USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 962 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 CYS SG : rot 180:sc= -6.81! USER MOD Set 1.2: B 40 CYS SG : rot 120:sc= -11.3! USER MOD Set 2.1: B 5 TYR OH : rot 30:sc= 0.294 USER MOD Set 2.2: B 9 ASN : amide:sc= 0.305 K(o=0.6,f=-0.46) USER MOD Set 3.1: A 9 ASN : amide:sc= -5.21! C(o=-6.5!,f=-4.2!) USER MOD Set 3.2: B 19 GLN : amide:sc= -1.25 K(o=-6.5,f=-4.2) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 152:sc= -0.136 (180deg=-0.806) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -1.37! K(o=-1.4!,f=-0.043) USER MOD Single : A 22 HIS : no HE2:sc= -5.24! C(o=-5.2!,f=-7.5!) USER MOD Single : A 26 MET CE :methyl 157:sc= -3.35! (180deg=-5.61!) USER MOD Single : A 30 LYS NZ :NH3+ 168:sc= 1.21 (180deg=1.12) USER MOD Single : A 32 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0249) USER MOD Single : A 33 ASN : amide:sc= -0.0156 X(o=-0.016,f=-0.043) USER MOD Single : A 35 THR OG1 : rot -83:sc= 1.29 USER MOD Single : A 37 SER OG : rot -162:sc= 1.22 USER MOD Single : A 45 LYS NZ :NH3+ 158:sc= 1.3 (180deg=1.04) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 1.36 K(o=1.4,f=-0.16) USER MOD Single : A 51 HIS : no HD1:sc= 0.835 K(o=0.84,f=-2.7!) USER MOD Single : A 53 LYS NZ :NH3+ -164:sc= -0.0362 (180deg=-0.296) USER MOD Single : A 54 GLN : amide:sc= -0.53 X(o=-0.53,f=-0.2) USER MOD Single : A 55 LYS NZ :NH3+ -148:sc= 1.62 (180deg=0.791) USER MOD Single : A 56 LYS NZ :NH3+ 168:sc= 1.06 (180deg=0.891) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 LYS NZ :NH3+ 165:sc= -0.0167 (180deg=-0.207) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 22 HIS : no HD1:sc= -5.84! C(o=-5.8!,f=-4.8!) USER MOD Single : B 26 MET CE :methyl 160:sc= -0.134 (180deg=-0.672) USER MOD Single : B 30 LYS NZ :NH3+ -115:sc= 0.944 (180deg=0.00957) USER MOD Single : B 32 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00665) USER MOD Single : B 33 ASN : amide:sc= -0.856 K(o=-0.86,f=-0.25) USER MOD Single : B 35 THR OG1 : rot -63:sc= 1.25 USER MOD Single : B 37 SER OG : rot -149:sc= 0.693 USER MOD Single : B 45 LYS NZ :NH3+ 161:sc= 1.24 (180deg=0.886) USER MOD Single : B 47 TYR OH : rot 180:sc= 0 USER MOD Single : B 50 ASN : amide:sc= 1.44 K(o=1.4,f=-0.41) USER MOD Single : B 51 HIS : no HD1:sc= 0.201 K(o=0.2,f=-0.79) USER MOD Single : B 53 LYS NZ :NH3+ -163:sc= -0.0953 (180deg=-0.405) USER MOD Single : B 54 GLN : amide:sc= -0.333 X(o=-0.33,f=-0.25) USER MOD Single : B 55 LYS NZ :NH3+ 154:sc= 0.529 (180deg=-0.0273) USER MOD Single : B 56 LYS NZ :NH3+ 170:sc= 1.3 (180deg=1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -12.619 16.368 -6.807 1.00 0.00 N ATOM 2 CA GLY A 2 -13.584 17.383 -6.320 1.00 0.00 C ATOM 3 C GLY A 2 -14.438 16.848 -5.191 1.00 0.00 C ATOM 4 O GLY A 2 -14.043 15.910 -4.500 1.00 0.00 O ATOM 0 HA2 GLY A 2 -13.043 18.266 -5.980 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -14.225 17.700 -7.143 1.00 0.00 H new ATOM 10 N ARG A 3 -15.619 17.423 -5.014 1.00 0.00 N ATOM 11 CA ARG A 3 -16.489 17.057 -3.905 1.00 0.00 C ATOM 12 C ARG A 3 -17.906 16.755 -4.392 1.00 0.00 C ATOM 13 O ARG A 3 -18.786 17.610 -4.314 1.00 0.00 O ATOM 14 CB ARG A 3 -16.529 18.192 -2.880 1.00 0.00 C ATOM 15 CG ARG A 3 -15.229 18.386 -2.120 1.00 0.00 C ATOM 16 CD ARG A 3 -15.199 19.736 -1.415 1.00 0.00 C ATOM 17 NE ARG A 3 -16.397 19.965 -0.608 1.00 0.00 N ATOM 18 CZ ARG A 3 -16.817 21.171 -0.208 1.00 0.00 C ATOM 19 NH1 ARG A 3 -16.107 22.263 -0.479 1.00 0.00 N ATOM 20 NH2 ARG A 3 -17.952 21.284 0.469 1.00 0.00 N ATOM 0 H ARG A 3 -15.997 18.146 -5.625 1.00 0.00 H new ATOM 0 HA ARG A 3 -16.086 16.157 -3.441 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -16.780 19.121 -3.392 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -17.329 17.995 -2.166 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -15.110 17.588 -1.387 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.388 18.314 -2.809 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -14.317 19.791 -0.777 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -15.106 20.529 -2.157 1.00 0.00 H new ATOM 0 HE ARG A 3 -16.948 19.152 -0.332 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -15.232 22.187 -0.997 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -16.438 23.177 -0.169 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -18.503 20.453 0.684 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -18.274 22.202 0.775 1.00 0.00 H new ATOM 34 N PRO A 4 -18.145 15.543 -4.912 1.00 0.00 N ATOM 35 CA PRO A 4 -19.477 15.124 -5.361 1.00 0.00 C ATOM 36 C PRO A 4 -20.413 14.878 -4.180 1.00 0.00 C ATOM 37 O PRO A 4 -21.502 15.442 -4.100 1.00 0.00 O ATOM 38 CB PRO A 4 -19.219 13.812 -6.119 1.00 0.00 C ATOM 39 CG PRO A 4 -17.735 13.712 -6.264 1.00 0.00 C ATOM 40 CD PRO A 4 -17.148 14.490 -5.124 1.00 0.00 C ATOM 0 HA PRO A 4 -19.960 15.885 -5.973 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -19.617 12.958 -5.570 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -19.708 13.820 -7.093 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -17.410 12.672 -6.233 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -17.409 14.119 -7.221 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -17.016 13.872 -4.236 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -16.170 14.901 -5.374 1.00 0.00 H new ATOM 48 N TYR A 5 -19.962 14.035 -3.263 1.00 0.00 N ATOM 49 CA TYR A 5 -20.712 13.715 -2.056 1.00 0.00 C ATOM 50 C TYR A 5 -19.727 13.351 -0.953 1.00 0.00 C ATOM 51 O TYR A 5 -19.908 13.708 0.212 1.00 0.00 O ATOM 52 CB TYR A 5 -21.706 12.564 -2.311 1.00 0.00 C ATOM 53 CG TYR A 5 -21.062 11.255 -2.727 1.00 0.00 C ATOM 54 CD1 TYR A 5 -20.501 11.101 -3.988 1.00 0.00 C ATOM 55 CD2 TYR A 5 -21.018 10.173 -1.855 1.00 0.00 C ATOM 56 CE1 TYR A 5 -19.912 9.911 -4.367 1.00 0.00 C ATOM 57 CE2 TYR A 5 -20.432 8.979 -2.227 1.00 0.00 C ATOM 58 CZ TYR A 5 -19.880 8.854 -3.483 1.00 0.00 C ATOM 59 OH TYR A 5 -19.291 7.668 -3.859 1.00 0.00 O ATOM 0 H TYR A 5 -19.066 13.553 -3.334 1.00 0.00 H new ATOM 0 HA TYR A 5 -21.298 14.582 -1.751 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -22.287 12.396 -1.405 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -22.407 12.872 -3.087 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -20.526 11.926 -4.684 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -21.450 10.268 -0.870 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -19.479 9.809 -5.351 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -20.407 8.148 -1.537 1.00 0.00 H new ATOM 0 HH TYR A 5 -19.351 7.025 -3.122 1.00 0.00 H new ATOM 69 N LYS A 6 -18.670 12.655 -1.356 1.00 0.00 N ATOM 70 CA LYS A 6 -17.554 12.335 -0.482 1.00 0.00 C ATOM 71 C LYS A 6 -16.258 12.593 -1.227 1.00 0.00 C ATOM 72 O LYS A 6 -16.274 13.034 -2.377 1.00 0.00 O ATOM 73 CB LYS A 6 -17.602 10.871 -0.035 1.00 0.00 C ATOM 74 CG LYS A 6 -18.748 10.551 0.906 1.00 0.00 C ATOM 75 CD LYS A 6 -18.670 11.352 2.199 1.00 0.00 C ATOM 76 CE LYS A 6 -17.550 10.857 3.100 1.00 0.00 C ATOM 77 NZ LYS A 6 -17.429 11.674 4.337 1.00 0.00 N ATOM 0 H LYS A 6 -18.565 12.296 -2.305 1.00 0.00 H new ATOM 0 HA LYS A 6 -17.615 12.963 0.407 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -17.681 10.235 -0.917 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -16.662 10.621 0.456 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -19.695 10.760 0.408 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -18.738 9.486 1.139 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -18.511 12.405 1.966 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -19.620 11.283 2.728 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -17.734 9.817 3.369 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -16.607 10.883 2.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -16.654 11.303 4.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -17.228 12.662 4.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -18.320 11.629 4.872 1.00 0.00 H new ATOM 91 N LEU A 7 -15.145 12.278 -0.594 1.00 0.00 N ATOM 92 CA LEU A 7 -13.842 12.607 -1.152 1.00 0.00 C ATOM 93 C LEU A 7 -13.323 11.485 -2.044 1.00 0.00 C ATOM 94 O LEU A 7 -12.356 10.806 -1.706 1.00 0.00 O ATOM 95 CB LEU A 7 -12.843 12.906 -0.032 1.00 0.00 C ATOM 96 CG LEU A 7 -13.195 14.114 0.841 1.00 0.00 C ATOM 97 CD1 LEU A 7 -12.168 14.292 1.948 1.00 0.00 C ATOM 98 CD2 LEU A 7 -13.290 15.381 0.000 1.00 0.00 C ATOM 0 H LEU A 7 -15.113 11.796 0.304 1.00 0.00 H new ATOM 0 HA LEU A 7 -13.956 13.499 -1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -12.761 12.026 0.606 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -11.861 13.070 -0.475 1.00 0.00 H new ATOM 0 HG LEU A 7 -14.168 13.929 1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -12.436 15.155 2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -12.148 13.399 2.573 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -11.183 14.449 1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -13.541 16.226 0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -12.333 15.567 -0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -14.064 15.258 -0.757 1.00 0.00 H new ATOM 110 N LEU A 8 -14.008 11.286 -3.170 1.00 0.00 N ATOM 111 CA LEU A 8 -13.584 10.345 -4.214 1.00 0.00 C ATOM 112 C LEU A 8 -13.367 8.927 -3.677 1.00 0.00 C ATOM 113 O LEU A 8 -12.577 8.163 -4.234 1.00 0.00 O ATOM 114 CB LEU A 8 -12.307 10.851 -4.891 1.00 0.00 C ATOM 115 CG LEU A 8 -12.438 12.207 -5.592 1.00 0.00 C ATOM 116 CD1 LEU A 8 -11.107 12.622 -6.201 1.00 0.00 C ATOM 117 CD2 LEU A 8 -13.513 12.153 -6.665 1.00 0.00 C ATOM 0 H LEU A 8 -14.877 11.774 -3.387 1.00 0.00 H new ATOM 0 HA LEU A 8 -14.392 10.291 -4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.520 10.922 -4.140 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.984 10.111 -5.623 1.00 0.00 H new ATOM 0 HG LEU A 8 -12.728 12.949 -4.849 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -11.218 13.587 -6.695 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.356 12.701 -5.415 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -10.792 11.876 -6.930 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.591 13.125 -7.151 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -13.251 11.397 -7.405 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -14.470 11.898 -6.209 1.00 0.00 H new ATOM 129 N ASN A 9 -14.065 8.588 -2.591 1.00 0.00 N ATOM 130 CA ASN A 9 -13.999 7.250 -1.993 1.00 0.00 C ATOM 131 C ASN A 9 -12.556 6.893 -1.590 1.00 0.00 C ATOM 132 O ASN A 9 -12.174 5.725 -1.562 1.00 0.00 O ATOM 133 CB ASN A 9 -14.568 6.204 -2.974 1.00 0.00 C ATOM 134 CG ASN A 9 -14.899 4.868 -2.319 1.00 0.00 C ATOM 135 OD1 ASN A 9 -14.049 3.985 -2.203 1.00 0.00 O ATOM 136 ND2 ASN A 9 -16.147 4.699 -1.907 1.00 0.00 N ATOM 0 H ASN A 9 -14.690 9.229 -2.102 1.00 0.00 H new ATOM 0 HA ASN A 9 -14.605 7.247 -1.087 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -15.470 6.605 -3.437 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -13.846 6.038 -3.774 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -16.428 3.817 -1.479 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -16.827 5.451 -2.018 1.00 0.00 H new ATOM 143 N GLY A 10 -11.754 7.898 -1.258 1.00 0.00 N ATOM 144 CA GLY A 10 -10.378 7.635 -0.885 1.00 0.00 C ATOM 145 C GLY A 10 -9.745 8.784 -0.135 1.00 0.00 C ATOM 146 O GLY A 10 -10.038 9.945 -0.404 1.00 0.00 O ATOM 0 H GLY A 10 -12.028 8.880 -1.240 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.339 6.738 -0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.796 7.429 -1.783 1.00 0.00 H new ATOM 150 N ILE A 11 -8.876 8.460 0.809 1.00 0.00 N ATOM 151 CA ILE A 11 -8.235 9.472 1.637 1.00 0.00 C ATOM 152 C ILE A 11 -6.728 9.218 1.677 1.00 0.00 C ATOM 153 O ILE A 11 -6.284 8.062 1.653 1.00 0.00 O ATOM 154 CB ILE A 11 -8.804 9.473 3.080 1.00 0.00 C ATOM 155 CG1 ILE A 11 -10.338 9.546 3.079 1.00 0.00 C ATOM 156 CG2 ILE A 11 -8.227 10.623 3.900 1.00 0.00 C ATOM 157 CD1 ILE A 11 -10.889 10.846 2.538 1.00 0.00 C ATOM 0 H ILE A 11 -8.597 7.502 1.022 1.00 0.00 H new ATOM 0 HA ILE A 11 -8.438 10.448 1.197 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.506 8.532 3.542 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.731 8.721 2.485 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.699 9.406 4.098 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.644 10.597 4.907 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.143 10.523 3.954 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.481 11.571 3.426 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.978 10.821 2.570 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.527 11.675 3.146 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -10.559 10.980 1.508 1.00 0.00 H new ATOM 169 N LYS A 12 -5.950 10.289 1.756 1.00 0.00 N ATOM 170 CA LYS A 12 -4.499 10.204 1.646 1.00 0.00 C ATOM 171 C LYS A 12 -3.856 10.275 3.032 1.00 0.00 C ATOM 172 O LYS A 12 -4.281 11.051 3.886 1.00 0.00 O ATOM 173 CB LYS A 12 -4.012 11.346 0.743 1.00 0.00 C ATOM 174 CG LYS A 12 -2.566 11.242 0.282 1.00 0.00 C ATOM 175 CD LYS A 12 -1.600 11.873 1.271 1.00 0.00 C ATOM 176 CE LYS A 12 -0.278 12.221 0.604 1.00 0.00 C ATOM 177 NZ LYS A 12 -0.458 13.218 -0.486 1.00 0.00 N ATOM 0 H LYS A 12 -6.303 11.235 1.897 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.209 9.251 1.204 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.654 11.390 -0.137 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.139 12.288 1.277 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -2.306 10.193 0.142 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -2.460 11.729 -0.688 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -2.045 12.774 1.694 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.423 11.186 2.099 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.413 12.617 1.349 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.175 11.316 0.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.414 13.775 -0.