USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 826 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 53 GLN : amide:sc= -0.891! C(o=0.36!,f=-7.5!) USER MOD Set 1.2: B 93 LYS NZ :NH3+ -145:sc= 1.5 (180deg=-0.37!) USER MOD Set 1.3: B 97 GLN : amide:sc= -0.256! C(o=0.36!,f=-7.9!) USER MOD Set 2.1: B 66 GLN : amide:sc= -2.53! C(o=-4.2!,f=-6.5!) USER MOD Set 2.2: B 76 ASN : amide:sc= -1.67 K(o=-4.2,f=-6.8!) USER MOD Set 3.1: A 52 GLN :FLIP amide:sc= -6.76! C(o=-14!,f=-10!) USER MOD Set 3.2: B 56 SER OG : rot 63:sc= 2.1 USER MOD Set 3.3: B 64 GLN : amide:sc= -5.45! C(o=-10!,f=-14!) USER MOD Set 4.1: B 51 LYS NZ :NH3+ 156:sc= 1.09 (180deg=0) USER MOD Set 4.2: B 52 CYS SG : rot -110:sc= -2.58! USER MOD Single : B 13 LYS NZ :NH3+ -113:sc= -0.179 (180deg=-1.74) USER MOD Single : B 14 LYS NZ :NH3+ 132:sc= 1.7 (180deg=0.257) USER MOD Single : B 17 GLN : amide:sc= -6.52! C(o=-6.5!,f=-10!) USER MOD Single : B 18 LYS NZ :NH3+ -153:sc= 1.29 (180deg=1.1) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 20 GLN : amide:sc= 0.977 K(o=0.98,f=0) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 MET CE :methyl 175:sc= -0.0318 (180deg=-0.0979) USER MOD Single : B 42 THR OG1 : rot 170:sc= -0.104 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 45 HIS : no HD1:sc= -0.264 K(o=-0.26,f=-1) USER MOD Single : B 46 MET CE :methyl 159:sc= 0 (180deg=-0.58) USER MOD Single : B 47 TYR OH : rot 150:sc= 1.16 USER MOD Single : B 54 LYS NZ :NH3+ 175:sc= 1.29 (180deg=1.25) USER MOD Single : B 60 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0888) USER MOD Single : B 62 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0987) USER MOD Single : B 70 HIS :FLIP no HD1:sc= -0.607 F(o=-2.1,f=-0.61) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 75 THR OG1 : rot -110:sc= -0.176 USER MOD Single : B 78 HIS : no HD1:sc= -5.18! C(o=-5.2!,f=-6.7!) USER MOD Single : B 80 SER OG : rot -11:sc= 1.03 USER MOD Single : B 81 ASN : amide:sc= 0.496 K(o=0.5,f=-5.3!) USER MOD Single : B 83 SER OG : rot 69:sc= 1.15 USER MOD Single : B 84 THR OG1 : rot -33:sc= -2.24! USER MOD Single : B 87 LYS NZ :NH3+ 178:sc= 1.31 (180deg=1.27) USER MOD Single : B 98 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : B 102 LYS NZ :NH3+ 141:sc= -4.14! (180deg=-5.28!) USER MOD ----------------------------------------------------------------- ATOM 134 N ILE A 50 -0.438 8.761 13.842 1.00 0.00 N ATOM 135 CA ILE A 50 -1.432 8.344 12.920 1.00 0.00 C ATOM 136 C ILE A 50 -2.018 6.974 13.227 1.00 0.00 C ATOM 137 O ILE A 50 -1.386 5.935 13.067 1.00 0.00 O ATOM 138 CB ILE A 50 -0.827 8.420 11.503 1.00 0.00 C ATOM 139 CG1 ILE A 50 -1.257 9.710 10.838 1.00 0.00 C ATOM 140 CG2 ILE A 50 -1.195 7.246 10.636 1.00 0.00 C ATOM 141 CD1 ILE A 50 -0.326 10.132 9.749 1.00 0.00 C ATOM 0 HA ILE A 50 -2.286 9.016 13.001 1.00 0.00 H new ATOM 0 HB ILE A 50 0.257 8.393 11.617 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.259 9.586 10.427 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.315 10.499 11.588 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.737 7.362 9.653 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.836 6.326 11.098 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.279 7.199 10.528 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.682 11.062 9.306 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.671 10.284 10.162 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.287 9.357 8.983 1.00 0.00 H new ATOM 153 N GLU A 51 -3.220 7.025 13.746 1.00 0.00 N ATOM 154 CA GLU A 51 -4.018 5.843 14.016 1.00 0.00 C ATOM 155 C GLU A 51 -5.489 6.206 13.870 1.00 0.00 C ATOM 156 O GLU A 51 -6.379 5.610 14.466 1.00 0.00 O ATOM 157 CB GLU A 51 -3.711 5.187 15.359 1.00 0.00 C ATOM 158 CG GLU A 51 -2.716 4.038 15.229 1.00 0.00 C ATOM 159 CD GLU A 51 -3.040 3.115 14.062 1.00 0.00 C ATOM 160 OE1 GLU A 51 -4.091 2.438 14.103 1.00 0.00 O ATOM 161 OE2 GLU A 51 -2.250 3.074 13.093 1.00 0.00 O ATOM 0 H GLU A 51 -3.683 7.898 13.998 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.754 5.080 13.283 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -3.311 5.935 16.043 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.636 4.815 15.799 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.713 4.444 15.099 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.710 3.461 16.154 1.00 0.00 H new ATOM 168 N GLN A 52 -5.701 7.229 13.050 1.00 0.00 N ATOM 169 CA GLN A 52 -7.024 7.704 12.687 1.00 0.00 C ATOM 170 C GLN A 52 -7.319 7.105 11.343 1.00 0.00 C ATOM 171 O GLN A 52 -7.008 7.653 10.281 1.00 0.00 O ATOM 172 CB GLN A 52 -7.092 9.244 12.678 1.00 0.00 C ATOM 173 CG GLN A 52 -6.210 9.927 11.629 1.00 0.00 C ATOM 174 CD GLN A 52 -4.724 9.701 11.837 1.00 0.00 C ATOM 175 OE1 GLN A 52 -4.168 8.711 11.145 1.00 0.00 O flip ATOM 176 NE2 GLN A 52 -4.076 10.412 12.600 1.00 0.00 N flip ATOM 0 H GLN A 52 -4.945 7.757 12.614 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.775 7.399 13.416 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.126 9.546 12.513 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.807 9.611 13.664 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.489 9.562 10.640 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.410 10.998 11.641 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.538 11.162 13.114 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.076 10.252 12.720 1.00 0.00 H new ATOM 185 N TRP A 53 -7.857 5.927 11.399 1.00 0.00 N ATOM 186 CA TRP A 53 -8.113 5.185 10.213 1.00 0.00 C ATOM 187 C TRP A 53 -9.491 4.597 10.195 1.00 0.00 C ATOM 188 O TRP A 53 -10.260 4.708 11.146 1.00 0.00 O ATOM 189 CB TRP A 53 -7.112 4.038 10.135 1.00 0.00 C ATOM 190 CG TRP A 53 -5.680 4.463 10.079 1.00 0.00 C ATOM 191 CD1 TRP A 53 -4.914 4.960 11.076 1.00 0.00 C ATOM 192 CD2 TRP A 53 -4.857 4.403 8.945 1.00 0.00 C ATOM 193 NE1 TRP A 53 -3.645 5.228 10.615 1.00 0.00 N ATOM 194 CE2 TRP A 53 -3.589 4.891 9.291 1.00 0.00 C ATOM 195 CE3 TRP A 53 -5.091 3.986 7.667 1.00 0.00 C ATOM 196 CZ2 TRP A 53 -2.551 4.966 8.359 1.00 0.00 C ATOM 197 CZ3 TRP A 53 -4.095 4.052 6.760 1.00 0.00 C ATOM 198 CH2 TRP A 53 -2.838 4.537 7.094 1.00 0.00 C ATOM 0 H TRP A 53 -8.128 5.458 12.264 1.00 0.00 H new ATOM 0 HA TRP A 53 -8.022 5.868 9.368 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -7.252 3.392 11.002 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -7.334 3.439 9.252 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.250 5.123 12.089 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.878 5.612 11.167 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -6.062 3.608 7.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -1.574 5.343 8.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.280 3.719 5.749 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -2.069 4.576 6.336 1.00 0.00 H new ATOM 209 N PHE A 54 -9.793 4.037 9.055 1.00 0.00 N ATOM 210 CA PHE A 54 -11.008 3.315 8.835 1.00 0.00 C ATOM 211 C PHE A 54 -10.547 1.941 8.501 1.00 0.00 C ATOM 212 O PHE A 54 -10.177 1.674 7.355 1.00 0.00 O ATOM 213 CB PHE A 54 -11.813 3.886 7.683 1.00 0.00 C ATOM 214 CG PHE A 54 -11.992 5.359 7.764 1.00 0.00 C ATOM 215 CD1 PHE A 54 -12.231 5.973 8.978 1.00 0.00 C ATOM 216 CD2 PHE A 54 -11.936 6.129 6.626 1.00 0.00 C ATOM 217 CE1 PHE A 54 -12.417 7.322 9.055 1.00 0.00 C ATOM 218 CE2 PHE A 54 -12.115 7.479 6.688 1.00 0.00 C ATOM 219 CZ PHE A 54 -12.362 8.088 7.907 1.00 0.00 C ATOM 0 H PHE A 54 -9.184 4.073 8.237 1.00 0.00 H new ATOM 0 HA PHE A 54 -11.666 3.360 9.703 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.317 3.638 6.744 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.793 3.409 7.662 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -12.271 5.377 9.878 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -11.748 5.659 5.672 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.607 7.789 10.010 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -12.064 8.073 5.787 1.00 0.00 H new ATOM 0 HZ PHE A 54 -12.511 9.156 7.960 1.00 0.00 H new ATOM 246 N GLU A 56 -10.793 -0.821 7.147 1.00 0.00 N ATOM 247 CA GLU A 56 -11.551 -1.557 6.144 1.00 0.00 C ATOM 248 C GLU A 56 -11.569 -3.050 6.451 1.00 0.00 C ATOM 249 O GLU A 56 -12.614 -3.699 6.412 1.00 0.00 O ATOM 250 CB GLU A 56 -10.907 -1.333 4.785 1.00 0.00 C ATOM 251 CG GLU A 56 -11.158 0.054 4.211 1.00 0.00 C ATOM 252 CD GLU A 56 -10.872 0.107 2.731 1.00 0.00 C ATOM 253 OE1 GLU A 56 -9.689 -0.007 2.354 1.00 0.00 O ATOM 254 OE2 GLU A 56 -11.830 0.242 1.940 1.00 0.00 O ATOM 0 HA GLU A 56 -12.580 -1.196 6.148 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.832 -1.492 4.871 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -11.284 -2.080 4.086 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.194 0.340 4.392 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.532 0.781 4.729 1.00 0.00 H new ATOM 261 N ASP A 57 -10.398 -3.577 6.754 1.00 0.00 N ATOM 262 CA ASP A 57 -10.252 -4.980 7.085 1.00 0.00 C ATOM 263 C ASP A 57 -9.721 -5.105 8.504 1.00 0.00 C ATOM 264 O ASP A 57 -8.683 -4.536 8.822 1.00 0.00 O ATOM 265 CB ASP A 57 -9.299 -5.664 6.097 1.00 0.00 C ATOM 266 CG ASP A 57 -9.330 -7.179 6.182 1.00 0.00 C ATOM 267 OD1 ASP A 57 -9.249 -7.728 7.300 1.00 0.00 O ATOM 268 OD2 ASP A 57 -9.422 -7.829 5.121 1.00 0.00 O ATOM 0 H ASP A 57 -9.526 -3.048 6.777 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.223 -5.471 7.017 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.558 -5.359 5.083 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.283 -5.317 6.284 1.00 0.00 H new ATOM 415 N GLU B 7 3.949 -8.655 -11.545 1.00 0.00 N ATOM 416 CA GLU B 7 3.490 -7.749 -12.572 1.00 0.00 C ATOM 417 C GLU B 7 3.093 -6.449 -11.881 1.00 0.00 C ATOM 418 O GLU B 7 2.740 -6.453 -10.703 1.00 0.00 O ATOM 419 CB GLU B 7 2.324 -8.370 -13.366 1.00 0.00 C ATOM 420 CG GLU B 7 0.961 -7.774 -13.064 1.00 0.00 C ATOM 421 CD GLU B 7 0.375 -8.331 -11.792 1.00 0.00 C ATOM 422 OE1 GLU B 7 1.163 -8.718 -10.899 1.00 0.00 O ATOM 423 OE2 GLU B 7 -0.863 -8.392 -11.684 1.00 0.00 O ATOM 0 HA GLU B 7 4.275 -7.549 -13.301 1.00 0.00 H new ATOM 0 HB2 GLU B 7 2.527 -8.257 -14.431 1.00 0.00 H new ATOM 0 HB3 GLU B 7 2.291 -9.440 -13.160 1.00 0.00 H new ATOM 0 HG2 GLU B 7 1.049 -6.691 -12.980 1.00 0.00 H new ATOM 0 HG3 GLU B 7 0.284 -7.975 -13.894 1.00 0.00 H new ATOM 430 N VAL B 8 3.202 -5.334 -12.564 1.00 0.00 N ATOM 431 CA VAL B 8 2.862 -4.073 -11.945 1.00 0.00 C ATOM 432 C VAL B 8 1.420 -3.685 -12.244 1.00 0.00 C ATOM 433 O VAL B 8 1.084 -3.292 -13.359 1.00 0.00 O ATOM 434 CB VAL B 8 3.822 -2.956 -12.379 1.00 0.00 C ATOM 435 CG1 VAL B 8 3.759 -1.800 -11.399 1.00 0.00 C ATOM 436 CG2 VAL B 8 5.242 -3.497 -12.483 1.00 0.00 C ATOM 0 H VAL B 8 3.518 -5.272 -13.532 1.00 0.00 H new ATOM 0 HA VAL B 8 2.965 -4.203 -10.868 1.00 0.00 H new ATOM 0 HB VAL B 8 3.519 -2.590 -13.360 1.00 0.00 H new ATOM 0 HG11 VAL B 8 4.444 -1.015 -11.718 1.00 0.00 H new ATOM 0 HG12 VAL B 8 2.744 -1.405 -11.367 1.00 0.00 H new ATOM 0 HG13 VAL B 8 4.044 -2.149 -10.406 1.00 0.00 H new ATOM 0 HG21 VAL B 8 5.915 -2.697 -12.791 1.00 0.00 H new ATOM 0 HG22 VAL B 8 5.557 -3.882 -11.513 1.00 0.00 H new ATOM 0 HG23 VAL B 8 5.272 -4.300 -13.219 1.00 0.00 H new ATOM 446 N LEU B 9 0.585 -3.805 -11.223 1.00 0.00 N ATOM 447 CA LEU B 9 -0.827 -3.488 -11.320 1.00 0.00 C ATOM 448 C LEU B 9 -1.035 -2.009 -11.119 1.00 0.00 C ATOM 449 O LEU B 9 -1.786 -1.364 -11.849 1.00 0.00 O ATOM 450 CB LEU B 9 -1.620 -4.232 -10.243 1.00 0.00 C ATOM 451 CG LEU B 9 -1.956 -5.686 -10.548 1.00 0.00 C ATOM 452 CD1 LEU B 9 -2.367 -6.405 -9.276 1.00 0.00 C ATOM 453 CD2 LEU B 9 -3.069 -5.767 -11.577 1.00 0.00 C ATOM 0 H LEU B 9 0.872 -4.127 -10.299 1.00 0.00 