USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=26 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= -7.24! USER MOD Set 1.2: B 40 CYS SG : rot -5:sc= -4.8! USER MOD Set 2.1: A 50 ASN : amide:sc= 0.0805 K(o=0.85,f=-0.39) USER MOD Set 2.2: A 53 LYS NZ :NH3+ -137:sc= 0.768 (180deg=0.162) USER MOD Set 3.1: A 19 GLN : amide:sc= 0.798 K(o=0.88,f=-1.9!) USER MOD Set 3.2: B 6 LYS NZ :NH3+ -175:sc= 0.082 (180deg=0) 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 9 ASN : amide:sc= -0.807 K(o=-0.81,f=-3.2!) USER MOD Single : A 12 LYS NZ :NH3+ 158:sc= 0.239 (180deg=0.0234) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 HIS :FLIP no HD1:sc= -5.21! C(o=-5.9!,f=-5.2!) USER MOD Single : A 26 MET CE :methyl -160:sc= -0.174 (180deg=-0.858) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 160:sc= 1.28 (180deg=1.19) USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 35 THR OG1 : rot -71:sc= 1.27 USER MOD Single : A 37 SER OG : rot -104:sc= 1.22 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.321 X(o=-0.32,f=-0.44) USER MOD Single : A 54 GLN : amide:sc= 1.14 K(o=1.1,f=-0.62) USER MOD Single : A 55 LYS NZ :NH3+ 168:sc= -0.0121 (180deg=-0.183) USER MOD Single : A 56 LYS NZ :NH3+ -175:sc= 0.361 (180deg=0.297) USER MOD Single : B 5 TYR OH : rot 180:sc= 0 USER MOD Single : B 9 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 GLN : amide:sc= 1.23 K(o=1.2,f=-0.11) USER MOD Single : B 22 HIS :FLIP no HD1:sc= -0.303 F(o=-1.1,f=-0.3) USER MOD Single : B 26 MET CE :methyl -160:sc= -0.204 (180deg=-0.764) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ -149:sc= 1.17 (180deg=-0.0104) USER MOD Single : B 33 ASN : amide:sc= -0.0434 K(o=-0.043,f=-1.1) USER MOD Single : B 35 THR OG1 : rot -82:sc= 1.26 USER MOD Single : B 37 SER OG : rot -136:sc= 1.29 USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 TYR OH : rot 180:sc= 0 USER MOD Single : B 50 ASN : amide:sc= 1.22 K(o=1.2,f=-0.088) USER MOD Single : B 51 HIS : no HD1:sc= 0.481 K(o=0.48,f=-2.1!) USER MOD Single : B 53 LYS NZ :NH3+ -179:sc= 1.26 (180deg=1.24) USER MOD Single : B 54 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : B 55 LYS NZ :NH3+ 168:sc=-0.00206 (180deg=-0.146) USER MOD Single : B 56 LYS NZ :NH3+ -157:sc= 1.26 (180deg=0.863) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -22.634 14.167 -9.505 1.00 0.00 N ATOM 2 CA GLY A 2 -22.270 15.447 -8.846 1.00 0.00 C ATOM 3 C GLY A 2 -21.389 15.237 -7.630 1.00 0.00 C ATOM 4 O GLY A 2 -21.886 15.195 -6.503 1.00 0.00 O ATOM 0 HA2 GLY A 2 -21.753 16.087 -9.561 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -23.178 15.971 -8.548 1.00 0.00 H new ATOM 10 N ARG A 3 -20.079 15.124 -7.868 1.00 0.00 N ATOM 11 CA ARG A 3 -19.092 14.877 -6.811 1.00 0.00 C ATOM 12 C ARG A 3 -19.315 13.518 -6.150 1.00 0.00 C ATOM 13 O ARG A 3 -20.256 13.339 -5.373 1.00 0.00 O ATOM 14 CB ARG A 3 -19.122 15.984 -5.753 1.00 0.00 C ATOM 15 CG ARG A 3 -18.681 17.345 -6.267 1.00 0.00 C ATOM 16 CD ARG A 3 -18.862 18.421 -5.207 1.00 0.00 C ATOM 17 NE ARG A 3 -20.274 18.638 -4.893 1.00 0.00 N ATOM 18 CZ ARG A 3 -20.735 19.078 -3.718 1.00 0.00 C ATOM 19 NH1 ARG A 3 -19.905 19.393 -2.728 1.00 0.00 N ATOM 20 NH2 ARG A 3 -22.042 19.206 -3.532 1.00 0.00 N ATOM 0 H ARG A 3 -19.672 15.201 -8.800 1.00 0.00 H new ATOM 0 HA ARG A 3 -18.110 14.875 -7.283 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -20.135 16.067 -5.358 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -18.478 15.695 -4.922 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -17.634 17.301 -6.568 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -19.258 17.605 -7.155 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -18.328 18.133 -4.301 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -18.419 19.354 -5.556 1.00 0.00 H new ATOM 0 HE ARG A 3 -20.957 18.439 -5.624 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -18.898 19.301 -2.858 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -20.276 19.727 -1.838 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -22.690 18.969 -4.284 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -22.399 19.541 -2.637 1.00 0.00 H new ATOM 34 N PRO A 4 -18.454 12.539 -6.470 1.00 0.00 N ATOM 35 CA PRO A 4 -18.517 11.190 -5.895 1.00 0.00 C ATOM 36 C PRO A 4 -18.213 11.185 -4.400 1.00 0.00 C ATOM 37 O PRO A 4 -17.058 11.024 -3.994 1.00 0.00 O ATOM 38 CB PRO A 4 -17.436 10.411 -6.659 1.00 0.00 C ATOM 39 CG PRO A 4 -17.112 11.246 -7.851 1.00 0.00 C ATOM 40 CD PRO A 4 -17.354 12.667 -7.436 1.00 0.00 C ATOM 0 HA PRO A 4 -19.514 10.759 -5.991 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -16.554 10.253 -6.039 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -17.797 9.426 -6.956 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -16.077 11.100 -8.160 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -17.739 10.975 -8.700 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -16.468 13.113 -6.984 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -17.630 13.295 -8.283 1.00 0.00 H new ATOM 48 N TYR A 5 -19.264 11.363 -3.601 1.00 0.00 N ATOM 49 CA TYR A 5 -19.176 11.412 -2.139 1.00 0.00 C ATOM 50 C TYR A 5 -18.338 12.601 -1.668 1.00 0.00 C ATOM 51 O TYR A 5 -18.876 13.635 -1.271 1.00 0.00 O ATOM 52 CB TYR A 5 -18.597 10.113 -1.562 1.00 0.00 C ATOM 53 CG TYR A 5 -19.342 8.866 -1.972 1.00 0.00 C ATOM 54 CD1 TYR A 5 -20.660 8.654 -1.589 1.00 0.00 C ATOM 55 CD2 TYR A 5 -18.724 7.901 -2.751 1.00 0.00 C ATOM 56 CE1 TYR A 5 -21.335 7.513 -1.970 1.00 0.00 C ATOM 57 CE2 TYR A 5 -19.392 6.761 -3.136 1.00 0.00 C ATOM 58 CZ TYR A 5 -20.695 6.571 -2.745 1.00 0.00 C ATOM 59 OH TYR A 5 -21.362 5.434 -3.132 1.00 0.00 O ATOM 0 H TYR A 5 -20.214 11.479 -3.954 1.00 0.00 H new ATOM 0 HA TYR A 5 -20.195 11.532 -1.770 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -17.557 10.021 -1.876 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -18.596 10.181 -0.474 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -21.164 9.393 -0.984 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -17.700 8.046 -3.062 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -22.359 7.359 -1.663 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -18.894 6.019 -3.743 1.00 0.00 H new ATOM 0 HH TYR A 5 -20.768 4.875 -3.675 1.00 0.00 H new ATOM 69 N LYS A 6 -17.024 12.442 -1.718 1.00 0.00 N ATOM 70 CA LYS A 6 -16.102 13.465 -1.246 1.00 0.00 C ATOM 71 C LYS A 6 -15.436 14.156 -2.426 1.00 0.00 C ATOM 72 O LYS A 6 -15.685 15.328 -2.700 1.00 0.00 O ATOM 73 CB LYS A 6 -15.044 12.839 -0.336 1.00 0.00 C ATOM 74 CG LYS A 6 -15.633 11.907 0.712 1.00 0.00 C ATOM 75 CD LYS A 6 -14.571 11.368 1.653 1.00 0.00 C ATOM 76 CE LYS A 6 -15.153 10.353 2.623 1.00 0.00 C ATOM 77 NZ LYS A 6 -14.139 9.879 3.596 1.00 0.00 N ATOM 0 H LYS A 6 -16.569 11.606 -2.084 1.00 0.00 H new ATOM 0 HA LYS A 6 -16.662 14.207 -0.676 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -14.331 12.285 -0.946 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.488 13.632 0.164 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -16.390 12.440 1.287 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -16.135 11.076 0.217 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -13.772 10.904 1.075 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -14.125 12.192 2.210 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -15.990 10.800 3.159 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -15.548 9.503 2.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.573 9.188 4.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.352 9.430 3.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -13.780 10.686 4.144 1.00 0.00 H new ATOM 91 N LEU A 7 -14.604 13.408 -3.134 1.00 0.00 N ATOM 92 CA LEU A 7 -13.895 13.936 -4.290 1.00 0.00 C ATOM 93 C LEU A 7 -13.752 12.857 -5.355 1.00 0.00 C ATOM 94 O LEU A 7 -14.437 12.888 -6.370 1.00 0.00 O ATOM 95 CB LEU A 7 -12.512 14.459 -3.894 1.00 0.00 C ATOM 96 CG LEU A 7 -11.697 15.059 -5.043 1.00 0.00 C ATOM 97 CD1 LEU A 7 -12.321 16.360 -5.527 1.00 0.00 C ATOM 98 CD2 LEU A 7 -10.255 15.277 -4.616 1.00 0.00 C ATOM 0 H LEU A 7 -14.402 12.430 -2.927 1.00 0.00 H new ATOM 0 HA LEU A 7 -14.475 14.766 -4.692 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -12.634 15.217 -3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -11.943 13.641 -3.452 1.00 0.00 H new ATOM 0 HG LEU A 7 -11.705 14.353 -5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -11.725 16.768 -6.343 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -13.335 16.169 -5.878 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -12.351 17.077 -4.706 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.691 15.704 -5.445 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -10.226 15.960 -3.767 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.812 14.323 -4.329 1.00 0.00 H new ATOM 110 N LEU A 8 -12.861 11.903 -5.106 1.00 0.00 N ATOM 111 CA LEU A 8 -12.626 10.805 -6.041 1.00 0.00 C ATOM 112 C LEU A 8 -12.442 9.494 -5.288 1.00 0.00 C ATOM 113 O LEU A 8 -11.969 8.504 -5.843 1.00 0.00 O ATOM 114 CB LEU A 8 -11.389 11.086 -6.904 1.00 0.00 C ATOM 115 CG LEU A 8 -11.521 12.253 -7.885 1.00 0.00 C ATOM 116 CD1 LEU A 8 -10.189 12.536 -8.555 1.00 0.00 C ATOM 117 CD2 LEU A 8 -12.584 11.951 -8.932 1.00 0.00 C ATOM 0 H LEU A 8 -12.288 11.867 -4.263 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.497 10.721 -6.691 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.544 11.283 -6.244 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.149 10.185 -7.469 1.00 0.00 H new ATOM 0 HG LEU A 8 -11.825 13.139 -7.327 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -10.301 13.369 -9.249 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.448 12.792 -7.798 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.860 11.651 -9.100 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -12.665 12.791 -9.621 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -12.306 11.054 -9.485 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -13.544 11.791 -8.441 1.00 0.00 H new ATOM 129 N ASN A 9 -12.829 9.513 -4.011 1.00 0.00 N ATOM 130 CA ASN A 9 -12.750 8.338 -3.139 1.00 0.00 C ATOM 131 C ASN A 9 -11.322 7.818 -3.028 1.00 0.00 C ATOM 132 O ASN A 9 -11.010 6.709 -3.460 1.00 0.00 O ATOM 133 CB ASN A 9 -13.696 7.240 -3.627 1.00 0.00 C ATOM 134 CG ASN A 9 -15.146 7.639 -3.468 1.00 0.00 C ATOM 135 OD1 ASN A 9 -15.499 8.375 -2.547 