARG B 16 6.706 12.013 3.028 1.00 0.00 H new ATOM 0 HE ARG B 16 8.803 12.495 1.443 1.00 0.00 H new ATOM 0 HH11 ARG B 16 5.818 14.348 1.852 1.00 0.00 H new ATOM 0 HH12 ARG B 16 6.565 15.865 1.338 1.00 0.00 H new ATOM 0 HH21 ARG B 16 9.729 14.396 0.734 1.00 0.00 H new ATOM 0 HH22 ARG B 16 8.788 15.891 0.703 1.00 0.00 H new ATOM 603 N GLN B 17 6.974 6.537 2.740 1.00 0.00 N ATOM 604 CA GLN B 17 6.919 5.428 3.655 1.00 0.00 C ATOM 605 C GLN B 17 7.991 5.626 4.706 1.00 0.00 C ATOM 606 O GLN B 17 9.179 5.471 4.415 1.00 0.00 O ATOM 607 CB GLN B 17 7.137 4.120 2.897 1.00 0.00 C ATOM 608 CG GLN B 17 6.242 2.983 3.351 1.00 0.00 C ATOM 609 CD GLN B 17 6.621 2.456 4.714 1.00 0.00 C ATOM 610 OE1 GLN B 17 6.015 2.809 5.722 1.00 0.00 O ATOM 611 NE2 GLN B 17 7.648 1.633 4.750 1.00 0.00 N ATOM 0 H GLN B 17 7.920 6.816 2.480 1.00 0.00 H new ATOM 0 HA GLN B 17 5.942 5.378 4.136 1.00 0.00 H new ATOM 0 HB2 GLN B 17 6.971 4.297 1.834 1.00 0.00 H new ATOM 0 HB3 GLN B 17 8.178 3.816 3.011 1.00 0.00 H new ATOM 0 HG2 GLN B 17 5.208 3.326 3.373 1.00 0.00 H new ATOM 0 HG3 GLN B 17 6.294 2.172 2.624 1.00 0.00 H new ATOM 0 HE21 GLN B 17 8.120 1.368 3.885 1.00 0.00 H new ATOM 0 HE22 GLN B 17 7.972 1.260 5.643 1.00 0.00 H new ATOM 620 N LYS B 18 7.567 6.026 5.900 1.00 0.00 N ATOM 621 CA LYS B 18 8.481 6.266 7.010 1.00 0.00 C ATOM 622 C LYS B 18 9.317 7.510 6.725 1.00 0.00 C ATOM 623 O LYS B 18 10.546 7.479 6.790 1.00 0.00 O ATOM 624 CB LYS B 18 9.369 5.040 7.268 1.00 0.00 C ATOM 625 CG LYS B 18 8.583 3.794 7.653 1.00 0.00 C ATOM 626 CD LYS B 18 7.900 3.972 8.996 1.00 0.00 C ATOM 627 CE LYS B 18 6.454 3.514 8.972 1.00 0.00 C ATOM 628 NZ LYS B 18 5.669 4.196 7.909 1.00 0.00 N ATOM 0 H LYS B 18 6.586 6.192 6.125 1.00 0.00 H new ATOM 0 HA LYS B 18 7.901 6.438 7.917 1.00 0.00 H new ATOM 0 HB2 LYS B 18 9.954 4.829 6.373 1.00 0.00 H new ATOM 0 HB3 LYS B 18 10.077 5.274 8.063 1.00 0.00 H new ATOM 0 HG2 LYS B 18 7.837 3.580 6.888 1.00 0.00 H new ATOM 0 HG3 LYS B 18 9.253 2.935 7.693 1.00 0.00 H new ATOM 0 HD2 LYS B 18 8.444 3.410 9.755 1.00 0.00 H new ATOM 0 HD3 LYS B 18 7.941 5.022 9.286 1.00 0.00 H new ATOM 0 HE2 LYS B 18 6.418 2.436 8.814 1.00 0.00 H new ATOM 0 HE3 LYS B 18 5.996 3.709 9.942 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 4.696 4.353 8.242 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 6.110 5.111 7.685 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 5.651 3.602 7.055 1.00 0.00 H new ATOM 642 N LYS B 19 8.614 8.600 6.399 1.00 0.00 N ATOM 643 CA LYS B 19 9.232 9.888 6.080 1.00 0.00 C ATOM 644 C LYS B 19 10.198 9.771 4.900 1.00 0.00 C ATOM 645 O LYS B 19 11.140 10.552 4.775 1.00 0.00 O ATOM 646 CB LYS B 19 9.950 10.475 7.307 1.00 0.00 C ATOM 647 CG LYS B 19 9.031 11.257 8.241 1.00 0.00 C ATOM 648 CD LYS B 19 8.676 10.453 9.483 1.00 0.00 C ATOM 649 CE LYS B 19 7.503 11.064 10.239 1.00 0.00 C ATOM 650 NZ LYS B 19 6.590 10.021 10.783 1.00 0.00 N ATOM 0 H LYS B 19 7.595 8.612 6.349 1.00 0.00 H new ATOM 0 HA LYS B 19 8.431 10.569 5.791 1.00 0.00 H new ATOM 0 HB2 LYS B 19 10.416 9.664 7.866 1.00 0.00 H new ATOM 0 HB3 LYS B 19 10.752 11.131 6.968 1.00 0.00 H new ATOM 0 HG2 LYS B 19 9.517 12.187 8.536 1.00 0.00 H new ATOM 0 HG3 LYS B 19 8.119 11.529 7.710 1.00 0.00 H new ATOM 0 HD2 LYS B 19 8.430 9.431 9.196 1.00 0.00 H new ATOM 0 HD3 LYS B 19 9.543 10.399 10.141 1.00 0.00 H new ATOM 0 HE2 LYS B 19 7.879 11.680 11.056 1.00 0.00 H new ATOM 0 HE3 LYS B 19 6.946 11.723 9.573 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 5.805 10.477 11.290 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 6.211 9.449 10.001 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 7.115 9.407 11.438 1.00 0.00 H new ATOM 664 N GLN B 20 9.938 8.811 4.019 1.00 0.00 N ATOM 665 CA GLN B 20 10.780 8.596 2.852 1.00 0.00 C ATOM 666 C GLN B 20 9.935 8.657 1.596 1.00 0.00 C ATOM 667 O GLN B 20 9.031 7.843 1.420 1.00 0.00 O ATOM 668 CB GLN B 20 11.473 7.235 2.935 1.00 0.00 C ATOM 669 CG GLN B 20 12.671 7.209 3.869 1.00 0.00 C ATOM 670 CD GLN B 20 13.013 5.809 4.347 1.00 0.00 C ATOM 671 OE1 GLN B 20 14.182 5.457 4.481 1.00 0.00 O ATOM 672 NE2 GLN B 20 11.996 5.005 4.624 1.00 0.00 N ATOM 0 H GLN B 20 9.149 8.169 4.093 1.00 0.00 H new ATOM 0 HA GLN B 20 11.540 9.377 2.822 1.00 0.00 H new ATOM 0 HB2 GLN B 20 10.750 6.490 3.267 1.00 0.00 H new ATOM 0 HB3 GLN B 20 11.797 6.942 1.936 1.00 0.00 H new ATOM 0 HG2 GLN B 20 13.534 7.635 3.357 1.00 0.00 H new ATOM 0 HG3 GLN B 20 12.467 7.843 4.732 1.00 0.00 H new ATOM 0 HE21 GLN B 20 11.038 5.333 4.500 1.00 0.00 H new ATOM 0 HE22 GLN B 20 12.171 4.058 4.961 1.00 0.00 H new ATOM 681 N ASP B 21 10.217 9.614 0.729 1.00 0.00 N ATOM 682 CA ASP B 21 9.456 9.761 -0.503 1.00 0.00 C ATOM 683 C ASP B 21 9.928 8.806 -1.585 1.00 0.00 C ATOM 684 O ASP B 21 11.086 8.807 -2.002 1.00 0.00 O ATOM 685 CB ASP B 21 9.441 11.217 -0.994 1.00 0.00 C ATOM 686 CG ASP B 21 10.663 12.009 -0.580 1.00 0.00 C ATOM 687 OD1 ASP B 21 11.729 11.842 -1.195 1.00 0.00 O ATOM 688 OD2 ASP B 21 10.540 12.807 0.383 1.00 0.00 O ATOM 0 H ASP B 21 10.963 10.298 0.853 1.00 0.00 H new ATOM 0 HA ASP B 21 8.426 9.489 -0.271 1.00 0.00 H new ATOM 0 HB2 ASP B 21 9.365 11.224 -2.081 1.00 0.00 H new ATOM 0 HB3 ASP B 21 8.550 11.712 -0.609 1.00 0.00 H new ATOM 693 N GLY B 22 9.004 7.957 -1.997 1.00 0.00 N ATOM 694 CA GLY B 22 9.269 6.987 -3.023 1.00 0.00 C ATOM 695 C GLY B 22 8.043 6.730 -3.861 1.00 0.00 C ATOM 696 O GLY B 22 7.373 7.665 -4.295 1.00 0.00 O ATOM 0 H GLY B 22 8.054 7.927 -1.626 1.00 0.00 H new ATOM 0 HA2 GLY B 22 10.080 7.340 -3.660 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.603 6.055 -2.568 1.00 0.00 H new ATOM 700 N ALA B 23 7.714 5.467 -4.050 1.00 0.00 N ATOM 701 CA ALA B 23 6.574 5.105 -4.855 1.00 0.00 C ATOM 702 C ALA B 23 6.002 3.770 -4.417 1.00 0.00 C ATOM 703 O ALA B 23 6.741 2.861 -4.031 1.00 0.00 O ATOM 704 CB ALA B 23 6.981 5.062 -6.311 1.00 0.00 C ATOM 0 H ALA B 23 8.223 4.677 -3.655 1.00 0.00 H new ATOM 0 HA ALA B 23 5.795 5.855 -4.723 1.00 0.00 H new ATOM 0 HB1 ALA B 23 6.120 4.788 -6.921 1.00 0.00 H new ATOM 0 HB2 ALA B 23 7.345 6.043 -6.616 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.771 4.323 -6.446 1.00 0.00 H new ATOM 710 N LEU B 24 4.689 3.657 -4.492 1.00 0.00 N ATOM 711 CA LEU B 24 3.995 2.450 -4.091 1.00 0.00 C ATOM 712 C LEU B 24 3.580 1.672 -5.338 1.00 0.00 C ATOM 713 O LEU B 24 2.841 2.179 -6.183 1.00 0.00 O ATOM 714 CB LEU B 24 2.766 2.825 -3.255 1.00 0.00 C ATOM 715 CG LEU B 24 2.350 1.827 -2.166 1.00 0.00 C ATOM 716 CD1 LEU B 24 0.958 2.155 -1.654 1.00 0.00 C ATOM 717 CD2 LEU B 24 2.407 0.397 -2.665 1.00 0.00 C ATOM 0 H LEU B 24 4.076 4.398 -4.832 1.00 0.00 H new ATOM 0 HA LEU B 24 4.651 1.823 -3.487 1.00 0.00 H new ATOM 0 HB2 LEU B 24 2.956 3.788 -2.781 1.00 0.00 H new ATOM 0 HB3 LEU B 24 1.922 2.964 -3.931 1.00 0.00 H new ATOM 0 HG LEU B 24 3.061 1.917 -1.345 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.676 1.439 -0.882 1.00 0.00 H new ATOM 0 HD12 LEU B 24 0.952 3.161 -1.235 1.00 0.00 H new ATOM 0 HD13 LEU B 24 0.245 2.101 -2.477 1.00 0.00 H new ATOM 0 HD21 LEU B 24 2.106 -0.280 -1.865 1.00 0.00 H new ATOM 0 HD22 LEU B 24 1.732 0.280 -3.513 1.00 0.00 H new ATOM 0 HD23 LEU B 24 3.425 0.160 -2.976 1.00 0.00 H new ATOM 729 N TYR B 25 4.067 0.450 -5.454 1.00 0.00 N ATOM 730 CA TYR B 25 3.751 -0.394 -6.600 1.00 0.00 C ATOM 731 C TYR B 25 2.969 -1.633 -6.162 1.00 0.00 C ATOM 732 O TYR B 25 3.390 -2.359 -5.259 1.00 0.00 O ATOM 733 CB TYR B 25 5.033 -0.824 -7.325 1.00 0.00 C ATOM 734 CG TYR B 25 5.978 0.310 -7.675 1.00 0.00 C ATOM 735 CD1 TYR B 25 5.834 1.019 -8.861 1.00 0.00 C ATOM 736 CD2 TYR B 25 7.023 0.658 -6.827 1.00 0.00 C ATOM 737 CE1 TYR B 25 6.703 2.047 -9.190 1.00 0.00 C ATOM 738 CE2 TYR B 25 7.895 1.682 -7.150 1.00 0.00 C ATOM 739 CZ TYR B 25 7.732 2.372 -8.332 1.00 0.00 C ATOM 740 OH TYR B 25 8.602 3.393 -8.659 1.00 0.00 O ATOM 0 H TYR B 25 4.685 0.016 -4.768 1.00 0.00 H new ATOM 0 HA TYR B 25 3.134 0.189 -7.284 1.00 0.00 H new ATOM 0 HB2 TYR B 25 5.564 -1.541 -6.699 1.00 0.00 H new ATOM 0 HB3 TYR B 25 4.758 -1.345 -8.242 1.00 0.00 H new ATOM 0 HD1 TYR B 25 5.032 0.765 -9.538 1.00 0.00 H new ATOM 0 HD2 TYR B 25 7.156 0.120 -5.900 1.00 0.00 H new ATOM 0 HE1 TYR B 25 6.575 2.591 -10.114 1.00 0.00 H new ATOM 0 HE2 TYR B 25 8.701 1.940 -6.479 1.00 0.00 H new ATOM 0 HH TYR B 25 9.269 3.495 -7.948 1.00 0.00 H new ATOM 750 N LEU B 26 1.826 -1.869 -6.797 1.00 0.00 N ATOM 751 CA LEU B 26 0.995 -3.028 -6.473 1.00 0.00 C ATOM 752 C LEU B 26 1.238 -4.142 -7.476 1.00 0.00 C ATOM 753 O LEU B 26 1.296 -3.881 -8.674 1.00 0.00 O ATOM 754 CB LEU B 26 -0.495 -2.677 -6.500 1.00 0.00 C ATOM 755 CG LEU B 26 -0.903 -1.435 -5.716 1.00 0.00 C ATOM 756 CD1 LEU B 26 -2.416 -1.314 -5.665 1.00 0.00 C ATOM 757 CD2 LEU B 26 -0.342 -1.477 -4.320 1.00 0.00 C ATOM 0 H LEU B 26 1.452 -1.276 -7.538 1.00 0.00 H new ATOM 0 HA LEU B 26 1.269 -3.350 -5.468 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -0.798 -2.543 -7.538 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.055 -3.528 -6.112 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.496 -0.562 -6.227 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -2.691 -0.422 -5.102 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.809 -1.238 -6.679 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.835 -2.194 -5.178 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -0.646 -0.581 -3.779 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.720 -2.359 -3.803 1.00 0.00 H new ATOM 0 HD23 LEU B 26 0.746 -1.522 -4.366 1.00 0.00 H new ATOM 769 N MET B 27 1.380 -5.370 -6.994 1.00 0.00 N ATOM 770 CA MET B 27 1.590 -6.514 -7.871 1.00 0.00 C ATOM 771 C MET B 27 0.477 -7.529 -7.644 1.00 0.00 C ATOM 772 O MET B 27 -0.167 -7.522 -6.596 1.00 0.00 O