H new ATOM 0 HA LEU B 9 -1.174 -3.790 -12.308 1.00 0.00 H new ATOM 0 HB2 LEU B 9 -1.052 -4.198 -9.313 1.00 0.00 H new ATOM 0 HB3 LEU B 9 -2.551 -3.693 -10.068 1.00 0.00 H new ATOM 0 HG LEU B 9 -1.069 -6.170 -10.956 1.00 0.00 H new ATOM 0 HD11 LEU B 9 -2.605 -7.444 -9.506 1.00 0.00 H new ATOM 0 HD12 LEU B 9 -1.548 -6.371 -8.558 1.00 0.00 H new ATOM 0 HD13 LEU B 9 -3.244 -5.918 -8.850 1.00 0.00 H new ATOM 0 HD21 LEU B 9 -3.298 -6.812 -11.784 1.00 0.00 H new ATOM 0 HD22 LEU B 9 -3.959 -5.271 -11.190 1.00 0.00 H new ATOM 0 HD23 LEU B 9 -2.751 -5.276 -12.497 1.00 0.00 H new ATOM 465 N LEU B 10 -0.363 -1.469 -10.116 1.00 0.00 N ATOM 466 CA LEU B 10 -0.513 -0.064 -9.812 1.00 0.00 C ATOM 467 C LEU B 10 0.808 0.583 -9.450 1.00 0.00 C ATOM 468 O LEU B 10 1.581 0.041 -8.661 1.00 0.00 O ATOM 469 CB LEU B 10 -1.463 0.123 -8.636 1.00 0.00 C ATOM 470 CG LEU B 10 -2.271 1.424 -8.663 1.00 0.00 C ATOM 471 CD1 LEU B 10 -3.289 1.402 -9.793 1.00 0.00 C ATOM 472 CD2 LEU B 10 -2.959 1.651 -7.330 1.00 0.00 C ATOM 0 H LEU B 10 0.281 -1.976 -9.509 1.00 0.00 H new ATOM 0 HA LEU B 10 -0.908 0.410 -10.711 1.00 0.00 H new ATOM 0 HB2 LEU B 10 -2.156 -0.718 -8.610 1.00 0.00 H new ATOM 0 HB3 LEU B 10 -0.886 0.089 -7.712 1.00 0.00 H new ATOM 0 HG LEU B 10 -1.582 2.250 -8.840 1.00 0.00 H new ATOM 0 HD11 LEU B 10 -3.852 2.335 -9.794 1.00 0.00 H new ATOM 0 HD12 LEU B 10 -2.772 1.289 -10.746 1.00 0.00 H new ATOM 0 HD13 LEU B 10 -3.973 0.566 -9.650 1.00 0.00 H new ATOM 0 HD21 LEU B 10 -3.528 2.580 -7.368 1.00 0.00 H new ATOM 0 HD22 LEU B 10 -3.633 0.820 -7.123 1.00 0.00 H new ATOM 0 HD23 LEU B 10 -2.210 1.716 -6.541 1.00 0.00 H new ATOM 484 N ILE B 11 1.060 1.731 -10.045 1.00 0.00 N ATOM 485 CA ILE B 11 2.251 2.504 -9.741 1.00 0.00 C ATOM 486 C ILE B 11 1.848 3.805 -9.072 1.00 0.00 C ATOM 487 O ILE B 11 1.326 4.719 -9.715 1.00 0.00 O ATOM 488 CB ILE B 11 3.100 2.816 -10.993 1.00 0.00 C ATOM 489 CG1 ILE B 11 3.614 1.519 -11.618 1.00 0.00 C ATOM 490 CG2 ILE B 11 4.261 3.738 -10.632 1.00 0.00 C ATOM 491 CD1 ILE B 11 4.636 1.725 -12.716 1.00 0.00 C ATOM 0 H ILE B 11 0.452 2.153 -10.747 1.00 0.00 H new ATOM 0 HA ILE B 11 2.867 1.899 -9.076 1.00 0.00 H new ATOM 0 HB ILE B 11 2.473 3.327 -11.724 1.00 0.00 H new ATOM 0 HG12 ILE B 11 4.056 0.902 -10.836 1.00 0.00 H new ATOM 0 HG13 ILE B 11 2.768 0.963 -12.023 1.00 0.00 H new ATOM 0 HG21 ILE B 11 4.850 3.948 -11.525 1.00 0.00 H new ATOM 0 HG22 ILE B 11 3.872 4.672 -10.226 1.00 0.00 H new ATOM 0 HG23 ILE B 11 4.892 3.254 -9.887 1.00 0.00 H new ATOM 0 HD11 ILE B 11 4.950 0.757 -13.107 1.00 0.00 H new ATOM 0 HD12 ILE B 11 4.194 2.315 -13.519 1.00 0.00 H new ATOM 0 HD13 ILE B 11 5.501 2.252 -12.314 1.00 0.00 H new ATOM 503 N VAL B 12 2.096 3.876 -7.780 1.00 0.00 N ATOM 504 CA VAL B 12 1.786 5.052 -6.991 1.00 0.00 C ATOM 505 C VAL B 12 3.084 5.790 -6.717 1.00 0.00 C ATOM 506 O VAL B 12 4.114 5.156 -6.530 1.00 0.00 O ATOM 507 CB VAL B 12 1.105 4.671 -5.658 1.00 0.00 C ATOM 508 CG1 VAL B 12 0.345 5.852 -5.084 1.00 0.00 C ATOM 509 CG2 VAL B 12 0.175 3.480 -5.843 1.00 0.00 C ATOM 0 H VAL B 12 2.520 3.118 -7.245 1.00 0.00 H new ATOM 0 HA VAL B 12 1.091 5.685 -7.543 1.00 0.00 H new ATOM 0 HB VAL B 12 1.886 4.388 -4.952 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -0.126 5.560 -4.146 1.00 0.00 H new ATOM 0 HG12 VAL B 12 1.036 6.676 -4.902 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.421 6.170 -5.791 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -0.292 3.232 -4.890 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.597 3.731 -6.571 1.00 0.00 H new ATOM 0 HG23 VAL B 12 0.747 2.624 -6.201 1.00 0.00 H new ATOM 519 N LYS B 13 3.048 7.108 -6.704 1.00 0.00 N ATOM 520 CA LYS B 13 4.269 7.886 -6.488 1.00 0.00 C ATOM 521 C LYS B 13 4.152 8.785 -5.272 1.00 0.00 C ATOM 522 O LYS B 13 3.051 9.026 -4.775 1.00 0.00 O ATOM 523 CB LYS B 13 4.591 8.719 -7.725 1.00 0.00 C ATOM 524 CG LYS B 13 4.701 7.887 -8.991 1.00 0.00 C ATOM 525 CD LYS B 13 3.975 8.536 -10.158 1.00 0.00 C ATOM 526 CE LYS B 13 2.482 8.681 -9.892 1.00 0.00 C ATOM 527 NZ LYS B 13 1.840 7.382 -9.558 1.00 0.00 N ATOM 0 H LYS B 13 2.203 7.664 -6.838 1.00 0.00 H new ATOM 0 HA LYS B 13 5.081 7.182 -6.306 1.00 0.00 H new ATOM 0 HB2 LYS B 13 3.816 9.474 -7.859 1.00 0.00 H new ATOM 0 HB3 LYS B 13 5.529 9.250 -7.564 1.00 0.00 H new ATOM 0 HG2 LYS B 13 5.752 7.752 -9.247 1.00 0.00 H new ATOM 0 HG3 LYS B 13 4.286 6.895 -8.811 1.00 0.00 H new ATOM 0 HD2 LYS B 13 4.406 9.518 -10.352 1.00 0.00 H new ATOM 0 HD3 LYS B 13 4.127 7.938 -11.057 1.00 0.00 H new ATOM 0 HE2 LYS B 13 2.328 9.382 -9.071 1.00 0.00 H new ATOM 0 HE3 LYS B 13 1.998 9.108 -10.771 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 1.183 7.114 -10.318 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 2.571 6.649 -9.458 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 1.317 7.473 -8.664 1.00 0.00 H new ATOM 541 N LYS B 14 5.300 9.297 -4.824 1.00 0.00 N ATOM 542 CA LYS B 14 5.373 10.161 -3.658 1.00 0.00 C ATOM 543 C LYS B 14 4.698 9.515 -2.454 1.00 0.00 C ATOM 544 O LYS B 14 4.032 10.176 -1.658 1.00 0.00 O ATOM 545 CB LYS B 14 4.758 11.511 -3.990 1.00 0.00 C ATOM 546 CG LYS B 14 5.762 12.517 -4.532 1.00 0.00 C ATOM 547 CD LYS B 14 5.272 13.171 -5.816 1.00 0.00 C ATOM 548 CE LYS B 14 4.007 13.984 -5.589 1.00 0.00 C ATOM 549 NZ LYS B 14 4.200 15.051 -4.569 1.00 0.00 N ATOM 0 H LYS B 14 6.203 9.120 -5.264 1.00 0.00 H new ATOM 0 HA LYS B 14 6.418 10.313 -3.389 1.00 0.00 H new ATOM 0 HB2 LYS B 14 3.965 11.370 -4.724 1.00 0.00 H new ATOM 0 HB3 LYS B 14 4.293 11.920 -3.093 1.00 0.00 H new ATOM 0 HG2 LYS B 14 5.948 13.285 -3.781 1.00 0.00 H new ATOM 0 HG3 LYS B 14 6.712 12.017 -4.719 1.00 0.00 H new ATOM 0 HD2 LYS B 14 6.053 13.818 -6.215 1.00 0.00 H new ATOM 0 HD3 LYS B 14 5.081 12.403 -6.565 1.00 0.00 H new ATOM 0 HE2 LYS B 14 3.694 14.436 -6.530 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.203 13.321 -5.271 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 3.825 15.950 -4.932 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 3.696 14.793 -3.697 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 5.214 15.156 -4.364 1.00 0.00 H new ATOM 563 N VAL B 15 4.879 8.213 -2.331 1.00 0.00 N ATOM 564 CA VAL B 15 4.310 7.461 -1.229 1.00 0.00 C ATOM 565 C VAL B 15 5.358 7.260 -0.149 1.00 0.00 C ATOM 566 O VAL B 15 6.326 6.537 -0.344 1.00 0.00 O ATOM 567 CB VAL B 15 3.760 6.090 -1.682 1.00 0.00 C ATOM 568 CG1 VAL B 15 3.043 5.399 -0.533 1.00 0.00 C ATOM 569 CG2 VAL B 15 2.825 6.267 -2.861 1.00 0.00 C ATOM 0 H VAL B 15 5.421 7.651 -2.987 1.00 0.00 H new ATOM 0 HA VAL B 15 3.473 8.038 -0.836 1.00 0.00 H new ATOM 0 HB VAL B 15 4.596 5.463 -1.991 1.00 0.00 H new ATOM 0 HG11 VAL B 15 2.662 4.435 -0.869 1.00 0.00 H new ATOM 0 HG12 VAL B 15 3.740 5.246 0.291 1.00 0.00 H new ATOM 0 HG13 VAL B 15 2.213 6.020 -0.196 1.00 0.00 H new ATOM 0 HG21 VAL B 15 2.443 5.294 -3.172 1.00 0.00 H new ATOM 0 HG22 VAL B 15 1.992 6.908 -2.572 1.00 0.00 H new ATOM 0 HG23 VAL B 15 3.366 6.726 -3.689 1.00 0.00 H new ATOM 579 N ARG B 16 5.165 7.915 0.978 1.00 0.00 N ATOM 580 CA ARG B 16 6.086 7.823 2.087 1.00 0.00 C ATOM 581 C ARG B 16 5.621 6.740 3.041 1.00 0.00 C ATOM 582 O ARG B 16 4.437 6.643 3.347 1.00 0.00 O ATOM 583 CB ARG B 16 6.183 9.174 2.801 1.00 0.00 C ATOM 584 CG ARG B 16 6.069 10.357 1.850 1.00 0.00 C ATOM 585 CD ARG B 16 6.380 11.677 2.534 1.00 0.00 C ATOM 586 NE ARG B 16 7.800 12.022 2.450 1.00 0.00 N ATOM 587 CZ ARG B 16 8.271 13.267 2.526 1.00 0.00 C ATOM 588 NH1 ARG B 16 7.440 14.283 2.744 1.00 0.00 N ATOM 589 NH2 ARG B 16 9.571 13.494 2.378 1.00 0.00 N ATOM 0 H ARG B 16 4.365 8.525 1.148 1.00 0.00 H new ATOM 0 HA ARG B 16 7.078 7.562 1.718 1.00 0.00 H new ATOM 0 HB2 ARG B 16 5.395 9.240 3.551 1.00 0.00 H new ATOM 0 HB3 ARG B 16 7.133 9.231 3.332 1.00 0.00 H new ATOM 0 HG2 ARG B 16 6.752 10.214 1.012 1.00 0.00 H new ATOM 0 HG3 ARG B 16 5.061 10.393 1.437 1.00 0.00 H new ATOM 0 HD2 ARG B 16 5.788 12.470 2.077 1.00 0.00 H new ATOM 0 HD3 ARG B 16 6.083 11.621 3.581 1.00 0.00 H new ATOM 0 HE ARG B 16 8.470 11.263 2.326 1.00 0.00 H new ATOM 0 HH11 ARG B 16 6.441 14.110 2.853 1.00 0.00 H new ATOM 0 HH12 ARG B 16 7.802 15.235 2.802 1.00 0.00 H new ATOM 0 HH21 ARG B 16 10.208 12.716 2.206 1.00 0.00 H new ATOM 0 HH22 ARG B 16 9.932 14.446 2.436 1.00 0.00 H new ATOM 603 N GLN B 17 6.538 5.908 3.480 1.00 0.00 N ATOM 604 CA GLN B 17 6.203 4.834 4.391 1.00 0.00 C ATOM 605 C GLN B 17 7.315 4.659 5.410 1.00 0.00 C ATOM 606 O GLN B 17 8.407 4.219 5.062 1.00 0.00 O ATOM 607 CB GLN B 17 5.970 3.535 3.612 1.00 0.00 C ATOM 608 CG GLN B 17 5.047 2.555 4.318 1.00 0.00 C ATOM 609 CD GLN B 17 5.747 1.760 5.400 1.00 0.00 C ATOM 610 OE1 GLN B 17 5.168 1.475 6.447 1.00 0.00 O ATOM 611 NE2 GLN B 17 6.991 1.382 5.153 1.00 0.00 N ATOM 0 H GLN B 17 7.524 5.953 3.221 1.00 0.00 H new ATOM 0 HA GLN B 17 5.283 5.084 4.920 1.00 0.00 H new ATOM 0 HB2 GLN B 17 5.549 3.778 2.636 1.00 0.00 H new ATOM 0 HB3 GLN B 17 6.931 3.052 3.434 1.00 0.00 H new ATOM 0 HG2 GLN B 17 4.213 3.102 4.758 1.00 0.00 H new ATOM 0 HG3 GLN B 17 4.626 1.868 3.584 1.00 0.00 H new ATOM 0 HE21 GLN B 17 7.437 1.638 4.272 1.00 0.00 H new ATOM 0 HE22 GLN B 17 7.504 0.834 5.844 1.00 0.00 H new ATOM 620 N LYS B 18 7.016 5.006 6.659 1.00 0.00 N ATOM 621 CA LYS B 18 7.975 4.919 7.759 1.00 0.00 C ATOM 622 C LYS B 18 9.029 6.019 7.627 1.00 0.00 C ATOM 623 O LYS B 18 10.235 5.756 7.604 1.00 0.00 O ATOM 624 CB LYS B 18 8.636 3.530 7.840 1.00 0.00 C ATOM 625 CG LYS B 18 7.698 2.427 8.322 1.00 0.00 C ATOM 626 CD LYS B 18 8.349 1.050 8.230 1.00 0.00 C ATOM 627 CE LYS B 18 7.368 -0.066 8.579 1.00 0.00 C ATOM 628 NZ LYS B 18 7.559 -0.573 9.965 1.00 0.00 N ATOM 0 H LYS B 18 6.100 5.356 6.939 1.00 0.00 H new ATOM 0 HA LYS B 18 7.427 5.065 8.690 1.00 0.00 H new ATOM 0 HB2 LYS B 18 9.020 3.263 6.855 1.00 0.00 H new ATOM 0 HB3 LYS B 18 9.493 3.585 8.512 1.00 0.00 H new ATOM 0 HG2 LYS B 18 7.406 2.623 9.354 1.00 0.00 H new ATOM 0 HG3 LYS B 18 6.786 2.439 7.725 1.00 0.00 H new ATOM 0 HD2 LYS B 18 8.731 0.895 7.221 1.00 0.00 H new ATOM 0 HD3 LYS B 18 9.204 1.006 8.905 1.00 0.00 H new ATOM 0 HE2 LYS B 18 6.348 0.302 8.466 1.00 0.00 H new ATOM 0 HE3 LYS B 18 7.490 -0.888 7.874 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 7.241 -1.562 10.020 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 8.566 -0.519 10.219 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 7.004 0.007 10.626 1.00 0.00 H new ATOM 642 N LYS B 19 8.535 7.252 7.514 1.00 0.00 N ATOM 643 CA LYS B 19 9.359 8.456 7.414 1.00 0.00 C ATOM 644 C LYS B 19 10.317 8.436 6.218 1.00 0.00 C ATOM 645 O LYS B 19 11.456 8.894 6.324 1.00 0.00 O ATOM 646 CB LYS B 19 10.139 8.678 8.720 1.00 0.00 C ATOM 647 CG LYS B 19 9.404 9.535 9.748 1.00 0.00 C ATOM 648 CD LYS B 19 8.130 8.864 10.245 1.00 0.00 C ATOM 649 CE LYS B 19 7.375 9.742 11.233 1.00 0.00 C ATOM 650 NZ LYS B 19 5.992 9.249 11.459 1.00 0.00 N ATOM 0 H LYS B 19 7.534 7.445 7.489 1.00 0.00 H new ATOM 0 HA LYS B 19 8.675 9.288 7.249 1.00 0.00 H new ATOM 0 HB2 LYS B 19 10.364 7.709 9.165 1.00 0.00 H new ATOM 0 HB3 LYS B 19 11.093 9.150 8.485 1.00 0.00 H new ATOM 0 HG2 LYS B 19 10.063 9.732 10.593 1.00 0.00 H new ATOM 0 HG3 LYS B 19 9.156 10.500 9.305 1.00 0.00 H new ATOM 0 HD2 LYS B 19 7.485 8.635 9.396 1.00 0.00 H new ATOM 0 HD3 LYS B 19 8.381 7.915 10.720 1.00 0.00 H new ATOM 0 HE2 LYS B 19 7.912 9.768 12.181 1.00 0.00 H new ATOM 0 HE3 LYS B 19 7.340 10.765 10.858 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 5.508 9.871 12.137 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 5.472 9.248 10.558 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 6.026 8.282 11.840 1.00 0.00 H new ATOM 664 N GLN B 20 9.861 7.924 