USER MOD reduce.3.24.130724 H: found=0, std=0, add=912, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 914 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 131 CYS SG : rot -160:sc= -0.665 USER MOD Set 1.2: B 135 MET CE :methyl -177:sc= -2.25! (180deg=-2.38!) USER MOD Set 2.1: B 127 ASN :FLIP amide:sc= 0.759 F(o=-7.1,f=-3.1) USER MOD Set 2.2: B 130 ASN :FLIP amide:sc= -3.8! C(o=-6.7!,f=-3.1!) USER MOD Set 2.3: B 158 ASN :FLIP amide:sc= -0.396 F(o=-8!,f=-3.1) USER MOD Set 2.4: B 161 ASN :FLIP amide:sc= 0.289 F(o=-4.5,f=-3.1) USER MOD Set 3.1: A 31 CYS SG : rot -160:sc= -0.62 USER MOD Set 3.2: A 35 MET CE :methyl -175:sc= -2.03 (180deg=-2.16!) USER MOD Set 4.1: A 27 ASN :FLIP amide:sc= 0.942 F(o=-6,f=-2.6) USER MOD Set 4.2: A 30 ASN :FLIP amide:sc= -3.78! C(o=-5.8!,f=-2.6!) USER MOD Set 4.3: A 61 ASN :FLIP amide:sc= 0.194 F(o=-3.9,f=-2.6) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl 150:sc= -0.0545 (180deg=-0.453) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 141:sc= -1.07 USER MOD Single : A 36 HIS : no HD1:sc= -0.0488 X(o=-0.049,f=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.149 X(o=-0.15,f=0.027) USER MOD Single : A 39 LYS NZ :NH3+ -145:sc= 0.328 (180deg=0.00642) USER MOD Single : A 40 ASN : amide:sc= -3.89! C(o=-3.9!,f=-5!) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.064 X(o=-0.064,f=-0.17) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.196 X(o=-0.2,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 169:sc= -0.0182 (180deg=-0.158) USER MOD Single : A 64 GLN :FLIP amide:sc= -0.0164 F(o=-2.5!,f=-0.016) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= 0.286 K(o=0.29,f=-1.1) USER MOD Single : A 71 THR OG1 : rot 58:sc= 1.27 USER MOD Single : A 72 SER OG : rot 52:sc= 0.386 USER MOD Single : B 117 GLN : amide:sc= -0.0175 K(o=-0.017,f=-1.1) USER MOD Single : B 122 LYS NZ :NH3+ -118:sc= -1.16! (180deg=-1.79!) USER MOD Single : B 123 MET CE :methyl 155:sc= -0.191 (180deg=-0.946) USER MOD Single : B 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 133 SER OG : rot 85:sc= 0.987 USER MOD Single : B 136 HIS : no HD1:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : B 137 HIS :FLIP no HE2:sc= 0.113 F(o=-0.47,f=0.11) USER MOD Single : B 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 140 ASN : amide:sc= -3.16! C(o=-3.2!,f=-4.8!) USER MOD Single : B 148 SER OG : rot 180:sc= 0 USER MOD Single : B 149 GLN : amide:sc= -1.88! C(o=-1.9!,f=-4.2!) USER MOD Single : B 153 THR OG1 : rot 71:sc= 1.16 USER MOD Single : B 154 SER OG : rot 180:sc= 0 USER MOD Single : B 163 LYS NZ :NH3+ -166:sc= -0.0703 (180deg=-0.4) USER MOD Single : B 164 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 166 TYR OH : rot 180:sc= 0 USER MOD Single : B 170 HIS : no HE2:sc= 0.781 K(o=0.78,f=-2.7!) USER MOD Single : B 171 THR OG1 : rot 90:sc= 1.32 USER MOD Single : B 172 SER OG : rot 55:sc= 0.943 USER MOD ----------------------------------------------------------------- ATOM 217 N GLY A 15 9.372 2.072 8.686 1.00 0.00 N ATOM 218 CA GLY A 15 8.196 2.606 8.085 1.00 0.00 C ATOM 219 C GLY A 15 7.686 1.644 7.027 1.00 0.00 C ATOM 220 O GLY A 15 6.802 0.828 7.303 1.00 0.00 O ATOM 0 HA2 GLY A 15 7.430 2.769 8.843 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.412 3.575 7.636 1.00 0.00 H new ATOM 224 N PRO A 16 8.268 1.683 5.821 1.00 0.00 N ATOM 225 CA PRO A 16 7.883 0.808 4.698 1.00 0.00 C ATOM 226 C PRO A 16 8.132 -0.720 4.969 1.00 0.00 C ATOM 227 O PRO A 16 7.301 -1.568 4.603 1.00 0.00 O ATOM 228 CB PRO A 16 8.751 1.341 3.537 1.00 0.00 C ATOM 229 CG PRO A 16 9.900 1.996 4.212 1.00 0.00 C ATOM 230 CD PRO A 16 9.329 2.629 5.429 1.00 0.00 C ATOM 0 HA PRO A 16 6.812 0.845 4.499 1.00 0.00 H new ATOM 0 HB2 PRO A 16 9.081 0.534 2.883 1.00 0.00 H new ATOM 0 HB3 PRO A 16 8.198 2.047 2.918 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.671 1.270 4.471 1.00 0.00 H new ATOM 0 HG3 PRO A 16 10.366 2.738 3.564 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.077 2.746 6.213 1.00 0.00 H new ATOM 0 HD3 PRO A 16 8.929 3.621 5.219 1.00 0.00 H new ATOM 238 N GLN A 17 9.243 -1.070 5.644 1.00 0.00 N ATOM 239 CA GLN A 17 9.543 -2.492 5.938 1.00 0.00 C ATOM 240 C GLN A 17 8.469 -3.089 6.845 1.00 0.00 C ATOM 241 O GLN A 17 7.860 -4.122 6.541 1.00 0.00 O ATOM 242 CB GLN A 17 10.915 -2.649 6.600 1.00 0.00 C ATOM 243 CG GLN A 17 11.203 -4.080 7.058 1.00 0.00 C ATOM 244 CD GLN A 17 12.516 -4.221 7.782 1.00 0.00 C ATOM 245 OE1 GLN A 17 12.989 -3.292 8.417 1.00 0.00 O ATOM 246 NE2 GLN A 17 13.096 -5.388 7.718 1.00 0.00 N ATOM 0 H GLN A 17 9.937 -0.408 5.991 1.00 0.00 H new ATOM 0 HA GLN A 17 9.554 -3.026 4.988 1.00 0.00 H new ATOM 0 HB2 GLN A 17 11.688 -2.337 5.898 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.976 -1.980 7.459 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.398 -4.414 7.712 1.00 0.00 H new ATOM 0 HG3 GLN A 17 11.202 -4.739 6.190 1.00 0.00 H new ATOM 0 HE21 GLN A 17 12.670 -6.140 7.177 1.00 0.00 H new ATOM 0 HE22 GLN A 17 13.976 -5.548 8.209 1.00 0.00 H new ATOM 255 N ASP A 18 8.241 -2.417 7.944 1.00 0.00 N ATOM 256 CA ASP A 18 7.219 -2.791 8.922 1.00 0.00 C ATOM 257 C ASP A 18 5.838 -2.765 8.296 1.00 0.00 C ATOM 258 O ASP A 18 4.952 -3.543 8.669 1.00 0.00 O ATOM 259 CB ASP A 18 7.295 -1.826 10.081 1.00 0.00 C ATOM 260 CG ASP A 18 6.140 -1.874 11.043 1.00 0.00 C ATOM 261 OD1 ASP A 18 6.216 -2.611 12.034 1.00 0.00 O ATOM 262 OD2 ASP A 18 5.183 -1.078 10.872 1.00 0.00 O ATOM 0 H ASP A 18 8.762 -1.579 8.200 1.00 0.00 H new ATOM 0 HA ASP A 18 7.399 -3.807 9.272 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.214 -2.022 10.634 1.00 0.00 H new ATOM 0 HB3 ASP A 18 7.372 -0.814 9.684 1.00 0.00 H new ATOM 267 N PHE A 19 5.679 -1.895 7.305 1.00 0.00 N ATOM 268 CA PHE A 19 4.423 -1.727 6.608 1.00 0.00 C ATOM 269 C PHE A 19 4.064 -3.026 5.901 1.00 0.00 C ATOM 270 O PHE A 19 2.907 -3.387 5.813 1.00 0.00 O ATOM 271 CB PHE A 19 4.539 -0.576 5.616 1.00 0.00 C ATOM 272 CG PHE A 19 3.248 -0.040 5.119 1.00 0.00 C ATOM 273 CD1 PHE A 19 2.394 0.599 5.995 1.00 0.00 C ATOM 274 CD2 PHE A 19 2.899 -0.128 3.784 1.00 0.00 C ATOM 275 CE1 PHE A 19 1.213 1.142 5.561 1.00 0.00 C ATOM 276 CE2 PHE A 19 1.710 0.410 3.343 1.00 0.00 C ATOM 277 CZ PHE A 19 0.869 1.048 4.233 1.00 0.00 C ATOM 0 H PHE A 19 6.425 -1.287 6.966 1.00 0.00 H new ATOM 0 HA PHE A 19 3.630 -1.487 7.317 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.094 0.235 6.088 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.128 -0.911 4.762 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.661 0.672 7.039 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.560 -0.620 3.086 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.556 1.641 6.258 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.436 0.333 2.301 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.061 1.474 3.885 1.00 0.00 H new ATOM 287 N LEU A 20 5.079 -3.728 5.431 1.00 0.00 N ATOM 288 CA LEU A 20 4.896 -5.033 4.818 1.00 0.00 C ATOM 289 C LEU A 20 4.535 -6.066 5.853 1.00 0.00 C ATOM 290 O LEU A 20 3.554 -6.764 5.719 1.00 0.00 O ATOM 291 CB LEU A 20 6.167 -5.505 4.145 1.00 0.00 C ATOM 292 CG LEU A 20 6.683 -4.684 3.006 1.00 0.00 C ATOM 293 CD1 LEU A 20 7.967 -5.296 2.501 1.00 0.00 C ATOM 294 CD2 LEU A 20 5.654 -4.606 1.895 1.00 0.00 C ATOM 0 H LEU A 20 6.049 -3.413 5.462 1.00 0.00 H new ATOM 0 HA LEU A 20 4.096 -4.923 4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.949 -5.562 4.902 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.001 -6.519 3.782 1.00 0.00 H new ATOM 0 HG LEU A 20 6.878 -3.668 3.350 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.350 -4.704 1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.703 -5.313 3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.776 -6.314 2.163 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.048 -4.005 1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.432 -5.610 1.534 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.742 -4.147 2.276 1.00 0.00 H new ATOM 306 N LEU A 21 5.325 -6.132 6.909 1.00 0.00 N ATOM 307 CA LEU A 21 5.195 -7.175 7.940 1.00 0.00 C ATOM 308 C LEU A 21 3.839 -7.169 8.650 1.00 0.00 C ATOM 309 O LEU A 21 3.462 -8.154 9.305 1.00 0.00 O ATOM 310 CB LEU A 21 6.319 -7.060 8.959 1.00 0.00 C ATOM 311 CG LEU A 21 7.735 -7.214 8.409 1.00 0.00 C ATOM 312 CD1 LEU A 21 8.757 -6.928 9.491 1.00 0.00 C ATOM 313 CD2 LEU A 21 7.939 -8.619 7.871 1.00 0.00 C ATOM 0 H LEU A 21 6.079 -5.469 7.087 1.00 0.00 H new ATOM 0 HA LEU A 21 5.266 -8.128 7.416 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.243 -6.088 9.447 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.165 -7.816 9.729 1.00 0.00 H new ATOM 0 HG LEU A 21 7.869 -6.498 7.598 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.761 -7.042 9.082 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.627 -5.909 9.854 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.619 -7.627 10.316 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.952 -8.716 7.482 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.788 -9.341 8.673 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.223 -8.810 7.071 1.00 0.00 H new ATOM 325 N LYS A 22 3.104 -6.098 8.517 1.00 0.00 N ATOM 326 CA LYS A 22 1.810 -6.001 9.140 1.00 0.00 C ATOM 327 C LYS A 22 0.707 -6.399 8.175 1.00 0.00 C ATOM 328 O LYS A 22 -0.452 -6.506 8.561 1.00 0.00 O ATOM 329 CB LYS A 22 1.570 -4.607 9.644 1.00 0.00 C ATOM 330 CG LYS A 22 1.471 -3.581 8.556 1.00 0.00 C ATOM 331 CD LYS A 22 1.163 -2.244 9.127 1.00 0.00 C ATOM 332 CE LYS A 22 2.351 -1.719 9.942 1.00 0.00 C ATOM 333 NZ LYS A 22 2.116 -0.387 10.516 1.00 0.00 N ATOM 0 H LYS A 22 3.380 -5.276 7.980 1.00 0.00 H new ATOM 0 HA LYS A 22 1.795 -6.691 9.984 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.649 -4.595 10.227 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.379 -4.330 10.320 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.409 -3.539 8.002 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.694 -3.868 7.847 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.928 -1.545 8.324 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.279 -2.308 9.762 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.570 -2.421 10.747 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.233 -1.682 9.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.954 -0.088 11.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.935 0.294 9.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.292 -0.422 11.150 1.00 0.00 H new ATOM 347 N MET A 23 1.071 -6.628 6.932 1.00 0.00 N ATOM 348 CA MET A 23 0.099 -6.982 5.925 1.00 0.00 C ATOM 349 C MET A 23 -0.192 -8.482 6.007 1.00 0.00 C ATOM 350 O MET A 23 0.732 -9.288 6.239 1.00 0.00 O ATOM 351 CB MET A 23 0.608 -6.680 4.509 1.00 0.00 C ATOM 352 CG MET A 23 1.017 -5.246 4.230 1.00 0.00 C ATOM 353 SD MET A 23 1.471 -5.029 2.495 1.00 0.00 S ATOM 354 CE MET A 23 1.944 -3.312 2.441 1.00 0.00 C ATOM 0 H MET A 23 2.033 -6.575 6.596 1.00 0.00 H new ATOM 0 HA MET A 23 -0.797 -6.390 6.114 1.00 0.00 H new ATOM 0 HB2 MET A 23 1.464 -7.324 4.309 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.172 -6.957 3.800 1.00 0.00 H new ATOM 0 HG2 MET A 23 0.196 -4.574 4.482 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.859 -4.974 4.867 1.00 0.00 H new ATOM 0 HE1 MET A 23 2.703 -3.168 1.672 1.00 0.00 H new ATOM 0 HE2 MET A 23 1.071 -2.701 2.209 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.348 -3.015 3.409 1.00 0.00 H new ATOM 364 N PRO A 24 -1.457 -8.890 5.860 1.00 0.00 N ATOM 365 CA PRO A 24 -1.825 -10.305 5.831 1.00 0.00 C ATOM 366 C PRO A 24 -1.206 -10.993 4.609 1.00 0.00 C ATOM 367 O PRO A 24 -1.447 -10.597 3.476 1.00 0.00 O ATOM 368 CB PRO A 24 -3.360 -10.293 5.721 1.00 0.00 C ATOM 369 CG PRO A 24 -3.711 -8.930 5.242 1.00 0.00 C ATOM 370 CD PRO A 24 -2.627 -8.010 5.731 1.00 0.00 C ATOM 0 HA PRO A 24 -1.472 -10.849 6.707 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -3.710 -11.056 5.026 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.825 -10.503 6.685 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -3.777 -8.907 4.154 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -4.683 -8.622 5.627 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -2.442 -7.199 5.027 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -2.890 -7.551 6.684 1.00 0.00 H new ATOM 378 N GLY A 25 -0.391 -11.990 4.849 1.00 0.00 N ATOM 379 CA GLY A 25 0.267 -12.671 3.767 1.00 0.00 C ATOM 380 C GLY A 25 1.761 -12.444 3.805 1.00 0.00 C ATOM 381 O GLY A 25 2.512 -13.003 3.015 1.00 0.00 O ATOM 0 H GLY A 25 -0.169 -12.345 5.779 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.057 -13.739 3.825 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.133 -12.319 2.816 1.00 0.00 H new ATOM 385 N VAL A 26 2.197 -11.626 4.726 1.00 0.00 N ATOM 386 CA VAL A 26 3.594 -11.303 4.834 1.00 0.00 C ATOM 387 C VAL A 26 4.225 -11.888 6.101 1.00 0.00 C ATOM 388 O VAL A 26 3.647 -11.839 7.192 1.00 0.00 O ATOM 389 CB VAL A 26 3.840 -9.765 4.768 1.00 0.00 C ATOM 390 CG1 VAL A 26 5.322 -9.427 4.927 1.00 0.00 C ATOM 391 CG2 VAL A 26 3.317 -9.197 3.456 1.00 0.00 C ATOM 0 H VAL A 26 1.600 -11.169 5.416 1.00 0.00 H new ATOM 0 HA VAL A 26 4.081 -11.763 3.974 1.00 0.00 H new ATOM 0 HB VAL A 26 3.297 -9.310 5.597 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.456 -8.347 4.876 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.677 -9.792 5.891 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.891 -9.902 4.128 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.497 -8.122 3.427 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.832 -9.674 2.622 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.247 -9.388 3.378 1.00 0.00 H new ATOM 401 N ASN A 27 5.399 -12.445 5.918 1.00 0.00 N ATOM 402 CA ASN A 27 6.259 -12.962 6.976 1.00 0.00 C ATOM 403 C ASN A 27 7.592 -12.370 6.678 1.00 0.00 C ATOM 404 O ASN A 27 7.798 -11.931 5.550 1.00 0.00 O ATOM 405 CB ASN A 27 6.424 -14.493 6.929 1.00 0.00 C ATOM 406 CG ASN A 27 5.156 -15.296 7.049 1.00 0.00 C ATOM 407 OD1 ASN A 27 4.609 -15.665 5.937 1.00 0.00 O flip ATOM 408 ND2 ASN A 27 4.714 -15.634 8.147 1.00 0.00 N flip ATOM 0 H ASN A 27 5.806 -12.559 4.990 1.00 0.00 H new ATOM 0 HA ASN A 27 5.838 -12.716 7.951 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.911 -14.758 5.991 1.00 0.00 H new ATOM 0 HB3 ASN A 27 7.097 -14.791 7.733 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.176 -15.321 9.001 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.886 -16.227 8.203 1.00 0.00 H new ATOM 415 N ALA A 28 8.502 -12.386 7.615 1.00 0.00 N ATOM 416 CA ALA A 28 9.815 -11.794 7.420 1.00 0.00 C ATOM 417 C ALA A 28 10.579 -12.479 6.297 1.00 0.00 C ATOM 418 O ALA A 28 11.308 -11.819 5.552 1.00 0.00 O ATOM 419 CB ALA A 28 10.617 -11.806 8.706 1.00 0.00 C ATOM 0 H ALA A 28 8.363 -12.806 8.534 1.00 0.00 H new ATOM 0 HA ALA A 28 9.661 -10.755 7.127 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.594 -11.357 8.529 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.088 -11.236 9.470 1.00 0.00 H new ATOM 0 HB3 ALA A 28 10.746 -12.834 9.045 1.00 0.00 H new ATOM 425 N LYS A 29 10.340 -13.778 6.114 1.00 0.00 N ATOM 426 CA LYS A 29 11.067 -14.523 5.091 1.00 0.00 C ATOM 427 C LYS A 29 10.681 -14.037 3.700 1.00 0.00 C ATOM 428 O LYS A 29 11.528 -13.750 2.839 1.00 0.00 O ATOM 429 CB LYS A 29 10.868 -16.063 5.213 1.00 0.00 C ATOM 430 CG LYS A 29 9.437 -16.601 5.027 1.00 0.00 C ATOM 431 CD LYS A 29 9.468 -18.116 4.803 1.00 0.00 C ATOM 432 CE LYS A 29 8.079 -18.730 4.586 1.00 0.00 C ATOM 433 NZ LYS A 29 7.252 -18.768 5.815 1.00 0.00 N ATOM 0 H LYS A 29 9.664 -14.324 6.648 1.00 0.00 H new ATOM 0 HA LYS A 29 12.128 -14.331 5.253 1.00 0.00 H new ATOM 0 HB2 LYS A 29 11.510 -16.547 4.477 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.221 -16.373 6.196 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.836 -16.368 5.906 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.963 -16.110 4.177 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.093 -18.335 3.937 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.937 -18.593 5.663 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.553 -18.159 3.821 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.194 -19.744 4.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.328 -19.194 5.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.734 -19.337 6.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.113 -17.800 6.170 1.00 0.00 H new ATOM 447 N ASN A 30 9.418 -13.853 3.515 1.00 0.00 N ATOM 448 CA ASN A 30 8.924 -13.466 2.242 1.00 0.00 C ATOM 449 C ASN A 30 8.865 -11.970 2.091 1.00 0.00 C ATOM 450 O ASN A 30 8.612 -11.467 1.027 1.00 0.00 O ATOM 451 CB ASN A 30 7.623 -14.189 1.897 1.00 0.00 C ATOM 452 CG ASN A 30 6.513 -14.097 2.937 1.00 0.00 C ATOM 453 OD1 ASN A 30 5.591 -13.187 2.773 1.00 0.00 O flip ATOM 454 ND2 ASN A 30 6.479 -14.881 3.871 1.00 0.00 N flip ATOM 0 H ASN A 30 8.706 -13.966 4.236 1.00 0.00 H new ATOM 0 HA ASN A 30 9.640 -13.794 1.489 1.00 0.00 H new ATOM 0 HB2 ASN A 30 7.246 -13.789 0.956 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.849 -15.242 1.728 1.00 0.00 H new ATOM 0 HD21 ASN A 30 7.212 -15.582 3.975 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.717 -14.835 4.548 1.00 0.00 H new ATOM 461 N CYS A 31 9.081 -11.279 3.179 1.00 0.00 N ATOM 462 CA CYS A 31 9.232 -9.843 3.187 1.00 0.00 C ATOM 463 C CYS A 31 10.585 -9.477 2.626 1.00 0.00 C ATOM 464 O CYS A 31 10.697 -8.575 1.841 1.00 0.00 O ATOM 465 CB CYS A 31 9.108 -9.296 4.599 1.00 0.00 C ATOM 466 SG CYS A 31 9.333 -7.515 4.773 1.00 0.00 S ATOM 0 H CYS A 31 9.159 -11.704 4.103 1.00 0.00 H new ATOM 0 HA CYS A 31 8.443 -9.407 2.574 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.123 -9.558 4.985 1.00 0.00 H new ATOM 0 HB3 CYS A 31 9.841 -9.799 5.229 1.00 0.00 H new ATOM 0 HG CYS A 31 9.622 -7.233 6.009 1.00 0.00 H new ATOM 472 N ARG A 32 11.618 -10.199 3.039 1.00 0.00 N ATOM 473 CA ARG A 32 12.967 -9.908 2.584 1.00 0.00 C ATOM 474 C ARG A 32 13.130 -10.252 1.120 1.00 0.00 C ATOM 475 O ARG A 32 13.743 -9.495 0.351 1.00 0.00 O ATOM 476 CB ARG A 32 14.017 -10.601 3.459 1.00 0.00 C ATOM 477 CG ARG A 32 13.950 -12.113 3.503 1.00 0.00 C ATOM 478 CD ARG A 32 14.908 -12.767 2.508 1.00 0.00 C ATOM 479 NE ARG A 32 14.855 -14.225 2.591 1.00 0.00 N ATOM 480 CZ ARG A 32 15.578 -15.079 1.859 1.00 0.00 C ATOM 481 NH1 ARG A 32 16.423 -14.634 0.928 1.00 0.00 N ATOM 482 NH2 ARG A 32 15.460 -16.378 2.076 1.00 0.00 N ATOM 0 H ARG A 32 11.547 -10.986 3.684 1.00 0.00 H new ATOM 0 HA ARG A 32 13.132 -8.835 2.686 1.00 0.00 H new ATOM 0 HB2 ARG A 32 15.006 -10.311 3.104 1.00 0.00 H new ATOM 0 HB3 ARG A 32 13.920 -10.223 4.477 1.00 0.00 H new ATOM 0 HG2 ARG A 32 14.187 -12.455 4.510 1.00 0.00 H new ATOM 0 HG3 ARG A 32 12.931 -12.435 3.288 1.00 0.00 H new ATOM 0 HD2 ARG A 32 14.655 -12.450 1.496 1.00 0.00 H new ATOM 0 HD3 ARG A 32 15.925 -12.427 2.704 1.00 0.00 H new ATOM 0 HE ARG A 32 14.208 -14.628 3.269 1.00 0.00 H new ATOM 0 HH11 ARG A 32 16.523 -13.632 0.768 1.00 0.00 H new ATOM 0 HH12 ARG A 32 16.969 -15.296 0.376 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.823 -16.719 2.796 1.00 0.00 H new ATOM 0 HH22 ARG A 32 16.006 -17.039 1.524 1.00 0.00 H new ATOM 496 N SER A 33 12.568 -11.372 0.717 1.00 0.00 N ATOM 497 CA SER A 33 12.602 -11.750 -0.674 1.00 0.00 C ATOM 498 C SER A 33 11.793 -10.750 -1.489 1.00 0.00 C ATOM 499 O SER A 33 12.184 -10.347 -2.600 1.00 0.00 O ATOM 500 CB SER A 33 12.077 -13.164 -0.833 1.00 0.00 C ATOM 501 OG SER A 33 10.775 -13.298 -0.297 1.00 0.00 O ATOM 0 H SER A 33 12.086 -12.030 1.330 1.00 0.00 H new ATOM 0 HA SER A 33 13.627 -11.735 -1.043 1.00 0.00 H new ATOM 0 HB2 SER A 33 12.066 -13.432 -1.889 1.00 0.00 H new ATOM 0 HB3 SER A 33 12.750 -13.861 -0.334 1.00 0.00 H new ATOM 0 HG SER A 33 10.241 -13.880 -0.877 1.00 0.00 H new ATOM 507 N LEU A 34 10.710 -10.287 -0.882 1.00 0.00 N ATOM 508 CA LEU A 34 9.825 -9.309 -1.500 1.00 0.00 C ATOM 509 C LEU A 34 10.577 -8.045 -1.701 1.00 0.00 C ATOM 510 O LEU A 34 10.553 -7.467 -2.742 1.00 0.00 O ATOM 511 CB LEU A 34 8.656 -8.988 -0.597 1.00 0.00 C ATOM 512 CG LEU A 34 7.528 -8.196 -1.243 1.00 0.00 C ATOM 513 CD1 LEU A 34 6.627 -9.060 -2.102 1.00 0.00 C ATOM 514 CD2 LEU A 34 6.766 -7.405 -0.233 1.00 0.00 C ATOM 0 H LEU A 34 10.420 -10.578 0.052 1.00 0.00 H new ATOM 0 HA LEU A 34 9.463 -9.725 -2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.247 -9.923 -0.214 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.026 -8.427 0.261 1.00 0.00 H new ATOM 0 HG LEU A 34 7.992 -7.482 -1.924 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.840 -8.444 -2.538 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.213 -9.517 -2.899 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.178 -9.841 -1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.969 -6.852 -0.730 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.334 -8.079 0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 34 7.438 -6.705 0.263 1.00 0.00 H new ATOM 526 N MET A 35 11.310 -7.706 -0.700 1.00 0.00 N ATOM 527 CA MET A 35 12.062 -6.476 -0.592 1.00 0.00 C ATOM 528 C MET A 35 13.102 -6.394 -1.686 1.00 0.00 C ATOM 529 O MET A 35 13.501 -5.321 -2.116 1.00 0.00 O ATOM 530 CB MET A 35 12.695 -6.469 0.778 1.00 0.00 C ATOM 531 CG MET A 35 13.289 -5.178 1.223 1.00 0.00 C ATOM 532 SD MET A 35 13.794 -5.273 2.943 1.00 0.00 S ATOM 533 CE MET A 35 12.215 -5.661 3.747 1.00 0.00 C ATOM 0 H MET A 35 11.416 -8.304 0.119 1.00 0.00 H new ATOM 0 HA MET A 35 11.417 -5.606 -0.712 1.00 0.00 H new ATOM 0 HB2 MET A 35 11.940 -6.767 1.505 1.00 0.00 H new ATOM 0 HB3 MET A 35 13.475 -7.230 0.798 1.00 0.00 H new ATOM 0 HG2 MET A 35 14.149 -4.933 0.599 1.00 0.00 H new ATOM 0 HG3 MET A 35 12.563 -4.375 1.095 1.00 0.00 H new ATOM 0 HE1 MET A 35 12.349 -5.664 4.829 1.00 0.00 H new ATOM 0 HE2 MET A 35 11.474 -4.910 3.475 1.00 0.00 H new ATOM 0 HE3 MET A 35 11.872 -6.643 3.421 1.00 0.00 H new ATOM 543 N HIS A 36 13.561 -7.546 -2.106 1.00 0.00 N ATOM 544 CA HIS A 36 14.499 -7.632 -3.194 1.00 0.00 C ATOM 545 C HIS A 36 13.785 -7.676 -4.549 1.00 0.00 C ATOM 546 O HIS A 36 14.370 -7.342 -5.568 1.00 0.00 O ATOM 547 CB HIS A 36 15.424 -8.846 -3.038 1.00 0.00 C ATOM 548 CG HIS A 36 16.431 -8.738 -1.916 1.00 0.00 C ATOM 549 ND1 HIS A 36 17.697 -9.270 -1.986 1.00 0.00 N ATOM 550 CD2 HIS A 36 16.345 -8.173 -0.688 1.00 0.00 C ATOM 551 CE1 HIS A 36 18.335 -9.037 -0.862 1.00 0.00 C ATOM 552 NE2 HIS A 36 17.539 -8.374 -0.059 1.00 0.00 N ATOM 0 H HIS A 36 13.296 -8.446 -1.705 1.00 0.00 H new ATOM 0 HA HIS A 36 15.110 -6.730 -3.162 1.00 0.00 H new ATOM 0 HB2 HIS A 36 14.812 -9.732 -2.873 1.00 0.00 H new ATOM 0 HB3 HIS A 36 15.960 -8.999 -3.975 1.00 0.00 H new ATOM 0 HD2 HIS A 36 15.488 -7.657 -0.281 1.00 0.00 H new ATOM 0 HE1 HIS A 36 19.347 -9.341 -0.637 1.00 0.00 H new ATOM 0 HE2 HIS A 36 17.774 -8.060 0.882 1.00 0.00 H new ATOM 561 N HIS A 37 12.522 -8.071 -4.564 1.00 0.00 N ATOM 562 CA HIS A 37 11.788 -8.195 -5.828 1.00 0.00 C ATOM 563 C HIS A 37 10.807 -7.069 -6.096 1.00 0.00 C ATOM 564 O HIS A 37 10.202 -7.022 -7.167 1.00 0.00 O ATOM 565 CB HIS A 37 11.082 -9.539 -5.952 1.00 0.00 C ATOM 566 CG HIS A 37 12.002 -10.684 -6.233 1.00 0.00 C ATOM 567 ND1 HIS A 37 12.544 -10.934 -7.472 1.00 0.00 N ATOM 568 CD2 HIS A 37 12.487 -11.640 -5.424 1.00 0.00 C ATOM 569 CE1 HIS A 37 13.315 -11.993 -7.406 1.00 0.00 C ATOM 570 NE2 HIS A 37 13.298 -12.439 -6.174 1.00 0.00 N ATOM 0 H HIS A 37 11.983 -8.310 -3.731 1.00 0.00 H new ATOM 0 HA HIS A 37 12.561 -8.124 -6.593 1.00 0.00 H new ATOM 0 HB2 HIS A 37 10.540 -9.740 -5.028 1.00 0.00 H new ATOM 0 HB3 HIS A 37 10.341 -9.477 -6.749 1.00 0.00 H new ATOM 0 HD2 HIS A 37 12.274 -11.755 -4.372 1.00 0.00 H new ATOM 0 HE1 HIS A 37 13.869 -12.424 -8.227 1.00 0.00 H new ATOM 0 HE2 HIS A 37 13.809 -13.253 -5.831 1.00 0.00 H new ATOM 579 N VAL A 38 10.639 -6.185 -5.155 1.00 0.00 N ATOM 580 CA VAL A 38 9.719 -5.082 -5.320 1.00 0.00 C ATOM 581 C VAL A 38 10.362 -3.805 -4.773 1.00 0.00 C ATOM 582 O VAL A 38 11.328 -3.873 -4.012 1.00 0.00 O ATOM 583 CB VAL A 38 8.339 -5.373 -4.622 1.00 0.00 C ATOM 584 CG1 VAL A 38 8.421 -5.360 -3.127 1.00 0.00 C ATOM 585 CG2 VAL A 38 7.272 -4.443 -5.102 1.00 0.00 C ATOM 0 H VAL A 38 11.127 -6.202 -4.259 1.00 0.00 H new ATOM 0 HA VAL A 38 9.511 -4.950 -6.382 1.00 0.00 H new ATOM 0 HB VAL A 38 8.068 -6.388 -4.913 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.437 -5.567 -2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 38 9.125 -6.122 -2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.761 -4.381 -2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.334 -4.674 -4.598 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.559 -3.415 -4.881 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.144 -4.560 -6.178 1.00 0.00 H new ATOM 595 N LYS A 39 9.867 -2.661 -5.195 1.00 0.00 N ATOM 596 CA LYS A 39 10.374 -1.387 -4.728 1.00 0.00 C ATOM 597 C LYS A 39 9.718 -1.026 -3.415 1.00 0.00 C ATOM 598 O LYS A 39 10.372 -0.942 -2.393 1.00 0.00 O ATOM 599 CB LYS A 39 10.097 -0.316 -5.782 1.00 0.00 C ATOM 600 CG LYS A 39 10.445 1.118 -5.384 1.00 0.00 C ATOM 601 CD LYS A 39 10.095 2.044 -6.525 1.00 0.00 C ATOM 602 CE LYS A 39 10.028 3.502 -6.121 1.00 0.00 C ATOM 603 NZ LYS A 39 11.331 4.111 -5.756 1.00 0.00 N ATOM 0 H LYS A 39 9.105 -2.587 -5.869 1.00 0.00 H new ATOM 0 HA LYS A 39 11.450 -1.454 -4.568 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.655 -0.568 -6.684 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.039 -0.354 -6.041 1.00 0.00 H new ATOM 0 HG2 LYS A 39 9.897 1.403 -4.486 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.506 1.196 -5.148 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.835 1.928 -7.317 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.133 1.746 -6.942 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.595 4.072 -6.943 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.349 3.598 -5.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.190 4.801 -4.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.984 3.368 -5.