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.667 12.724 -1.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.247 13.853 -0.249 1.00 0.00 H new ATOM 191 N LEU A 13 -2.837 9.453 3.247 1.00 0.00 N ATOM 192 CA LEU A 13 -2.230 9.308 4.564 1.00 0.00 C ATOM 193 C LEU A 13 -0.716 9.495 4.522 1.00 0.00 C ATOM 194 O LEU A 13 -0.074 9.300 3.485 1.00 0.00 O ATOM 195 CB LEU A 13 -2.567 7.931 5.148 1.00 0.00 C ATOM 196 CG LEU A 13 -2.358 6.741 4.200 1.00 0.00 C ATOM 197 CD1 LEU A 13 -2.041 5.480 4.985 1.00 0.00 C ATOM 198 CD2 LEU A 13 -3.602 6.520 3.342 1.00 0.00 C ATOM 0 H LEU A 13 -2.412 8.874 2.523 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.642 10.091 5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.958 7.775 6.039 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.608 7.938 5.471 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.514 6.969 3.549 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.896 4.649 4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.131 5.632 5.566 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.868 5.253 5.658 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.438 5.673 2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.457 6.315 3.986 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.800 7.414 2.751 1.00 0.00 H new ATOM 210 N GLY A 14 -0.161 9.905 5.654 1.00 0.00 N ATOM 211 CA GLY A 14 1.271 10.065 5.776 1.00 0.00 C ATOM 212 C GLY A 14 1.904 8.946 6.576 1.00 0.00 C ATOM 213 O GLY A 14 1.577 8.755 7.747 1.00 0.00 O ATOM 0 H GLY A 14 -0.686 10.132 6.499 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.718 10.097 4.782 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.489 11.020 6.254 1.00 0.00 H new ATOM 217 N VAL A 15 2.798 8.203 5.947 1.00 0.00 N ATOM 218 CA VAL A 15 3.450 7.070 6.593 1.00 0.00 C ATOM 219 C VAL A 15 4.939 7.368 6.801 1.00 0.00 C ATOM 220 O VAL A 15 5.485 8.276 6.168 1.00 0.00 O ATOM 221 CB VAL A 15 3.283 5.782 5.742 1.00 0.00 C ATOM 222 CG1 VAL A 15 3.737 4.545 6.503 1.00 0.00 C ATOM 223 CG2 VAL A 15 1.841 5.623 5.286 1.00 0.00 C ATOM 0 H VAL A 15 3.092 8.363 4.984 1.00 0.00 H new ATOM 0 HA VAL A 15 2.978 6.909 7.562 1.00 0.00 H new ATOM 0 HB VAL A 15 3.920 5.885 4.863 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.605 3.663 5.876 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.789 4.647 6.769 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.142 4.437 7.410 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.746 4.715 4.691 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.189 5.557 6.157 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.553 6.484 4.682 1.00 0.00 H new ATOM 233 N TYR A 16 5.585 6.618 7.693 1.00 0.00 N ATOM 234 CA TYR A 16 7.023 6.740 7.913 1.00 0.00 C ATOM 235 C TYR A 16 7.680 5.375 8.012 1.00 0.00 C ATOM 236 O TYR A 16 7.090 4.427 8.531 1.00 0.00 O ATOM 237 CB TYR A 16 7.343 7.505 9.194 1.00 0.00 C ATOM 238 CG TYR A 16 7.324 9.004 9.052 1.00 0.00 C ATOM 239 CD1 TYR A 16 8.469 9.677 8.664 1.00 0.00 C ATOM 240 CD2 TYR A 16 6.179 9.743 9.311 1.00 0.00 C ATOM 241 CE1 TYR A 16 8.483 11.047 8.540 1.00 0.00 C ATOM 242 CE2 TYR A 16 6.180 11.118 9.187 1.00 0.00 C ATOM 243 CZ TYR A 16 7.334 11.769 8.800 1.00 0.00 C ATOM 244 OH TYR A 16 7.344 13.142 8.679 1.00 0.00 O ATOM 0 H TYR A 16 5.131 5.916 8.277 1.00 0.00 H new ATOM 0 HA TYR A 16 7.413 7.288 7.055 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.625 7.217 9.962 1.00 0.00 H new ATOM 0 HB3 TYR A 16 8.328 7.199 9.547 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.368 9.117 8.455 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.275 9.236 9.614 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.388 11.556 8.241 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.282 11.682 9.392 1.00 0.00 H new ATOM 0 HH TYR A 16 6.456 13.496 8.896 1.00 0.00 H new ATOM 254 N ILE A 17 8.901 5.303 7.501 1.00 0.00 N ATOM 255 CA ILE A 17 9.780 4.151 7.681 1.00 0.00 C ATOM 256 C ILE A 17 11.231 4.591 7.518 1.00 0.00 C ATOM 257 O ILE A 17 11.508 5.554 6.793 1.00 0.00 O ATOM 258 CB ILE A 17 9.478 2.968 6.720 1.00 0.00 C ATOM 259 CG1 ILE A 17 9.051 3.457 5.334 1.00 0.00 C ATOM 260 CG2 ILE A 17 8.429 2.038 7.317 1.00 0.00 C ATOM 261 CD1 ILE A 17 8.725 2.327 4.375 1.00 0.00 C ATOM 0 H ILE A 17 9.316 6.050 6.943 1.00 0.00 H new ATOM 0 HA ILE A 17 9.596 3.776 8.688 1.00 0.00 H new ATOM 0 HB ILE A 17 10.403 2.405 6.595 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.178 4.101 5.436 1.00 0.00 H new ATOM 0 HG13 ILE A 17 9.849 4.066 4.909 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.234 1.218 6.626 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.794 1.637 8.263 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.507 2.593 7.490 1.00 0.00 H new ATOM 0 HD11 ILE A 17 8.430 2.742 3.411 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.604 1.696 4.244 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.907 1.731 4.780 1.00 0.00 H new ATOM 273 N PRO A 18 12.161 3.915 8.216 1.00 0.00 N ATOM 274 CA PRO A 18 13.592 4.266 8.238 1.00 0.00 C ATOM 275 C PRO A 18 14.226 4.483 6.859 1.00 0.00 C ATOM 276 O PRO A 18 13.655 4.122 5.824 1.00 0.00 O ATOM 277 CB PRO A 18 14.236 3.060 8.923 1.00 0.00 C ATOM 278 CG PRO A 18 13.173 2.526 9.813 1.00 0.00 C ATOM 279 CD PRO A 18 11.877 2.756 9.088 1.00 0.00 C ATOM 0 HA PRO A 18 13.739 5.222 8.741 1.00 0.00 H new ATOM 0 HB2 PRO A 18 14.556 2.314 8.195 1.00 0.00 H new ATOM 0 HB3 PRO A 18 15.120 3.351 9.491 1.00 0.00 H new ATOM 0 HG2 PRO A 18 13.326 1.465 10.012 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.178 3.035 10.777 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.583 1.882 8.508 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.063 2.967 9.781 1.00 0.00 H new ATOM 287 N GLN A 19 15.417 5.075 6.854 1.00 0.00 N ATOM 288 CA GLN A 19 16.162 5.307 5.619 1.00 0.00 C ATOM 289 C GLN A 19 16.394 3.993 4.871 1.00 0.00 C ATOM 290 O GLN A 19 16.216 3.921 3.653 1.00 0.00 O ATOM 291 CB GLN A 19 17.500 5.996 5.917 1.00 0.00 C ATOM 292 CG GLN A 19 18.366 5.260 6.933 1.00 0.00 C ATOM 293 CD GLN A 19 19.761 5.846 7.060 1.00 0.00 C ATOM 294 OE1 GLN A 19 20.364 5.810 8.132 1.00 0.00 O ATOM 295 NE2 GLN A 19 20.292 6.369 5.965 1.00 0.00 N ATOM 0 H GLN A 19 15.889 5.405 7.696 1.00 0.00 H new ATOM 0 HA GLN A 19 15.569 5.964 4.983 1.00 0.00 H new ATOM 0 HB2 GLN A 19 18.058 6.099 4.987 1.00 0.00 H new ATOM 0 HB3 GLN A 19 17.304 7.003 6.285 1.00 0.00 H new ATOM 0 HG2 GLN A 19 17.877 5.287 7.907 1.00 0.00 H new ATOM 0 HG3 GLN A 19 18.443 4.212 6.644 1.00 0.00 H new ATOM 0 HE21 GLN A 19 19.760 6.380 5.095 1.00 0.00 H new ATOM 0 HE22 GLN A 19 21.233 6.761 5.992 1.00 0.00 H new ATOM 304 N GLU A 20 16.754 2.951 5.621 1.00 0.00 N ATOM 305 CA GLU A 20 16.987 1.617 5.064 1.00 0.00 C ATOM 306 C GLU A 20 15.756 1.105 4.319 1.00 0.00 C ATOM 307 O GLU A 20 15.861 0.319 3.383 1.00 0.00 O ATOM 308 CB GLU A 20 17.343 0.645 6.185 1.00 0.00 C ATOM 309 CG GLU A 20 18.571 1.057 6.973 1.00 0.00 C ATOM 310 CD GLU A 20 18.800 0.170 8.173 1.00 0.00 C ATOM 311 OE1 GLU A 20 19.270 -0.972 7.992 1.00 0.00 O ATOM 312 OE2 GLU A 20 18.507 0.609 9.301 1.00 0.00 O ATOM 0 H GLU A 20 16.892 3.007 6.630 1.00 0.00 H new ATOM 0 HA GLU A 20 17.813 1.686 4.356 1.00 0.00 H new ATOM 0 HB2 GLU A 20 16.496 0.561 6.865 1.00 0.00 H new ATOM 0 HB3 GLU A 20 17.509 -0.344 5.759 1.00 0.00 H new ATOM 0 HG2 GLU A 20 19.446 1.021 6.324 1.00 0.00 H new ATOM 0 HG3 GLU A 20 18.460 2.090 7.302 1.00 0.00 H new ATOM 319 N TRP A 21 14.595 1.592 4.711 1.00 0.00 N ATOM 320 CA TRP A 21 13.351 1.157 4.109 1.00 0.00 C ATOM 321 C TRP A 21 13.133 1.866 2.788 1.00 0.00 C ATOM 322 O TRP A 21 12.787 1.242 1.793 1.00 0.00 O ATOM 323 CB TRP A 21 12.183 1.452 5.040 1.00 0.00 C ATOM 324 CG TRP A 21 11.807 0.312 5.930 1.00 0.00 C ATOM 325 CD1 TRP A 21 12.234 0.074 7.204 1.00 0.00 C ATOM 326 CD2 TRP A 21 10.903 -0.742 5.606 1.00 0.00 C ATOM 327 NE1 TRP A 21 11.632 -1.057 7.696 1.00 0.00 N ATOM 328 CE2 TRP A 21 10.814 -1.578 6.732 1.00 0.00 C ATOM 329 CE3 TRP A 21 10.154 -1.054 4.473 1.00 0.00 C ATOM 330 CZ2 TRP A 21 10.003 -2.708 6.752 1.00 0.00 C ATOM 331 CZ3 TRP A 21 9.353 -2.173 4.493 1.00 0.00 C ATOM 332 CH2 TRP A 21 9.280 -2.985 5.625 1.00 0.00 C ATOM 0 H TRP A 21 14.488 2.291 5.446 1.00 0.00 H new ATOM 0 HA TRP A 21 13.410 0.082 3.936 1.00 0.00 H new ATOM 0 HB2 TRP A 21 12.434 2.314 5.658 1.00 0.00 H new ATOM 0 HB3 TRP A 21 11.317 1.732 4.441 1.00 0.00 H new ATOM 0 HD1 TRP A 21 12.941 0.685 7.745 1.00 0.00 H new ATOM 0 HE1 TRP A 21 11.772 -1.446 8.629 1.00 0.00 H new ATOM 0 HE3 TRP A 21 10.201 -0.428 3.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 9.947 -3.342 7.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 8.772 -2.426 3.619 1.00 0.00 H new ATOM 0 HH2 TRP A 21 8.637 -3.853 5.611 1.00 0.00 H new ATOM 343 N HIS A 22 13.363 3.170 2.775 1.00 0.00 N ATOM 344 CA HIS A 22 13.200 3.945 1.556 1.00 0.00 C ATOM 345 C HIS A 22 14.223 3.519 0.514 1.00 0.00 C ATOM 346 O HIS A 22 13.884 3.340 -0.647 1.00 0.00 O ATOM 347 CB HIS A 22 13.306 5.448 1.829 1.00 0.00 C ATOM 348 CG HIS A 22 12.032 6.051 2.324 1.00 0.00 C ATOM 349 ND1 HIS A 22 11.275 6.923 1.572 1.00 0.00 N ATOM 350 CD2 HIS A 22 11.380 5.916 3.503 1.00 0.00 C ATOM 351 CE1 HIS A 22 10.221 7.302 2.263 1.00 0.00 C ATOM 352 NE2 HIS A 22 10.257 6.705 3.443 1.00 0.00 N ATOM 0 H HIS A 22 13.661 3.710 3.588 1.00 0.00 H new ATOM 0 HA HIS A 22 12.201 3.748 1.168 1.00 0.00 H new ATOM 0 HB2 HIS A 22 14.092 5.622 2.564 1.00 0.00 H new ATOM 0 HB3 HIS A 22 13.608 5.956 0.913 1.00 0.00 H new ATOM 0 HD1 HIS A 22 11.498 7.228 0.624 1.00 0.00 H new ATOM 0 HD2 HIS A 22 11.686 5.301 4.337 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.456 7.985 1.924 1.00 0.00 H new ATOM 361 N ASP A 23 15.462 3.327 0.947 1.00 0.00 N ATOM 362 CA ASP A 23 16.540 2.920 0.049 1.00 0.00 C ATOM 363 C ASP A 23 16.214 1.596 -0.647 1.00 0.00 C ATOM 364 O ASP A 23 16.292 1.484 -1.876 1.00 0.00 O ATOM 365 CB ASP A 23 17.848 2.794 0.837 1.00 0.00 C ATOM 366 CG ASP A 23 19.008 2.321 -0.016 1.00 0.00 C ATOM 367 OD1 ASP A 23 19.669 3.163 -0.656 1.00 0.00 O ATOM 368 OD2 ASP A 23 19.283 1.104 -0.028 1.00 0.00 O ATOM 0 H ASP A 23 15.748 3.447 1.919 1.00 0.00 H new ATOM 0 HA ASP A 23 16.651 3.683 -0.721 1.00 0.00 H new ATOM 0 HB2 ASP A 23 18.097 3.761 1.275 1.00 0.00 H new ATOM 0 HB3 ASP A 23 17.703 2.097 1.663 1.00 0.00 H new ATOM 373 N ARG A 24 15.800 0.608 0.136 1.00 0.00 N ATOM 374 CA ARG A 24 15.529 -0.720 -0.397 1.00 0.00 C ATOM 375 C ARG A 24 14.220 -0.727 -1.176 1.00 0.00 C ATOM 376 O ARG A 24 14.139 -1.315 -2.253 1.00 0.00 O ATOM 377 CB ARG A 24 15.468 -1.763 0.729 1.00 0.00 C ATOM 378 CG ARG A 24 16.827 -2.258 1.227 1.00 0.00 C ATOM 379 CD ARG A 24 17.742 -1.117 1.630 1.00 0.00 C ATOM 380 NE ARG A 24 18.585 -1.457 2.775 1.00 0.00 N ATOM 381 CZ ARG A 24 19.606 -0.714 3.194 1.00 0.00 C ATOM 382 NH1 ARG A 24 19.965 0.370 2.517 1.00 0.00 N ATOM 383 NH2 ARG A 24 20.277 -1.066 4.283 1.00 0.00 N ATOM 0 H ARG A 24 15.645 0.701 1.140 1.00 0.00 H new ATOM 0 HA ARG A 24 16.346 -0.981 -1.070 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.923 -1.335 1.571 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.892 -2.620 0.379 1.00 0.00 H new ATOM 0 HG2 ARG A 24 16.680 -2.921 2.079 1.00 0.00 H new ATOM 0 HG3 ARG A 24 17.306 -2.846 0.444 1.00 0.00 H new ATOM 0 HD2 ARG A 24 18.374 -0.846 0.785 1.00 0.00 H new ATOM 0 HD3 ARG A 24 17.141 -0.241 1.872 1.00 0.00 H new ATOM 0 HE ARG A 24 18.378 -2.316 3.284 1.00 0.00 H new ATOM 0 HH11 ARG A 24 19.458 0.635 1.673 1.00 0.00 H new ATOM 0 HH12 ARG A 24 20.748 0.937 2.841 1.00 0.00 H new ATOM 0 HH21 ARG A 24 20.010 -1.905 4.798 1.00 0.00 H new ATOM 0 HH22 ARG A 24 21.060 -0.497 4.606 1.00 0.00 H new ATOM 397 N LEU A 25 13.205 -0.052 -0.647 1.00 0.00 N ATOM 398 CA LEU A 25 11.916 0.008 -1.319 1.00 0.00 C ATOM 399 C LEU A 25 12.017 0.761 -2.633 1.00 0.00 C ATOM 400 O LEU A 25 11.315 0.438 -3.571 1.00 0.00 O ATOM 401 CB LEU A 25 10.836 0.644 -0.438 1.00 0.00 C ATOM 402 CG LEU A 25 10.249 -0.271 0.640 1.00 0.00 C ATOM 403 CD1 LEU A 25 9.080 0.412 1.330 1.00 0.00 C ATOM 404 CD2 LEU A 25 9.814 -1.602 0.040 1.00 0.00 C ATOM 0 H LEU A 25 13.250 0.456 0.236 1.00 0.00 H new ATOM 0 HA LEU A 25 11.623 -1.022 -1.522 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.258 1.525 0.046 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.025 0.990 -1.079 1.00 0.00 H new ATOM 0 HG LEU A 25 11.022 -0.471 1.382 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.672 -0.249 2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.422 1.337 1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.307 0.639 0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.400 -2.236 0.824 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.056 -1.427 -0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 25 10.675 -2.097 -0.410 1.00 0.00 H new ATOM 416 N MET A 26 12.887 1.762 -2.702 1.00 0.00 N ATOM 417 CA MET A 26 13.098 2.494 -3.950 1.00 0.00 C ATOM 418 C MET A 26 13.644 1.573 -5.030 1.00 0.00 C ATOM 419 O MET A 26 13.178 1.597 -6.172 1.00 0.00 O ATOM 420 CB MET A 26 14.046 3.683 -3.755 1.00 0.00 C ATOM 421 CG MET A 26 13.405 4.901 -3.096 1.00 0.00 C ATOM 422 SD MET A 26 12.384 5.890 -4.217 1.00 0.00 S ATOM 423 CE MET A 26 10.990 4.805 -4.530 1.00 0.00 C ATOM 0 H MET A 26 13.454 2.085 -1.918 1.00 0.00 H new ATOM 0 HA MET A 26 12.128 2.879 -4.265 1.00 0.00 H new ATOM 0 HB2 MET A 26 14.893 3.361 -3.149 1.00 0.00 H new ATOM 0 HB3 MET A 26 14.443 3.978 -4.726 1.00 0.00 H new ATOM 0 HG2 MET A 26 12.791 4.568 -2.260 1.00 0.00 H new ATOM 0 HG3 MET A 26 14.191 5.534 -2.683 1.00 0.00 H new ATOM 0 HE1 MET A 26 10.130 5.398 -4.842 1.00 0.00 H new ATOM 0 HE2 MET A 26 11.249 4.098 -5.318 1.00 0.00 H new ATOM 0 HE3 MET A 26 10.743 4.259 -3.620 1.00 0.00 H new ATOM 433 N GLU A 27 14.635 0.766 -4.672 1.00 0.00 N ATOM 434 CA GLU A 27 15.242 -0.140 -5.632 1.00 0.00 C ATOM 435 C GLU A 27 14.251 -1.228 -6.046 1.00 0.00 C ATOM 436 O GLU A 27 14.100 -1.533 -7.232 1.00 0.00 O ATOM 437 CB GLU A 27 16.510 -0.756 -5.042 1.00 0.00 C ATOM 438 CG GLU A 27 17.511 -1.191 -6.094 1.00 0.00 C ATOM 439 CD GLU A 27 17.911 -0.048 -7.006 1.00 0.00 C ATOM 440 OE1 GLU A 27 18.700 0.819 -6.571 1.00 0.00 O ATOM 441 OE2 GLU A 27 17.444 -0.011 -8.162 1.00 0.00 O ATOM 0 H GLU A 27 15.031 0.722 -3.733 1.00 0.00 H new ATOM 0 HA GLU A 27 15.514 0.425 -6.524 1.00 0.00 H new ATOM 0 HB2 GLU A 27 16.982 -0.032 -4.378 1.00 0.00 H new ATOM 0 HB3 GLU A 27 16.237 -1.617 -4.432 1.00 0.00 H new ATOM 0 HG2 GLU A 27 18.399 -1.592 -5.605 1.00 0.00 H new ATOM 0 HG3 GLU A 27 17.083 -1.997 -6.690 1.00 0.00 H new ATOM 448 N ILE A 28 13.566 -1.797 -5.063 1.00 0.00 N ATOM 449 CA ILE A 28 12.554 -2.818 -5.327 1.00 0.00 C ATOM 450 C ILE A 28 11.398 -2.243 -6.152 1.00 0.00 C ATOM 451 O ILE A 28 10.881 -2.893 -7.061 1.00 0.00 O ATOM 452 CB ILE A 28 12.008 -3.421 -4.009 1.00 0.00 C ATOM 453 CG1 ILE A 28 13.136 -4.115 -3.238 1.00 0.00 C ATOM 454 CG2 ILE A 28 10.875 -4.400 -4.290 1.00 0.00 C ATOM 455 CD1 ILE A 28 12.721 -4.621 -1.871 1.00 0.00 C ATOM 0 H ILE A 28 13.690 -1.571 -4.076 1.00 0.00 H new ATOM 0 HA ILE A 28 13.035 -3.612 -5.899 1.00 0.00 H new ATOM 0 HB ILE A 28 11.612 -2.610 -3.398 1.00 0.00 H new ATOM 0 HG12 ILE A 28 13.505 -4.953 -3.829 1.00 0.00 H new ATOM 0 HG13 ILE A 28 13.966 -3.418 -3.121 1.00 0.00 H new ATOM 0 HG21 ILE A 28 10.507 -4.811 -3.350 1.00 0.00 H new ATOM 0 HG22 ILE A 28 10.064 -3.881 -4.801 1.00 0.00 H new ATOM 0 HG23 ILE A 28 11.242 -5.210 -4.921 1.00 0.00 H new ATOM 0 HD11 ILE A 28 13.572 -5.100 -1.386 1.00 0.00 H new ATOM 0 HD12 ILE A 28 12.380 -3.784 -1.261 1.00 0.00 H new ATOM 0 HD13 ILE A 28 11.912 -5.343 -1.981 1.00 0.00 H new ATOM 467 N ALA A 29 11.016 -1.010 -5.838 1.00 0.00 N ATOM 468 CA ALA A 29 9.928 -0.332 -6.530 1.00 0.00 C ATOM 469 C ALA A 29 10.281 -0.100 -7.988 1.00 0.00 C ATOM 470 O ALA A 29 9.411 -0.037 -8.850 1.00 0.00 O ATOM 471 CB ALA A 29 9.603 0.986 -5.849 1.00 0.00 C ATOM 0 H ALA A 29 11.450 -0.455 -5.100 1.00 0.00 H new ATOM 0 HA ALA A 29 9.046 -0.972 -6.487 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.788 1.478 -6.380 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.304 0.799 -4.818 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.484 1.628 -5.860 1.00 0.00 H new ATOM 477 N LYS A 30 11.572 -0.021 -8.261 1.00 0.00 N ATOM 478 CA LYS A 30 12.049 0.199 -9.613 1.00 0.00 C ATOM 479 C LYS A 30 11.902 -1.083 -10.419 1.00 0.00 C ATOM 480 O LYS A 30 11.513 -1.059 -11.590 1.00 0.00 O ATOM 481 CB LYS A 30 13.515 0.622 -9.575 1.00 0.00 C ATOM 482 CG LYS A 30 14.115 0.921 -10.940 1.00 0.00 C ATOM 483 CD LYS A 30 15.624 1.063 -10.853 1.00 0.00 C ATOM 484 CE LYS A 30 16.033 2.210 -9.946 1.00 0.00 C ATOM 485 NZ LYS A 30 17.499 2.237 -9.722 1.00 0.00 N ATOM 0 H LYS A 30 12.309 -0.106 -7.561 1.00 0.00 H new ATOM 0 HA LYS A 30 11.461 0.987 -10.083 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.609 1.508 -8.948 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.097 -0.168 -9.100 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.861 0.121 -11.636 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.682 1.839 -11.338 1.00 0.00 H new ATOM 0 HD2 LYS A 30 16.055 0.134 -10.480 1.00 0.00 H new ATOM 0 HD3 LYS A 30 16.032 1.226 -11.851 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.715 3.154 -10.388 1.00 0.00 H new ATOM 0 HE3 LYS A 30 15.520 2.117 -8.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 17.765 3.137 -9.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 17.770 1.447 -9.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 17.991 2.146 -10.634 1.00 0.00 H new ATOM 499 N GLU A 31 12.195 -2.201 -9.768 1.00 0.00 N ATOM 500 CA GLU A 31 12.086 -3.513 -10.395 1.00 0.00 C ATOM 501 C GLU A 31 10.643 -3.816 -10.797 1.00 0.00 C ATOM 502 O GLU A 31 10.389 -4.377 -11.863 1.00 0.00 O ATOM 503 CB GLU A 31 12.591 -4.605 -9.449 1.00 0.00 C ATOM 504 CG GLU A 31 13.989 -4.351 -8.914 1.00 0.00 C ATOM 505 CD GLU A 31 14.544 -5.536 -8.156 1.00 0.00 C ATOM 506 OE1 GLU A 31 13.882 -6.011 -7.209 1.00 0.00 O ATOM 507 OE2 GLU A 31 15.648 -6.001 -8.507 1.00 0.00 O ATOM 0 H GLU A 31 12.512 -2.226 -8.799 1.00 0.00 H new ATOM 0 HA GLU A 31 12.703 -3.499 -11.293 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.901 -4.694 -8.610 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.580 -5.561 -9.973 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.654 -4.111 -9.744 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.971 -3.481 -8.258 1.00 0.00 H new ATOM 514 N LYS A 32 9.701 -3.438 -9.941 1.00 0.00 N ATOM 515 CA LYS A 32 8.294 -3.772 -10.154 1.00 0.00 C ATOM 516 C LYS A 32 7.536 -2.643 -10.855 1.00 0.00 C ATOM 517 O LYS A 32 6.364 -2.800 -11.202 1.00 0.00 O ATOM 518 CB LYS A 32 7.597 -4.104 -8.822 1.00 0.00 C ATOM 519 CG LYS A 32 7.938 -5.470 -8.225 1.00 0.00 C ATOM 520 CD LYS A 32 9.386 -5.562 -7.765 1.00 0.00 C ATOM 521 CE LYS A 32 9.625 -6.766 -6.866 1.00 0.00 C ATOM 522 NZ LYS A 32 9.304 -8.047 -7.541 1.00 0.00 N ATOM 0 H LYS A 32 9.883 -2.901 -9.093 1.00 0.00 H new ATOM 0 HA LYS A 32 8.277 -4.650 -10.800 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.855 -3.334 -8.095 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.519 -4.051 -8.973 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.279 -5.668 -7.380 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.746 -6.245 -8.967 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.039 -5.625 -8.635 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.655 -4.651 -7.230 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.667 -6.777 -6.548 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.018 -6.670 -5.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.578 -8.841 -6.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.283 -8.093 -7.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.826 -8.107 -8.438 1.00 0.00 H new ATOM 536 N ASN A 33 8.219 -1.514 -11.056 1.00 0.00 N ATOM 537 CA ASN A 33 7.624 -0.318 -11.672 1.00 0.00 C ATOM 538 C ASN A 33 6.468 0.199 -10.813 1.00 0.00 C ATOM 539 O ASN A 33 5.357 0.430 -11.289 1.00 0.00 O ATOM 540 CB ASN A 33 7.158 -0.611 -13.104 1.00 0.00 C ATOM 541 CG ASN A 33 6.904 0.649 -13.914 1.00 0.00 C ATOM 542 OD1 ASN A 33 5.790 1.175 -13.948 1.00 0.00 O ATOM 543 ND2 ASN A 33 7.938 1.139 -14.580 1.00 0.00 N ATOM 0 H ASN A 33 9.199 -1.399 -10.798 1.00 0.00 H new ATOM 0 HA ASN A 33 8.387 0.458 -11.726 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.911 -1.215 -13.609 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.244 -1.204 -13.069 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.828 1.980 -15.146 1.00 0.00 H new ATOM 0 HD22 ASN A 33 8.845 0.675 -14.527 1.00 0.00 H new ATOM 550 N LEU A 34 6.760 0.368 -9.537 1.00 0.00 N ATOM 551 CA LEU A 34 5.786 0.798 -8.543 1.00 0.00 C ATOM 552 C LEU A 34 6.412 1.865 -7.659 1.00 0.00 C ATOM 553 O LEU A 34 7.613 2.107 -7.736 1.00 0.00 O ATOM 554 CB LEU A 34 5.350 -0.386 -7.670 1.00 0.00 C ATOM 555 CG LEU A 34 4.637 -1.521 -8.403 1.00 0.00 C ATOM 556 CD1 LEU A 34 4.392 -2.688 -7.461 1.00 0.00 C ATOM 557 CD2 LEU A 34 3.323 -1.033 -8.988 1.00 0.00 C ATOM 0 H LEU A 34 7.692 0.209 -9.154 1.00 0.00 H new ATOM 0 HA LEU A 34 4.912 1.199 -9.057 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.232 -0.794 -7.176 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.690 -0.013 -6.887 1.00 0.00 H new ATOM 0 HG LEU A 34 5.276 -1.859 -9.219 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.883 -3.489 -7.998 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.345 -3.055 -7.081 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.771 -2.359 -6.628 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.828 -1.854 -9.507 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.680 -0.671 -8.186 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.516 -0.224 -9.692 1.00 0.00 H new ATOM 569 N THR A 35 5.604 2.534 -6.856 1.00 0.00 N ATOM 570 CA THR A 35 6.141 3.396 -5.820 1.00 0.00 C ATOM 571 C THR A 35 5.998 2.701 -4.473 1.00 0.00 C ATOM 572 O THR A 35 5.215 1.757 -4.353 1.00 0.00 O ATOM 573 CB THR A 35 5.428 4.764 -5.763 1.00 0.00 C ATOM 574 OG1 THR A 35 4.062 4.584 -5.371 1.00 0.00 O ATOM 575 CG2 THR A 35 5.483 5.471 -7.112 1.00 0.00 C ATOM 0 H THR A 35 4.586 2.498 -6.900 1.00 0.00 H new ATOM 0 HA THR A 35 7.189 3.582 -6.055 1.00 0.00 H new ATOM 0 HB THR A 35 5.943 5.384 -5.029 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.526 4.342 -6.155 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.973 6.431 -7.040 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.523 5.633 -7.396 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.993 4.855 -7.866 1.00 0.00 H new ATOM 583 N LEU A 36 6.739 3.144 -3.470 1.00 0.00 N ATOM 584 CA LEU A 36 6.648 2.540 -2.143 1.00 0.00 C ATOM 585 C LEU A 36 5.221 2.636 -1.607 1.00 0.00 C ATOM 586 O LEU A 36 4.732 1.713 -0.956 1.00 0.00 O ATOM 587 CB LEU A 36 7.655 3.174 -1.165 1.00 0.00 C ATOM 588 CG LEU A 36 7.466 4.658 -0.821 1.00 0.00 C ATOM 589 CD1 LEU A 36 8.376 5.032 0.335 1.00 0.00 C ATOM 590 CD2 LEU A 36 7.763 5.555 -2.016 1.00 0.00 C ATOM 0 H LEU A 36 7.406 3.912 -3.544 1.00 0.00 H new ATOM 0 HA LEU A 36 6.907 1.485 -2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.625 2.606 -0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.654 3.049 -1.582 1.00 0.00 H new ATOM 0 HG LEU A 36 6.423 4.808 -0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.241 6.086 0.578 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.128 4.424 1.205 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.414 4.855 0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.618 6.598 -1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.794 5.406 -2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.089 5.304 -2.835 1.00 0.00 H new ATOM 602 N SER A 37 4.555 3.742 -1.911 1.00 0.00 N ATOM 603 CA SER A 37 3.150 3.916 -1.573 1.00 0.00 C ATOM 604 C SER A 37 2.302 2.806 -2.192 1.00 0.00 C ATOM 605 O SER A 37 1.429 2.237 -1.534 1.00 0.00 O ATOM 606 CB SER A 37 2.670 5.280 -2.065 1.00 0.00 C ATOM 607 OG SER A 37 3.563 6.305 -1.656 1.00 0.00 O ATOM 0 H SER A 37 4.970 4.538 -2.395 1.00 0.00 H new ATOM 0 HA SER A 37 3.042 3.863 -0.490 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.591 5.273 -3.152 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.673 5.483 -1.674 1.00 0.00 H new ATOM 0 HG SER A 37 3.117 7.175 -1.728 1.00 0.00 H new ATOM 613 N ASP A 38 2.578 2.495 -3.458 1.00 0.00 N ATOM 614 CA ASP A 38 1.867 1.433 -4.164 1.00 0.00 C ATOM 615 C ASP A 38 2.151 0.086 -3.525 1.00 0.00 C ATOM 616 O ASP A 38 1.236 -0.673 -3.226 1.00 0.00 O ATOM 617 CB ASP A 38 2.268 1.379 -5.642 1.00 0.00 C ATOM 618 CG ASP A 38 1.786 2.572 -6.437 1.00 0.00 C ATOM 619 OD1 ASP A 38 0.564 2.812 -6.480 1.00 0.00 O ATOM 620 OD2 ASP A 38 2.628 3.266 -7.048 1.00 0.00 O ATOM 0 H ASP A 38 3.291 2.965 -4.016 1.00 0.00 H new ATOM 0 HA ASP A 38 0.802 1.655 -4.096 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.354 1.318 -5.715 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.867 0.469 -6.087 1.00 0.00 H new ATOM 625 N VAL A 39 3.425 -0.188 -3.292 1.00 0.00 N ATOM 626 CA VAL A 39 3.843 -1.460 -2.718 1.00 0.00 C ATOM 627 C VAL A 39 3.239 -1.649 -1.333 1.00 0.00 C ATOM 628 O VAL A 39 2.879 -2.756 -0.953 1.00 0.00 O ATOM 629 CB VAL A 39 5.384 -1.553 -2.622 1.00 0.00 C ATOM 630 CG1 VAL A 39 5.819 -2.892 -2.041 1.00 0.00 C ATOM 631 CG2 VAL A 39 6.025 -1.335 -3.986 1.00 0.00 C ATOM 0 H VAL A 39 4.191 0.455 -3.492 1.00 0.00 H new ATOM 0 HA VAL A 39 3.485 -2.249 -3.379 1.00 0.00 H new ATOM 0 HB VAL A 39 5.722 -0.764 -1.950 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.907 -2.928 -1.986 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.401 -3.008 -1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.461 -3.699 -2.680 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.109 -1.405 -3.894 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.670 -2.096 -4.681 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.756 -0.348 -4.361 1.00 0.00 H new ATOM 641 N CYS A 40 3.110 -0.557 -0.597 1.00 0.00 N ATOM 642 CA CYS A 40 2.598 -0.607 0.763 1.00 0.00 C ATOM 643 C CYS A 40 1.100 -0.950 0.786 1.00 0.00 C ATOM 644 O CYS A 40 0.682 -1.857 1.502 1.00 0.00 O ATOM 645 CB CYS A 40 2.893 0.727 1.468 1.00 0.00 C ATOM 646 SG CYS A 40 3.219 0.592 3.232 1.00 0.00 S ATOM 0 H CYS A 40 3.354 0.379 -0.920 1.00 0.00 H new ATOM 0 HA CYS A 40 3.104 -1.405 1.306 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.754 1.193 0.988 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.045 1.396 1.320 1.00 0.00 H new ATOM 0 HG CYS A 40 3.455 1.773 3.721 1.00 0.00 H new ATOM 652 N ARG A 41 0.285 -0.215 0.029 1.00 0.00 N ATOM 653 CA ARG A 41 -1.130 -0.542 -0.114 1.00 0.00 C ATOM 654 C ARG A 41 -1.327 -1.956 -0.694 1.00 0.00 C ATOM 655 O ARG A 41 -2.211 -2.699 -0.259 1.00 0.00 O ATOM 656 CB ARG A 41 -1.840 0.530 -0.969 1.00 0.00 C ATOM 657 CG ARG A 41 -1.363 0.639 -2.413 1.00 0.00 C ATOM 658 CD ARG A 41 -2.138 -0.292 -3.340 1.00 0.00 C ATOM 659 NE ARG A 41 -3.538 0.106 -3.477 1.00 0.00 N ATOM 660 CZ ARG A 41 -4.556 -0.753 -3.564 1.00 0.00 C ATOM 661 NH1 ARG A 41 -4.339 -2.065 -3.508 1.00 0.00 N ATOM 662 NH2 ARG A 41 -5.793 -0.299 -3.710 1.00 0.00 N ATOM 0 H ARG A 41 0.582 0.609 -0.493 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.585 -0.543 0.877 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.909 0.317 -0.973 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.709 1.499 -0.487 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.475 1.668 -2.756 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.301 0.400 -2.463 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.666 -0.299 -4.323 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.087 -1.310 -2.955 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.750 1.103 -3.508 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.389 -2.421 -3.398 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.122 -2.715 -3.575 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.966 