5.077 1.00 0.00 N ATOM 665 CA GLN B 20 10.693 7.890 3.881 1.00 0.00 C ATOM 666 C GLN B 20 9.822 7.908 2.633 1.00 0.00 C ATOM 667 O GLN B 20 8.924 7.082 2.475 1.00 0.00 O ATOM 668 CB GLN B 20 11.631 6.676 3.882 1.00 0.00 C ATOM 669 CG GLN B 20 10.931 5.350 4.107 1.00 0.00 C ATOM 670 CD GLN B 20 11.866 4.285 4.639 1.00 0.00 C ATOM 671 OE1 GLN B 20 12.474 3.535 3.876 1.00 0.00 O ATOM 672 NE2 GLN B 20 11.986 4.214 5.954 1.00 0.00 N ATOM 0 H GLN B 20 8.928 7.530 4.957 1.00 0.00 H new ATOM 0 HA GLN B 20 11.320 8.782 3.879 1.00 0.00 H new ATOM 0 HB2 GLN B 20 12.159 6.638 2.929 1.00 0.00 H new ATOM 0 HB3 GLN B 20 12.384 6.813 4.658 1.00 0.00 H new ATOM 0 HG2 GLN B 20 10.109 5.491 4.809 1.00 0.00 H new ATOM 0 HG3 GLN B 20 10.494 5.009 3.168 1.00 0.00 H new ATOM 0 HE21 GLN B 20 11.463 4.856 6.549 1.00 0.00 H new ATOM 0 HE22 GLN B 20 12.602 3.517 6.373 1.00 0.00 H new ATOM 681 N ASP B 21 10.080 8.874 1.767 1.00 0.00 N ATOM 682 CA ASP B 21 9.323 9.040 0.533 1.00 0.00 C ATOM 683 C ASP B 21 9.749 8.050 -0.536 1.00 0.00 C ATOM 684 O ASP B 21 10.932 7.741 -0.694 1.00 0.00 O ATOM 685 CB ASP B 21 9.454 10.474 0.004 1.00 0.00 C ATOM 686 CG ASP B 21 10.772 11.120 0.377 1.00 0.00 C ATOM 687 OD1 ASP B 21 10.948 11.441 1.577 1.00 0.00 O ATOM 688 OD2 ASP B 21 11.619 11.315 -0.509 1.00 0.00 O ATOM 0 H ASP B 21 10.819 9.565 1.897 1.00 0.00 H new ATOM 0 HA ASP B 21 8.278 8.841 0.772 1.00 0.00 H new ATOM 0 HB2 ASP B 21 9.353 10.467 -1.081 1.00 0.00 H new ATOM 0 HB3 ASP B 21 8.635 11.077 0.396 1.00 0.00 H new ATOM 693 N GLY B 22 8.764 7.543 -1.254 1.00 0.00 N ATOM 694 CA GLY B 22 9.010 6.595 -2.302 1.00 0.00 C ATOM 695 C GLY B 22 7.841 6.433 -3.232 1.00 0.00 C ATOM 696 O GLY B 22 7.120 7.383 -3.516 1.00 0.00 O ATOM 0 H GLY B 22 7.781 7.780 -1.122 1.00 0.00 H new ATOM 0 HA2 GLY B 22 9.882 6.912 -2.874 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.253 5.628 -1.861 1.00 0.00 H new ATOM 700 N ALA B 23 7.637 5.215 -3.676 1.00 0.00 N ATOM 701 CA ALA B 23 6.578 4.897 -4.595 1.00 0.00 C ATOM 702 C ALA B 23 5.988 3.546 -4.237 1.00 0.00 C ATOM 703 O ALA B 23 6.714 2.628 -3.850 1.00 0.00 O ATOM 704 CB ALA B 23 7.121 4.900 -6.008 1.00 0.00 C ATOM 0 H ALA B 23 8.207 4.414 -3.406 1.00 0.00 H new ATOM 0 HA ALA B 23 5.787 5.644 -4.530 1.00 0.00 H new ATOM 0 HB1 ALA B 23 6.319 4.659 -6.706 1.00 0.00 H new ATOM 0 HB2 ALA B 23 7.522 5.886 -6.242 1.00 0.00 H new ATOM 0 HB3 ALA B 23 7.913 4.157 -6.095 1.00 0.00 H new ATOM 710 N LEU B 24 4.683 3.424 -4.365 1.00 0.00 N ATOM 711 CA LEU B 24 4.006 2.191 -4.018 1.00 0.00 C ATOM 712 C LEU B 24 3.683 1.409 -5.287 1.00 0.00 C ATOM 713 O LEU B 24 3.046 1.924 -6.203 1.00 0.00 O ATOM 714 CB LEU B 24 2.725 2.515 -3.236 1.00 0.00 C ATOM 715 CG LEU B 24 2.291 1.487 -2.185 1.00 0.00 C ATOM 716 CD1 LEU B 24 0.886 1.793 -1.699 1.00 0.00 C ATOM 717 CD2 LEU B 24 2.364 0.073 -2.720 1.00 0.00 C ATOM 0 H LEU B 24 4.069 4.164 -4.707 1.00 0.00 H new ATOM 0 HA LEU B 24 4.652 1.578 -3.390 1.00 0.00 H new ATOM 0 HB2 LEU B 24 2.862 3.475 -2.739 1.00 0.00 H new ATOM 0 HB3 LEU B 24 1.911 2.639 -3.950 1.00 0.00 H new ATOM 0 HG LEU B 24 2.984 1.559 -1.347 1.00 0.00 H new ATOM 0 HD11 LEU B 24 0.590 1.055 -0.953 1.00 0.00 H new ATOM 0 HD12 LEU B 24 0.863 2.788 -1.254 1.00 0.00 H new ATOM 0 HD13 LEU B 24 0.194 1.756 -2.540 1.00 0.00 H new ATOM 0 HD21 LEU B 24 2.049 -0.626 -1.945 1.00 0.00 H new ATOM 0 HD22 LEU B 24 1.707 -0.023 -3.585 1.00 0.00 H new ATOM 0 HD23 LEU B 24 3.389 -0.152 -3.016 1.00 0.00 H new ATOM 729 N TYR B 25 4.140 0.174 -5.338 1.00 0.00 N ATOM 730 CA TYR B 25 3.902 -0.684 -6.495 1.00 0.00 C ATOM 731 C TYR B 25 3.024 -1.878 -6.120 1.00 0.00 C ATOM 732 O TYR B 25 3.364 -2.658 -5.228 1.00 0.00 O ATOM 733 CB TYR B 25 5.227 -1.183 -7.083 1.00 0.00 C ATOM 734 CG TYR B 25 6.164 -0.084 -7.539 1.00 0.00 C ATOM 735 CD1 TYR B 25 7.073 0.493 -6.659 1.00 0.00 C ATOM 736 CD2 TYR B 25 6.149 0.364 -8.853 1.00 0.00 C ATOM 737 CE1 TYR B 25 7.936 1.489 -7.078 1.00 0.00 C ATOM 738 CE2 TYR B 25 7.011 1.356 -9.279 1.00 0.00 C ATOM 739 CZ TYR B 25 7.902 1.916 -8.387 1.00 0.00 C ATOM 740 OH TYR B 25 8.763 2.903 -8.809 1.00 0.00 O ATOM 0 H TYR B 25 4.681 -0.264 -4.592 1.00 0.00 H new ATOM 0 HA TYR B 25 3.382 -0.089 -7.246 1.00 0.00 H new ATOM 0 HB2 TYR B 25 5.736 -1.790 -6.335 1.00 0.00 H new ATOM 0 HB3 TYR B 25 5.012 -1.835 -7.930 1.00 0.00 H new ATOM 0 HD1 TYR B 25 7.106 0.158 -5.633 1.00 0.00 H new ATOM 0 HD2 TYR B 25 5.452 -0.070 -9.554 1.00 0.00 H new ATOM 0 HE1 TYR B 25 8.634 1.930 -6.382 1.00 0.00 H new ATOM 0 HE2 TYR B 25 6.987 1.691 -10.305 1.00 0.00 H new ATOM 0 HH TYR B 25 8.610 3.086 -9.759 1.00 0.00 H new ATOM 750 N LEU B 26 1.892 -2.012 -6.801 1.00 0.00 N ATOM 751 CA LEU B 26 0.967 -3.115 -6.547 1.00 0.00 C ATOM 752 C LEU B 26 1.219 -4.252 -7.520 1.00 0.00 C ATOM 753 O LEU B 26 1.350 -4.011 -8.721 1.00 0.00 O ATOM 754 CB LEU B 26 -0.490 -2.666 -6.697 1.00 0.00 C ATOM 755 CG LEU B 26 -0.961 -1.595 -5.717 1.00 0.00 C ATOM 756 CD1 LEU B 26 -2.476 -1.513 -5.710 1.00 0.00 C ATOM 757 CD2 LEU B 26 -0.449 -1.887 -4.330 1.00 0.00 C ATOM 0 H LEU B 26 1.590 -1.371 -7.535 1.00 0.00 H new ATOM 0 HA LEU B 26 1.138 -3.450 -5.524 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -0.632 -2.291 -7.711 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -1.132 -3.540 -6.587 1.00 0.00 H new ATOM 0 HG LEU B 26 -0.561 -0.634 -6.040 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -2.796 -0.745 -5.006 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -2.831 -1.260 -6.709 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -2.891 -2.475 -5.410 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -0.794 -1.113 -3.644 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -0.823 -2.857 -4.001 1.00 0.00 H new ATOM 0 HD23 LEU B 26 0.641 -1.903 -4.340 1.00 0.00 H new ATOM 769 N MET B 27 1.284 -5.476 -6.999 1.00 0.00 N ATOM 770 CA MET B 27 1.501 -6.663 -7.824 1.00 0.00 C ATOM 771 C MET B 27 0.410 -7.694 -7.538 1.00 0.00 C ATOM 772 O MET B 27 -0.177 -7.696 -6.456 1.00 0.00 O ATOM 773 CB MET B 27 2.880 -7.272 -7.565 1.00 0.00 C ATOM 774 CG MET B 27 4.016 -6.269 -7.655 1.00 0.00 C ATOM 775 SD MET B 27 5.424 -6.710 -6.622 1.00 0.00 S ATOM 776 CE MET B 27 6.636 -5.524 -7.197 1.00 0.00 C ATOM 0 H MET B 27 1.189 -5.672 -6.003 1.00 0.00 H new ATOM 0 HA MET B 27 1.456 -6.366 -8.872 1.00 0.00 H new ATOM 0 HB2 MET B 27 2.886 -7.727 -6.575 1.00 0.00 H new ATOM 0 HB3 MET B 27 3.055 -8.072 -8.284 1.00 0.00 H new ATOM 0 HG2 MET B 27 4.343 -6.190 -8.692 1.00 0.00 H new ATOM 0 HG3 MET B 27 3.650 -5.285 -7.361 1.00 0.00 H new ATOM 0 HE1 MET B 27 7.540 -5.606 -6.593 1.00 0.00 H new ATOM 0 HE2 MET B 27 6.877 -5.727 -8.241 1.00 0.00 H new ATOM 0 HE3 MET B 27 6.230 -4.516 -7.108 1.00 0.00 H new ATOM 786 N ALA B 28 0.188 -8.577 -8.497 1.00 0.00 N ATOM 787 CA ALA B 28 -0.855 -9.611 -8.436 1.00 0.00 C ATOM 788 C ALA B 28 -0.955 -10.349 -7.101 1.00 0.00 C ATOM 789 O ALA B 28 -2.039 -10.439 -6.521 1.00 0.00 O ATOM 790 CB ALA B 28 -0.626 -10.628 -9.542 1.00 0.00 C ATOM 0 H ALA B 28 0.732 -8.604 -9.359 1.00 0.00 H new ATOM 0 HA ALA B 28 -1.798 -9.079 -8.560 1.00 0.00 H new ATOM 0 HB1 ALA B 28 -1.399 -11.395 -9.497 1.00 0.00 H new ATOM 0 HB2 ALA B 28 -0.666 -10.128 -10.510 1.00 0.00 H new ATOM 0 HB3 ALA B 28 0.352 -11.091 -9.413 1.00 0.00 H new ATOM 796 N GLU B 29 0.155 -10.881 -6.613 1.00 0.00 N ATOM 797 CA GLU B 29 0.125 -11.647 -5.372 1.00 0.00 C ATOM 798 C GLU B 29 0.893 -10.979 -4.238 1.00 0.00 C ATOM 799 O GLU B 29 0.963 -11.523 -3.130 1.00 0.00 O ATOM 800 CB GLU B 29 0.663 -13.063 -5.611 1.00 0.00 C ATOM 801 CG GLU B 29 1.870 -13.120 -6.533 1.00 0.00 C ATOM 802 CD GLU B 29 3.132 -13.545 -5.816 1.00 0.00 C ATOM 803 OE1 GLU B 29 3.583 -12.808 -4.915 1.00 0.00 O ATOM 804 OE2 GLU B 29 3.690 -14.606 -6.162 1.00 0.00 O ATOM 0 H GLU B 29 1.075 -10.800 -7.047 1.00 0.00 H new ATOM 0 HA GLU B 29 -0.918 -11.695 -5.059 1.00 0.00 H new ATOM 0 HB2 GLU B 29 0.931 -13.505 -4.651 1.00 0.00 H new ATOM 0 HB3 GLU B 29 -0.133 -13.676 -6.034 1.00 0.00 H new ATOM 0 HG2 GLU B 29 1.668 -13.816 -7.347 1.00 0.00 H new ATOM 0 HG3 GLU B 29 2.025 -12.139 -6.983 1.00 0.00 H new ATOM 811 N ARG B 30 1.422 -9.785 -4.469 1.00 0.00 N ATOM 812 CA ARG B 30 2.179 -9.115 -3.419 1.00 0.00 C ATOM 813 C ARG B 30 2.278 -7.618 -3.637 1.00 0.00 C ATOM 814 O ARG B 30 2.130 -7.125 -4.747 1.00 0.00 O ATOM 815 CB ARG B 30 3.582 -9.727 -3.276 1.00 0.00 C ATOM 816 CG ARG B 30 4.430 -9.714 -4.542 1.00 0.00 C ATOM 817 CD ARG B 30 5.696 -10.538 -4.338 1.00 0.00 C ATOM 818 NE ARG B 30 6.555 -10.590 -5.523 1.00 0.00 N ATOM 819 CZ ARG B 30 6.746 -11.691 -6.255 1.00 0.00 C ATOM 820 NH1 ARG B 30 6.001 -12.768 -6.057 1.00 0.00 N ATOM 821 NH2 ARG B 30 7.654 -11.701 -7.218 1.00 0.00 N ATOM 0 H ARG B 30 1.345 -9.272 -5.347 1.00 0.00 H new ATOM 0 HA ARG B 30 1.628 -9.271 -2.492 1.00 0.00 H new ATOM 0 HB2 ARG B 30 4.117 -9.188 -2.494 1.00 0.00 H new ATOM 0 HB3 ARG B 30 3.478 -10.758 -2.939 1.00 0.00 H new ATOM 0 HG2 ARG B 30 3.856 -10.117 -5.377 1.00 0.00 H new ATOM 0 HG3 ARG B 30 4.693 -8.689 -4.801 1.00 0.00 H new ATOM 0 HD2 ARG B 30 6.263 -10.120 -3.506 1.00 0.00 H new ATOM 0 HD3 ARG B 30 5.418 -11.553 -4.055 1.00 0.00 H new ATOM 0 HE ARG B 30 7.035 -9.736 -5.806 1.00 0.00 H new ATOM 0 HH11 ARG B 30 5.275 -12.761 -5.341 1.00 0.00 H new ATOM 0 HH12 ARG B 30 6.154 -13.604 -6.621 1.00 0.00 H new ATOM 0 HH21 ARG B 30 8.210 -10.866 -7.403 1.00 0.00 H new ATOM 0 HH22 ARG B 30 7.797 -12.543 -7.775 1.00 0.00 H new ATOM 835 N ILE B 31 2.508 -6.903 -2.555 1.00 0.00 N ATOM 836 CA ILE B 31 2.647 -5.461 -2.600 1.00 0.00 C ATOM 837 C ILE B 31 4.102 -5.102 -2.322 1.00 0.00 C ATOM 838 O ILE B 31 4.759 -5.755 -1.510 1.00 0.00 O ATOM 839 CB ILE B 31 1.710 -4.772 -1.576 1.00 0.00 C ATOM 840 CG1 ILE B 31 1.790 -3.250 -1.701 1.00 0.00 C ATOM 841 CG2 ILE B 31 2.039 -5.209 -0.155 1.00 0.00 C ATOM 842 CD1 ILE B 31 0.812 -2.519 -0.806 1.00 0.00 C ATOM 0 H ILE B 31 2.604 -7.303 -1.622 1.00 0.00 H new ATOM 0 HA ILE B 31 2.360 -5.105 -3.589 1.00 0.00 H new ATOM 0 HB ILE B 31 0.689 -5.080 -1.799 1.00 0.00 H new ATOM 0 HG12 ILE B 31 2.803 -2.926 -1.460 1.00 0.00 H new ATOM 0 HG13 ILE B 31 1.603 -2.968 -2.737 1.00 0.00 H new ATOM 0 HG21 ILE B 31 1.367 -4.711 0.544 1.00 0.00 H new ATOM 0 HG22 ILE B 31 1.917 -6.289 -0.069 1.00 0.00 H new ATOM 0 HG23 ILE B 31 3.069 -4.941 0.079 1.00 0.00 H new ATOM 0 HD11 ILE B 31 0.924 -1.444 -0.946 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -0.206 -2.814 -1.061 1.00 0.00 H new ATOM 0 HD13 ILE B 31 1.013 -2.772 0.235 1.00 0.00 H new ATOM 854 N ALA B 32 4.622 -4.101 -3.009 1.00 0.00 N ATOM 855 CA ALA B 32 6.003 -3.706 -2.809 1.00 0.00 C ATOM 856 C ALA B 32 6.151 -2.197 -2.775 1.00 0.00 C ATOM 857 O ALA B 32 5.309 -1.464 -3.294 1.00 0.00 O ATOM 858 CB ALA B 32 6.883 -4.304 -3.891 1.00 0.00 C ATOM 0 H ALA B 32 4.115 -3.552 -3.703 1.00 0.00 H new ATOM 0 HA ALA B 32 6.324 -4.090 -1.841 1.00 0.00 H new ATOM 0 HB1 ALA B 32 7.917 -3.999 -3.729 1.00 0.00 H new ATOM 0 HB2 ALA B 32 6.815 -5.391 -3.856 1.00 0.00 H new ATOM 0 HB3 ALA B 32 6.550 -3.951 -4.867 1.00 0.00 H new ATOM 864 N TRP B 33 7.230 -1.739 -2.166 1.00 0.00 N ATOM 865 CA TRP B 33 7.493 -0.323 -2.056 1.00 0.00 C ATOM 866 C TRP B 33 8.981 -0.042 -2.274 1.00 0.00 C ATOM 867 O TRP B 33 9.837 -0.857 -1.921 1.00 0.00 O ATOM 868 CB TRP B 33 7.017 0.190 -0.692 1.00 0.00 C ATOM 869 CG TRP B 33 7.143 1.669 -0.552 1.00 0.00 C ATOM 870 CD1 TRP B 33 6.209 2.609 -0.873 1.00 0.00 C ATOM 871 CD2 TRP B 33 8.279 2.380 -0.069 1.00 0.00 C ATOM 872 NE1 TRP B 33 6.703 3.860 -0.624 1.00 0.00 N ATOM 873 CE2 TRP B 33 7.971 3.743 -0.131 1.00 0.00 C ATOM 874 CE3 TRP B 33 9.529 1.992 0.409 1.00 0.00 C ATOM 875 CZ2 TRP B 33 8.865 4.724 0.260 1.00 