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.734 4.592 -6.585 1.00 0.00 H new ATOM 617 N ASN A 40 8.434 -0.814 -3.468 1.00 0.00 N ATOM 618 CA ASN A 40 7.631 -0.477 -2.339 1.00 0.00 C ATOM 619 C ASN A 40 6.175 -0.687 -2.756 1.00 0.00 C ATOM 620 O ASN A 40 5.932 -1.214 -3.857 1.00 0.00 O ATOM 621 CB ASN A 40 7.862 1.001 -1.954 1.00 0.00 C ATOM 622 CG ASN A 40 7.196 1.393 -0.648 1.00 0.00 C ATOM 623 OD1 ASN A 40 7.059 0.593 0.260 1.00 0.00 O ATOM 624 ND2 ASN A 40 6.708 2.570 -0.601 1.00 0.00 N ATOM 0 H ASN A 40 7.902 -0.875 -4.336 1.00 0.00 H new ATOM 0 HA ASN A 40 7.884 -1.094 -1.477 1.00 0.00 H new ATOM 0 HB2 ASN A 40 8.933 1.186 -1.877 1.00 0.00 H new ATOM 0 HB3 ASN A 40 7.485 1.640 -2.752 1.00 0.00 H new ATOM 0 HD21 ASN A 40 6.181 2.871 0.218 1.00 0.00 H new ATOM 0 HD22 ASN A 40 6.845 3.211 -1.383 1.00 0.00 H new ATOM 631 N ILE A 41 5.264 -0.253 -1.894 1.00 0.00 N ATOM 632 CA ILE A 41 3.802 -0.240 -2.027 1.00 0.00 C ATOM 633 C ILE A 41 3.313 -0.190 -3.485 1.00 0.00 C ATOM 634 O ILE A 41 2.561 -1.060 -3.898 1.00 0.00 O ATOM 635 CB ILE A 41 3.273 1.024 -1.315 1.00 0.00 C ATOM 636 CG1 ILE A 41 3.671 1.028 0.165 1.00 0.00 C ATOM 637 CG2 ILE A 41 1.749 1.158 -1.464 1.00 0.00 C ATOM 638 CD1 ILE A 41 3.309 2.305 0.895 1.00 0.00 C ATOM 0 H ILE A 41 5.552 0.137 -0.997 1.00 0.00 H new ATOM 0 HA ILE A 41 3.432 -1.168 -1.591 1.00 0.00 H new ATOM 0 HB ILE A 41 3.733 1.886 -1.797 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.188 0.187 0.663 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.747 0.869 0.242 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.411 2.058 -0.951 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.491 1.224 -2.521 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.263 0.286 -1.026 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.623 2.230 1.936 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.813 3.149 0.424 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.230 2.456 0.851 1.00 0.00 H new ATOM 650 N ALA A 42 3.748 0.836 -4.254 1.00 0.00 N ATOM 651 CA ALA A 42 3.303 0.991 -5.660 1.00 0.00 C ATOM 652 C ALA A 42 3.507 -0.256 -6.498 1.00 0.00 C ATOM 653 O ALA A 42 2.568 -0.767 -7.089 1.00 0.00 O ATOM 654 CB ALA A 42 3.963 2.182 -6.320 1.00 0.00 C ATOM 0 H ALA A 42 4.395 1.557 -3.933 1.00 0.00 H new ATOM 0 HA ALA A 42 2.228 1.164 -5.610 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.615 2.267 -7.349 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.705 3.090 -5.774 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.045 2.049 -6.313 1.00 0.00 H new ATOM 660 N GLU A 43 4.708 -0.770 -6.497 1.00 0.00 N ATOM 661 CA GLU A 43 5.025 -1.924 -7.297 1.00 0.00 C ATOM 662 C GLU A 43 4.445 -3.164 -6.667 1.00 0.00 C ATOM 663 O GLU A 43 4.057 -4.067 -7.356 1.00 0.00 O ATOM 664 CB GLU A 43 6.528 -2.037 -7.476 1.00 0.00 C ATOM 665 CG GLU A 43 7.170 -0.778 -8.046 1.00 0.00 C ATOM 666 CD GLU A 43 6.518 -0.317 -9.328 1.00 0.00 C ATOM 667 OE1 GLU A 43 6.517 -1.068 -10.313 1.00 0.00 O ATOM 668 OE2 GLU A 43 6.039 0.827 -9.382 1.00 0.00 O ATOM 0 H GLU A 43 5.487 -0.406 -5.948 1.00 0.00 H new ATOM 0 HA GLU A 43 4.580 -1.813 -8.286 1.00 0.00 H new ATOM 0 HB2 GLU A 43 6.984 -2.263 -6.512 1.00 0.00 H new ATOM 0 HB3 GLU A 43 6.745 -2.877 -8.136 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.112 0.021 -7.307 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.228 -0.966 -8.229 1.00 0.00 H new ATOM 675 N LEU A 44 4.364 -3.178 -5.348 1.00 0.00 N ATOM 676 CA LEU A 44 3.761 -4.283 -4.618 1.00 0.00 C ATOM 677 C LEU A 44 2.296 -4.465 -5.031 1.00 0.00 C ATOM 678 O LEU A 44 1.837 -5.575 -5.270 1.00 0.00 O ATOM 679 CB LEU A 44 3.864 -4.035 -3.106 1.00 0.00 C ATOM 680 CG LEU A 44 3.141 -5.035 -2.202 1.00 0.00 C ATOM 681 CD1 LEU A 44 3.652 -6.442 -2.438 1.00 0.00 C ATOM 682 CD2 LEU A 44 3.307 -4.644 -0.749 1.00 0.00 C ATOM 0 H LEU A 44 4.713 -2.427 -4.753 1.00 0.00 H new ATOM 0 HA LEU A 44 4.302 -5.198 -4.861 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.919 -4.028 -2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.473 -3.040 -2.896 1.00 0.00 H new ATOM 0 HG LEU A 44 2.079 -5.016 -2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.123 -7.136 -1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.481 -6.722 -3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.720 -6.482 -2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.788 -5.364 -0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.367 -4.635 -0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 44 2.887 -3.651 -0.589 1.00 0.00 H new ATOM 694 N ALA A 45 1.592 -3.359 -5.150 1.00 0.00 N ATOM 695 CA ALA A 45 0.212 -3.379 -5.527 1.00 0.00 C ATOM 696 C ALA A 45 0.065 -3.526 -7.034 1.00 0.00 C ATOM 697 O ALA A 45 -1.013 -3.840 -7.533 1.00 0.00 O ATOM 698 CB ALA A 45 -0.488 -2.135 -5.018 1.00 0.00 C ATOM 0 H ALA A 45 1.969 -2.425 -4.986 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.264 -4.245 -5.068 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.537 -2.162 -5.311 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -0.416 -2.096 -3.931 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.015 -1.251 -5.445 1.00 0.00 H new ATOM 704 N ALA A 46 1.155 -3.299 -7.744 1.00 0.00 N ATOM 705 CA ALA A 46 1.173 -3.443 -9.180 1.00 0.00 C ATOM 706 C ALA A 46 1.453 -4.890 -9.564 1.00 0.00 C ATOM 707 O ALA A 46 1.135 -5.326 -10.684 1.00 0.00 O ATOM 708 CB ALA A 46 2.207 -2.510 -9.803 1.00 0.00 C ATOM 0 H ALA A 46 2.046 -3.011 -7.340 1.00 0.00 H new ATOM 0 HA ALA A 46 0.192 -3.167 -9.566 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.204 -2.635 -10.886 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.961 -1.477 -9.556 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.196 -2.751 -9.413 1.00 0.00 H new ATOM 714 N LEU A 47 2.053 -5.625 -8.645 1.00 0.00 N ATOM 715 CA LEU A 47 2.370 -7.015 -8.864 1.00 0.00 C ATOM 716 C LEU A 47 1.113 -7.897 -8.883 1.00 0.00 C ATOM 717 O LEU A 47 0.150 -7.654 -8.145 1.00 0.00 O ATOM 718 CB LEU A 47 3.340 -7.540 -7.798 1.00 0.00 C ATOM 719 CG LEU A 47 4.744 -6.945 -7.798 1.00 0.00 C ATOM 720 CD1 LEU A 47 5.546 -7.482 -6.627 1.00 0.00 C ATOM 721 CD2 LEU A 47 5.459 -7.245 -9.106 1.00 0.00 C ATOM 0 H LEU A 47 2.332 -5.271 -7.730 1.00 0.00 H new ATOM 0 HA LEU A 47 2.846 -7.070 -9.843 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.896 -7.365 -6.818 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.428 -8.620 -7.920 1.00 0.00 H new ATOM 0 HG LEU A 47 4.654 -5.863 -7.696 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.546 -7.048 -6.641 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.049 -7.218 -5.694 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.620 -8.567 -6.704 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.458 -6.811 -9.082 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.536 -8.324 -9.240 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.896 -6.816 -9.935 1.00 0.00 H new ATOM 733 N SER A 48 1.128 -8.903 -9.726 1.00 0.00 N ATOM 734 CA SER A 48 0.057 -9.867 -9.801 1.00 0.00 C ATOM 735 C SER A 48 0.217 -10.876 -8.659 1.00 0.00 C ATOM 736 O SER A 48 1.327 -11.025 -8.108 1.00 0.00 O ATOM 737 CB SER A 48 0.129 -10.576 -11.156 1.00 0.00 C ATOM 738 OG SER A 48 0.253 -9.627 -12.205 1.00 0.00 O ATOM 0 H SER A 48 1.889 -9.076 -10.383 1.00 0.00 H new ATOM 0 HA SER A 48 -0.911 -9.376 -9.706 1.00 0.00 H new ATOM 0 HB2 SER A 48 0.979 -11.258 -11.172 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.767 -11.179 -11.306 1.00 0.00 H new ATOM 0 HG SER A 48 0.300 -10.094 -13.065 1.00 0.00 H new ATOM 744 N GLN A 49 -0.861 -11.586 -8.317 1.00 0.00 N ATOM 745 CA GLN A 49 -0.828 -12.572 -7.238 1.00 0.00 C ATOM 746 C GLN A 49 0.217 -13.635 -7.534 1.00 0.00 C ATOM 747 O GLN A 49 0.943 -14.059 -6.657 1.00 0.00 O ATOM 748 CB GLN A 49 -2.185 -13.249 -7.065 1.00 0.00 C ATOM 749 CG GLN A 49 -2.196 -14.247 -5.921 1.00 0.00 C ATOM 750 CD GLN A 49 -3.441 -15.092 -5.868 1.00 0.00 C ATOM 751 OE1 GLN A 49 -4.533 -14.654 -6.244 1.00 0.00 O ATOM 752 NE2 GLN A 49 -3.289 -16.312 -5.430 1.00 0.00 N ATOM 0 H GLN A 49 -1.768 -11.495 -8.774 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.576 -12.046 -6.317 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.946 -12.489 -6.887 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.453 -13.759 -7.990 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.328 -14.900 -6.012 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.093 -13.708 -4.979 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.370 -16.635 -5.129 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.090 -16.943 -5.389 1.00 0.00 H new ATOM 761 N ASP A 50 0.311 -14.004 -8.794 1.00 0.00 N ATOM 762 CA ASP A 50 1.251 -15.036 -9.245 1.00 0.00 C ATOM 763 C ASP A 50 2.696 -14.625 -9.005 1.00 0.00 C ATOM 764 O ASP A 50 3.569 -15.468 -8.773 1.00 0.00 O ATOM 765 CB ASP A 50 1.038 -15.367 -10.728 1.00 0.00 C ATOM 766 CG ASP A 50 -0.279 -16.052 -11.003 1.00 0.00 C ATOM 767 OD1 ASP A 50 -1.318 -15.377 -11.048 1.00 0.00 O ATOM 768 OD2 ASP A 50 -0.294 -17.298 -11.186 1.00 0.00 O ATOM 0 H ASP A 50 -0.256 -13.604 -9.542 1.00 0.00 H new ATOM 0 HA ASP A 50 1.050 -15.930 -8.654 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.090 -14.447 -11.310 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.851 -16.007 -11.071 1.00 0.00 H new ATOM 773 N GLU A 51 2.951 -13.332 -9.050 1.00 0.00 N ATOM 774 CA GLU A 51 4.284 -12.818 -8.827 1.00 0.00 C ATOM 775 C GLU A 51 4.587 -12.948 -7.353 1.00 0.00 C ATOM 776 O GLU A 51 5.684 -13.325 -6.956 1.00 0.00 O ATOM 777 CB GLU A 51 4.390 -11.358 -9.277 1.00 0.00 C ATOM 778 CG GLU A 51 3.782 -11.092 -10.648 1.00 0.00 C ATOM 779 CD GLU A 51 4.321 -11.981 -11.750 1.00 0.00 C ATOM 780 OE1 GLU A 51 3.854 -13.125 -11.901 1.00 0.00 O ATOM 781 OE2 GLU A 51 5.199 -11.542 -12.501 1.00 0.00 O ATOM 0 H GLU A 51 2.248 -12.617 -9.240 1.00 0.00 H new ATOM 0 HA GLU A 51 5.007 -13.386 -9.412 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.895 -10.724 -8.541 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.441 -11.068 -9.293 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.702 -11.224 -10.586 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.961 -10.051 -10.916 1.00 0.00 H new ATOM 788 N LEU A 52 3.568 -12.689 -6.546 1.00 0.00 N ATOM 789 CA LEU A 52 3.671 -12.819 -5.112 1.00 0.00 C ATOM 790 C LEU A 52 3.911 -14.269 -4.749 1.00 0.00 C ATOM 791 O LEU A 52 4.708 -14.555 -3.900 1.00 0.00 O ATOM 792 CB LEU A 52 2.417 -12.295 -4.397 1.00 0.00 C ATOM 793 CG LEU A 52 2.057 -10.828 -4.622 1.00 0.00 C ATOM 794 CD1 LEU A 52 0.830 -10.451 -3.813 1.00 0.00 C ATOM 795 CD2 LEU A 52 3.233 -9.922 -4.287 1.00 0.00 C ATOM 0 H LEU A 52 2.651 -12.384 -6.873 1.00 0.00 H new ATOM 0 HA LEU A 52 4.513 -12.211 -4.780 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.569 -12.904 -4.709 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.546 -12.453 -3.326 1.00 0.00 H new ATOM 0 HG LEU A 52 1.823 -10.691 -5.678 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.588 -9.402 -3.986 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.012 -11.072 -4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.031 -10.607 -2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.951 -8.883 -4.456 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.511 -10.058 -3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.081 -10.176 -4.923 1.00 0.00 H new ATOM 807 N THR A 53 3.240 -15.181 -5.425 1.00 0.00 N ATOM 808 CA THR A 53 3.438 -16.600 -5.190 1.00 0.00 C ATOM 809 C THR A 53 4.886 -16.995 -5.502 1.00 0.00 C ATOM 810 O THR A 53 5.452 -17.841 -4.844 1.00 0.00 O ATOM 811 CB THR A 53 2.484 -17.433 -6.051 1.00 0.00 C ATOM 812 OG1 THR A 53 1.162 -16.896 -5.927 1.00 0.00 O ATOM 813 CG2 THR A 53 2.463 -18.885 -5.590 1.00 0.00 C ATOM 0 H THR A 53 2.550 -14.965 -6.144 1.00 0.00 H new ATOM 0 HA THR A 53 3.228 -16.799 -4.139 1.00 0.00 H new ATOM 0 HB THR A 53 2.825 -17.396 -7.086 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.543 -17.421 -6.476 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.778 -19.456 -6.217 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.465 -19.307 -5.670 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.131 -18.933 -4.553 1.00 0.00 H new ATOM 821 N SER A 54 5.481 -16.338 -6.470 1.00 0.00 N ATOM 822 CA SER A 54 6.850 -16.624 -6.839 1.00 0.00 C ATOM 823 C SER A 54 7.821 -16.082 -5.764 1.00 0.00 C ATOM 824 O SER A 54 8.787 -16.747 -5.380 1.00 0.00 O ATOM 825 CB SER A 54 7.162 -16.033 -8.228 1.00 0.00 C ATOM 826 OG SER A 54 8.441 -16.442 -8.698 1.00 0.00 O ATOM 0 H SER A 54 5.039 -15.600 -7.018 1.00 0.00 H new ATOM 0 HA SER A 54 6.985 -17.704 -6.896 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.396 -16.347 -8.937 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.124 -14.945 -8.178 1.00 0.00 H new ATOM 0 HG SER A 54 8.605 -16.051 -9.581 1.00 0.00 H new ATOM 832 N ILE A 55 7.530 -14.893 -5.273 1.00 0.00 N ATOM 833 CA ILE A 55 8.354 -14.217 -4.278 1.00 0.00 C ATOM 834 C ILE A 55 8.219 -14.859 -2.892 1.00 0.00 C ATOM 835 O ILE A 55 9.219 -15.147 -2.212 1.00 0.00 O ATOM 836 CB ILE A 55 7.938 -12.731 -4.176 1.00 0.00 C ATOM 837 CG1 ILE A 55 8.178 -12.015 -5.514 1.00 0.00 C ATOM 838 CG2 ILE A 55 8.687 -12.035 -3.046 1.00 0.00 C ATOM 839 CD1 ILE A 55 7.623 -10.607 -5.578 1.00 0.00 C ATOM 0 H ILE A 55 6.707 -14.360 -5.554 1.00 0.00 H new ATOM 0 HA ILE A 55 9.391 -14.305 -4.601 1.00 0.00 H new ATOM 0 HB ILE A 55 6.873 -12.687 -3.949 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.250 -11.979 -5.706 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.731 -12.606 -6.314 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.378 -10.991 -2.994 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.460 -12.529 -2.101 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.759 -12.087 -3.234 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.837 -10.176 -6.556 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.545 -10.633 -5.421 1.00 0.00 H new ATOM 0 HD13 ILE A 55 8.088 -9.997 -4.803 1.00 0.00 H new ATOM 851 N LEU A 56 6.993 -15.044 -2.471 1.00 0.00 N ATOM 852 CA LEU A 56 6.698 -15.553 -1.151 1.00 0.00 C ATOM 853 C LEU A 56 6.869 -17.060 -1.141 1.00 0.00 C ATOM 854 O LEU A 56 7.342 -17.643 -0.162 1.00 0.00 O ATOM 855 CB LEU A 56 5.262 -15.174 -0.729 1.00 0.00 C ATOM 856 CG LEU A 56 4.769 -13.746 -1.091 1.00 0.00 C ATOM 857 CD1 LEU A 56 3.423 -13.484 -0.495 1.00 0.00 C ATOM 858 CD2 LEU