1.00 0.00 O ATOM 136 ND2 ASN A 9 -15.992 7.179 -4.371 1.00 0.00 N ATOM 0 H ASN A 9 -13.206 10.342 -3.552 1.00 0.00 H new ATOM 0 HA ASN A 9 -13.064 8.643 -2.141 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -13.491 7.023 -4.675 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -13.508 6.323 -3.069 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -16.979 7.432 -4.321 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -15.659 6.571 -5.119 1.00 0.00 H new ATOM 143 N GLY A 10 -10.474 8.627 -2.414 1.00 0.00 N ATOM 144 CA GLY A 10 -9.083 8.270 -2.224 1.00 0.00 C ATOM 145 C GLY A 10 -8.467 9.111 -1.135 1.00 0.00 C ATOM 146 O GLY A 10 -8.569 10.340 -1.163 1.00 0.00 O ATOM 0 H GLY A 10 -10.730 9.540 -2.038 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.004 7.214 -1.965 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.534 8.411 -3.155 1.00 0.00 H new ATOM 150 N ILE A 11 -7.839 8.462 -0.171 1.00 0.00 N ATOM 151 CA ILE A 11 -7.396 9.150 1.030 1.00 0.00 C ATOM 152 C ILE A 11 -5.877 9.149 1.118 1.00 0.00 C ATOM 153 O ILE A 11 -5.229 8.160 0.766 1.00 0.00 O ATOM 154 CB ILE A 11 -7.983 8.497 2.301 1.00 0.00 C ATOM 155 CG1 ILE A 11 -9.498 8.298 2.167 1.00 0.00 C ATOM 156 CG2 ILE A 11 -7.675 9.346 3.527 1.00 0.00 C ATOM 157 CD1 ILE A 11 -10.275 9.591 2.029 1.00 0.00 C ATOM 0 H ILE A 11 -7.625 7.465 -0.195 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.755 10.177 0.968 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.517 7.519 2.422 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.697 7.671 1.298 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.863 7.757 3.040 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.096 8.871 4.413 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.595 9.439 3.643 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.113 10.336 3.403 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.338 9.369 1.939 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.107 10.212 2.909 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.939 10.124 1.139 1.00 0.00 H new ATOM 169 N LYS A 12 -5.320 10.254 1.599 1.00 0.00 N ATOM 170 CA LYS A 12 -3.879 10.408 1.694 1.00 0.00 C ATOM 171 C LYS A 12 -3.428 10.165 3.124 1.00 0.00 C ATOM 172 O LYS A 12 -3.875 10.842 4.054 1.00 0.00 O ATOM 173 CB LYS A 12 -3.465 11.814 1.259 1.00 0.00 C ATOM 174 CG LYS A 12 -1.959 12.022 1.182 1.00 0.00 C ATOM 175 CD LYS A 12 -1.347 11.290 -0.003 1.00 0.00 C ATOM 176 CE LYS A 12 0.154 11.511 -0.065 1.00 0.00 C ATOM 177 NZ LYS A 12 0.753 11.003 -1.330 1.00 0.00 N ATOM 0 H LYS A 12 -5.851 11.059 1.930 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.406 9.680 1.035 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.900 12.023 0.282 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.886 12.538 1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.743 13.087 1.102 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.496 11.671 2.104 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.558 10.224 0.076 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -1.808 11.639 -0.927 1.00 0.00 H new ATOM 0 HE2 LYS A 12 0.366 12.576 0.031 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.627 11.014 0.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 1.659 11.484 -1.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 0.914 9.979 -1.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 0.105 11.192 -2.121 1.00 0.00 H new ATOM 191 N LEU A 13 -2.553 9.192 3.289 1.00 0.00 N ATOM 192 CA LEU A 13 -2.043 8.826 4.598 1.00 0.00 C ATOM 193 C LEU A 13 -0.533 8.988 4.641 1.00 0.00 C ATOM 194 O LEU A 13 0.175 8.554 3.734 1.00 0.00 O ATOM 195 CB LEU A 13 -2.441 7.384 4.952 1.00 0.00 C ATOM 196 CG LEU A 13 -2.324 6.359 3.815 1.00 0.00 C ATOM 197 CD1 LEU A 13 -2.100 4.966 4.380 1.00 0.00 C ATOM 198 CD2 LEU A 13 -3.582 6.370 2.951 1.00 0.00 C ATOM 0 H LEU A 13 -2.176 8.634 2.523 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.485 9.493 5.338 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.819 7.049 5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.472 7.389 5.307 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.470 6.633 3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.019 4.250 3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.180 4.954 4.965 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.940 4.693 5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.480 5.637 2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.447 6.119 3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.718 7.362 2.520 1.00 0.00 H new ATOM 210 N GLY A 14 -0.053 9.627 5.695 1.00 0.00 N ATOM 211 CA GLY A 14 1.363 9.880 5.831 1.00 0.00 C ATOM 212 C GLY A 14 2.014 8.935 6.813 1.00 0.00 C ATOM 213 O GLY A 14 1.477 8.681 7.893 1.00 0.00 O ATOM 0 H GLY A 14 -0.624 9.977 6.464 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.844 9.780 4.858 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.518 10.908 6.159 1.00 0.00 H new ATOM 217 N VAL A 15 3.171 8.410 6.443 1.00 0.00 N ATOM 218 CA VAL A 15 3.868 7.433 7.267 1.00 0.00 C ATOM 219 C VAL A 15 5.298 7.902 7.536 1.00 0.00 C ATOM 220 O VAL A 15 5.787 8.823 6.876 1.00 0.00 O ATOM 221 CB VAL A 15 3.910 6.044 6.577 1.00 0.00 C ATOM 222 CG1 VAL A 15 4.234 4.940 7.576 1.00 0.00 C ATOM 223 CG2 VAL A 15 2.601 5.742 5.860 1.00 0.00 C ATOM 0 H VAL A 15 3.650 8.645 5.574 1.00 0.00 H new ATOM 0 HA VAL A 15 3.324 7.340 8.207 1.00 0.00 H new ATOM 0 HB VAL A 15 4.706 6.077 5.833 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.256 3.979 7.062 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.207 5.132 8.028 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.471 4.918 8.354 1.00 0.00 H new ATOM 0 HG21 VAL A 15 2.663 4.762 5.387 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.782 5.746 6.580 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.419 6.501 5.099 1.00 0.00 H new ATOM 233 N TYR A 16 5.957 7.275 8.502 1.00 0.00 N ATOM 234 CA TYR A 16 7.363 7.537 8.775 1.00 0.00 C ATOM 235 C TYR A 16 8.127 6.235 8.954 1.00 0.00 C ATOM 236 O TYR A 16 7.796 5.418 9.816 1.00 0.00 O ATOM 237 CB TYR A 16 7.536 8.411 10.014 1.00 0.00 C ATOM 238 CG TYR A 16 7.683 9.875 9.695 1.00 0.00 C ATOM 239 CD1 TYR A 16 8.758 10.323 8.944 1.00 0.00 C ATOM 240 CD2 TYR A 16 6.754 10.804 10.136 1.00 0.00 C ATOM 241 CE1 TYR A 16 8.908 11.656 8.638 1.00 0.00 C ATOM 242 CE2 TYR A 16 6.896 12.145 9.837 1.00 0.00 C ATOM 243 CZ TYR A 16 7.975 12.567 9.086 1.00 0.00 C ATOM 244 OH TYR A 16 8.120 13.904 8.787 1.00 0.00 O ATOM 0 H TYR A 16 5.535 6.576 9.114 1.00 0.00 H new ATOM 0 HA TYR A 16 7.767 8.073 7.917 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.676 8.274 10.670 1.00 0.00 H new ATOM 0 HB3 TYR A 16 8.414 8.077 10.566 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.492 9.613 8.592 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.908 10.475 10.721 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.752 11.987 8.050 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.167 12.860 10.189 1.00 0.00 H new ATOM 0 HH TYR A 16 7.376 14.409 9.177 1.00 0.00 H new ATOM 254 N ILE A 17 9.143 6.045 8.124 1.00 0.00 N ATOM 255 CA ILE A 17 9.939 4.825 8.139 1.00 0.00 C ATOM 256 C ILE A 17 11.405 5.148 7.873 1.00 0.00 C ATOM 257 O ILE A 17 11.708 6.145 7.218 1.00 0.00 O ATOM 258 CB ILE A 17 9.450 3.818 7.078 1.00 0.00 C ATOM 259 CG1 ILE A 17 9.466 4.467 5.690 1.00 0.00 C ATOM 260 CG2 ILE A 17 8.059 3.306 7.424 1.00 0.00 C ATOM 261 CD1 ILE A 17 9.003 3.560 4.569 1.00 0.00 C ATOM 0 H ILE A 17 9.438 6.727 7.425 1.00 0.00 H new ATOM 0 HA ILE A 17 9.828 4.377 9.126 1.00 0.00 H new ATOM 0 HB ILE A 17 10.127 2.964 7.067 1.00 0.00 H new ATOM 0 HG12 ILE A 17 8.831 5.353 5.709 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.479 4.805 5.472 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.733 2.597 6.663 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.085 2.811 8.395 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.362 4.143 7.462 1.00 0.00 H new ATOM 0 HD11 ILE A 17 9.046 4.100 3.623 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.651 2.685 4.518 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.978 3.242 4.758 1.00 0.00 H new ATOM 273 N PRO A 18 12.331 4.307 8.363 1.00 0.00 N ATOM 274 CA PRO A 18 13.776 4.535 8.220 1.00 0.00 C ATOM 275 C PRO A 18 14.218 4.680 6.763 1.00 0.00 C ATOM 276 O PRO A 18 13.598 4.120 5.853 1.00 0.00 O ATOM 277 CB PRO A 18 14.406 3.286 8.842 1.00 0.00 C ATOM 278 CG PRO A 18 13.360 2.742 9.751 1.00 0.00 C ATOM 279 CD PRO A 18 12.045 3.064 9.103 1.00 0.00 C ATOM 0 HA PRO A 18 14.077 5.467 8.698 1.00 0.00 H new ATOM 0 HB2 PRO A 18 14.681 2.560 8.077 1.00 0.00 H new ATOM 0 HB3 PRO A 18 15.316 3.533 9.389 1.00 0.00 H new ATOM 0 HG2 PRO A 18 13.478 1.666 9.883 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.429 3.194 10.741 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.717 2.265 8.438 1.00 0.00 H new ATOM 0 HD3 PRO A 18 11.256 3.207 9.842 1.00 0.00 H new ATOM 287 N GLN A 19 15.297 5.430 6.556 1.00 0.00 N ATOM 288 CA GLN A 19 15.839 5.661 5.219 1.00 0.00 C ATOM 289 C GLN A 19 16.159 4.345 4.511 1.00 0.00 C ATOM 290 O GLN A 19 15.805 4.161 3.352 1.00 0.00 O ATOM 291 CB GLN A 19 17.096 6.533 5.304 1.00 0.00 C ATOM 292 CG GLN A 19 17.811 6.730 3.974 1.00 0.00 C ATOM 293 CD GLN A 19 16.937 7.382 2.916 1.00 0.00 C ATOM 294 OE1 GLN A 19 16.887 8.602 2.805 1.00 0.00 O ATOM 295 NE2 GLN A 19 16.256 6.572 2.124 1.00 0.00 N ATOM 0 H GLN A 19 15.817 5.891 7.303 1.00 0.00 H new ATOM 0 HA GLN A 19 15.080 6.180 4.634 1.00 0.00 H new ATOM 0 HB2 GLN A 19 16.821 7.509 5.704 1.00 0.00 H new ATOM 0 HB3 GLN A 19 17.790 6.082 6.013 1.00 0.00 H new ATOM 0 HG2 GLN A 19 18.697 7.344 4.133 1.00 0.00 H new ATOM 0 HG3 GLN A 19 18.155 5.763 3.607 1.00 0.00 H new ATOM 0 HE21 GLN A 19 16.324 5.562 2.248 1.00 0.00 H new ATOM 0 HE22 GLN A 19 15.663 6.957 1.389 1.00 0.00 H new ATOM 304 N GLU A 20 16.818 3.432 5.216 1.00 0.00 N ATOM 305 CA GLU A 20 17.193 2.142 4.639 1.00 0.00 C ATOM 306 C GLU A 20 15.968 1.360 4.157 1.00 0.00 C ATOM 307 O GLU A 20 16.059 0.566 3.221 1.00 0.00 O ATOM 308 CB GLU A 20 17.993 1.317 5.649 1.00 0.00 C ATOM 309 CG GLU A 20 19.310 1.971 6.050 1.00 0.00 C ATOM 310 CD GLU A 20 20.287 2.107 4.892 1.00 0.00 C ATOM 311 OE1 GLU A 20 20.044 2.939 3.995 1.00 0.00 O ATOM 312 OE2 GLU A 20 21.305 1.381 4.871 1.00 0.00 O ATOM 0 H GLU A 20 17.104 3.559 6.187 1.00 0.00 H new ATOM 0 HA GLU A 20 17.820 2.339 3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 20 17.387 1.159 6.541 1.00 0.00 H new ATOM 0 HB3 GLU A 20 18.197 0.334 5.225 1.00 0.00 H new ATOM 0 HG2 GLU A 20 19.107 2.959 6.464 1.00 0.00 H new ATOM 0 HG3 GLU A 20 19.774 1.383 6.842 1.00 0.00 H new ATOM 319 N TRP A 21 14.814 1.623 4.761 1.00 0.00 N ATOM 320 CA TRP A 21 13.589 0.927 4.385 1.00 0.00 C ATOM 321 C TRP A 21 12.980 1.621 3.172 1.00 0.00 C ATOM 322 O TRP A 21 12.570 0.969 2.218 1.00 0.00 O ATOM 323 CB TRP A 21 12.599 0.916 5.560 1.00 0.00 C ATOM 324 CG TRP A 21 11.761 -0.329 5.653 1.00 0.00 C ATOM 325 CD1 TRP A 21 12.211 -1.616 5.730 1.00 0.00 C ATOM 326 CD2 TRP A 21 10.331 -0.406 5.711 1.00 0.00 C ATOM 327 NE1 TRP A 21 11.148 -2.484 5.833 1.00 0.00 N ATOM 328 CE2 TRP A 21 9.985 -1.766 5.821 1.00 0.00 C ATOM 329 CE3 TRP A 21 9.313 0.541 5.680 1.00 0.00 C ATOM 330 CZ2 TRP A 21 8.660 -2.194 5.900 1.00 0.00 C ATOM 331 CZ3 TRP A 21 8.001 0.119 5.758 1.00 0.00 C ATOM 332 CH2 TRP A 21 7.683 -1.236 5.869 1.00 0.00 C ATOM 0 H TRP A 21 14.701 2.308 5.508 1.00 0.00 H new ATOM 0 HA TRP A 21 13.817 -0.108 4.131 1.00 0.00 H new ATOM 0 HB2 TRP A 21 13.156 1.035 6.490 1.00 0.00 H new ATOM 0 HB3 TRP A 21 11.938 1.778 5.471 1.00 0.00 H new ATOM 0 HD1 TRP A 21 13.250 -1.910 5.713 1.00 0.00 H new ATOM 0 HE1 TRP A 21 11.217 -3.499 5.906 1.00 0.00 H new ATOM 0 HE3 TRP A 21 9.546 1.592 5.596 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 8.414 -3.242 5.