0.00 C ATOM 876 CZ3 TRP B 33 10.418 2.966 0.801 1.00 0.00 C ATOM 877 CH2 TRP B 33 10.084 4.323 0.723 1.00 0.00 C ATOM 0 H TRP B 33 7.940 -2.334 -1.739 1.00 0.00 H new ATOM 0 HA TRP B 33 6.940 0.210 -2.830 1.00 0.00 H new ATOM 0 HB2 TRP B 33 5.976 -0.096 -0.545 1.00 0.00 H new ATOM 0 HB3 TRP B 33 7.595 -0.295 0.095 1.00 0.00 H new ATOM 0 HD1 TRP B 33 5.225 2.397 -1.266 1.00 0.00 H new ATOM 0 HE1 TRP B 33 6.206 4.737 -0.781 1.00 0.00 H new ATOM 0 HE3 TRP B 33 9.795 0.947 0.471 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 8.607 5.771 0.201 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 11.390 2.679 1.175 1.00 0.00 H new ATOM 0 HH2 TRP B 33 10.804 5.065 1.035 1.00 0.00 H new ATOM 888 N ALA B 34 9.266 1.107 -2.870 1.00 0.00 N ATOM 889 CA ALA B 34 10.625 1.531 -3.184 1.00 0.00 C ATOM 890 C ALA B 34 10.726 3.043 -3.053 1.00 0.00 C ATOM 891 O ALA B 34 9.824 3.741 -3.499 1.00 0.00 O ATOM 892 CB ALA B 34 11.005 1.096 -4.592 1.00 0.00 C ATOM 0 H ALA B 34 8.553 1.779 -3.153 1.00 0.00 H new ATOM 0 HA ALA B 34 11.317 1.062 -2.484 1.00 0.00 H new ATOM 0 HB1 ALA B 34 12.022 1.420 -4.811 1.00 0.00 H new ATOM 0 HB2 ALA B 34 10.946 0.010 -4.666 1.00 0.00 H new ATOM 0 HB3 ALA B 34 10.319 1.546 -5.309 1.00 0.00 H new ATOM 898 N PRO B 35 11.781 3.577 -2.406 1.00 0.00 N ATOM 899 CA PRO B 35 11.939 5.028 -2.247 1.00 0.00 C ATOM 900 C PRO B 35 11.875 5.765 -3.589 1.00 0.00 C ATOM 901 O PRO B 35 12.145 5.180 -4.641 1.00 0.00 O ATOM 902 CB PRO B 35 13.306 5.191 -1.595 1.00 0.00 C ATOM 903 CG PRO B 35 13.612 3.866 -0.978 1.00 0.00 C ATOM 904 CD PRO B 35 12.892 2.828 -1.800 1.00 0.00 C ATOM 0 HA PRO B 35 11.135 5.458 -1.650 1.00 0.00 H new ATOM 0 HB2 PRO B 35 14.062 5.466 -2.331 1.00 0.00 H new ATOM 0 HB3 PRO B 35 13.291 5.980 -0.843 1.00 0.00 H new ATOM 0 HG2 PRO B 35 14.686 3.680 -0.974 1.00 0.00 H new ATOM 0 HG3 PRO B 35 13.280 3.836 0.060 1.00 0.00 H new ATOM 0 HD2 PRO B 35 13.544 2.394 -2.558 1.00 0.00 H new ATOM 0 HD3 PRO B 35 12.531 2.006 -1.182 1.00 0.00 H new ATOM 992 N PHE B 41 12.755 -2.436 -5.203 1.00 0.00 N ATOM 993 CA PHE B 41 11.821 -2.524 -4.090 1.00 0.00 C ATOM 994 C PHE B 41 12.533 -2.959 -2.818 1.00 0.00 C ATOM 995 O PHE B 41 13.138 -4.028 -2.767 1.00 0.00 O ATOM 996 CB PHE B 41 10.695 -3.506 -4.421 1.00 0.00 C ATOM 997 CG PHE B 41 10.226 -3.427 -5.848 1.00 0.00 C ATOM 998 CD1 PHE B 41 9.443 -2.367 -6.279 1.00 0.00 C ATOM 999 CD2 PHE B 41 10.574 -4.412 -6.761 1.00 0.00 C ATOM 1000 CE1 PHE B 41 9.017 -2.292 -7.591 1.00 0.00 C ATOM 1001 CE2 PHE B 41 10.150 -4.341 -8.073 1.00 0.00 C ATOM 1002 CZ PHE B 41 9.370 -3.279 -8.489 1.00 0.00 C ATOM 0 HA PHE B 41 11.394 -1.535 -3.925 1.00 0.00 H new ATOM 0 HB2 PHE B 41 11.037 -4.520 -4.216 1.00 0.00 H new ATOM 0 HB3 PHE B 41 9.851 -3.314 -3.759 1.00 0.00 H new ATOM 0 HD1 PHE B 41 9.163 -1.591 -5.581 1.00 0.00 H new ATOM 0 HD2 PHE B 41 11.184 -5.244 -6.442 1.00 0.00 H new ATOM 0 HE1 PHE B 41 8.408 -1.461 -7.914 1.00 0.00 H new ATOM 0 HE2 PHE B 41 10.428 -5.115 -8.773 1.00 0.00 H new ATOM 0 HZ PHE B 41 9.037 -3.221 -9.515 1.00 0.00 H new ATOM 1012 N THR B 42 12.458 -2.121 -1.799 1.00 0.00 N ATOM 1013 CA THR B 42 13.090 -2.405 -0.524 1.00 0.00 C ATOM 1014 C THR B 42 12.115 -3.096 0.417 1.00 0.00 C ATOM 1015 O THR B 42 12.508 -3.722 1.401 1.00 0.00 O ATOM 1016 CB THR B 42 13.584 -1.103 0.127 1.00 0.00 C ATOM 1017 OG1 THR B 42 12.553 -0.106 0.062 1.00 0.00 O ATOM 1018 CG2 THR B 42 14.824 -0.588 -0.579 1.00 0.00 C ATOM 0 H THR B 42 11.961 -1.231 -1.832 1.00 0.00 H new ATOM 0 HA THR B 42 13.938 -3.065 -0.708 1.00 0.00 H new ATOM 0 HB THR B 42 13.831 -1.311 1.168 1.00 0.00 H new ATOM 0 HG1 THR B 42 12.806 0.663 0.614 1.00 0.00 H new ATOM 0 HG21 THR B 42 15.157 0.334 -0.103 1.00 0.00 H new ATOM 0 HG22 THR B 42 15.615 -1.335 -0.516 1.00 0.00 H new ATOM 0 HG23 THR B 42 14.592 -0.392 -1.626 1.00 0.00 H new ATOM 1026 N ILE B 43 10.839 -2.976 0.098 1.00 0.00 N ATOM 1027 CA ILE B 43 9.786 -3.561 0.901 1.00 0.00 C ATOM 1028 C ILE B 43 8.847 -4.387 0.027 1.00 0.00 C ATOM 1029 O ILE B 43 8.448 -3.946 -1.047 1.00 0.00 O ATOM 1030 CB ILE B 43 9.001 -2.446 1.635 1.00 0.00 C ATOM 1031 CG1 ILE B 43 9.800 -1.947 2.844 1.00 0.00 C ATOM 1032 CG2 ILE B 43 7.619 -2.923 2.065 1.00 0.00 C ATOM 1033 CD1 ILE B 43 9.226 -0.701 3.483 1.00 0.00 C ATOM 0 H ILE B 43 10.506 -2.471 -0.723 1.00 0.00 H new ATOM 0 HA ILE B 43 10.234 -4.222 1.643 1.00 0.00 H new ATOM 0 HB ILE B 43 8.859 -1.620 0.938 1.00 0.00 H new ATOM 0 HG12 ILE B 43 9.844 -2.740 3.591 1.00 0.00 H new ATOM 0 HG13 ILE B 43 10.825 -1.745 2.532 1.00 0.00 H new ATOM 0 HG21 ILE B 43 7.098 -2.114 2.577 1.00 0.00 H new ATOM 0 HG22 ILE B 43 7.048 -3.224 1.186 1.00 0.00 H new ATOM 0 HG23 ILE B 43 7.721 -3.773 2.740 1.00 0.00 H new ATOM 0 HD11 ILE B 43 9.845 -0.409 4.331 1.00 0.00 H new ATOM 0 HD12 ILE B 43 9.207 0.107 2.752 1.00 0.00 H new ATOM 0 HD13 ILE B 43 8.212 -0.903 3.827 1.00 0.00 H new ATOM 1045 N SER B 44 8.528 -5.594 0.479 1.00 0.00 N ATOM 1046 CA SER B 44 7.634 -6.482 -0.245 1.00 0.00 C ATOM 1047 C SER B 44 6.837 -7.313 0.756 1.00 0.00 C ATOM 1048 O SER B 44 7.403 -7.840 1.714 1.00 0.00 O ATOM 1049 CB SER B 44 8.442 -7.389 -1.176 1.00 0.00 C ATOM 1050 OG SER B 44 7.618 -7.986 -2.163 1.00 0.00 O ATOM 0 H SER B 44 8.881 -5.981 1.354 1.00 0.00 H new ATOM 0 HA SER B 44 6.944 -5.897 -0.852 1.00 0.00 H new ATOM 0 HB2 SER B 44 9.228 -6.809 -1.659 1.00 0.00 H new ATOM 0 HB3 SER B 44 8.933 -8.167 -0.592 1.00 0.00 H new ATOM 0 HG SER B 44 8.164 -8.558 -2.743 1.00 0.00 H new ATOM 1056 N HIS B 45 5.530 -7.420 0.542 1.00 0.00 N ATOM 1057 CA HIS B 45 4.667 -8.168 1.436 1.00 0.00 C ATOM 1058 C HIS B 45 3.628 -8.905 0.627 1.00 0.00 C ATOM 1059 O HIS B 45 2.940 -8.310 -0.204 1.00 0.00 O ATOM 1060 CB HIS B 45 3.953 -7.238 2.434 1.00 0.00 C ATOM 1061 CG HIS B 45 4.869 -6.402 3.282 1.00 0.00 C ATOM 1062 ND1 HIS B 45 5.831 -6.923 4.118 1.00 0.00 N ATOM 1063 CD2 HIS B 45 4.949 -5.053 3.413 1.00 0.00 C ATOM 1064 CE1 HIS B 45 6.450 -5.900 4.721 1.00 0.00 C ATOM 1065 NE2 HIS B 45 5.955 -4.743 4.327 1.00 0.00 N ATOM 0 H HIS B 45 5.047 -6.994 -0.249 1.00 0.00 H new ATOM 0 HA HIS B 45 5.286 -8.869 1.996 1.00 0.00 H new ATOM 0 HB2 HIS B 45 3.288 -6.575 1.880 1.00 0.00 H new ATOM 0 HB3 HIS B 45 3.326 -7.843 3.089 1.00 0.00 H new ATOM 0 HD2 HIS B 45 4.332 -4.335 2.893 1.00 0.00 H new ATOM 0 HE1 HIS B 45 7.251 -6.009 5.437 1.00 0.00 H new ATOM 0 HE2 HIS B 45 6.248 -3.814 4.629 1.00 0.00 H new ATOM 1073 N MET B 46 3.525 -10.196 0.843 1.00 0.00 N ATOM 1074 CA MET B 46 2.541 -10.979 0.140 1.00 0.00 C ATOM 1075 C MET B 46 1.188 -10.724 0.765 1.00 0.00 C ATOM 1076 O MET B 46 1.087 -10.475 1.965 1.00 0.00 O ATOM 1077 CB MET B 46 2.877 -12.470 0.191 1.00 0.00 C ATOM 1078 CG MET B 46 3.738 -12.945 -0.967 1.00 0.00 C ATOM 1079 SD MET B 46 3.904 -14.740 -1.014 1.00 0.00 S ATOM 1080 CE MET B 46 4.571 -14.967 -2.661 1.00 0.00 C ATOM 0 H MET B 46 4.107 -10.721 1.495 1.00 0.00 H new ATOM 0 HA MET B 46 2.532 -10.684 -0.909 1.00 0.00 H new ATOM 0 HB2 MET B 46 3.393 -12.685 1.127 1.00 0.00 H new ATOM 0 HB3 MET B 46 1.949 -13.042 0.200 1.00 0.00 H new ATOM 0 HG2 MET B 46 3.303 -12.599 -1.905 1.00 0.00 H new ATOM 0 HG3 MET B 46 4.727 -12.494 -0.889 1.00 0.00 H new ATOM 0 HE1 MET B 46 5.071 -15.934 -2.721 1.00 0.00 H new ATOM 0 HE2 MET B 46 3.761 -14.931 -3.390 1.00 0.00 H new ATOM 0 HE3 MET B 46 5.287 -14.174 -2.876 1.00 0.00 H new ATOM 1090 N TYR B 47 0.157 -10.744 -0.051 1.00 0.00 N ATOM 1091 CA TYR B 47 -1.208 -10.526 0.433 1.00 0.00 C ATOM 1092 C TYR B 47 -1.624 -11.579 1.466 1.00 0.00 C ATOM 1093 O TYR B 47 -2.692 -11.480 2.064 1.00 0.00 O ATOM 1094 CB TYR B 47 -2.193 -10.497 -0.733 1.00 0.00 C ATOM 1095 CG TYR B 47 -1.928 -9.364 -1.693 1.00 0.00 C ATOM 1096 CD1 TYR B 47 -1.707 -8.075 -1.227 1.00 0.00 C ATOM 1097 CD2 TYR B 47 -1.878 -9.584 -3.059 1.00 0.00 C ATOM 1098 CE1 TYR B 47 -1.447 -7.039 -2.098 1.00 0.00 C ATOM 1099 CE2 TYR B 47 -1.613 -8.551 -3.935 1.00 0.00 C ATOM 1100 CZ TYR B 47 -1.398 -7.281 -3.450 1.00 0.00 C ATOM 1101 OH TYR B 47 -1.131 -6.251 -4.322 1.00 0.00 O ATOM 0 H TYR B 47 0.228 -10.908 -1.055 1.00 0.00 H new ATOM 0 HA TYR B 47 -1.226 -9.557 0.932 1.00 0.00 H new ATOM 0 HB2 TYR B 47 -2.140 -11.443 -1.271 1.00 0.00 H new ATOM 0 HB3 TYR B 47 -3.207 -10.408 -0.344 1.00 0.00 H new ATOM 0 HD1 TYR B 47 -1.739 -7.881 -0.165 1.00 0.00 H new ATOM 0 HD2 TYR B 47 -2.049 -10.578 -3.445 1.00 0.00 H new ATOM 0 HE1 TYR B 47 -1.282 -6.041 -1.720 1.00 0.00 H new ATOM 0 HE2 TYR B 47 -1.574 -8.739 -4.998 1.00 0.00 H new ATOM 0 HH TYR B 47 -0.671 -6.603 -5.113 1.00 0.00 H new ATOM 1111 N ALA B 48 -0.783 -12.587 1.660 1.00 0.00 N ATOM 1112 CA ALA B 48 -1.050 -13.626 2.642 1.00 0.00 C ATOM 1113 C ALA B 48 -0.474 -13.227 3.997 1.00 0.00 C ATOM 1114 O ALA B 48 -0.898 -13.734 5.036 1.00 0.00 O ATOM 1115 CB ALA B 48 -0.469 -14.956 2.187 1.00 0.00 C ATOM 0 H ALA B 48 0.091 -12.706 1.148 1.00 0.00 H new ATOM 0 HA ALA B 48 -2.129 -13.742 2.741 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -0.679 -15.720 2.935 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -0.920 -15.244 1.237 1.00 0.00 H new ATOM 0 HB3 ALA B 48 0.609 -14.858 2.062 1.00 0.00 H new ATOM 1121 N ASP B 49 0.492 -12.308 3.976 1.00 0.00 N ATOM 1122 CA ASP B 49 1.129 -11.831 5.202 1.00 0.00 C ATOM 1123 C ASP B 49 0.418 -10.589 5.705 1.00 0.00 C ATOM 1124 O ASP B 49 0.735 -10.067 6.775 1.00 0.00 O ATOM 1125 CB ASP B 49 2.614 -11.491 4.992 1.00 0.00 C ATOM 1126 CG ASP B 49 3.312 -12.366 3.970 1.00 0.00 C ATOM 1127 OD1 ASP B 49 3.226 -13.605 4.082 1.00 0.00 O ATOM 1128 OD2 ASP B 49 3.956 -11.803 3.055 1.00 0.00 O ATOM 0 H ASP B 49 0.850 -11.879 3.122 1.00 0.00 H new ATOM 0 HA ASP B 49 1.060 -12.639 5.931 1.00 0.00 H new ATOM 0 HB2 ASP B 49 2.696 -10.450 4.680 1.00 0.00 H new ATOM 0 HB3 ASP B 49 3.134 -11.580 5.946 1.00 0.00 H new ATOM 1133 N ILE B 50 -0.530 -10.105 4.922 1.00 0.00 N ATOM 1134 CA ILE B 50 -1.296 -8.929 5.288 1.00 0.00 C ATOM 1135 C ILE B 50 -2.606 -9.359 5.935 1.00 0.00 C ATOM 1136 O ILE B 50 -3.471 -9.945 5.287 1.00 0.00 O ATOM 1137 CB ILE B 50 -1.571 -8.031 4.069 1.00 0.00 C ATOM 1138 CG1 ILE B 50 -0.249 -7.568 3.452 1.00 0.00 C ATOM 1139 CG2 ILE B 50 -2.422 -6.833 4.466 1.00 0.00 C ATOM 1140 CD1 ILE B 50 -0.396 -6.983 2.065 1.00 0.00 C ATOM 0 H ILE B 50 -0.788 -10.512 4.023 1.00 0.00 H new ATOM 0 HA ILE B 50 -0.711 -8.345 5.998 1.00 0.00 H new ATOM 0 HB ILE B 50 -2.123 -8.609 3.327 1.00 0.00 H new ATOM 0 HG12 ILE B 50 0.205 -6.822 4.105 1.00 0.00 H new ATOM 0 HG13 ILE B 50 0.437 -8.414 3.409 1.00 0.00 H new ATOM 0 HG21 ILE B 50 -2.605 -6.211 3.590 1.00 0.00 H new ATOM 0 HG22 ILE B 50 -3.373 -7.180 4.870 1.00 0.00 H new ATOM 0 HG23 ILE B 50 -1.898 -6.249 5.223 1.00 0.00 H new ATOM 0 HD11 ILE B 50 0.582 -6.678 1.693 1.00 0.00 H new ATOM 0 HD12 ILE B 50 -0.820 -7.733 1.397 1.00 0.00 H new ATOM 0 HD13 ILE B 50 -1.056 -6.117 2.104 1.00 0.00 H new ATOM 1152 N LYS B 51 -2.734 -9.063 7.215 1.00 0.00 N ATOM 1153 CA LYS B 51 -3.905 -9.442 7.987 1.00 0.00 C ATOM 1154 C LYS B 51 -5.034 -8.414 7.876 1.00 0.00 C ATOM 1155 O LYS B 51 -6.209 -8.783 7.914 1.00 0.00 O ATOM 1156 CB LYS B 51 -3.484 -9.630 9.451 1.00 0.00 C ATOM 1157 CG LYS B 51 -4.631 -9.822 10.430 1.00 0.00 C ATOM 1158 CD LYS B 51 -4.234 -9.376 11.829 1.00 0.00 C ATOM 1159 CE LYS B 51 -5.366 -9.580 12.827 1.00 0.00 C ATOM 1160 NZ LYS B 51 -6.274 -8.400 12.887 1.00 0.00 N ATOM 0 H LYS B 51 -2.030 -8.553 7.749 1.00 0.00 H new ATOM 0 HA LYS B 51 -4.300 -10.375 7.584 1.00 0.00 H new ATOM 0 HB2 LYS B 51 -2.823 -10.494 9.515 1.00 0.00 H new ATOM 0 HB3 LYS B 51 -2.903 -8.761 9.761 1.00 0.00 H new ATOM 0 HG2 LYS B 51 -5.498 -9.253 10.096 1.00 0.00 H new ATOM 0 HG3 LYS B 51 -4.926 -10.871 10.449 1.00 0.00 H new ATOM 0 