0.705 -3.756 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.572 -0.954 -3.777 1.00 0.00 H new ATOM 676 N LEU A 42 -0.488 -2.340 -1.651 1.00 0.00 N ATOM 677 CA LEU A 42 -0.556 -3.685 -2.223 1.00 0.00 C ATOM 678 C LEU A 42 -0.171 -4.710 -1.169 1.00 0.00 C ATOM 679 O LEU A 42 -0.656 -5.847 -1.166 1.00 0.00 O ATOM 680 CB LEU A 42 0.372 -3.814 -3.436 1.00 0.00 C ATOM 681 CG LEU A 42 0.022 -2.924 -4.630 1.00 0.00 C ATOM 682 CD1 LEU A 42 1.086 -3.044 -5.712 1.00 0.00 C ATOM 683 CD2 LEU A 42 -1.342 -3.288 -5.190 1.00 0.00 C ATOM 0 H LEU A 42 0.242 -1.747 -2.046 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.579 -3.866 -2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.389 -3.584 -3.119 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.368 -4.853 -3.766 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.012 -1.890 -4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.822 -2.405 -6.554 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.051 -2.734 -5.310 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.148 -4.079 -6.048 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.571 -2.643 -6.038 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.336 -4.328 -5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.100 -3.155 -4.418 1.00 0.00 H new ATOM 695 N ALA A 43 0.681 -4.281 -0.255 1.00 0.00 N ATOM 696 CA ALA A 43 1.117 -5.122 0.835 1.00 0.00 C ATOM 697 C ALA A 43 -0.016 -5.338 1.824 1.00 0.00 C ATOM 698 O ALA A 43 -0.064 -6.354 2.506 1.00 0.00 O ATOM 699 CB ALA A 43 2.319 -4.520 1.531 1.00 0.00 C ATOM 0 H ALA A 43 1.086 -3.345 -0.251 1.00 0.00 H new ATOM 0 HA ALA A 43 1.410 -6.088 0.424 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.630 -5.171 2.348 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.138 -4.416 0.819 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.056 -3.539 1.928 1.00 0.00 H new ATOM 705 N ILE A 44 -0.934 -4.375 1.891 1.00 0.00 N ATOM 706 CA ILE A 44 -2.093 -4.490 2.761 1.00 0.00 C ATOM 707 C ILE A 44 -3.013 -5.579 2.243 1.00 0.00 C ATOM 708 O ILE A 44 -3.572 -6.351 3.018 1.00 0.00 O ATOM 709 CB ILE A 44 -2.873 -3.160 2.884 1.00 0.00 C ATOM 710 CG1 ILE A 44 -2.000 -2.098 3.553 1.00 0.00 C ATOM 711 CG2 ILE A 44 -4.170 -3.360 3.663 1.00 0.00 C ATOM 712 CD1 ILE A 44 -2.729 -0.796 3.830 1.00 0.00 C ATOM 0 H ILE A 44 -0.894 -3.510 1.353 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.730 -4.746 3.757 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.133 -2.818 1.882 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.615 -2.496 4.492 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.139 -1.894 2.916 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.701 -2.411 3.736 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.796 -4.087 3.146 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.941 -3.725 4.664 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.047 -0.091 4.305 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.091 -0.375 2.892 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.574 -0.986 4.492 1.00 0.00 H new ATOM 724 N LYS A 45 -3.162 -5.644 0.927 1.00 0.00 N ATOM 725 CA LYS A 45 -3.947 -6.703 0.314 1.00 0.00 C ATOM 726 C LYS A 45 -3.358 -8.068 0.670 1.00 0.00 C ATOM 727 O LYS A 45 -4.086 -9.013 0.960 1.00 0.00 O ATOM 728 CB LYS A 45 -4.016 -6.525 -1.206 1.00 0.00 C ATOM 729 CG LYS A 45 -4.995 -7.472 -1.889 1.00 0.00 C ATOM 730 CD LYS A 45 -6.391 -7.348 -1.298 1.00 0.00 C ATOM 731 CE LYS A 45 -7.393 -8.247 -2.007 1.00 0.00 C ATOM 732 NZ LYS A 45 -7.020 -9.685 -1.931 1.00 0.00 N ATOM 0 H LYS A 45 -2.753 -4.981 0.269 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.963 -6.647 0.704 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.302 -5.497 -1.430 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.022 -6.678 -1.627 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.030 -7.254 -2.956 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.644 -8.499 -1.784 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.360 -7.604 -0.239 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.722 -6.312 -1.366 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.379 -8.107 -1.564 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.468 -7.949 -3.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.866 -10.271 -2.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.317 -9.900 -2.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.616 -9.890 -0.995 1.00 0.00 H new ATOM 746 N GLU A 46 -2.031 -8.143 0.676 1.00 0.00 N ATOM 747 CA GLU A 46 -1.327 -9.365 1.047 1.00 0.00 C ATOM 748 C GLU A 46 -1.522 -9.625 2.536 1.00 0.00 C ATOM 749 O GLU A 46 -1.695 -10.762 2.978 1.00 0.00 O ATOM 750 CB GLU A 46 0.165 -9.212 0.732 1.00 0.00 C ATOM 751 CG GLU A 46 1.001 -10.457 0.987 1.00 0.00 C ATOM 752 CD GLU A 46 0.874 -11.492 -0.112 1.00 0.00 C ATOM 753 OE1 GLU A 46 1.524 -11.323 -1.163 1.00 0.00 O ATOM 754 OE2 GLU A 46 0.148 -12.490 0.076 1.00 0.00 O ATOM 0 H GLU A 46 -1.418 -7.367 0.426 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.725 -10.206 0.480 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.274 -8.926 -0.314 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.566 -8.393 1.329 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.048 -10.170 1.089 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.699 -10.903 1.935 1.00 0.00 H new ATOM 761 N TYR A 47 -1.521 -8.542 3.295 1.00 0.00 N ATOM 762 CA TYR A 47 -1.673 -8.586 4.738 1.00 0.00 C ATOM 763 C TYR A 47 -3.034 -9.163 5.113 1.00 0.00 C ATOM 764 O TYR A 47 -3.137 -10.026 5.985 1.00 0.00 O ATOM 765 CB TYR A 47 -1.515 -7.168 5.299 1.00 0.00 C ATOM 766 CG TYR A 47 -1.653 -7.045 6.801 1.00 0.00 C ATOM 767 CD1 TYR A 47 -0.557 -7.226 7.633 1.00 0.00 C ATOM 768 CD2 TYR A 47 -2.870 -6.720 7.384 1.00 0.00 C ATOM 769 CE1 TYR A 47 -0.668 -7.090 9.002 1.00 0.00 C ATOM 770 CE2 TYR A 47 -2.993 -6.585 8.754 1.00 0.00 C ATOM 771 CZ TYR A 47 -1.887 -6.770 9.557 1.00 0.00 C ATOM 772 OH TYR A 47 -2.001 -6.631 10.922 1.00 0.00 O ATOM 0 H TYR A 47 -1.414 -7.599 2.922 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.906 -9.232 5.166 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.536 -6.788 5.009 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.259 -6.525 4.829 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.400 -7.478 7.201 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.736 -6.570 6.756 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.196 -7.234 9.634 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -3.948 -6.336 9.193 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.926 -6.403 11.151 1.00 0.00 H new ATOM 782 N LEU A 48 -4.068 -8.694 4.431 1.00 0.00 N ATOM 783 CA LEU A 48 -5.424 -9.158 4.677 1.00 0.00 C ATOM 784 C LEU A 48 -5.563 -10.630 4.309 1.00 0.00 C ATOM 785 O LEU A 48 -6.028 -11.434 5.113 1.00 0.00 O ATOM 786 CB LEU A 48 -6.429 -8.327 3.876 1.00 0.00 C ATOM 787 CG LEU A 48 -6.435 -6.829 4.187 1.00 0.00 C ATOM 788 CD1 LEU A 48 -7.452 -6.107 3.313 1.00 0.00 C ATOM 789 CD2 LEU A 48 -6.726 -6.584 5.662 1.00 0.00 C ATOM 0 H LEU A 48 -3.992 -7.988 3.699 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.634 -9.040 5.740 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.221 -8.460 2.814 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.428 -8.723 4.057 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.445 -6.430 3.966 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.443 -5.043 3.548 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.196 -6.249 2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.446 -6.512 3.502 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.725 -5.512 5.860 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.702 -6.999 5.914 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.959 -7.066 6.269 1.00 0.00 H new ATOM 801 N ASP A 49 -5.126 -10.975 3.104 1.00 0.00 N ATOM 802 CA ASP A 49 -5.262 -12.338 2.586 1.00 0.00 C ATOM 803 C ASP A 49 -4.549 -13.367 3.460 1.00 0.00 C ATOM 804 O ASP A 49 -4.992 -14.508 3.574 1.00 0.00 O ATOM 805 CB ASP A 49 -4.733 -12.414 1.153 1.00 0.00 C ATOM 806 CG ASP A 49 -5.763 -11.982 0.128 1.00 0.00 C ATOM 807 OD1 ASP A 49 -6.349 -10.887 0.284 1.00 0.00 O ATOM 808 OD2 ASP A 49 -5.998 -12.741 -0.836 1.00 0.00 O ATOM 0 H ASP A 49 -4.671 -10.327 2.461 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.325 -12.581 2.599 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.849 -11.783 1.062 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.419 -13.436 0.939 1.00 0.00 H new ATOM 813 N ASN A 50 -3.443 -12.969 4.073 1.00 0.00 N ATOM 814 CA ASN A 50 -2.693 -13.873 4.943 1.00 0.00 C ATOM 815 C ASN A 50 -3.274 -13.912 6.355 1.00 0.00 C ATOM 816 O ASN A 50 -3.043 -14.864 7.101 1.00 0.00 O ATOM 817 CB ASN A 50 -1.210 -13.485 4.993 1.00 0.00 C ATOM 818 CG ASN A 50 -0.449 -13.942 3.758 1.00 0.00 C ATOM 819 OD1 ASN A 50 0.092 -15.052 3.717 1.00 0.00 O ATOM 820 ND2 ASN A 50 -0.402 -13.094 2.747 1.00 0.00 N ATOM 0 H ASN A 50 -3.045 -12.034 3.987 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.780 -14.872 4.516 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.124 -12.403 5.090 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.753 -13.922 5.881 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.094 -13.346 1.892 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.862 -12.187 2.821 1.00 0.00 H new ATOM 827 N HIS A 51 -4.026 -12.884 6.727 1.00 0.00 N ATOM 828 CA HIS A 51 -4.599 -12.807 8.069 1.00 0.00 C ATOM 829 C HIS A 51 -6.026 -13.345 8.099 1.00 0.00 C ATOM 830 O HIS A 51 -6.488 -13.836 9.130 1.00 0.00 O ATOM 831 CB HIS A 51 -4.556 -11.370 8.604 1.00 0.00 C ATOM 832 CG HIS A 51 -3.210 -10.966 9.137 1.00 0.00 C ATOM 833 ND1 HIS A 51 -3.039 -10.365 10.365 1.00 0.00 N ATOM 834 CD2 HIS A 51 -1.969 -11.080 8.603 1.00 0.00 C ATOM 835 CE1 HIS A 51 -1.757 -10.126 10.563 1.00 0.00 C ATOM 836 NE2 HIS A 51 -1.087 -10.550 9.509 1.00 0.00 N ATOM 0 H HIS A 51 -4.254 -12.094 6.123 1.00 0.00 H new ATOM 0 HA HIS A 51 -3.990 -13.435 8.719 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.842 -10.685 7.805 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.298 -11.264 9.396 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -1.721 -11.508 7.643 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -1.329 -9.662 11.439 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -0.076 -10.493 9.388 1.00 0.00 H new ATOM 845 N ASP A 52 -6.708 -13.282 6.964 1.00 0.00 N ATOM 846 CA ASP A 52 -8.084 -13.755 6.865 1.00 0.00 C ATOM 847 C ASP A 52 -8.104 -15.224 6.464 1.00 0.00 C ATOM 848 O ASP A 52 -7.321 -15.656 5.622 1.00 0.00 O ATOM 849 CB ASP A 52 -8.861 -12.918 5.842 1.00 0.00 C ATOM 850 CG ASP A 52 -10.301 -13.370 5.693 1.00 0.00 C ATOM 851 OD1 ASP A 52 -11.127 -13.048 6.570 1.00 0.00 O ATOM 852 OD2 ASP A 52 -10.616 -14.039 4.691 1.00 0.00 O ATOM 0 H ASP A 52 -6.330 -12.906 6.094 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.562 -13.648 7.839 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.842 -11.871 6.145 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.363 -12.979 4.874 1.00 0.00 H new ATOM 857 N LYS A 53 -8.998 -15.989 7.079 1.00 0.00 N ATOM 858 CA LYS A 53 -9.035 -17.433 6.882 1.00 0.00 C ATOM 859 C LYS A 53 -9.856 -17.823 5.657 1.00 0.00 C ATOM 860 O LYS A 53 -9.732 -18.938 5.151 1.00 0.00 O ATOM 861 CB LYS A 53 -9.605 -18.122 8.122 1.00 0.00 C ATOM 862 CG LYS A 53 -8.725 -17.988 9.354 1.00 0.00 C ATOM 863 CD LYS A 53 -9.332 -18.692 10.558 1.00 0.00 C ATOM 864 CE LYS A 53 -8.376 -18.687 11.740 1.00 0.00 C ATOM 865 NZ LYS A 53 -7.155 -19.490 11.464 1.00 0.00 N ATOM 0 H LYS A 53 -9.708 -15.633 7.719 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.009 -17.762 6.716 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.587 -17.703 8.341 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -9.751 -19.180 7.904 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.741 -18.407 9.145 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.580 -16.933 9.585 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.263 -18.200 10.839 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -9.582 -19.720 10.294 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -8.092 -17.661 11.974 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.882 -19.085 12.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -6.662 -19.691 12.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.424 -20.385 11.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.524 -18.956 10.833 1.00 0.00 H new ATOM 879 N GLN A 54 -10.679 -16.905 5.172 1.00 0.00 N ATOM 880 CA GLN A 54 -11.547 -17.184 4.033 1.00 0.00 C ATOM 881 C GLN A 54 -10.843 -16.841 2.725 1.00 0.00 C ATOM 882 O GLN A 54 -11.454 -16.307 1.799 1.00 0.00 O ATOM 883 CB GLN A 54 -12.861 -16.396 4.134 1.00 0.00 C ATOM 884 CG GLN A 54 -13.885 -16.972 5.108 1.00 0.00 C ATOM 885 CD GLN A 54 -13.462 -16.876 6.562 1.00 0.00 C ATOM 886 OE1 GLN A 54 -13.704 -15.870 7.226 1.00 0.00 O ATOM 887 NE2 GLN A 54 -12.849 -17.927 7.076 1.00 0.00 N ATOM 0 H GLN A 54 -10.765 -15.961 5.548 1.00 0.00 H new ATOM 0 HA GLN A 54 -11.777 -18.249 4.046 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -12.632 -15.373 4.434 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -13.313 -16.344 3.144 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -14.832 -16.448 4.979 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -14.063 -18.018 4.858 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -12.665 -18.745 6.495 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -12.560 -17.921 8.054 1.00 0.00 H new ATOM 896 N LYS A 55 -9.552 -17.136 2.657 1.00 0.00 N ATOM 897 CA LYS A 55 -8.772 -16.860 1.460 1.00 0.00 C ATOM 898 C LYS A 55 -8.038 -18.112 0.995 1.00 0.00 C ATOM 899 O LYS A 55 -8.521 -18.821 0.115 1.00 0.00 O ATOM 900 CB LYS A 55 -7.781 -15.717 1.713 1.00 0.00 C ATOM 901 CG LYS A 55 -8.452 -14.399 2.071 1.00 0.00 C ATOM 902 CD LYS A 55 -9.266 -13.854 0.907 1.00 0.00 C ATOM 903 CE LYS A 55 -10.205 -12.743 1.349 1.00 0.00 C ATOM 904 NZ LYS A 55 -11.296 -13.256 2.221 1.00 0.00 N ATOM 0 H LYS A 55 -9.024 -17.566 3.416 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.457 -16.552 0.670 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.107 -16.003 2.520 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.169 -15.574 0.822 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.101 -14.543 2.935 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.694 -13.670 2.359 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.593 -13.477 0.137 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.844 -14.661 0.457 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.639 -11.981 1.885 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.637 -12.262 0.