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 7.206 0.850 5.733 1.00 0.00 H new ATOM 0 HH2 TRP A 21 6.647 -1.534 5.932 1.00 0.00 H new ATOM 343 N HIS A 22 12.956 2.955 3.212 1.00 0.00 N ATOM 344 CA HIS A 22 12.565 3.768 2.057 1.00 0.00 C ATOM 345 C HIS A 22 13.358 3.353 0.820 1.00 0.00 C ATOM 346 O HIS A 22 12.797 3.071 -0.237 1.00 0.00 O ATOM 347 CB HIS A 22 12.853 5.249 2.338 1.00 0.00 C ATOM 348 CG HIS A 22 11.646 6.131 2.383 1.00 0.00 C ATOM 349 ND1 HIS A 22 10.758 6.353 3.372 1.00 0.00 N flip ATOM 350 CD2 HIS A 22 11.262 6.945 1.338 1.00 0.00 C flip ATOM 351 CE1 HIS A 22 9.863 7.290 2.919 1.00 0.00 C flip ATOM 352 NE2 HIS A 22 10.190 7.629 1.687 1.00 0.00 N flip ATOM 0 H HIS A 22 13.205 3.499 4.038 1.00 0.00 H new ATOM 0 HA HIS A 22 11.500 3.617 1.881 1.00 0.00 H new ATOM 0 HB2 HIS A 22 13.377 5.327 3.291 1.00 0.00 H new ATOM 0 HB3 HIS A 22 13.530 5.624 1.570 1.00 0.00 H new ATOM 0 HD2 HIS A 22 11.761 7.012 0.383 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.028 7.685 3.479 1.00 0.00 H new ATOM 0 HE2 HIS A 22 9.697 8.305 1.103 1.00 0.00 H new ATOM 361 N ASP A 23 14.670 3.316 0.994 1.00 0.00 N ATOM 362 CA ASP A 23 15.614 3.074 -0.092 1.00 0.00 C ATOM 363 C ASP A 23 15.418 1.699 -0.729 1.00 0.00 C ATOM 364 O ASP A 23 15.428 1.571 -1.950 1.00 0.00 O ATOM 365 CB ASP A 23 17.039 3.215 0.446 1.00 0.00 C ATOM 366 CG ASP A 23 18.090 3.112 -0.635 1.00 0.00 C ATOM 367 OD1 ASP A 23 18.186 4.036 -1.471 1.00 0.00 O ATOM 368 OD2 ASP A 23 18.848 2.124 -0.634 1.00 0.00 O ATOM 0 H ASP A 23 15.116 3.454 1.901 1.00 0.00 H new ATOM 0 HA ASP A 23 15.434 3.812 -0.873 1.00 0.00 H new ATOM 0 HB2 ASP A 23 17.138 4.176 0.951 1.00 0.00 H new ATOM 0 HB3 ASP A 23 17.218 2.442 1.194 1.00 0.00 H new ATOM 373 N ARG A 24 15.214 0.677 0.098 1.00 0.00 N ATOM 374 CA ARG A 24 15.053 -0.688 -0.407 1.00 0.00 C ATOM 375 C ARG A 24 13.670 -0.887 -1.001 1.00 0.00 C ATOM 376 O ARG A 24 13.487 -1.715 -1.897 1.00 0.00 O ATOM 377 CB ARG A 24 15.315 -1.712 0.700 1.00 0.00 C ATOM 378 CG ARG A 24 16.785 -2.080 0.881 1.00 0.00 C ATOM 379 CD ARG A 24 17.676 -0.853 0.951 1.00 0.00 C ATOM 380 NE ARG A 24 18.954 -1.132 1.601 1.00 0.00 N ATOM 381 CZ ARG A 24 19.667 -0.214 2.250 1.00 0.00 C ATOM 382 NH1 ARG A 24 19.346 1.074 2.150 1.00 0.00 N ATOM 383 NH2 ARG A 24 20.734 -0.576 2.948 1.00 0.00 N ATOM 0 H ARG A 24 15.156 0.764 1.113 1.00 0.00 H new ATOM 0 HA ARG A 24 15.788 -0.842 -1.197 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.933 -1.317 1.641 1.00 0.00 H new ATOM 0 HB3 ARG A 24 14.750 -2.618 0.482 1.00 0.00 H new ATOM 0 HG2 ARG A 24 16.902 -2.665 1.793 1.00 0.00 H new ATOM 0 HG3 ARG A 24 17.105 -2.713 0.053 1.00 0.00 H new ATOM 0 HD2 ARG A 24 17.857 -0.481 -0.057 1.00 0.00 H new ATOM 0 HD3 ARG A 24 17.159 -0.062 1.495 1.00 0.00 H new ATOM 0 HE ARG A 24 19.320 -2.083 1.555 1.00 0.00 H new ATOM 0 HH11 ARG A 24 18.553 1.359 1.576 1.00 0.00 H new ATOM 0 HH12 ARG A 24 19.893 1.776 2.648 1.00 0.00 H new ATOM 0 HH21 ARG A 24 21.009 -1.558 2.988 1.00 0.00 H new ATOM 0 HH22 ARG A 24 21.281 0.127 3.445 1.00 0.00 H new ATOM 397 N LEU A 25 12.702 -0.121 -0.518 1.00 0.00 N ATOM 398 CA LEU A 25 11.393 -0.099 -1.146 1.00 0.00 C ATOM 399 C LEU A 25 11.522 0.459 -2.556 1.00 0.00 C ATOM 400 O LEU A 25 10.920 -0.054 -3.490 1.00 0.00 O ATOM 401 CB LEU A 25 10.401 0.750 -0.345 1.00 0.00 C ATOM 402 CG LEU A 25 9.987 0.176 1.011 1.00 0.00 C ATOM 403 CD1 LEU A 25 9.003 1.105 1.707 1.00 0.00 C ATOM 404 CD2 LEU A 25 9.384 -1.210 0.844 1.00 0.00 C ATOM 0 H LEU A 25 12.798 0.486 0.296 1.00 0.00 H new ATOM 0 HA LEU A 25 11.011 -1.120 -1.179 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.840 1.735 -0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.504 0.895 -0.948 1.00 0.00 H new ATOM 0 HG LEU A 25 10.878 0.090 1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 25 8.720 0.680 2.670 1.00 0.00 H new ATOM 0 HD12 LEU A 25 9.469 2.078 1.863 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.114 1.224 1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.096 -1.601 1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.504 -1.149 0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 25 10.119 -1.874 0.389 1.00 0.00 H new ATOM 416 N MET A 26 12.327 1.509 -2.688 1.00 0.00 N ATOM 417 CA MET A 26 12.586 2.136 -3.980 1.00 0.00 C ATOM 418 C MET A 26 13.294 1.184 -4.940 1.00 0.00 C ATOM 419 O MET A 26 13.055 1.226 -6.146 1.00 0.00 O ATOM 420 CB MET A 26 13.411 3.410 -3.800 1.00 0.00 C ATOM 421 CG MET A 26 12.674 4.504 -3.046 1.00 0.00 C ATOM 422 SD MET A 26 11.220 5.104 -3.933 1.00 0.00 S ATOM 423 CE MET A 26 11.966 5.676 -5.459 1.00 0.00 C ATOM 0 H MET A 26 12.816 1.947 -1.907 1.00 0.00 H new ATOM 0 HA MET A 26 11.621 2.393 -4.417 1.00 0.00 H new ATOM 0 HB2 MET A 26 14.330 3.167 -3.266 1.00 0.00 H new ATOM 0 HB3 MET A 26 13.702 3.787 -4.780 1.00 0.00 H new ATOM 0 HG2 MET A 26 12.369 4.125 -2.071 1.00 0.00 H new ATOM 0 HG3 MET A 26 13.354 5.337 -2.866 1.00 0.00 H new ATOM 0 HE1 MET A 26 11.294 6.378 -5.952 1.00 0.00 H new ATOM 0 HE2 MET A 26 12.911 6.173 -5.238 1.00 0.00 H new ATOM 0 HE3 MET A 26 12.148 4.826 -6.116 1.00 0.00 H new ATOM 433 N GLU A 27 14.164 0.328 -4.407 1.00 0.00 N ATOM 434 CA GLU A 27 14.850 -0.659 -5.235 1.00 0.00 C ATOM 435 C GLU A 27 13.840 -1.616 -5.841 1.00 0.00 C ATOM 436 O GLU A 27 13.819 -1.839 -7.056 1.00 0.00 O ATOM 437 CB GLU A 27 15.880 -1.452 -4.425 1.00 0.00 C ATOM 438 CG GLU A 27 16.958 -0.601 -3.781 1.00 0.00 C ATOM 439 CD GLU A 27 18.018 -1.448 -3.113 1.00 0.00 C ATOM 440 OE1 GLU A 27 17.657 -2.346 -2.326 1.00 0.00 O ATOM 441 OE2 GLU A 27 19.216 -1.240 -3.397 1.00 0.00 O ATOM 0 H GLU A 27 14.408 0.298 -3.417 1.00 0.00 H new ATOM 0 HA GLU A 27 15.375 -0.123 -6.026 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.360 -2.010 -3.646 1.00 0.00 H new ATOM 0 HB3 GLU A 27 16.354 -2.184 -5.079 1.00 0.00 H new ATOM 0 HG2 GLU A 27 17.422 0.032 -4.538 1.00 0.00 H new ATOM 0 HG3 GLU A 27 16.505 0.063 -3.044 1.00 0.00 H new ATOM 448 N ILE A 28 12.985 -2.159 -4.985 1.00 0.00 N ATOM 449 CA ILE A 28 11.933 -3.072 -5.427 1.00 0.00 C ATOM 450 C ILE A 28 10.960 -2.342 -6.350 1.00 0.00 C ATOM 451 O ILE A 28 10.440 -2.909 -7.315 1.00 0.00 O ATOM 452 CB ILE A 28 11.166 -3.665 -4.222 1.00 0.00 C ATOM 453 CG1 ILE A 28 12.138 -4.382 -3.279 1.00 0.00 C ATOM 454 CG2 ILE A 28 10.077 -4.622 -4.692 1.00 0.00 C ATOM 455 CD1 ILE A 28 11.488 -4.911 -2.017 1.00 0.00 C ATOM 0 H ILE A 28 12.997 -1.985 -3.980 1.00 0.00 H new ATOM 0 HA ILE A 28 12.404 -3.891 -5.970 1.00 0.00 H new ATOM 0 HB ILE A 28 10.689 -2.848 -3.681 1.00 0.00 H new ATOM 0 HG12 ILE A 28 12.602 -5.212 -3.813 1.00 0.00 H new ATOM 0 HG13 ILE A 28 12.937 -3.693 -3.004 1.00 0.00 H new ATOM 0 HG21 ILE A 28 9.551 -5.027 -3.828 1.00 0.00 H new ATOM 0 HG22 ILE A 28 9.372 -4.087 -5.328 1.00 0.00 H new ATOM 0 HG23 ILE A 28 10.528 -5.438 -5.257 1.00 0.00 H new ATOM 0 HD11 ILE A 28 12.239 -5.405 -1.401 1.00 0.00 H new ATOM 0 HD12 ILE A 28 11.048 -4.084 -1.460 1.00 0.00 H new ATOM 0 HD13 ILE A 28 10.708 -5.625 -2.281 1.00 0.00 H new ATOM 467 N ALA A 29 10.743 -1.070 -6.044 1.00 0.00 N ATOM 468 CA ALA A 29 9.841 -0.217 -6.801 1.00 0.00 C ATOM 469 C ALA A 29 10.320 -0.033 -8.235 1.00 0.00 C ATOM 470 O ALA A 29 9.518 0.143 -9.150 1.00 0.00 O ATOM 471 CB ALA A 29 9.706 1.130 -6.109 1.00 0.00 C ATOM 0 H ALA A 29 11.192 -0.599 -5.258 1.00 0.00 H new ATOM 0 HA ALA A 29 8.865 -0.701 -6.840 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.029 1.766 -6.680 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.307 0.985 -5.105 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.684 1.606 -6.046 1.00 0.00 H new ATOM 477 N LYS A 30 11.628 -0.098 -8.437 1.00 0.00 N ATOM 478 CA LYS A 30 12.184 0.058 -9.769 1.00 0.00 C ATOM 479 C LYS A 30 12.062 -1.235 -10.547 1.00 0.00 C ATOM 480 O LYS A 30 11.816 -1.222 -11.751 1.00 0.00 O ATOM 481 CB LYS A 30 13.649 0.491 -9.714 1.00 0.00 C ATOM 482 CG LYS A 30 13.855 1.890 -9.153 1.00 0.00 C ATOM 483 CD LYS A 30 15.284 2.368 -9.344 1.00 0.00 C ATOM 484 CE LYS A 30 16.284 1.462 -8.640 1.00 0.00 C ATOM 485 NZ LYS A 30 17.687 1.864 -8.923 1.00 0.00 N ATOM 0 H LYS A 30 12.317 -0.256 -7.702 1.00 0.00 H new ATOM 0 HA LYS A 30 11.615 0.838 -10.275 1.00 0.00 H new ATOM 0 HB2 LYS A 30 14.206 -0.221 -9.104 1.00 0.00 H new ATOM 0 HB3 LYS A 30 14.069 0.447 -10.719 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.171 2.583 -9.643 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.608 1.896 -8.091 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.515 2.406 -10.409 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.381 3.384 -8.960 1.00 0.00 H new ATOM 0 HE2 LYS A 30 16.107 1.492 -7.565 1.00 0.00 H new ATOM 0 HE3 LYS A 30 16.129 0.432 -8.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 18.339 1.224 -8.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 17.863 1.812 -9.