ATOM 773 CB MET B 27 2.942 -7.188 -7.612 1.00 0.00 C ATOM 774 CG MET B 27 4.032 -6.259 -7.106 1.00 0.00 C ATOM 775 SD MET B 27 4.639 -5.103 -8.342 1.00 0.00 S ATOM 776 CE MET B 27 5.863 -4.246 -7.357 1.00 0.00 C ATOM 0 H MET B 27 1.354 -5.599 -6.000 1.00 0.00 H new ATOM 0 HA MET B 27 1.582 -6.155 -8.900 1.00 0.00 H new ATOM 0 HB2 MET B 27 2.800 -7.988 -6.885 1.00 0.00 H new ATOM 0 HB3 MET B 27 3.282 -7.654 -8.537 1.00 0.00 H new ATOM 0 HG2 MET B 27 3.649 -5.697 -6.254 1.00 0.00 H new ATOM 0 HG3 MET B 27 4.867 -6.859 -6.743 1.00 0.00 H new ATOM 0 HE1 MET B 27 6.361 -3.494 -7.969 1.00 0.00 H new ATOM 0 HE2 MET B 27 5.375 -3.760 -6.512 1.00 0.00 H new ATOM 0 HE3 MET B 27 6.599 -4.961 -6.989 1.00 0.00 H new ATOM 786 N ALA B 28 0.285 -8.403 -8.619 1.00 0.00 N ATOM 787 CA ALA B 28 -0.759 -9.431 -8.585 1.00 0.00 C ATOM 788 C ALA B 28 -0.859 -10.184 -7.255 1.00 0.00 C ATOM 789 O ALA B 28 -1.953 -10.349 -6.712 1.00 0.00 O ATOM 790 CB ALA B 28 -0.517 -10.426 -9.702 1.00 0.00 C ATOM 0 H ALA B 28 0.851 -8.424 -9.467 1.00 0.00 H new ATOM 0 HA ALA B 28 -1.706 -8.906 -8.712 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -1.291 -11.193 -9.680 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -0.544 -9.910 -10.662 1.00 0.00 H new ATOM 0 HB3 ALA B 28 0.459 -10.892 -9.569 1.00 0.00 H new ATOM 796 N GLU B 29 0.268 -10.639 -6.732 1.00 0.00 N ATOM 797 CA GLU B 29 0.268 -11.413 -5.496 1.00 0.00 C ATOM 798 C GLU B 29 0.990 -10.710 -4.350 1.00 0.00 C ATOM 799 O GLU B 29 1.048 -11.238 -3.233 1.00 0.00 O ATOM 800 CB GLU B 29 0.913 -12.785 -5.738 1.00 0.00 C ATOM 801 CG GLU B 29 2.010 -12.789 -6.803 1.00 0.00 C ATOM 802 CD GLU B 29 3.092 -11.754 -6.551 1.00 0.00 C ATOM 803 OE1 GLU B 29 4.011 -12.030 -5.755 1.00 0.00 O ATOM 804 OE2 GLU B 29 3.007 -10.652 -7.142 1.00 0.00 O ATOM 0 H GLU B 29 1.191 -10.488 -7.139 1.00 0.00 H new ATOM 0 HA GLU B 29 -0.775 -11.527 -5.199 1.00 0.00 H new ATOM 0 HB2 GLU B 29 1.334 -13.146 -4.799 1.00 0.00 H new ATOM 0 HB3 GLU B 29 0.136 -13.491 -6.031 1.00 0.00 H new ATOM 0 HG2 GLU B 29 2.465 -13.779 -6.843 1.00 0.00 H new ATOM 0 HG3 GLU B 29 1.561 -12.605 -7.779 1.00 0.00 H new ATOM 811 N ARG B 30 1.504 -9.513 -4.586 1.00 0.00 N ATOM 812 CA ARG B 30 2.241 -8.827 -3.532 1.00 0.00 C ATOM 813 C ARG B 30 2.262 -7.320 -3.712 1.00 0.00 C ATOM 814 O ARG B 30 2.003 -6.804 -4.788 1.00 0.00 O ATOM 815 CB ARG B 30 3.684 -9.354 -3.471 1.00 0.00 C ATOM 816 CG ARG B 30 4.548 -8.943 -4.659 1.00 0.00 C ATOM 817 CD ARG B 30 5.926 -9.589 -4.602 1.00 0.00 C ATOM 818 NE ARG B 30 6.843 -9.038 -5.606 1.00 0.00 N ATOM 819 CZ ARG B 30 8.117 -8.721 -5.362 1.00 0.00 C ATOM 820 NH1 ARG B 30 8.622 -8.886 -4.145 1.00 0.00 N ATOM 821 NH2 ARG B 30 8.883 -8.234 -6.330 1.00 0.00 N ATOM 0 H ARG B 30 1.430 -9.007 -5.469 1.00 0.00 H new ATOM 0 HA ARG B 30 1.720 -9.036 -2.597 1.00 0.00 H new ATOM 0 HB2 ARG B 30 4.152 -8.996 -2.554 1.00 0.00 H new ATOM 0 HB3 ARG B 30 3.660 -10.442 -3.412 1.00 0.00 H new ATOM 0 HG2 ARG B 30 4.051 -9.227 -5.586 1.00 0.00 H new ATOM 0 HG3 ARG B 30 4.655 -7.858 -4.674 1.00 0.00 H new ATOM 0 HD2 ARG B 30 6.351 -9.446 -3.608 1.00 0.00 H new ATOM 0 HD3 ARG B 30 5.827 -10.664 -4.755 1.00 0.00 H new ATOM 0 HE ARG B 30 6.485 -8.888 -6.549 1.00 0.00 H new ATOM 0 HH11 ARG B 30 8.037 -9.255 -3.396 1.00 0.00 H new ATOM 0 HH12 ARG B 30 9.595 -8.644 -3.960 1.00 0.00 H new ATOM 0 HH21 ARG B 30 8.499 -8.100 -7.266 1.00 0.00 H new ATOM 0 HH22 ARG B 30 9.856 -7.993 -6.138 1.00 0.00 H new ATOM 835 N ILE B 31 2.553 -6.621 -2.633 1.00 0.00 N ATOM 836 CA ILE B 31 2.662 -5.177 -2.661 1.00 0.00 C ATOM 837 C ILE B 31 4.121 -4.811 -2.421 1.00 0.00 C ATOM 838 O ILE B 31 4.829 -5.537 -1.717 1.00 0.00 O ATOM 839 CB ILE B 31 1.750 -4.505 -1.604 1.00 0.00 C ATOM 840 CG1 ILE B 31 1.750 -2.987 -1.779 1.00 0.00 C ATOM 841 CG2 ILE B 31 2.183 -4.878 -0.193 1.00 0.00 C ATOM 842 CD1 ILE B 31 0.778 -2.270 -0.866 1.00 0.00 C ATOM 0 H ILE B 31 2.720 -7.036 -1.716 1.00 0.00 H new ATOM 0 HA ILE B 31 2.330 -4.812 -3.633 1.00 0.00 H new ATOM 0 HB ILE B 31 0.735 -4.871 -1.755 1.00 0.00 H new ATOM 0 HG12 ILE B 31 2.755 -2.609 -1.594 1.00 0.00 H new ATOM 0 HG13 ILE B 31 1.505 -2.749 -2.814 1.00 0.00 H new ATOM 0 HG21 ILE B 31 1.526 -4.393 0.529 1.00 0.00 H new ATOM 0 HG22 ILE B 31 2.124 -5.959 -0.068 1.00 0.00 H new ATOM 0 HG23 ILE B 31 3.209 -4.549 -0.028 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.834 -1.196 -1.047 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -0.235 -2.620 -1.066 1.00 0.00 H new ATOM 0 HD13 ILE B 31 1.035 -2.477 0.173 1.00 0.00 H new ATOM 854 N ALA B 32 4.594 -3.734 -3.023 1.00 0.00 N ATOM 855 CA ALA B 32 5.978 -3.338 -2.841 1.00 0.00 C ATOM 856 C ALA B 32 6.145 -1.830 -2.876 1.00 0.00 C ATOM 857 O ALA B 32 5.336 -1.112 -3.464 1.00 0.00 O ATOM 858 CB ALA B 32 6.853 -3.995 -3.893 1.00 0.00 C ATOM 0 H ALA B 32 4.049 -3.126 -3.634 1.00 0.00 H new ATOM 0 HA ALA B 32 6.292 -3.676 -1.853 1.00 0.00 H new ATOM 0 HB1 ALA B 32 7.889 -3.690 -3.746 1.00 0.00 H new ATOM 0 HB2 ALA B 32 6.777 -5.079 -3.804 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.522 -3.688 -4.885 1.00 0.00 H new ATOM 864 N TRP B 33 7.200 -1.360 -2.239 1.00 0.00 N ATOM 865 CA TRP B 33 7.493 0.055 -2.185 1.00 0.00 C ATOM 866 C TRP B 33 8.977 0.287 -2.463 1.00 0.00 C ATOM 867 O TRP B 33 9.829 -0.492 -2.026 1.00 0.00 O ATOM 868 CB TRP B 33 7.093 0.624 -0.822 1.00 0.00 C ATOM 869 CG TRP B 33 7.226 2.109 -0.753 1.00 0.00 C ATOM 870 CD1 TRP B 33 6.261 3.037 -1.017 1.00 0.00 C ATOM 871 CD2 TRP B 33 8.403 2.837 -0.415 1.00 0.00 C ATOM 872 NE1 TRP B 33 6.775 4.299 -0.868 1.00 0.00 N ATOM 873 CE2 TRP B 33 8.087 4.199 -0.499 1.00 0.00 C ATOM 874 CE3 TRP B 33 9.697 2.467 -0.051 1.00 0.00 C ATOM 875 CZ2 TRP B 33 9.015 5.190 -0.237 1.00 0.00 C ATOM 876 CZ3 TRP B 33 10.618 3.453 0.213 1.00 0.00 C ATOM 877 CH2 TRP B 33 10.276 4.805 0.117 1.00 0.00 C ATOM 0 H TRP B 33 7.874 -1.947 -1.747 1.00 0.00 H new ATOM 0 HA TRP B 33 6.915 0.573 -2.950 1.00 0.00 H new ATOM 0 HB2 TRP B 33 6.061 0.346 -0.606 1.00 0.00 H new ATOM 0 HB3 TRP B 33 7.714 0.172 -0.048 1.00 0.00 H new ATOM 0 HD1 TRP B 33 5.244 2.811 -1.301 1.00 0.00 H new ATOM 0 HE1 TRP B 33 6.262 5.170 -1.009 1.00 0.00 H new ATOM 0 HE3 TRP B 33 9.971 1.425 0.022 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 8.751 6.235 -0.310 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 11.622 3.178 0.499 1.00 0.00 H new ATOM 0 HH2 TRP B 33 11.022 5.558 0.326 1.00 0.00 H new ATOM 888 N ALA B 34 9.273 1.351 -3.198 1.00 0.00 N ATOM 889 CA ALA B 34 10.640 1.691 -3.565 1.00 0.00 C ATOM 890 C ALA B 34 10.822 3.199 -3.630 1.00 0.00 C ATOM 891 O ALA B 34 9.963 3.895 -4.169 1.00 0.00 O ATOM 892 CB ALA B 34 11.013 1.058 -4.898 1.00 0.00 C ATOM 0 H ALA B 34 8.573 2.001 -3.556 1.00 0.00 H new ATOM 0 HA ALA B 34 11.303 1.296 -2.796 1.00 0.00 H new ATOM 0 HB1 ALA B 34 12.039 1.325 -5.153 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.928 -0.026 -4.822 1.00 0.00 H new ATOM 0 HB3 ALA B 34 10.340 1.421 -5.674 1.00 0.00 H new ATOM 898 N PRO B 35 11.911 3.731 -3.051 1.00 0.00 N ATOM 899 CA PRO B 35 12.187 5.172 -3.076 1.00 0.00 C ATOM 900 C PRO B 35 12.278 5.695 -4.509 1.00 0.00 C ATOM 901 O PRO B 35 12.610 4.940 -5.431 1.00 0.00 O ATOM 902 CB PRO B 35 13.535 5.306 -2.359 1.00 0.00 C ATOM 903 CG PRO B 35 14.127 3.936 -2.372 1.00 0.00 C ATOM 904 CD PRO B 35 12.967 2.981 -2.355 1.00 0.00 C ATOM 0 HA PRO B 35 11.397 5.753 -2.600 1.00 0.00 H new ATOM 0 HB2 PRO B 35 14.183 6.019 -2.869 1.00 0.00 H new ATOM 0 HB3 PRO B 35 13.404 5.668 -1.339 1.00 0.00 H new ATOM 0 HG2 PRO B 35 14.743 3.786 -3.259 1.00 0.00 H new ATOM 0 HG3 PRO B 35 14.772 3.782 -1.507 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.204 2.049 -2.867 1.00 0.00 H new ATOM 0 HD3 PRO B 35 12.674 2.720 -1.338 1.00 0.00 H new ATOM 992 N PHE B 41 12.718 -2.621 -5.102 1.00 0.00 N ATOM 993 CA PHE B 41 11.745 -2.519 -4.032 1.00 0.00 C ATOM 994 C PHE B 41 12.414 -2.836 -2.707 1.00 0.00 C ATOM 995 O PHE B 41 12.968 -3.921 -2.526 1.00 0.00 O ATOM 996 CB PHE B 41 10.573 -3.474 -4.271 1.00 0.00 C ATOM 997 CG PHE B 41 10.073 -3.474 -5.689 1.00 0.00 C ATOM 998 CD1 PHE B 41 9.571 -2.318 -6.264 1.00 0.00 C ATOM 999 CD2 PHE B 41 10.107 -4.633 -6.445 1.00 0.00 C ATOM 1000 CE1 PHE B 41 9.116 -2.316 -7.569 1.00 0.00 C ATOM 1001 CE2 PHE B 41 9.652 -4.639 -7.749 1.00 0.00 C ATOM 1002 CZ PHE B 41 9.157 -3.479 -8.313 1.00 0.00 C ATOM 0 HA PHE B 41 11.355 -1.501 -4.008 1.00 0.00 H new ATOM 0 HB2 PHE B 41 10.879 -4.485 -4.003 1.00 0.00 H new ATOM 0 HB3 PHE B 41 9.753 -3.203 -3.606 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.535 -1.407 -5.685 1.00 0.00 H new ATOM 0 HD2 PHE B 41 10.494 -5.543 -6.010 1.00 0.00 H new ATOM 0 HE1 PHE B 41 8.729 -1.407 -8.006 1.00 0.00 H new ATOM 0 HE2 PHE B 41 9.683 -5.550 -8.328 1.00 0.00 H new ATOM 0 HZ PHE B 41 8.803 -3.482 -9.333 1.00 0.00 H new ATOM 1012 N THR B 42 12.380 -1.885 -1.796 1.00 0.00 N ATOM 1013 CA THR B 42 12.988 -2.057 -0.492 1.00 0.00 C ATOM 1014 C THR B 42 12.075 -2.858 0.416 1.00 0.00 C ATOM 1015 O THR B 42 12.525 -3.691 1.202 1.00 0.00 O ATOM 1016 CB THR B 42 13.273 -0.692 0.155 1.00 0.00 C ATOM 1017 OG1 THR B 42 12.251 0.242 -0.219 1.00 0.00 O ATOM 1018 CG2 THR B 42 14.626 -0.162 -0.276 1.00 0.00 C ATOM 0 H THR B 42 11.934 -0.978 -1.936 1.00 0.00 H new ATOM 0 HA THR B 42 13.927 -2.594 -0.626 1.00 0.00 H new ATOM 0 HB THR B 42 13.279 -0.819 1.238 1.00 0.00 H new ATOM 0 HG1 THR B 42 12.434 1.111 0.196 1.00 0.00 H new ATOM 0 HG21 THR B 42 14.805 0.805 0.195 1.00 0.00 H new ATOM 0 HG22 THR B 42 15.404 -0.863 0.027 1.00 0.00 H new ATOM 0 HG23 THR B 42 14.643 -0.046 -1.360 1.00 0.00 H new ATOM 1026 N ILE B 43 10.787 -2.611 0.274 1.00 0.00 N ATOM 1027 CA ILE B 43 9.783 -3.272 1.081 1.00 0.00 C ATOM 1028 C ILE B 43 8.758 -3.969 0.193 1.00 0.00 C ATOM 1029 O ILE B 43 8.321 -3.415 -0.815 1.00 0.00 O ATOM 1030 CB ILE B 43 9.088 -2.242 1.996 1.00 0.00 C ATOM 1031 CG1 ILE B 43 10.080 -1.716 3.033 1.00 0.00 C ATOM 1032 CG2 ILE B 43 7.867 -2.839 2.682 1.00 0.00 C ATOM 1033 CD1 ILE B 43 9.815 -0.289 3.448 1.00 0.00 C ATOM 0 H ILE B 43 10.409 -1.948 -0.403 1.00 0.00 H new ATOM 0 HA ILE B 43 10.269 -4.027 1.700 1.00 0.00 H new ATOM 0 HB ILE B 43 8.744 -1.414 1.376 1.00 0.00 H new ATOM 0 HG12 ILE B 43 10.045 -2.355 3.915 1.00 0.00 H new ATOM 0 HG13 ILE B 43 11.089 -1.787 2.628 1.00 0.00 H new ATOM 0 HG21 ILE B 43 7.403 -2.086 3.318 1.00 0.00 H new ATOM 0 HG22 ILE B 43 7.151 -3.169 1.929 1.00 0.00 H new ATOM 0 HG23 ILE B 43 8.172 -3.690 3.291 1.00 0.00 H new ATOM 0 HD11 ILE B 43 10.556 0.019 4.185 1.00 0.00 H new ATOM 0 HD12 ILE B 43 9.879 0.361 2.576 1.00 0.00 H new ATOM 0 HD13 ILE B 43 8.818 -0.216 3.883 1.00 0.00 H new ATOM 1045 N SER B 44 8.409 -5.193 0.555 1.00 0.00 N ATOM 1046 CA SER B 44 7.438 -5.971 -0.187 1.00 0.00 C ATOM 1047 C SER B 44 6.663 -6.859 0.779 1.00 0.00 C ATOM 1048 O SER B 44 7.247 -7.438 1.696 1.00 0.00 O ATOM 1049 CB SER B 44 8.142 -6.824 -1.243 1.00 0.00 C ATOM 1050 OG SER B 44 7.207 -7.382 -2.152 1.00 0.00 O ATOM 0 H SER B 44 8.792 -5.672 1.370 1.00 0.00 H new ATOM 0 HA SER B 44 6.745 -5.299 -0.694 1.00 0.00 H new ATOM 0 HB2 SER B 44 8.863 -6.214 -1.787 1.00 0.00 H new ATOM 0 HB3 SER B 44 8.702 -7.622 -0.756 1.00 0.00 H new ATOM 0 HG SER B 44 6.370 -6.873 -2.114 1.00 0.00 H new ATOM 1056 N HIS B 45 5.358 -6.970 0.580 1.00 0.00 N ATOM 1057 CA HIS B 45 4.523 -7.778 1.446 1.00 0.00 C ATOM 1058 C HIS B 45 3.527 -8.549 0.606 1.00 0.00 C ATOM 1059 O HIS B 45 2.736 -7.957 -0.128 1.00 0.00 O ATOM 1060 CB HIS B 45 3.761 -6.910 2.463 1.00 0.00 C ATOM 1061 CG HIS B 45 4.628 -6.136 3.414 1.00 0.00 C ATOM 1062 ND1 HIS B 45 5.390 -6.711 4.408 1.00 0.00 N ATOM 1063 CD2 HIS B 45 4.830 -4.796 3.519 1.00 0.00 C ATOM 1064 CE1 HIS B 45 6.015 -5.727 5.069 1.00 0.00 C ATOM 1065 NE2 HIS B 45 5.708 -4.547 4.567 1.00 0.00 N ATOM 0 H HIS B 45 4.856 -6.507 -0.178 1.00 0.00 H new ATOM 0 HA HIS B 45 5.168 -8.463 1.996 1.00 0.00 H new ATOM 0 HB2 HIS B 45 3.130 -6.208 1.918 1.00 0.00 H new ATOM 0 HB3 HIS B 45 3.097 -7.553 3.041 1.00 0.00 H new ATOM 0 HD1 HIS B 45 5.465 -7.709 4.606 1.00 0.00 H new ATOM 0 HD2 HIS B 45 4.380 -4.044 2.888 1.00 0.00 H new ATOM 0 HE1 HIS B 45 6.683 -5.880 5.904 1.00 0.00 H new ATOM 1073 N MET B 46 3.589 -9.863 0.675 1.00 0.00 N ATOM 1074 CA MET B 46 2.656 -10.682 -0.064 1.00 0.00 C ATOM 1075 C MET B 46 1.300 -10.595 0.606 1.00 0.00 C ATOM 1076 O MET B 46 1.219 -10.530 1.830 1.00 0.00 O ATOM 1077 CB MET B 46 3.129 -12.133 -0.138 1.00 0.00 C ATOM 1078 CG MET B 46 3.996 -12.427 -1.351 1.00 0.00 C ATOM 1079 SD MET B 46 4.386 -14.177 -1.523 1.00 0.00 S ATOM 1080 CE MET B 46 5.038 -14.208 -3.192 1.00 0.00 C ATOM 0 H MET B 46 4.270 -10.381 1.230 1.00 0.00 H new ATOM 0 HA MET B 46 2.588 -10.314 -1.088 1.00 0.00 H new ATOM 0 HB2 MET B 46 3.690 -12.370 0.766 1.00 0.00 H new ATOM 0 HB3 MET B 46 2.259 -12.790 -0.155 1.00 0.00 H new ATOM 0 HG2 MET B 46 3.484 -12.084 -2.250 1.00 0.00 H new ATOM 0 HG3 MET B 46 4.923 -11.859 -1.276 1.00 0.00 H new ATOM 0 HE1 MET B 46 5.327 -15.227 -3.451 1.00 0.00 H new ATOM 0 HE2 MET B 46 4.275 -13.859 -3.887 1.00 0.00 H new ATOM 0 HE3 MET B 46 5.910 -13.557 -3.254 1.00 0.00 H new ATOM 1090 N TYR B 47 0.244 -10.561 -0.188 1.00 0.00 N ATOM 1091 CA TYR B 47 -1.119 -10.476 0.347 1.00 0.00 C ATOM 1092 C TYR B 47 -1.444 -11.646 1.278 1.00 0.00 C ATOM 1093 O TYR B 47 -2.427 -11.607 2.012 1.00 0.00 O ATOM 1094 CB TYR B 47 -2.141 -10.390 -0.785 1.00 0.00 C ATOM 1095 CG TYR B 47 -1.859 -9.266 -1.751 1.00 0.00 C ATOM 1096 CD1 TYR B 47 -1.522 -8.000 -1.291 1.00 0.00 C ATOM 1097 CD2 TYR B 47 -1.916 -9.472 -3.121 1.00 0.00 C ATOM 1098 CE1 TYR B 47 -1.249 -6.973 -2.168 1.00 0.00 C ATOM 1099 CE2 TYR B 47 -1.641 -8.449 -4.005 1.00 0.00 C ATOM 1100 CZ TYR B 47 -1.309 -7.202 -3.524 1.00 0.00 C ATOM 1101 OH TYR B 47 -1.035 -6.182 -4.405 1.00 0.00 O ATOM 0 H TYR B 47 0.296 -10.591 -1.206 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.176 -9.563 0.940 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.153 -11.335 -1.329 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.135 -10.255 -0.360 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -1.473 -7.817 -0.228 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -2.180 -10.448 -3.502 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -0.989 -5.994 -1.794 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.686 -8.625 -5.070 1.00 0.00 H new ATOM 0 HH TYR B 47 -0.574 -6.543 -5.191 1.00 0.00 H new ATOM 1111 N ALA B 48 -0.606 -12.677 1.254 1.00 0.00 N ATOM 1112 CA ALA B 48 -0.792 -13.838 2.115 1.00 0.00 C ATOM 1113 C ALA B 48 -0.169 -13.588 3.479 1.00 0.00 C ATOM 1114 O ALA B 48 -0.212 -14.441 4.368 1.00 0.00 O ATOM 1115 CB ALA B 48 -0.195 -15.081 1.483 1.00 0.00 C ATOM 0 H ALA B 48 0.211 -12.732 0.645 1.00 0.00 H new ATOM 0 HA ALA B 48 -1.862 -14.001 2.242 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -0.346 -15.934 2.144 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.682 -15.272 0.527 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.873 -14.931 1.323 1.00 0.00 H new ATOM 1121 N ASP B 49 0.445 -12.423 3.617 1.00 0.00 N ATOM 1122 CA ASP B 49 1.065 -12.019 4.865 1.00 0.00 C ATOM 1123 C ASP B 49 0.381 -10.772 5.385 1.00 0.00 C ATOM 1124 O ASP B 49 0.784 -10.194 6.390 1.00 0.00 O ATOM 1125 CB ASP B 49 2.565 -11.783 4.689 1.00 0.00 C ATOM 1126 CG ASP B 49 3.351 -13.047 4.947 1.00 0.00 C ATOM 1127 OD1 ASP B 49 3.594 -13.367 6.132 1.00 0.00 O ATOM 1128 OD2 ASP B 49 3.670 -13.762 3.977 1.00 0.00 O ATOM 0 H ASP B 49 0.526 -11.735 2.869 1.00 0.00 H new ATOM 0 HA ASP B 49 0.947 -12.823 5.591 1.00 0.00 H new ATOM 0 HB2 ASP B 49 2.764 -11.428 3.678 1.00 0.00 H new ATOM 0 HB3 ASP B 49 2.895 -11.000 5.372 1.00 0.00 H new ATOM 1133 N ILE B 50 -0.675 -10.379 4.693 1.00 0.00 N ATOM 1134 CA ILE B 50 -1.456 -9.222 5.074 1.00 0.00 C ATOM 1135 C ILE B 50 -2.703 -9.689 5.802 1.00 0.00 C ATOM 1136 O ILE B 50 -3.537 -10.386 5.226 1.00 0.00 O ATOM 1137 CB ILE B 50 -1.898 -8.391 3.859 1.00 0.00 C ATOM 1138 CG1 ILE B 50 -0.748 -8.180 2.869 1.00 0.00 C ATOM 1139 CG2 ILE B 50 -2.474 -7.057 4.311 1.00 0.00 C ATOM 1140 CD1 ILE B 50 0.321 -7.225 3.349 1.00 0.00 C ATOM 0 H ILE B 50 -1.011 -10.853 3.855 1.00 0.00 H new ATOM 0 HA ILE B 50 -0.827 -8.597 5.708 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.676 -8.950 3.339 1.00 0.00 H new ATOM 0 HG12 ILE B 50 -0.287 -9.144 2.655 1.00 0.00 H new ATOM 0 HG13 ILE B 50 -1.157 -7.807 1.930 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -2.783 -6.480 3.439 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -3.337 -7.232 4.954 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -1.716 -6.502 4.864 1.00 0.00 H new ATOM 0 HD11 ILE B 50 1.096 -7.134 2.588 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -0.122 -6.247 3.535 1.00 0.00 H new ATOM 0 HD13 ILE B 50 0.761 -7.605 4.271 1.00 0.00 H new ATOM 1152 N LYS B 51 -2.828 -9.312 7.056 1.00 0.00 N ATOM 1153 CA LYS B 51 -3.974 -9.711 7.848 1.00 0.00 C ATOM 1154 C LYS B 51 -5.153 -8.778 7.582 1.00 0.00 C ATOM 1155 O LYS B 51 -6.262 -9.230 7.313 1.00 0.00 O ATOM 1156 CB LYS B 51 -3.594 -9.723 9.330 1.00 0.00 C ATOM 1157 CG LYS B 51 -4.722 -10.117 10.258 1.00 0.00 C ATOM 1158 CD LYS B 51 -5.360 -8.894 10.875 1.00 0.00 C ATOM 1159 CE LYS B 51 -6.866 -9.053 11.012 1.00 0.00 C ATOM 1160 NZ LYS B 51 -7.496 -9.573 9.763 1.00 0.00 N ATOM 0 H LYS B 51 -2.151 -8.730 7.550 1.00 0.00 H new ATOM 0 HA LYS B 51 -4.280 -10.718 7.564 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -2.762 -10.413 9.474 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -3.238 -8.732 9.610 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -5.471 -10.685 9.706 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -4.342 -10.770 11.044 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -4.923 -8.712 11.857 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -5.141 -8.020 10.261 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -7.084 -9.732 11.836 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -7.309 -8.090 11.266 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -8.283 -8.952 9.487 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -6.789 -9.595 9.001 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -7.855 -10.535 9.930 1.00 0.00 H new ATOM 1174 N CYS B 52 -4.911 -7.477 7.660 1.00 0.00 N ATOM 1175 CA CYS B 52 -5.964 -6.493 7.413 1.00 0.00 C ATOM 1176 C CYS B 52 -5.389 -5.225 6.812 1.00 0.00 C ATOM 1177 O CYS B 52 -4.172 -5.063 6.723 1.00 0.00 O ATOM 1178 CB CYS B 52 -6.723 -6.142 8.700 1.00 0.00 C ATOM 1179 SG CYS B 52 -5.683 -5.713 10.110 1.00 0.00 S ATOM 0 H CYS B 52 -4.002 -7.077 7.891 1.00 0.00 H new ATOM 0 HA CYS B 52 -6.662 -6.945 6.708 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -7.390 -5.305 8.493 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -7.350 -6.990 8.976 1.00 0.00 H new ATOM 0 HG CYS B 52 -6.434 -5.435 11.134 1.00 0.00 H new ATOM 1185 N GLN B 53 -6.266 -4.318 6.411 1.00 0.00 N ATOM 1186 CA GLN B 53 -5.841 -3.063 5.837 1.00 0.00 C ATOM 1187 C GLN B 53 -6.661 -1.936 6.416 1.00 0.00 C ATOM 1188 O GLN B 53 -7.869 -2.068 6.616 1.00 0.00 O ATOM 1189 CB GLN B 53 -5.961 -3.069 4.309 1.00 0.00 C ATOM 1190 CG GLN B 53 -7.383 -3.124 3.771 1.00 0.00 C ATOM 1191 CD GLN B 53 -7.421 -3.004 2.259 1.00 0.00 C ATOM 1192 OE1 GLN B 53 -6.510 -3.457 1.568 1.00 0.00 O ATOM 1193 NE2 GLN B 53 -8.463 -2.385 1.731 1.00 0.00 N ATOM 0 H GLN B 53 -7.277 -4.433 6.475 1.00 0.00 H new ATOM 0 HA GLN B 53 -4.789 -2.918 6.085 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -5.476 -2.174 3.919 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -5.409 -3.925 3.921 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -7.849 -4.062 4.073 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -7.970 -2.319 4.214 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -9.200 -2.022 2.335 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -8.530 -2.271 0.720 1.00 0.00 H new ATOM 1202 N LYS B 54 -5.996 -0.850 6.732 1.00 0.00 N ATOM 1203 CA LYS B 54 -6.678 0.303 7.253 1.00 0.00 C ATOM 1204 C LYS B 54 -6.503 1.436 6.282 1.00 0.00 C ATOM 1205 O LYS B 54 -5.590 1.420 5.454 1.00 0.00 O ATOM 1206 CB LYS B 54 -6.123 0.804 8.573 1.00 0.00 C ATOM 1207 CG LYS B 54 -5.488 -0.186 9.516 1.00 0.00 C ATOM 1208 CD LYS B 54 -5.216 0.551 10.816 1.00 0.00 C ATOM 1209 CE LYS B 54 -5.418 -0.291 12.053 1.00 0.00 C ATOM 1210 NZ LYS B 54 -5.830 0.536 13.218 1.00 0.00 N ATOM 0 H LYS B 54 -4.986 -0.744 6.637 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.714 -0.002 7.403 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -5.380 1.570 8.349 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -6.936 1.295 9.108 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -6.149 -1.036 9.686 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.563 -0.581 9.095 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -4.191 0.921 10.804 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -5.869 1.422 10.871 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -6.177 -1.049 11.858 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -4.494 -0.819 12.289 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -6.354 -0.054 13.895 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -4.985 0.928 13.682 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -6.439 1.314 12.893 1.00 0.00 H new ATOM 1224 N ILE B 55 -7.338 2.441 6.415 1.00 0.00 N ATOM 1225 CA ILE B 55 -7.227 3.613 5.552 1.00 0.00 C ATOM 1226 C ILE B 55 -7.404 4.912 6.346 1.00 0.00 C ATOM 1227 O ILE B 55 -8.420 5.114 7.011 1.00 0.00 O ATOM 1228 CB ILE B 55 -8.203 3.561 4.350 1.00 0.00 C ATOM 1229 CG1 ILE B 55 -9.661 3.624 4.788 1.00 0.00 C ATOM 1230 CG2 ILE B 55 -7.975 2.296 3.539 1.00 0.00 C ATOM 1231 CD1 ILE B 55 -10.617 3.444 3.634 1.00 0.00 C ATOM 0 H ILE B 55 -8.094 2.479 7.099 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.217 3.599 5.142 1.00 0.00 H new ATOM 0 HB ILE B 55 -7.998 4.438 3.736 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -9.847 2.852 5.534 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -9.852 4.584 5.268 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -8.668 2.273 2.698 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -6.951 2.283 3.166 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -8.143 1.424 4.171 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.643 3.497 3.999 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -10.452 4.232 2.899 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -10.447 2.473 3.169 1.00 0.00 H new ATOM 1243 N SER B 56 -6.363 5.752 6.342 1.00 0.00 N ATOM 1244 CA SER B 56 -6.414 7.029 7.044 1.00 0.00 C ATOM 1245 C SER B 56 -7.101 8.076 6.197 1.00 0.00 C ATOM 1246 O SER B 56 -6.629 8.391 5.091 1.00 0.00 O ATOM 1247 CB SER B 56 -5.027 7.521 7.403 1.00 0.00 C ATOM 1248 OG SER B 56 -4.630 7.057 8.677 1.00 0.00 O ATOM 0 H SER B 56 -5.482 5.568 5.862 1.00 0.00 H new ATOM 0 HA SER B 56 -6.980 6.868 7.962 1.00 0.00 H new ATOM 0 HB2 SER B 56 -4.313 7.182 6.652 1.00 0.00 H new ATOM 0 HB3 SER B 56 -5.011 8.611 7.390 1.00 0.00 H new ATOM 0 HG SER B 56 -4.505 6.085 8.647 1.00 0.00 H new ATOM 1254 N PRO B 57 -8.162 8.675 6.767 1.00 0.00 N ATOM 1255 CA PRO B 57 -9.005 9.673 6.099 1.00 0.00 C ATOM 1256 C PRO B 57 -8.252 10.906 5.614 1.00 0.00 C ATOM 1257 O PRO B 57 -7.261 11.332 6.219 1.00 0.00 O ATOM 1258 CB PRO B 57 -9.997 10.101 7.186 1.00 0.00 C ATOM 1259 CG PRO B 57 -9.357 9.705 8.468 1.00 0.00 C ATOM 1260 CD PRO B 57 -8.594 8.455 8.158 1.00 0.00 C ATOM 0 HA PRO B 57 -9.451 9.241 5.203 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -10.181 11.175 7.152 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -10.961 9.608 7.057 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -8.695 10.489 8.836 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -10.103 9.529 9.242 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -7.745 8.322 8.829 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.218 7.566 8.252 1.00 0.00 H new ATOM 1268 N GLU B 58 -8.741 11.476 4.527 1.00 0.00 N ATOM 1269 CA GLU B 58 -8.165 12.681 3.966 1.00 0.00 C ATOM 1270 C GLU B 58 -8.649 13.887 4.760 1.00 0.00 C ATOM 1271 O GLU B 58 -9.850 14.120 4.892 1.00 0.00 O ATOM 1272 CB GLU B 58 -8.525 12.834 2.480 1.00 0.00 C ATOM 1273 CG GLU B 58 -9.797 12.108 2.058 1.00 0.00 C ATOM 1274 CD GLU B 58 -9.578 10.622 1.856 1.00 0.00 C ATOM 1275 OE1 GLU B 58 -9.000 10.236 0.820 1.00 0.00 O ATOM 1276 OE2 GLU B 58 -9.973 9.839 2.743 1.00 0.00 O ATOM 0 H GLU B 58 -9.545 11.117 4.012 1.00 0.00 H new ATOM 0 HA GLU B 58 -7.079 12.613 4.033 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -8.635 13.895 2.254 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -7.695 12.464 1.878 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -10.566 12.259 2.816 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -10.171 12.546 1.133 1.00 0.00 H new ATOM 1283 N GLY B 59 -7.706 14.639 5.295 1.00 0.00 N ATOM 1284 CA GLY B 59 -8.039 15.801 6.093 1.00 0.00 C ATOM 1285 C GLY B 59 -6.906 16.158 7.023 1.00 0.00 C ATOM 1286 O GLY B 59 -6.805 17.286 7.502 1.00 0.00 O ATOM 0 H GLY B 59 -6.706 14.466 5.191 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -8.258 16.645 5.439 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -8.941 15.603 6.672 1.00 0.00 H new ATOM 1290 N LYS B 60 -6.055 15.175 7.286 1.00 0.00 N ATOM 1291 CA LYS B 60 -4.895 15.373 8.137 1.00 0.00 C ATOM 1292 C LYS B 60 -3.784 16.032 7.330 1.00 0.00 C ATOM 1293 O LYS B 60 -3.981 16.391 6.171 1.00 0.00 O ATOM 1294 CB LYS B 60 -4.399 14.031 8.688 1.00 0.00 C ATOM 1295 CG LYS B 60 -5.363 13.362 9.654 1.00 0.00 C ATOM 1296 CD LYS B 60 -4.795 13.316 11.064 1.00 0.00 C ATOM 1297 CE LYS B 60 -3.638 12.330 11.181 1.00 0.00 C ATOM 1298 NZ LYS B 60 -2.930 12.471 12.477 1.00 0.00 N ATOM 0 H LYS B 60 -6.150 14.228 6.919 1.00 0.00 H new ATOM 0 HA LYS B 60 -5.176 16.013 8.973 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -4.210 13.355 7.854 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -3.446 14.188 9.193 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -6.309 13.903 9.659 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -5.577 12.349 9.313 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -4.454 14.311 11.350 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -5.583 13.036 11.763 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -4.015 11.312 11.080 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -2.936 12.492 10.363 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -1.910 12.582 12.305 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -3.289 13.307 12.980 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -3.093 11.623 13.056 1.00 0.00 H new ATOM 1312 N ALA B 61 -2.610 16.168 7.936 1.00 0.00 N ATOM 1313 CA ALA B 61 -1.469 16.762 7.250 1.00 0.00 C ATOM 1314 C ALA B 61 -0.946 15.802 6.189 1.00 0.00 C ATOM 1315 O ALA B 61 -0.111 16.160 5.360 1.00 0.00 O ATOM 1316 CB ALA B 61 -0.375 17.112 8.245 1.00 0.00 C ATOM 0 H ALA B 61 -2.424 15.877 8.896 1.00 0.00 H new ATOM 0 HA ALA B 61 -1.789 17.682 6.761 1.00 0.00 H new ATOM 0 HB1 ALA B 61 0.469 17.554 7.717 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -0.761 17.825 8.974 1.00 0.00 H new ATOM 0 HB3 ALA B 61 -0.048 16.208 8.759 1.00 0.00 H new ATOM 1322 N LYS B 62 -1.451 14.575 6.239 1.00 0.00 N ATOM 1323 CA LYS B 62 -1.075 13.537 5.300 1.00 0.00 C ATOM 1324 C LYS B 62 -2.190 12.489 5.204 1.00 0.00 C ATOM 1325 O LYS B 62 -2.947 12.289 6.160 1.00 0.00 O ATOM 1326 CB LYS B 62 0.260 12.884 5.709 1.00 0.00 C ATOM 1327 CG LYS B 62 0.570 12.923 7.206 1.00 0.00 C ATOM 1328 CD LYS B 62 1.670 11.929 7.583 1.00 0.00 C ATOM 1329 CE LYS B 62 2.060 12.052 9.051 1.00 0.00 C ATOM 1330 NZ LYS B 62 2.654 10.797 9.601 1.00 0.00 N ATOM 0 H LYS B 62 -2.134 14.276 6.935 1.00 0.00 H new ATOM 0 HA LYS B 62 -0.936 13.988 4.318 1.00 0.00 H new ATOM 0 HB2 LYS B 62 0.253 11.844 5.382 1.00 0.00 H new ATOM 0 HB3 LYS B 62 1.069 13.381 5.173 1.00 0.00 H new ATOM 0 HG2 LYS B 62 0.878 13.930 7.488 1.00 0.00 H new ATOM 0 HG3 LYS B 62 -0.334 12.696 7.771 1.00 0.00 H new ATOM 0 HD2 LYS B 62 1.328 10.914 7.381 1.00 0.00 H new ATOM 0 HD3 LYS B 62 2.546 12.101 6.958 1.00 0.00 H new ATOM 0 HE2 LYS B 62 2.775 12.867 9.165 1.00 0.00 H new ATOM 0 HE3 LYS B 62 1.179 12.317 9.635 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 2.497 10.760 10.628 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 2.203 9.974 9.152 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 3.675 10.782 9.406 1.00 0.00 H new ATOM 1344 N ILE B 63 -2.303 11.856 4.040 1.00 0.00 N ATOM 1345 CA ILE B 63 -3.308 10.817 3.795 1.00 0.00 C ATOM 1346 C ILE B 63 -2.607 9.461 3.815 1.00 0.00 C ATOM 1347 O ILE B 63 -1.506 9.343 3.272 1.00 0.00 O ATOM 1348 CB ILE B 63 -4.014 11.045 2.431 1.00 0.00 C ATOM 1349 CG1 ILE B 63 -4.807 12.356 2.450 1.00 0.00 C ATOM 1350 CG2 ILE B 63 -4.932 9.884 2.078 1.00 0.00 C ATOM 1351 CD1 ILE B 63 -4.014 13.566 2.000 1.00 0.00 C ATOM 0 H ILE B 63 -1.702 12.046 3.238 1.00 0.00 H new ATOM 0 HA ILE B 63 -4.074 10.853 4.570 1.00 0.00 H new ATOM 0 HB ILE B 63 -3.240 11.108 1.666 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -5.681 12.249 1.808 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -5.174 