HD2 LYS B 51 -3.357 -9.935 12.154 1.00 0.00 H new ATOM 0 HD3 LYS B 51 -3.952 -8.323 11.809 1.00 0.00 H new ATOM 0 HE2 LYS B 51 -5.939 -10.465 12.550 1.00 0.00 H new ATOM 0 HE3 LYS B 51 -4.948 -9.767 13.816 1.00 0.00 H new ATOM 0 HZ1 LYS B 51 -7.209 -8.699 13.231 1.00 0.00 H new ATOM 0 HZ2 LYS B 51 -5.877 -7.689 13.535 1.00 0.00 H new ATOM 0 HZ3 LYS B 51 -6.370 -7.987 11.937 1.00 0.00 H new ATOM 1174 N CYS B 52 -4.695 -7.132 7.755 1.00 0.00 N ATOM 1175 CA CYS B 52 -5.726 -6.087 7.675 1.00 0.00 C ATOM 1176 C CYS B 52 -5.271 -4.880 6.861 1.00 0.00 C ATOM 1177 O CYS B 52 -4.087 -4.733 6.566 1.00 0.00 O ATOM 1178 CB CYS B 52 -6.100 -5.603 9.080 1.00 0.00 C ATOM 1179 SG CYS B 52 -6.191 -6.903 10.320 1.00 0.00 S ATOM 0 H CYS B 52 -3.735 -6.791 7.710 1.00 0.00 H new ATOM 0 HA CYS B 52 -6.585 -6.538 7.178 1.00 0.00 H new ATOM 0 HB2 CYS B 52 -5.368 -4.863 9.402 1.00 0.00 H new ATOM 0 HB3 CYS B 52 -7.064 -5.097 9.031 1.00 0.00 H new ATOM 0 HG CYS B 52 -7.430 -7.085 10.667 1.00 0.00 H new ATOM 1185 N GLN B 53 -6.221 -4.005 6.518 1.00 0.00 N ATOM 1186 CA GLN B 53 -5.918 -2.795 5.780 1.00 0.00 C ATOM 1187 C GLN B 53 -6.775 -1.661 6.301 1.00 0.00 C ATOM 1188 O GLN B 53 -7.987 -1.806 6.459 1.00 0.00 O ATOM 1189 CB GLN B 53 -6.132 -2.964 4.270 1.00 0.00 C ATOM 1190 CG GLN B 53 -7.543 -3.350 3.854 1.00 0.00 C ATOM 1191 CD GLN B 53 -7.722 -3.316 2.345 1.00 0.00 C ATOM 1192 OE1 GLN B 53 -7.411 -4.279 1.653 1.00 0.00 O ATOM 1193 NE2 GLN B 53 -8.234 -2.212 1.821 1.00 0.00 N ATOM 0 H GLN B 53 -7.209 -4.121 6.745 1.00 0.00 H new ATOM 0 HA GLN B 53 -4.862 -2.569 5.931 1.00 0.00 H new ATOM 0 HB2 GLN B 53 -5.868 -2.029 3.775 1.00 0.00 H new ATOM 0 HB3 GLN B 53 -5.442 -3.725 3.905 1.00 0.00 H new ATOM 0 HG2 GLN B 53 -7.769 -4.350 4.223 1.00 0.00 H new ATOM 0 HG3 GLN B 53 -8.257 -2.670 4.319 1.00 0.00 H new ATOM 0 HE21 GLN B 53 -8.482 -1.428 2.425 1.00 0.00 H new ATOM 0 HE22 GLN B 53 -8.380 -2.146 0.814 1.00 0.00 H new ATOM 1202 N LYS B 54 -6.140 -0.551 6.617 1.00 0.00 N ATOM 1203 CA LYS B 54 -6.860 0.605 7.085 1.00 0.00 C ATOM 1204 C LYS B 54 -6.673 1.721 6.092 1.00 0.00 C ATOM 1205 O LYS B 54 -5.766 1.675 5.258 1.00 0.00 O ATOM 1206 CB LYS B 54 -6.351 1.152 8.410 1.00 0.00 C ATOM 1207 CG LYS B 54 -5.720 0.195 9.391 1.00 0.00 C ATOM 1208 CD LYS B 54 -5.408 0.980 10.658 1.00 0.00 C ATOM 1209 CE LYS B 54 -5.644 0.202 11.934 1.00 0.00 C ATOM 1210 NZ LYS B 54 -6.147 1.082 13.025 1.00 0.00 N ATOM 0 H LYS B 54 -5.129 -0.429 6.557 1.00 0.00 H new ATOM 0 HA LYS B 54 -7.894 0.283 7.207 1.00 0.00 H new ATOM 0 HB2 LYS B 54 -5.620 1.929 8.188 1.00 0.00 H new ATOM 0 HB3 LYS B 54 -7.189 1.636 8.912 1.00 0.00 H new ATOM 0 HG2 LYS B 54 -6.396 -0.632 9.609 1.00 0.00 H new ATOM 0 HG3 LYS B 54 -4.811 -0.238 8.974 1.00 0.00 H new ATOM 0 HD2 LYS B 54 -4.367 1.302 10.627 1.00 0.00 H new ATOM 0 HD3 LYS B 54 -6.020 1.882 10.675 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -6.363 -0.595 11.747 1.00 0.00 H new ATOM 0 HE3 LYS B 54 -4.715 -0.274 12.248 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -6.378 0.504 13.858 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 -5.414 1.776 13.277 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -7.000 1.582 12.702 1.00 0.00 H new ATOM 1224 N ILE B 55 -7.490 2.745 6.215 1.00 0.00 N ATOM 1225 CA ILE B 55 -7.367 3.904 5.329 1.00 0.00 C ATOM 1226 C ILE B 55 -7.522 5.223 6.092 1.00 0.00 C ATOM 1227 O ILE B 55 -8.539 5.459 6.743 1.00 0.00 O ATOM 1228 CB ILE B 55 -8.354 3.856 4.136 1.00 0.00 C ATOM 1229 CG1 ILE B 55 -9.809 3.839 4.593 1.00 0.00 C ATOM 1230 CG2 ILE B 55 -8.080 2.640 3.274 1.00 0.00 C ATOM 1231 CD1 ILE B 55 -10.777 3.681 3.441 1.00 0.00 C ATOM 0 H ILE B 55 -8.238 2.808 6.905 1.00 0.00 H new ATOM 0 HA ILE B 55 -6.358 3.857 4.920 1.00 0.00 H new ATOM 0 HB ILE B 55 -8.196 4.764 3.555 1.00 0.00 H new ATOM 0 HG12 ILE B 55 -9.955 3.022 5.300 1.00 0.00 H new ATOM 0 HG13 ILE B 55 -10.030 4.764 5.125 1.00 0.00 H new ATOM 0 HG21 ILE B 55 -8.781 2.620 2.440 1.00 0.00 H new ATOM 0 HG22 ILE B 55 -7.061 2.688 2.890 1.00 0.00 H new ATOM 0 HG23 ILE B 55 -8.200 1.736 3.871 1.00 0.00 H new ATOM 0 HD11 ILE B 55 -11.798 3.675 3.822 1.00 0.00 H new ATOM 0 HD12 ILE B 55 -10.654 4.511 2.746 1.00 0.00 H new ATOM 0 HD13 ILE B 55 -10.577 2.742 2.924 1.00 0.00 H new ATOM 1243 N SER B 56 -6.471 6.050 6.068 1.00 0.00 N ATOM 1244 CA SER B 56 -6.511 7.348 6.731 1.00 0.00 C ATOM 1245 C SER B 56 -7.186 8.371 5.845 1.00 0.00 C ATOM 1246 O SER B 56 -6.695 8.664 4.742 1.00 0.00 O ATOM 1247 CB SER B 56 -5.123 7.838 7.101 1.00 0.00 C ATOM 1248 OG SER B 56 -4.764 7.409 8.400 1.00 0.00 O ATOM 0 H SER B 56 -5.590 5.841 5.599 1.00 0.00 H new ATOM 0 HA SER B 56 -7.083 7.222 7.650 1.00 0.00 H new ATOM 0 HB2 SER B 56 -4.397 7.466 6.378 1.00 0.00 H new ATOM 0 HB3 SER B 56 -5.093 8.926 7.052 1.00 0.00 H new ATOM 0 HG SER B 56 -4.725 6.430 8.422 1.00 0.00 H new ATOM 1254 N PRO B 57 -8.274 8.960 6.374 1.00 0.00 N ATOM 1255 CA PRO B 57 -9.115 9.935 5.667 1.00 0.00 C ATOM 1256 C PRO B 57 -8.414 11.245 5.332 1.00 0.00 C ATOM 1257 O PRO B 57 -7.388 11.596 5.926 1.00 0.00 O ATOM 1258 CB PRO B 57 -10.228 10.237 6.671 1.00 0.00 C ATOM 1259 CG PRO B 57 -9.630 9.930 7.996 1.00 0.00 C ATOM 1260 CD PRO B 57 -8.743 8.749 7.758 1.00 0.00 C ATOM 0 HA PRO B 57 -9.433 9.524 4.709 1.00 0.00 H new ATOM 0 HB2 PRO B 57 -10.545 11.278 6.611 1.00 0.00 H new ATOM 0 HB3 PRO B 57 -11.109 9.624 6.482 1.00 0.00 H new ATOM 0 HG2 PRO B 57 -9.063 10.778 8.379 1.00 0.00 H new ATOM 0 HG3 PRO B 57 -10.400 9.703 8.733 1.00 0.00 H new ATOM 0 HD2 PRO B 57 -7.914 8.718 8.465 1.00 0.00 H new ATOM 0 HD3 PRO B 57 -9.286 7.809 7.862 1.00 0.00 H new ATOM 1268 N GLU B 58 -8.990 11.966 4.384 1.00 0.00 N ATOM 1269 CA GLU B 58 -8.484 13.263 3.987 1.00 0.00 C ATOM 1270 C GLU B 58 -8.864 14.290 5.049 1.00 0.00 C ATOM 1271 O GLU B 58 -10.044 14.553 5.279 1.00 0.00 O ATOM 1272 CB GLU B 58 -9.069 13.675 2.632 1.00 0.00 C ATOM 1273 CG GLU B 58 -8.474 12.934 1.444 1.00 0.00 C ATOM 1274 CD GLU B 58 -8.905 11.479 1.358 1.00 0.00 C ATOM 1275 OE1 GLU B 58 -9.940 11.121 1.958 1.00 0.00 O ATOM 1276 OE2 GLU B 58 -8.205 10.693 0.681 1.00 0.00 O ATOM 0 H GLU B 58 -9.819 11.667 3.871 1.00 0.00 H new ATOM 0 HA GLU B 58 -7.399 13.212 3.892 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -10.146 13.508 2.648 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -8.915 14.745 2.493 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -8.763 13.445 0.526 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -7.387 12.979 1.505 1.00 0.00 H new ATOM 1283 N GLY B 59 -7.863 14.853 5.699 1.00 0.00 N ATOM 1284 CA GLY B 59 -8.107 15.834 6.739 1.00 0.00 C ATOM 1285 C GLY B 59 -6.817 16.278 7.379 1.00 0.00 C ATOM 1286 O GLY B 59 -6.653 17.442 7.738 1.00 0.00 O ATOM 0 H GLY B 59 -6.879 14.649 5.527 1.00 0.00 H new ATOM 0 HA2 GLY B 59 -8.622 16.696 6.316 1.00 0.00 H new ATOM 0 HA3 GLY B 59 -8.765 15.409 7.497 1.00 0.00 H new ATOM 1290 N LYS B 60 -5.900 15.334 7.530 1.00 0.00 N ATOM 1291 CA LYS B 60 -4.598 15.626 8.099 1.00 0.00 C ATOM 1292 C LYS B 60 -3.712 16.223 7.016 1.00 0.00 C ATOM 1293 O LYS B 60 -4.127 16.335 5.864 1.00 0.00 O ATOM 1294 CB LYS B 60 -3.953 14.350 8.660 1.00 0.00 C ATOM 1295 CG LYS B 60 -4.616 13.830 9.929 1.00 0.00 C ATOM 1296 CD LYS B 60 -3.731 14.028 11.155 1.00 0.00 C ATOM 1297 CE LYS B 60 -2.573 13.041 11.188 1.00 0.00 C ATOM 1298 NZ LYS B 60 -1.895 13.029 12.511 1.00 0.00 N ATOM 0 H LYS B 60 -6.036 14.358 7.265 1.00 0.00 H new ATOM 0 HA LYS B 60 -4.714 16.335 8.918 1.00 0.00 H new ATOM 0 HB2 LYS B 60 -3.989 13.571 7.898 1.00 0.00 H new ATOM 0 HB3 LYS B 60 -2.901 14.547 8.866 1.00 0.00 H new ATOM 0 HG2 LYS B 60 -5.565 14.344 10.080 1.00 0.00 H new ATOM 0 HG3 LYS B 60 -4.843 12.770 9.812 1.00 0.00 H new ATOM 0 HD2 LYS B 60 -3.340 15.046 11.159 1.00 0.00 H new ATOM 0 HD3 LYS B 60 -4.331 13.913 12.058 1.00 0.00 H new ATOM 0 HE2 LYS B 60 -2.941 12.041 10.959 1.00 0.00 H new ATOM 0 HE3 LYS B 60 -1.852 13.300 10.413 1.00 0.00 H new ATOM 0 HZ1 LYS B 60 -1.033 12.449 12.454 1.00 0.00 H new ATOM 0 HZ2 LYS B 60 -1.641 14.001 12.780 1.00 0.00 H new ATOM 0 HZ3 LYS B 60 -2.535 12.628 13.226 1.00 0.00 H new ATOM 1312 N ALA B 61 -2.490 16.584 7.374 1.00 0.00 N ATOM 1313 CA ALA B 61 -1.551 17.149 6.411 1.00 0.00 C ATOM 1314 C ALA B 61 -0.935 16.038 5.564 1.00 0.00 C ATOM 1315 O ALA B 61 0.103 16.220 4.929 1.00 0.00 O ATOM 1316 CB ALA B 61 -0.469 17.940 7.129 1.00 0.00 C ATOM 0 H ALA B 61 -2.123 16.497 8.322 1.00 0.00 H new ATOM 0 HA ALA B 61 -2.090 17.829 5.751 1.00 0.00 H new ATOM 0 HB1 ALA B 61 0.224 18.355 6.397 1.00 0.00 H new ATOM 0 HB2 ALA B 61 -0.927 18.750 7.696 1.00 0.00 H new ATOM 0 HB3 ALA B 61 0.072 17.282 7.809 1.00 0.00 H new ATOM 1322 N LYS B 62 -1.594 14.888 5.574 1.00 0.00 N ATOM 1323 CA LYS B 62 -1.155 13.721 4.838 1.00 0.00 C ATOM 1324 C LYS B 62 -2.295 12.708 4.749 1.00 0.00 C ATOM 1325 O LYS B 62 -3.145 12.638 5.640 1.00 0.00 O ATOM 1326 CB LYS B 62 0.078 13.095 5.509 1.00 0.00 C ATOM 1327 CG LYS B 62 0.056 13.153 7.032 1.00 0.00 C ATOM 1328 CD LYS B 62 1.405 12.779 7.636 1.00 0.00 C ATOM 1329 CE LYS B 62 1.738 11.306 7.431 1.00 0.00 C ATOM 1330 NZ LYS B 62 2.781 10.826 8.380 1.00 0.00 N ATOM 0 H LYS B 62 -2.456 14.742 6.100 1.00 0.00 H new ATOM 0 HA LYS B 62 -0.874 14.022 3.829 1.00 0.00 H new ATOM 0 HB2 LYS B 62 0.158 12.054 5.197 1.00 0.00 H new ATOM 0 HB3 LYS B 62 0.972 13.605 5.150 1.00 0.00 H new ATOM 0 HG2 LYS B 62 -0.219 14.158 7.353 1.00 0.00 H new ATOM 0 HG3 LYS B 62 -0.711 12.477 7.410 1.00 0.00 H new ATOM 0 HD2 LYS B 62 2.186 13.392 7.186 1.00 0.00 H new ATOM 0 HD3 LYS B 62 1.399 13.003 8.703 1.00 0.00 H new ATOM 0 HE2 LYS B 62 0.834 10.710 7.556 1.00 0.00 H new ATOM 0 HE3 LYS B 62 2.082 11.152 6.408 1.00 0.00 H new ATOM 0 HZ1 LYS B 62 2.866 9.792 8.308 1.00 0.00 H new ATOM 0 HZ2 LYS B 62 3.694 11.266 8.144 1.00 0.00 H new ATOM 0 HZ3 LYS B 62 2.513 11.085 9.351 1.00 0.00 H new ATOM 1344 N ILE B 63 -2.314 11.953 3.662 1.00 0.00 N ATOM 1345 CA ILE B 63 -3.333 10.929 3.421 1.00 0.00 C ATOM 1346 C ILE B 63 -2.650 9.568 3.473 1.00 0.00 C ATOM 1347 O ILE B 63 -1.542 9.437 2.953 1.00 0.00 O ATOM 1348 CB ILE B 63 -4.005 11.132 2.040 1.00 0.00 C ATOM 1349 CG1 ILE B 63 -4.566 12.553 1.916 1.00 0.00 C ATOM 1350 CG2 ILE B 63 -5.108 10.110 1.815 1.00 0.00 C ATOM 1351 CD1 ILE B 63 -3.703 13.483 1.087 1.00 0.00 C ATOM 0 H ILE B 63 -1.623 12.029 2.916 1.00 0.00 H new ATOM 0 HA ILE B 63 -4.112 10.998 4.181 1.00 0.00 H new ATOM 0 HB ILE B 63 -3.244 10.989 1.273 1.00 0.00 H new ATOM 0 HG12 ILE B 63 -5.560 12.503 1.472 1.00 0.00 H new ATOM 0 HG13 ILE B 63 -4.683 12.975 2.914 1.00 0.00 H new ATOM 0 HG21 ILE B 63 -5.563 10.275 0.838 1.00 0.00 H new ATOM 0 HG22 ILE B 63 -4.687 9.105 1.854 1.00 0.00 H new ATOM 0 HG23 ILE B 63 -5.866 10.216 2.591 1.00 0.00 H new ATOM 0 HD11 ILE B 63 -4.166 14.469 1.046 1.00 0.00 H new ATOM 0 HD12 ILE B 63 -2.716 13.565 1.541 1.00 0.00 H new ATOM 0 HD13 ILE B 63 -3.606 13.085 0.077 1.00 0.00 H new ATOM 1363 N GLN B 64 -3.266 8.541 4.077 1.00 0.00 N ATOM 1364 CA GLN B 64 -2.546 7.258 4.173 1.00 0.00 C ATOM 1365 C GLN B 64 -3.404 6.006 3.976 1.00 0.00 C ATOM 1366 O GLN B 64 -4.628 6.030 4.061 1.00 0.00 O ATOM 1367 CB GLN B 64 -1.834 7.127 5.527 1.00 0.00 C ATOM 1368 CG GLN B 64 -0.887 8.261 5.874 1.00 0.00 C ATOM 1369 CD GLN B 64 -1.527 9.319 6.744 1.00 0.00 C ATOM 1370 OE1 GLN B 64 -1.235 10.495 6.613 1.00 0.00 O ATOM 1371 NE2 GLN B 64 -2.388 8.910 7.655 1.00 0.00 N ATOM 0 H GLN B 64 -4.201 8.562 4.484 1.00 0.00 H new ATOM 0 HA GLN B 64 -1.840 7.298 3.343 1.00 0.00 H new ATOM 0 HB2 GLN B 64 -2.589 7.053 6.310 1.00 0.00 H new ATOM 0 HB3 GLN B 64 -1.274 6.192 5.535 1.00 0.00 H new ATOM 0 HG2 GLN B 64 -0.015 7.855 6.387 1.00 