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 17.842 2.839 -8.594 1.00 0.00 H new ATOM 499 N GLU A 31 12.232 -2.348 -9.851 1.00 0.00 N ATOM 500 CA GLU A 31 12.077 -3.659 -10.463 1.00 0.00 C ATOM 501 C GLU A 31 10.643 -3.857 -10.946 1.00 0.00 C ATOM 502 O GLU A 31 10.402 -4.242 -12.086 1.00 0.00 O ATOM 503 CB GLU A 31 12.413 -4.769 -9.467 1.00 0.00 C ATOM 504 CG GLU A 31 13.779 -4.658 -8.820 1.00 0.00 C ATOM 505 CD GLU A 31 14.017 -5.792 -7.845 1.00 0.00 C ATOM 506 OE1 GLU A 31 13.154 -6.020 -6.971 1.00 0.00 O ATOM 507 OE2 GLU A 31 15.051 -6.488 -7.968 1.00 0.00 O ATOM 0 H GLU A 31 12.478 -2.370 -8.861 1.00 0.00 H new ATOM 0 HA GLU A 31 12.763 -3.709 -11.308 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.656 -4.774 -8.683 1.00 0.00 H new ATOM 0 HB3 GLU A 31 12.348 -5.729 -9.980 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.551 -4.669 -9.590 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.861 -3.704 -8.299 1.00 0.00 H new ATOM 514 N LYS A 32 9.695 -3.553 -10.070 1.00 0.00 N ATOM 515 CA LYS A 32 8.290 -3.881 -10.300 1.00 0.00 C ATOM 516 C LYS A 32 7.541 -2.743 -10.990 1.00 0.00 C ATOM 517 O LYS A 32 6.366 -2.887 -11.336 1.00 0.00 O ATOM 518 CB LYS A 32 7.599 -4.232 -8.973 1.00 0.00 C ATOM 519 CG LYS A 32 7.881 -5.642 -8.449 1.00 0.00 C ATOM 520 CD LYS A 32 9.366 -5.904 -8.233 1.00 0.00 C ATOM 521 CE LYS A 32 9.608 -7.233 -7.537 1.00 0.00 C ATOM 522 NZ LYS A 32 11.045 -7.621 -7.563 1.00 0.00 N ATOM 0 H LYS A 32 9.873 -3.076 -9.186 1.00 0.00 H new ATOM 0 HA LYS A 32 8.265 -4.745 -10.964 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.910 -3.511 -8.217 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.523 -4.116 -9.100 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.350 -5.788 -7.508 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.486 -6.373 -9.155 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.880 -5.898 -9.194 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.795 -5.098 -7.637 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.268 -7.168 -6.503 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.014 -8.009 -8.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.229 -8.323 -6.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.277 -8.032 -8.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.635 -6.780 -7.400 1.00 0.00 H new ATOM 536 N ASN A 33 8.238 -1.619 -11.191 1.00 0.00 N ATOM 537 CA ASN A 33 7.664 -0.419 -11.811 1.00 0.00 C ATOM 538 C ASN A 33 6.512 0.124 -10.972 1.00 0.00 C ATOM 539 O ASN A 33 5.413 0.371 -11.470 1.00 0.00 O ATOM 540 CB ASN A 33 7.209 -0.703 -13.250 1.00 0.00 C ATOM 541 CG ASN A 33 8.371 -1.015 -14.178 1.00 0.00 C ATOM 542 OD1 ASN A 33 9.481 -0.515 -13.991 1.00 0.00 O ATOM 543 ND2 ASN A 33 8.124 -1.843 -15.180 1.00 0.00 N ATOM 0 H ASN A 33 9.218 -1.515 -10.928 1.00 0.00 H new ATOM 0 HA ASN A 33 8.442 0.343 -11.853 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.514 -1.543 -13.249 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.665 0.161 -13.632 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.868 -2.089 -15.833 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.190 -2.235 -15.299 1.00 0.00 H new ATOM 550 N LEU A 34 6.797 0.316 -9.697 1.00 0.00 N ATOM 551 CA LEU A 34 5.817 0.756 -8.715 1.00 0.00 C ATOM 552 C LEU A 34 6.427 1.852 -7.853 1.00 0.00 C ATOM 553 O LEU A 34 7.623 2.111 -7.942 1.00 0.00 O ATOM 554 CB LEU A 34 5.396 -0.420 -7.826 1.00 0.00 C ATOM 555 CG LEU A 34 4.695 -1.574 -8.546 1.00 0.00 C ATOM 556 CD1 LEU A 34 4.484 -2.739 -7.594 1.00 0.00 C ATOM 557 CD2 LEU A 34 3.365 -1.115 -9.124 1.00 0.00 C ATOM 0 H LEU A 34 7.728 0.169 -9.307 1.00 0.00 H new ATOM 0 HA LEU A 34 4.938 1.140 -9.233 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.283 -0.811 -7.328 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.732 -0.044 -7.047 1.00 0.00 H new ATOM 0 HG LEU A 34 5.331 -1.905 -9.367 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.984 -3.553 -8.120 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.449 -3.085 -7.223 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.867 -2.416 -6.755 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.882 -1.950 -9.632 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.722 -0.759 -8.319 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.537 -0.307 -9.836 1.00 0.00 H new ATOM 569 N THR A 35 5.611 2.530 -7.063 1.00 0.00 N ATOM 570 CA THR A 35 6.139 3.443 -6.063 1.00 0.00 C ATOM 571 C THR A 35 6.012 2.808 -4.683 1.00 0.00 C ATOM 572 O THR A 35 5.283 1.826 -4.526 1.00 0.00 O ATOM 573 CB THR A 35 5.425 4.814 -6.071 1.00 0.00 C ATOM 574 OG1 THR A 35 4.026 4.657 -5.804 1.00 0.00 O ATOM 575 CG2 THR A 35 5.617 5.513 -7.408 1.00 0.00 C ATOM 0 H THR A 35 4.593 2.467 -7.093 1.00 0.00 H new ATOM 0 HA THR A 35 7.186 3.625 -6.307 1.00 0.00 H new ATOM 0 HB THR A 35 5.868 5.427 -5.286 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.591 4.236 -6.575 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.106 6.476 -7.392 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.681 5.669 -7.587 1.00 0.00 H new ATOM 0 HG23 THR A 35 5.202 4.895 -8.204 1.00 0.00 H new ATOM 583 N LEU A 36 6.710 3.344 -3.690 1.00 0.00 N ATOM 584 CA LEU A 36 6.652 2.782 -2.341 1.00 0.00 C ATOM 585 C LEU A 36 5.220 2.807 -1.809 1.00 0.00 C ATOM 586 O LEU A 36 4.792 1.899 -1.092 1.00 0.00 O ATOM 587 CB LEU A 36 7.620 3.523 -1.403 1.00 0.00 C ATOM 588 CG LEU A 36 7.470 5.048 -1.325 1.00 0.00 C ATOM 589 CD1 LEU A 36 6.419 5.445 -0.298 1.00 0.00 C ATOM 590 CD2 LEU A 36 8.808 5.688 -0.991 1.00 0.00 C ATOM 0 H LEU A 36 7.317 4.158 -3.788 1.00 0.00 H new ATOM 0 HA LEU A 36 6.969 1.740 -2.383 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.499 3.117 -0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 36 8.639 3.297 -1.717 1.00 0.00 H new ATOM 0 HG LEU A 36 7.138 5.408 -2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.335 6.531 -0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.457 5.015 -0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.712 5.074 0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.690 6.770 -0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.160 5.314 -0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.534 5.439 -1.765 1.00 0.00 H new ATOM 602 N SER A 37 4.481 3.840 -2.191 1.00 0.00 N ATOM 603 CA SER A 37 3.076 3.963 -1.834 1.00 0.00 C ATOM 604 C SER A 37 2.289 2.762 -2.355 1.00 0.00 C ATOM 605 O SER A 37 1.441 2.207 -1.652 1.00 0.00 O ATOM 606 CB SER A 37 2.512 5.265 -2.404 1.00 0.00 C ATOM 607 OG SER A 37 3.316 6.370 -2.024 1.00 0.00 O ATOM 0 H SER A 37 4.837 4.612 -2.754 1.00 0.00 H new ATOM 0 HA SER A 37 2.984 3.985 -0.748 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.464 5.201 -3.491 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.492 5.412 -2.048 1.00 0.00 H new ATOM 0 HG SER A 37 2.866 6.873 -1.314 1.00 0.00 H new ATOM 613 N ASP A 38 2.606 2.343 -3.579 1.00 0.00 N ATOM 614 CA ASP A 38 1.951 1.194 -4.191 1.00 0.00 C ATOM 615 C ASP A 38 2.280 -0.071 -3.424 1.00 0.00 C ATOM 616 O ASP A 38 1.399 -0.866 -3.122 1.00 0.00 O ATOM 617 CB ASP A 38 2.377 1.010 -5.652 1.00 0.00 C ATOM 618 CG ASP A 38 1.967 2.161 -6.534 1.00 0.00 C ATOM 619 OD1 ASP A 38 0.754 2.428 -6.645 1.00 0.00 O ATOM 620 OD2 ASP A 38 2.856 2.802 -7.131 1.00 0.00 O ATOM 0 H ASP A 38 3.314 2.785 -4.165 1.00 0.00 H new ATOM 0 HA ASP A 38 0.878 1.383 -4.160 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.460 0.893 -5.697 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.940 0.089 -6.039 1.00 0.00 H new ATOM 625 N VAL A 39 3.551 -0.238 -3.091 1.00 0.00 N ATOM 626 CA VAL A 39 4.007 -1.431 -2.391 1.00 0.00 C ATOM 627 C VAL A 39 3.344 -1.537 -1.019 1.00 0.00 C ATOM 628 O VAL A 39 3.013 -2.626 -0.564 1.00 0.00 O ATOM 629 CB VAL A 39 5.545 -1.432 -2.226 1.00 0.00 C ATOM 630 CG1 VAL A 39 6.021 -2.706 -1.544 1.00 0.00 C ATOM 631 CG2 VAL A 39 6.229 -1.265 -3.577 1.00 0.00 C ATOM 0 H VAL A 39 4.287 0.439 -3.294 1.00 0.00 H new ATOM 0 HA VAL A 39 3.723 -2.293 -2.994 1.00 0.00 H new ATOM 0 HB VAL A 39 5.815 -0.587 -1.592 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.106 -2.680 -1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.564 -2.783 -0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.734 -3.569 -2.145 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.310 -1.268 -3.440 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.944 -2.087 -4.233 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.923 -0.320 -4.026 1.00 0.00 H new ATOM 641 N CYS A 40 3.127 -0.396 -0.382 1.00 0.00 N ATOM 642 CA CYS A 40 2.541 -0.357 0.949 1.00 0.00 C ATOM 643 C CYS A 40 1.064 -0.796 0.914 1.00 0.00 C ATOM 644 O CYS A 40 0.658 -1.699 1.646 1.00 0.00 O ATOM 645 CB CYS A 40 2.703 1.062 1.524 1.00 0.00 C ATOM 646 SG CYS A 40 2.813 1.151 3.319 1.00 0.00 S ATOM 0 H CYS A 40 3.350 0.521 -0.769 1.00 0.00 H new ATOM 0 HA CYS A 40 3.060 -1.061 1.600 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.601 1.510 1.098 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.858 1.668 1.197 1.00 0.00 H new ATOM 0 HG CYS A 40 2.948 2.391 3.685 1.00 0.00 H new ATOM 652 N ARG A 41 0.251 -0.135 0.097 1.00 0.00 N ATOM 653 CA ARG A 41 -1.137 -0.560 -0.117 1.00 0.00 C ATOM 654 C ARG A 41 -1.218 -2.004 -0.644 1.00 0.00 C ATOM 655 O ARG A 41 -2.117 -2.756 -0.267 1.00 0.00 O ATOM 656 CB ARG A 41 -1.863 0.413 -1.065 1.00 0.00 C ATOM 657 CG ARG A 41 -1.282 0.503 -2.471 1.00 0.00 C ATOM 658 CD ARG A 41 -1.770 -0.631 -3.365 1.00 0.00 C ATOM 659 NE ARG A 41 -3.188 -0.495 -3.701 1.00 0.00 N ATOM 660 CZ ARG A 41 -3.969 -1.500 -4.100 1.00 0.00 C ATOM 661 NH1 ARG A 41 -3.511 -2.745 -4.086 1.00 0.00 N ATOM 662 NH2 ARG A 41 -5.217 -1.259 -4.485 1.00 0.00 N ATOM 0 H ARG A 41 0.524 0.695 -0.429 1.00 0.00 H new ATOM 0 HA ARG A 41 -1.640 -0.540 0.850 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.908 0.111 -1.139 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -1.850 1.408 -0.619 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -1.557 1.459 -2.916 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.194 0.478 -2.416 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.181 -0.649 -4.282 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.607 -1.584 -2.862 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.608 0.432 -3.625 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.560 -2.935 -3.770 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.110 -3.512 -4.391 