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.156 -12.690 2.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.490 -14.250 1.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.006 -13.187 3.217 1.00 0.00 H new ATOM 918 N LYS A 56 -6.893 -18.386 1.618 1.00 0.00 N ATOM 919 CA LYS A 56 -6.064 -19.547 1.288 1.00 0.00 C ATOM 920 C LYS A 56 -5.714 -19.580 -0.199 1.00 0.00 C ATOM 921 O LYS A 56 -4.757 -18.882 -0.601 1.00 0.00 O ATOM 922 CB LYS A 56 -6.747 -20.857 1.702 1.00 0.00 C ATOM 923 CG LYS A 56 -7.045 -20.948 3.191 1.00 0.00 C ATOM 924 CD LYS A 56 -7.508 -22.339 3.584 1.00 0.00 C ATOM 925 CE LYS A 56 -7.946 -22.391 5.039 1.00 0.00 C ATOM 926 NZ LYS A 56 -9.189 -21.608 5.270 1.00 0.00 N ATOM 927 OXT LYS A 56 -6.387 -20.309 -0.960 1.00 0.00 O ATOM 0 H LYS A 56 -6.512 -17.809 2.368 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.138 -19.449 1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -7.679 -20.961 1.147 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.110 -21.694 1.416 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.151 -20.688 3.758 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.813 -20.220 3.454 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.336 -22.643 2.943 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.700 -23.052 3.421 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.110 -23.428 5.332 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.149 -22.003 5.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.568 -21.828 6.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.975 -20.592 5.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.895 -21.855 4.547 1.00 0.00 H new TER 941 LYS A 56 ATOM 942 N GLY B 2 15.083 20.997 11.722 1.00 0.00 N ATOM 943 CA GLY B 2 16.421 20.514 12.141 1.00 0.00 C ATOM 944 C GLY B 2 16.983 19.494 11.176 1.00 0.00 C ATOM 945 O GLY B 2 16.287 18.560 10.776 1.00 0.00 O ATOM 0 HA2 GLY B 2 17.105 21.359 12.214 1.00 0.00 H new ATOM 0 HA3 GLY B 2 16.352 20.073 13.135 1.00 0.00 H new ATOM 951 N ARG B 3 18.233 19.680 10.783 1.00 0.00 N ATOM 952 CA ARG B 3 18.891 18.767 9.856 1.00 0.00 C ATOM 953 C ARG B 3 20.221 18.281 10.419 1.00 0.00 C ATOM 954 O ARG B 3 21.260 18.895 10.177 1.00 0.00 O ATOM 955 CB ARG B 3 19.142 19.450 8.510 1.00 0.00 C ATOM 956 CG ARG B 3 17.891 19.747 7.703 1.00 0.00 C ATOM 957 CD ARG B 3 18.258 20.374 6.368 1.00 0.00 C ATOM 958 NE ARG B 3 19.213 19.541 5.634 1.00 0.00 N ATOM 959 CZ ARG B 3 20.124 20.000 4.774 1.00 0.00 C ATOM 960 NH1 ARG B 3 20.197 21.295 4.471 1.00 0.00 N ATOM 961 NH2 ARG B 3 20.969 19.147 4.214 1.00 0.00 N ATOM 0 H ARG B 3 18.816 20.458 11.092 1.00 0.00 H new ATOM 0 HA ARG B 3 18.228 17.914 9.714 1.00 0.00 H new ATOM 0 HB2 ARG B 3 19.674 20.385 8.687 1.00 0.00 H new ATOM 0 HB3 ARG B 3 19.800 18.817 7.914 1.00 0.00 H new ATOM 0 HG2 ARG B 3 17.330 18.827 7.538 1.00 0.00 H new ATOM 0 HG3 ARG B 3 17.241 20.421 8.262 1.00 0.00 H new ATOM 0 HD2 ARG B 3 17.358 20.513 5.769 1.00 0.00 H new ATOM 0 HD3 ARG B 3 18.686 21.363 6.533 1.00 0.00 H new ATOM 0 HE ARG B 3 19.179 18.534 5.792 1.00 0.00 H new ATOM 0 HH11 ARG B 3 19.549 21.956 4.899 1.00 0.00 H new ATOM 0 HH12 ARG B 3 20.901 21.625 3.811 1.00 0.00 H new ATOM 0 HH21 ARG B 3 20.918 18.154 4.442 1.00 0.00 H new ATOM 0 HH22 ARG B 3 21.671 19.483 3.555 1.00 0.00 H new ATOM 975 N PRO B 4 20.215 17.177 11.180 1.00 0.00 N ATOM 976 CA PRO B 4 21.443 16.594 11.731 1.00 0.00 C ATOM 977 C PRO B 4 22.326 16.007 10.631 1.00 0.00 C ATOM 978 O PRO B 4 23.458 16.441 10.421 1.00 0.00 O ATOM 979 CB PRO B 4 20.936 15.486 12.670 1.00 0.00 C ATOM 980 CG PRO B 4 19.474 15.738 12.834 1.00 0.00 C ATOM 981 CD PRO B 4 19.024 16.413 11.572 1.00 0.00 C ATOM 0 HA PRO B 4 22.060 17.335 12.239 1.00 0.00 H new ATOM 0 HB2 PRO B 4 21.119 14.499 12.246 1.00 0.00 H new ATOM 0 HB3 PRO B 4 21.450 15.520 13.631 1.00 0.00 H new ATOM 0 HG2 PRO B 4 18.933 14.805 12.991 1.00 0.00 H new ATOM 0 HG3 PRO B 4 19.282 16.368 13.703 1.00 0.00 H new ATOM 0 HD2 PRO B 4 18.734 15.692 10.807 1.00 0.00 H new ATOM 0 HD3 PRO B 4 18.164 17.061 11.742 1.00 0.00 H new ATOM 989 N TYR B 5 21.787 15.019 9.932 1.00 0.00 N ATOM 990 CA TYR B 5 22.454 14.411 8.788 1.00 0.00 C ATOM 991 C TYR B 5 21.397 13.864 7.832 1.00 0.00 C ATOM 992 O TYR B 5 21.245 14.351 6.712 1.00 0.00 O ATOM 993 CB TYR B 5 23.454 13.317 9.228 1.00 0.00 C ATOM 994 CG TYR B 5 22.930 12.321 10.250 1.00 0.00 C ATOM 995 CD1 TYR B 5 22.851 12.658 11.595 1.00 0.00 C ATOM 996 CD2 TYR B 5 22.526 11.044 9.872 1.00 0.00 C ATOM 997 CE1 TYR B 5 22.382 11.759 12.530 1.00 0.00 C ATOM 998 CE2 TYR B 5 22.054 10.138 10.803 1.00 0.00 C ATOM 999 CZ TYR B 5 21.983 10.502 12.132 1.00 0.00 C ATOM 1000 OH TYR B 5 21.508 9.609 13.068 1.00 0.00 O ATOM 0 H TYR B 5 20.874 14.615 10.141 1.00 0.00 H new ATOM 0 HA TYR B 5 23.042 15.169 8.270 1.00 0.00 H new ATOM 0 HB2 TYR B 5 23.776 12.767 8.344 1.00 0.00 H new ATOM 0 HB3 TYR B 5 24.338 13.803 9.641 1.00 0.00 H new ATOM 0 HD1 TYR B 5 23.162 13.642 11.914 1.00 0.00 H new ATOM 0 HD2 TYR B 5 22.582 10.756 8.833 1.00 0.00 H new ATOM 0 HE1 TYR B 5 22.328 12.040 13.571 1.00 0.00 H new ATOM 0 HE2 TYR B 5 21.743 9.152 10.492 1.00 0.00 H new ATOM 0 HH TYR B 5 21.077 10.099 13.799 1.00 0.00 H new ATOM 1010 N LYS B 6 20.660 12.868 8.295 1.00 0.00 N ATOM 1011 CA LYS B 6 19.480 12.391 7.599 1.00 0.00 C ATOM 1012 C LYS B 6 18.250 12.983 8.266 1.00 0.00 C ATOM 1013 O LYS B 6 18.363 13.713 9.253 1.00 0.00 O ATOM 1014 CB LYS B 6 19.396 10.860 7.631 1.00 0.00 C ATOM 1015 CG LYS B 6 20.553 10.152 6.944 1.00 0.00 C ATOM 1016 CD LYS B 6 20.610 10.450 5.453 1.00 0.00 C ATOM 1017 CE LYS B 6 19.399 9.894 4.717 1.00 0.00 C ATOM 1018 NZ LYS B 6 19.521 10.063 3.245 1.00 0.00 N ATOM 0 H LYS B 6 20.863 12.370 9.161 1.00 0.00 H new ATOM 0 HA LYS B 6 19.537 12.702 6.556 1.00 0.00 H new ATOM 0 HB2 LYS B 6 19.351 10.533 8.670 1.00 0.00 H new ATOM 0 HB3 LYS B 6 18.464 10.550 7.158 1.00 0.00 H new ATOM 0 HG2 LYS B 6 21.490 10.457 7.409 1.00 0.00 H new ATOM 0 HG3 LYS B 6 20.458 9.077 7.094 1.00 0.00 H new ATOM 0 HD2 LYS B 6 20.665 11.528 5.300 1.00 0.00 H new ATOM 0 HD3 LYS B 6 21.519 10.022 5.032 1.00 0.00 H new ATOM 0 HE2 LYS B 6 19.285 8.836 4.953 1.00 0.00 H new ATOM 0 HE3 LYS B 6 18.498 10.398 5.067 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 18.677 9.672 2.780 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 19.605 11.074 3.017 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 20.367 9.561 2.907 1.00 0.00 H new ATOM 1032 N LEU B 7 17.087 12.653 7.744 1.00 0.00 N ATOM 1033 CA LEU B 7 15.840 13.161 8.298 1.00 0.00 C ATOM 1034 C LEU B 7 15.262 12.182 9.311 1.00 0.00 C ATOM 1035 O LEU B 7 14.483 11.300 8.953 1.00 0.00 O ATOM 1036 CB LEU B 7 14.823 13.429 7.184 1.00 0.00 C ATOM 1037 CG LEU B 7 15.230 14.500 6.171 1.00 0.00 C ATOM 1038 CD1 LEU B 7 14.159 14.654 5.107 1.00 0.00 C ATOM 1039 CD2 LEU B 7 15.483 15.833 6.865 1.00 0.00 C ATOM 0 H LEU B 7 16.974 12.037 6.939 1.00 0.00 H new ATOM 0 HA LEU B 7 16.055 14.101 8.807 1.00 0.00 H new ATOM 0 HB2 LEU B 7 14.641 12.497 6.649 1.00 0.00 H new ATOM 0 HB3 LEU B 7 13.878 13.724 7.640 1.00 0.00 H new ATOM 0 HG LEU B 7 16.156 14.183 5.692 1.00 0.00 H new ATOM 0 HD11 LEU B 7 14.463 15.420 4.393 1.00 0.00 H new ATOM 0 HD12 LEU B 7 14.024 13.706 4.587 1.00 0.00 H new ATOM 0 HD13 LEU B 7 13.220 14.947 5.576 1.00 0.00 H new ATOM 0 HD21 LEU B 7 15.771 16.580 6.125 1.00 0.00 H new ATOM 0 HD22 LEU B 7 14.575 16.157 7.373 1.00 0.00 H new ATOM 0 HD23 LEU B 7 16.285 15.717 7.594 1.00 0.00 H new ATOM 1051 N LEU B 8 15.699 12.319 10.568 1.00 0.00 N ATOM 1052 CA LEU B 8 15.159 11.542 11.693 1.00 0.00 C ATOM 1053 C LEU B 8 15.394 10.043 11.534 1.00 0.00 C ATOM 1054 O LEU B 8 14.880 9.244 12.319 1.00 0.00 O ATOM 1055 CB LEU B 8 13.654 11.798 11.842 1.00 0.00 C ATOM 1056 CG LEU B 8 13.261 13.244 12.140 1.00 0.00 C ATOM 1057 CD1 LEU B 8 11.759 13.424 12.006 1.00 0.00 C ATOM 1058 CD2 LEU B 8 13.721 13.638 13.534 1.00 0.00 C ATOM 0 H LEU B 8 16.437 12.971 10.835 1.00 0.00 H new ATOM 0 HA LEU B 8 15.690 11.874 12.585 1.00 0.00 H new ATOM 0 HB2 LEU B 8 13.157 11.486 10.923 1.00 0.00 H new ATOM 0 HB3 LEU B 8 13.272 11.163 12.642 1.00 0.00 H new ATOM 0 HG LEU B 8 13.752 13.894 11.415 1.00 0.00 H new ATOM 0 HD11 LEU B 8 11.496 14.460 12.222 1.00 0.00 H new ATOM 0 HD12 LEU B 8 11.452 13.176 10.990 1.00 0.00 H new ATOM 0 HD13 LEU B 8 11.249 12.766 12.710 1.00 0.00 H new ATOM 0 HD21 LEU B 8 13.435 14.671 13.733 1.00 0.00 H new ATOM 0 HD22 LEU B 8 13.254 12.983 14.270 1.00 0.00 H new ATOM 0 HD23 LEU B 8 14.805 13.543 13.600 1.00 0.00 H new ATOM 1070 N ASN B 9 16.176 9.669 10.523 1.00 0.00 N ATOM 1071 CA ASN B 9 16.367 8.266 10.159 1.00 0.00 C ATOM 1072 C ASN B 9 15.023 7.618 9.853 1.00 0.00 C ATOM 1073 O ASN B 9 14.838 6.418 10.051 1.00 0.00 O ATOM 1074 CB ASN B 9 17.099 7.495 11.264 1.00 0.00 C ATOM 1075 CG ASN B 9 18.535 7.945 11.428 1.00 0.00 C ATOM 1076 OD1 ASN B 9 19.184 8.356 10.466 1.00 0.00 O ATOM 1077 ND2 ASN B 9 19.040 7.880 12.646 1.00 0.00 N ATOM 0 H ASN B 9 16.692 10.325 9.936 1.00 0.00 H new ATOM 0 HA ASN B 9 16.990 8.229 9.265 1.00 0.00 H new ATOM 0 HB2 ASN B 9 16.570 7.628 12.208 1.00 0.00 H new ATOM 0 HB3 ASN B 9 17.079 6.430 11.034 1.00 0.00 H new ATOM 0 HD21 ASN B 9 20.001 8.177 12.816 1.00 0.00 H new ATOM 0 HD22 ASN B 9 18.469 7.533 13.417 1.00 0.00 H new ATOM 1084 N GLY B 10 14.101 8.431 9.348 1.00 0.00 N ATOM 1085 CA GLY B 10 12.768 7.973 9.013 1.00 0.00 C ATOM 1086 C GLY B 10 12.098 8.945 8.066 1.00 0.00 C ATOM 1087 O GLY B 10 11.900 10.110 8.403 1.00 0.00 O ATOM 0 H GLY B 10 14.261 9.421 9.162 1.00 0.00 H new ATOM 0 HA2 GLY B 10 12.821 6.986 8.554 1.00 0.00 H new ATOM 0 HA3 GLY B 10 12.173 7.871 9.921 1.00 0.00 H new ATOM 1091 N ILE B 11 11.741 8.468 6.886 1.00 0.00 N ATOM 1092 CA ILE B 11 11.367 9.355 5.793 1.00 0.00 C ATOM 1093 C ILE B 11 9.869 9.253 5.520 1.00 0.00 C ATOM 1094 O ILE B 11 9.244 8.228 5.823 1.00 0.00 O ATOM 1095 CB ILE B 11 12.174 9.016 4.512 1.00 0.00 C ATOM 1096 CG1 ILE B 11 13.643 8.735 4.854 1.00 0.00 C ATOM 1097 CG2 ILE B 11 12.087 10.143 3.492 1.00 0.00 C ATOM 1098 CD1 ILE B 11 14.362 9.907 5.492 1.00 0.00 C ATOM 0 H ILE B 11 11.702 7.474 6.658 1.00 0.00 H new ATOM 0 HA ILE B 11 11.601 10.379 6.084 1.00 0.00 H new ATOM 0 HB ILE B 11 11.735 8.120 4.074 1.00 0.00 H new ATOM 0 HG12 ILE B 11 13.691 7.881 5.529 1.00 0.00 H new ATOM 0 HG13 ILE B 11 14.170 8.451 3.943 1.00 0.00 H new ATOM 0 HG21 ILE B 11 12.662 9.876 2.605 1.00 0.00 H new ATOM 0 HG22 ILE B 11 11.045 10.303 3.214 1.00 0.00 H new ATOM 0 HG23 ILE B 11 12.491 11.058 3.925 1.00 0.00 H new ATOM 0 HD11 ILE B 11 15.395 9.629 5.703 1.00 0.00 H new ATOM 0 HD12 ILE B 11 14.348 10.757 4.810 1.00 0.00 H new ATOM 0 HD13 ILE B 11 13.862 10.178 6.422 1.00 0.00 H new ATOM 1110 N LYS B 12 9.310 10.288 4.897 1.00 0.00 N ATOM 1111 CA LYS B 12 7.865 10.433 4.773 1.00 0.00 C ATOM 1112 C LYS B 12 7.406 9.971 3.400 1.00 0.00 C ATOM 1113 O LYS B 12 7.977 10.347 2.377 1.00 0.00 O ATOM 1114 CB LYS B 12 7.485 11.911 5.002 1.00 0.00 C ATOM 1115 CG LYS B 12 5.992 12.184 5.180 1.00 0.00 C ATOM 1116 CD LYS B 12 5.243 12.227 3.856 1.00 0.00 C ATOM 1117 CE LYS B 12 3.810 12.699 4.045 1.00 0.00 C ATOM 1118 NZ LYS B 12 3.739 14.131 4.447 1.00 0.00 N ATOM 0 H LYS B 12 9.843 11.044 4.467 1.00 0.00 H new ATOM 0 HA LYS B 12 7.370 9.814 5.521 1.00 0.00 H new ATOM 0 HB2 LYS B 12 8.011 12.271 5.886 1.00 0.00 H new ATOM 0 HB3 LYS B 12 7.846 12.496 4.156 1.00 0.00 H new ATOM 0 HG2 LYS B 12 5.558 11.411 5.814 1.00 0.00 H new ATOM 0 HG3 LYS B 12 5.859 13.133 5.699 1.00 0.00 H new ATOM 0 HD2 LYS B 12 5.759 12.894 3.166 1.00 0.00 H new ATOM 0 HD3 LYS B 12 5.245 11.236 3.403 1.00 0.00 H new ATOM 0 HE2 LYS B 12 3.257 12.556 3.117 1.00 0.00 H new ATOM 0 HE3 LYS B 12 3.324 12.086 4.804 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 2.767 14.480 4.320 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 4.012 14.225 5.446 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 4.388 14.690 3.857 1.00 0.00 H new ATOM 1132 N LEU B 13 6.382 9.137 3.392 1.00 0.00 N ATOM 1133 CA LEU B 13 5.829 8.613 2.160 1.00 0.00 C ATOM 1134 C LEU B 13 4.324 8.788 2.150 1.00 0.00 C ATOM 1135 O LEU B 13 3.659 8.587 3.163 1.00 0.00 O ATOM 1136 CB LEU B 13 6.194 7.135 1.971 1.00 0.00 C ATOM 1137 CG LEU B 13 5.912 6.215 3.166 1.00 0.00 C ATOM 1138 CD1 LEU B 13 5.767 4.774 2.706 1.00 0.00 C ATOM 1139 CD2 LEU B 13 7.028 6.318 4.200 1.00 0.00 C ATOM 0 H LEU B 13 5.914 8.806 4.236 1.00 0.00 H new ATOM 0 HA LEU B 13 6.259 9.173 1.330 1.00 0.00 H new ATOM 0 HB2 LEU B 13 5.648 6.754 1.108 1.00 0.00 H new ATOM 0 HB3 LEU B 13 7.255 7.071 1.731 1.00 0.00 H new ATOM 0 HG LEU B 13 4.977 6.535 3.626 1.00 0.00 H new ATOM 0 HD11 LEU B 13 5.567 4.136 3.567 1.00 0.00 H new ATOM 0 HD12 LEU B 13 4.941 4.699 1.999 1.00 0.00 H new ATOM 0 HD13 LEU B 13 6.689 4.452 2.222 1.00 0.00 H new ATOM 0 HD21 LEU B 13 6.809 5.658 5.039 1.00 0.00 H new ATOM 0 HD22 LEU B 13 7.974 6.024 3.745 1.00 0.00 H new ATOM 0 HD23 LEU B 13 7.100 7.346 4.556 1.00 0.00 H new ATOM 1151 N GLY B 14 3.790 9.182 1.012 1.00 0.00 N ATOM 1152 CA GLY B 14 2.366 9.364 0.901 1.00 0.00 C ATOM 1153 C GLY B 14 1.708 8.226 0.157 1.00 0.00 C ATOM 1154 O GLY B 14 1.921 8.054 -1.043 1.00 0.00 O ATOM 0 H