12.531 3.461 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -5.410 10.077 1.117 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -4.349 8.965 2.015 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -5.696 9.777 2.848 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -4.647 14.452 2.043 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -3.154 13.702 2.656 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -3.669 13.415 0.977 1.00 0.00 H new ATOM 1363 N GLN B 64 -3.204 8.424 4.420 1.00 0.00 N ATOM 1364 CA GLN B 64 -2.483 7.145 4.497 1.00 0.00 C ATOM 1365 C GLN B 64 -3.331 5.904 4.244 1.00 0.00 C ATOM 1366 O GLN B 64 -4.557 5.917 4.306 1.00 0.00 O ATOM 1367 CB GLN B 64 -1.799 6.959 5.862 1.00 0.00 C ATOM 1368 CG GLN B 64 -0.760 8.001 6.217 1.00 0.00 C ATOM 1369 CD GLN B 64 -1.356 9.247 6.831 1.00 0.00 C ATOM 1370 OE1 GLN B 64 -0.816 10.323 6.681 1.00 0.00 O ATOM 1371 NE2 GLN B 64 -2.460 9.111 7.548 1.00 0.00 N ATOM 0 H GLN B 64 -4.133 8.438 4.842 1.00 0.00 H new ATOM 0 HA GLN B 64 -1.756 7.224 3.689 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -2.566 6.958 6.636 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -1.325 5.977 5.881 1.00 0.00 H new ATOM 0 HG2 GLN B 64 -0.042 7.567 6.914 1.00 0.00 H new ATOM 0 HG3 GLN B 64 -0.207 8.275 5.319 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -2.889 8.192 7.654 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -2.882 9.925 7.994 1.00 0.00 H new ATOM 1380 N LEU B 65 -2.605 4.824 3.975 1.00 0.00 N ATOM 1381 CA LEU B 65 -3.149 3.494 3.748 1.00 0.00 C ATOM 1382 C LEU B 65 -2.202 2.503 4.420 1.00 0.00 C ATOM 1383 O LEU B 65 -1.034 2.460 4.064 1.00 0.00 O ATOM 1384 CB LEU B 65 -3.185 3.182 2.264 1.00 0.00 C ATOM 1385 CG LEU B 65 -4.218 2.148 1.847 1.00 0.00 C ATOM 1386 CD1 LEU B 65 -5.516 2.816 1.467 1.00 0.00 C ATOM 1387 CD2 LEU B 65 -3.669 1.298 0.721 1.00 0.00 C ATOM 0 H LEU B 65 -1.588 4.854 3.907 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.162 3.432 4.147 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -3.378 4.106 1.719 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.199 2.832 1.958 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.431 1.491 2.691 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -6.242 2.059 1.172 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -5.901 3.375 2.320 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -5.344 3.498 0.634 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -4.414 0.559 0.427 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -3.431 1.934 -0.132 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -2.766 0.789 1.057 1.00 0.00 H new ATOM 1399 N GLN B 66 -2.655 1.708 5.374 1.00 0.00 N ATOM 1400 CA GLN B 66 -1.724 0.802 6.039 1.00 0.00 C ATOM 1401 C GLN B 66 -2.178 -0.640 6.001 1.00 0.00 C ATOM 1402 O GLN B 66 -3.373 -0.939 5.981 1.00 0.00 O ATOM 1403 CB GLN B 66 -1.463 1.226 7.490 1.00 0.00 C ATOM 1404 CG GLN B 66 -2.403 0.613 8.508 1.00 0.00 C ATOM 1405 CD GLN B 66 -1.858 0.687 9.920 1.00 0.00 C ATOM 1406 OE1 GLN B 66 -1.095 -0.174 10.344 1.00 0.00 O ATOM 1407 NE2 GLN B 66 -2.262 1.708 10.657 1.00 0.00 N ATOM 0 H GLN B 66 -3.621 1.667 5.699 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.793 0.870 5.476 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.440 0.959 7.754 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.536 2.312 7.556 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -3.364 1.126 8.466 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -2.586 -0.429 8.247 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -2.898 2.401 10.263 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -1.938 1.802 11.620 1.00 0.00 H new ATOM 1416 N LEU B 67 -1.200 -1.523 5.998 1.00 0.00 N ATOM 1417 CA LEU B 67 -1.446 -2.945 5.983 1.00 0.00 C ATOM 1418 C LEU B 67 -0.974 -3.566 7.281 1.00 0.00 C ATOM 1419 O LEU B 67 0.193 -3.442 7.654 1.00 0.00 O ATOM 1420 CB LEU B 67 -0.727 -3.597 4.805 1.00 0.00 C ATOM 1421 CG LEU B 67 -1.053 -2.995 3.444 1.00 0.00 C ATOM 1422 CD1 LEU B 67 -0.062 -3.479 2.402 1.00 0.00 C ATOM 1423 CD2 LEU B 67 -2.475 -3.343 3.033 1.00 0.00 C ATOM 0 H LEU B 67 -0.212 -1.271 6.006 1.00 0.00 H new ATOM 0 HA LEU B 67 -2.518 -3.111 5.875 1.00 0.00 H new ATOM 0 HB2 LEU B 67 0.348 -3.526 4.970 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -0.978 -4.658 4.787 1.00 0.00 H new ATOM 0 HG LEU B 67 -0.975 -1.910 3.517 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -0.308 -3.041 1.435 1.00 0.00 H new ATOM 0 HD12 LEU B 67 0.945 -3.179 2.691 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -0.111 -4.566 2.331 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -2.690 -2.904 2.058 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -2.582 -4.426 2.975 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -3.174 -2.948 3.770 1.00 0.00 H new ATOM 1435 N VAL B 68 -1.892 -4.203 7.974 1.00 0.00 N ATOM 1436 CA VAL B 68 -1.588 -4.869 9.224 1.00 0.00 C ATOM 1437 C VAL B 68 -1.354 -6.337 8.933 1.00 0.00 C ATOM 1438 O VAL B 68 -2.257 -7.030 8.472 1.00 0.00 O ATOM 1439 CB VAL B 68 -2.732 -4.718 10.247 1.00 0.00 C ATOM 1440 CG1 VAL B 68 -2.415 -5.456 11.540 1.00 0.00 C ATOM 1441 CG2 VAL B 68 -3.025 -3.248 10.517 1.00 0.00 C ATOM 0 H VAL B 68 -2.869 -4.275 7.689 1.00 0.00 H new ATOM 0 HA VAL B 68 -0.700 -4.411 9.660 1.00 0.00 H new ATOM 0 HB VAL B 68 -3.627 -5.169 9.818 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -3.240 -5.331 12.242 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -2.275 -6.516 11.329 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -1.503 -5.050 11.977 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -3.835 -3.166 11.241 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -2.132 -2.766 10.915 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -3.318 -2.759 9.588 1.00 0.00 H new ATOM 1451 N LEU B 69 -0.146 -6.808 9.168 1.00 0.00 N ATOM 1452 CA LEU B 69 0.181 -8.192 8.888 1.00 0.00 C ATOM 1453 C LEU B 69 -0.181 -9.085 10.061 1.00 0.00 C ATOM 1454 O LEU B 69 -0.197 -8.633 11.205 1.00 0.00 O ATOM 1455 CB LEU B 69 1.662 -8.353 8.564 1.00 0.00 C ATOM 1456 CG LEU B 69 2.307 -7.184 7.825 1.00 0.00 C ATOM 1457 CD1 LEU B 69 3.757 -7.501 7.497 1.00 0.00 C ATOM 1458 CD2 LEU B 69 1.544 -6.850 6.556 1.00 0.00 C ATOM 0 H LEU B 69 0.622 -6.256 9.550 1.00 0.00 H new ATOM 0 HA LEU B 69 -0.404 -8.493 8.019 1.00 0.00 H new ATOM 0 HB2 LEU B 69 2.204 -8.514 9.496 1.00 0.00 H new ATOM 0 HB3 LEU B 69 1.788 -9.253 7.963 1.00 0.00 H new ATOM 0 HG LEU B 69 2.274 -6.313 8.480 1.00 0.00 H new ATOM 0 HD11 LEU B 69 4.204 -6.658 6.970 1.00 0.00 H new ATOM 0 HD12 LEU B 69 4.307 -7.685 8.420 1.00 0.00 H new ATOM 0 HD13 LEU B 69 3.802 -8.388 6.865 1.00 0.00 H new ATOM 0 HD21 LEU B 69 2.027 -6.013 6.051 1.00 0.00 H new ATOM 0 HD22 LEU B 69 1.538 -7.718 5.896 1.00 0.00 H new ATOM 0 HD23 LEU B 69 0.519 -6.579 6.809 1.00 0.00 H new ATOM 1470 N HIS B 70 -0.462 -10.355 9.776 1.00 0.00 N ATOM 1471 CA HIS B 70 -0.808 -11.313 10.834 1.00 0.00 C ATOM 1472 C HIS B 70 0.375 -11.497 11.782 1.00 0.00 C ATOM 1473 O HIS B 70 0.216 -11.957 12.911 1.00 0.00 O ATOM 1474 CB HIS B 70 -1.211 -12.699 10.290 1.00 0.00 C ATOM 1475 CG HIS B 70 -1.663 -12.755 8.856 1.00 0.00 C ATOM 1476 ND1 HIS B 70 -0.978 -12.493 7.721 1.00 0.00 N flip ATOM 1477 CD2 HIS B 70 -2.909 -13.190 8.450 1.00 0.00 C flip ATOM 1478 CE1 HIS B 70 -1.778 -12.773 6.622 1.00 0.00 C flip ATOM 1479 NE2 HIS B 70 -2.926 -13.190 7.109 1.00 0.00 N flip ATOM 0 H HIS B 70 -0.458 -10.745 8.834 1.00 0.00 H new ATOM 0 HA HIS B 70 -1.669 -10.892 11.354 1.00 0.00 H new ATOM 0 HB2 HIS B 70 -0.360 -13.371 10.405 1.00 0.00 H new ATOM 0 HB3 HIS B 70 -2.013 -13.090 10.916 1.00 0.00 H new ATOM 0 HD2 HIS B 70 -3.724 -13.479 9.097 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -1.512 -12.670 5.580 1.00 0.00 H new ATOM 0 HE2 HIS B 70 -3.724 -13.476 6.542 1.00 0.00 H new ATOM 1487 N ALA B 71 1.564 -11.133 11.310 1.00 0.00 N ATOM 1488 CA ALA B 71 2.782 -11.257 12.100 1.00 0.00 C ATOM 1489 C ALA B 71 2.880 -10.157 13.153 1.00 0.00 C ATOM 1490 O ALA B 71 3.736 -10.205 14.034 1.00 0.00 O ATOM 1491 CB ALA B 71 4.001 -11.227 11.189 1.00 0.00 C ATOM 0 H ALA B 71 1.709 -10.747 10.377 1.00 0.00 H new ATOM 0 HA ALA B 71 2.748 -12.213 12.622 1.00 0.00 H new ATOM 0 HB1 ALA B 71 4.906 -11.320 11.789 1.00 0.00 H new ATOM 0 HB2 ALA B 71 3.947 -12.055 10.482 1.00 0.00 H new ATOM 0 HB3 ALA B 71 4.024 -10.284 10.642 1.00 0.00 H new ATOM 1497 N GLY B 72 2.007 -9.161 13.053 1.00 0.00 N ATOM 1498 CA GLY B 72 2.016 -8.071 14.011 1.00 0.00 C ATOM 1499 C GLY B 72 2.682 -6.822 13.472 1.00 0.00 C ATOM 1500 O GLY B 72 2.705 -5.790 14.140 1.00 0.00 O ATOM 0 H GLY B 72 1.294 -9.089 12.327 1.00 0.00 H new ATOM 0 HA2 GLY B 72 0.991 -7.836 14.297 1.00 0.00 H new ATOM 0 HA3 GLY B 72 2.533 -8.392 14.915 1.00 0.00 H new ATOM 1504 N ASP B 73 3.221 -6.913 12.263 1.00 0.00 N ATOM 1505 CA ASP B 73 3.889 -5.771 11.641 1.00 0.00 C ATOM 1506 C ASP B 73 2.872 -4.905 10.907 1.00 0.00 C ATOM 1507 O ASP B 73 1.864 -5.410 10.409 1.00 0.00 O ATOM 1508 CB ASP B 73 4.983 -6.241 10.678 1.00 0.00 C ATOM 1509 CG ASP B 73 5.690 -5.085 9.993 1.00 0.00 C ATOM 1510 OD1 ASP B 73 6.139 -4.159 10.696 1.00 0.00 O ATOM 1511 OD2 ASP B 73 5.793 -5.094 8.750 1.00 0.00 O ATOM 0 H ASP B 73 3.210 -7.760 11.694 1.00 0.00 H new ATOM 0 HA ASP B 73 4.358 -5.176 12.425 1.00 0.00 H new ATOM 0 HB2 ASP B 73 5.714 -6.836 11.226 1.00 0.00 H new ATOM 0 HB3 ASP B 73 4.543 -6.892 9.923 1.00 0.00 H new ATOM 1516 N THR B 74 3.131 -3.607 10.846 1.00 0.00 N ATOM 1517 CA THR B 74 2.225 -2.681 10.189 1.00 0.00 C ATOM 1518 C THR B 74 2.978 -1.734 9.256 1.00 0.00 C ATOM 1519 O THR B 74 4.050 -1.231 9.597 1.00 0.00 O ATOM 1520 CB THR B 74 1.449 -1.857 11.236 1.00 0.00 C ATOM 