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.578 -0.305 -4.476 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.814 -2.028 -4.790 1.00 0.00 H new ATOM 676 N LEU A 42 -0.281 -2.397 -1.505 1.00 0.00 N ATOM 677 CA LEU A 42 -0.243 -3.768 -2.006 1.00 0.00 C ATOM 678 C LEU A 42 0.103 -4.706 -0.875 1.00 0.00 C ATOM 679 O LEU A 42 -0.233 -5.892 -0.897 1.00 0.00 O ATOM 680 CB LEU A 42 0.788 -3.925 -3.129 1.00 0.00 C ATOM 681 CG LEU A 42 0.402 -3.315 -4.478 1.00 0.00 C ATOM 682 CD1 LEU A 42 1.588 -3.336 -5.427 1.00 0.00 C ATOM 683 CD2 LEU A 42 -0.772 -4.067 -5.088 1.00 0.00 C ATOM 0 H LEU A 42 0.455 -1.791 -1.867 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.226 -4.009 -2.410 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.725 -3.473 -2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.980 -4.988 -3.274 1.00 0.00 H new ATOM 0 HG LEU A 42 0.103 -2.280 -4.314 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.297 -2.899 -6.382 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.407 -2.759 -4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.911 -4.365 -5.583 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.032 -3.619 -6.047 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.497 -5.111 -5.238 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.629 -4.010 -4.417 1.00 0.00 H new ATOM 695 N ALA A 43 0.757 -4.150 0.129 1.00 0.00 N ATOM 696 CA ALA A 43 1.204 -4.924 1.251 1.00 0.00 C ATOM 697 C ALA A 43 0.037 -5.324 2.143 1.00 0.00 C ATOM 698 O ALA A 43 -0.044 -6.465 2.582 1.00 0.00 O ATOM 699 CB ALA A 43 2.256 -4.174 2.043 1.00 0.00 C ATOM 0 H ALA A 43 0.987 -3.158 0.181 1.00 0.00 H new ATOM 0 HA ALA A 43 1.658 -5.837 0.865 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.578 -4.783 2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.112 -3.962 1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.836 -3.237 2.410 1.00 0.00 H new ATOM 705 N ILE A 44 -0.877 -4.389 2.408 1.00 0.00 N ATOM 706 CA ILE A 44 -2.036 -4.696 3.241 1.00 0.00 C ATOM 707 C ILE A 44 -2.977 -5.639 2.523 1.00 0.00 C ATOM 708 O ILE A 44 -3.663 -6.439 3.155 1.00 0.00 O ATOM 709 CB ILE A 44 -2.809 -3.446 3.717 1.00 0.00 C ATOM 710 CG1 ILE A 44 -2.866 -2.371 2.632 1.00 0.00 C ATOM 711 CG2 ILE A 44 -2.190 -2.896 4.988 1.00 0.00 C ATOM 712 CD1 ILE A 44 -3.437 -1.055 3.122 1.00 0.00 C ATOM 0 H ILE A 44 -0.838 -3.430 2.064 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.638 -5.177 4.135 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.835 -3.748 3.929 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.861 -2.202 2.245 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.471 -2.735 1.801 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.745 -2.015 5.312 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.227 -3.656 5.769 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -1.152 -2.621 4.798 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.449 -0.336 2.303 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.454 -1.211 3.483 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.819 -0.670 3.933 1.00 0.00 H new ATOM 724 N LYS A 45 -3.005 -5.555 1.201 1.00 0.00 N ATOM 725 CA LYS A 45 -3.757 -6.514 0.413 1.00 0.00 C ATOM 726 C LYS A 45 -3.219 -7.927 0.660 1.00 0.00 C ATOM 727 O LYS A 45 -3.984 -8.882 0.803 1.00 0.00 O ATOM 728 CB LYS A 45 -3.709 -6.169 -1.076 1.00 0.00 C ATOM 729 CG LYS A 45 -4.516 -7.124 -1.939 1.00 0.00 C ATOM 730 CD LYS A 45 -5.969 -7.193 -1.489 1.00 0.00 C ATOM 731 CE LYS A 45 -6.736 -8.252 -2.258 1.00 0.00 C ATOM 732 NZ LYS A 45 -8.134 -8.390 -1.771 1.00 0.00 N ATOM 0 H LYS A 45 -2.521 -4.840 0.658 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.800 -6.472 0.725 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.083 -5.155 -1.220 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.672 -6.176 -1.410 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.471 -6.802 -2.979 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.073 -8.119 -1.894 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.011 -7.413 -0.422 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.443 -6.222 -1.633 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.745 -7.996 -3.317 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.224 -9.210 -2.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.623 -9.124 -2.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.127 -8.660 -0.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.632 -7.484 -1.883 1.00 0.00 H new ATOM 746 N GLU A 46 -1.895 -8.037 0.733 1.00 0.00 N ATOM 747 CA GLU A 46 -1.237 -9.304 1.018 1.00 0.00 C ATOM 748 C GLU A 46 -1.484 -9.683 2.470 1.00 0.00 C ATOM 749 O GLU A 46 -1.650 -10.851 2.800 1.00 0.00 O ATOM 750 CB GLU A 46 0.269 -9.187 0.751 1.00 0.00 C ATOM 751 CG GLU A 46 1.055 -10.466 1.006 1.00 0.00 C ATOM 752 CD GLU A 46 0.755 -11.554 -0.002 1.00 0.00 C ATOM 753 OE1 GLU A 46 1.387 -11.558 -1.076 1.00 0.00 O ATOM 754 OE2 GLU A 46 -0.096 -12.420 0.277 1.00 0.00 O ATOM 0 H GLU A 46 -1.254 -7.255 0.597 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.645 -10.078 0.368 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.419 -8.883 -0.285 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.676 -8.394 1.378 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.121 -10.241 0.984 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.827 -10.833 2.007 1.00 0.00 H new ATOM 761 N TYR A 47 -1.528 -8.670 3.327 1.00 0.00 N ATOM 762 CA TYR A 47 -1.767 -8.867 4.746 1.00 0.00 C ATOM 763 C TYR A 47 -3.140 -9.495 4.964 1.00 0.00 C ATOM 764 O TYR A 47 -3.286 -10.449 5.727 1.00 0.00 O ATOM 765 CB TYR A 47 -1.676 -7.528 5.486 1.00 0.00 C ATOM 766 CG TYR A 47 -1.814 -7.627 6.993 1.00 0.00 C ATOM 767 CD1 TYR A 47 -0.700 -7.831 7.796 1.00 0.00 C ATOM 768 CD2 TYR A 47 -3.055 -7.502 7.612 1.00 0.00 C ATOM 769 CE1 TYR A 47 -0.814 -7.908 9.169 1.00 0.00 C ATOM 770 CE2 TYR A 47 -3.176 -7.580 8.987 1.00 0.00 C ATOM 771 CZ TYR A 47 -2.052 -7.783 9.760 1.00 0.00 C ATOM 772 OH TYR A 47 -2.164 -7.859 11.129 1.00 0.00 O ATOM 0 H TYR A 47 -1.399 -7.695 3.057 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.006 -9.540 5.141 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.718 -7.063 5.252 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.453 -6.865 5.106 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.273 -7.931 7.338 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.936 -7.342 7.009 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.064 -8.066 9.778 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -4.145 -7.483 9.453 1.00 0.00 H new ATOM 0 HH TYR A 47 -3.103 -7.750 11.387 1.00 0.00 H new ATOM 782 N LEU A 48 -4.136 -8.960 4.270 1.00 0.00 N ATOM 783 CA LEU A 48 -5.498 -9.468 4.365 1.00 0.00 C ATOM 784 C LEU A 48 -5.576 -10.882 3.813 1.00 0.00 C ATOM 785 O LEU A 48 -6.080 -11.785 4.475 1.00 0.00 O ATOM 786 CB LEU A 48 -6.468 -8.563 3.600 1.00 0.00 C ATOM 787 CG LEU A 48 -6.516 -7.111 4.072 1.00 0.00 C ATOM 788 CD1 LEU A 48 -7.509 -6.323 3.240 1.00 0.00 C ATOM 789 CD2 LEU A 48 -6.879 -7.038 5.549 1.00 0.00 C ATOM 0 H LEU A 48 -4.025 -8.171 3.633 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.782 -9.479 5.417 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.195 -8.576 2.545 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.470 -8.986 3.676 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.527 -6.672 3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.534 -5.290 3.586 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.207 -6.348 2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.500 -6.764 3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.908 -5.995 5.865 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.857 -7.492 5.706 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.132 -7.574 6.134 1.00 0.00 H new ATOM 801 N ASP A 49 -5.053 -11.064 2.608 1.00 0.00 N ATOM 802 CA ASP A 49 -5.093 -12.357 1.930 1.00 0.00 C ATOM 803 C ASP A 49 -4.325 -13.427 2.703 1.00 0.00 C ATOM 804 O ASP A 49 -4.670 -14.607 2.658 1.00 0.00 O ATOM 805 CB ASP A 49 -4.525 -12.223 0.521 1.00 0.00 C ATOM 806 CG ASP A 49 -4.661 -13.501 -0.284 1.00 0.00 C ATOM 807 OD1 ASP A 49 -5.786 -13.811 -0.731 1.00 0.00 O ATOM 808 OD2 ASP A 49 -3.641 -14.193 -0.486 1.00 0.00 O ATOM 0 H ASP A 49 -4.592 -10.327 2.074 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.135 -12.672 1.876 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.038 -11.414 0.001 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.473 -11.946 0.582 1.00 0.00 H new ATOM 813 N ASN A 50 -3.291 -13.008 3.425 1.00 0.00 N ATOM 814 CA ASN A 50 -2.465 -13.933 4.193 1.00 0.00 C ATOM 815 C ASN A 50 -3.185 -14.379 5.459 1.00 0.00 C ATOM 816 O ASN A 50 -3.028 -15.514 5.907 1.00 0.00 O ATOM 817 CB ASN A 50 -1.136 -13.273 4.574 1.00 0.00 C ATOM 818 CG ASN A 50 -0.224 -14.190 5.370 1.00 0.00 C ATOM 819 OD1 ASN A 50 -0.175 -15.400 5.139 1.00 0.00 O ATOM 820 ND2 ASN A 50 0.489 -13.623 6.331 1.00 0.00 N ATOM 0 H ASN A 50 -3.005 -12.032 3.494 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.271 -14.805 3.568 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.621 -12.956 3.667 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -1.337 -12.374 5.157 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.106 -14.191 6.911 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.421 -12.618 6.491 1.00 0.00 H new ATOM 827 N HIS A 51 -3.987 -13.490 6.028 1.00 0.00 N ATOM 828 CA HIS A 51 -4.698 -13.802 7.262 1.00 0.00 C ATOM 829 C HIS A 51 -6.039 -14.451 6.960 1.00 0.00 C ATOM 830 O HIS A 51 -6.553 -15.237 7.753 1.00 0.00 O ATOM 831 CB HIS A 51 -4.900 -12.545 8.111 1.00 0.00 C ATOM 832 CG HIS A 51 -3.654 -12.086 8.809 1.00 0.00 C ATOM 833 ND1 HIS A 51 -3.533 -12.039 10.180 1.00 0.00 N ATOM 834 CD2 HIS A 51 -2.472 -11.651 8.316 1.00 0.00 C ATOM 835 CE1 HIS A 51 -2.331 -11.594 10.499 1.00 0.00 C ATOM 836 NE2 HIS A 51 -1.668 -11.351 9.383 1.00 0.00 N ATOM 0 H HIS A 51 -4.161 -12.555 5.660 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.089 -14.506 7.829 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.267 -11.741 7.473 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -5.673 -12.739 8.855 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -2.210 -11.557 7.272 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -1.955 -11.453 11.501 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -0.713 -10.998 9.325 1.00 0.00 H new ATOM 845 N ASP A 52 -6.602 -14.121 5.812 1.00 0.00 N ATOM 846 CA ASP A 52 -7.852 -14.720 5.375 1.00 0.00 C ATOM 847 C ASP A 52 -7.552 -15.857 4.407 1.00 0.00 C ATOM 848 O ASP A 52 -7.630 -15.695 3.187 1.00 0.00 O ATOM 849 CB ASP A 52 -8.746 -13.666 4.716 1.00 0.00 C ATOM 850 CG ASP A 52 -10.188 -14.119 4.596 1.00 0.00 C ATOM 851 OD1 ASP A 52 -10.964 -13.890 5.547 1.00 0.00 O ATOM 852 OD2 ASP A 52 -10.557 -14.686 3.553 1.00 0.00 O ATOM 0 H ASP A 52 -6.212 -13.438 5.162 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.385 -15.119 6.238 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.705 -12.745 5.298 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.358 -13.434 3.724 1.00 0.00 H new ATOM 857 N LYS A 53 -7.170 -17.001 4.964 1.00 0.00 N ATOM 858 CA LYS A 53 -6.755 -18.150 4.167 1.00 0.00 C ATOM 859 C LYS A 53 -7.960 -18.974 3.741 1.00 0.00 C ATOM 860 O LYS A 53 -8.004 -19.492 2.624 1.00 0.00 O ATOM 861 CB LYS A 53 -5.784 -19.033 4.959 1.00 0.00 C ATOM 862 CG LYS A 53 -4.555 -18.297 5.471 1.00 0.00 C ATOM 863 CD LYS A 53 -3.664 -19.217 6.295 1.00 0.00 C ATOM 864 CE LYS A 53 -2.478 -18.476 6.897 1.00 0.00 C ATOM 865 NZ LYS A 53 -1.553 -17.953 5.856 1.00 0.00 N ATOM 0 H LYS A 53 -7.139 -17.158 5.971 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.251 -17.775 3.277 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -6.314 -19.468 5.807 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -5.462 -19.860 4.326 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.990 -17.898 4.629 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.864 -17.447 6.079 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.251 -19.670 7.094 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.302 -20.030 5.665 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.841 -17.649 7.507 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.933 -19.146 7.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.570 -18.129 6.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.739 -18.434 4.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.703 -16.930 5.741 1.00 0.00 H new ATOM 879 N GLN A 54 -8.931 -19.082 4.653 1.00 0.00 N ATOM 880 CA GLN A 54 -10.168 -19.828 4.417 1.00 0.00 C ATOM 881 C GLN A 54 -9.904 -21.328 4.301 1.00 0.00 C ATOM 882 O GLN A 54 -8.766 -21.786 4.414 1.00 0.00 O ATOM 883 CB GLN A 54 -10.876 -19.325 3.156 1.00 0.00 C ATOM 884 CG GLN A 54 -11.404 -17.908 3.273 1.00 0.00 C ATOM 885 CD GLN A 54 -12.031 -17.419 1.985 1.00 0.00 C ATOM 886 OE1 GLN A 54 -12.566 -18.201 1.196 1.00 0.00 O ATOM 887 NE2 GLN A 54 -11.966 -16.121 1.764 1.00 0.00 N ATOM 0 H GLN A 54 -8.880 -18.653 5.577 1.00 0.00 H new ATOM 0 HA GLN A 54 -10.816 -19.660 5.278 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -10.182 -19.376 2.317 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -11.705 -19.994 2.925 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -12.142 -17.863 4.074 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.589 -17.241 3.553 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -11.514 -15.510 2.444 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -12.368 -15.728 0.913 1.00 0.00 H new ATOM 896 N LYS A 55 -10.974 -22.087 4.105 1.00 0.00 N ATOM 897 CA LYS A 55 -10.876 -23.531 3.922 1.00 0.00 C ATOM 898 C LYS A 55 -11.790 -23.962 2.785 1.00 0.00 C ATOM 899 O LYS A 55 -12.177 -25.130 2.691 1.00 0.00 O ATOM 900 CB LYS A 55 -11.264 -24.272 5.207 1.00 0.00 C ATOM 901 CG LYS A 55 -10.387 -23.934 6.404 1.00 0.00 C ATOM 902 CD LYS A 55 -10.780 -24.745 7.627 1.00 0.00 C ATOM 903 CE LYS A 55 -10.531 -26.232 7.418 1.00 0.00 C ATOM 904 NZ LYS A 55 -9.085 -26.533 7.254 1.00 0.00 N ATOM 0 H LYS A 55 -11.927 -21.724 4.068 1.00 0.00 H new ATOM 0 HA LYS A 55 -9.843 -23.781 3.680 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.300 -24.038 5.451 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.214 -25.345 5.025 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -9.343 -24.127 6.158 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.470 -22.871 6.629 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.213 -24.399 8.491 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.834 -24.580 7.850 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.924 -26.789 8.269 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.075 -26.571 6.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.935 -27.560 7.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.763 -26.193 6.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.544 -26.057 8.004 1.00 0.00 H new ATOM 918 N LYS A 56 -12.085 -23.003 1.906 1.00 0.00 N ATOM 919 CA LYS A 56 -13.066 -23.163 0.833 1.00 0.00 C ATOM 920 C LYS A 56 -14.461 -23.308 1.430 1.00 0.00 C ATOM 921 O LYS A 56 -15.015 -22.289 1.885 1.00 0.00 O ATOM 922 CB LYS A 56 -12.755 -24.374 -0.054 1.00 0.00 C ATOM 923 CG LYS A 56 -11.301 -24.483 -0.484 1.00 0.00 C ATOM 924 CD LYS A 56 -11.067 -25.727 -1.331 1.00 0.00 C ATOM 925 CE LYS A 56 -11.703 -26.962 -0.712 1.00 0.00 C ATOM 926 NZ LYS A 56 -11.230 -27.210 0.675 1.00 0.00 N ATOM 927 OXT LYS A 56 -14.994 -24.439 1.449 1.00 0.00 O ATOM 0 H LYS A 56 -11.644 -22.083 1.920 1.00 0.00 H new ATOM 0 HA LYS A 56 -13.018 -22.273 0.206 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -13.031 -25.282 0.482 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.382 -24.327 -0.945 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.020 -23.596 -1.051 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.660 -24.514 0.397 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.476 -25.569 -2.329 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.996 -25.890 -1.448 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.787 -26.845 -0.708 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -11.478 -27.831 -1.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.626 -28.107 1.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.191 -27.264 0.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.541 -26.433 1.292 1.00 0.00 H new TER 941 LYS A 56 ATOM 942 N GLY B 2 25.496 14.862 15.155 1.00 0.00 N ATOM 943 CA GLY B 2 24.345 15.776 14.983 1.00 0.00 C ATOM 944 C GLY B 2 23.765 15.689 13.592 1.00 0.00 C ATOM 945 O GLY B 2 24.507 15.496 12.627 1.00 0.00 O ATOM 0 HA2 GLY B 2 23.574 15.532 15.714 1.00 0.00 H new ATOM 0 HA3 GLY B 2 24.661 16.800 15.182 1.00 0.00 H new ATOM 951 N ARG B 3 22.441 15.838 13.493 1.00 0.00 N ATOM 952 CA ARG B 3 21.732 15.757 12.213 1.00 0.00 C ATOM 953 C ARG B 3 21.919 14.381 11.578 1.00 0.00 C ATOM 954 O ARG B 3 22.811 14.187 10.750 1.00 0.00 O ATOM 955 CB ARG B 3 22.214 16.848 11.253 1.00 0.00 C ATOM 956 CG ARG B 3 21.984 18.264 11.758 1.00 0.00 C ATOM 957 CD ARG B 3 22.683 19.278 10.868 1.00 0.00 C ATOM 958 NE ARG B 3 24.133 19.087 10.876 1.00 0.00 N ATOM 959 CZ ARG B 3 24.947 19.402 9.866 1.00 0.00 C ATOM 960 NH1 ARG B 3 24.487 20.051 8.799 1.00 0.00 N ATOM 961 NH2 ARG B 3 26.238 19.111 9.946 1.00 0.00 N ATOM 0 H ARG B 3 21.834 16.017 14.293 1.00 0.00 H new ATOM 0 HA ARG B 3 20.671 15.911 12.408 1.00 0.00 H new ATOM 0 HB2 ARG B 3 23.279 16.709 11.066 1.00 0.00 H new ATOM 0 HB3 ARG B 3 21.704 16.727 10.297 1.00 0.00 H new ATOM 0 HG2 ARG B 3 20.915 18.475 11.786 1.00 0.00 H new ATOM 0 HG3 ARG B 3 22.354 18.355 12.779 1.00 0.00 H new ATOM 0 HD2 ARG B 3 22.309 19.188 9.848 1.00 0.00 H new ATOM 0 HD3 ARG B 3 22.446 20.286 11.207 1.00 0.00 H new ATOM 0 HE ARG B 3 24.553 18.684 11.714 1.00 0.00 H new ATOM 0 HH11 ARG B 3 23.503 20.313 8.747 1.00 0.00 H new ATOM 0 HH12 ARG B 3 25.119 20.286 8.034 1.00 0.00 H new ATOM 0 HH21 ARG B 3 26.606 18.648 10.777 1.00 0.00 H new ATOM 0 HH22 ARG B 3 26.863 19.350 9.176 1.00 0.00 H new ATOM 975 N PRO B 4 21.077 13.406 11.962 1.00 0.00 N ATOM 976 CA PRO B 4 21.171 12.032 11.462 1.00 0.00 C ATOM 977 C PRO B 4 20.936 11.934 9.954 1.00 0.00 C ATOM 978 O PRO B 4 19.794 11.802 9.491 1.00 0.00 O ATOM 979 CB PRO B 4 20.084 11.279 12.236 1.00 0.00 C ATOM 980 CG PRO B 4 19.155 12.326 12.743 1.00 0.00 C ATOM 981 CD PRO B 4 19.971 13.574 12.918 1.00 0.00 C ATOM 0 HA PRO B 4 22.169 11.621 11.612 1.00 0.00 H new ATOM 0 HB2 PRO B 4 19.563 10.571 11.591 1.00 0.00 H new ATOM 0 HB3 PRO B 4 20.514 10.705 13.057 1.00 0.00 H new ATOM 0 HG2 PRO B 4 18.338 12.492 12.041 1.00 0.00 H new ATOM 0 HG3 PRO B 4 18.706 12.021 13.688 1.00 0.00 H new ATOM 0 HD2 PRO B 4 19.387 14.468 12.701 1.00 0.00 H new ATOM 0 HD3 PRO B 4 20.337 13.673 13.940 1.00 0.00 H new ATOM 989 N TYR B 5 22.035 11.998 9.209 1.00 0.00 N ATOM 990 CA TYR B 5 22.031 11.916 7.752 1.00 0.00 C ATOM 991 C TYR B 5 21.185 13.015 7.106 1.00 0.00 C ATOM 992 O TYR B 5 21.656 14.136 6.910 1.00 0.00 O ATOM 993 CB TYR B 5 21.581 10.526 7.281 1.00 0.00 C ATOM 994 CG TYR B 5 22.600 9.439 7.544 1.00 0.00 C ATOM 995 CD1 TYR B 5 22.656 8.786 8.770 1.00 0.00 C ATOM 996 CD2 TYR B 5 23.510 9.070 6.562 1.00 0.00 C ATOM 997 CE1 TYR B 5 23.594 7.798 9.008 1.00 0.00 C ATOM 998 CE2 TYR B 5 24.447 8.083 6.791 1.00 0.00 C ATOM 999 CZ TYR B 5 24.487 7.451 8.016 1.00 0.00 C ATOM 1000 OH TYR B 5 25.425 6.471 8.250 1.00 0.00 O ATOM 0 H TYR B 5 22.968 12.110 9.606 1.00 0.00 H new ATOM 0 HA TYR B 5 23.058 12.076 7.424 1.00 0.00 H new ATOM 0 HB2 TYR B 5 20.648 10.266 7.781 1.00 0.00 H new ATOM 0 HB3 TYR B 5 21.370 10.564 6.212 1.00 0.00 H new ATOM 0 HD1 TYR B 5 21.957 9.054 9.548 1.00 0.00 H new ATOM 0 HD2 TYR B 5 23.484 9.564 5.602 1.00 0.00 H new ATOM 0 HE1 TYR B 5 23.627 7.301 9.966 1.00 0.00 H new ATOM 0 HE2 TYR B 5 25.145 7.807 6.015 1.00 0.00 H new ATOM 0 HH TYR B 5 25.975 6.347 7.449 1.00 0.00 H new ATOM 1010 N LYS B 6 19.941 12.699 6.778 1.00 0.00 N ATOM 1011 CA LYS B 6 19.100 13.627 6.037 1.00 0.00 C ATOM 1012 C LYS B 6 18.113 14.359 6.941 1.00 0.00 C ATOM 1013 O LYS B 6 17.868 15.551 6.755 1.00 0.00 O ATOM 1014 CB LYS B 6 18.349 12.894 4.928 1.00 0.00 C ATOM 1015 CG LYS B 6 19.270 12.236 3.916 1.00 0.00 C ATOM 1016 CD LYS B 6 18.485 11.569 2.802 1.00 0.00 C ATOM 1017 CE LYS B 6 19.412 10.889 1.812 1.00 0.00 C ATOM 1018 NZ LYS B 6 18.664 10.239 0.706 1.00 0.00 N ATOM 0 H LYS B 6 19.494 11.813 7.012 1.00 0.00 H new ATOM 0 HA LYS B 6 19.758 14.376 5.596 1.00 0.00 H new ATOM 0 HB2 LYS B 6 17.707 12.134 5.374 1.00 0.00 H new ATOM 0 HB3 LYS B 6 17.697 13.599 4.412 1.00 0.00 H new ATOM 0 HG2 LYS B 6 19.941 12.984 3.493 1.00 0.00 H new ATOM 0 HG3 LYS B 6 19.893 11.496 4.417 1.00 0.00 H new ATOM 0 HD2 LYS B 6 