GLY B 14 4.318 9.379 0.162 1.00 0.00 H new ATOM 0 HA2 GLY B 14 1.932 9.445 1.897 1.00 0.00 H new ATOM 0 HA3 GLY B 14 2.159 10.302 0.386 1.00 0.00 H new ATOM 1158 N VAL B 15 0.914 7.443 0.865 1.00 0.00 N ATOM 1159 CA VAL B 15 0.223 6.319 0.258 1.00 0.00 C ATOM 1160 C VAL B 15 -1.246 6.676 0.060 1.00 0.00 C ATOM 1161 O VAL B 15 -1.835 7.387 0.876 1.00 0.00 O ATOM 1162 CB VAL B 15 0.357 5.031 1.116 1.00 0.00 C ATOM 1163 CG1 VAL B 15 -0.310 3.845 0.434 1.00 0.00 C ATOM 1164 CG2 VAL B 15 1.823 4.730 1.402 1.00 0.00 C ATOM 0 H VAL B 15 0.731 7.565 1.861 1.00 0.00 H new ATOM 0 HA VAL B 15 0.684 6.113 -0.708 1.00 0.00 H new ATOM 0 HB VAL B 15 -0.153 5.203 2.064 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -0.200 2.958 1.058 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -1.369 4.057 0.288 1.00 0.00 H new ATOM 0 HG13 VAL B 15 0.161 3.669 -0.533 1.00 0.00 H new ATOM 0 HG21 VAL B 15 1.898 3.824 2.004 1.00 0.00 H new ATOM 0 HG22 VAL B 15 2.355 4.585 0.462 1.00 0.00 H new ATOM 0 HG23 VAL B 15 2.267 5.564 1.945 1.00 0.00 H new ATOM 1174 N TYR B 16 -1.816 6.233 -1.048 1.00 0.00 N ATOM 1175 CA TYR B 16 -3.210 6.511 -1.355 1.00 0.00 C ATOM 1176 C TYR B 16 -3.997 5.216 -1.363 1.00 0.00 C ATOM 1177 O TYR B 16 -3.646 4.285 -2.090 1.00 0.00 O ATOM 1178 CB TYR B 16 -3.328 7.169 -2.721 1.00 0.00 C ATOM 1179 CG TYR B 16 -4.674 7.805 -2.973 1.00 0.00 C ATOM 1180 CD1 TYR B 16 -5.436 8.285 -1.923 1.00 0.00 C ATOM 1181 CD2 TYR B 16 -5.178 7.928 -4.258 1.00 0.00 C ATOM 1182 CE1 TYR B 16 -6.663 8.867 -2.138 1.00 0.00 C ATOM 1183 CE2 TYR B 16 -6.409 8.510 -4.485 1.00 0.00 C ATOM 1184 CZ TYR B 16 -7.149 8.979 -3.421 1.00 0.00 C ATOM 1185 OH TYR B 16 -8.375 9.569 -3.641 1.00 0.00 O ATOM 0 H TYR B 16 -1.333 5.677 -1.753 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.607 7.184 -0.595 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -2.553 7.929 -2.817 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.139 6.422 -3.492 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -5.060 8.201 -0.914 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -4.599 7.563 -5.094 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -7.243 9.235 -1.304 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -6.790 8.597 -5.492 1.00 0.00 H new ATOM 0 HH TYR B 16 -8.570 9.570 -4.601 1.00 0.00 H new ATOM 1195 N ILE B 17 -5.051 5.140 -0.563 1.00 0.00 N ATOM 1196 CA ILE B 17 -5.815 3.906 -0.463 1.00 0.00 C ATOM 1197 C ILE B 17 -7.322 4.172 -0.383 1.00 0.00 C ATOM 1198 O ILE B 17 -7.758 5.223 0.098 1.00 0.00 O ATOM 1199 CB ILE B 17 -5.364 3.054 0.748 1.00 0.00 C ATOM 1200 CG1 ILE B 17 -5.840 3.647 2.072 1.00 0.00 C ATOM 1201 CG2 ILE B 17 -3.848 2.898 0.765 1.00 0.00 C ATOM 1202 CD1 ILE B 17 -5.455 2.796 3.264 1.00 0.00 C ATOM 0 H ILE B 17 -5.392 5.906 0.018 1.00 0.00 H new ATOM 0 HA ILE B 17 -5.616 3.344 -1.376 1.00 0.00 H new ATOM 0 HB ILE B 17 -5.824 2.072 0.635 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -5.418 4.645 2.191 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -6.924 3.760 2.046 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -3.554 2.296 1.625 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.523 2.406 -0.151 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -3.382 3.881 0.834 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -5.819 3.265 4.178 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -5.899 1.806 3.163 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -4.370 2.704 3.310 1.00 0.00 H new ATOM 1214 N PRO B 18 -8.124 3.208 -0.871 1.00 0.00 N ATOM 1215 CA PRO B 18 -9.591 3.315 -0.925 1.00 0.00 C ATOM 1216 C PRO B 18 -10.229 3.453 0.457 1.00 0.00 C ATOM 1217 O PRO B 18 -9.637 3.098 1.481 1.00 0.00 O ATOM 1218 CB PRO B 18 -10.032 1.993 -1.567 1.00 0.00 C ATOM 1219 CG PRO B 18 -8.817 1.449 -2.233 1.00 0.00 C ATOM 1220 CD PRO B 18 -7.649 1.927 -1.424 1.00 0.00 C ATOM 0 HA PRO B 18 -9.898 4.204 -1.475 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -10.412 1.300 -0.816 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -10.835 2.155 -2.286 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -8.847 0.360 -2.268 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -8.747 1.800 -3.263 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -7.389 1.220 -0.636 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -6.760 2.059 -2.040 1.00 0.00 H new ATOM 1228 N GLN B 19 -11.457 3.964 0.478 1.00 0.00 N ATOM 1229 CA GLN B 19 -12.183 4.164 1.728 1.00 0.00 C ATOM 1230 C GLN B 19 -12.653 2.832 2.296 1.00 0.00 C ATOM 1231 O GLN B 19 -12.955 2.740 3.484 1.00 0.00 O ATOM 1232 CB GLN B 19 -13.378 5.105 1.537 1.00 0.00 C ATOM 1233 CG GLN B 19 -14.509 4.509 0.711 1.00 0.00 C ATOM 1234 CD GLN B 19 -15.833 4.487 1.456 1.00 0.00 C ATOM 1235 OE1 GLN B 19 -16.899 4.626 0.856 1.00 0.00 O ATOM 1236 NE2 GLN B 19 -15.779 4.279 2.766 1.00 0.00 N ATOM 0 H GLN B 19 -11.970 4.247 -0.357 1.00 0.00 H new ATOM 0 HA GLN B 19 -11.496 4.627 2.436 1.00 0.00 H new ATOM 0 HB2 GLN B 19 -13.766 5.386 2.516 1.00 0.00 H new ATOM 0 HB3 GLN B 19 -13.033 6.020 1.056 1.00 0.00 H new ATOM 0 HG2 GLN B 19 -14.624 5.084 -0.208 1.00 0.00 H new ATOM 0 HG3 GLN B 19 -14.244 3.493 0.420 1.00 0.00 H new ATOM 0 HE21 GLN B 19 -14.876 4.169 3.228 1.00 0.00 H new ATOM 0 HE22 GLN B 19 -16.640 4.230 3.310 1.00 0.00 H new ATOM 1245 N GLU B 20 -12.722 1.810 1.438 1.00 0.00 N ATOM 1246 CA GLU B 20 -13.009 0.446 1.882 1.00 0.00 C ATOM 1247 C GLU B 20 -11.963 0.012 2.901 1.00 0.00 C ATOM 1248 O GLU B 20 -12.253 -0.705 3.863 1.00 0.00 O ATOM 1249 CB GLU B 20 -12.999 -0.523 0.696 1.00 0.00 C ATOM 1250 CG GLU B 20 -14.012 -0.189 -0.389 1.00 0.00 C ATOM 1251 CD GLU B 20 -13.999 -1.194 -1.523 1.00 0.00 C ATOM 1252 OE1 GLU B 20 -13.214 -1.010 -2.478 1.00 0.00 O ATOM 1253 OE2 GLU B 20 -14.770 -2.175 -1.464 1.00 0.00 O ATOM 0 H GLU B 20 -12.583 1.903 0.432 1.00 0.00 H new ATOM 0 HA GLU B 20 -13.999 0.429 2.337 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -12.002 -0.532 0.256 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -13.195 -1.531 1.063 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -15.010 -0.152 0.049 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -13.801 0.804 -0.785 1.00 0.00 H new ATOM 1260 N TRP B 21 -10.749 0.504 2.697 1.00 0.00 N ATOM 1261 CA TRP B 21 -9.640 0.202 3.579 1.00 0.00 C ATOM 1262 C TRP B 21 -9.713 1.077 4.813 1.00 0.00 C ATOM 1263 O TRP B 21 -9.479 0.618 5.916 1.00 0.00 O ATOM 1264 CB TRP B 21 -8.313 0.465 2.879 1.00 0.00 C ATOM 1265 CG TRP B 21 -7.927 -0.533 1.833 1.00 0.00 C ATOM 1266 CD1 TRP B 21 -8.704 -1.479 1.223 1.00 0.00 C ATOM 1267 CD2 TRP B 21 -6.628 -0.660 1.275 1.00 0.00 C ATOM 1268 NE1 TRP B 21 -7.947 -2.186 0.315 1.00 0.00 N ATOM 1269 CE2 TRP B 21 -6.664 -1.697 0.333 1.00 0.00 C ATOM 1270 CE3 TRP B 21 -5.434 0.013 1.491 1.00 0.00 C ATOM 1271 CZ2 TRP B 21 -5.532 -2.070 -0.394 1.00 0.00 C ATOM 1272 CZ3 TRP B 21 -4.326 -0.351 0.779 1.00 0.00 C ATOM 1273 CH2 TRP B 21 -4.373 -1.377 -0.152 1.00 0.00 C ATOM 0 H TRP B 21 -10.510 1.119 1.919 1.00 0.00 H new ATOM 0 HA TRP B 21 -9.703 -0.850 3.857 1.00 0.00 H new ATOM 0 HB2 TRP B 21 -8.355 1.451 2.417 1.00 0.00 H new ATOM 0 HB3 TRP B 21 -7.526 0.499 3.632 1.00 0.00 H new ATOM 0 HD1 TRP B 21 -9.752 -1.646 1.423 1.00 0.00 H new ATOM 0 HE1 TRP B 21 -8.284 -2.948 -0.274 1.00 0.00 H new ATOM 0 HE3 TRP B 21 -5.381 0.815 2.213 1.00 0.00 H new ATOM 0 HZ2 TRP B 21 -5.567 -2.871 -1.117 1.00 0.00 H new ATOM 0 HZ3 TRP B 21 -3.395 0.171 0.945 1.00 0.00 H new ATOM 0 HH2 TRP B 21 -3.478 -1.636 -0.698 1.00 0.00 H new ATOM 1284 N HIS B 22 -10.041 2.346 4.618 1.00 0.00 N ATOM 1285 CA HIS B 22 -10.188 3.263 5.743 1.00 0.00 C ATOM 1286 C HIS B 22 -11.223 2.741 6.728 1.00 0.00 C ATOM 1287 O HIS B 22 -11.013 2.777 7.934 1.00 0.00 O ATOM 1288 CB HIS B 22 -10.566 4.668 5.268 1.00 0.00 C ATOM 1289 CG HIS B 22 -9.390 5.467 4.794 1.00 0.00 C ATOM 1290 ND1 HIS B 22 -8.927 6.587 5.449 1.00 0.00 N ATOM 1291 CD2 HIS B 22 -8.567 5.290 3.732 1.00 0.00 C ATOM 1292 CE1 HIS B 22 -7.874 7.062 4.817 1.00 0.00 C ATOM 1293 NE2 HIS B 22 -7.632 6.294 3.768 1.00 0.00 N ATOM 0 H HIS B 22 -10.209 2.763 3.702 1.00 0.00 H new ATOM 0 HA HIS B 22 -9.225 3.326 6.249 1.00 0.00 H new ATOM 0 HB2 HIS B 22 -11.292 4.588 4.459 1.00 0.00 H new ATOM 0 HB3 HIS B 22 -11.054 5.201 6.084 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -8.634 4.504 2.994 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -7.304 7.932 5.107 1.00 0.00 H new ATOM 0 HE2 HIS B 22 -6.876 6.426 3.097 1.00 0.00 H new ATOM 1302 N ASP B 23 -12.328 2.237 6.207 1.00 0.00 N ATOM 1303 CA ASP B 23 -13.373 1.672 7.047 1.00 0.00 C ATOM 1304 C ASP B 23 -12.853 0.483 7.870 1.00 0.00 C ATOM 1305 O ASP B 23 -12.777 0.551 9.102 1.00 0.00 O ATOM 1306 CB ASP B 23 -14.558 1.240 6.185 1.00 0.00 C ATOM 1307 CG ASP B 23 -15.751 0.824 7.014 1.00 0.00 C ATOM 1308 OD1 ASP B 23 -16.471 1.717 7.511 1.00 0.00 O ATOM 1309 OD2 ASP B 23 -15.981 -0.389 7.157 1.00 0.00 O ATOM 0 H ASP B 23 -12.526 2.207 5.207 1.00 0.00 H new ATOM 0 HA ASP B 23 -13.697 2.443 7.746 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -14.844 2.061 5.528 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -14.256 0.410 5.546 1.00 0.00 H new ATOM 1314 N ARG B 24 -12.432 -0.577 7.180 1.00 0.00 N ATOM 1315 CA ARG B 24 -12.065 -1.828 7.845 1.00 0.00 C ATOM 1316 C ARG B 24 -10.739 -1.710 8.595 1.00 0.00 C ATOM 1317 O ARG B 24 -10.649 -2.058 9.772 1.00 0.00 O ATOM 1318 CB ARG B 24 -11.960 -2.967 6.824 1.00 0.00 C ATOM 1319 CG ARG B 24 -13.257 -3.726 6.559 1.00 0.00 C ATOM 1320 CD ARG B 24 -14.348 -2.837 5.988 1.00 0.00 C ATOM 1321 NE ARG B 24 -15.353 -3.615 5.260 1.00 0.00 N ATOM 1322 CZ ARG B 24 -16.534 -3.135 4.855 1.00 0.00 C ATOM 1323 NH1 ARG B 24 -16.945 -1.929 5.226 1.00 0.00 N ATOM 1324 NH2 ARG B 24 -17.326 -3.882 4.098 1.00 0.00 N ATOM 0 H ARG B 24 -12.337 -0.595 6.165 1.00 0.00 H new ATOM 0 HA ARG B 24 -12.852 -2.045 8.567 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -11.600 -2.556 5.881 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -11.208 -3.676 7.171 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -13.060 -4.544 5.866 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -13.608 -4.174 7.489 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -14.829 -2.286 6.796 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -13.904 -2.099 5.320 1.00 0.00 H new ATOM 0 HE ARG B 24 -15.138 -4.589 5.047 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -16.357 -1.353 5.829 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -17.848 -1.578 4.908 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -17.034 -4.821 3.826 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -18.227 -3.518 3.788 1.00 0.00 H new ATOM 1338 N LEU B 25 -9.716 -1.206 7.915 1.00 0.00 N ATOM 1339 CA LEU B 25 -8.371 -1.158 8.478 1.00 0.00 C ATOM 1340 C LEU B 25 -8.291 -0.204 9.658 1.00 0.00 C ATOM 1341 O LEU B 25 -7.666 -0.524 10.660 1.00 0.00 O ATOM 1342 CB LEU B 25 -7.339 -0.756 7.422 1.00 0.00 C ATOM 1343 CG LEU B 25 -7.187 -1.731 6.255 1.00 0.00 C ATOM 1344 CD1 LEU B 25 -6.149 -1.216 5.273 1.00 0.00 C ATOM 1345 CD2 LEU B 25 -6.809 -3.118 6.761 1.00 0.00 C ATOM 0 H LEU B 25 -9.792 -0.824 6.972 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.142 -2.164 8.829 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -7.612 0.222 7.024 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -6.370 -0.643 7.909 1.00 0.00 H new ATOM 0 HG LEU B 25 -8.144 -1.808 5.739 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -6.050 -1.919 4.446 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -6.462 -0.245 4.888 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -5.189 -1.113 5.779 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -6.705 -3.798 5.915 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -5.864 -3.063 7.301 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -7.587 -3.486 7.429 1.00 0.00 H new ATOM 1357 N MET B 26 -8.904 0.971 9.545 1.00 0.00 N ATOM 1358 CA MET B 26 -8.857 1.935 10.641 1.00 0.00 C ATOM 1359 C MET B 26 -9.650 1.448 11.844 1.00 0.00 C ATOM 1360 O MET B 26 -9.387 1.867 12.968 1.00 0.00 O ATOM 1361 CB MET B 26 -9.318 3.318 10.194 1.00 0.00 C ATOM 1362 CG MET B 26 -8.362 3.963 9.203 1.00 0.00 C ATOM 1363 SD MET B 26 -8.918 5.580 8.634 1.00 0.00 S ATOM 1364 CE MET B 26 -9.005 6.469 10.189 1.00 0.00 C ATOM 0 H MET B 26 -9.429 1.275 8.725 1.00 0.00 H new ATOM 0 HA MET B 26 -7.815 2.024 10.949 1.00 0.00 H new ATOM 0 HB2 MET B 26 -10.306 3.238 9.740 1.00 0.00 H new ATOM 0 HB3 MET B 26 -9.419 3.963 11.067 1.00 0.00 H new ATOM 0 HG2 MET B 26 -7.381 4.065 9.668 1.00 0.00 H new ATOM 0 HG3 MET B 26 -8.240 3.304 8.343 1.00 0.00 H new ATOM 0 HE1 MET B 26 -8.983 7.542 9.997 1.00 0.00 H new ATOM 0 HE2 MET B 26 -9.931 6.212 10.704 1.00 0.00 H new ATOM 0 HE3 MET B 26 -8.154 6.195 10.813 1.00 0.00 H new ATOM 1374 N GLU B 27 -10.619 0.565 11.619 1.00 0.00 N ATOM 1375 CA GLU B 27 -11.274 -0.105 12.732 1.00 0.00 C ATOM 1376 C GLU B 27 -10.264 -1.001 13.449 1.00 0.00 C ATOM 1377 O GLU B 27 -10.214 -1.047 14.676 1.00 0.00 O ATOM 1378 CB GLU B 27 -12.480 -0.916 12.250 1.00 0.00 C ATOM 1379 CG GLU B 27 -13.293 -1.538 13.377 1.00 0.00 C ATOM 1380 CD GLU B 27 -13.801 -0.507 14.367 1.00 0.00 C ATOM 1381 OE1 GLU B 27 -14.674 0.303 13.993 1.00 0.00 O ATOM 1382 OE2 GLU B 27 -13.331 -0.499 15.524 1.00 0.00 O ATOM 0 H GLU B 27 -10.961 0.302 10.695 1.00 0.00 H new ATOM 0 HA GLU B 27 -11.644 0.645 13.431 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -13.129 -0.268 11.661 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -12.132 -1.707 11.586 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -14.140 -2.078 12.954 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -12.679 -2.269 13.902 1.00 0.00 H new ATOM 1389 N ILE B 28 -9.434 -1.679 12.666 1.00 0.00 N ATOM 1390 CA ILE B 28 -8.362 -2.508 13.210 1.00 0.00 C ATOM 1391 C ILE B 28 -7.338 -1.628 13.924 1.00 0.00 C ATOM 1392 O ILE B 28 -6.816 -1.979 14.982 1.00 0.00 O ATOM 1393 CB ILE B 28 -7.658 -3.317 12.094 1.00 0.00 C ATOM 1394 CG1 ILE B 28 -8.672 -4.188 11.347 1.00 0.00 C ATOM 1395 CG2 ILE B 28 -6.546 -4.180 12.672 1.00 0.00 C ATOM 1396 CD1 ILE B 28 -8.088 -4.930 10.161 1.00 0.00 C ATOM 0 H ILE B 28 -9.482 -1.672 11.647 1.00 0.00 H new ATOM 0 HA ILE B 28 -8.804 -3.210 13.917 1.00 0.00 H new ATOM 0 HB ILE B 28 -7.214 -2.613 11.390 1.00 0.00 H new ATOM 0 HG12 ILE B 28 -9.097 -4.912 12.043 1.00 0.00 H new ATOM 0 HG13 ILE B 28 -9.492 -3.559 11.001 1.00 0.00 H new ATOM 0 HG21 ILE B 28 -6.065 -4.740 11.870 1.00 0.00 H new ATOM 0 HG22 ILE B 28 -5.809 -3.544 13.163 1.00 0.00 H new ATOM 0 HG23 ILE B 28 -6.966 -4.876 13.399 1.00 0.00 H new ATOM 0 HD11 ILE B 28 -8.867 -5.525 9.684 1.00 0.00 H new ATOM 0 HD12 ILE B 28 -7.689 -4.213 9.444 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -7.287 -5.587 10.501 1.00 0.00 H new ATOM 1408 N ALA B 29 -7.079 -0.470 13.332 1.00 0.00 N ATOM 1409 CA ALA B 29 -6.151 0.502 13.887 1.00 0.00 C ATOM 1410 C ALA B 29 -6.659 1.024 15.225 1.00 0.00 C ATOM 1411 O ALA B 29 -5.886 1.426 16.089 1.00 0.00 O ATOM 1412 CB ALA B 29 -5.948 1.644 12.905 1.00 0.00 C ATOM 0 H ALA B 29 -7.507 -0.179 12.453 1.00 0.00 H new ATOM 0 HA ALA B 29 -5.191 0.015 14.058 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -5.252 2.368 13.328 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -5.543 1.253 11.971 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -6.904 2.131 12.710 1.00 0.00 H new ATOM 1418 N LYS B 30 -7.969 0.972 15.397 1.00 0.00 N ATOM 1419 CA LYS B 30 -8.605 1.441 16.614 1.00 0.00 C ATOM 1420 C LYS B 30 -8.438 0.388 17.702 1.00 0.00 C ATOM 1421 O LYS B 30 -8.269 0.705 18.880 1.00 0.00 O ATOM 1422 CB LYS B 30 -10.089 1.682 16.337 1.00 0.00 C ATOM 1423 CG LYS B 30 -10.808 2.502 17.396 1.00 0.00 C ATOM 1424 CD LYS B 30 -12.320 2.418 17.224 1.00 0.00 C ATOM 1425 CE LYS B 30 -12.763 2.827 15.826 1.00 0.00 C ATOM 1426 NZ LYS B 30 -14.221 2.618 15.629 1.00 0.00 N ATOM 0 H LYS B 30 -8.618 0.605 14.700 1.00 0.00 H new ATOM 0 HA LYS B 30 -8.146 2.372 16.946 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -10.188 2.188 15.376 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -10.588 0.718 16.243 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -10.531 2.143 18.387 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -10.489 3.542 17.333 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -12.651 1.399 17.425 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -12.804 3.061 17.959 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -12.520 3.876 15.660 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -12.209 2.250 15.085 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -14.372 1.888 14.904 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -14.652 2.312 16.525 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -14.661 3.508 15.320 1.00 0.00 H new ATOM 1440 N GLU B 31 -8.470 -0.866 17.275 1.00 0.00 N ATOM 1441 CA GLU B 31 -8.290 -2.002 18.169 1.00 0.00 C ATOM 1442 C GLU B 31 -6.883 -2.022 18.770 1.00 0.00 C ATOM 1443 O GLU B 31 -6.719 -2.171 19.979 1.00 0.00 O ATOM 1444 CB GLU B 31 -8.541 -3.316 17.423 1.00 0.00 C ATOM 1445 CG GLU B 31 -9.939 -3.445 16.846 1.00 0.00 C ATOM 1446 CD GLU B 31 -10.115 -4.713 16.035 1.00 0.00 C ATOM 1447 OE1 GLU B 31 -10.289 -5.793 16.641 1.00 0.00 O ATOM 1448 OE2 GLU B 31 -10.071 -4.643 14.790 1.00 0.00 O ATOM 0 H GLU B 31 -8.621 -1.125 16.300 1.00 0.00 H new ATOM 0 HA GLU B 31 -9.013 -1.898 18.978 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -7.816 -3.406 16.614 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -8.363 -4.148 18.105 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -10.667 -3.432 17.658 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -10.150 -2.581 16.215 1.00 0.00 H new ATOM 1455 N LYS B 32 -5.873 -1.856 17.916 1.00 0.00 N ATOM 1456 CA LYS B 32 -4.478 -2.044 18.327 1.00 0.00 C ATOM 1457 C LYS B 32 -3.796 -0.737 18.738 1.00 0.00 C ATOM 1458 O LYS B 32 -2.638 -0.755 19.159 1.00 0.00 O ATOM 1459 CB LYS B 32 -3.651 -2.696 17.209 1.00 0.00 C ATOM 1460 CG LYS B 32 -3.927 -4.178 16.974 1.00 0.00 C ATOM 1461 CD LYS B 32 -5.233 -4.412 16.230 1.00 0.00 C ATOM 1462 CE LYS B 32 -5.367 -5.857 15.778 1.00 0.00 C ATOM 1463 NZ LYS B 32 -5.436 -6.805 16.921 1.00 0.00 N ATOM 0 H LYS B 32 -5.992 -1.593 16.938 1.00 0.00 H new ATOM 0 HA LYS B 32 -4.517 -2.700 19.197 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -3.837 -2.157 16.280 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -2.593 -2.573 17.443 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -3.105 -4.613 16.405 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -3.960 -4.695 17.933 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -6.072 -4.153 16.876 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -5.282 -3.753 15.363 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -6.264 -5.962 15.168 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -4.519 -6.117 15.145 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -5.544 -7.775 16.562 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -4.562 -6.738 17.481 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -6.251 -6.566 17.522 1.00 0.00 H new ATOM 1477 N ASN B 33 -4.512 0.380 18.605 1.00 0.00 N ATOM 1478 CA ASN B 33 -3.950 1.714 18.867 1.00 0.00 C ATOM 1479 C ASN B 33 -2.854 2.032 17.844 1.00 0.00 C ATOM 1480 O ASN B 33 -1.698 2.289 18.181 1.00 0.00 O ATOM 1481 CB ASN B 33 -3.401 1.819 20.302 1.00 0.00 C ATOM 1482 CG ASN B 33 -2.860 3.201 20.635 1.00 0.00 C ATOM 1483 OD1 ASN B 33 -1.865 3.331 21.347 1.00 0.00 O ATOM 1484 ND2 ASN B 33 -3.521 4.244 20.152 1.00 0.00 N ATOM 0 H ASN B 33 -5.490 0.391 18.315 1.00 0.00 H new ATOM 0 HA ASN B 33 -4.751 2.447 18.767 1.00 0.00 H new ATOM 0 HB2 ASN B 33 -4.193 1.566 21.007 1.00 0.00 H new ATOM 0 HB3 ASN B 33 -2.608 1.083 20.436 1.00 0.00 H new ATOM 0 HD21 ASN B 33 -3.208 5.191 20.368 1.00 0.00 H new ATOM 0 HD22 ASN B 33 -4.342 4.100 19.565 1.00 0.00 H new ATOM 1491 N LEU B 34 -3.242 1.995 16.584 1.00 0.00 N ATOM 1492 CA LEU B 34 -2.336 2.238 15.470 1.00 0.00 C ATOM 1493 C LEU B 34 -2.991 3.192 14.485 1.00 0.00 C ATOM 1494 O LEU B 34 -4.180 3.484 14.600 1.00 0.00 O ATOM 1495 CB LEU B 34 -1.994 0.922 14.762 1.00 0.00 C ATOM 1496 CG LEU B 34 -1.249 -0.111 15.608 1.00 0.00 C ATOM 1497 CD1 LEU B 34 -1.103 -1.418 14.846 1.00 0.00 C ATOM 1498 CD2 LEU B 34 0.119 0.416 16.014 1.00 0.00 C ATOM 0 H LEU B 34 -4.201 1.794 16.299 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.416 2.679 15.853 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.920 0.472 14.404 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -1.390 1.149 13.884 1.00 0.00 H new ATOM 0 HG LEU B 34 -1.831 -0.297 16.511 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -0.570 -2.142 15.463 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -2.091 -1.808 14.600 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -0.543 -1.243 13.927 1.00 0.00 H new ATOM 0 HD21 LEU B 34 0.634 -0.333 16.615 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.706 0.630 15.121 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -0.001 1.329 16.597 1.00 0.00 H new ATOM 1510 N THR B 35 -2.222 3.698 13.540 1.00 0.00 N ATOM 1511 CA THR B 35 -2.789 4.499 12.475 1.00 0.00 C ATOM 1512 C THR B 35 -2.866 3.661 11.207 1.00 0.00 C ATOM 1513 O THR B 35 -2.191 2.635 11.111 1.00 0.00 O ATOM 1514 CB THR B 35 -1.960 5.774 12.204 1.00 0.00 C ATOM 1515 OG1 THR B 35 -0.612 5.430 11.846 1.00 0.00 O ATOM 1516 CG2 THR B 35 -1.949 6.686 13.421 1.00 0.00 C ATOM 0 H THR B 35 -1.211 3.570 13.488 1.00 0.00 H new ATOM 0 HA THR B 35 -3.785 4.815 12.785 1.00 0.00 H new ATOM 0 HB THR B 35 -2.427 6.305 11.375 1.00 0.00 H new ATOM 0 HG1 THR B 35 -0.182 4.970 12.596 1.00 0.00 H new ATOM 0 HG21 THR B 35 -1.359 7.576 13.203 1.00 0.00 H new ATOM 0 HG22 THR B 35 -2.970 6.979 13.666 1.00 0.00 H new ATOM 0 HG23 THR B 35 -1.510 6.158 14.268 1.00 0.00 H new ATOM 1524 N LEU B 36 -3.687 4.058 10.246 1.00 0.00 N ATOM 1525 CA LEU B 36 -3.774 3.311 8.993 1.00 0.00 C ATOM 1526 C LEU B 36 -2.411 3.283 8.305 1.00 0.00 C ATOM 1527 O LEU B 36 -2.057 2.314 7.630 1.00 0.00 O ATOM 1528 CB LEU B 36 -4.833 3.896 8.051 1.00 0.00 C ATOM 1529 CG LEU B 36 -4.467 5.202 7.336 1.00 0.00 C ATOM 1530 CD1 LEU B 36 -5.426 5.444 6.192 1.00 0.00 C ATOM 1531 CD2 LEU B 36 -4.484 6.388 8.287 1.00 0.00 C ATOM 0 H LEU B 36 -4.293 4.876 10.303 1.00 0.00 H new ATOM 0 HA LEU B 36 -4.078 2.293 9.235 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -5.067 3.147 7.294 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -5.744 4.065 8.625 1.00 0.00 H new ATOM 0 HG LEU B 36 -3.452 5.101 6.951 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -5.162 6.373 5.687 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -5.365 4.617 5.485 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -6.443 5.517 6.579 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -4.219 7.295 7.743 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -5.481 6.498 8.713 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -3.764 6.222 9.088 1.00 0.00 H new ATOM 1543 N SER B 37 -1.652 4.352 8.508 1.00 0.00 N ATOM 1544 CA SER B 37 -0.288 4.441 8.025 1.00 0.00 C ATOM 1545 C SER B 37 0.543 3.281 8.569 1.00 0.00 C ATOM 1546 O SER B 37 1.334 2.675 7.842 1.00 0.00 O ATOM 1547 CB SER B 37 0.316 5.773 8.461 1.00 0.00 C ATOM 1548 OG SER B 37 -0.548 6.852 8.133 1.00 0.00 O ATOM 0 H SER B 37 -1.968 5.180 9.013 1.00 0.00 H new ATOM 0 HA SER B 37 -0.287 4.383 6.937 1.00 0.00 H new ATOM 0 HB2 SER B 37 0.497 5.760 9.536 1.00 0.00 H new ATOM 0 HB3 SER B 37 1.282 5.915 7.977 1.00 0.00 H new ATOM 0 HG SER B 37 -0.015 7.654 7.953 1.00 0.00 H new ATOM 1554 N ASP B 38 0.326 2.957 9.843 1.00 0.00 N ATOM 1555 CA ASP B 38 1.029 1.857 10.486 1.00 0.00 C ATOM 1556 C ASP B 38 0.661 0.543 9.828 1.00 0.00 C ATOM 1557 O ASP B 38 1.518 -0.298 9.601 1.00 0.00 O ATOM 1558 CB ASP B 38 0.703 1.771 11.981 1.00 0.00 C ATOM 1559 CG ASP B 38 1.320 2.887 12.792 1.00 0.00 C ATOM 1560 OD1 ASP B 38 2.564 2.949 12.873 1.00 0.00 O ATOM 1561 OD2 ASP B 38 0.561 3.691 13.379 1.00 0.00 O ATOM 0 H ASP B 38 -0.334 3.445 10.449 1.00 0.00 H new ATOM 0 HA ASP B 38 2.096 2.048 10.373 1.00 0.00 H new ATOM 0 HB2 ASP B 38 -0.379 1.791 12.112 1.00 0.00 H new ATOM 0 HB3 ASP B 38 1.053 0.814 12.368 1.00 0.00 H new ATOM 1566 N VAL B 39 -0.609 0.388 9.492 1.00 0.00 N ATOM 1567 CA VAL B 39 -1.097 -0.854 8.900 1.00 0.00 C ATOM 1568 C VAL B 39 -0.418 -1.126 7.559 1.00 0.00 C ATOM 1569 O VAL B 39 -0.061 -2.265 7.258 1.00 0.00 O ATOM 1570 CB VAL B 39 -2.630 -0.820 8.703 1.00 0.00 C ATOM 1571 CG1 VAL B 39 -3.139 -2.143 8.143 1.00 0.00 C ATOM 1572 CG2 VAL B 39 -3.334 -0.490 10.011 1.00 0.00 C ATOM 0 H VAL B 39 -1.324 1.105 9.618 1.00 0.00 H new ATOM 0 HA VAL B 39 -0.851 -1.658 9.594 1.00 0.00 H new ATOM 0 HB VAL B 39 -2.857 -0.036 7.981 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -4.220 -2.092 8.014 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -2.668 -2.336 7.179 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -2.894 -2.949 8.834 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -4.412 -0.471 9.849 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -3.092 -1.248 10.756 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -3.003 0.486 10.366 1.00 0.00 H new ATOM 1582 N CYS B 40 -0.217 -0.077 6.771 1.00 0.00 N ATOM 1583 CA CYS B 40 0.399 -0.224 5.459 1.00 0.00 C ATOM 1584 C CYS B 40 1.872 -0.651 5.600 1.00 0.00 C ATOM 1585 O CYS B 40 2.282 -1.686 5.069 1.00 0.00 O ATOM 1586 CB CYS B 40 0.259 1.082 4.650 1.00 0.00 C ATOM 1587 SG CYS B 40 0.148 0.848 2.866 1.00 0.00 S ATOM 0 H CYS B 40 -0.470 0.880 7.016 1.00 0.00 H new ATOM 0 HA CYS B 40 -0.120 -1.010 4.911 1.00 0.00 H new ATOM 0 HB2 CYS B 40 -0.631 1.612 4.990 1.00 0.00 H new ATOM 0 HB3 CYS B 40 1.114 1.722 4.867 1.00 0.00 H new ATOM 0 HG CYS B 40 -0.980 1.330 2.434 1.00 0.00 H new ATOM 1593 N ARG B 41 2.670 0.154 6.297 1.00 0.00 N ATOM 1594 CA ARG B 41 4.074 -0.187 6.572 1.00 0.00 C ATOM 1595 C ARG B 41 4.237 -1.516 7.343 1.00 0.00 C ATOM 1596 O ARG B 41 5.236 -2.218 7.175 1.00 0.00 O ATOM 1597 CB ARG B 41 4.774 0.967 7.309 1.00 0.00 C ATOM 1598 CG ARG B 41 4.082 1.427 8.585 1.00 0.00 C ATOM 1599 CD ARG B 41 4.557 0.660 9.813 1.00 0.00 C ATOM 1600 NE ARG B 41 5.912 1.042 10.214 1.00 0.00 N ATOM 1601 CZ ARG B 41 6.438 0.763 11.406 1.00 0.00 C ATOM 1602 NH1 ARG B 41 5.732 0.082 12.302 1.00 0.00 N ATOM 1603 NH2 ARG B 41 7.664 1.171 11.706 1.00 0.00 N ATOM 0 H ARG B 41 2.373 1.050 6.685 1.00 0.00 H new ATOM 0 HA ARG B 41 4.555 -0.336 5.605 1.00 0.00 H new ATOM 0 HB2 ARG B 41 5.790 0.658 7.555 1.00 0.00 H new ATOM 0 HB3 ARG B 41 4.855 1.816 6.630 1.00 0.00 H new ATOM 0 HG2 ARG B 41 4.266 2.491 8.731 1.00 0.00 H new ATOM 0 HG3 ARG B 41 3.005 1.302 8.476 1.00 0.00 H new ATOM 0 HD2 ARG B 41 3.871 0.841 10.640 1.00 0.00 H new ATOM 0 HD3 ARG B 41 4.530 -0.409 9.604 1.00 0.00 H new ATOM 0 HE ARG B 41 6.487 1.551 9.542 1.00 0.00 H new ATOM 0 HH11 ARG B 41 4.786 -0.228 12.078 1.00 0.00 H new ATOM 0 HH12 ARG B 41 6.136 -0.131 13.214 1.00 0.00 H new ATOM 0 HH21 ARG B 41 8.207 1.700 11.023 1.00 0.00 H new ATOM 0 HH22 ARG B 41 8.064 0.956 12.619 1.00 0.00 H new ATOM 1617 N LEU B 42 3.277 -1.870 8.188 1.00 0.00 N ATOM 1618 CA LEU B 42 3.330 -3.163 8.872 1.00 0.00 C ATOM 1619 C LEU B 42 3.038 -4.288 7.894 1.00 0.00 C ATOM 1620 O LEU B 42 3.449 -5.431 8.094 1.00 0.00 O ATOM 1621 CB LEU B 42 2.345 -3.223 10.039 1.00 0.00 C ATOM 1622 CG LEU B 42 2.721 -2.374 11.255 1.00 0.00 C ATOM 1623 CD1 LEU B 42 1.647 -2.474 12.328 1.00 0.00 C ATOM 1624 CD2 LEU B 42 4.068 -2.809 11.811 1.00 0.00 C ATOM 0 H LEU B 42 2.466 -1.295 8.416 1.00 0.00 H new ATOM 0 HA LEU B 42 4.337 -3.282 9.273 1.00 0.00 H new ATOM 0 HB2 LEU B 42 1.365 -2.905 9.683 1.00 0.00 H new ATOM 0 HB3 LEU B 42 2.247 -4.261 10.357 1.00 0.00 H new ATOM 0 HG LEU B 42 2.797 -1.334 10.938 1.00 0.00 H new ATOM 0 HD11 LEU B 42 1.931 -1.864 13.185 1.00 0.00 H new ATOM 0 HD12 LEU B 42 0.698 -2.117 