1521 OG1 THR B 74 2.352 -1.375 12.240 1.00 0.00 O ATOM 1522 CG2 THR B 74 0.367 -2.696 11.898 1.00 0.00 C ATOM 0 H THR B 74 3.963 -3.172 11.245 1.00 0.00 H new ATOM 0 HA THR B 74 1.526 -3.270 9.595 1.00 0.00 H new ATOM 0 HB THR B 74 0.977 -1.018 10.725 1.00 0.00 H new ATOM 0 HG1 THR B 74 1.855 -0.851 12.902 1.00 0.00 H new ATOM 0 HG21 THR B 74 -0.165 -2.091 12.632 1.00 0.00 H new ATOM 0 HG22 THR B 74 -0.334 -3.048 11.141 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.824 -3.552 12.396 1.00 0.00 H new ATOM 1530 N THR B 75 2.429 -1.508 8.071 1.00 0.00 N ATOM 1531 CA THR B 75 3.045 -0.614 7.099 1.00 0.00 C ATOM 1532 C THR B 75 2.066 0.484 6.681 1.00 0.00 C ATOM 1533 O THR B 75 1.178 0.245 5.865 1.00 0.00 O ATOM 1534 CB THR B 75 3.506 -1.392 5.847 1.00 0.00 C ATOM 1535 OG1 THR B 75 4.243 -2.557 6.242 1.00 0.00 O ATOM 1536 CG2 THR B 75 4.371 -0.520 4.949 1.00 0.00 C ATOM 0 H THR B 75 1.556 -1.932 7.758 1.00 0.00 H new ATOM 0 HA THR B 75 3.915 -0.160 7.573 1.00 0.00 H new ATOM 0 HB THR B 75 2.620 -1.691 5.287 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.605 -3.001 5.446 1.00 0.00 H new ATOM 0 HG21 THR B 75 4.682 -1.093 4.075 1.00 0.00 H new ATOM 0 HG22 THR B 75 3.800 0.351 4.628 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.253 -0.192 5.500 1.00 0.00 H new ATOM 1544 N ASN B 76 2.213 1.682 7.252 1.00 0.00 N ATOM 1545 CA ASN B 76 1.328 2.794 6.916 1.00 0.00 C ATOM 1546 C ASN B 76 1.933 3.591 5.767 1.00 0.00 C ATOM 1547 O ASN B 76 3.010 4.171 5.899 1.00 0.00 O ATOM 1548 CB ASN B 76 1.050 3.741 8.115 1.00 0.00 C ATOM 1549 CG ASN B 76 1.091 3.087 9.495 1.00 0.00 C ATOM 1550 OD1 ASN B 76 1.915 2.219 9.772 1.00 0.00 O ATOM 1551 ND2 ASN B 76 0.209 3.530 10.384 1.00 0.00 N ATOM 0 H ASN B 76 2.930 1.903 7.943 1.00 0.00 H new ATOM 0 HA ASN B 76 0.370 2.362 6.628 1.00 0.00 H new ATOM 0 HB2 ASN B 76 1.781 4.549 8.094 1.00 0.00 H new ATOM 0 HB3 ASN B 76 0.069 4.195 7.977 1.00 0.00 H new ATOM 0 HD21 ASN B 76 0.202 3.148 11.330 1.00 0.00 H new ATOM 0 HD22 ASN B 76 -0.462 4.252 10.121 1.00 0.00 H new ATOM 1558 N PHE B 77 1.230 3.595 4.643 1.00 0.00 N ATOM 1559 CA PHE B 77 1.668 4.293 3.441 1.00 0.00 C ATOM 1560 C PHE B 77 1.176 5.731 3.436 1.00 0.00 C ATOM 1561 O PHE B 77 -0.026 5.983 3.458 1.00 0.00 O ATOM 1562 CB PHE B 77 1.177 3.564 2.190 1.00 0.00 C ATOM 1563 CG PHE B 77 2.031 2.385 1.824 1.00 0.00 C ATOM 1564 CD1 PHE B 77 3.300 2.576 1.309 1.00 0.00 C ATOM 1565 CD2 PHE B 77 1.568 1.091 1.998 1.00 0.00 C ATOM 1566 CE1 PHE B 77 4.096 1.499 0.973 1.00 0.00 C ATOM 1567 CE2 PHE B 77 2.360 0.009 1.662 1.00 0.00 C ATOM 1568 CZ PHE B 77 3.625 0.213 1.149 1.00 0.00 C ATOM 0 H PHE B 77 0.337 3.113 4.538 1.00 0.00 H new ATOM 0 HA PHE B 77 2.758 4.304 3.437 1.00 0.00 H new ATOM 0 HB2 PHE B 77 0.153 3.228 2.351 1.00 0.00 H new ATOM 0 HB3 PHE B 77 1.155 4.263 1.354 1.00 0.00 H new ATOM 0 HD1 PHE B 77 3.673 3.580 1.168 1.00 0.00 H new ATOM 0 HD2 PHE B 77 0.579 0.926 2.400 1.00 0.00 H new ATOM 0 HE1 PHE B 77 5.086 1.662 0.573 1.00 0.00 H new ATOM 0 HE2 PHE B 77 1.989 -0.996 1.801 1.00 0.00 H new ATOM 0 HZ PHE B 77 4.245 -0.631 0.886 1.00 0.00 H new ATOM 1578 N HIS B 78 2.116 6.656 3.399 1.00 0.00 N ATOM 1579 CA HIS B 78 1.826 8.080 3.410 1.00 0.00 C ATOM 1580 C HIS B 78 1.801 8.639 1.985 1.00 0.00 C ATOM 1581 O HIS B 78 2.840 8.793 1.349 1.00 0.00 O ATOM 1582 CB HIS B 78 2.898 8.768 4.277 1.00 0.00 C ATOM 1583 CG HIS B 78 2.992 10.265 4.173 1.00 0.00 C ATOM 1584 ND1 HIS B 78 4.058 10.982 4.667 1.00 0.00 N ATOM 1585 CD2 HIS B 78 2.161 11.176 3.605 1.00 0.00 C ATOM 1586 CE1 HIS B 78 3.853 12.274 4.390 1.00 0.00 C ATOM 1587 NE2 HIS B 78 2.717 12.447 3.744 1.00 0.00 N ATOM 0 H HIS B 78 3.112 6.440 3.360 1.00 0.00 H new ATOM 0 HA HIS B 78 0.839 8.269 3.832 1.00 0.00 H new ATOM 0 HB2 HIS B 78 2.709 8.511 5.319 1.00 0.00 H new ATOM 0 HB3 HIS B 78 3.869 8.347 4.015 1.00 0.00 H new ATOM 0 HD2 HIS B 78 1.221 10.952 3.123 1.00 0.00 H new ATOM 0 HE1 HIS B 78 4.530 13.071 4.660 1.00 0.00 H new ATOM 0 HE2 HIS B 78 2.325 13.329 3.414 1.00 0.00 H new ATOM 1595 N PHE B 79 0.612 8.934 1.477 1.00 0.00 N ATOM 1596 CA PHE B 79 0.485 9.499 0.140 1.00 0.00 C ATOM 1597 C PHE B 79 0.827 10.980 0.197 1.00 0.00 C ATOM 1598 O PHE B 79 0.064 11.777 0.744 1.00 0.00 O ATOM 1599 CB PHE B 79 -0.930 9.321 -0.417 1.00 0.00 C ATOM 1600 CG PHE B 79 -1.321 7.899 -0.698 1.00 0.00 C ATOM 1601 CD1 PHE B 79 -0.768 7.211 -1.764 1.00 0.00 C ATOM 1602 CD2 PHE B 79 -2.262 7.262 0.092 1.00 0.00 C ATOM 1603 CE1 PHE B 79 -1.145 5.909 -2.036 1.00 0.00 C ATOM 1604 CE2 PHE B 79 -2.647 5.964 -0.179 1.00 0.00 C ATOM 1605 CZ PHE B 79 -2.088 5.286 -1.243 1.00 0.00 C ATOM 0 H PHE B 79 -0.272 8.793 1.966 1.00 0.00 H new ATOM 0 HA PHE B 79 1.171 8.972 -0.523 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -1.641 9.745 0.292 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -1.018 9.896 -1.339 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -0.034 7.696 -2.390 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -2.700 7.786 0.929 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -0.703 5.380 -2.867 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -3.386 5.479 0.442 1.00 0.00 H new ATOM 0 HZ PHE B 79 -2.388 4.270 -1.455 1.00 0.00 H new ATOM 1615 N SER B 80 1.969 11.351 -0.356 1.00 0.00 N ATOM 1616 CA SER B 80 2.398 12.739 -0.329 1.00 0.00 C ATOM 1617 C SER B 80 2.128 13.448 -1.649 1.00 0.00 C ATOM 1618 O SER B 80 2.812 14.409 -2.002 1.00 0.00 O ATOM 1619 CB SER B 80 3.879 12.824 0.033 1.00 0.00 C ATOM 1620 OG SER B 80 4.582 11.673 -0.406 1.00 0.00 O ATOM 0 H SER B 80 2.613 10.715 -0.827 1.00 0.00 H new ATOM 0 HA SER B 80 1.812 13.250 0.435 1.00 0.00 H new ATOM 0 HB2 SER B 80 4.316 13.714 -0.419 1.00 0.00 H new ATOM 0 HB3 SER B 80 3.987 12.929 1.113 1.00 0.00 H new ATOM 0 HG SER B 80 4.367 11.497 -1.346 1.00 0.00 H new ATOM 1626 N ASN B 81 1.139 12.969 -2.385 1.00 0.00 N ATOM 1627 CA ASN B 81 0.780 13.597 -3.642 1.00 0.00 C ATOM 1628 C ASN B 81 -0.385 14.544 -3.363 1.00 0.00 C ATOM 1629 O ASN B 81 -1.459 14.115 -2.970 1.00 0.00 O ATOM 1630 CB ASN B 81 0.414 12.545 -4.687 1.00 0.00 C ATOM 1631 CG ASN B 81 0.765 12.988 -6.093 1.00 0.00 C ATOM 1632 OD1 ASN B 81 1.078 14.155 -6.336 1.00 0.00 O ATOM 1633 ND2 ASN B 81 0.712 12.058 -7.033 1.00 0.00 N ATOM 0 H ASN B 81 0.576 12.156 -2.136 1.00 0.00 H new ATOM 0 HA ASN B 81 1.622 14.157 -4.049 1.00 0.00 H new ATOM 0 HB2 ASN B 81 0.934 11.614 -4.461 1.00 0.00 H new ATOM 0 HB3 ASN B 81 -0.654 12.335 -4.630 1.00 0.00 H new ATOM 0 HD21 ASN B 81 0.935 12.296 -7.999 1.00 0.00 H new ATOM 0 HD22 ASN B 81 0.448 11.103 -6.791 1.00 0.00 H new ATOM 1640 N GLU B 82 -0.170 15.824 -3.588 1.00 0.00 N ATOM 1641 CA GLU B 82 -1.158 16.858 -3.263 1.00 0.00 C ATOM 1642 C GLU B 82 -2.513 16.631 -3.926 1.00 0.00 C ATOM 1643 O GLU B 82 -3.519 16.413 -3.253 1.00 0.00 O ATOM 1644 CB GLU B 82 -0.633 18.247 -3.657 1.00 0.00 C ATOM 1645 CG GLU B 82 0.830 18.497 -3.305 1.00 0.00 C ATOM 1646 CD GLU B 82 1.782 17.835 -4.281 1.00 0.00 C ATOM 1647 OE1 GLU B 82 1.328 17.407 -5.362 1.00 0.00 O ATOM 1648 OE2 GLU B 82 2.979 17.697 -3.963 1.00 0.00 O ATOM 0 H GLU B 82 0.690 16.187 -4.000 1.00 0.00 H new ATOM 0 HA GLU B 82 -1.308 16.799 -2.185 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -0.762 18.378 -4.731 1.00 0.00 H new ATOM 0 HB3 GLU B 82 -1.245 19.004 -3.168 1.00 0.00 H new ATOM 0 HG2 GLU B 82 1.019 19.570 -3.290 1.00 0.00 H new ATOM 0 HG3 GLU B 82 1.028 18.124 -2.300 1.00 0.00 H new ATOM 1655 N SER B 83 -2.536 16.668 -5.243 1.00 0.00 N ATOM 1656 CA SER B 83 -3.778 16.518 -5.984 1.00 0.00 C ATOM 1657 C SER B 83 -4.114 15.065 -6.296 1.00 0.00 C ATOM 1658 O SER B 83 -5.058 14.798 -7.047 1.00 0.00 O ATOM 1659 CB SER B 83 -3.688 17.309 -7.285 1.00 0.00 C ATOM 1660 OG SER B 83 -3.318 18.654 -7.034 1.00 0.00 O ATOM 0 H SER B 83 -1.709 16.801 -5.825 1.00 0.00 H new ATOM 0 HA SER B 83 -4.578 16.901 -5.351 1.00 0.00 H new ATOM 0 HB2 SER B 83 -2.958 16.844 -7.948 1.00 0.00 H new ATOM 0 HB3 SER B 83 -4.649 17.282 -7.799 1.00 0.00 H new ATOM 0 HG SER B 83 -3.265 19.142 -7.882 1.00 0.00 H new ATOM 1666 N THR B 84 -3.376 14.121 -5.736 1.00 0.00 N ATOM 1667 CA THR B 84 -3.633 12.732 -6.057 1.00 0.00 C ATOM 1668 C THR B 84 -3.738 11.803 -4.845 1.00 0.00 C ATOM 1669 O THR B 84 -4.338 10.742 -4.963 1.00 0.00 O ATOM 1670 CB THR B 84 -2.550 12.222 -7.013 1.00 0.00 C ATOM 1671 OG1 THR B 84 -1.821 13.337 -7.544 1.00 0.00 O ATOM 1672 CG2 THR B 84 -3.167 11.450 -8.155 1.00 0.00 C ATOM 0 H THR B 84 -2.616 14.285 -5.076 1.00 0.00 H new ATOM 0 HA THR B 84 -4.616 12.709 -6.526 1.00 0.00 H new ATOM 0 HB THR B 84 -1.882 11.562 -6.460 1.00 0.00 H new ATOM 0 HG1 THR B 84 -1.362 13.066 -8.366 1.00 0.00 H new ATOM 0 HG21 THR B 84 -2.381 11.097 -8.822 1.00 0.00 H new ATOM 0 HG22 THR B 84 -3.719 10.597 -7.761 1.00 0.00 H new ATOM 0 HG23 THR B 84 -3.847 12.099 -8.707 1.00 0.00 H new ATOM 1680 N ALA B 85 -3.209 12.214 -3.690 1.00 0.00 N ATOM 1681 CA ALA B 85 -3.221 11.380 -2.473 1.00 0.00 C ATOM 1682 C ALA B 85 -4.573 10.727 -2.226 1.00 0.00 C ATOM 1683 O ALA B 85 -4.665 9.521 -2.005 1.00 0.00 O ATOM 1684 CB ALA B 85 -2.829 12.206 -1.259 1.00 0.00 C ATOM 0 H ALA B 85 -2.764 13.123 -3.566 1.00 0.00 H new ATOM 0 HA ALA B 85 -2.493 10.585 -2.632 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -2.843 11.575 -0.370 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -1.827 12.610 -1.402 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -3.536 13.026 -1.133 1.00 0.00 H new ATOM 1690 N VAL B 86 -5.610 11.542 -2.263 1.00 0.00 N ATOM 1691 CA VAL B 86 -6.977 11.073 -2.051 1.00 0.00 C ATOM 1692 C VAL B 86 -7.351 9.985 -3.065 1.00 0.00 C ATOM 1693 O VAL B 86 -7.809 8.902 -2.699 1.00 0.00 O ATOM 1694 CB VAL B 86 -7.966 12.249 -2.169 1.00 0.00 C ATOM 1695 CG1 VAL B 