17.799 10.836 3.225 1.00 0.00 H new ATOM 0 HD3 LYS B 6 17.878 12.312 2.285 1.00 0.00 H new ATOM 0 HE2 LYS B 6 20.104 11.624 1.399 1.00 0.00 H new ATOM 0 HE3 LYS B 6 20.013 10.142 2.332 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 19.327 9.715 0.099 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 17.962 9.581 1.101 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 18.178 10.965 0.142 1.00 0.00 H new ATOM 1032 N LEU B 7 17.542 13.659 7.914 1.00 0.00 N ATOM 1033 CA LEU B 7 16.516 14.259 8.758 1.00 0.00 C ATOM 1034 C LEU B 7 16.556 13.688 10.173 1.00 0.00 C ATOM 1035 O LEU B 7 17.263 14.205 11.034 1.00 0.00 O ATOM 1036 CB LEU B 7 15.127 14.057 8.137 1.00 0.00 C ATOM 1037 CG LEU B 7 13.966 14.733 8.875 1.00 0.00 C ATOM 1038 CD1 LEU B 7 14.158 16.244 8.914 1.00 0.00 C ATOM 1039 CD2 LEU B 7 12.642 14.377 8.212 1.00 0.00 C ATOM 0 H LEU B 7 17.768 12.689 8.136 1.00 0.00 H new ATOM 0 HA LEU B 7 16.720 15.328 8.824 1.00 0.00 H new ATOM 0 HB2 LEU B 7 15.149 14.430 7.113 1.00 0.00 H new ATOM 0 HB3 LEU B 7 14.925 12.987 8.082 1.00 0.00 H new ATOM 0 HG LEU B 7 13.950 14.368 9.902 1.00 0.00 H new ATOM 0 HD11 LEU B 7 13.323 16.703 9.442 1.00 0.00 H new ATOM 0 HD12 LEU B 7 15.088 16.479 9.431 1.00 0.00 H new ATOM 0 HD13 LEU B 7 14.201 16.632 7.896 1.00 0.00 H new ATOM 0 HD21 LEU B 7 11.825 14.863 8.746 1.00 0.00 H new ATOM 0 HD22 LEU B 7 12.651 14.716 7.176 1.00 0.00 H new ATOM 0 HD23 LEU B 7 12.500 13.297 8.239 1.00 0.00 H new ATOM 1051 N LEU B 8 15.816 12.606 10.400 1.00 0.00 N ATOM 1052 CA LEU B 8 15.727 11.992 11.724 1.00 0.00 C ATOM 1053 C LEU B 8 15.680 10.474 11.598 1.00 0.00 C ATOM 1054 O LEU B 8 14.860 9.811 12.233 1.00 0.00 O ATOM 1055 CB LEU B 8 14.479 12.493 12.468 1.00 0.00 C ATOM 1056 CG LEU B 8 14.481 13.977 12.848 1.00 0.00 C ATOM 1057 CD1 LEU B 8 13.128 14.375 13.420 1.00 0.00 C ATOM 1058 CD2 LEU B 8 15.597 14.273 13.843 1.00 0.00 C ATOM 0 H LEU B 8 15.267 12.134 9.682 1.00 0.00 H new ATOM 0 HA LEU B 8 16.612 12.275 12.294 1.00 0.00 H new ATOM 0 HB2 LEU B 8 13.605 12.298 11.846 1.00 0.00 H new ATOM 0 HB3 LEU B 8 14.361 11.904 13.378 1.00 0.00 H new ATOM 0 HG LEU B 8 14.663 14.567 11.950 1.00 0.00 H new ATOM 0 HD11 LEU B 8 13.142 15.432 13.686 1.00 0.00 H new ATOM 0 HD12 LEU B 8 12.352 14.199 12.675 1.00 0.00 H new ATOM 0 HD13 LEU B 8 12.919 13.780 14.309 1.00 0.00 H new ATOM 0 HD21 LEU B 8 15.583 15.332 14.101 1.00 0.00 H new ATOM 0 HD22 LEU B 8 15.449 13.678 14.744 1.00 0.00 H new ATOM 0 HD23 LEU B 8 16.559 14.021 13.396 1.00 0.00 H new ATOM 1070 N ASN B 9 16.573 9.937 10.763 1.00 0.00 N ATOM 1071 CA ASN B 9 16.605 8.504 10.462 1.00 0.00 C ATOM 1072 C ASN B 9 15.275 8.050 9.865 1.00 0.00 C ATOM 1073 O ASN B 9 14.878 6.895 10.007 1.00 0.00 O ATOM 1074 CB ASN B 9 16.925 7.669 11.710 1.00 0.00 C ATOM 1075 CG ASN B 9 18.290 7.974 12.296 1.00 0.00 C ATOM 1076 OD1 ASN B 9 18.423 8.807 13.195 1.00 0.00 O ATOM 1077 ND2 ASN B 9 19.316 7.306 11.791 1.00 0.00 N ATOM 0 H ASN B 9 17.289 10.479 10.280 1.00 0.00 H new ATOM 0 HA ASN B 9 17.400 8.345 9.733 1.00 0.00 H new ATOM 0 HB2 ASN B 9 16.162 7.851 12.467 1.00 0.00 H new ATOM 0 HB3 ASN B 9 16.874 6.611 11.455 1.00 0.00 H new ATOM 0 HD21 ASN B 9 20.258 7.473 12.146 1.00 0.00 H new ATOM 0 HD22 ASN B 9 19.165 6.624 11.047 1.00 0.00 H new ATOM 1084 N GLY B 10 14.605 8.964 9.173 1.00 0.00 N ATOM 1085 CA GLY B 10 13.306 8.670 8.612 1.00 0.00 C ATOM 1086 C GLY B 10 12.913 9.667 7.544 1.00 0.00 C ATOM 1087 O GLY B 10 13.293 10.837 7.605 1.00 0.00 O ATOM 0 H GLY B 10 14.944 9.909 8.991 1.00 0.00 H new ATOM 0 HA2 GLY B 10 13.313 7.666 8.187 1.00 0.00 H new ATOM 0 HA3 GLY B 10 12.559 8.675 9.405 1.00 0.00 H new ATOM 1091 N ILE B 11 12.167 9.188 6.561 1.00 0.00 N ATOM 1092 CA ILE B 11 11.741 9.993 5.425 1.00 0.00 C ATOM 1093 C ILE B 11 10.214 9.951 5.326 1.00 0.00 C ATOM 1094 O ILE B 11 9.580 9.038 5.866 1.00 0.00 O ATOM 1095 CB ILE B 11 12.373 9.459 4.109 1.00 0.00 C ATOM 1096 CG1 ILE B 11 13.885 9.266 4.270 1.00 0.00 C ATOM 1097 CG2 ILE B 11 12.090 10.395 2.941 1.00 0.00 C ATOM 1098 CD1 ILE B 11 14.638 10.544 4.582 1.00 0.00 C ATOM 0 H ILE B 11 11.837 8.223 6.528 1.00 0.00 H new ATOM 0 HA ILE B 11 12.073 11.021 5.571 1.00 0.00 H new ATOM 0 HB ILE B 11 11.916 8.493 3.894 1.00 0.00 H new ATOM 0 HG12 ILE B 11 14.066 8.545 5.067 1.00 0.00 H new ATOM 0 HG13 ILE B 11 14.286 8.834 3.353 1.00 0.00 H new ATOM 0 HG21 ILE B 11 12.545 9.994 2.035 1.00 0.00 H new ATOM 0 HG22 ILE B 11 11.013 10.483 2.798 1.00 0.00 H new ATOM 0 HG23 ILE B 11 12.509 11.379 3.153 1.00 0.00 H new ATOM 0 HD11 ILE B 11 15.701 10.325 4.681 1.00 0.00 H new ATOM 0 HD12 ILE B 11 14.489 11.261 3.774 1.00 0.00 H new ATOM 0 HD13 ILE B 11 14.266 10.967 5.515 1.00 0.00 H new ATOM 1110 N LYS B 12 9.632 10.902 4.605 1.00 0.00 N ATOM 1111 CA LYS B 12 8.183 11.062 4.560 1.00 0.00 C ATOM 1112 C LYS B 12 7.610 10.421 3.304 1.00 0.00 C ATOM 1113 O LYS B 12 8.196 10.504 2.226 1.00 0.00 O ATOM 1114 CB LYS B 12 7.832 12.554 4.581 1.00 0.00 C ATOM 1115 CG LYS B 12 6.343 12.855 4.457 1.00 0.00 C ATOM 1116 CD LYS B 12 5.591 12.539 5.739 1.00 0.00 C ATOM 1117 CE LYS B 12 4.107 12.820 5.584 1.00 0.00 C ATOM 1118 NZ LYS B 12 3.394 12.793 6.888 1.00 0.00 N ATOM 0 H LYS B 12 10.145 11.578 4.040 1.00 0.00 H new ATOM 0 HA LYS B 12 7.750 10.569 5.430 1.00 0.00 H new ATOM 0 HB2 LYS B 12 8.201 12.988 5.510 1.00 0.00 H new ATOM 0 HB3 LYS B 12 8.359 13.050 3.766 1.00 0.00 H new ATOM 0 HG2 LYS B 12 6.205 13.907 4.205 1.00 0.00 H new ATOM 0 HG3 LYS B 12 5.922 12.273 3.637 1.00 0.00 H new ATOM 0 HD2 LYS B 12 5.741 11.492 6.004 1.00 0.00 H new ATOM 0 HD3 LYS B 12 5.994 13.136 6.557 1.00 0.00 H new ATOM 0 HE2 LYS B 12 3.970 13.795 5.116 1.00 0.00 H new ATOM 0 HE3 LYS B 12 3.666 12.081 4.915 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 2.384 12.990 6.736 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 3.502 11.855 7.323 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 3.796 13.516 7.519 1.00 0.00 H new ATOM 1132 N LEU B 13 6.484 9.743 3.470 1.00 0.00 N ATOM 1133 CA LEU B 13 5.797 9.096 2.364 1.00 0.00 C ATOM 1134 C LEU B 13 4.289 9.222 2.526 1.00 0.00 C ATOM 1135 O LEU B 13 3.797 9.532 3.615 1.00 0.00 O ATOM 1136 CB LEU B 13 6.195 7.617 2.257 1.00 0.00 C ATOM 1137 CG LEU B 13 5.943 6.767 3.507 1.00 0.00 C ATOM 1138 CD1 LEU B 13 5.860 5.297 3.137 1.00 0.00 C ATOM 1139 CD2 LEU B 13 7.050 6.979 4.530 1.00 0.00 C ATOM 0 H LEU B 13 6.023 9.627 4.372 1.00 0.00 H new ATOM 0 HA LEU B 13 6.096 9.598 1.444 1.00 0.00 H new ATOM 0 HB2 LEU B 13 5.651 7.173 1.423 1.00 0.00 H new ATOM 0 HB3 LEU B 13 7.255 7.562 2.011 1.00 0.00 H new ATOM 0 HG LEU B 13 4.995 7.078 3.946 1.00 0.00 H new ATOM 0 HD11 LEU B 13 5.681 4.705 4.035 1.00 0.00 H new ATOM 0 HD12 LEU B 13 5.042 5.145 2.433 1.00 0.00 H new ATOM 0 HD13 LEU B 13 6.798 4.984 2.677 1.00 0.00 H new ATOM 0 HD21 LEU B 13 6.854 6.367 5.411 1.00 0.00 H new ATOM 0 HD22 LEU B 13 8.007 6.692 4.095 1.00 0.00 H new ATOM 0 HD23 LEU B 13 7.083 8.030 4.818 1.00 0.00 H new ATOM 1151 N GLY B 14 3.567 8.976 1.446 1.00 0.00 N ATOM 1152 CA GLY B 14 2.126 9.072 1.474 1.00 0.00 C ATOM 1153 C GLY B 14 1.474 8.124 0.486 1.00 0.00 C ATOM 1154 O GLY B 14 1.792 8.138 -0.703 1.00 0.00 O ATOM 0 H GLY B 14 3.958 8.709 0.543 1.00 0.00 H new ATOM 0 HA2 GLY B 14 1.767 8.851 2.479 1.00 0.00 H new ATOM 0 HA3 GLY B 14 1.826 10.095 1.247 1.00 0.00 H new ATOM 1158 N VAL B 15 0.559 7.306 0.980 1.00 0.00 N ATOM 1159 CA VAL B 15 -0.109 6.306 0.154 1.00 0.00 C ATOM 1160 C VAL B 15 -1.573 6.696 -0.085 1.00 0.00 C ATOM 1161 O VAL B 15 -2.157 7.439 0.705 1.00 0.00 O ATOM 1162 CB VAL B 15 -0.028 4.899 0.815 1.00 0.00 C ATOM 1163 CG1 VAL B 15 -0.659 3.827 -0.060 1.00 0.00 C ATOM 1164 CG2 VAL B 15 1.417 4.542 1.131 1.00 0.00 C ATOM 0 H VAL B 15 0.259 7.313 1.955 1.00 0.00 H new ATOM 0 HA VAL B 15 0.403 6.265 -0.807 1.00 0.00 H new ATOM 0 HB VAL B 15 -0.595 4.941 1.745 1.00 0.00 H new ATOM 0 HG11 VAL B 15 -0.582 2.860 0.437 1.00 0.00 H new ATOM 0 HG12 VAL B 15 -1.709 4.066 -0.228 1.00 0.00 H new ATOM 0 HG13 VAL B 15 -0.139 3.786 -1.017 1.00 0.00 H new ATOM 0 HG21 VAL B 15 1.455 3.555 1.593 1.00 0.00 H new ATOM 0 HG22 VAL B 15 2.000 4.535 0.210 1.00 0.00 H new ATOM 0 HG23 VAL B 15 1.832 5.280 1.817 1.00 0.00 H new ATOM 1174 N TYR B 16 -2.138 6.238 -1.200 1.00 0.00 N ATOM 1175 CA TYR B 16 -3.565 6.400 -1.474 1.00 0.00 C ATOM 1176 C TYR B 16 -4.257 5.047 -1.495 1.00 0.00 C ATOM 1177 O TYR B 16 -3.850 4.154 -2.242 1.00 0.00 O ATOM 1178 CB TYR B 16 -3.811 7.078 -2.824 1.00 0.00 C ATOM 1179 CG TYR B 16 -4.009 8.570 -2.747 1.00 0.00 C ATOM 1180 CD1 TYR B 16 -4.870 9.109 -1.811 1.00 0.00 C ATOM 1181 CD2 TYR B 16 -3.357 9.436 -3.616 1.00 0.00 C ATOM 1182 CE1 TYR B 16 -5.079 10.464 -1.727 1.00 0.00 C ATOM 1183 CE2 TYR B 16 -3.563 10.801 -3.543 1.00 0.00 C ATOM 1184 CZ TYR B 16 -4.425 11.310 -2.595 1.00 0.00 C ATOM 1185 OH TYR B 16 -4.635 12.668 -2.514 1.00 0.00 O ATOM 0 H TYR B 16 -1.625 5.748 -1.933 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.969 7.026 -0.679 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -2.966 6.870 -3.480 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -4.691 6.631 -3.286 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -5.390 8.451 -1.131 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -2.681 9.038 -4.358 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -5.753 10.864 -0.984 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -3.052 11.465 -4.225 1.00 0.00 H new ATOM 0 HH TYR B 16 -4.098 13.123 -3.196 1.00 0.00 H new ATOM 1195 N ILE B 17 -5.298 4.881 -0.686 1.00 0.00 N ATOM 1196 CA ILE B 17 -6.062 3.639 -0.716 1.00 0.00 C ATOM 1197 C ILE B 17 -7.572 3.908 -0.680 1.00 0.00 C ATOM 1198 O ILE B 17 -8.011 4.982 -0.254 1.00 0.00 O ATOM 1199 CB ILE B 17 -5.656 2.658 0.410 1.00 0.00 C ATOM 1200 CG1 ILE B 17 -6.047 3.165 1.796 1.00 0.00 C ATOM 1201 CG2 ILE B 17 -4.159 2.377 0.357 1.00 0.00 C ATOM 1202 CD1 ILE B 17 -5.664 2.190 2.888 1.00 0.00 C ATOM 0 H ILE B 17 -5.627 5.575 -0.015 1.00 0.00 H new ATOM 0 HA ILE B 17 -5.819 3.157 -1.663 1.00 0.00 H new ATOM 0 HB ILE B 17 -6.205 1.732 0.238 1.00 0.00 H new ATOM 0 HG12 ILE B 17 -5.563 4.124 1.981 1.00 0.00 H new ATOM 0 HG13 ILE B 17 -7.122 3.340 1.828 1.00 0.00 H new ATOM 0 HG21 ILE B 17 -3.890 1.685 1.155 1.00 0.00 H new ATOM 0 HG22 ILE B 17 -3.906 1.935 -0.607 1.00 0.00 H new ATOM 0 HG23 ILE B 17 -3.609 3.309 0.484 1.00 0.00 H new ATOM 0 HD11 ILE B 17 -5.962 2.593 3.856 1.00 