11.927 1.00 0.00 H new ATOM 0 HD13 LEU B 42 1.541 -3.513 12.641 1.00 0.00 H new ATOM 0 HD21 LEU B 42 4.320 -2.195 12.675 1.00 0.00 H new ATOM 0 HD22 LEU B 42 4.017 -3.855 12.112 1.00 0.00 H new ATOM 0 HD23 LEU B 42 4.834 -2.689 11.045 1.00 0.00 H new ATOM 1636 N ALA B 43 2.329 -3.949 6.830 1.00 0.00 N ATOM 1637 CA ALA B 43 1.972 -4.912 5.813 1.00 0.00 C ATOM 1638 C ALA B 43 3.169 -5.269 4.939 1.00 0.00 C ATOM 1639 O ALA B 43 3.300 -6.409 4.514 1.00 0.00 O ATOM 1640 CB ALA B 43 0.826 -4.392 4.968 1.00 0.00 C ATOM 0 H ALA B 43 1.989 -3.004 6.652 1.00 0.00 H new ATOM 0 HA ALA B 43 1.647 -5.823 6.315 1.00 0.00 H new ATOM 0 HB1 ALA B 43 0.571 -5.130 4.208 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -0.041 -4.210 5.603 1.00 0.00 H new ATOM 0 HB3 ALA B 43 1.123 -3.461 4.485 1.00 0.00 H new ATOM 1646 N ILE B 44 4.045 -4.299 4.663 1.00 0.00 N ATOM 1647 CA ILE B 44 5.258 -4.588 3.899 1.00 0.00 C ATOM 1648 C ILE B 44 6.216 -5.417 4.733 1.00 0.00 C ATOM 1649 O ILE B 44 6.938 -6.259 4.206 1.00 0.00 O ATOM 1650 CB ILE B 44 5.974 -3.322 3.366 1.00 0.00 C ATOM 1651 CG1 ILE B 44 6.030 -2.228 4.428 1.00 0.00 C ATOM 1652 CG2 ILE B 44 5.291 -2.822 2.108 1.00 0.00 C ATOM 1653 CD1 ILE B 44 6.474 -0.877 3.898 1.00 0.00 C ATOM 0 H ILE B 44 3.940 -3.326 4.951 1.00 0.00 H new ATOM 0 HA ILE B 44 4.940 -5.152 3.022 1.00 0.00 H new ATOM 0 HB ILE B 44 7.001 -3.591 3.119 1.00 0.00 H new ATOM 0 HG12 ILE B 44 5.044 -2.123 4.880 1.00 0.00 H new ATOM 0 HG13 ILE B 44 6.712 -2.539 5.220 1.00 0.00 H new ATOM 0 HG21 ILE B 44 5.805 -1.932 1.744 1.00 0.00 H new ATOM 0 HG22 ILE B 44 5.324 -3.598 1.343 1.00 0.00 H new ATOM 0 HG23 ILE B 44 4.253 -2.576 2.331 1.00 0.00 H new ATOM 0 HD11 ILE B 44 6.488 -0.153 4.713 1.00 0.00 H new ATOM 0 HD12 ILE B 44 7.474 -0.964 3.472 1.00 0.00 H new ATOM 0 HD13 ILE B 44 5.779 -0.542 3.128 1.00 0.00 H new ATOM 1665 N LYS B 45 6.207 -5.184 6.043 1.00 0.00 N ATOM 1666 CA LYS B 45 6.958 -6.028 6.962 1.00 0.00 C ATOM 1667 C LYS B 45 6.469 -7.474 6.851 1.00 0.00 C ATOM 1668 O LYS B 45 7.262 -8.415 6.828 1.00 0.00 O ATOM 1669 CB LYS B 45 6.812 -5.526 8.404 1.00 0.00 C ATOM 1670 CG LYS B 45 7.668 -6.285 9.411 1.00 0.00 C ATOM 1671 CD LYS B 45 9.148 -6.175 9.074 1.00 0.00 C ATOM 1672 CE LYS B 45 10.020 -6.884 10.103 1.00 0.00 C ATOM 1673 NZ LYS B 45 9.749 -8.347 10.164 1.00 0.00 N ATOM 0 H LYS B 45 5.692 -4.424 6.487 1.00 0.00 H new ATOM 0 HA LYS B 45 8.014 -5.985 6.694 1.00 0.00 H new ATOM 0 HB2 LYS B 45 7.078 -4.469 8.439 1.00 0.00 H new ATOM 0 HB3 LYS B 45 5.766 -5.602 8.701 1.00 0.00 H new ATOM 0 HG2 LYS B 45 7.491 -5.891 10.412 1.00 0.00 H new ATOM 0 HG3 LYS B 45 7.373 -7.334 9.424 1.00 0.00 H new ATOM 0 HD2 LYS B 45 9.329 -6.604 8.088 1.00 0.00 H new ATOM 0 HD3 LYS B 45 9.431 -5.124 9.021 1.00 0.00 H new ATOM 0 HE2 LYS B 45 11.070 -6.721 9.860 1.00 0.00 H new ATOM 0 HE3 LYS B 45 9.849 -6.444 11.085 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 10.551 -8.830 10.616 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 8.885 -8.517 10.718 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 9.621 -8.717 9.200 1.00 0.00 H new ATOM 1687 N GLU B 46 5.154 -7.625 6.748 1.00 0.00 N ATOM 1688 CA GLU B 46 4.525 -8.930 6.611 1.00 0.00 C ATOM 1689 C GLU B 46 4.851 -9.504 5.236 1.00 0.00 C ATOM 1690 O GLU B 46 5.111 -10.697 5.084 1.00 0.00 O ATOM 1691 CB GLU B 46 3.007 -8.777 6.774 1.00 0.00 C ATOM 1692 CG GLU B 46 2.231 -10.084 6.811 1.00 0.00 C ATOM 1693 CD GLU B 46 2.315 -10.781 8.153 1.00 0.00 C ATOM 1694 OE1 GLU B 46 1.782 -10.232 9.143 1.00 0.00 O ATOM 1695 OE2 GLU B 46 2.882 -11.891 8.221 1.00 0.00 O ATOM 0 H GLU B 46 4.495 -6.846 6.757 1.00 0.00 H new ATOM 0 HA GLU B 46 4.900 -9.608 7.377 1.00 0.00 H new ATOM 0 HB2 GLU B 46 2.809 -8.228 7.694 1.00 0.00 H new ATOM 0 HB3 GLU B 46 2.628 -8.169 5.952 1.00 0.00 H new ATOM 0 HG2 GLU B 46 1.185 -9.887 6.574 1.00 0.00 H new ATOM 0 HG3 GLU B 46 2.613 -10.750 6.037 1.00 0.00 H new ATOM 1702 N TYR B 47 4.857 -8.626 4.242 1.00 0.00 N ATOM 1703 CA TYR B 47 5.127 -9.009 2.869 1.00 0.00 C ATOM 1704 C TYR B 47 6.536 -9.570 2.745 1.00 0.00 C ATOM 1705 O TYR B 47 6.759 -10.579 2.072 1.00 0.00 O ATOM 1706 CB TYR B 47 4.950 -7.798 1.945 1.00 0.00 C ATOM 1707 CG TYR B 47 5.074 -8.117 0.471 1.00 0.00 C ATOM 1708 CD1 TYR B 47 3.963 -8.509 -0.265 1.00 0.00 C ATOM 1709 CD2 TYR B 47 6.295 -8.026 -0.185 1.00 0.00 C ATOM 1710 CE1 TYR B 47 4.065 -8.804 -1.608 1.00 0.00 C ATOM 1711 CE2 TYR B 47 6.405 -8.319 -1.532 1.00 0.00 C ATOM 1712 CZ TYR B 47 5.287 -8.709 -2.238 1.00 0.00 C ATOM 1713 OH TYR B 47 5.391 -9.007 -3.578 1.00 0.00 O ATOM 0 H TYR B 47 4.675 -7.630 4.368 1.00 0.00 H new ATOM 0 HA TYR B 47 4.420 -9.784 2.572 1.00 0.00 H new ATOM 0 HB2 TYR B 47 3.971 -7.356 2.128 1.00 0.00 H new ATOM 0 HB3 TYR B 47 5.694 -7.045 2.206 1.00 0.00 H new ATOM 0 HD1 TYR B 47 3.003 -8.584 0.223 1.00 0.00 H new ATOM 0 HD2 TYR B 47 7.173 -7.721 0.366 1.00 0.00 H new ATOM 0 HE1 TYR B 47 3.191 -9.108 -2.164 1.00 0.00 H new ATOM 0 HE2 TYR B 47 7.361 -8.243 -2.028 1.00 0.00 H new ATOM 0 HH TYR B 47 6.320 -8.889 -3.868 1.00 0.00 H new ATOM 1723 N LEU B 48 7.476 -8.923 3.419 1.00 0.00 N ATOM 1724 CA LEU B 48 8.857 -9.370 3.420 1.00 0.00 C ATOM 1725 C LEU B 48 8.972 -10.737 4.074 1.00 0.00 C ATOM 1726 O LEU B 48 9.480 -11.670 3.471 1.00 0.00 O ATOM 1727 CB LEU B 48 9.749 -8.371 4.160 1.00 0.00 C ATOM 1728 CG LEU B 48 9.831 -6.970 3.544 1.00 0.00 C ATOM 1729 CD1 LEU B 48 10.747 -6.080 4.370 1.00 0.00 C ATOM 1730 CD2 LEU B 48 10.319 -7.048 2.105 1.00 0.00 C ATOM 0 H LEU B 48 7.304 -8.084 3.973 1.00 0.00 H new ATOM 0 HA LEU B 48 9.189 -9.440 2.384 1.00 0.00 H new ATOM 0 HB2 LEU B 48 9.386 -8.277 5.184 1.00 0.00 H new ATOM 0 HB3 LEU B 48 10.757 -8.783 4.215 1.00 0.00 H new ATOM 0 HG LEU B 48 8.832 -6.533 3.545 1.00 0.00 H new ATOM 0 HD11 LEU B 48 10.794 -5.089 3.919 1.00 0.00 H new ATOM 0 HD12 LEU B 48 10.357 -5.999 5.385 1.00 0.00 H new ATOM 0 HD13 LEU B 48 11.747 -6.514 4.399 1.00 0.00 H new ATOM 0 HD21 LEU B 48 10.371 -6.044 1.684 1.00 0.00 H new ATOM 0 HD22 LEU B 48 11.309 -7.504 2.081 1.00 0.00 H new ATOM 0 HD23 LEU B 48 9.627 -7.652 1.518 1.00 0.00 H new ATOM 1742 N ASP B 49 8.462 -10.848 5.295 1.00 0.00 N ATOM 1743 CA ASP B 49 8.580 -12.074 6.089 1.00 0.00 C ATOM 1744 C ASP B 49 7.999 -13.296 5.378 1.00 0.00 C ATOM 1745 O ASP B 49 8.592 -14.371 5.410 1.00 0.00 O ATOM 1746 CB ASP B 49 7.893 -11.887 7.445 1.00 0.00 C ATOM 1747 CG ASP B 49 8.794 -11.240 8.482 1.00 0.00 C ATOM 1748 OD1 ASP B 49 9.285 -10.123 8.240 1.00 0.00 O ATOM 1749 OD2 ASP B 49 9.016 -11.848 9.554 1.00 0.00 O ATOM 0 H ASP B 49 7.956 -10.097 5.764 1.00 0.00 H new ATOM 0 HA ASP B 49 9.644 -12.260 6.231 1.00 0.00 H new ATOM 0 HB2 ASP B 49 7.001 -11.274 7.313 1.00 0.00 H new ATOM 0 HB3 ASP B 49 7.561 -12.857 7.815 1.00 0.00 H new ATOM 1754 N ASN B 50 6.856 -13.132 4.720 1.00 0.00 N ATOM 1755 CA ASN B 50 6.183 -14.263 4.074 1.00 0.00 C ATOM 1756 C ASN B 50 6.834 -14.619 2.741 1.00 0.00 C ATOM 1757 O ASN B 50 6.766 -15.763 2.292 1.00 0.00 O ATOM 1758 CB ASN B 50 4.693 -13.964 3.865 1.00 0.00 C ATOM 1759 CG ASN B 50 3.902 -14.005 5.162 1.00 0.00 C ATOM 1760 OD1 ASN B 50 3.361 -15.045 5.546 1.00 0.00 O ATOM 1761 ND2 ASN B 50 3.824 -12.875 5.841 1.00 0.00 N ATOM 0 H ASN B 50 6.377 -12.237 4.618 1.00 0.00 H new ATOM 0 HA ASN B 50 6.283 -15.120 4.740 1.00 0.00 H new ATOM 0 HB2 ASN B 50 4.584 -12.980 3.408 1.00 0.00 H new ATOM 0 HB3 ASN B 50 4.275 -14.688 3.166 1.00 0.00 H new ATOM 0 HD21 ASN B 50 3.302 -12.841 6.717 1.00 0.00 H new ATOM 0 HD22 ASN B 50 4.286 -12.036 5.490 1.00 0.00 H new ATOM 1768 N HIS B 51 7.467 -13.643 2.106 1.00 0.00 N ATOM 1769 CA HIS B 51 8.145 -13.883 0.834 1.00 0.00 C ATOM 1770 C HIS B 51 9.628 -14.166 1.048 1.00 0.00 C ATOM 1771 O HIS B 51 10.356 -14.474 0.106 1.00 0.00 O ATOM 1772 CB HIS B 51 7.970 -12.694 -0.115 1.00 0.00 C ATOM 1773 CG HIS B 51 6.624 -12.637 -0.771 1.00 0.00 C ATOM 1774 ND1 HIS B 51 6.396 -13.065 -2.062 1.00 0.00 N ATOM 1775 CD2 HIS B 51 5.430 -12.191 -0.310 1.00 0.00 C ATOM 1776 CE1 HIS B 51 5.123 -12.882 -2.368 1.00 0.00 C ATOM 1777 NE2 HIS B 51 4.518 -12.355 -1.323 1.00 0.00 N ATOM 0 H HIS B 51 7.527 -12.683 2.445 1.00 0.00 H new ATOM 0 HA HIS B 51 7.686 -14.761 0.379 1.00 0.00 H new ATOM 0 HB2 HIS B 51 8.132 -11.771 0.441 1.00 0.00 H new ATOM 0 HB3 HIS B 51 8.738 -12.741 -0.887 1.00 0.00 H new ATOM 0 HD2 HIS B 51 5.233 -11.783 0.670 1.00 0.00 H new ATOM 0 HE1 HIS B 51 4.659 -13.123 -3.313 1.00 0.00 H new ATOM 0 HE2 HIS B 51 3.530 -12.108 -1.274 1.00 0.00 H new ATOM 1786 N ASP B 52 10.063 -14.056 2.292 1.00 0.00 N ATOM 1787 CA ASP B 52 11.456 -14.276 2.646 1.00 0.00 C ATOM 1788 C ASP B 52 11.633 -15.688 3.171 1.00 0.00 C ATOM 1789 O ASP B 52 11.118 -16.041 4.234 1.00 0.00 O ATOM 1790 CB ASP B 52 11.900 -13.264 3.698 1.00 0.00 C ATOM 1791 CG ASP B 52 13.391 -13.272 3.936 1.00 0.00 C ATOM 1792 OD1 ASP B 52 13.854 -14.037 4.804 1.00 0.00 O ATOM 1793 OD2 ASP B 52 14.104 -12.488 3.271 1.00 0.00 O ATOM 0 H ASP B 52 9.465 -13.813 3.081 1.00 0.00 H new ATOM 0 HA ASP B 52 12.073 -14.145 1.757 1.00 0.00 H new ATOM 0 HB2 ASP B 52 11.593 -12.266 3.385 1.00 0.00 H new ATOM 0 HB3 ASP B 52 11.387 -13.476 4.636 1.00 0.00 H new ATOM 1798 N LYS B 53 12.361 -16.498 2.428 1.00 0.00 N ATOM 1799 CA LYS B 53 12.509 -17.899 2.773 1.00 0.00 C ATOM 1800 C LYS B 53 13.632 -18.109 3.778 1.00 0.00 C ATOM 1801 O LYS B 53 13.958 -19.238 4.130 1.00 0.00 O ATOM 1802 CB LYS B 53 12.723 -18.733 1.512 1.00 0.00 C ATOM 1803 CG LYS B 53 11.559 -18.618 0.544 1.00 0.00 C ATOM 1804 CD LYS B 53 11.699 -19.569 -0.625 1.00 0.00 C ATOM 1805 CE LYS B 53 10.501 -19.476 -1.555 1.00 0.00 C ATOM 1806 NZ LYS B 53 9.220 -19.752 -0.848 1.00 0.00 N ATOM 0 H LYS B 53 12.858 -16.212 1.584 1.00 0.00 H new ATOM 0 HA LYS B 53 11.588 -18.233 3.251 1.00 0.00 H new ATOM 0 HB2 LYS B 53 13.639 -18.411 1.016 1.00 0.00 H new ATOM 0 HB3 LYS B 53 12.861 -19.778 1.789 1.00 0.00 H new ATOM 0 HG2 LYS B 53 10.627 -18.825 1.071 1.00 0.00 H new ATOM 0 HG3 LYS B 53 11.495 -17.595 0.174 1.00 0.00 H new ATOM 0 HD2 LYS B 53 12.610 -19.339 -1.177 1.00 0.00 H new ATOM 0 HD3 LYS B 53 11.799 -20.590 -0.257 1.00 0.00 H new ATOM 0 HE2 LYS B 53 10.463 -18.481 -1.998 1.00 0.00 H new ATOM 0 HE3 LYS B 53 10.623 -20.185 -2.374 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 8.477 -19.963 -1.545 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 9.342 -20.568 -0.215 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 8.945 -18.919 -0.290 1.00 0.00 H new ATOM 1820 N GLN B 54 14.213 -17.017 4.255 1.00 0.00 N ATOM 1821 CA GLN B 54 15.171 -17.097 5.344 1.00 0.00 C ATOM 1822 C GLN B 54 14.414 -17.058 6.663 1.00 0.00 C ATOM 1823 O GLN B 54 14.866 -17.594 7.675 1.00 0.00 O ATOM 1824 CB GLN B 54 16.195 -15.957 5.288 1.00 0.00 C ATOM 1825 CG GLN B 54 17.277 -16.118 4.225 1.00 0.00 C ATOM 1826 CD GLN B 54 16.750 -16.039 2.805 1.00 0.00 C ATOM 1827 OE1 GLN B 54 16.653 -14.959 2.225 1.00 0.00 O ATOM 1828 NE2 GLN B 54 16.430 -17.184 2.228 1.00 0.00 N ATOM 0 H GLN B 54 14.039 -16.074 3.908 1.00 0.00 H new ATOM 0 HA GLN B 54 15.725 -18.031 5.252 1.00 0.00 H new ATOM 0 HB2 GLN B 54 15.666 -15.021 5.108 1.00 0.00 H new ATOM 0 HB3 GLN B 54 16.674 -15.870 6.263 1.00 0.00 H new ATOM 0 HG2 GLN B 54 18.032 -15.345 4.367 1.00 0.00 H new ATOM 0 HG3 GLN B 54 17.774 -17.078 4.366 1.00 0.00 H new ATOM 0 HE21 GLN B 54 16.525 -18.059 2.744 1.00 0.00 H new ATOM 0 HE22 GLN B 54 16.088 -17.193 1.267 1.00 0.00 H new ATOM 1837 N LYS B 55 13.245 -16.425 6.630 1.00 0.00 N ATOM 1838 CA LYS B 55 12.357 -16.376 7.783 1.00 0.00 C ATOM 1839 C LYS B 55 11.577 -17.678 7.887 1.00 0.00 C ATOM 1840 O LYS B 55 11.637 -18.364 8.904 1.00 0.00 O ATOM 1841 CB LYS B 55 11.372 -15.207 7.660 1.00 0.00 C ATOM 1842 CG LYS B 55 12.026 -13.877 7.330 1.00 0.00 C ATOM 1843 CD LYS B 55 12.950 -13.401 8.438 1.00 0.00 C ATOM 1844 CE LYS B 55 13.725 -12.166 8.009 1.00 0.00 C ATOM 1845 NZ LYS B 55 14.680 -12.465 6.907 1.00 0.00 N ATOM 0 H LYS B 55 12.890 -15.935 5.809 1.00 0.00 H new ATOM 0 HA LYS B 55 12.964 -16.234 8.677 1.00 0.00 H new ATOM 0 HB2 LYS B 55 10.641 -15.442 6.886 1.00 0.00 H new ATOM 0 HB3 LYS B 55 10.824 -15.108 8.597 1.00 0.00 H new ATOM 0 HG2 LYS B 55 12.592 -13.972 6.403 1.00 0.00 H new ATOM 0 HG3 LYS B 55 11.254 -13.128 7.156 1.00 0.00 H new ATOM 0 HD2 LYS B 55 12.367 -13.177 9.331 1.00 0.00 H new ATOM 0 HD3 LYS B 55 13.646 -14.197 8.703 1.00 0.00 H new ATOM 0 HE2 LYS B 55 13.027 -11.394 7.685 1.00 0.00 H new ATOM 0 HE3 LYS B 55 14.270 -11.765 8.863 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 14.855 -11.601 6.355 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 15.577 -12.807 7.308 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 14.277 -13.196 6.287 1.00 0.00 H new ATOM 1859 N LYS B 56 10.876 -18.014 6.804 1.00 0.00 N ATOM 1860 CA LYS B 56 10.006 -19.190 6.753 1.00 0.00 C ATOM 1861 C LYS B 56 8.881 -19.078 7.781 1.00 0.00 C ATOM 1862 O LYS B 56 7.865 -18.421 7.471 1.00 0.00 O ATOM 1863 CB LYS B 56 10.794 -20.494 6.957 1.00 0.00 C ATOM 1864 CG LYS B 56 11.708 -20.852 5.790 1.00 0.00 C ATOM 1865 CD LYS B 56 12.344 -22.220 5.985 1.00 0.00 C ATOM 1866 CE LYS B 56 13.126 -22.669 4.756 1.00 0.00 C ATOM 1867 NZ LYS B 56 14.344 -21.845 4.523 1.00 0.00 N ATOM 1868 OXT LYS B 56 9.010 -19.638 8.889 1.00 0.00 O ATOM 0 H LYS B 56 10.895 -17.478 5.936 1.00 0.00 H new ATOM 0 HA LYS B 56 9.566 -19.224 5.756 1.00 0.00 H new ATOM 0 HB2 LYS B 56 11.394 -20.406 7.863 1.00 0.00 H new ATOM 0 HB3 LYS B 56 10.091 -21.311 7.119 1.00 0.00 H new ATOM 0 HG2 LYS B 56 11.136 -20.843 4.862 1.00 0.00 H new ATOM 0 HG3 LYS B 56 12.488 -20.097 5.691 1.00 0.00 H new ATOM 0 HD2 LYS B 56 13.010 -22.190 6.847 1.00 0.00 H new ATOM 0 HD3 LYS B 56 11.568 -22.952 6.208 1.00 0.00 H new ATOM 0 HE2 LYS B 56 13.415 -23.713 4.875 1.00 0.00 H new ATOM 0 HE3 LYS B 56 12.481 -22.614 3.879 1.00 0.00 H new ATOM 0 HZ1 LYS B 56 14.928 -22.289 3.785 1.00 0.00 H new ATOM 0 HZ2 LYS B 56 14.065 -20.891 4.216 1.00 0.00 H new ATOM 0 HZ3 LYS B 56 14.892 -21.778 5.404 1.00 0.00 H new TER 1882 LYS B 56