86 -9.408 11.770 -2.083 1.00 0.00 C ATOM 1696 CG2 VAL B 86 -7.682 13.292 -1.099 1.00 0.00 C ATOM 0 H VAL B 86 -5.535 12.544 -2.440 1.00 0.00 H new ATOM 0 HA VAL B 86 -7.034 10.648 -1.049 1.00 0.00 H new ATOM 0 HB VAL B 86 -7.827 12.708 -3.148 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -10.081 12.623 -2.170 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -9.607 11.068 -2.892 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -9.571 11.276 -1.125 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -8.389 14.115 -1.197 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -7.786 12.839 -0.113 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -6.667 13.670 -1.219 1.00 0.00 H new ATOM 1706 N LYS B 87 -7.116 10.277 -4.339 1.00 0.00 N ATOM 1707 CA LYS B 87 -7.432 9.345 -5.418 1.00 0.00 C ATOM 1708 C LYS B 87 -6.578 8.087 -5.312 1.00 0.00 C ATOM 1709 O LYS B 87 -7.051 6.977 -5.557 1.00 0.00 O ATOM 1710 CB LYS B 87 -7.197 10.014 -6.776 1.00 0.00 C ATOM 1711 CG LYS B 87 -7.892 11.357 -6.922 1.00 0.00 C ATOM 1712 CD LYS B 87 -7.272 12.186 -8.036 1.00 0.00 C ATOM 1713 CE LYS B 87 -7.872 13.582 -8.090 1.00 0.00 C ATOM 1714 NZ LYS B 87 -7.026 14.517 -8.881 1.00 0.00 N ATOM 0 H LYS B 87 -6.705 11.157 -4.652 1.00 0.00 H new ATOM 0 HA LYS B 87 -8.481 9.063 -5.330 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -6.126 10.151 -6.923 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -7.545 9.347 -7.565 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -8.950 11.200 -7.130 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -7.830 11.904 -5.982 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -6.195 12.257 -7.882 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -7.425 11.686 -8.992 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -8.868 13.533 -8.530 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -7.989 13.967 -7.077 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -7.613 15.297 -9.240 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -6.273 14.901 -8.275 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -6.600 14.007 -9.681 1.00 0.00 H new ATOM 1728 N GLU B 88 -5.321 8.275 -4.936 1.00 0.00 N ATOM 1729 CA GLU B 88 -4.386 7.176 -4.792 1.00 0.00 C ATOM 1730 C GLU B 88 -4.824 6.263 -3.655 1.00 0.00 C ATOM 1731 O GLU B 88 -4.776 5.041 -3.771 1.00 0.00 O ATOM 1732 CB GLU B 88 -2.983 7.728 -4.537 1.00 0.00 C ATOM 1733 CG GLU B 88 -2.373 8.412 -5.751 1.00 0.00 C ATOM 1734 CD GLU B 88 -1.225 9.338 -5.392 1.00 0.00 C ATOM 1735 OE1 GLU B 88 -1.037 9.624 -4.191 1.00 0.00 O ATOM 1736 OE2 GLU B 88 -0.517 9.797 -6.317 1.00 0.00 O ATOM 0 H GLU B 88 -4.925 9.191 -4.724 1.00 0.00 H new ATOM 0 HA GLU B 88 -4.369 6.590 -5.711 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -3.025 8.439 -3.712 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -2.331 6.913 -4.223 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -2.017 7.654 -6.448 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -3.145 8.982 -6.267 1.00 0.00 H new ATOM 1743 N ARG B 89 -5.280 6.873 -2.569 1.00 0.00 N ATOM 1744 CA ARG B 89 -5.736 6.135 -1.399 1.00 0.00 C ATOM 1745 C ARG B 89 -6.844 5.153 -1.772 1.00 0.00 C ATOM 1746 O ARG B 89 -6.798 3.986 -1.385 1.00 0.00 O ATOM 1747 CB ARG B 89 -6.222 7.112 -0.323 1.00 0.00 C ATOM 1748 CG ARG B 89 -6.157 6.565 1.098 1.00 0.00 C ATOM 1749 CD ARG B 89 -7.546 6.357 1.688 1.00 0.00 C ATOM 1750 NE ARG B 89 -8.502 7.354 1.211 1.00 0.00 N ATOM 1751 CZ ARG B 89 -9.550 7.062 0.453 1.00 0.00 C ATOM 1752 NH1 ARG B 89 -9.878 5.795 0.230 1.00 0.00 N ATOM 1753 NH2 ARG B 89 -10.290 8.036 -0.051 1.00 0.00 N ATOM 0 H ARG B 89 -5.344 7.887 -2.474 1.00 0.00 H new ATOM 0 HA ARG B 89 -4.899 5.560 -1.003 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -5.623 8.021 -0.377 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -7.251 7.395 -0.544 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -5.616 5.619 1.099 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -5.594 7.254 1.727 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -7.903 5.360 1.429 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -7.488 6.403 2.775 1.00 0.00 H new ATOM 0 HE ARG B 89 -8.355 8.328 1.476 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -9.324 5.045 0.642 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -10.684 5.572 -0.353 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -10.054 9.009 0.144 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -11.097 7.814 -0.634 1.00 0.00 H new ATOM 1767 N ASP B 90 -7.830 5.620 -2.531 1.00 0.00 N ATOM 1768 CA ASP B 90 -8.933 4.756 -2.952 1.00 0.00 C ATOM 1769 C ASP B 90 -8.486 3.734 -3.988 1.00 0.00 C ATOM 1770 O ASP B 90 -8.818 2.559 -3.882 1.00 0.00 O ATOM 1771 CB ASP B 90 -10.108 5.567 -3.513 1.00 0.00 C ATOM 1772 CG ASP B 90 -11.124 5.933 -2.450 1.00 0.00 C ATOM 1773 OD1 ASP B 90 -11.563 5.024 -1.706 1.00 0.00 O ATOM 1774 OD2 ASP B 90 -11.474 7.122 -2.332 1.00 0.00 O ATOM 0 H ASP B 90 -7.891 6.582 -2.866 1.00 0.00 H new ATOM 0 HA ASP B 90 -9.265 4.228 -2.058 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -9.728 6.478 -3.976 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -10.600 4.992 -4.298 1.00 0.00 H new ATOM 1779 N ALA B 91 -7.686 4.175 -4.950 1.00 0.00 N ATOM 1780 CA ALA B 91 -7.227 3.300 -6.032 1.00 0.00 C ATOM 1781 C ALA B 91 -6.400 2.129 -5.512 1.00 0.00 C ATOM 1782 O ALA B 91 -6.507 1.004 -6.004 1.00 0.00 O ATOM 1783 CB ALA B 91 -6.422 4.100 -7.046 1.00 0.00 C ATOM 0 H ALA B 91 -7.339 5.132 -5.007 1.00 0.00 H new ATOM 0 HA ALA B 91 -8.112 2.886 -6.514 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -6.086 3.440 -7.846 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -7.046 4.889 -7.465 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -5.557 4.544 -6.554 1.00 0.00 H new ATOM 1789 N VAL B 92 -5.597 2.398 -4.503 1.00 0.00 N ATOM 1790 CA VAL B 92 -4.737 1.382 -3.920 1.00 0.00 C ATOM 1791 C VAL B 92 -5.551 0.474 -3.012 1.00 0.00 C ATOM 1792 O VAL B 92 -5.447 -0.748 -3.092 1.00 0.00 O ATOM 1793 CB VAL B 92 -3.558 1.999 -3.135 1.00 0.00 C ATOM 1794 CG1 VAL B 92 -2.703 0.914 -2.506 1.00 0.00 C ATOM 1795 CG2 VAL B 92 -2.703 2.868 -4.045 1.00 0.00 C ATOM 0 H VAL B 92 -5.520 3.316 -4.066 1.00 0.00 H new ATOM 0 HA VAL B 92 -4.314 0.799 -4.738 1.00 0.00 H new ATOM 0 HB VAL B 92 -3.973 2.621 -2.342 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -1.879 1.372 -1.958 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -3.311 0.324 -1.820 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -2.304 0.266 -3.287 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -1.878 3.293 -3.473 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -2.305 2.262 -4.859 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -3.312 3.673 -4.456 1.00 0.00 H new ATOM 1805 N LYS B 93 -6.377 1.087 -2.169 1.00 0.00 N ATOM 1806 CA LYS B 93 -7.237 0.349 -1.249 1.00 0.00 C ATOM 1807 C LYS B 93 -8.081 -0.657 -2.016 1.00 0.00 C ATOM 1808 O LYS B 93 -8.174 -1.827 -1.649 1.00 0.00 O ATOM 1809 CB LYS B 93 -8.153 1.325 -0.505 1.00 0.00 C ATOM 1810 CG LYS B 93 -9.253 0.658 0.302 1.00 0.00 C ATOM 1811 CD LYS B 93 -10.602 0.758 -0.397 1.00 0.00 C ATOM 1812 CE LYS B 93 -11.106 2.190 -0.431 1.00 0.00 C ATOM 1813 NZ LYS B 93 -12.074 2.419 -1.535 1.00 0.00 N ATOM 0 H LYS B 93 -6.469 2.101 -2.104 1.00 0.00 H new ATOM 0 HA LYS B 93 -6.613 -0.184 -0.531 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -7.547 1.936 0.164 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -8.608 2.001 -1.229 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -9.003 -0.391 0.462 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -9.317 1.124 1.285 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -10.515 0.378 -1.415 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -11.327 0.128 0.118 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -11.580 2.429 0.521 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -10.260 2.868 -0.545 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -11.974 3.392 -1.888 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -11.884 1.749 -2.308 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -13.042 2.276 -1.183 1.00 0.00 H new ATOM 1827 N ASP B 94 -8.676 -0.166 -3.090 1.00 0.00 N ATOM 1828 CA ASP B 94 -9.524 -0.957 -3.961 1.00 0.00 C ATOM 1829 C ASP B 94 -8.807 -2.181 -4.501 1.00 0.00 C ATOM 1830 O ASP B 94 -9.246 -3.309 -4.280 1.00 0.00 O ATOM 1831 CB ASP B 94 -10.013 -0.076 -5.110 1.00 0.00 C ATOM 1832 CG ASP B 94 -11.339 0.594 -4.808 1.00 0.00 C ATOM 1833 OD1 ASP B 94 -11.451 1.254 -3.752 1.00 0.00 O ATOM 1834 OD2 ASP B 94 -12.272 0.456 -5.623 1.00 0.00 O ATOM 0 H ASP B 94 -8.581 0.806 -3.384 1.00 0.00 H new ATOM 0 HA ASP B 94 -10.371 -1.319 -3.378 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -9.264 0.687 -5.321 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -10.113 -0.682 -6.010 1.00 0.00 H new ATOM 1839 N LEU B 95 -7.696 -1.965 -5.189 1.00 0.00 N ATOM 1840 CA LEU B 95 -6.933 -3.072 -5.758 1.00 0.00 C ATOM 1841 C LEU B 95 -6.476 -4.034 -4.668 1.00 0.00 C ATOM 1842 O LEU B 95 -6.542 -5.251 -4.839 1.00 0.00 O ATOM 1843 CB LEU B 95 -5.730 -2.552 -6.552 1.00 0.00 C ATOM 1844 CG LEU B 95 -5.727 -2.890 -8.052 1.00 0.00 C ATOM 1845 CD1 LEU B 95 -7.040 -2.478 -8.705 1.00 0.00 C ATOM 1846 CD2 LEU B 95 -4.561 -2.203 -8.740 1.00 0.00 C ATOM 0 H LEU B 95 -7.303 -1.041 -5.368 1.00 0.00 H new ATOM 0 HA LEU B 95 -7.587 -3.614 -6.441 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -5.686 -1.468 -6.442 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.821 -2.955 -6.105 1.00 0.00 H new ATOM 0 HG LEU B 95 -5.617 -3.969 -8.159 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -7.013 -2.728 -9.766 