A 56 5.738 -12.659 -0.684 1.00 0.00 C ATOM 0 H LEU A 56 6.167 -14.846 -3.035 1.00 0.00 H new ATOM 0 HA LEU A 56 7.390 -15.106 -0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.577 -15.892 -1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.185 -15.294 0.352 1.00 0.00 H new ATOM 0 HG LEU A 56 4.699 -13.716 -2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.097 -12.479 -0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.707 -14.211 -0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.482 -13.571 0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.333 -11.687 -0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.888 -12.691 0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.692 -12.815 -1.188 1.00 0.00 H new ATOM 870 N GLY A 57 6.508 -17.669 -2.247 1.00 0.00 N ATOM 871 CA GLY A 57 6.643 -19.094 -2.428 1.00 0.00 C ATOM 872 C GLY A 57 5.420 -19.858 -2.001 1.00 0.00 C ATOM 873 O GLY A 57 5.426 -21.092 -1.992 1.00 0.00 O ATOM 0 H GLY A 57 6.110 -17.185 -3.052 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.848 -19.304 -3.478 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.503 -19.447 -1.859 1.00 0.00 H new ATOM 877 N ASN A 58 4.362 -19.142 -1.647 1.00 0.00 N ATOM 878 CA ASN A 58 3.122 -19.786 -1.225 1.00 0.00 C ATOM 879 C ASN A 58 1.985 -19.007 -1.804 1.00 0.00 C ATOM 880 O ASN A 58 1.979 -17.768 -1.711 1.00 0.00 O ATOM 881 CB ASN A 58 2.925 -19.769 0.312 1.00 0.00 C ATOM 882 CG ASN A 58 4.189 -19.672 1.116 1.00 0.00 C ATOM 883 OD1 ASN A 58 4.826 -20.667 1.458 1.00 0.00 O ATOM 884 ND2 ASN A 58 4.522 -18.467 1.471 1.00 0.00 N ATOM 0 H ASN A 58 4.335 -18.122 -1.643 1.00 0.00 H new ATOM 0 HA ASN A 58 3.163 -20.822 -1.561 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.283 -18.927 0.571 1.00 0.00 H new ATOM 0 HB3 ASN A 58 2.395 -20.676 0.605 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.343 -18.317 2.058 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.963 -17.672 1.163 1.00 0.00 H new ATOM 891 N ALA A 59 1.020 -19.697 -2.360 1.00 0.00 N ATOM 892 CA ALA A 59 -0.156 -19.058 -2.916 1.00 0.00 C ATOM 893 C ALA A 59 -1.033 -18.528 -1.808 1.00 0.00 C ATOM 894 O ALA A 59 -1.803 -17.617 -2.021 1.00 0.00 O ATOM 895 CB ALA A 59 -0.947 -20.014 -3.784 1.00 0.00 C ATOM 0 H ALA A 59 1.023 -20.714 -2.442 1.00 0.00 H new ATOM 0 HA ALA A 59 0.179 -18.230 -3.541 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.822 -19.502 -4.185 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.321 -20.361 -4.606 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.268 -20.867 -3.187 1.00 0.00 H new ATOM 901 N ALA A 60 -0.882 -19.096 -0.616 1.00 0.00 N ATOM 902 CA ALA A 60 -1.644 -18.672 0.544 1.00 0.00 C ATOM 903 C ALA A 60 -1.305 -17.238 0.864 1.00 0.00 C ATOM 904 O ALA A 60 -2.159 -16.367 0.842 1.00 0.00 O ATOM 905 CB ALA A 60 -1.316 -19.548 1.731 1.00 0.00 C ATOM 0 H ALA A 60 -0.231 -19.859 -0.431 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.708 -18.759 0.326 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.894 -19.221 2.595 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -1.565 -20.583 1.499 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.252 -19.473 1.956 1.00 0.00 H new ATOM 911 N ASN A 61 -0.023 -17.001 1.078 1.00 0.00 N ATOM 912 CA ASN A 61 0.498 -15.682 1.406 1.00 0.00 C ATOM 913 C ASN A 61 0.183 -14.707 0.290 1.00 0.00 C ATOM 914 O ASN A 61 -0.239 -13.582 0.534 1.00 0.00 O ATOM 915 CB ASN A 61 2.019 -15.736 1.579 1.00 0.00 C ATOM 916 CG ASN A 61 2.558 -16.352 2.865 1.00 0.00 C ATOM 917 OD1 ASN A 61 1.809 -17.181 3.528 1.00 0.00 O flip ATOM 918 ND2 ASN A 61 3.666 -16.039 3.264 1.00 0.00 N flip ATOM 0 H ASN A 61 0.694 -17.725 1.029 1.00 0.00 H new ATOM 0 HA ASN A 61 0.031 -15.356 2.335 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.434 -16.293 0.739 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.402 -14.718 1.507 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.236 -15.386 2.726 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.023 -16.430 4.136 1.00 0.00 H new ATOM 925 N ALA A 62 0.353 -15.180 -0.939 1.00 0.00 N ATOM 926 CA ALA A 62 0.144 -14.383 -2.134 1.00 0.00 C ATOM 927 C ALA A 62 -1.298 -13.954 -2.264 1.00 0.00 C ATOM 928 O ALA A 62 -1.573 -12.806 -2.576 1.00 0.00 O ATOM 929 CB ALA A 62 0.551 -15.179 -3.347 1.00 0.00 C ATOM 0 H ALA A 62 0.643 -16.139 -1.132 1.00 0.00 H new ATOM 0 HA ALA A 62 0.757 -13.485 -2.057 1.00 0.00 H new ATOM 0 HB1 ALA A 62 0.394 -14.581 -4.244 1.00 0.00 H new ATOM 0 HB2 ALA A 62 1.605 -15.447 -3.269 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.051 -16.086 -3.406 1.00 0.00 H new ATOM 935 N LYS A 63 -2.216 -14.865 -1.983 1.00 0.00 N ATOM 936 CA LYS A 63 -3.614 -14.590 -2.125 1.00 0.00 C ATOM 937 C LYS A 63 -4.044 -13.642 -1.052 1.00 0.00 C ATOM 938 O LYS A 63 -4.748 -12.688 -1.323 1.00 0.00 O ATOM 939 CB LYS A 63 -4.434 -15.886 -2.087 1.00 0.00 C ATOM 940 CG LYS A 63 -5.940 -15.672 -2.092 1.00 0.00 C ATOM 941 CD LYS A 63 -6.682 -16.984 -1.997 1.00 0.00 C ATOM 942 CE LYS A 63 -8.183 -16.778 -1.973 1.00 0.00 C ATOM 943 NZ LYS A 63 -8.677 -16.168 -3.224 1.00 0.00 N ATOM 0 H LYS A 63 -2.003 -15.806 -1.653 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.792 -14.126 -3.095 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.163 -16.500 -2.946 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.161 -16.449 -1.194 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.221 -15.032 -1.256 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.232 -15.152 -3.004 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.415 -17.615 -2.844 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.373 -17.513 -1.095 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.678 -17.736 -1.817 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.448 -16.141 -1.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.716 -16.214 -3.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.374 -15.174 -3.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.290 -16.685 -4.039 1.00 0.00 H new ATOM 957 N GLN A 64 -3.559 -13.883 0.154 1.00 0.00 N ATOM 958 CA GLN A 64 -3.874 -13.050 1.297 1.00 0.00 C ATOM 959 C GLN A 64 -3.466 -11.613 1.059 1.00 0.00 C ATOM 960 O GLN A 64 -4.259 -10.679 1.289 1.00 0.00 O ATOM 961 CB GLN A 64 -3.213 -13.602 2.547 1.00 0.00 C ATOM 962 CG GLN A 64 -3.772 -14.944 2.966 1.00 0.00 C ATOM 963 CD GLN A 64 -3.158 -15.474 4.240 1.00 0.00 C ATOM 964 OE1 GLN A 64 -1.904 -15.216 4.430 1.00 0.00 O flip ATOM 965 NE2 GLN A 64 -3.808 -16.160 5.025 1.00 0.00 N flip ATOM 0 H GLN A 64 -2.936 -14.662 0.366 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.954 -13.063 1.441 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.141 -13.699 2.372 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.340 -12.891 3.363 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.850 -14.855 3.100 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.608 -15.664 2.165 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.795 -16.344 4.845 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -3.361 -16.545 5.857 1.00 0.00 H new ATOM 974 N LEU A 65 -2.268 -11.445 0.545 1.00 0.00 N ATOM 975 CA LEU A 65 -1.722 -10.144 0.279 1.00 0.00 C ATOM 976 C LEU A 65 -2.424 -9.486 -0.911 1.00 0.00 C ATOM 977 O LEU A 65 -2.938 -8.376 -0.789 1.00 0.00 O ATOM 978 CB LEU A 65 -0.211 -10.254 0.062 1.00 0.00 C ATOM 979 CG LEU A 65 0.553 -8.947 -0.135 1.00 0.00 C ATOM 980 CD1 LEU A 65 0.287 -7.995 1.018 1.00 0.00 C ATOM 981 CD2 LEU A 65 2.040 -9.233 -0.243 1.00 0.00 C ATOM 0 H LEU A 65 -1.646 -12.215 0.300 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.896 -9.500 1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.218 -10.773 0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.038 -10.883 -0.811 1.00 0.00 H new ATOM 0 HG LEU A 65 0.210 -8.476 -1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.840 -7.069 0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.780 -7.776 1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.610 -8.455 1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.581 -8.297 -0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.385 -9.718 0.670 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.223 -9.889 -1.094 1.00 0.00 H new ATOM 993 N TYR A 66 -2.503 -10.204 -2.035 1.00 0.00 N ATOM 994 CA TYR A 66 -3.141 -9.698 -3.261 1.00 0.00 C ATOM 995 C TYR A 66 -4.584 -9.257 -2.998 1.00 0.00 C ATOM 996 O TYR A 66 -5.046 -8.195 -3.497 1.00 0.00 O ATOM 997 CB TYR A 66 -3.102 -10.782 -4.356 1.00 0.00 C ATOM 998 CG TYR A 66 -3.867 -10.447 -5.617 1.00 0.00 C ATOM 999 CD1 TYR A 66 -3.287 -9.700 -6.625 1.00 0.00 C ATOM 1000 CD2 TYR A 66 -5.178 -10.877 -5.789 1.00 0.00 C ATOM 1001 CE1 TYR A 66 -3.992 -9.388 -7.770 1.00 0.00 C ATOM 1002 CE2 TYR A 66 -5.886 -10.566 -6.920 1.00 0.00 C ATOM 1003 CZ TYR A 66 -5.293 -9.823 -7.907 1.00 0.00 C ATOM 1004 OH TYR A 66 -6.010 -9.498 -9.032 1.00 0.00 O ATOM 0 H TYR A 66 -2.129 -11.149 -2.124 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.585 -8.824 -3.600 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -2.062 -10.972 -4.620 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -3.501 -11.709 -3.943 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.269 -9.356 -6.515 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -5.647 -11.468 -5.016 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.528 -8.807 -8.553 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -6.905 -10.904 -7.033 1.00 0.00 H new ATOM 0 HH TYR A 66 -6.909 -9.884 -8.970 1.00 0.00 H new ATOM 1014 N ASP A 67 -5.279 -10.056 -2.226 1.00 0.00 N ATOM 1015 CA ASP A 67 -6.660 -9.800 -1.873 1.00 0.00 C ATOM 1016 C ASP A 67 -6.768 -8.583 -0.985 1.00 0.00 C ATOM 1017 O ASP A 67 -7.648 -7.756 -1.179 1.00 0.00 O ATOM 1018 CB ASP A 67 -7.270 -11.032 -1.208 1.00 0.00 C ATOM 1019 CG ASP A 67 -8.680 -10.843 -0.728 1.00 0.00 C ATOM 1020 OD1 ASP A 67 -9.611 -10.782 -1.561 1.00 0.00 O ATOM 1021 OD2 ASP A 67 -8.886 -10.840 0.497 1.00 0.00 O ATOM 0 H ASP A 67 -4.901 -10.912 -1.819 1.00 0.00 H new ATOM 0 HA ASP A 67 -7.223 -9.593 -2.783 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.248 -11.860 -1.916 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.646 -11.319 -0.362 1.00 0.00 H new ATOM 1026 N PHE A 68 -5.833 -8.431 -0.056 1.00 0.00 N ATOM 1027 CA PHE A 68 -5.824 -7.278 0.838 1.00 0.00 C ATOM 1028 C PHE A 68 -5.566 -5.991 0.047 1.00 0.00 C ATOM 1029 O PHE A 68 -6.110 -4.953 0.358 1.00 0.00 O ATOM 1030 CB PHE A 68 -4.770 -7.459 1.933 1.00 0.00 C ATOM 1031 CG PHE A 68 -4.724 -6.337 2.941 1.00 0.00 C ATOM 1032 CD1 PHE A 68 -5.788 -6.122 3.808 1.00 0.00 C ATOM 1033 CD2 PHE A 68 -3.617 -5.506 3.030 1.00 0.00 C ATOM 1034 CE1 PHE A 68 -5.750 -5.101 4.738 1.00 0.00 C ATOM 1035 CE2 PHE A 68 -3.575 -4.483 3.959 1.00 0.00 C ATOM 1036 CZ PHE A 68 -4.642 -4.280 4.814 1.00 0.00 C ATOM 0 H PHE A 68 -5.071 -9.091 0.099 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.802 -7.199 1.313 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.964 -8.395 2.457 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.790 -7.553 1.466 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.657 -6.762 3.754 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.779 -5.660 2.366 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.585 -4.945 5.404 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.708 -3.842 4.017 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.609 -3.481 5.540 1.00 0.00 H new ATOM 1046 N ILE A 69 -4.746 -6.104 -0.983 1.00 0.00 N ATOM 1047 CA ILE A 69 -4.412 -5.002 -1.894 1.00 0.00 C ATOM 1048 C ILE A 69 -5.637 -4.557 -2.733 1.00 0.00 C ATOM 1049 O ILE A 69 -5.787 -3.361 -3.106 1.00 0.00 O ATOM 1050 CB ILE A 69 -3.255 -5.438 -2.830 1.00 0.00 C ATOM 1051 CG1 ILE A 69 -1.981 -5.683 -2.013 1.00 0.00 C ATOM 1052 CG2 ILE A 69 -3.003 -4.422 -3.934 1.00 0.00 C ATOM 1053 CD1 ILE A 69 -0.860 -6.295 -2.808 1.00 0.00 C ATOM 0 H ILE A 69 -4.279 -6.979 -1.222 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.100 -4.148 -1.293 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.550 -6.369 -3.314 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.642 -4.736 -1.593 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.218 -6.337 -1.174 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.185 -4.767 -4.566 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -3.904 -4.308 -4.537 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.739 -3.462 -3.491 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.007 -6.439 -2.163 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.180 -7.258 -3.206 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.594 -5.632 -3.632 1.00 0.00 H new ATOM 1065 N HIS A 70 -6.500 -5.504 -3.035 1.00 0.00 N ATOM 1066 CA HIS A 70 -7.681 -5.232 -3.871 1.00 0.00 C ATOM 1067 C HIS A 70 -9.017 -5.084 -3.100 1.00 0.00 C ATOM 1068 O HIS A 70 -10.013 -4.652 -3.679 1.00 0.00 O ATOM 1069 CB HIS A 70 -7.797 -6.247 -5.012 1.00 0.00 C ATOM 1070 CG HIS A 70 -6.772 -6.037 -6.086 1.00 0.00 C ATOM 1071 ND1 HIS A 70 -5.500 -6.570 -6.048 1.00 0.00 N ATOM 1072 CD2 HIS A 70 -6.832 -5.306 -7.222 1.00 0.00 C ATOM 1073 CE1 HIS A 70 -4.831 -6.161 -7.120 1.00 0.00 C ATOM 1074 NE2 HIS A 70 -5.621 -5.401 -7.836 1.00 0.00 N ATOM 0 H HIS A 70 -6.418 -6.471 -2.721 1.00 0.00 H new ATOM 0 HA HIS A 70 -7.502 -4.243 -4.292 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.692 -7.254 -4.608 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.793 -6.182 -5.450 