0.00 H new ATOM 0 HG3 GLN B 64 -0.529 8.723 4.954 1.00 0.00 H new ATOM 0 HE21 GLN B 64 -2.610 7.918 7.738 1.00 0.00 H new ATOM 0 HE22 GLN B 64 -2.832 9.586 8.277 1.00 0.00 H new ATOM 1380 N LEU B 65 -2.690 4.909 3.719 1.00 0.00 N ATOM 1381 CA LEU B 65 -3.249 3.571 3.542 1.00 0.00 C ATOM 1382 C LEU B 65 -2.329 2.595 4.278 1.00 0.00 C ATOM 1383 O LEU B 65 -1.177 2.461 3.898 1.00 0.00 O ATOM 1384 CB LEU B 65 -3.262 3.192 2.071 1.00 0.00 C ATOM 1385 CG LEU B 65 -4.371 2.240 1.655 1.00 0.00 C ATOM 1386 CD1 LEU B 65 -5.588 3.012 1.196 1.00 0.00 C ATOM 1387 CD2 LEU B 65 -3.870 1.301 0.581 1.00 0.00 C ATOM 0 H LEU B 65 -1.674 4.930 3.626 1.00 0.00 H new ATOM 0 HA LEU B 65 -4.269 3.541 3.925 1.00 0.00 H new ATOM 0 HB2 LEU B 65 -3.347 4.103 1.479 1.00 0.00 H new ATOM 0 HB3 LEU B 65 -2.303 2.738 1.821 1.00 0.00 H new ATOM 0 HG LEU B 65 -4.669 1.640 2.515 1.00 0.00 H new ATOM 0 HD11 LEU B 65 -6.372 2.314 0.902 1.00 0.00 H new ATOM 0 HD12 LEU B 65 -5.948 3.641 2.010 1.00 0.00 H new ATOM 0 HD13 LEU B 65 -5.322 3.638 0.345 1.00 0.00 H new ATOM 0 HD21 LEU B 65 -4.671 0.622 0.289 1.00 0.00 H new ATOM 0 HD22 LEU B 65 -3.549 1.878 -0.286 1.00 0.00 H new ATOM 0 HD23 LEU B 65 -3.028 0.725 0.965 1.00 0.00 H new ATOM 1399 N GLN B 66 -2.798 1.903 5.305 1.00 0.00 N ATOM 1400 CA GLN B 66 -1.895 1.025 6.045 1.00 0.00 C ATOM 1401 C GLN B 66 -2.339 -0.422 6.059 1.00 0.00 C ATOM 1402 O GLN B 66 -3.527 -0.731 6.001 1.00 0.00 O ATOM 1403 CB GLN B 66 -1.682 1.519 7.479 1.00 0.00 C ATOM 1404 CG GLN B 66 -2.669 0.967 8.485 1.00 0.00 C ATOM 1405 CD GLN B 66 -2.149 1.016 9.908 1.00 0.00 C ATOM 1406 OE1 GLN B 66 -1.502 0.085 10.371 1.00 0.00 O ATOM 1407 NE2 GLN B 66 -2.447 2.097 10.611 1.00 0.00 N ATOM 0 H GLN B 66 -3.762 1.926 5.639 1.00 0.00 H new ATOM 0 HA GLN B 66 -0.948 1.065 5.507 1.00 0.00 H new ATOM 0 HB2 GLN B 66 -0.673 1.254 7.795 1.00 0.00 H new ATOM 0 HB3 GLN B 66 -1.743 2.607 7.488 1.00 0.00 H new ATOM 0 HG2 GLN B 66 -3.598 1.533 8.423 1.00 0.00 H new ATOM 0 HG3 GLN B 66 -2.906 -0.065 8.225 1.00 0.00 H new ATOM 0 HE21 GLN B 66 -2.989 2.849 10.185 1.00 0.00 H new ATOM 0 HE22 GLN B 66 -2.135 2.178 11.579 1.00 0.00 H new ATOM 1416 N LEU B 67 -1.354 -1.299 6.144 1.00 0.00 N ATOM 1417 CA LEU B 67 -1.590 -2.725 6.176 1.00 0.00 C ATOM 1418 C LEU B 67 -1.082 -3.328 7.476 1.00 0.00 C ATOM 1419 O LEU B 67 0.077 -3.146 7.853 1.00 0.00 O ATOM 1420 CB LEU B 67 -0.897 -3.397 4.993 1.00 0.00 C ATOM 1421 CG LEU B 67 -1.198 -2.771 3.636 1.00 0.00 C ATOM 1422 CD1 LEU B 67 -0.260 -3.319 2.575 1.00 0.00 C ATOM 1423 CD2 LEU B 67 -2.648 -3.013 3.245 1.00 0.00 C ATOM 0 H LEU B 67 -0.369 -1.039 6.193 1.00 0.00 H new ATOM 0 HA LEU B 67 -2.665 -2.894 6.110 1.00 0.00 H new ATOM 0 HB2 LEU B 67 0.180 -3.371 5.158 1.00 0.00 H new ATOM 0 HB3 LEU B 67 -1.190 -4.446 4.966 1.00 0.00 H new ATOM 0 HG LEU B 67 -1.038 -1.695 3.712 1.00 0.00 H new ATOM 0 HD11 LEU B 67 -0.491 -2.860 1.614 1.00 0.00 H new ATOM 0 HD12 LEU B 67 0.771 -3.092 2.848 1.00 0.00 H new ATOM 0 HD13 LEU B 67 -0.386 -4.399 2.501 1.00 0.00 H new ATOM 0 HD21 LEU B 67 -2.844 -2.559 2.274 1.00 0.00 H new ATOM 0 HD22 LEU B 67 -2.836 -4.085 3.188 1.00 0.00 H new ATOM 0 HD23 LEU B 67 -3.305 -2.569 3.992 1.00 0.00 H new ATOM 1435 N VAL B 68 -1.967 -4.026 8.162 1.00 0.00 N ATOM 1436 CA VAL B 68 -1.626 -4.703 9.403 1.00 0.00 C ATOM 1437 C VAL B 68 -1.193 -6.107 9.046 1.00 0.00 C ATOM 1438 O VAL B 68 -2.020 -6.938 8.691 1.00 0.00 O ATOM 1439 CB VAL B 68 -2.815 -4.755 10.386 1.00 0.00 C ATOM 1440 CG1 VAL B 68 -2.380 -5.327 11.727 1.00 0.00 C ATOM 1441 CG2 VAL B 68 -3.423 -3.370 10.564 1.00 0.00 C ATOM 0 H VAL B 68 -2.940 -4.141 7.878 1.00 0.00 H new ATOM 0 HA VAL B 68 -0.830 -4.153 9.905 1.00 0.00 H new ATOM 0 HB VAL B 68 -3.577 -5.412 9.967 1.00 0.00 H new ATOM 0 HG11 VAL B 68 -3.233 -5.355 12.405 1.00 0.00 H new ATOM 0 HG12 VAL B 68 -1.997 -6.337 11.585 1.00 0.00 H new ATOM 0 HG13 VAL B 68 -1.598 -4.699 12.154 1.00 0.00 H new ATOM 0 HG21 VAL B 68 -4.260 -3.427 11.260 1.00 0.00 H new ATOM 0 HG22 VAL B 68 -2.668 -2.689 10.958 1.00 0.00 H new ATOM 0 HG23 VAL B 68 -3.777 -3.001 9.601 1.00 0.00 H new ATOM 1451 N LEU B 69 0.096 -6.365 9.114 1.00 0.00 N ATOM 1452 CA LEU B 69 0.617 -7.663 8.726 1.00 0.00 C ATOM 1453 C LEU B 69 0.534 -8.682 9.853 1.00 0.00 C ATOM 1454 O LEU B 69 0.406 -8.328 11.026 1.00 0.00 O ATOM 1455 CB LEU B 69 2.060 -7.532 8.249 1.00 0.00 C ATOM 1456 CG LEU B 69 2.419 -6.190 7.608 1.00 0.00 C ATOM 1457 CD1 LEU B 69 3.918 -6.093 7.377 1.00 0.00 C ATOM 1458 CD2 LEU B 69 1.666 -5.994 6.303 1.00 0.00 C ATOM 0 H LEU B 69 0.800 -5.699 9.432 1.00 0.00 H new ATOM 0 HA LEU B 69 -0.008 -8.027 7.910 1.00 0.00 H new ATOM 0 HB2 LEU B 69 2.722 -7.699 9.098 1.00 0.00 H new ATOM 0 HB3 LEU B 69 2.260 -8.325 7.528 1.00 0.00 H new ATOM 0 HG LEU B 69 2.122 -5.397 8.294 1.00 0.00 H new ATOM 0 HD11 LEU B 69 4.154 -5.132 6.920 1.00 0.00 H new ATOM 0 HD12 LEU B 69 4.439 -6.180 8.330 1.00 0.00 H new ATOM 0 HD13 LEU B 69 4.237 -6.898 6.714 1.00 0.00 H new ATOM 0 HD21 LEU B 69 1.938 -5.033 5.867 1.00 0.00 H new ATOM 0 HD22 LEU B 69 1.926 -6.794 5.610 1.00 0.00 H new ATOM 0 HD23 LEU B 69 0.593 -6.014 6.495 1.00 0.00 H new ATOM 1470 N HIS B 70 0.621 -9.954 9.474 1.00 0.00 N ATOM 1471 CA HIS B 70 0.571 -11.069 10.424 1.00 0.00 C ATOM 1472 C HIS B 70 1.768 -11.034 11.368 1.00 0.00 C ATOM 1473 O HIS B 70 1.739 -11.622 12.446 1.00 0.00 O ATOM 1474 CB HIS B 70 0.560 -12.412 9.682 1.00 0.00 C ATOM 1475 CG HIS B 70 -0.699 -12.687 8.917 1.00 0.00 C ATOM 1476 ND1 HIS B 70 -1.397 -11.892 8.073 1.00 0.00 N flip ATOM 1477 CD2 HIS B 70 -1.377 -13.884 8.952 1.00 0.00 C flip ATOM 1478 CE1 HIS B 70 -2.497 -12.586 7.590 1.00 0.00 C flip ATOM 1479 NE2 HIS B 70 -2.439 -13.776 8.142 1.00 0.00 N flip ATOM 0 H HIS B 70 0.728 -10.244 8.502 1.00 0.00 H new ATOM 0 HA HIS B 70 -0.346 -10.966 11.003 1.00 0.00 H new ATOM 0 HB2 HIS B 70 1.403 -12.439 8.992 1.00 0.00 H new ATOM 0 HB3 HIS B 70 0.714 -13.214 10.404 1.00 0.00 H new ATOM 0 HD2 HIS B 70 -1.102 -14.755 9.529 1.00 0.00 H new ATOM 0 HE1 HIS B 70 -3.246 -12.223 6.902 1.00 0.00 H new ATOM 0 HE2 HIS B 70 -3.115 -14.522 7.976 1.00 0.00 H new ATOM 1487 N ALA B 71 2.820 -10.340 10.949 1.00 0.00 N ATOM 1488 CA ALA B 71 4.033 -10.228 11.747 1.00 0.00 C ATOM 1489 C ALA B 71 3.883 -9.175 12.840 1.00 0.00 C ATOM 1490 O ALA B 71 4.779 -8.990 13.661 1.00 0.00 O ATOM 1491 CB ALA B 71 5.218 -9.896 10.852 1.00 0.00 C ATOM 0 H ALA B 71 2.856 -9.845 10.058 1.00 0.00 H new ATOM 0 HA ALA B 71 4.209 -11.188 12.231 1.00 0.00 H new ATOM 0 HB1 ALA B 71 6.120 -9.814 11.458 1.00 0.00 H new ATOM 0 HB2 ALA B 71 5.348 -10.686 10.112 1.00 0.00 H new ATOM 0 HB3 ALA B 71 5.036 -8.949 10.343 1.00 0.00 H new ATOM 1497 N GLY B 72 2.754 -8.474 12.836 1.00 0.00 N ATOM 1498 CA GLY B 72 2.514 -7.451 13.837 1.00 0.00 C ATOM 1499 C GLY B 72 2.949 -6.078 13.374 1.00 0.00 C ATOM 1500 O GLY B 72 2.560 -5.066 13.955 1.00 0.00 O ATOM 0 H GLY B 72 2.002 -8.596 12.158 1.00 0.00 H new ATOM 0 HA2 GLY B 72 1.452 -7.429 14.083 1.00 0.00 H new ATOM 0 HA3 GLY B 72 3.048 -7.709 14.752 1.00 0.00 H new ATOM 1504 N ASP B 73 3.761 -6.045 12.326 1.00 0.00 N ATOM 1505 CA ASP B 73 4.250 -4.787 11.776 1.00 0.00 C ATOM 1506 C ASP B 73 3.151 -4.118 10.966 1.00 0.00 C ATOM 1507 O ASP B 73 2.296 -4.796 10.387 1.00 0.00 O ATOM 1508 CB ASP B 73 5.480 -5.025 10.894 1.00 0.00 C ATOM 1509 CG ASP B 73 6.540 -3.952 11.065 1.00 0.00 C ATOM 1510 OD1 ASP B 73 6.330 -2.816 10.590 1.00 0.00 O ATOM 1511 OD2 ASP B 73 7.593 -4.249 11.669 1.00 0.00 O ATOM 0 H ASP B 73 4.096 -6.876 11.839 1.00 0.00 H new ATOM 0 HA ASP B 73 4.538 -4.135 12.600 1.00 0.00 H new ATOM 0 HB2 ASP B 73 5.911 -5.997 11.133 1.00 0.00 H new ATOM 0 HB3 ASP B 73 5.171 -5.062 9.849 1.00 0.00 H new ATOM 1516 N THR B 74 3.163 -2.800 10.929 1.00 0.00 N ATOM 1517 CA THR B 74 2.158 -2.057 10.198 1.00 0.00 C ATOM 1518 C THR B 74 2.801 -1.177 9.134 1.00 0.00 C ATOM 1519 O THR B 74 3.790 -0.486 9.390 1.00 0.00 O ATOM 1520 CB THR B 74 1.311 -1.194 11.153 1.00 0.00 C ATOM 1521 OG1 THR B 74 2.152 -0.579 12.138 1.00 0.00 O ATOM 1522 CG2 THR B 74 0.252 -2.040 11.846 1.00 0.00 C ATOM 0 H THR B 74 3.860 -2.221 11.398 1.00 0.00 H new ATOM 0 HA THR B 74 1.504 -2.778 9.706 1.00 0.00 H new ATOM 0 HB THR B 74 0.815 -0.421 10.565 1.00 0.00 H new ATOM 0 HG1 THR B 74 1.605 -0.031 12.739 1.00 0.00 H new ATOM 0 HG21 THR B 74 -0.335 -1.411 12.516 1.00 0.00 H new ATOM 0 HG22 THR B 74 -0.404 -2.486 11.098 1.00 0.00 H new ATOM 0 HG23 THR B 74 0.736 -2.830 12.421 1.00 0.00 H new ATOM 1530 N THR B 75 2.249 -1.224 7.936 1.00 0.00 N ATOM 1531 CA THR B 75 2.765 -0.437 6.832 1.00 0.00 C ATOM 1532 C THR B 75 1.795 0.686 6.473 1.00 0.00 C ATOM 1533 O THR B 75 0.833 0.453 5.750 1.00 0.00 O ATOM 1534 CB THR B 75 2.964 -1.344 5.601 1.00 0.00 C ATOM 1535 OG1 THR B 75 2.490 -2.665 5.900 1.00 0.00 O ATOM 1536 CG2 THR B 75 4.428 -1.415 5.194 1.00 0.00 C ATOM 0 H THR B 75 1.441 -1.801 7.702 1.00 0.00 H new ATOM 0 HA THR B 75 3.717 -0.000 7.133 1.00 0.00 H new ATOM 0 HB THR B 75 2.399 -0.919 4.771 1.00 0.00 H new ATOM 0 HG1 THR B 75 3.251 -3.279 5.964 1.00 0.00 H new ATOM 0 HG21 THR B 75 4.533 -2.062 4.323 1.00 0.00 H new ATOM 0 HG22 THR B 75 4.786 -0.415 4.948 1.00 0.00 H new ATOM 0 HG23 THR B 75 5.016 -1.818 6.019 1.00 0.00 H new ATOM 1544 N ASN B 76 2.046 1.904 6.956 1.00 0.00 N ATOM 1545 CA ASN B 76 1.159 3.028 6.651 1.00 0.00 C ATOM 1546 C ASN B 76 1.723 3.798 5.470 1.00 0.00 C ATOM 1547 O ASN B 76 2.738 4.480 5.582 1.00 0.00 O ATOM 1548 CB ASN B 76 0.918 3.983 7.853 1.00 0.00 C ATOM 1549 CG ASN B 76 0.661 3.283 9.185 1.00 0.00 C ATOM 1550 OD1 ASN B 76 1.148 2.185 9.439 1.00 0.00 O ATOM 1551 ND2 ASN B 76 -0.097 3.935 10.064 1.00 0.00 N ATOM 0 H ASN B 76 2.842 2.136 7.550 1.00 0.00 H new ATOM 0 HA ASN B 76 0.183 2.608 6.409 1.00 0.00 H new ATOM 0 HB2 ASN B 76 1.786 4.633 7.962 1.00 0.00 H new ATOM 0 HB3 ASN B 76 0.066 4.624 7.625 1.00 0.00 H new ATOM 0 HD21 ASN B 76 -0.287 3.523 10.978 1.00 0.00 H new ATOM 0 HD22 ASN B 76 -0.488 4.846 9.824 1.00 0.00 H new ATOM 1558 N PHE B 77 1.057 3.662 4.338 1.00 0.00 N ATOM 1559 CA PHE B 77 1.471 4.304 3.100 1.00 0.00 C ATOM 1560 C PHE B 77 0.911 5.715 3.001 1.00 0.00 C ATOM 1561 O PHE B 77 -0.270 5.912 2.720 1.00 0.00 O ATOM 1562 CB PHE B 77 1.033 3.470 1.897 1.00 0.00 C ATOM 1563 CG PHE B 77 1.868 2.236 1.700 1.00 0.00 C ATOM 1564 CD1 PHE B 77 3.182 2.339 1.274 1.00 0.00 C ATOM 1565 CD2 PHE B 77 1.343 0.977 1.940 1.00 0.00 C ATOM 1566 CE1 PHE B 77 3.957 1.212 1.091 1.00 0.00 C ATOM 1567 CE2 PHE B 77 2.116 -0.155 1.758 1.00 0.00 C ATOM 1568 CZ PHE B 77 3.424 -0.037 1.331 1.00 0.00 C ATOM 0 H PHE B 77 0.210 3.101 4.249 1.00 0.00 H new ATOM 0 HA PHE B 77 2.559 4.373 3.102 1.00 0.00 H new ATOM 0 HB2 PHE B 77 -0.010 3.179 2.024 1.00 0.00 H new ATOM 0 HB3 PHE B 77 1.085 4.084 0.998 1.00 0.00 H new ATOM 0 HD1 PHE B 77 3.605 3.314 1.083 1.00 0.00 H new ATOM 0 HD2 PHE B 77 0.320 0.878 2.272 1.00 0.00 H new ATOM 0 HE1 PHE B 77 4.981 1.308 0.760 1.00 0.00 H new ATOM 0 HE2 PHE B 77 1.697 -1.132 1.950 1.00 0.00 H new ATOM 0 HZ PHE B 77 4.028 -0.920 1.185 1.00 0.00 H new ATOM 1578 N HIS B 78 1.771 6.681 3.252 1.00 0.00 N ATOM 1579 CA HIS B 78 1.417 8.086 3.211 1.00 0.00 C ATOM 1580 C HIS B 78 1.599 8.646 1.803 1.00 0.00 C ATOM 1581 O HIS B 78 2.713 8.748 1.294 1.00 0.00 O ATOM 1582 CB HIS B 78 2.286 8.814 4.254 1.00 0.00 C ATOM 1583 CG HIS B 78 2.508 10.293 4.067 1.00 0.00 C ATOM 1584 ND1 HIS B 78 3.505 10.976 4.722 1.00 0.00 N ATOM 1585 CD2 HIS B 78 1.873 11.214 3.296 1.00 0.00 C ATOM 1586 CE1 HIS B 78 3.455 12.255 4.340 1.00 0.00 C ATOM 1587 NE2 HIS B 78 2.483 12.455 3.473 1.00 0.00 N ATOM 0 H HIS B 78 2.747 6.511 3.493 1.00 0.00 H new ATOM 0 HA HIS B 78 0.365 8.233 3.457 1.00 0.00 