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -7.865 -3.007 -8.229 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.183 -1.404 -8.589 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -4.569 -2.449 -9.802 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -4.651 -1.124 -8.617 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -3.625 -2.542 -8.296 1.00 0.00 H new ATOM 1858 N LEU B 96 -6.059 -3.489 -3.533 1.00 0.00 N ATOM 1859 CA LEU B 96 -5.579 -4.306 -2.429 1.00 0.00 C ATOM 1860 C LEU B 96 -6.685 -5.166 -1.826 1.00 0.00 C ATOM 1861 O LEU B 96 -6.523 -6.377 -1.684 1.00 0.00 O ATOM 1862 CB LEU B 96 -4.944 -3.438 -1.356 1.00 0.00 C ATOM 1863 CG LEU B 96 -3.611 -2.844 -1.773 1.00 0.00 C ATOM 1864 CD1 LEU B 96 -2.999 -2.036 -0.643 1.00 0.00 C ATOM 1865 CD2 LEU B 96 -2.663 -3.936 -2.230 1.00 0.00 C ATOM 0 H LEU B 96 -6.044 -2.485 -3.354 1.00 0.00 H new ATOM 0 HA LEU B 96 -4.825 -4.980 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -5.629 -2.630 -1.100 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -4.802 -4.033 -0.454 1.00 0.00 H new ATOM 0 HG LEU B 96 -3.786 -2.168 -2.610 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -2.045 -1.621 -0.968 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -3.673 -1.224 -0.370 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -2.839 -2.681 0.221 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -1.712 -3.492 -2.525 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -2.497 -4.639 -1.414 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -3.097 -4.463 -3.080 1.00 0.00 H new ATOM 1877 N GLN B 97 -7.814 -4.548 -1.500 1.00 0.00 N ATOM 1878 CA GLN B 97 -8.932 -5.272 -0.901 1.00 0.00 C ATOM 1879 C GLN B 97 -9.515 -6.288 -1.878 1.00 0.00 C ATOM 1880 O GLN B 97 -10.160 -7.249 -1.472 1.00 0.00 O ATOM 1881 CB GLN B 97 -10.022 -4.308 -0.418 1.00 0.00 C ATOM 1882 CG GLN B 97 -10.857 -3.693 -1.525 1.00 0.00 C ATOM 1883 CD GLN B 97 -12.177 -3.150 -1.012 1.00 0.00 C ATOM 1884 OE1 GLN B 97 -13.180 -3.155 -1.723 1.00 0.00 O ATOM 1885 NE2 GLN B 97 -12.187 -2.681 0.229 1.00 0.00 N ATOM 0 H GLN B 97 -7.981 -3.551 -1.639 1.00 0.00 H new ATOM 0 HA GLN B 97 -8.547 -5.811 -0.036 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -10.684 -4.841 0.265 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -9.553 -3.507 0.153 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -10.294 -2.888 -1.998 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -11.048 -4.443 -2.293 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -11.333 -2.695 0.786 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -13.049 -2.307 0.626 1.00 0.00 H new ATOM 1894 N GLN B 98 -9.296 -6.064 -3.165 1.00 0.00 N ATOM 1895 CA GLN B 98 -9.783 -6.977 -4.187 1.00 0.00 C ATOM 1896 C GLN B 98 -8.884 -8.207 -4.285 1.00 0.00 C ATOM 1897 O GLN B 98 -9.339 -9.305 -4.612 1.00 0.00 O ATOM 1898 CB GLN B 98 -9.838 -6.274 -5.540 1.00 0.00 C ATOM 1899 CG GLN B 98 -11.055 -5.381 -5.719 1.00 0.00 C ATOM 1900 CD GLN B 98 -11.005 -4.584 -7.007 1.00 0.00 C ATOM 1901 OE1 GLN B 98 -10.466 -5.044 -8.014 1.00 0.00 O ATOM 1902 NE2 GLN B 98 -11.557 -3.381 -6.983 1.00 0.00 N ATOM 0 H GLN B 98 -8.785 -5.259 -3.526 1.00 0.00 H new ATOM 0 HA GLN B 98 -10.787 -7.297 -3.906 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -8.937 -5.673 -5.664 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -9.831 -7.025 -6.330 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -11.956 -5.994 -5.710 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -11.127 -4.696 -4.874 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -11.994 -3.037 -6.128 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -11.546 -2.798 -7.820 1.00 0.00 H new ATOM 1911 N LEU B 99 -7.603 -8.009 -4.028 1.00 0.00 N ATOM 1912 CA LEU B 99 -6.625 -9.089 -4.092 1.00 0.00 C ATOM 1913 C LEU B 99 -6.511 -9.847 -2.773 1.00 0.00 C ATOM 1914 O LEU B 99 -6.277 -11.054 -2.765 1.00 0.00 O ATOM 1915 CB LEU B 99 -5.260 -8.525 -4.478 1.00 0.00 C ATOM 1916 CG LEU B 99 -5.215 -7.885 -5.861 1.00 0.00 C ATOM 1917 CD1 LEU B 99 -4.096 -6.858 -5.935 1.00 0.00 C ATOM 1918 CD2 LEU B 99 -5.039 -8.945 -6.935 1.00 0.00 C ATOM 0 H LEU B 99 -7.210 -7.104 -3.771 1.00 0.00 H new ATOM 0 HA LEU B 99 -6.969 -9.796 -4.847 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -4.964 -7.783 -3.737 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -4.523 -9.327 -4.437 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.163 -7.375 -6.036 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.078 -6.411 -6.929 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.266 -6.081 -5.190 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.141 -7.346 -5.739 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -5.009 -8.469 -7.915 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.107 -9.484 -6.765 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -5.874 -9.644 -6.897 1.00 0.00 H new ATOM 1930 N LEU B 100 -6.696 -9.131 -1.670 1.00 0.00 N ATOM 1931 CA LEU B 100 -6.578 -9.701 -0.326 1.00 0.00 C ATOM 1932 C LEU B 100 -7.326 -11.028 -0.124 1.00 0.00 C ATOM 1933 O LEU B 100 -6.696 -12.006 0.248 1.00 0.00 O ATOM 1934 CB LEU B 100 -7.014 -8.683 0.729 1.00 0.00 C ATOM 1935 CG LEU B 100 -5.900 -7.762 1.223 1.00 0.00 C ATOM 1936 CD1 LEU B 100 -6.450 -6.724 2.184 1.00 0.00 C ATOM 1937 CD2 LEU B 100 -4.797 -8.568 1.888 1.00 0.00 C ATOM 0 H LEU B 100 -6.932 -8.139 -1.678 1.00 0.00 H new ATOM 0 HA LEU B 100 -5.521 -9.938 -0.206 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -7.816 -8.072 0.315 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -7.429 -9.219 1.582 1.00 0.00 H new ATOM 0 HG LEU B 100 -5.479 -7.244 0.362 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -5.641 -6.078 2.524 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -7.205 -6.123 1.677 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -6.900 -7.224 3.042 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -4.012 -7.895 2.233 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -5.207 -9.114 2.738 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -4.379 -9.274 1.170 1.00 0.00 H new ATOM 1949 N PRO B 101 -8.650 -11.112 -0.386 1.00 0.00 N ATOM 1950 CA PRO B 101 -9.425 -12.353 -0.171 1.00 0.00 C ATOM 1951 C PRO B 101 -8.871 -13.576 -0.909 1.00 0.00 C ATOM 1952 O PRO B 101 -9.279 -14.704 -0.642 1.00 0.00 O ATOM 1953 CB PRO B 101 -10.825 -12.010 -0.701 1.00 0.00 C ATOM 1954 CG PRO B 101 -10.640 -10.788 -1.533 1.00 0.00 C ATOM 1955 CD PRO B 101 -9.505 -10.037 -0.906 1.00 0.00 C ATOM 0 HA PRO B 101 -9.397 -12.639 0.880 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -11.234 -12.830 -1.291 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -11.522 -11.827 0.117 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -10.413 -11.049 -2.567 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -11.547 -10.184 -1.549 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -8.979 -9.418 -1.633 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -9.849 -9.374 -0.112 1.00 0.00 H new ATOM 1963 N LYS B 102 -7.954 -13.352 -1.837 1.00 0.00 N ATOM 1964 CA LYS B 102 -7.366 -14.443 -2.600 1.00 0.00 C ATOM 1965 C LYS B 102 -6.151 -15.037 -1.889 1.00 0.00 C ATOM 1966 O LYS B 102 -5.822 -16.204 -2.092 1.00 0.00 O ATOM 1967 CB LYS B 102 -6.954 -13.953 -3.989 1.00 0.00 C ATOM 1968 CG LYS B 102 -8.075 -13.281 -4.762 1.00 0.00 C ATOM 1969 CD LYS B 102 -7.544 -12.552 -5.984 1.00 0.00 C ATOM 1970 CE LYS B 102 -8.666 -11.902 -6.775 1.00 0.00 C ATOM 1971 NZ LYS B 102 -8.473 -10.432 -6.914 1.00 0.00 N ATOM 0 H LYS B 102 -7.601 -12.426 -2.080 1.00 0.00 H new ATOM 0 HA LYS B 102 -8.122 -15.223 -2.693 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -6.126 -13.252 -3.885 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -6.584 -14.800 -4.567 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -8.805 -14.029 -5.071 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -8.595 -12.576 -4.113 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -6.829 -11.791 -5.673 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -7.006 -13.253 -6.622 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -8.721 -12.355 -7.765 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -9.618 -12.097 -6.281 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -9.243 -10.034 -7.489 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -8.480 -9.990 -5.972 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -7.561 -10.244 -7.378 1.00 0.00 H new ATOM 1985 N PHE B 103 -5.479 -14.236 -1.064 1.00 0.00 N ATOM 1986 CA PHE B 103 -4.273 -14.706 -0.379 1.00 0.00 C ATOM 1987 C PHE B 103 -4.313 -14.499 1.141 1.00 0.00 C ATOM 1988 O PHE B 103 -3.522 -15.109 1.860 1.00 0.00 O ATOM 1989 CB PHE B 103 -3.041 -13.993 -0.949 1.00 0.00 C ATOM 1990 CG PHE B 103 -3.019 -13.902 -2.452 1.00 0.00 C ATOM 1991 CD1 PHE B 103 -2.558 -14.959 -3.220 1.00 0.00 C ATOM 1992 CD2 PHE B 103 -3.459 -12.756 -3.097 1.00 0.00 C ATOM 1993 CE1 PHE B 103 -2.537 -14.875 -4.600 1.00 0.00 C ATOM 1994 CE2 PHE B 103 -3.441 -12.666 -4.474 1.00 0.00 C ATOM 1995 CZ PHE B 103 -2.979 -13.726 -5.228 1.00 0.00 C ATOM 0 H PHE B 103 -5.742 -13.273 -0.855 1.00 0.00 H new ATOM 0 HA PHE B 103 -4.219 -15.780 -0.555 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -2.994 -12.986 -0.535 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -2.145 -14.517 -0.615 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -2.211 -15.859 -2.735 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -3.821 -11.922 -2.514 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -2.175 -15.707 -5.187 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -3.788 -11.767 -4.961 1.00 0.00 H new ATOM 0 HZ PHE B 103 -2.963 -13.658 -6.306 1.00 0.00 H new