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -5.133 -7.179 -5.316 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.686 -4.748 -7.578 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.809 -6.413 -7.360 1.00 0.00 H new ATOM 1083 N THR A 71 -9.029 -5.411 -1.827 1.00 0.00 N ATOM 1084 CA THR A 71 -10.237 -5.295 -1.006 1.00 0.00 C ATOM 1085 C THR A 71 -10.592 -3.828 -0.682 1.00 0.00 C ATOM 1086 O THR A 71 -10.010 -3.229 0.202 1.00 0.00 O ATOM 1087 CB THR A 71 -10.103 -6.127 0.302 1.00 0.00 C ATOM 1088 OG1 THR A 71 -10.062 -7.526 -0.016 1.00 0.00 O ATOM 1089 CG2 THR A 71 -11.250 -5.867 1.266 1.00 0.00 C ATOM 0 H THR A 71 -8.214 -5.763 -1.325 1.00 0.00 H new ATOM 0 HA THR A 71 -11.058 -5.701 -1.597 1.00 0.00 H new ATOM 0 HB THR A 71 -9.178 -5.820 0.790 1.00 0.00 H new ATOM 0 HG1 THR A 71 -9.309 -7.703 -0.618 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.114 -6.469 2.164 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.266 -4.811 1.536 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.193 -6.134 0.790 1.00 0.00 H new ATOM 1097 N SER A 72 -11.546 -3.283 -1.427 1.00 0.00 N ATOM 1098 CA SER A 72 -12.009 -1.911 -1.260 1.00 0.00 C ATOM 1099 C SER A 72 -12.469 -1.653 0.179 1.00 0.00 C ATOM 1100 O SER A 72 -12.977 -2.570 0.880 1.00 0.00 O ATOM 1101 CB SER A 72 -13.171 -1.649 -2.231 1.00 0.00 C ATOM 1102 OG SER A 72 -13.690 -0.330 -2.112 1.00 0.00 O ATOM 0 H SER A 72 -12.025 -3.787 -2.173 1.00 0.00 H new ATOM 0 HA SER A 72 -11.181 -1.236 -1.476 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.830 -1.812 -3.254 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.968 -2.368 -2.042 1.00 0.00 H new ATOM 0 HG SER A 72 -12.956 0.317 -2.172 1.00 0.00 H new ATOM 1108 N PHE A 73 -12.334 -0.409 0.602 1.00 0.00 N ATOM 1109 CA PHE A 73 -12.718 0.023 1.945 1.00 0.00 C ATOM 1110 C PHE A 73 -14.231 -0.152 2.115 1.00 0.00 C ATOM 1111 O PHE A 73 -14.735 -0.307 3.223 1.00 0.00 O ATOM 1112 CB PHE A 73 -12.331 1.501 2.150 1.00 0.00 C ATOM 1113 CG PHE A 73 -10.989 1.849 1.556 1.00 0.00 C ATOM 1114 CD1 PHE A 73 -9.804 1.486 2.173 1.00 0.00 C ATOM 1115 CD2 PHE A 73 -10.925 2.508 0.338 1.00 0.00 C ATOM 1116 CE1 PHE A 73 -8.596 1.771 1.577 1.00 0.00 C ATOM 1117 CE2 PHE A 73 -9.722 2.805 -0.249 1.00 0.00 C ATOM 1118 CZ PHE A 73 -8.556 2.433 0.365 1.00 0.00 C ATOM 0 H PHE A 73 -11.953 0.340 0.023 1.00 0.00 H new ATOM 0 HA PHE A 73 -12.197 -0.581 2.687 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -13.095 2.136 1.702 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -12.318 1.722 3.217 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -9.827 0.977 3.125 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.841 2.793 -0.158 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -7.676 1.476 2.059 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.694 3.330 -1.192 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.606 2.657 -0.098 1.00 0.00 H new ATOM 1516 N GLY B 115 -9.905 -2.543 8.602 1.00 0.00 N ATOM 1517 CA GLY B 115 -8.603 -2.987 8.059 1.00 0.00 C ATOM 1518 C GLY B 115 -7.976 -2.028 7.038 1.00 0.00 C ATOM 1519 O GLY B 115 -7.018 -1.319 7.368 1.00 0.00 O ATOM 0 HA2 GLY B 115 -7.906 -3.122 8.886 1.00 0.00 H new ATOM 0 HA3 GLY B 115 -8.733 -3.962 7.590 1.00 0.00 H new ATOM 1523 N PRO B 116 -8.508 -1.957 5.808 1.00 0.00 N ATOM 1524 CA PRO B 116 -7.978 -1.058 4.774 1.00 0.00 C ATOM 1525 C PRO B 116 -8.292 0.443 5.056 1.00 0.00 C ATOM 1526 O PRO B 116 -7.519 1.327 4.683 1.00 0.00 O ATOM 1527 CB PRO B 116 -8.664 -1.556 3.495 1.00 0.00 C ATOM 1528 CG PRO B 116 -9.939 -2.151 3.972 1.00 0.00 C ATOM 1529 CD PRO B 116 -9.629 -2.772 5.305 1.00 0.00 C ATOM 0 HA PRO B 116 -6.890 -1.086 4.719 1.00 0.00 H new ATOM 0 HB2 PRO B 116 -8.843 -0.739 2.795 1.00 0.00 H new ATOM 0 HB3 PRO B 116 -8.051 -2.292 2.975 1.00 0.00 H new ATOM 0 HG2 PRO B 116 -10.714 -1.390 4.066 1.00 0.00 H new ATOM 0 HG3 PRO B 116 -10.309 -2.898 3.269 1.00 0.00 H new ATOM 0 HD2 PRO B 116 -10.487 -2.733 5.976 1.00 0.00 H new ATOM 0 HD3 PRO B 116 -9.350 -3.821 5.205 1.00 0.00 H new ATOM 1537 N GLN B 117 -9.395 0.707 5.754 1.00 0.00 N ATOM 1538 CA GLN B 117 -9.818 2.083 6.097 1.00 0.00 C ATOM 1539 C GLN B 117 -8.753 2.735 6.996 1.00 0.00 C ATOM 1540 O GLN B 117 -8.216 3.821 6.714 1.00 0.00 O ATOM 1541 CB GLN B 117 -11.153 2.018 6.854 1.00 0.00 C ATOM 1542 CG GLN B 117 -11.719 3.368 7.274 1.00 0.00 C ATOM 1543 CD GLN B 117 -12.911 3.224 8.203 1.00 0.00 C ATOM 1544 OE1 GLN B 117 -13.001 2.262 8.968 1.00 0.00 O ATOM 1545 NE2 GLN B 117 -13.818 4.162 8.159 1.00 0.00 N ATOM 0 H GLN B 117 -10.025 -0.016 6.101 1.00 0.00 H new ATOM 0 HA GLN B 117 -9.935 2.673 5.188 1.00 0.00 H new ATOM 0 HB2 GLN B 117 -11.886 1.513 6.225 1.00 0.00 H new ATOM 0 HB3 GLN B 117 -11.019 1.404 7.744 1.00 0.00 H new ATOM 0 HG2 GLN B 117 -10.941 3.948 7.771 1.00 0.00 H new ATOM 0 HG3 GLN B 117 -12.017 3.927 6.387 1.00 0.00 H new ATOM 0 HE21 GLN B 117 -13.712 4.944 7.513 1.00 0.00 H new ATOM 0 HE22 GLN B 117 -14.633 4.112 8.770 1.00 0.00 H new ATOM 1554 N ASP B 118 -8.436 2.023 8.045 1.00 0.00 N ATOM 1555 CA ASP B 118 -7.437 2.400 9.033 1.00 0.00 C ATOM 1556 C ASP B 118 -6.059 2.370 8.415 1.00 0.00 C ATOM 1557 O ASP B 118 -5.154 3.112 8.823 1.00 0.00 O ATOM 1558 CB ASP B 118 -7.516 1.461 10.241 1.00 0.00 C ATOM 1559 CG ASP B 118 -6.437 1.693 11.258 1.00 0.00 C ATOM 1560 OD1 ASP B 118 -6.505 2.692 12.002 1.00 0.00 O ATOM 1561 OD2 ASP B 118 -5.493 0.873 11.328 1.00 0.00 O ATOM 0 H ASP B 118 -8.879 1.128 8.250 1.00 0.00 H new ATOM 0 HA ASP B 118 -7.635 3.416 9.375 1.00 0.00 H new ATOM 0 HB2 ASP B 118 -8.487 1.582 10.721 1.00 0.00 H new ATOM 0 HB3 ASP B 118 -7.459 0.430 9.893 1.00 0.00 H new ATOM 1566 N PHE B 119 -5.908 1.514 7.407 1.00 0.00 N ATOM 1567 CA PHE B 119 -4.642 1.326 6.722 1.00 0.00 C ATOM 1568 C PHE B 119 -4.242 2.626 6.049 1.00 0.00 C ATOM 1569 O PHE B 119 -3.076 2.978 6.011 1.00 0.00 O ATOM 1570 CB PHE B 119 -4.777 0.209 5.700 1.00 0.00 C ATOM 1571 CG PHE B 119 -3.495 -0.378 5.229 1.00 0.00 C ATOM 1572 CD1 PHE B 119 -2.682 -1.058 6.119 1.00 0.00 C ATOM 1573 CD2 PHE B 119 -3.123 -0.305 3.900 1.00 0.00 C ATOM 1574 CE1 PHE B 119 -1.517 -1.655 5.697 1.00 0.00 C ATOM 1575 CE2 PHE B 119 -1.950 -0.896 3.474 1.00 0.00 C ATOM 1576 CZ PHE B 119 -1.151 -1.575 4.374 1.00 0.00 C ATOM 0 H PHE B 119 -6.664 0.933 7.045 1.00 0.00 H new ATOM 0 HA PHE B 119 -3.868 1.047 7.437 1.00 0.00 H new ATOM 0 HB2 PHE B 119 -5.384 -0.586 6.133 1.00 0.00 H new ATOM 0 HB3 PHE B 119 -5.321 0.592 4.837 1.00 0.00 H new ATOM 0 HD1 PHE B 119 -2.966 -1.121 7.159 1.00 0.00 H new ATOM 0 HD2 PHE B 119 -3.751 0.216 3.193 1.00 0.00 H new ATOM 0 HE1 PHE B 119 -0.893 -2.184 6.402 1.00 0.00 H new ATOM 0 HE2 PHE B 119 -1.657 -0.828 2.437 1.00 0.00 H new ATOM 0 HZ PHE B 119 -0.238 -2.043 4.038 1.00 0.00 H new ATOM 1586 N LEU B 120 -5.234 3.341 5.553 1.00 0.00 N ATOM 1587 CA LEU B 120 -5.030 4.645 4.957 1.00 0.00 C ATOM 1588 C LEU B 120 -4.696 5.646 6.024 1.00 0.00 C ATOM 1589 O LEU B 120 -3.708 6.334 5.945 1.00 0.00 O ATOM 1590 CB LEU B 120 -6.296 5.135 4.278 1.00 0.00 C ATOM 1591 CG LEU B 120 -6.867 4.285 3.181 1.00 0.00 C ATOM 1592 CD1 LEU B 120 -8.133 4.933 2.665 1.00 0.00 C ATOM 1593 CD2 LEU B 120 -5.858 4.106 2.064 1.00 0.00 C ATOM 0 H LEU B 120 -6.206 3.032 5.553 1.00 0.00 H new ATOM 0 HA LEU B 120 -4.222 4.549 4.232 1.00 0.00 H new ATOM 0 HB2 LEU B 120 -7.063 5.256 5.043 1.00 0.00 H new ATOM 0 HB3 LEU B 120 -6.096 6.125 3.867 1.00 0.00 H new ATOM 0 HG LEU B 120 -7.103 3.296 3.573 1.00 0.00 H new ATOM 0 HD11 LEU B 120 -8.555 4.322 1.867 1.00 0.00 H new ATOM 0 HD12 LEU B 120 -8.855 5.019 3.477 1.00 0.00 H new ATOM 0 HD13 LEU B 120 -7.902 5.926 2.278 1.00 0.00 H new ATOM 0 HD21 LEU B 120 -6.291 3.487 1.278 1.00 0.00 H new ATOM 0 HD22 LEU B 120 -5.593 5.080 1.654 1.00 0.00 H new ATOM 0 HD23 LEU B 120 -4.963 3.622 2.456 1.00 0.00 H new ATOM 1605 N LEU B 121 -5.528 5.688 7.047 1.00 0.00 N ATOM 1606 CA LEU B 121 -5.436 6.692 8.118 1.00 0.00 C ATOM 1607 C LEU B 121 -4.095 6.715 8.842 1.00 0.00 C ATOM 1608 O LEU B 121 -3.741 7.722 9.470 1.00 0.00 O ATOM 1609 CB LEU B 121 -6.552 6.496 9.114 1.00 0.00 C ATOM 1610 CG LEU B 121 -7.960 6.656 8.571 1.00 0.00 C ATOM 1611 CD1 LEU B 121 -8.959 6.211 9.602 1.00 0.00 C ATOM 1612 CD2 LEU B 121 -8.213 8.105 8.211 1.00 0.00 C ATOM 0 H LEU B 121 -6.295 5.027 7.170 1.00 0.00 H new ATOM 0 HA LEU B 121 -5.530 7.659 7.624 1.00 0.00 H new ATOM 0 HB2 LEU B 121 -6.460 5.498 9.542 1.00 0.00 H new ATOM 0 HB3 LEU B 121 -6.415 7.207 9.929 1.00 0.00 H new ATOM 0 HG LEU B 121 -8.066 6.041 7.678 1.00 0.00 H new ATOM 0 HD11 LEU B 121 -9.968 6.328 9.206 1.00 0.00 H new ATOM 0 HD12 LEU B 121 -8.786 5.163 9.848 1.00 0.00 H new ATOM 0 HD13 LEU B 121 -8.849 6.818 10.501 1.00 0.00 H new ATOM 0 HD21 LEU B 121 -9.226 8.212 7.822 1.00 0.00 H new ATOM 0 HD22 LEU B 121 -8.098 8.726 9.099 1.00 0.00 H new ATOM 0 HD23 LEU B 121 -7.498 8.422 7.452 1.00 0.00 H new ATOM 1624 N LYS B 122 -3.356 5.639 8.756 1.00 0.00 N ATOM 1625 CA LYS B 122 -2.076 5.567 9.413 1.00 0.00 C ATOM 1626 C LYS B 122 -0.955 6.038 8.503 1.00 0.00 C ATOM 1627 O LYS B 122 0.172 6.247 8.954 1.00 0.00 O ATOM 1628 CB LYS B 122 -1.802 4.165 9.899 1.00 0.00 C ATOM 1629 CG LYS B 122 -1.653 3.144 8.807 1.00 0.00 C ATOM 1630 CD LYS B 122 -1.277 1.785 9.355 1.00 0.00 C ATOM 1631 CE LYS B 122 -2.474 1.015 9.964 1.00 0.00 C ATOM 1632 NZ LYS B 122 -2.989 1.572 11.244 1.00 0.00 N ATOM 0 H LYS B 122 -3.618 4.801 8.238 1.00 0.00 H new ATOM 0 HA LYS B 122 -2.113 6.235 10.274 1.00 0.00 H new ATOM 0 HB2 LYS B 122 -0.891 4.173 10.498 1.00 0.00 H new ATOM 0 HB3 LYS B 122 -2.614 3.857 10.558 1.00 0.00 H new ATOM 0 HG2 LYS B 122 -2.588 3.066 8.252 1.00 0.00 H new ATOM 0 HG3 LYS B 122 -0.891 3.475 8.102 1.00 0.00 H new ATOM 0 HD2 LYS B 122 -0.839 1.188 8.555 1.00 0.00 H new ATOM 0 HD3 LYS B 122 -0.508 1.909 10.118 1.00 0.00 H new ATOM 0 HE2 LYS B 122 -3.286 1.001 9.237 1.00 0.00 H new ATOM 0 HE3 LYS B 122 -2.176 -0.020 10.129 1.00 0.00 H new ATOM 0 HZ1 LYS B 122 -2.879 0.866 11.999 1.00 0.00 H new ATOM 0 HZ2 LYS B 122 -2.453 2.429 11.490 1.00 0.00 H new ATOM 0 HZ3 LYS B 122 -3.995 1.812 11.138 1.00 0.00 H new ATOM 1646 N MET B 123 -1.264 6.229 7.239 1.00 0.00 N ATOM 1647 CA MET B 123 -0.266 6.620 6.266 1.00 0.00 C ATOM 1648 C MET B 123 0.039 8.109 6.416 1.00 0.00 C ATOM 1649 O MET B 123 -0.881 8.911 6.667 1.00 0.00 O ATOM 1650 CB MET B 123 -0.756 6.374 4.836 1.00 0.00 C ATOM 1651 CG MET B 123 -1.191 4.957 4.516 1.00 0.00 C ATOM 1652 SD MET B 123 -1.680 4.813 2.782 1.00 0.00 S ATOM 1653 CE MET B 123 -2.148 3.096 2.659 1.00 0.00 C ATOM 0 H MET B 123 -2.204 6.119 6.859 1.00 0.00 H new ATOM 0 HA MET B 123 0.626 6.020 6.446 1.00 0.00 H new ATOM 0 HB2 MET B 123 -1.594 7.043 4.640 1.00 0.00 H new ATOM 0 HB3 MET B 123 0.042 6.652 4.147 1.00 0.00 H new ATOM 0 HG2 MET B 123 -0.376 4.265 4.728 1.00 0.00 H new ATOM 0 HG3 MET B 123 -2.025 4.674 5.159 1.00 0.00 H new ATOM 0 HE1 MET B 123 -2.856 2.970 1.840 1.00 0.00 H new ATOM 0 HE2 MET B 123 -1.262 2.490 2.470 1.00 0.00 H new ATOM 0 HE3 MET B 123 -2.612 2.778 3.592 1.00 0.00 H new ATOM 1663 N PRO B 124 1.316 8.512 6.313 1.00 0.00 N ATOM 1664 CA PRO B 124 1.688 9.919 6.364 1.00 0.00 C ATOM 1665 C PRO B 124 1.120 10.658 5.161 1.00 0.00 C ATOM 1666 O PRO B 124 1.447 10.348 4.020 1.00 0.00 O ATOM 1667 CB PRO B 124 3.220 9.917 6.321 1.00 0.00 C ATOM 1668 CG PRO B 124 3.598 8.578 5.785 1.00 0.00 C ATOM 1669 CD PRO B 124 2.488 7.632 6.160 1.00 0.00 C ATOM 0 HA PRO B 124 1.302 10.420 7.252 1.00 0.00 H new ATOM 0 HB2 PRO B 124 3.596 10.716 5.683 1.00 0.00 H new ATOM 0 HB3 PRO B 124 3.641 10.076 7.314 1.00 0.00 H new ATOM 0 HG2 PRO B 124 3.725 8.616 4.703 1.00 0.00 H new ATOM 0 HG3 PRO B 124 4.547 8.247 6.206 1.00 0.00 H new ATOM 0 HD2 PRO B 124 2.326 6.879 5.389 1.00 0.00 H new ATOM 0 HD3 PRO B 124 2.712 7.098 7.084 1.00 0.00 H new ATOM 1677 N GLY B 125 0.258 11.596 5.423 1.00 0.00 N ATOM 1678 CA GLY B 125 -0.383 12.313 4.367 1.00 0.00 C ATOM 1679 C GLY B 125 -1.872 12.045 4.363 1.00 0.00 C ATOM 1680 O GLY B 125 -2.623 12.625 3.589 1.00 0.00 O ATOM 0 H GLY B 125 -0.016 11.881 6.363 1.00 0.00 H new ATOM 0 HA2 GLY B 125 -0.201 13.381 4.484 1.00 0.00 H new ATOM 0 HA3 GLY B 125 0.047 12.020 3.409 1.00 0.00 H new ATOM 1684 N VAL B 126 -2.304 11.166 5.228 1.00 0.00 N ATOM 1685 CA VAL B 126 -3.709 10.822 5.297 1.00 0.00 C ATOM 1686 C VAL B 126 -4.352 11.264 6.607 1.00 0.00 C ATOM 1687 O VAL B 126 -3.829 11.020 7.691 1.00 0.00 O ATOM 1688 CB VAL B 126 -3.962 9.306 5.073 1.00 0.00 C ATOM 1689 CG1 VAL B 126 -5.451 8.977 5.177 1.00 0.00 C ATOM 1690 CG2 VAL B 126 -3.426 8.871 3.721 1.00 0.00 C ATOM 0 H VAL B 126 -1.710 10.674 5.895 1.00 0.00 H new ATOM 0 HA VAL B 126 -4.180 11.370 4.481 1.00 0.00 H new ATOM 0 HB VAL B 126 -3.434 8.760 5.855 1.00 0.00 H new ATOM 0 HG11 VAL B 126 -5.600 7.909 5.016 1.00 0.00 H new ATOM 0 HG12 VAL B 126 -5.815 9.249 6.168 1.00 0.00 H new ATOM 0 HG13 VAL B 126 -6.001 9.538 4.421 1.00 0.00 H new ATOM 0 HG21 VAL B 126 -3.612 7.806 3.581 1.00 0.00 H new ATOM 0 HG22 VAL B 126 -3.927 9.433 2.933 1.00 0.00 H new ATOM 0 HG23 VAL B 126 -2.354 9.061 3.677 1.00 0.00 H new ATOM 1700 N ASN B 127 -5.483 11.925 6.472 1.00 0.00 N ATOM 1701 CA ASN B 127 -6.326 12.342 7.582 1.00 0.00 C ATOM 1702 C ASN B 127 -7.691 11.889 7.235 1.00 0.00 C ATOM 1703 O ASN B 127 -7.951 11.648 6.059 1.00 0.00 O ATOM 1704 CB ASN B 127 -6.364 13.856 7.752 1.00 0.00 C ATOM 1705 CG ASN B 127 -5.016 14.472 7.986 1.00 0.00 C ATOM 1706 OD1 ASN B 127 -4.424 14.950 6.950 1.00 0.00 O flip ATOM 1707 ND2 ASN B 127 -4.540 14.555 9.114 1.00 0.00 N flip ATOM 0 H ASN B 127 -5.855 12.197 5.562 1.00 0.00 H new ATOM 0 HA ASN B 127 -5.940 11.922 8.511 1.00 0.00 H new ATOM 0 HB2 ASN B 127 -6.807 14.301 6.861 1.00 0.00 H new ATOM 0 HB3 ASN B 127 -7.016 14.102 8.590 1.00 0.00 H new ATOM 0 HD21 ASN B 127 -5.043 14.162 9.910 1.00 0.00 H new ATOM 0 HD22 ASN B 127 -3.642 15.017 9.256 1.00 0.00 H new ATOM 1714 N ALA B 128 -8.578 11.825 8.202 1.00 0.00 N ATOM 1715 CA ALA B 128 -9.930 11.321 7.994 1.00 0.00 C ATOM 1716 C ALA B 128 -10.681 12.080 6.914 1.00 0.00 C ATOM 1717 O ALA B 128 -11.439 11.482 6.148 1.00 0.00 O ATOM 1718 CB ALA B 128 -10.713 11.317 9.294 1.00 0.00 C ATOM 0 H ALA B 128 -8.388 12.120 9.160 1.00 0.00 H new ATOM 0 HA ALA B 128 -9.829 10.294 7.643 1.00 0.00 H new ATOM 0 HB1 ALA B 128 -11.718 10.937 9.112 1.00 0.00 H new ATOM 0 HB2 ALA B 128 -10.209 10.679 10.020 1.00 0.00 H new ATOM 0 HB3 ALA B 128 -10.774 12.333 9.685 1.00 0.00 H new ATOM 1724 N LYS B 129 -10.395 13.362 6.774 1.00 0.00 N ATOM 1725 CA LYS B 129 -11.143 14.176 5.822 1.00 0.00 C ATOM 1726 C LYS B 129 -10.748 13.817 4.384 1.00 0.00 C ATOM 1727 O LYS B 129 -11.586 13.625 3.477 1.00 0.00 O ATOM 1728 CB LYS B 129 -10.951 15.681 6.103 1.00 0.00 C ATOM 1729 CG LYS B 129 -9.533 16.220 5.915 1.00 0.00 C ATOM 1730 CD LYS B 129 -9.516 17.725 6.062 1.00 0.00 C ATOM 1731 CE LYS B 129 -8.167 18.327 5.708 1.00 0.00 C ATOM 1732 NZ LYS B 129 -7.103 18.012 6.693 1.00 0.00 N ATOM 0 H LYS B 129 -9.669 13.857 7.292 1.00 0.00 H new ATOM 0 HA LYS B 129 -12.204 13.959 5.944 1.00 0.00 H new ATOM 0 HB2 LYS B 129 -11.621 16.241 5.451 1.00 0.00 H new ATOM 0 HB3 LYS B 129 -11.262 15.882 7.128 1.00 0.00 H new ATOM 0 HG2 LYS B 129 -8.866 15.769 6.650 1.00 0.00 H new ATOM 0 HG3 LYS B 129 -9.159 15.940 4.930 1.00 0.00 H new ATOM 0 HD2 LYS B 129 -10.284 18.158 5.421 1.00 0.00 H new ATOM 0 HD3 LYS B 129 -9.771 17.990 7.088 1.00 0.00 H new ATOM 0 HE2 LYS B 129 -7.862 17.964 4.727 1.00 0.00 H new ATOM 0 HE3 LYS B 129 -8.270 19.409 5.630 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 -6.210 18.452 6.392 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 -7.374 18.382 7.627 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 -6.978 16.981 6.752 1.00 0.00 H new ATOM 1746 N ASN B 130 -9.491 13.618 4.201 1.00 0.00 N ATOM 1747 CA ASN B 130 -8.984 13.335 2.907 1.00 0.00 C ATOM 1748 C ASN B 130 -8.978 11.854 2.632 1.00 0.00 C ATOM 1749 O ASN B 130 -8.857 11.427 1.508 1.00 0.00 O ATOM 1750 CB ASN B 130 -7.649 14.049 2.649 1.00 0.00 C ATOM 1751 CG ASN B 130 -6.562 13.861 3.705 1.00 0.00 C ATOM 1752 OD1 ASN B 130 -5.615 12.988 3.460 1.00 0.00 O flip ATOM 1753 ND2 ASN B 130 -6.555 14.555 4.722 1.00 0.00 N flip ATOM 0 H ASN B 130 -8.789 13.647 4.940 1.00 0.00 H new ATOM 0 HA ASN B 130 -9.664 13.755 2.166 1.00 0.00 H new ATOM 0 HB2 ASN B 130 -7.258 13.706 1.691 1.00 0.00 H new ATOM 0 HB3 ASN B 130 -7.846 15.116 2.548 1.00 0.00 H new ATOM 0 HD21 ASN B 130 -7.305 15.226 4.887 1.00 0.00 H new ATOM 0 HD22 ASN B 130 -5.799 14.459 5.400 1.00 0.00 H new ATOM 1760 N CYS B 131 -9.155 11.087 3.681 1.00 0.00 N ATOM 1761 CA CYS B 131 -9.318 9.652 3.598 1.00 0.00 C ATOM 1762 C CYS B 131 -10.684 9.332 3.059 1.00 0.00 C ATOM 1763 O CYS B 131 -10.812 8.521 2.192 1.00 0.00 O ATOM 1764 CB CYS B 131 -9.150 8.995 4.958 1.00 0.00 C ATOM 1765 SG CYS B 131 -9.396 7.207 4.985 1.00 0.00 S ATOM 0 H CYS B 131 -9.191 11.448 4.634 1.00 0.00 H new ATOM 0 HA CYS B 131 -8.548 9.263 2.932 1.00 0.00 H new ATOM 0 HB2 CYS B 131 -8.148 9.213 5.328 1.00 0.00 H new ATOM 0 HB3 CYS B 131 -9.853 9.453 5.654 1.00 0.00 H new ATOM 0 HG CYS B 131 -9.646 6.822 6.201 1.00 0.00 H new ATOM 1771 N ARG B 132 -11.714 9.995 3.579 1.00 0.00 N ATOM 1772 CA ARG B 132 -13.074 9.748 3.114 1.00 0.00 C ATOM 1773 C ARG B 132 -13.200 10.148 1.653 1.00 0.00 C ATOM 1774 O ARG B 132 -13.799 9.436 0.837 1.00 0.00 O ATOM 1775 CB ARG B 132 -14.096 10.475 3.995 1.00 0.00 C ATOM 1776 CG ARG B 132 -14.055 11.994 3.962 1.00 0.00 C ATOM 1777 CD ARG B 132 -15.182 12.560 3.093 1.00 0.00 C ATOM 1778 NE ARG B 132 -16.508 12.074 3.534 1.00 0.00 N ATOM 1779 CZ ARG B 132 -17.658 12.217 2.852 1.00 0.00 C ATOM 1780 NH1 ARG B 132 -17.684 12.895 1.712 1.00 0.00 N ATOM 1781 NH2 ARG B 132 -18.782 11.688 3.330 1.00 0.00 N ATOM 0 H ARG B 132 -11.634 10.699 4.313 1.00 0.00 H new ATOM 0 HA ARG B 132 -13.289 8.682 3.193 1.00 0.00 H new ATOM 0 HB2 ARG B 132 -15.094 10.153 3.698 1.00 0.00 H new ATOM 0 HB3 ARG B 132 -13.951 10.151 5.026 1.00 0.00 H new ATOM 0 HG2 ARG B 132 -14.143 12.385 4.976 1.00 0.00 H new ATOM 0 HG3 ARG B 132 -13.092 12.326 3.575 1.00 0.00 H new ATOM 0 HD2 ARG B 132 -15.161 13.649 3.134 1.00 0.00 H new ATOM 0 HD3 ARG B 132 -15.018 12.277 2.053 1.00 0.00 H new ATOM 0 HE ARG B 132 -16.554 11.590 4.431 1.00 0.00 H new ATOM 0 HH11 ARG B 132 -16.828 13.312 1.347 1.00 0.00 H new ATOM 0 HH12 ARG B 132 -18.560 12.999 1.200 1.00 0.00 H new ATOM 0 HH21 ARG B 132 -18.770 11.176 4.212 1.00 0.00 H new ATOM 0 HH22 ARG B 132 -19.656 11.795 2.814 1.00 0.00 H new ATOM 1795 N SER B 133 -12.601 11.267 1.330 1.00 0.00 N ATOM 1796 CA SER B 133 -12.546 11.735 -0.028 1.00 0.00 C ATOM 1797 C SER B 133 -11.791 10.697 -0.908 1.00 0.00 C ATOM 1798 O SER B 133 -12.230 10.318 -2.023 1.00 0.00 O ATOM 1799 CB SER B 133 -11.838 13.084 -0.027 1.00 0.00 C ATOM 1800 OG SER B 133 -12.515 14.010 0.833 1.00 0.00 O ATOM 0 H SER B 133 -12.138 11.878 2.003 1.00 0.00 H new ATOM 0 HA SER B 133 -13.546 11.853 -0.445 1.00 0.00 H new ATOM 0 HB2 SER B 133 -10.807 12.959 0.304 1.00 0.00 H new ATOM 0 HB3 SER B 133 -11.801 13.482 -1.041 1.00 0.00 H new ATOM 0 HG SER B 133 -12.205 13.888 1.754 1.00 0.00 H new ATOM 1806 N LEU B 134 -10.710 10.172 -0.350 1.00 0.00 N ATOM 1807 CA LEU B 134 -9.865 9.195 -1.036 1.00 0.00 C ATOM 1808 C LEU B 134 -10.648 7.937 -1.283 1.00 0.00 C ATOM 1809 O LEU B 134 -10.605 7.379 -2.328 1.00 0.00 O ATOM 1810 CB LEU B 134 -8.686 8.819 -0.176 1.00 0.00 C ATOM 1811 CG LEU B 134 -7.577 8.072 -0.893 1.00 0.00 C ATOM 1812 CD1 LEU B 134 -6.688 9.014 -1.686 1.00 0.00 C ATOM 1813 CD2 LEU B 134 -6.798 7.216 0.059 1.00 0.00 C ATOM 0 H LEU B 134 -10.391 10.408 0.590 1.00 0.00 H new ATOM 0 HA LEU B 134 -9.527 9.642 -1.971 1.00 0.00 H new ATOM 0 HB2 LEU B 134 -8.269 9.727 0.258 1.00 0.00 H new ATOM 0 HB3 LEU B 134 -9.041 8.204 0.651 1.00 0.00 H new ATOM 0 HG LEU B 134 -8.040 7.402 -1.618 1.00 0.00 H new ATOM 0 HD11 LEU B 134 -5.906 8.442 -2.185 1.00 0.00 H new ATOM 0 HD12 LEU B 134 -7.286 9.538 -2.431 1.00 0.00 H new ATOM 0 HD13 LEU B 134 -6.233 9.739 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU B 134 -6.010 6.693 -0.483 1.00 0.00 H new ATOM 0 HD22 LEU B 134 -6.352 7.843 0.831 1.00 0.00 H new ATOM 0 HD23 LEU B 134 -7.464 6.488 0.523 1.00 0.00 H new ATOM 1825 N MET B 135 -11.384 7.565 -0.298 1.00 0.00 N ATOM 1826 CA MET B 135 -12.189 6.368 -0.250 1.00 0.00 C ATOM 1827 C MET B 135 -13.245 6.388 -1.337 1.00 0.00 C ATOM 1828 O MET B 135 -13.687 5.352 -1.818 1.00 0.00 O ATOM 1829 CB MET B 135 -12.803 6.310 1.125 1.00 0.00 C ATOM 1830 CG MET B 135 -13.421 5.007 1.521 1.00 0.00 C ATOM 1831 SD MET B 135 -13.914 5.035 3.251 1.00 0.00 S ATOM 1832 CE MET B 135 -12.337 5.431 4.056 1.00 0.00 C ATOM 0 H MET B 135 -11.454 8.115 0.558 1.00 0.00 H new ATOM 0 HA MET B 135 -11.585 5.479 -0.429 1.00 0.00 H new ATOM 0 HB2 MET B 135 -12.032 6.559 1.854 1.00 0.00 H new ATOM 0 HB3 MET B 135 -13.567 7.085 1.192 1.00 0.00 H new ATOM 0 HG2 MET B 135 -14.289 4.805 0.894 1.00 0.00 H new ATOM 0 HG3 MET B 135 -12.712 4.197 1.353 1.00 0.00 H new ATOM 0 HE1 MET B 135 -12.470 5.430 5.138 1.00 0.00 H new ATOM 0 HE2 MET B 135 -11.591 4.685 3.782 1.00 0.00 H new ATOM 0 HE3 MET B 135 -12.001 6.416 3.733 1.00 0.00 H new ATOM 1842 N HIS B 136 -13.665 7.580 -1.695 1.00 0.00 N ATOM 1843 CA HIS B 136 -14.620 7.757 -2.775 1.00 0.00 C ATOM 1844 C HIS B 136 -13.923 7.799 -4.136 1.00 0.00 C ATOM 1845 O HIS B 136 -14.555 7.578 -5.162 1.00 0.00 O ATOM 1846 CB HIS B 136 -15.470 9.019 -2.579 1.00 0.00 C ATOM 1847 CG HIS B 136 -16.461 8.941 -1.451 1.00 0.00 C ATOM 1848 ND1 HIS B 136 -17.690 9.560 -1.474 1.00 0.00 N ATOM 1849 CD2 HIS B 136 -16.386 8.332 -0.249 1.00 0.00 C ATOM 1850 CE1 HIS B 136 -18.313 9.332 -0.342 1.00 0.00 C ATOM 1851 NE2 HIS B 136 -17.544 8.593 0.411 1.00 0.00 N ATOM 0 H HIS B 136 -13.361 8.448 -1.254 1.00 0.00 H new ATOM 0 HA HIS B 136 -15.284 6.893 -2.753 1.00 0.00 H new ATOM 0 HB2 HIS B 136 -14.805 9.864 -2.402 1.00 0.00 H new ATOM 0 HB3 HIS B 136 -16.009 9.225 -3.504 1.00 0.00 H new ATOM 0 HD2 HIS B 136 -15.558 7.745 0.120 1.00 0.00 H new ATOM 0 HE1 HIS B 136 -19.296 9.694 -0.078 1.00 0.00 H new ATOM 0 HE2 HIS B 136 -17.776 8.263 1.348 1.00 0.00 H new ATOM 1860 N HIS B 137 -12.628 8.093 -4.150 1.00 0.00 N ATOM 1861 CA HIS B 137 -11.880 8.157 -5.428 1.00 0.00 C ATOM 1862 C HIS B 137 -10.986 6.946 -5.666 1.00 0.00 C ATOM 1863 O HIS B 137 -10.450 6.765 -6.758 1.00 0.00 O ATOM 1864 CB HIS B 137 -11.023 9.419 -5.510 1.00 0.00 C ATOM 1865 CG HIS B 137 -11.782 10.673 -5.764 1.00 0.00 C ATOM 1866 ND1 HIS B 137 -12.532 11.440 -4.947 1.00 0.00 N flip ATOM 1867 CD2 HIS B 137 -11.795 11.297 -6.986 1.00 0.00 C flip ATOM 1868 CE1 HIS B 137 -12.974 12.495 -5.689 1.00 0.00 C flip ATOM 1869 NE2 HIS B 137 -12.517 12.385 -6.913 1.00 0.00 N flip ATOM 0 H HIS B 137 -12.072 8.289 -3.318 1.00 0.00 H new ATOM 0 HA HIS B 137 -12.645 8.171 -6.204 1.00 0.00 H new ATOM 0 HB2 HIS B 137 -10.471 9.528 -4.576 1.00 0.00 H new ATOM 0 HB3 HIS B 137 -10.286 9.290 -6.303 1.00 0.00 H new ATOM 0 HD1 HIS B 137 -12.731 11.264 -3.962 1.00 0.00 H new ATOM 0 HD2 HIS B 137 -11.287 10.944 -7.871 1.00 0.00 H new ATOM 0 HE1 HIS B 137 -13.602 13.295 -5.326 1.00 0.00 H new ATOM 1878 N VAL B 138 -10.816 6.143 -4.666 1.00 0.00 N ATOM 1879 CA VAL B 138 -9.887 5.032 -4.712 1.00 0.00 C ATOM 1880 C VAL B 138 -10.585 3.754 -4.275 1.00 0.00 C ATOM 1881 O VAL B 138 -11.343 3.760 -3.312 1.00 0.00 O ATOM 1882 CB VAL B 138 -8.651 5.306 -3.769 1.00 0.00 C ATOM 1883 CG1 VAL B 138 -7.689 4.148 -3.733 1.00 0.00 C ATOM 1884 CG2 VAL B 138 -7.898 6.551 -4.202 1.00 0.00 C ATOM 0 H VAL B 138 -11.316 6.230 -3.781 1.00 0.00 H new ATOM 0 HA VAL B 138 -9.532 4.921 -5.737 1.00 0.00 H new ATOM 0 HB VAL B 138 -9.061 5.449 -2.769 1.00 0.00 H new ATOM 0 HG11 VAL B 138 -6.857 4.387 -3.071 1.00 0.00 H new ATOM 0 HG12 VAL B 138 -8.202 3.260 -3.365 1.00 0.00 H new ATOM 0 HG13 VAL B 138 -7.310 3.958 -4.737 1.00 0.00 H new ATOM 0 HG21 VAL B 138 -7.052 6.715 -3.535 1.00 0.00 H new ATOM 0 HG22 VAL B 138 -7.536 6.421 -5.222 1.00 0.00 H new ATOM 0 HG23 VAL B 138 -8.565 7.412 -4.161 1.00 0.00 H new ATOM 1894 N LYS B 139 -10.345 2.683 -5.013 1.00 0.00 N ATOM 1895 CA LYS B 139 -10.862 1.357 -4.695 1.00 0.00 C ATOM 1896 C LYS B 139 -10.250 0.885 -3.394 1.00 0.00 C ATOM 1897 O LYS B 139 -10.942 0.685 -2.402 1.00 0.00 O ATOM 1898 CB LYS B 139 -10.484 0.402 -5.832 1.00 0.00 C ATOM 1899 CG LYS B 139 -10.794 -1.065 -5.608 1.00 0.00 C ATOM 1900 CD LYS B 139 -10.263 -1.889 -6.769 1.00 0.00 C ATOM 1901 CE LYS B 139 -10.379 -3.382 -6.524 1.00 0.00 C ATOM 1902 NZ LYS B 139 -11.773 -3.859 -6.454 1.00 0.00 N ATOM 0 H LYS B 139 -9.779 2.707 -5.861 1.00 0.00 H new ATOM 0 HA LYS B 139 -11.946 1.385 -4.587 1.00 0.00 H new ATOM 0 HB2 LYS B 139 -10.999 0.726 -6.736 1.00 0.00 H new ATOM 0 HB3 LYS B 139 -9.415 0.501 -6.021 1.00 0.00 H new ATOM 0 HG2 LYS B 139 -10.343 -1.403 -4.675 1.00 0.00 H new ATOM 0 HG3 LYS B 139 -11.870 -1.208 -5.512 1.00 0.00 H new ATOM 0 HD2 LYS B 139 -10.811 -1.629 -7.675 1.00 0.00 H new ATOM 0 HD3 LYS B 139 -9.218 -1.633 -6.944 1.00 0.00 H new ATOM 0 HE2 LYS B 139 -9.860 -3.915 -7.321 1.00 0.00 H new ATOM 0 HE3 LYS B 139 -9.871 -3.630 -5.592 1.00 0.00 H new ATOM 0 HZ1 LYS B 139 -11.781 -4.885 -6.285 1.00 0.00 H new ATOM 0 HZ2 LYS B 139 -12.266 -3.376 -5.676 1.00 0.00 H new ATOM 0 HZ3 LYS B 139 -12.256 -3.652 -7.351 1.00 0.00 H new ATOM 1916 N ASN B 140 -8.956 0.710 -3.422 1.00 0.00 N ATOM 1917 CA ASN B 140 -8.183 0.320 -2.301 1.00 0.00 C ATOM 1918 C ASN B 140 -6.731 0.616 -2.659 1.00 0.00 C ATOM 1919 O ASN B 140 -6.488 1.210 -3.721 1.00 0.00 O ATOM 1920 CB ASN B 140 -8.370 -1.181 -2.027 1.00 0.00 C ATOM 1921 CG ASN B 140 -7.736 -1.628 -0.726 1.00 0.00 C ATOM 1922 OD1 ASN B 140 -7.620 -0.872 0.217 1.00 0.00 O ATOM 1923 ND2 ASN B 140 -7.287 -2.816 -0.699 1.00 0.00 N ATOM 0 H ASN B 140 -8.400 0.844 -4.267 1.00 0.00 H new ATOM 0 HA ASN B 140 -8.485 0.857 -1.402 1.00 0.00 H new ATOM 0 HB2 ASN B 140 -9.435 -1.411 -2.003 1.00 0.00 H new ATOM 0 HB3 ASN B 140 -7.939 -1.751 -2.850 1.00 0.00 H new ATOM 0 HD21 ASN B 140 -6.811 -3.162 0.134 1.00 0.00 H new ATOM 0 HD22 ASN B 140 -7.403 -3.423 -1.510 1.00 0.00 H new ATOM 1930 N ILE B 141 -5.818 0.184 -1.797 1.00 0.00 N ATOM 1931 CA ILE B 141 -4.353 0.257 -1.902 1.00 0.00 C ATOM 1932 C ILE B 141 -3.845 0.344 -3.350 1.00 0.00 C ATOM 1933 O ILE B 141 -3.113 1.263 -3.683 1.00 0.00 O ATOM 1934 CB ILE B 141 -3.762 -1.022 -1.269 1.00 0.00 C ATOM 1935 CG1 ILE B 141 -4.155 -1.128 0.211 1.00 0.00 C ATOM 1936 CG2 ILE B 141 -2.232 -1.086 -1.434 1.00 0.00 C ATOM 1937 CD1 ILE B 141 -3.725 -2.419 0.870 1.00 0.00 C ATOM 0 H ILE B 141 -6.102 -0.267 -0.928 1.00 0.00 H new ATOM 0 HA ILE B 141 -4.039 1.167 -1.391 1.00 0.00 H new ATOM 0 HB ILE B 141 -4.184 -1.875 -1.801 1.00 0.00 H new ATOM 0 HG12 ILE B 141 -3.716 -0.291 0.754 1.00 0.00 H new ATOM 0 HG13 ILE B 141 -5.237 -1.031 0.297 1.00 0.00 H new ATOM 0 HG21 ILE B 141 -1.855 -2.000 -0.976 1.00 0.00 H new ATOM 0 HG22 ILE B 141 -1.980 -1.081 -2.494 1.00 0.00 H new ATOM 0 HG23 ILE B 141 -1.777 -0.222 -0.949 1.00 0.00 H new ATOM 0 HD11 ILE B 141 -4.039 -2.417 1.914 1.00 0.00 H new ATOM 0 HD12 ILE B 141 -4.185 -3.262 0.354 1.00 0.00 H new ATOM 0 HD13 ILE B 141 -2.640 -2.510 0.818 1.00 0.00 H new ATOM 1949 N ALA B 142 -4.253 -0.614 -4.195 1.00 0.00 N ATOM 1950 CA ALA B 142 -3.806 -0.658 -5.600 1.00 0.00 C ATOM 1951 C ALA B 142 -4.019 0.663 -6.361 1.00 0.00 C ATOM 1952 O ALA B 142 -3.106 1.165 -6.983 1.00 0.00 O ATOM 1953 CB ALA B 142 -4.446 -1.815 -6.329 1.00 0.00 C ATOM 0 H ALA B 142 -4.889 -1.367 -3.934 1.00 0.00 H new ATOM 0 HA ALA B 142 -2.727 -0.810 -5.569 1.00 0.00 H new ATOM 0 HB1 ALA B 142 -4.102 -1.828 -7.363 1.00 0.00 H new ATOM 0 HB2 ALA B 142 -4.168 -2.750 -5.842 1.00 0.00 H new ATOM 0 HB3 ALA B 142 -5.530 -1.703 -6.308 1.00 0.00 H new ATOM 1959 N GLU B 143 -5.209 1.228 -6.266 1.00 0.00 N ATOM 1960 CA GLU B 143 -5.532 2.487 -6.946 1.00 0.00 C ATOM 1961 C GLU B 143 -4.819 3.634 -6.285 1.00 0.00 C ATOM 1962 O GLU B 143 -4.401 4.545 -6.948 1.00 0.00 O ATOM 1963 CB GLU B 143 -7.028 2.736 -6.921 1.00 0.00 C ATOM 1964 CG GLU B 143 -7.853 1.740 -7.691 1.00 0.00 C ATOM 1965 CD GLU B 143 -7.548 1.740 -9.154 1.00 0.00 C ATOM 1966 OE1 GLU B 143 -7.941 2.683 -9.849 1.00 0.00 O ATOM 1967 OE2 GLU B 143 -6.960 0.768 -9.642 1.00 0.00 O ATOM 0 H GLU B 143 -5.979 0.838 -5.722 1.00 0.00 H new ATOM 0 HA GLU B 143 -5.203 2.410 -7.982 1.00 0.00 H new ATOM 0 HB2 GLU B 143 -7.363 2.738 -5.884 1.00 0.00 H new ATOM 0 HB3 GLU B 143 -7.222 3.731 -7.320 1.00 0.00 H new ATOM 0 HG2 GLU B 143 -7.678 0.742 -7.288 1.00 0.00 H new ATOM 0 HG3 GLU B 143 -8.910 1.962 -7.545 1.00 0.00 H new ATOM 1974 N LEU B 144 -4.664 3.563 -4.977 1.00 0.00 N ATOM 1975 CA LEU B 144 -3.957 4.600 -4.238 1.00 0.00 C ATOM 1976 C LEU B 144 -2.517 4.669 -4.692 1.00 0.00 C ATOM 1977 O LEU B 144 -2.002 5.733 -4.995 1.00 0.00 O ATOM 1978 CB LEU B 144 -4.026 4.337 -2.726 1.00 0.00 C ATOM 1979 CG LEU B 144 -3.185 5.258 -1.838 1.00 0.00 C ATOM 1980 CD1 LEU B 144 -3.529 6.714 -2.084 1.00 0.00 C ATOM 1981 CD2 LEU B 144 -3.399 4.911 -0.390 1.00 0.00 C ATOM 0 H LEU B 144 -5.017 2.799 -4.401 1.00 0.00 H new ATOM 0 HA LEU B 144 -4.439 5.556 -4.440 1.00 0.00 H new ATOM 0 HB2 LEU B 144 -5.067 4.416 -2.412 1.00 0.00 H new ATOM 0 HB3 LEU B 144 -3.715 3.308 -2.543 1.00 0.00 H new ATOM 0 HG LEU B 144 -2.135 5.112 -2.090 1.00 0.00 H new ATOM 0 HD11 LEU B 144 -2.917 7.346 -1.440 1.00 0.00 H new ATOM 0 HD12 LEU B 144 -3.335 6.963 -3.127 1.00 0.00 H new ATOM 0 HD13 LEU B 144 -4.583 6.882 -1.861 1.00 0.00 H new ATOM 0 HD21 LEU B 144 -2.797 5.571 0.235 1.00 0.00 H new ATOM 0 HD22 LEU B 144 -4.452 5.034 -0.138 1.00 0.00 H new ATOM 0 HD23 LEU B 144 -3.103 3.877 -0.216 1.00 0.00 H new ATOM 1993 N ALA B 145 -1.906 3.520 -4.795 1.00 0.00 N ATOM 1994 CA ALA B 145 -0.544 3.428 -5.195 1.00 0.00 C ATOM 1995 C ALA B 145 -0.387 3.629 -6.700 1.00 0.00 C ATOM 1996 O ALA B 145 0.725 3.810 -7.211 1.00 0.00 O ATOM 1997 CB ALA B 145 0.039 2.116 -4.737 1.00 0.00 C ATOM 0 H ALA B 145 -2.349 2.622 -4.601 1.00 0.00 H new ATOM 0 HA ALA B 145 0.014 4.233 -4.717 1.00 0.00 H new ATOM 0 HB1 ALA B 145 1.082 2.053 -5.047 1.00 0.00 H new ATOM 0 HB2 ALA B 145 -0.021 2.051 -3.651 1.00 0.00 H new ATOM 0 HB3 ALA B 145 -0.522 1.294 -5.181 1.00 0.00 H new ATOM 2003 N ALA B 146 -1.504 3.582 -7.402 1.00 0.00 N ATOM 2004 CA ALA B 146 -1.518 3.809 -8.823 1.00 0.00 C ATOM 2005 C ALA B 146 -1.722 5.286 -9.123 1.00 0.00 C ATOM 2006 O ALA B 146 -1.390 5.761 -10.219 1.00 0.00 O ATOM 2007 CB ALA B 146 -2.601 2.977 -9.493 1.00 0.00 C ATOM 0 H ALA B 146 -2.420 3.386 -6.999 1.00 0.00 H new ATOM 0 HA ALA B 146 -0.553 3.502 -9.226 1.00 0.00 H new ATOM 0 HB1 ALA B 146 -2.592 3.165 -10.567 1.00 0.00 H new ATOM 0 HB2 ALA B 146 -2.414 1.919 -9.309 1.00 0.00 H new ATOM 0 HB3 ALA B 146 -3.574 3.250 -9.085 1.00 0.00 H new ATOM 2013 N LEU B 147 -2.284 6.012 -8.172 1.00 0.00 N ATOM 2014 CA LEU B 147 -2.521 7.410 -8.369 1.00 0.00 C ATOM 2015 C LEU B 147 -1.253 8.255 -8.199 1.00 0.00 C ATOM 2016 O LEU B 147 -0.361 7.935 -7.410 1.00 0.00 O ATOM 2017 CB LEU B 147 -3.637 7.941 -7.476 1.00 0.00 C ATOM 2018 CG LEU B 147 -5.034 7.383 -7.736 1.00 0.00 C ATOM 2019 CD1 LEU B 147 -6.036 8.024 -6.806 1.00 0.00 C ATOM 2020 CD2 LEU B 147 -5.456 7.589 -9.183 1.00 0.00 C ATOM 0 H LEU B 147 -2.579 5.649 -7.266 1.00 0.00 H new ATOM 0 HA LEU B 147 -2.845 7.506 -9.405 1.00 0.00 H new ATOM 0 HB2 LEU B 147 -3.373 7.734 -6.439 1.00 0.00 H new ATOM 0 HB3 LEU B 147 -3.676 9.025 -7.585 1.00 0.00 H new ATOM 0 HG LEU B 147 -5.004 6.310 -7.545 1.00 0.00 H new ATOM 0 HD11 LEU B 147 -7.028 7.617 -7.003 1.00 0.00 H new ATOM 0 HD12 LEU B 147 -5.757 7.817 -5.773 1.00 0.00 H new ATOM 0 HD13 LEU B 147 -6.047 9.101 -6.970 1.00 0.00 H new ATOM 0 HD21 LEU B 147 -6.455 7.180 -9.332 1.00 0.00 H new ATOM 0 HD22 LEU B 147 -5.462 8.655 -9.412 1.00 0.00 H new ATOM 0 HD23 LEU B 147 -4.753 7.080 -9.843 1.00 0.00 H new ATOM 2032 N SER B 148 -1.194 9.330 -8.948 1.00 0.00 N ATOM 2033 CA SER B 148 -0.085 10.250 -8.914 1.00 0.00 C ATOM 2034 C SER B 148 -0.337 11.341 -7.849 1.00 0.00 C ATOM 2035 O SER B 148 -1.465 11.468 -7.336 1.00 0.00 O ATOM 2036 CB SER B 148 0.048 10.855 -10.304 1.00 0.00 C ATOM 2037 OG SER B 148 0.078 9.814 -11.275 1.00 0.00 O ATOM 0 H SER B 148 -1.926 9.593 -9.607 1.00 0.00 H new ATOM 0 HA SER B 148 0.840 9.741 -8.643 1.00 0.00 H new ATOM 0 HB2 SER B 148 -0.788 11.527 -10.501 1.00 0.00 H new ATOM 0 HB3 SER B 148 0.958 11.452 -10.367 1.00 0.00 H new ATOM 0 HG SER B 148 0.162 10.204 -12.170 1.00 0.00 H new ATOM 2043 N GLN B 149 0.691 12.149 -7.548 1.00 0.00 N ATOM 2044 CA GLN B 149 0.607 13.182 -6.522 1.00 0.00 C ATOM 2045 C GLN B 149 -0.404 14.238 -6.947 1.00 0.00 C ATOM 2046 O GLN B 149 -1.052 14.874 -6.110 1.00 0.00 O ATOM 2047 CB GLN B 149 1.976 13.820 -6.291 1.00 0.00 C ATOM 2048 CG GLN B 149 2.074 14.578 -4.986 1.00 0.00 C ATOM 2049 CD GLN B 149 3.418 15.208 -4.757 1.00 0.00 C ATOM 2050 OE1 GLN B 149 4.338 14.568 -4.248 1.00 0.00 O ATOM 2051 NE2 GLN B 149 3.527 16.461 -5.022 1.00 0.00 N ATOM 0 H GLN B 149 1.598 12.100 -8.011 1.00 0.00 H new ATOM 0 HA GLN B 149 0.281 12.728 -5.586 1.00 0.00 H new ATOM 0 HB2 GLN B 149 2.739 13.042 -6.308 1.00 0.00 H new ATOM 0 HB3 GLN B 149 2.195 14.500 -7.114 1.00 0.00 H new ATOM 0 HG2 GLN B 149 1.310 15.355 -4.968 1.00 0.00 H new ATOM 0 HG3 GLN B 149 1.856 13.898 -4.163 1.00 0.00 H new ATOM 0 HE21 GLN B 149 2.746 16.963 -5.444 1.00 0.00 H new ATOM 0 HE22 GLN B 149 4.395 16.953 -4.810 1.00 0.00 H new ATOM 2060 N ASP B 150 -0.549 14.393 -8.259 1.00 0.00 N ATOM 2061 CA ASP B 150 -1.542 15.298 -8.856 1.00 0.00 C ATOM 2062 C ASP B 150 -2.918 14.939 -8.375 1.00 0.00 C ATOM 2063 O ASP B 150 -3.677 15.795 -7.901 1.00 0.00 O ATOM 2064 CB ASP B 150 -1.537 15.201 -10.384 1.00 0.00 C ATOM 2065 CG ASP B 150 -0.326 15.793 -11.031 1.00 0.00 C ATOM 2066 OD1 ASP B 150 0.732 15.151 -11.023 1.00 0.00 O ATOM 2067 OD2 ASP B 150 -0.417 16.936 -11.544 1.00 0.00 O ATOM 0 H ASP B 150 0.018 13.896 -8.946 1.00 0.00 H new ATOM 0 HA ASP B 150 -1.279 16.312 -8.556 1.00 0.00 H new ATOM 0 HB2 ASP B 150 -1.612 14.152 -10.671 1.00 0.00 H new ATOM 0 HB3 ASP B 150 -2.424 15.702 -10.772 1.00 0.00 H new ATOM 2072 N GLU B 151 -3.203 13.657 -8.443 1.00 0.00 N ATOM 2073 CA GLU B 151 -4.487 13.116 -8.076 1.00 0.00 C ATOM 2074 C GLU B 151 -4.696 13.261 -6.588 1.00 0.00 C ATOM 2075 O GLU B 151 -5.764 13.659 -6.143 1.00 0.00 O ATOM 2076 CB GLU B 151 -4.575 11.647 -8.490 1.00 0.00 C ATOM 2077 CG GLU B 151 -4.301 11.416 -9.968 1.00 0.00 C ATOM 2078 CD GLU B 151 -5.207 12.232 -10.848 1.00 0.00 C ATOM 2079 OE1 GLU B 151 -6.363 11.830 -11.061 1.00 0.00 O ATOM 2080 OE2 GLU B 151 -4.782 13.321 -11.315 1.00 0.00 O ATOM 0 H GLU B 151 -2.537 12.953 -8.760 1.00 0.00 H new ATOM 0 HA GLU B 151 -5.271 13.668 -8.595 1.00 0.00 H new ATOM 0 HB2 GLU B 151 -3.863 11.069 -7.902 1.00 0.00 H new ATOM 0 HB3 GLU B 151 -5.569 11.269 -8.249 1.00 0.00 H new ATOM 0 HG2 GLU B 151 -3.263 11.666 -10.187 1.00 0.00 H new ATOM 0 HG3 GLU B 151 -4.429 10.358 -10.199 1.00 0.00 H new ATOM 2087 N LEU B 152 -3.652 12.989 -5.826 1.00 0.00 N ATOM 2088 CA LEU B 152 -3.710 13.106 -4.384 1.00 0.00 C ATOM 2089 C LEU B 152 -3.999 14.551 -3.973 1.00 0.00 C ATOM 2090 O LEU B 152 -4.813 14.792 -3.118 1.00 0.00 O ATOM 2091 CB LEU B 152 -2.416 12.606 -3.733 1.00 0.00 C ATOM 2092 CG LEU B 152 -2.009 11.157 -4.031 1.00 0.00 C ATOM 2093 CD1 LEU B 152 -0.738 10.797 -3.290 1.00 0.00 C ATOM 2094 CD2 LEU B 152 -3.132 10.184 -3.691 1.00 0.00 C ATOM 0 H LEU B 152 -2.748 12.683 -6.187 1.00 0.00 H new ATOM 0 HA LEU B 152 -4.526 12.476 -4.029 1.00 0.00 H new ATOM 0 HB2 LEU B 152 -1.602 13.259 -4.048 1.00 0.00 H new ATOM 0 HB3 LEU B 152 -2.514 12.717 -2.653 1.00 0.00 H new ATOM 0 HG LEU B 152 -1.817 11.076 -5.101 1.00 0.00 H new ATOM 0 HD11 LEU B 152 -0.466 9.766 -3.514 1.00 0.00 H new ATOM 0 HD12 LEU B 152 0.067 11.461 -3.604 1.00 0.00 H new ATOM 0 HD13 LEU B 152 -0.899 10.905 -2.217 1.00 0.00 H new ATOM 0 HD21 LEU B 152 -2.812 9.166 -3.914 1.00 0.00 H new ATOM 0 HD22 LEU B 152 -3.375 10.264 -2.631 1.00 0.00 H new ATOM 0 HD23 LEU B 152 -4.014 10.425 -4.284 1.00 0.00 H new ATOM 2106 N THR B 153 -3.369 15.509 -4.637 1.00 0.00 N ATOM 2107 CA THR B 153 -3.597 16.925 -4.335 1.00 0.00 C ATOM 2108 C THR B 153 -5.053 17.305 -4.658 1.00 0.00 C ATOM 2109 O THR B 153 -5.630 18.176 -4.030 1.00 0.00 O ATOM 2110 CB THR B 153 -2.637 17.850 -5.111 1.00 0.00 C ATOM 2111 OG1 THR B 153 -1.291 17.340 -5.018 1.00 0.00 O ATOM 2112 CG2 THR B 153 -2.656 19.261 -4.516 1.00 0.00 C ATOM 0 H THR B 153 -2.698 15.339 -5.386 1.00 0.00 H new ATOM 0 HA THR B 153 -3.402 17.063 -3.271 1.00 0.00 H new ATOM 0 HB THR B 153 -2.962 17.885 -6.151 1.00 0.00 H new ATOM 0 HG1 THR B 153 -1.216 16.517 -5.545 1.00 0.00 H new ATOM 0 HG21 THR B 153 -1.973 19.901 -5.075 1.00 0.00 H new ATOM 0 HG22 THR B 153 -3.666 19.668 -4.576 1.00 0.00 H new ATOM 0 HG23 THR B 153 -2.343 19.220 -3.473 1.00 0.00 H new ATOM 2120 N SER B 154 -5.624 16.645 -5.636 1.00 0.00 N ATOM 2121 CA SER B 154 -6.997 16.895 -6.020 1.00 0.00 C ATOM 2122 C SER B 154 -7.943 16.318 -4.950 1.00 0.00 C ATOM 2123 O SER B 154 -8.853 17.001 -4.468 1.00 0.00 O ATOM 2124 CB SER B 154 -7.278 16.267 -7.403 1.00 0.00 C ATOM 2125 OG SER B 154 -8.587 16.563 -7.865 1.00 0.00 O ATOM 0 H SER B 154 -5.157 15.924 -6.186 1.00 0.00 H new ATOM 0 HA SER B 154 -7.169 17.969 -6.093 1.00 0.00 H new ATOM 0 HB2 SER B 154 -6.547 16.635 -8.123 1.00 0.00 H new ATOM 0 HB3 SER B 154 -7.150 15.186 -7.343 1.00 0.00 H new ATOM 0 HG SER B 154 -8.725 16.150 -8.743 1.00 0.00 H new ATOM 2131 N ILE B 155 -7.676 15.083 -4.559 1.00 0.00 N ATOM 2132 CA ILE B 155 -8.490 14.358 -3.596 1.00 0.00 C ATOM 2133 C ILE B 155 -8.335 14.914 -2.188 1.00 0.00 C ATOM 2134 O ILE B 155 -9.319 15.206 -1.516 1.00 0.00 O ATOM 2135 CB ILE B 155 -8.089 12.868 -3.569 1.00 0.00 C ATOM 2136 CG1 ILE B 155 -8.332 12.219 -4.934 1.00 0.00 C ATOM 2137 CG2 ILE B 155 -8.850 12.127 -2.475 1.00 0.00 C ATOM 2138 CD1 ILE B 155 -7.781 10.814 -5.050 1.00 0.00 C ATOM 0 H ILE B 155 -6.879 14.549 -4.905 1.00 0.00 H new ATOM 0 HA ILE B 155 -9.527 14.472 -3.912 1.00 0.00 H new ATOM 0 HB ILE B 155 -7.024 12.803 -3.347 1.00 0.00 H new ATOM 0 HG12 ILE B 155 -9.404 12.196 -5.129 1.00 0.00 H new ATOM 0 HG13 ILE B 155 -7.881 12.841 -5.707 1.00 0.00 H new ATOM 0 HG21 ILE B 155 -8.553 11.078 -2.472 1.00 0.00 H new ATOM 0 HG22 ILE B 155 -8.620 12.572 -1.507 1.00 0.00 H new ATOM 0 HG23 ILE B 155 -9.921 12.201 -2.663 1.00 0.00 H new ATOM 0 HD11 ILE B 155 -7.992 10.421 -6.045 1.00 0.00 H new ATOM 0 HD12 ILE B 155 -6.703 10.831 -4.888 1.00 0.00 H new ATOM 0 HD13 ILE B 155 -8.250 10.176 -4.301 1.00 0.00 H new ATOM 2150 N LEU B 156 -7.104 15.041 -1.747 1.00 0.00 N ATOM 2151 CA LEU B 156 -6.826 15.450 -0.389 1.00 0.00 C ATOM 2152 C LEU B 156 -6.982 16.945 -0.279 1.00 0.00 C ATOM 2153 O LEU B 156 -7.270 17.475 0.788 1.00 0.00 O ATOM 2154 CB LEU B 156 -5.399 15.046 0.037 1.00 0.00 C ATOM 2155 CG LEU B 156 -4.888 13.642 -0.383 1.00 0.00 C ATOM 2156 CD1 LEU B 156 -3.567 13.364 0.261 1.00 0.00 C ATOM 2157 CD2 LEU B 156 -5.869 12.525 -0.072 1.00 0.00 C ATOM 0 H LEU B 156 -6.274 14.866 -2.314 1.00 0.00 H new ATOM 0 HA LEU B 156 -7.531 14.948 0.273 1.00 0.00 H new ATOM 0 HB2 LEU B 156 -4.708 15.787 -0.363 1.00 0.00 H new ATOM 0 HB3 LEU B 156 -5.343 15.112 1.124 1.00 0.00 H new ATOM 0 HG LEU B 156 -4.778 13.662 -1.467 1.00 0.00 H new ATOM 0 HD11 LEU B 156 -3.216 12.377 -0.039 1.00 0.00 H new ATOM 0 HD12 LEU B 156 -2.844 14.117 -0.052 1.00 0.00 H new ATOM 0 HD13 LEU B 156 -3.677 13.396 1.345 1.00 0.00 H new ATOM 0 HD21 LEU B 156 -5.448 11.572 -0.392 1.00 0.00 H new ATOM 0 HD22 LEU B 156 -6.059 12.496 1.001 1.00 0.00 H new ATOM 0 HD23 LEU B 156 -6.805 12.704 -0.602 1.00 0.00 H new ATOM 2169 N GLY B 157 -6.749 17.614 -1.394 1.00 0.00 N ATOM 2170 CA GLY B 157 -6.888 19.052 -1.480 1.00 0.00 C ATOM 2171 C GLY B 157 -5.692 19.769 -0.921 1.00 0.00 C ATOM 2172 O GLY B 157 -5.661 20.989 -0.858 1.00 0.00 O ATOM 0 H GLY B 157 -6.458 17.172 -2.266 1.00 0.00 H new ATOM 0 HA2 GLY B 157 -7.029 19.341 -2.522 1.00 0.00 H new ATOM 0 HA3 GLY B 157 -7.782 19.363 -0.939 1.00 0.00 H new ATOM 2176 N ASN B 158 -4.707 19.014 -0.500 1.00 0.00 N ATOM 2177 CA ASN B 158 -3.524 19.581 0.098 1.00 0.00 C ATOM 2178 C ASN B 158 -2.336 19.014 -0.608 1.00 0.00 C ATOM 2179 O ASN B 158 -2.266 17.791 -0.816 1.00 0.00 O ATOM 2180 CB ASN B 158 -3.401 19.128 1.551 1.00 0.00 C ATOM 2181 CG ASN B 158 -4.708 19.031 2.282 1.00 0.00 C ATOM 2182 OD1 ASN B 158 -4.840 17.972 2.990 1.00 0.00 O flip ATOM 2183 ND2 ASN