H new ATOM 0 HB2 HIS B 78 1.832 8.664 5.233 1.00 0.00 H new ATOM 0 HB3 HIS B 78 3.261 8.328 4.277 1.00 0.00 H new ATOM 0 HD2 HIS B 78 1.031 11.016 2.650 1.00 0.00 H new ATOM 0 HE1 HIS B 78 4.124 13.025 4.695 1.00 0.00 H new ATOM 0 HE2 HIS B 78 2.229 13.335 3.024 1.00 0.00 H new ATOM 1595 N PHE B 79 0.494 9.014 1.177 1.00 0.00 N ATOM 1596 CA PHE B 79 0.535 9.571 -0.162 1.00 0.00 C ATOM 1597 C PHE B 79 0.805 11.068 -0.094 1.00 0.00 C ATOM 1598 O PHE B 79 -0.113 11.862 0.101 1.00 0.00 O ATOM 1599 CB PHE B 79 -0.784 9.338 -0.915 1.00 0.00 C ATOM 1600 CG PHE B 79 -1.307 7.931 -0.869 1.00 0.00 C ATOM 1601 CD1 PHE B 79 -0.951 7.014 -1.843 1.00 0.00 C ATOM 1602 CD2 PHE B 79 -2.180 7.537 0.129 1.00 0.00 C ATOM 1603 CE1 PHE B 79 -1.453 5.727 -1.818 1.00 0.00 C ATOM 1604 CE2 PHE B 79 -2.689 6.254 0.156 1.00 0.00 C ATOM 1605 CZ PHE B 79 -2.325 5.347 -0.819 1.00 0.00 C ATOM 0 H PHE B 79 -0.442 8.937 1.575 1.00 0.00 H new ATOM 0 HA PHE B 79 1.336 9.066 -0.701 1.00 0.00 H new ATOM 0 HB2 PHE B 79 -1.542 10.004 -0.502 1.00 0.00 H new ATOM 0 HB3 PHE B 79 -0.644 9.622 -1.958 1.00 0.00 H new ATOM 0 HD1 PHE B 79 -0.273 7.308 -2.631 1.00 0.00 H new ATOM 0 HD2 PHE B 79 -2.467 8.241 0.896 1.00 0.00 H new ATOM 0 HE1 PHE B 79 -1.163 5.019 -2.580 1.00 0.00 H new ATOM 0 HE2 PHE B 79 -3.372 5.960 0.940 1.00 0.00 H new ATOM 0 HZ PHE B 79 -2.722 4.343 -0.800 1.00 0.00 H new ATOM 1615 N SER B 80 2.064 11.456 -0.243 1.00 0.00 N ATOM 1616 CA SER B 80 2.427 12.866 -0.219 1.00 0.00 C ATOM 1617 C SER B 80 2.295 13.437 -1.628 1.00 0.00 C ATOM 1618 O SER B 80 3.133 14.208 -2.104 1.00 0.00 O ATOM 1619 CB SER B 80 3.849 13.054 0.329 1.00 0.00 C ATOM 1620 OG SER B 80 4.805 12.329 -0.427 1.00 0.00 O ATOM 0 H SER B 80 2.848 10.818 -0.381 1.00 0.00 H new ATOM 0 HA SER B 80 1.753 13.405 0.447 1.00 0.00 H new ATOM 0 HB2 SER B 80 4.105 14.113 0.319 1.00 0.00 H new ATOM 0 HB3 SER B 80 3.884 12.727 1.368 1.00 0.00 H new ATOM 0 HG SER B 80 4.343 11.720 -1.040 1.00 0.00 H new ATOM 1626 N ASN B 81 1.225 13.032 -2.290 1.00 0.00 N ATOM 1627 CA ASN B 81 0.946 13.457 -3.648 1.00 0.00 C ATOM 1628 C ASN B 81 -0.157 14.507 -3.672 1.00 0.00 C ATOM 1629 O ASN B 81 -1.334 14.184 -3.750 1.00 0.00 O ATOM 1630 CB ASN B 81 0.541 12.252 -4.503 1.00 0.00 C ATOM 1631 CG ASN B 81 0.700 12.508 -5.988 1.00 0.00 C ATOM 1632 OD1 ASN B 81 0.670 13.649 -6.442 1.00 0.00 O ATOM 1633 ND2 ASN B 81 0.843 11.446 -6.759 1.00 0.00 N ATOM 0 H ASN B 81 0.526 12.399 -1.900 1.00 0.00 H new ATOM 0 HA ASN B 81 1.852 13.901 -4.061 1.00 0.00 H new ATOM 0 HB2 ASN B 81 1.147 11.391 -4.220 1.00 0.00 H new ATOM 0 HB3 ASN B 81 -0.497 11.995 -4.292 1.00 0.00 H new ATOM 0 HD21 ASN B 81 0.933 11.557 -7.769 1.00 0.00 H new ATOM 0 HD22 ASN B 81 0.863 10.514 -6.345 1.00 0.00 H new ATOM 1640 N GLU B 82 0.239 15.764 -3.620 1.00 0.00 N ATOM 1641 CA GLU B 82 -0.701 16.883 -3.640 1.00 0.00 C ATOM 1642 C GLU B 82 -1.629 16.819 -4.858 1.00 0.00 C ATOM 1643 O GLU B 82 -2.753 17.322 -4.826 1.00 0.00 O ATOM 1644 CB GLU B 82 0.069 18.215 -3.633 1.00 0.00 C ATOM 1645 CG GLU B 82 0.910 18.475 -4.887 1.00 0.00 C ATOM 1646 CD GLU B 82 1.939 17.392 -5.152 1.00 0.00 C ATOM 1647 OE1 GLU B 82 2.923 17.296 -4.392 1.00 0.00 O ATOM 1648 OE2 GLU B 82 1.744 16.597 -6.096 1.00 0.00 O ATOM 0 H GLU B 82 1.218 16.045 -3.563 1.00 0.00 H new ATOM 0 HA GLU B 82 -1.321 16.816 -2.746 1.00 0.00 H new ATOM 0 HB2 GLU B 82 -0.644 19.031 -3.515 1.00 0.00 H new ATOM 0 HB3 GLU B 82 0.724 18.236 -2.762 1.00 0.00 H new ATOM 0 HG2 GLU B 82 0.249 18.557 -5.749 1.00 0.00 H new ATOM 0 HG3 GLU B 82 1.419 19.433 -4.783 1.00 0.00 H new ATOM 1655 N SER B 83 -1.161 16.175 -5.916 1.00 0.00 N ATOM 1656 CA SER B 83 -1.924 16.062 -7.143 1.00 0.00 C ATOM 1657 C SER B 83 -2.989 14.953 -7.098 1.00 0.00 C ATOM 1658 O SER B 83 -4.170 15.207 -7.362 1.00 0.00 O ATOM 1659 CB SER B 83 -0.967 15.821 -8.311 1.00 0.00 C ATOM 1660 OG SER B 83 0.089 16.769 -8.310 1.00 0.00 O ATOM 0 H SER B 83 -0.248 15.720 -5.946 1.00 0.00 H new ATOM 0 HA SER B 83 -2.463 17.000 -7.274 1.00 0.00 H new ATOM 0 HB2 SER B 83 -0.556 14.814 -8.246 1.00 0.00 H new ATOM 0 HB3 SER B 83 -1.514 15.882 -9.252 1.00 0.00 H new ATOM 0 HG SER B 83 0.677 16.602 -7.544 1.00 0.00 H new ATOM 1666 N THR B 84 -2.592 13.722 -6.784 1.00 0.00 N ATOM 1667 CA THR B 84 -3.549 12.617 -6.786 1.00 0.00 C ATOM 1668 C THR B 84 -3.476 11.728 -5.534 1.00 0.00 C ATOM 1669 O THR B 84 -3.797 10.553 -5.602 1.00 0.00 O ATOM 1670 CB THR B 84 -3.384 11.756 -8.073 1.00 0.00 C ATOM 1671 OG1 THR B 84 -4.265 10.632 -8.070 1.00 0.00 O ATOM 1672 CG2 THR B 84 -1.947 11.298 -8.254 1.00 0.00 C ATOM 0 H THR B 84 -1.638 13.467 -6.530 1.00 0.00 H new ATOM 0 HA THR B 84 -4.538 13.076 -6.773 1.00 0.00 H new ATOM 0 HB THR B 84 -3.649 12.393 -8.917 1.00 0.00 H new ATOM 0 HG1 THR B 84 -4.394 10.320 -7.150 1.00 0.00 H new ATOM 0 HG21 THR B 84 -1.867 10.700 -9.162 1.00 0.00 H new ATOM 0 HG22 THR B 84 -1.295 12.168 -8.335 1.00 0.00 H new ATOM 0 HG23 THR B 84 -1.646 10.697 -7.396 1.00 0.00 H new ATOM 1680 N ALA B 85 -3.105 12.277 -4.386 1.00 0.00 N ATOM 1681 CA ALA B 85 -3.020 11.469 -3.161 1.00 0.00 C ATOM 1682 C ALA B 85 -4.343 10.773 -2.864 1.00 0.00 C ATOM 1683 O ALA B 85 -4.390 9.564 -2.649 1.00 0.00 O ATOM 1684 CB ALA B 85 -2.620 12.325 -1.977 1.00 0.00 C ATOM 0 H ALA B 85 -2.860 13.260 -4.269 1.00 0.00 H new ATOM 0 HA ALA B 85 -2.256 10.709 -3.326 1.00 0.00 H new ATOM 0 HB1 ALA B 85 -2.564 11.705 -1.082 1.00 0.00 H new ATOM 0 HB2 ALA B 85 -1.646 12.777 -2.167 1.00 0.00 H new ATOM 0 HB3 ALA B 85 -3.362 13.110 -1.828 1.00 0.00 H new ATOM 1690 N VAL B 86 -5.411 11.555 -2.864 1.00 0.00 N ATOM 1691 CA VAL B 86 -6.753 11.050 -2.600 1.00 0.00 C ATOM 1692 C VAL B 86 -7.151 9.977 -3.613 1.00 0.00 C ATOM 1693 O VAL B 86 -7.562 8.876 -3.248 1.00 0.00 O ATOM 1694 CB VAL B 86 -7.781 12.198 -2.668 1.00 0.00 C ATOM 1695 CG1 VAL B 86 -9.169 11.715 -2.273 1.00 0.00 C ATOM 1696 CG2 VAL B 86 -7.341 13.365 -1.796 1.00 0.00 C ATOM 0 H VAL B 86 -5.374 12.558 -3.047 1.00 0.00 H new ATOM 0 HA VAL B 86 -6.746 10.613 -1.601 1.00 0.00 H new ATOM 0 HB VAL B 86 -7.832 12.545 -3.700 1.00 0.00 H new ATOM 0 HG11 VAL B 86 -9.873 12.545 -2.330 1.00 0.00 H new ATOM 0 HG12 VAL B 86 -9.486 10.923 -2.952 1.00 0.00 H new ATOM 0 HG13 VAL B 86 -9.144 11.330 -1.254 1.00 0.00 H new ATOM 0 HG21 VAL B 86 -8.080 14.164 -1.858 1.00 0.00 H new ATOM 0 HG22 VAL B 86 -7.252 13.033 -0.762 1.00 0.00 H new ATOM 0 HG23 VAL B 86 -6.376 13.735 -2.143 1.00 0.00 H new ATOM 1706 N LYS B 87 -6.992 10.307 -4.888 1.00 0.00 N ATOM 1707 CA LYS B 87 -7.353 9.403 -5.975 1.00 0.00 C ATOM 1708 C LYS B 87 -6.478 8.151 -5.974 1.00 0.00 C ATOM 1709 O LYS B 87 -6.973 7.038 -6.172 1.00 0.00 O ATOM 1710 CB LYS B 87 -7.234 10.127 -7.319 1.00 0.00 C ATOM 1711 CG LYS B 87 -7.841 11.525 -7.317 1.00 0.00 C ATOM 1712 CD LYS B 87 -7.078 12.466 -8.239 1.00 0.00 C ATOM 1713 CE LYS B 87 -7.510 13.914 -8.047 1.00 0.00 C ATOM 1714 NZ LYS B 87 -6.553 14.873 -8.671 1.00 0.00 N ATOM 0 H LYS B 87 -6.612 11.202 -5.198 1.00 0.00 H new ATOM 0 HA LYS B 87 -8.386 9.089 -5.823 1.00 0.00 H new ATOM 0 HB2 LYS B 87 -6.181 10.198 -7.592 1.00 0.00 H new ATOM 0 HB3 LYS B 87 -7.723 9.529 -8.088 1.00 0.00 H new ATOM 0 HG2 LYS B 87 -8.883 11.471 -7.632 1.00 0.00 H new ATOM 0 HG3 LYS B 87 -7.835 11.924 -6.303 1.00 0.00 H new ATOM 0 HD2 LYS B 87 -6.009 12.376 -8.047 1.00 0.00 H new ATOM 0 HD3 LYS B 87 -7.241 12.172 -9.276 1.00 0.00 H new ATOM 0 HE2 LYS B 87 -8.500 14.057 -8.480 1.00 0.00 H new ATOM 0 HE3 LYS B 87 -7.594 14.128 -6.982 1.00 0.00 H new ATOM 0 HZ1 LYS B 87 -6.903 15.844 -8.546 1.00 0.00 H new ATOM 0 HZ2 LYS B 87 -5.622 14.779 -8.217 1.00 0.00 H new ATOM 0 HZ3 LYS B 87 -6.465 14.665 -9.686 1.00 0.00 H new ATOM 1728 N GLU B 88 -5.181 8.328 -5.728 1.00 0.00 N ATOM 1729 CA GLU B 88 -4.264 7.203 -5.713 1.00 0.00 C ATOM 1730 C GLU B 88 -4.583 6.292 -4.530 1.00 0.00 C ATOM 1731 O GLU B 88 -4.467 5.074 -4.625 1.00 0.00 O ATOM 1732 CB GLU B 88 -2.800 7.666 -5.654 1.00 0.00 C ATOM 1733 CG GLU B 88 -2.262 8.171 -6.991 1.00 0.00 C ATOM 1734 CD GLU B 88 -0.745 8.291 -7.028 1.00 0.00 C ATOM 1735 OE1 GLU B 88 -0.180 9.042 -6.207 1.00 0.00 O ATOM 1736 OE2 GLU B 88 -0.109 7.652 -7.897 1.00 0.00 O ATOM 0 H GLU B 88 -4.750 9.233 -5.539 1.00 0.00 H new ATOM 0 HA GLU B 88 -4.394 6.648 -6.642 1.00 0.00 H new ATOM 0 HB2 GLU B 88 -2.709 8.460 -4.912 1.00 0.00 H new ATOM 0 HB3 GLU B 88 -2.180 6.838 -5.312 1.00 0.00 H new ATOM 0 HG2 GLU B 88 -2.585 7.494 -7.782 1.00 0.00 H new ATOM 0 HG3 GLU B 88 -2.701 9.145 -7.206 1.00 0.00 H new ATOM 1743 N ARG B 89 -5.021 6.896 -3.425 1.00 0.00 N ATOM 1744 CA ARG B 89 -5.363 6.149 -2.219 1.00 0.00 C ATOM 1745 C ARG B 89 -6.469 5.133 -2.486 1.00 0.00 C ATOM 1746 O ARG B 89 -6.298 3.940 -2.224 1.00 0.00 O ATOM 1747 CB ARG B 89 -5.805 7.084 -1.094 1.00 0.00 C ATOM 1748 CG ARG B 89 -6.346 6.332 0.112 1.00 0.00 C ATOM 1749 CD ARG B 89 -7.039 7.246 1.107 1.00 0.00 C ATOM 1750 NE ARG B 89 -8.089 8.064 0.500 1.00 0.00 N ATOM 1751 CZ ARG B 89 -9.165 7.579 -0.115 1.00 0.00 C ATOM 1752 NH1 ARG B 89 -9.406 6.272 -0.123 1.00 0.00 N ATOM 1753 NH2 ARG B 89 -10.025 8.409 -0.683 1.00 0.00 N ATOM 0 H ARG B 89 -5.147 7.905 -3.342 1.00 0.00 H new ATOM 0 HA ARG B 89 -4.461 5.620 -1.912 1.00 0.00 H new ATOM 0 HB2 ARG B 89 -4.960 7.699 -0.785 1.00 0.00 H new ATOM 0 HB3 ARG B 89 -6.572 7.761 -1.470 1.00 0.00 H new ATOM 0 HG2 ARG B 89 -7.048 5.569 -0.225 1.00 0.00 H new ATOM 0 HG3 ARG B 89 -5.527 5.814 0.610 1.00 0.00 H new ATOM 0 HD2 ARG B 89 -7.472 6.643 1.905 1.00 0.00 H new ATOM 0 HD3 ARG B 89 -6.298 7.900 1.568 1.00 0.00 H new ATOM 0 HE ARG B 89 -7.989 9.078 0.552 1.00 0.00 H new ATOM 0 HH11 ARG B 89 -8.764 5.632 0.345 1.00 0.00 H new ATOM 0 HH12 ARG B 89 -10.233 5.909 -0.597 1.00 0.00 H new ATOM 0 HH21 ARG B 89 -9.862 9.415 -0.648 1.00 0.00 H new ATOM 0 HH22 ARG B 89 -10.851 8.043 -1.156 1.00 0.00 H new ATOM 1767 N ASP B 90 -7.603 5.609 -2.997 1.00 0.00 N ATOM 1768 CA ASP B 90 -8.737 4.733 -3.290 1.00 0.00 C ATOM 1769 C ASP B 90 -8.353 3.665 -4.297 1.00 0.00 C ATOM 1770 O ASP B 90 -8.833 2.538 -4.234 1.00 0.00 O ATOM 1771 CB ASP B 90 -9.936 5.528 -3.819 1.00 0.00 C ATOM 1772 CG ASP B 90 -10.865 5.984 -2.711 1.00 0.00 C ATOM 1773 OD1 ASP B 90 -11.134 5.183 -1.789 1.00 0.00 O ATOM 1774 OD2 ASP B 90 -11.305 7.151 -2.735 1.00 0.00 O ATOM 0 H ASP B 90 -7.761 6.593 -3.216 1.00 0.00 H new ATOM 0 HA ASP B 90 -9.022 4.254 -2.353 1.00 0.00 H new ATOM 0 HB2 ASP B 90 -9.577 6.398 -4.369 1.00 0.00 H new ATOM 0 HB3 ASP B 90 -10.493 4.912 -4.525 1.00 0.00 H new ATOM 1779 N ALA B 91 -7.434 4.010 -5.183 1.00 0.00 N ATOM 1780 CA ALA B 91 -6.995 3.082 -6.224 1.00 0.00 C ATOM 1781 C ALA B 91 -6.245 1.897 -5.620 1.00 0.00 C ATOM 1782 O ALA B 91 -6.339 0.764 -6.100 1.00 0.00 O ATOM 1783 CB ALA B 91 -6.124 3.799 -7.244 1.00 0.00 C ATOM 0 H ALA B 91 -6.976 4.921 -5.207 1.00 0.00 H new ATOM 0 HA ALA B 91 -7.881 2.699 -6.731 1.00 0.00 H new ATOM 0 HB1 ALA B 91 -5.806 3.093 -8.011 1.00 0.00 H new ATOM 0 HB2 ALA B 91 -6.694 4.605 -7.706 1.00 0.00 H new ATOM 0 HB3 ALA B 91 -5.247 4.213 -6.747 1.00 0.00 H new ATOM 1789 N VAL B 92 -5.529 2.166 -4.545 1.00 0.00 N ATOM 1790 CA VAL B 92 -4.756 1.141 -3.861 1.00 0.00 C ATOM 1791 C VAL B 92 -5.672 0.365 -2.934 1.00 0.00 C ATOM 1792 O VAL B 92 -5.631 -0.862 -2.890 1.00 0.00 O ATOM 1793 CB VAL B 92 -3.587 1.732 -3.045 1.00 0.00 C ATOM 1794 CG1 VAL B 92 -2.675 0.628 -2.543 1.00 0.00 C ATOM 1795 CG2 VAL B 92 -2.793 2.727 -3.870 1.00 0.00 C ATOM 0 H VAL B 92 -5.465 3.092 -4.122 1.00 0.00 H new ATOM 0 HA VAL B 92 -4.327 0.488 -4.621 1.00 0.00 H new ATOM 0 HB VAL B 92 -4.011 2.257 -2.189 1.00 0.00 H new ATOM 0 HG11 VAL B 92 -1.857 1.064 -1.970 1.00 0.00 H new ATOM 0 HG12 VAL B 92 -3.242 -0.051 -1.906 1.00 0.00 H new ATOM 0 HG13 VAL B 92 -2.270 0.077 -3.392 1.00 0.00 H new ATOM 0 HG21 VAL B 92 -1.976 3.127 -3.270 1.00 0.00 H new ATOM 0 HG22 VAL B 92 -2.386 2.228 -4.750 1.00 0.00 H new ATOM 0 HG23 VAL B 92 -3.445 3.542 -4.184 1.00 0.00 H new ATOM 1805 N LYS B 93 -6.500 1.110 -2.207 1.00 0.00 N ATOM 1806 CA LYS B 93 -7.476 0.537 -1.287 1.00 0.00 C ATOM 1807 C LYS B 93 -8.273 -0.541 -2.005 1.00 0.00 C ATOM 1808 O LYS B 93 -8.360 -1.684 -1.554 1.00 0.00 O ATOM 1809 CB LYS B 93 -8.411 1.650 -0.794 1.00 0.00 C ATOM 1810 CG LYS B 93 -9.822 1.191 -0.465 1.00 0.00 C ATOM 1811 CD LYS B 93 -10.767 2.371 -0.315 1.00 0.00 C ATOM 1812 CE LYS B 93 -12.216 1.975 -0.566 1.00 0.00 C ATOM 1813 NZ LYS B 93 -12.378 1.161 -1.803 1.00 0.00 N ATOM 0 H LYS B 93 -6.513 2.129 -2.240 1.00 0.00 H new ATOM 0 HA LYS B 93 -6.969 0.090 -0.432 1.00 0.00 H new ATOM 0 HB2 LYS B 93 -7.975 2.106 0.095 1.00 0.00 H new ATOM 0 HB3 LYS B 93 -8.464 2.426 -1.557 1.00 0.00 H new ATOM 0 HG2 LYS B 93 -10.184 0.530 -1.253 1.00 0.00 H new ATOM 0 HG3 LYS B 93 -9.812 0.611 0.458 1.00 0.00 H new ATOM 0 HD2 LYS B 93 -10.673 2.786 0.689 1.00 0.00 H new ATOM 0 HD3 LYS B 93 -10.480 3.157 -1.013 1.00 0.00 H new ATOM 0 HE2 LYS B 93 -12.588 1.410 0.288 1.00 0.00 H new ATOM 0 HE3 LYS B 93 -12.827 2.874 -0.644 1.00 0.00 H new ATOM 0 HZ1 LYS B 93 -13.283 1.397 -2.258 1.00 0.00 H new ATOM 0 HZ2 LYS B 93 -11.597 1.367 -2.459 1.00 0.00 H new ATOM 0 HZ3 LYS B 93 -12.367 0.150 -1.558 1.00 0.00 H new ATOM 1827 N ASP B 94 -8.812 -0.144 -3.144 1.00 0.00 N ATOM 1828 CA ASP B 94 -9.607 -1.000 -4.001 1.00 0.00 C ATOM 1829 C ASP B 94 -8.861 -2.244 -4.444 1.00 0.00 C ATOM 1830 O ASP B 94 -9.303 -3.360 -4.180 1.00 0.00 O ATOM 1831 CB ASP B 94 -10.064 -0.200 -5.215 1.00 0.00 C ATOM 1832 CG ASP B 94 -11.420 0.439 -5.002 1.00 0.00 C ATOM 1833 OD1 ASP B 94 -11.512 1.403 -4.211 1.00 0.00 O ATOM 1834 OD2 ASP B 94 -12.403 -0.042 -5.601 1.00 0.00 O ATOM 0 H ASP B 94 -8.706 0.804 -3.505 1.00 0.00 H new ATOM 0 HA ASP B 94 -10.466 -1.343 -3.424 1.00 0.00 H new ATOM 0 HB2 ASP B 94 -9.330 0.575 -5.435 1.00 0.00 H new ATOM 0 HB3 ASP B 94 -10.106 -0.855 -6.085 1.00 0.00 H new ATOM 1839 N LEU B 95 -7.727 -2.061 -5.102 1.00 0.00 N ATOM 1840 CA LEU B 95 -6.953 -3.196 -5.591 1.00 0.00 C ATOM 1841 C LEU B 95 -6.543 -4.129 -4.456 1.00 0.00 C ATOM 1842 O LEU B 95 -6.581 -5.349 -4.608 1.00 0.00 O ATOM 1843 CB LEU B 95 -5.718 -2.728 -6.366 1.00 0.00 C ATOM 1844 CG LEU B 95 -5.781 -2.936 -7.887 1.00 0.00 C ATOM 1845 CD1 LEU B 95 -6.122 -4.382 -8.222 1.00 0.00 C ATOM 1846 CD2 LEU B 95 -6.793 -1.988 -8.516 1.00 0.00 C ATOM 0 H LEU B 95 -7.323 -1.148 -5.309 1.00 0.00 H new ATOM 0 HA LEU B 95 -7.597 -3.755 -6.269 1.00 0.00 H new ATOM 0 HB2 LEU B 95 -5.564 -1.667 -6.167 1.00 0.00 H new ATOM 0 HB3 LEU B 95 -4.845 -3.255 -5.979 1.00 0.00 H new ATOM 0 HG LEU B 95 -4.798 -2.714 -8.301 1.00 0.00 H new ATOM 0 HD11 LEU B 95 -6.161 -4.505 -9.304 1.00 0.00 H new ATOM 0 HD12 LEU B 95 -5.358 -5.041 -7.809 1.00 0.00 H new ATOM 0 HD13 LEU B 95 -7.091 -4.636 -7.793 1.00 0.00 H new ATOM 0 HD21 LEU B 95 -6.823 -2.151 -9.593 1.00 0.00 H new ATOM 0 HD22 LEU B 95 -7.780 -2.176 -8.093 1.00 0.00 H new ATOM 0 HD23 LEU B 95 -6.502 -0.958 -8.313 1.00 0.00 H new ATOM 1858 N LEU B 96 -6.194 -3.562 -3.312 1.00 0.00 N ATOM 1859 CA LEU B 96 -5.766 -4.364 -2.176 1.00 0.00 C ATOM 1860 C LEU B 96 -6.902 -5.207 -1.607 1.00 0.00 C ATOM 1861 O LEU B 96 -6.744 -6.414 -1.421 1.00 0.00 O ATOM 1862 CB LEU B 96 -5.162 -3.484 -1.095 1.00 0.00 C ATOM 1863 CG LEU B 96 -3.796 -2.928 -1.468 1.00 0.00 C ATOM 1864 CD1 LEU B 96 -3.214 -2.111 -0.331 1.00 0.00 C ATOM 1865 CD2 LEU B 96 -2.852 -4.052 -1.857 1.00 0.00 C ATOM 0 H LEU B 96 -6.198 -2.556 -3.145 1.00 0.00 H new ATOM 0 HA LEU B 96 -5.002 -5.052 -2.538 1.00 0.00 H new ATOM 0 HB2 LEU B 96 -5.840 -2.656 -0.889 1.00 0.00 H new ATOM 0 HB3 LEU B 96 -5.073 -4.060 -0.174 1.00 0.00 H new ATOM 0 HG LEU B 96 -3.921 -2.269 -2.327 1.00 0.00 H new ATOM 0 HD11 LEU B 96 -2.237 -1.725 -0.623 1.00 0.00 H new ATOM 0 HD12 LEU B 96 -3.880 -1.279 -0.103 1.00 0.00 H new ATOM 0 HD13 LEU B 96 -3.106 -2.741 0.552 1.00 0.00 H new ATOM 0 HD21 LEU B 96 -1.880 -3.636 -2.121 1.00 0.00 H new ATOM 0 HD22 LEU B 96 -2.737 -4.738 -1.018 1.00 0.00 H new ATOM 0 HD23 LEU B 96 -3.260 -4.590 -2.712 1.00 0.00 H new ATOM 1877 N GLN B 97 -8.051 -4.585 -1.361 1.00 0.00 N ATOM 1878 CA GLN B 97 -9.199 -5.301 -0.807 1.00 0.00 C ATOM 1879 C GLN B 97 -9.741 -6.316 -1.805 1.00 0.00 C ATOM 1880 O GLN B 97 -10.404 -7.278 -1.430 1.00 0.00 O ATOM 1881 CB GLN B 97 -10.299 -4.331 -0.373 1.00 0.00 C ATOM 1882 CG GLN B 97 -10.816 -3.430 -1.482 1.00 0.00 C ATOM 1883 CD GLN B 97 -11.557 -2.214 -0.951 1.00 0.00 C ATOM 1884 OE1 GLN B 97 -12.429 -1.660 -1.618 1.00 0.00 O ATOM 1885 NE2 GLN B 97 -11.209 -1.787 0.253 1.00 0.00 N ATOM 0 H GLN B 97 -8.213 -3.593 -1.535 1.00 0.00 H new ATOM 0 HA GLN B 97 -8.858 -5.840 0.077 1.00 0.00 H new ATOM 0 HB2 GLN B 97 -11.133 -4.904 0.031 1.00 0.00 H new ATOM 0 HB3 GLN B 97 -9.918 -3.708 0.437 1.00 0.00 H new ATOM 0 HG2 GLN B 97 -9.979 -3.100 -2.097 1.00 0.00 H new ATOM 0 HG3 GLN B 97 -11.481 -4.002 -2.129 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -10.481 -2.273 0.776 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -11.669 -0.972 0.658 1.00 0.00 H new ATOM 1894 N GLN B 98 -9.464 -6.091 -3.079 1.00 0.00 N ATOM 1895 CA GLN B 98 -9.901 -7.005 -4.121 1.00 0.00 C ATOM 1896 C GLN B 98 -8.969 -8.213 -4.197 1.00 0.00 C ATOM 1897 O GLN B 98 -9.384 -9.324 -4.537 1.00 0.00 O ATOM 1898 CB GLN B 98 -9.921 -6.294 -5.472 1.00 0.00 C ATOM 1899 CG GLN B 98 -11.134 -5.400 -5.681 1.00 0.00 C ATOM 1900 CD GLN B 98 -11.004 -4.525 -6.913 1.00 0.00 C ATOM 1901 OE1 GLN B 98 -10.400 -4.921 -7.909 1.00 0.00 O ATOM 1902 NE2 GLN B 98 -11.563 -3.324 -6.852 1.00 0.00 N ATOM 0 H GLN B 98 -8.939 -5.284 -3.416 1.00 0.00 H new ATOM 0 HA GLN B 98 -10.907 -7.346 -3.877 1.00 0.00 H new ATOM 0 HB2 GLN B 98 -9.017 -5.692 -5.568 1.00 0.00 H new ATOM 0 HB3 GLN B 98 -9.892 -7.041 -6.265 1.00 0.00 H new ATOM 0 HG2 GLN B 98 -12.027 -6.019 -5.771 1.00 0.00 H new ATOM 0 HG3 GLN B 98 -11.272 -4.768 -4.803 1.00 0.00 H new ATOM 0 HE21 GLN B 98 -12.055 -3.033 -6.007 1.00 0.00 H new ATOM 0 HE22 GLN B 98 -11.501 -2.691 -7.650 1.00 0.00 H new ATOM 1911 N LEU B 99 -7.703 -7.986 -3.889 1.00 0.00 N ATOM 1912 CA LEU B 99 -6.693 -9.036 -3.939 1.00 0.00 C ATOM 1913 C LEU B 99 -6.590 -9.835 -2.640 1.00 0.00 C ATOM 1914 O LEU B 99 -6.513 -11.065 -2.686 1.00 0.00 O ATOM 1915 CB LEU B 99 -5.337 -8.429 -4.295 1.00 0.00 C ATOM 1916 CG LEU B 99 -5.252 -7.896 -5.724 1.00 0.00 C ATOM 1917 CD1 LEU B 99 -4.071 -6.952 -5.881 1.00 0.00 C ATOM 1918 CD2 LEU B 99 -5.153 -9.044 -6.719 1.00 0.00 C ATOM 0 H LEU B 99 -7.346 -7.076 -3.599 1.00 0.00 H new ATOM 0 HA LEU B 99 -7.004 -9.741 -4.710 1.00 0.00 H new ATOM 0 HB2 LEU B 99 -5.121 -7.616 -3.601 1.00 0.00 H new ATOM 0 HB3 LEU B 99 -4.564 -9.184 -4.153 1.00 0.00 H new ATOM 0 HG LEU B 99 -6.164 -7.337 -5.931 1.00 0.00 H new ATOM 0 HD11 LEU B 99 -4.032 -6.586 -6.907 1.00 0.00 H new ATOM 0 HD12 LEU B 99 -4.186 -6.109 -5.199 1.00 0.00 H new ATOM 0 HD13 LEU B 99 -3.148 -7.483 -5.650 1.00 0.00 H new ATOM 0 HD21 LEU B 99 -5.093 -8.644 -7.731 1.00 0.00 H new ATOM 0 HD22 LEU B 99 -4.260 -9.632 -6.508 1.00 0.00 H new ATOM 0 HD23 LEU B 99 -6.035 -9.679 -6.631 1.00 0.00 H new ATOM 1930 N LEU B 100 -6.616 -9.140 -1.504 1.00 0.00 N ATOM 1931 CA LEU B 100 -6.481 -9.761 -0.174 1.00 0.00 C ATOM 1932 C LEU B 100 -7.251 -11.081 0.013 1.00 0.00 C ATOM 1933 O LEU B 100 -6.630 -12.094 0.322 1.00 0.00 O ATOM 1934 CB LEU B 100 -6.869 -8.774 0.933 1.00 0.00 C ATOM 1935 CG LEU B 100 -5.720 -7.928 1.482 1.00 0.00 C ATOM 1936 CD1 LEU B 100 -6.224 -6.982 2.559 1.00 0.00 C ATOM 1937 CD2 LEU B 100 -4.620 -8.816 2.039 1.00 0.00 C ATOM 0 H LEU B 100 -6.731 -8.127 -1.473 1.00 0.00 H new ATOM 0 HA LEU B 100 -5.425 -10.021 -0.101 1.00 0.00 H new ATOM 0 HB2 LEU B 100 -7.640 -8.106 0.548 1.00 0.00 H new ATOM 0 HB3 LEU B 100 -7.314 -9.333 1.757 1.00 0.00 H new ATOM 0 HG LEU B 100 -5.309 -7.339 0.662 1.00 0.00 H new ATOM 0 HD11 LEU B 100 -5.393 -6.387 2.939 1.00 0.00 H new ATOM 0 HD12 LEU B 100 -6.981 -6.320 2.137 1.00 0.00 H new ATOM 0 HD13 LEU B 100 -6.660 -7.559 3.375 1.00 0.00 H new ATOM 0 HD21 LEU B 100 -3.811 -8.195 2.425 1.00 0.00 H new ATOM 0 HD22 LEU B 100 -5.022 -9.431 2.845 1.00 0.00 H new ATOM 0 HD23 LEU B 100 -4.237 -9.460 1.248 1.00 0.00 H new ATOM 1949 N PRO B 101 -8.590 -11.117 -0.182 1.00 0.00 N ATOM 1950 CA PRO B 101 -9.393 -12.345 0.025 1.00 0.00 C ATOM 1951 C PRO B 101 -8.927 -13.554 -0.791 1.00 0.00 C ATOM 1952 O PRO B 101 -9.293 -14.687 -0.491 1.00 0.00 O ATOM 1953 CB PRO B 101 -10.799 -11.933 -0.418 1.00 0.00 C ATOM 1954 CG PRO B 101 -10.826 -10.454 -0.265 1.00 0.00 C ATOM 1955 CD PRO B 101 -9.440 -9.987 -0.601 1.00 0.00 C ATOM 0 HA PRO B 101 -9.315 -12.677 1.060 1.00 0.00 H new ATOM 0 HB2 PRO B 101 -10.991 -12.228 -1.450 1.00 0.00 H new ATOM 0 HB3 PRO B 101 -11.563 -12.409 0.197 1.00 0.00 H new ATOM 0 HG2 PRO B 101 -11.563 -10.005 -0.931 1.00 0.00 H new ATOM 0 HG3 PRO B 101 -11.099 -10.170 0.751 1.00 0.00 H new ATOM 0 HD2 PRO B 101 -9.333 -9.777 -1.665 1.00 0.00 H new ATOM 0 HD3 PRO B 101 -9.184 -9.072 -0.068 1.00 0.00 H new ATOM 1963 N LYS B 102 -8.125 -13.321 -1.820 1.00 0.00 N ATOM 1964 CA LYS B 102 -7.645 -14.411 -2.657 1.00 0.00 C ATOM 1965 C LYS B 102 -6.362 -15.026 -2.107 1.00 0.00 C ATOM 1966 O LYS B 102 -5.923 -16.072 -2.580 1.00 0.00 O ATOM 1967 CB LYS B 102 -7.422 -13.930 -4.090 1.00 0.00 C ATOM 1968 CG LYS B 102 -8.608 -14.196 -5.006 1.00 0.00 C ATOM 1969 CD LYS B 102 -8.383 -13.634 -6.402 1.00 0.00 C ATOM 1970 CE LYS B 102 -8.859 -12.192 -6.509 1.00 0.00 C ATOM 1971 NZ LYS B 102 -7.969 -11.253 -5.779 1.00 0.00 N ATOM 0 H LYS B 102 -7.795 -12.395 -2.094 1.00 0.00 H new ATOM 0 HA LYS B 102 -8.414 -15.184 -2.654 1.00 0.00 H new ATOM 0 HB2 LYS B 102 -7.214 -12.860 -4.078 1.00 0.00 H new ATOM 0 HB3 LYS B 102 -6.539 -14.422 -4.498 1.00 0.00 H new ATOM 0 HG2 LYS B 102 -8.783 -15.270 -5.071 1.00 0.00 H new ATOM 0 HG3 LYS B 102 -9.506 -13.752 -4.576 1.00 0.00 H new ATOM 0 HD2 LYS B 102 -7.323 -13.687 -6.650 1.00 0.00 H new ATOM 0 HD3 LYS B 102 -8.912 -14.247 -7.131 1.00 0.00 H new ATOM 0 HE2 LYS B 102 -8.906 -11.903 -7.559 1.00 0.00 H new ATOM 0 HE3 LYS B 102 -9.871 -12.114 -6.111 1.00 0.00 H new ATOM 0 HZ1 LYS B 102 -7.864 -10.376 -6.328 1.00 0.00 H new ATOM 0 HZ2 LYS B 102 -8.383 -11.033 -4.851 1.00 0.00 H new ATOM 0 HZ3 LYS B 102 -7.036 -11.692 -5.646 1.00 0.00 H new ATOM 1985 N PHE B 103 -5.754 -14.372 -1.125 1.00 0.00 N ATOM 1986 CA PHE B 103 -4.514 -14.874 -0.542 1.00 0.00 C ATOM 1987 C PHE B 103 -4.608 -14.979 0.978 1.00 0.00 C ATOM 1988 O PHE B 103 -4.057 -15.902 1.581 1.00 0.00 O ATOM 1989 CB PHE B 103 -3.345 -13.972 -0.943 1.00 0.00 C ATOM 1990 CG PHE B 103 -3.199 -13.825 -2.433 1.00 0.00 C ATOM 1991 CD1 PHE B 103 -2.573 -14.808 -3.182 1.00 0.00 C ATOM 1992 CD2 PHE B 103 -3.700 -12.709 -3.084 1.00 0.00 C ATOM 1993 CE1 PHE B 103 -2.448 -14.680 -4.551 1.00 0.00 C ATOM 1994 CE2 PHE B 103 -3.579 -12.577 -4.454 1.00 0.00 C ATOM 1995 CZ PHE B 103 -2.951 -13.563 -5.188 1.00 0.00 C ATOM 0 H PHE B 103 -6.094 -13.501 -0.718 1.00 0.00 H new ATOM 0 HA PHE B 103 -4.343 -15.878 -0.930 1.00 0.00 H new ATOM 0 HB2 PHE B 103 -3.485 -12.987 -0.498 1.00 0.00 H new ATOM 0 HB3 PHE B 103 -2.421 -14.379 -0.532 1.00 0.00 H new ATOM 0 HD1 PHE B 103 -2.178 -15.684 -2.689 1.00 0.00 H new ATOM 0 HD2 PHE B 103 -4.191 -11.934 -2.514 1.00 0.00 H new ATOM 0 HE1 PHE B 103 -1.957 -15.453 -5.123 1.00 0.00 H new ATOM 0 HE2 PHE B 103 -3.975 -11.703 -4.950 1.00 0.00 H new ATOM 0 HZ PHE B 103 -2.853 -13.461 -6.259 1.00 0.00 H new