B 158 -5.610 19.871 2.166 1.00 0.00 N flip ATOM 0 H ASN B 158 -4.702 17.996 -0.562 1.00 0.00 H new ATOM 0 HA ASN B 158 -3.580 20.668 0.033 1.00 0.00 H new ATOM 0 HB2 ASN B 158 -2.912 18.154 1.575 1.00 0.00 H new ATOM 0 HB3 ASN B 158 -2.752 19.824 2.082 1.00 0.00 H new ATOM 0 HD21 ASN B 158 -5.463 20.701 1.592 1.00 0.00 H new ATOM 0 HD22 ASN B 158 -6.500 19.733 2.645 1.00 0.00 H new ATOM 2190 N ALA B 159 -1.399 19.854 -0.945 1.00 0.00 N ATOM 2191 CA ALA B 159 -0.171 19.411 -1.560 1.00 0.00 C ATOM 2192 C ALA B 159 0.700 18.750 -0.518 1.00 0.00 C ATOM 2193 O ALA B 159 1.467 17.852 -0.825 1.00 0.00 O ATOM 2194 CB ALA B 159 0.577 20.569 -2.181 1.00 0.00 C ATOM 0 H ALA B 159 -1.460 20.862 -0.804 1.00 0.00 H new ATOM 0 HA ALA B 159 -0.418 18.700 -2.349 1.00 0.00 H new ATOM 0 HB1 ALA B 159 1.498 20.205 -2.637 1.00 0.00 H new ATOM 0 HB2 ALA B 159 -0.045 21.037 -2.944 1.00 0.00 H new ATOM 0 HB3 ALA B 159 0.818 21.301 -1.411 1.00 0.00 H new ATOM 2200 N ALA B 160 0.515 19.152 0.739 1.00 0.00 N ATOM 2201 CA ALA B 160 1.328 18.649 1.834 1.00 0.00 C ATOM 2202 C ALA B 160 1.049 17.190 2.032 1.00 0.00 C ATOM 2203 O ALA B 160 1.946 16.368 2.067 1.00 0.00 O ATOM 2204 CB ALA B 160 1.031 19.404 3.114 1.00 0.00 C ATOM 0 H ALA B 160 -0.195 19.828 1.020 1.00 0.00 H new ATOM 0 HA ALA B 160 2.379 18.793 1.584 1.00 0.00 H new ATOM 0 HB1 ALA B 160 1.650 19.011 3.920 1.00 0.00 H new ATOM 0 HB2 ALA B 160 1.249 20.462 2.971 1.00 0.00 H new ATOM 0 HB3 ALA B 160 -0.021 19.282 3.372 1.00 0.00 H new ATOM 2210 N ASN B 161 -0.218 16.877 2.105 1.00 0.00 N ATOM 2211 CA ASN B 161 -0.670 15.515 2.303 1.00 0.00 C ATOM 2212 C ASN B 161 -0.325 14.667 1.107 1.00 0.00 C ATOM 2213 O ASN B 161 0.137 13.544 1.246 1.00 0.00 O ATOM 2214 CB ASN B 161 -2.172 15.478 2.521 1.00 0.00 C ATOM 2215 CG ASN B 161 -2.656 15.912 3.890 1.00 0.00 C ATOM 2216 OD1 ASN B 161 -1.932 16.760 4.571 1.00 0.00 O flip ATOM 2217 ND2 ASN B 161 -3.703 15.484 4.317 1.00 0.00 N flip ATOM 0 H ASN B 161 -0.973 17.559 2.029 1.00 0.00 H new ATOM 0 HA ASN B 161 -0.167 15.119 3.186 1.00 0.00 H new ATOM 0 HB2 ASN B 161 -2.644 16.115 1.772 1.00 0.00 H new ATOM 0 HB3 ASN B 161 -2.520 14.461 2.340 1.00 0.00 H new ATOM 0 HD21 ASN B 161 -4.247 14.823 3.763 1.00 0.00 H new ATOM 0 HD22 ASN B 161 -4.042 15.784 5.231 1.00 0.00 H new ATOM 2224 N ALA B 162 -0.516 15.244 -0.071 1.00 0.00 N ATOM 2225 CA ALA B 162 -0.270 14.566 -1.323 1.00 0.00 C ATOM 2226 C ALA B 162 1.189 14.197 -1.458 1.00 0.00 C ATOM 2227 O ALA B 162 1.510 13.082 -1.832 1.00 0.00 O ATOM 2228 CB ALA B 162 -0.699 15.449 -2.481 1.00 0.00 C ATOM 0 H ALA B 162 -0.848 16.202 -0.179 1.00 0.00 H new ATOM 0 HA ALA B 162 -0.855 13.646 -1.339 1.00 0.00 H new ATOM 0 HB1 ALA B 162 -0.511 14.932 -3.422 1.00 0.00 H new ATOM 0 HB2 ALA B 162 -1.763 15.670 -2.395 1.00 0.00 H new ATOM 0 HB3 ALA B 162 -0.132 16.380 -2.459 1.00 0.00 H new ATOM 2234 N LYS B 163 2.060 15.115 -1.095 1.00 0.00 N ATOM 2235 CA LYS B 163 3.474 14.911 -1.233 1.00 0.00 C ATOM 2236 C LYS B 163 3.965 13.886 -0.222 1.00 0.00 C ATOM 2237 O LYS B 163 4.773 13.019 -0.554 1.00 0.00 O ATOM 2238 CB LYS B 163 4.211 16.255 -1.109 1.00 0.00 C ATOM 2239 CG LYS B 163 5.721 16.160 -1.180 1.00 0.00 C ATOM 2240 CD LYS B 163 6.370 17.513 -0.956 1.00 0.00 C ATOM 2241 CE LYS B 163 7.885 17.422 -1.038 1.00 0.00 C ATOM 2242 NZ LYS B 163 8.431 16.416 -0.100 1.00 0.00 N ATOM 0 H LYS B 163 1.802 16.018 -0.698 1.00 0.00 H new ATOM 0 HA LYS B 163 3.689 14.508 -2.223 1.00 0.00 H new ATOM 0 HB2 LYS B 163 3.865 16.918 -1.902 1.00 0.00 H new ATOM 0 HB3 LYS B 163 3.934 16.719 -0.162 1.00 0.00 H new ATOM 0 HG2 LYS B 163 6.079 15.454 -0.430 1.00 0.00 H new ATOM 0 HG3 LYS B 163 6.017 15.769 -2.153 1.00 0.00 H new ATOM 0 HD2 LYS B 163 6.006 18.221 -1.701 1.00 0.00 H new ATOM 0 HD3 LYS B 163 6.080 17.900 0.021 1.00 0.00 H new ATOM 0 HE2 LYS B 163 8.178 17.165 -2.056 1.00 0.00 H new ATOM 0 HE3 LYS B 163 8.319 18.397 -0.817 1.00 0.00 H new ATOM 0 HZ1 LYS B 163 9.459 16.546 -0.011 1.00 0.00 H new ATOM 0 HZ2 LYS B 163 7.985 16.533 0.832 1.00 0.00 H new ATOM 0 HZ3 LYS B 163 8.233 15.461 -0.461 1.00 0.00 H new ATOM 2256 N GLN B 164 3.425 13.954 0.989 1.00 0.00 N ATOM 2257 CA GLN B 164 3.786 13.019 2.046 1.00 0.00 C ATOM 2258 C GLN B 164 3.391 11.598 1.691 1.00 0.00 C ATOM 2259 O GLN B 164 4.180 10.646 1.877 1.00 0.00 O ATOM 2260 CB GLN B 164 3.160 13.427 3.382 1.00 0.00 C ATOM 2261 CG GLN B 164 3.686 14.735 3.916 1.00 0.00 C ATOM 2262 CD GLN B 164 3.298 14.969 5.356 1.00 0.00 C ATOM 2263 OE1 GLN B 164 4.022 14.593 6.273 1.00 0.00 O ATOM 2264 NE2 GLN B 164 2.161 15.568 5.568 1.00 0.00 N ATOM 0 H GLN B 164 2.732 14.651 1.263 1.00 0.00 H new ATOM 0 HA GLN B 164 4.871 13.052 2.149 1.00 0.00 H new ATOM 0 HB2 GLN B 164 2.079 13.501 3.261 1.00 0.00 H new ATOM 0 HB3 GLN B 164 3.345 12.643 4.116 1.00 0.00 H new ATOM 0 HG2 GLN B 164 4.772 14.749 3.829 1.00 0.00 H new ATOM 0 HG3 GLN B 164 3.307 15.553 3.303 1.00 0.00 H new ATOM 0 HE21 GLN B 164 1.587 15.866 4.779 1.00 0.00 H new ATOM 0 HE22 GLN B 164 1.845 15.739 6.523 1.00 0.00 H new ATOM 2273 N LEU B 165 2.202 11.464 1.154 1.00 0.00 N ATOM 2274 CA LEU B 165 1.658 10.183 0.799 1.00 0.00 C ATOM 2275 C LEU B 165 2.341 9.633 -0.449 1.00 0.00 C ATOM 2276 O LEU B 165 2.750 8.471 -0.478 1.00 0.00 O ATOM 2277 CB LEU B 165 0.143 10.305 0.612 1.00 0.00 C ATOM 2278 CG LEU B 165 -0.632 9.020 0.331 1.00 0.00 C ATOM 2279 CD1 LEU B 165 -0.389 7.988 1.421 1.00 0.00 C ATOM 2280 CD2 LEU B 165 -2.112 9.335 0.225 1.00 0.00 C ATOM 0 H LEU B 165 1.583 12.249 0.951 1.00 0.00 H new ATOM 0 HA LEU B 165 1.847 9.473 1.604 1.00 0.00 H new ATOM 0 HB2 LEU B 165 -0.273 10.760 1.511 1.00 0.00 H new ATOM 0 HB3 LEU B 165 -0.041 10.997 -0.210 1.00 0.00 H new ATOM 0 HG LEU B 165 -0.282 8.599 -0.612 1.00 0.00 H new ATOM 0 HD11 LEU B 165 -0.953 7.082 1.197 1.00 0.00 H new ATOM 0 HD12 LEU B 165 0.674 7.752 1.468 1.00 0.00 H new ATOM 0 HD13 LEU B 165 -0.714 8.389 2.381 1.00 0.00 H new ATOM 0 HD21 LEU B 165 -2.666 8.418 0.024 1.00 0.00 H new ATOM 0 HD22 LEU B 165 -2.459 9.771 1.162 1.00 0.00 H new ATOM 0 HD23 LEU B 165 -2.276 10.043 -0.587 1.00 0.00 H new ATOM 2292 N TYR B 166 2.515 10.487 -1.455 1.00 0.00 N ATOM 2293 CA TYR B 166 3.165 10.105 -2.709 1.00 0.00 C ATOM 2294 C TYR B 166 4.572 9.587 -2.450 1.00 0.00 C ATOM 2295 O TYR B 166 4.993 8.556 -3.037 1.00 0.00 O ATOM 2296 CB TYR B 166 3.194 11.293 -3.677 1.00 0.00 C ATOM 2297 CG TYR B 166 3.890 11.038 -4.995 1.00 0.00 C ATOM 2298 CD1 TYR B 166 3.239 10.387 -6.024 1.00 0.00 C ATOM 2299 CD2 TYR B 166 5.198 11.463 -5.207 1.00 0.00 C ATOM 2300 CE1 TYR B 166 3.864 10.160 -7.226 1.00 0.00 C ATOM 2301 CE2 TYR B 166 5.832 11.241 -6.409 1.00 0.00 C ATOM 2302 CZ TYR B 166 5.160 10.589 -7.416 1.00 0.00 C ATOM 2303 OH TYR B 166 5.786 10.358 -8.618 1.00 0.00 O ATOM 0 H TYR B 166 2.211 11.460 -1.426 1.00 0.00 H new ATOM 0 HA TYR B 166 2.588 9.301 -3.166 1.00 0.00 H new ATOM 0 HB2 TYR B 166 2.168 11.599 -3.881 1.00 0.00 H new ATOM 0 HB3 TYR B 166 3.685 12.131 -3.182 1.00 0.00 H new ATOM 0 HD1 TYR B 166 2.223 10.051 -5.882 1.00 0.00 H new ATOM 0 HD2 TYR B 166 5.725 11.976 -4.416 1.00 0.00 H new ATOM 0 HE1 TYR B 166 3.341 9.647 -8.020 1.00 0.00 H new ATOM 0 HE2 TYR B 166 6.848 11.576 -6.559 1.00 0.00 H new ATOM 0 HH TYR B 166 6.695 10.724 -8.589 1.00 0.00 H new ATOM 2313 N ASP B 167 5.284 10.289 -1.579 1.00 0.00 N ATOM 2314 CA ASP B 167 6.620 9.901 -1.149 1.00 0.00 C ATOM 2315 C ASP B 167 6.584 8.532 -0.507 1.00 0.00 C ATOM 2316 O ASP B 167 7.335 7.643 -0.892 1.00 0.00 O ATOM 2317 CB ASP B 167 7.187 10.927 -0.155 1.00 0.00 C ATOM 2318 CG ASP B 167 8.485 10.481 0.498 1.00 0.00 C ATOM 2319 OD1 ASP B 167 9.571 10.737 -0.054 1.00 0.00 O ATOM 2320 OD2 ASP B 167 8.429 9.885 1.606 1.00 0.00 O ATOM 0 H ASP B 167 4.948 11.150 -1.148 1.00 0.00 H new ATOM 0 HA ASP B 167 7.267 9.868 -2.026 1.00 0.00 H new ATOM 0 HB2 ASP B 167 7.356 11.870 -0.674 1.00 0.00 H new ATOM 0 HB3 ASP B 167 6.446 11.118 0.621 1.00 0.00 H new ATOM 2325 N PHE B 168 5.656 8.349 0.420 1.00 0.00 N ATOM 2326 CA PHE B 168 5.525 7.103 1.164 1.00 0.00 C ATOM 2327 C PHE B 168 5.222 5.920 0.236 1.00 0.00 C ATOM 2328 O PHE B 168 5.775 4.856 0.401 1.00 0.00 O ATOM 2329 CB PHE B 168 4.453 7.241 2.251 1.00 0.00 C ATOM 2330 CG PHE B 168 4.309 6.034 3.145 1.00 0.00 C ATOM 2331 CD1 PHE B 168 5.353 5.642 3.975 1.00 0.00 C ATOM 2332 CD2 PHE B 168 3.130 5.307 3.171 1.00 0.00 C ATOM 2333 CE1 PHE B 168 5.221 4.547 4.807 1.00 0.00 C ATOM 2334 CE2 PHE B 168 2.995 4.211 4.000 1.00 0.00 C ATOM 2335 CZ PHE B 168 4.042 3.830 4.819 1.00 0.00 C ATOM 0 H PHE B 168 4.972 9.060 0.679 1.00 0.00 H new ATOM 0 HA PHE B 168 6.481 6.897 1.646 1.00 0.00 H new ATOM 0 HB2 PHE B 168 4.689 8.108 2.868 1.00 0.00 H new ATOM 0 HB3 PHE B 168 3.493 7.441 1.774 1.00 0.00 H new ATOM 0 HD1 PHE B 168 6.278 6.200 3.969 1.00 0.00 H new ATOM 0 HD2 PHE B 168 2.307 5.601 2.536 1.00 0.00 H new ATOM 0 HE1 PHE B 168 6.039 4.253 5.447 1.00 0.00 H new ATOM 0 HE2 PHE B 168 2.071 3.651 4.009 1.00 0.00 H new ATOM 0 HZ PHE B 168 3.937 2.972 5.467 1.00 0.00 H new ATOM 2345 N ILE B 169 4.373 6.143 -0.752 1.00 0.00 N ATOM 2346 CA ILE B 169 3.993 5.118 -1.741 1.00 0.00 C ATOM 2347 C ILE B 169 5.187 4.696 -2.627 1.00 0.00 C ATOM 2348 O ILE B 169 5.319 3.509 -3.034 1.00 0.00 O ATOM 2349 CB ILE B 169 2.854 5.659 -2.658 1.00 0.00 C ATOM 2350 CG1 ILE B 169 1.594 5.927 -1.841 1.00 0.00 C ATOM 2351 CG2 ILE B 169 2.550 4.694 -3.796 1.00 0.00 C ATOM 2352 CD1 ILE B 169 0.519 6.647 -2.615 1.00 0.00 C ATOM 0 H ILE B 169 3.918 7.043 -0.902 1.00 0.00 H new ATOM 0 HA ILE B 169 3.653 4.245 -1.184 1.00 0.00 H new ATOM 0 HB ILE B 169 3.198 6.596 -3.096 1.00 0.00 H new ATOM 0 HG12 ILE B 169 1.197 4.979 -1.478 1.00 0.00 H new ATOM 0 HG13 ILE B 169 1.858 6.518 -0.964 1.00 0.00 H new ATOM 0 HG21 ILE B 169 1.751 5.102 -4.416 1.00 0.00 H new ATOM 0 HG22 ILE B 169 3.445 4.554 -4.403 1.00 0.00 H new ATOM 0 HG23 ILE B 169 2.236 3.734 -3.385 1.00 0.00 H new ATOM 0 HD11 ILE B 169 -0.348 6.805 -1.973 1.00 0.00 H new ATOM 0 HD12 ILE B 169 0.899 7.610 -2.955 1.00 0.00 H new ATOM 0 HD13 ILE B 169 0.228 6.047 -3.477 1.00 0.00 H new ATOM 2364 N HIS B 170 6.058 5.645 -2.900 1.00 0.00 N ATOM 2365 CA HIS B 170 7.157 5.431 -3.851 1.00 0.00 C ATOM 2366 C HIS B 170 8.548 5.372 -3.206 1.00 0.00 C ATOM 2367 O HIS B 170 9.545 5.469 -3.892 1.00 0.00 O ATOM 2368 CB HIS B 170 7.117 6.498 -4.954 1.00 0.00 C ATOM 2369 CG HIS B 170 5.868 6.445 -5.781 1.00 0.00 C ATOM 2370 ND1 HIS B 170 4.759 7.204 -5.511 1.00 0.00 N ATOM 2371 CD2 HIS B 170 5.547 5.699 -6.855 1.00 0.00 C ATOM 2372 CE1 HIS B 170 3.810 6.920 -6.389 1.00 0.00 C ATOM 2373 NE2 HIS B 170 4.269 6.015 -7.209 1.00 0.00 N ATOM 0 H HIS B 170 6.036 6.576 -2.483 1.00 0.00 H new ATOM 0 HA HIS B 170 6.994 4.443 -4.281 1.00 0.00 H new ATOM 0 HB2 HIS B 170 7.202 7.485 -4.499 1.00 0.00 H new ATOM 0 HB3 HIS B 170 7.982 6.371 -5.605 1.00 0.00 H new ATOM 0 HD1 HIS B 170 4.678 7.881 -4.753 1.00 0.00 H new ATOM 0 HD2 HIS B 170 6.186 4.981 -7.347 1.00 0.00 H new ATOM 0 HE1 HIS B 170 2.825 7.362 -6.421 1.00 0.00 H new ATOM 2382 N THR B 171 8.616 5.185 -1.925 1.00 0.00 N ATOM 2383 CA THR B 171 9.897 5.054 -1.267 1.00 0.00 C ATOM 2384 C THR B 171 10.143 3.613 -0.851 1.00 0.00 C ATOM 2385 O THR B 171 9.454 3.112 0.014 1.00 0.00 O ATOM 2386 CB THR B 171 9.982 5.964 -0.032 1.00 0.00 C ATOM 2387 OG1 THR B 171 9.947 7.341 -0.433 1.00 0.00 O ATOM 2388 CG2 THR B 171 11.236 5.690 0.762 1.00 0.00 C ATOM 0 H THR B 171 7.807 5.118 -1.307 1.00 0.00 H new ATOM 0 HA THR B 171 10.663 5.358 -1.980 1.00 0.00 H new ATOM 0 HB THR B 171 9.123 5.751 0.605 1.00 0.00 H new ATOM 0 HG1 THR B 171 9.018 7.652 -0.455 1.00 0.00 H new ATOM 0 HG21 THR B 171 11.268 6.349 1.630 1.00 0.00 H new ATOM 0 HG22 THR B 171 11.237 4.652 1.094 1.00 0.00 H new ATOM 0 HG23 THR B 171 12.110 5.871 0.136 1.00 0.00 H new ATOM 2396 N SER B 172 11.117 2.963 -1.477 1.00 0.00 N ATOM 2397 CA SER B 172 11.476 1.597 -1.151 1.00 0.00 C ATOM 2398 C SER B 172 11.805 1.456 0.325 1.00 0.00 C ATOM 2399 O SER B 172 12.257 2.417 0.986 1.00 0.00 O ATOM 2400 CB SER B 172 12.677 1.137 -1.979 1.00 0.00 C ATOM 2401 OG SER B 172 12.968 -0.235 -1.756 1.00 0.00 O ATOM 0 H SER B 172 11.678 3.372 -2.224 1.00 0.00 H new ATOM 0 HA SER B 172 10.615 0.971 -1.386 1.00 0.00 H new ATOM 0 HB2 SER B 172 12.474 1.300 -3.038 1.00 0.00 H new ATOM 0 HB3 SER B 172 13.548 1.741 -1.725 1.00 0.00 H new ATOM 0 HG SER B 172 12.168 -0.772 -1.934 1.00 0.00 H new ATOM 2407 N PHE B 173 11.622 0.255 0.803 1.00 0.00 N ATOM 2408 CA PHE B 173 11.815 -0.132 2.201 1.00 0.00 C ATOM 2409 C PHE B 173 13.195 0.289 2.733 1.00 0.00 C ATOM 2410 O PHE B 173 13.357 0.596 3.922 1.00 0.00 O ATOM 2411 CB PHE B 173 11.644 -1.647 2.320 1.00 0.00 C ATOM 2412 CG PHE B 173 10.515 -2.154 1.471 1.00 0.00 C ATOM 2413 CD1 PHE B 173 9.197 -1.916 1.814 1.00 0.00 C ATOM 2414 CD2 PHE B 173 10.784 -2.832 0.295 1.00 0.00 C ATOM 2415 CE1 PHE B 173 8.177 -2.345 0.999 1.00 0.00 C ATOM 2416 CE2 PHE B 173 9.771 -3.273 -0.515 1.00 0.00 C ATOM 2417 CZ PHE B 173 8.462 -3.028 -0.167 1.00 0.00 C ATOM 0 H PHE B 173 11.322 -0.523 0.216 1.00 0.00 H new ATOM 0 HA PHE B 173 11.070 0.384 2.807 1.00 0.00 H new ATOM 0 HB2 PHE B 173 12.570 -2.141 2.024 1.00 0.00 H new ATOM 0 HB3 PHE B 173 11.461 -1.910 3.362 1.00 0.00 H new ATOM 0 HD1 PHE B 173 8.967 -1.389 2.729 1.00 0.00 H new ATOM 0 HD2 PHE B 173 11.810 -3.017 0.011 1.00 0.00 H new ATOM 0 HE1 PHE B 173 7.151 -2.148 1.271 1.00 0.00 H new ATOM 0 HE2 PHE B 173 9.999 -3.811 -1.423 1.00 0.00 H new ATOM 0 HZ PHE B 173 7.660 -3.369 -0.804 1.00 0.00 H new