0.00 H new ATOM 0 HD12 ILE B 17 -6.169 1.239 2.720 1.00 0.00 H new ATOM 0 HD13 ILE B 17 -4.585 2.035 2.876 1.00 0.00 H new ATOM 1214 N PRO B 18 -8.378 2.932 -1.154 1.00 0.00 N ATOM 1215 CA PRO B 18 -9.829 3.096 -1.360 1.00 0.00 C ATOM 1216 C PRO B 18 -10.658 3.268 -0.082 1.00 0.00 C ATOM 1217 O PRO B 18 -10.140 3.201 1.038 1.00 0.00 O ATOM 1218 CB PRO B 18 -10.254 1.802 -2.065 1.00 0.00 C ATOM 1219 CG PRO B 18 -8.992 1.148 -2.512 1.00 0.00 C ATOM 1220 CD PRO B 18 -7.924 1.593 -1.559 1.00 0.00 C ATOM 0 HA PRO B 18 -10.010 4.014 -1.919 1.00 0.00 H new ATOM 0 HB2 PRO B 18 -10.812 1.154 -1.389 1.00 0.00 H new ATOM 0 HB3 PRO B 18 -10.905 2.015 -2.913 1.00 0.00 H new ATOM 0 HG2 PRO B 18 -9.093 0.063 -2.503 1.00 0.00 H new ATOM 0 HG3 PRO B 18 -8.746 1.437 -3.534 1.00 0.00 H new ATOM 0 HD2 PRO B 18 -7.839 0.920 -0.705 1.00 0.00 H new ATOM 0 HD3 PRO B 18 -6.945 1.626 -2.037 1.00 0.00 H new ATOM 1228 N GLN B 19 -11.962 3.462 -0.276 1.00 0.00 N ATOM 1229 CA GLN B 19 -12.900 3.725 0.815 1.00 0.00 C ATOM 1230 C GLN B 19 -12.961 2.574 1.828 1.00 0.00 C ATOM 1231 O GLN B 19 -12.650 2.765 3.007 1.00 0.00 O ATOM 1232 CB GLN B 19 -14.298 4.011 0.247 1.00 0.00 C ATOM 1233 CG GLN B 19 -14.817 2.935 -0.704 1.00 0.00 C ATOM 1234 CD GLN B 19 -16.235 3.189 -1.172 1.00 0.00 C ATOM 1235 OE1 GLN B 19 -16.458 3.841 -2.191 1.00 0.00 O ATOM 1236 NE2 GLN B 19 -17.203 2.659 -0.442 1.00 0.00 N ATOM 0 H GLN B 19 -12.399 3.441 -1.197 1.00 0.00 H new ATOM 0 HA GLN B 19 -12.536 4.601 1.352 1.00 0.00 H new ATOM 0 HB2 GLN B 19 -14.999 4.118 1.074 1.00 0.00 H new ATOM 0 HB3 GLN B 19 -14.276 4.966 -0.279 1.00 0.00 H new ATOM 0 HG2 GLN B 19 -14.159 2.877 -1.571 1.00 0.00 H new ATOM 0 HG3 GLN B 19 -14.773 1.966 -0.206 1.00 0.00 H new ATOM 0 HE21 GLN B 19 -16.975 2.125 0.397 1.00 0.00 H new ATOM 0 HE22 GLN B 19 -18.177 2.785 -0.718 1.00 0.00 H new ATOM 1245 N GLU B 20 -13.342 1.385 1.354 1.00 0.00 N ATOM 1246 CA GLU B 20 -13.554 0.223 2.217 1.00 0.00 C ATOM 1247 C GLU B 20 -12.294 -0.154 2.984 1.00 0.00 C ATOM 1248 O GLU B 20 -12.357 -0.827 4.011 1.00 0.00 O ATOM 1249 CB GLU B 20 -14.041 -0.972 1.397 1.00 0.00 C ATOM 1250 CG GLU B 20 -15.358 -0.719 0.691 1.00 0.00 C ATOM 1251 CD GLU B 20 -16.417 -0.181 1.631 1.00 0.00 C ATOM 1252 OE1 GLU B 20 -17.020 -0.979 2.376 1.00 0.00 O ATOM 1253 OE2 GLU B 20 -16.643 1.045 1.636 1.00 0.00 O ATOM 0 H GLU B 20 -13.511 1.202 0.365 1.00 0.00 H new ATOM 0 HA GLU B 20 -14.318 0.497 2.944 1.00 0.00 H new ATOM 0 HB2 GLU B 20 -13.283 -1.228 0.656 1.00 0.00 H new ATOM 0 HB3 GLU B 20 -14.149 -1.835 2.054 1.00 0.00 H new ATOM 0 HG2 GLU B 20 -15.202 -0.010 -0.122 1.00 0.00 H new ATOM 0 HG3 GLU B 20 -15.711 -1.647 0.241 1.00 0.00 H new ATOM 1260 N TRP B 21 -11.159 0.323 2.509 1.00 0.00 N ATOM 1261 CA TRP B 21 -9.900 0.049 3.157 1.00 0.00 C ATOM 1262 C TRP B 21 -9.759 0.953 4.353 1.00 0.00 C ATOM 1263 O TRP B 21 -9.624 0.486 5.475 1.00 0.00 O ATOM 1264 CB TRP B 21 -8.750 0.322 2.205 1.00 0.00 C ATOM 1265 CG TRP B 21 -8.468 -0.768 1.230 1.00 0.00 C ATOM 1266 CD1 TRP B 21 -9.352 -1.595 0.601 1.00 0.00 C ATOM 1267 CD2 TRP B 21 -7.181 -1.117 0.758 1.00 0.00 C ATOM 1268 NE1 TRP B 21 -8.670 -2.451 -0.234 1.00 0.00 N ATOM 1269 CE2 TRP B 21 -7.331 -2.170 -0.154 1.00 0.00 C ATOM 1270 CE3 TRP B 21 -5.910 -0.631 1.030 1.00 0.00 C ATOM 1271 CZ2 TRP B 21 -6.239 -2.742 -0.801 1.00 0.00 C ATOM 1272 CZ3 TRP B 21 -4.837 -1.191 0.393 1.00 0.00 C ATOM 1273 CH2 TRP B 21 -5.001 -2.232 -0.511 1.00 0.00 C ATOM 0 H TRP B 21 -11.088 0.904 1.673 1.00 0.00 H new ATOM 0 HA TRP B 21 -9.877 -0.997 3.461 1.00 0.00 H new ATOM 0 HB2 TRP B 21 -8.965 1.237 1.652 1.00 0.00 H new ATOM 0 HB3 TRP B 21 -7.849 0.507 2.791 1.00 0.00 H new ATOM 0 HD1 TRP B 21 -10.423 -1.580 0.737 1.00 0.00 H new ATOM 0 HE1 TRP B 21 -9.092 -3.175 -0.816 1.00 0.00 H new ATOM 0 HE3 TRP B 21 -5.770 0.177 1.733 1.00 0.00 H new ATOM 0 HZ2 TRP B 21 -6.363 -3.554 -1.502 1.00 0.00 H new ATOM 0 HZ3 TRP B 21 -3.845 -0.817 0.597 1.00 0.00 H new ATOM 0 HH2 TRP B 21 -4.132 -2.650 -0.997 1.00 0.00 H new ATOM 1284 N HIS B 22 -9.835 2.252 4.101 1.00 0.00 N ATOM 1285 CA HIS B 22 -9.694 3.244 5.149 1.00 0.00 C ATOM 1286 C HIS B 22 -10.708 2.997 6.257 1.00 0.00 C ATOM 1287 O HIS B 22 -10.376 3.066 7.433 1.00 0.00 O ATOM 1288 CB HIS B 22 -9.883 4.647 4.572 1.00 0.00 C ATOM 1289 CG HIS B 22 -9.475 5.741 5.508 1.00 0.00 C ATOM 1290 ND1 HIS B 22 -8.261 6.276 5.754 1.00 0.00 N flip ATOM 1291 CD2 HIS B 22 -10.359 6.432 6.304 1.00 0.00 C flip ATOM 1292 CE1 HIS B 22 -8.428 7.269 6.683 1.00 0.00 C flip ATOM 1293 NE2 HIS B 22 -9.703 7.341 6.999 1.00 0.00 N flip ATOM 0 H HIS B 22 -9.995 2.642 3.172 1.00 0.00 H new ATOM 0 HA HIS B 22 -8.692 3.163 5.570 1.00 0.00 H new ATOM 0 HB2 HIS B 22 -9.305 4.733 3.652 1.00 0.00 H new ATOM 0 HB3 HIS B 22 -10.931 4.782 4.304 1.00 0.00 H new ATOM 0 HD2 HIS B 22 -11.424 6.257 6.352 1.00 0.00 H new ATOM 0 HE1 HIS B 22 -7.643 7.890 7.089 1.00 0.00 H new ATOM 0 HE2 HIS B 22 -10.115 7.991 7.669 1.00 0.00 H new ATOM 1302 N ASP B 23 -11.937 2.695 5.863 1.00 0.00 N ATOM 1303 CA ASP B 23 -13.022 2.475 6.814 1.00 0.00 C ATOM 1304 C ASP B 23 -12.729 1.294 7.744 1.00 0.00 C ATOM 1305 O ASP B 23 -12.715 1.439 8.974 1.00 0.00 O ATOM 1306 CB ASP B 23 -14.333 2.241 6.065 1.00 0.00 C ATOM 1307 CG ASP B 23 -15.520 2.154 6.999 1.00 0.00 C ATOM 1308 OD1 ASP B 23 -15.955 3.208 7.513 1.00 0.00 O ATOM 1309 OD2 ASP B 23 -16.028 1.037 7.219 1.00 0.00 O ATOM 0 H ASP B 23 -12.211 2.596 4.885 1.00 0.00 H new ATOM 0 HA ASP B 23 -13.111 3.369 7.432 1.00 0.00 H new ATOM 0 HB2 ASP B 23 -14.492 3.051 5.353 1.00 0.00 H new ATOM 0 HB3 ASP B 23 -14.260 1.319 5.488 1.00 0.00 H new ATOM 1314 N ARG B 24 -12.446 0.135 7.157 1.00 0.00 N ATOM 1315 CA ARG B 24 -12.255 -1.077 7.946 1.00 0.00 C ATOM 1316 C ARG B 24 -10.934 -1.013 8.700 1.00 0.00 C ATOM 1317 O ARG B 24 -10.832 -1.483 9.835 1.00 0.00 O ATOM 1318 CB ARG B 24 -12.272 -2.324 7.057 1.00 0.00 C ATOM 1319 CG ARG B 24 -13.558 -2.525 6.271 1.00 0.00 C ATOM 1320 CD ARG B 24 -14.779 -2.605 7.173 1.00 0.00 C ATOM 1321 NE ARG B 24 -15.947 -3.108 6.449 1.00 0.00 N ATOM 1322 CZ ARG B 24 -16.712 -2.375 5.633 1.00 0.00 C ATOM 1323 NH1 ARG B 24 -16.487 -1.079 5.464 1.00 0.00 N ATOM 1324 NH2 ARG B 24 -17.720 -2.949 4.996 1.00 0.00 N ATOM 0 H ARG B 24 -12.345 0.010 6.150 1.00 0.00 H new ATOM 0 HA ARG B 24 -13.079 -1.144 8.657 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -11.439 -2.266 6.356 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -12.103 -3.201 7.681 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -13.683 -1.703 5.566 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -13.483 -3.440 5.683 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -14.565 -3.257 8.020 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -14.998 -1.617 7.579 1.00 0.00 H new ATOM 0 HE ARG B 24 -16.196 -4.089 6.576 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -15.720 -0.626 5.961 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -17.081 -0.536 4.837 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -17.908 -3.943 5.129 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -18.309 -2.398 4.372 1.00 0.00 H new ATOM 1338 N LEU B 25 -9.932 -0.414 8.069 1.00 0.00 N ATOM 1339 CA LEU B 25 -8.631 -0.250 8.690 1.00 0.00 C ATOM 1340 C LEU B 25 -8.701 0.710 9.872 1.00 0.00 C ATOM 1341 O LEU B 25 -7.967 0.548 10.834 1.00 0.00 O ATOM 1342 CB LEU B 25 -7.595 0.233 7.671 1.00 0.00 C ATOM 1343 CG LEU B 25 -7.135 -0.823 6.658 1.00 0.00 C ATOM 1344 CD1 LEU B 25 -6.065 -0.252 5.743 1.00 0.00 C ATOM 1345 CD2 LEU B 25 -6.622 -2.066 7.372 1.00 0.00 C ATOM 0 H LEU B 25 -9.999 -0.034 7.125 1.00 0.00 H new ATOM 0 HA LEU B 25 -8.319 -1.226 9.063 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -8.012 1.079 7.125 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -6.722 0.601 8.210 1.00 0.00 H new ATOM 0 HG LEU B 25 -7.992 -1.110 6.049 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -5.750 -1.015 5.031 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -6.468 0.605 5.203 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -5.208 0.064 6.338 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -6.301 -2.802 6.635 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -5.779 -1.798 8.009 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -7.419 -2.489 7.984 1.00 0.00 H new ATOM 1357 N MET B 26 -9.582 1.707 9.799 1.00 0.00 N ATOM 1358 CA MET B 26 -9.777 2.629 10.918 1.00 0.00 C ATOM 1359 C MET B 26 -10.292 1.894 12.146 1.00 0.00 C ATOM 1360 O MET B 26 -9.853 2.160 13.270 1.00 0.00 O ATOM 1361 CB MET B 26 -10.735 3.765 10.553 1.00 0.00 C ATOM 1362 CG MET B 26 -10.084 4.888 9.761 1.00 0.00 C ATOM 1363 SD MET B 26 -8.829 5.784 10.702 1.00 0.00 S ATOM 1364 CE MET B 26 -9.809 6.418 12.062 1.00 0.00 C ATOM 0 H MET B 26 -10.167 1.896 8.985 1.00 0.00 H new ATOM 0 HA MET B 26 -8.804 3.063 11.147 1.00 0.00 H new ATOM 0 HB2 MET B 26 -11.563 3.357 9.973 1.00 0.00 H new ATOM 0 HB3 MET B 26 -11.160 4.178 11.468 1.00 0.00 H new ATOM 0 HG2 MET B 26 -9.628 4.473 8.862 1.00 0.00 H new ATOM 0 HG3 MET B 26 -10.853 5.588 9.435 1.00 0.00 H new ATOM 0 HE1 MET B 26 -9.291 7.259 12.523 1.00 0.00 H new ATOM 0 HE2 MET B 26 -10.778 6.749 11.689 1.00 0.00 H new ATOM 0 HE3 MET B 26 -9.955 5.632 12.803 1.00 0.00 H new ATOM 1374 N GLU B 27 -11.217 0.963 11.936 1.00 0.00 N ATOM 1375 CA GLU B 27 -11.730 0.167 13.043 1.00 0.00 C ATOM 1376 C GLU B 27 -10.606 -0.645 13.670 1.00 0.00 C ATOM 1377 O GLU B 27 -10.397 -0.605 14.882 1.00 0.00 O ATOM 1378 CB GLU B 27 -12.843 -0.774 12.585 1.00 0.00 C ATOM 1379 CG GLU B 27 -14.061 -0.072 12.008 1.00 0.00 C ATOM 1380 CD GLU B 27 -15.226 -1.020 11.830 1.00 0.00 C ATOM 1381 OE1 GLU B 27 -15.234 -1.783 10.841 1.00 0.00 O ATOM 1382 OE2 GLU B 27 -16.135 -1.018 12.690 1.00 0.00 O ATOM 0 H GLU B 27 -11.621 0.744 11.025 1.00 0.00 H new ATOM 0 HA GLU B 27 -12.143 0.854 13.781 1.00 0.00 H new ATOM 0 HB2 GLU B 27 -12.441 -1.454 11.834 1.00 0.00 H new ATOM 0 HB3 GLU B 27 -13.158 -1.384 13.432 1.00 0.00 H new ATOM 0 HG2 GLU B 27 -14.355 0.745 12.667 1.00 0.00 H new ATOM 0 HG3 GLU B 27 -13.803 0.371 11.046 1.00 0.00 H new ATOM 1389 N ILE B 28 -9.859 -1.344 12.822 1.00 0.00 N ATOM 1390 CA ILE B 28 -8.756 -2.186 13.271 1.00 0.00 C ATOM 1391 C ILE B 28 -7.674 -1.338 13.939 1.00 0.00 C ATOM 1392 O ILE B 28 -7.003 -1.778 14.876 1.00 0.00 O ATOM 1393 CB ILE B 28 -8.145 -2.965 12.082 1.00 0.00 C ATOM 1394 CG1 ILE B 28 -9.215 -3.833 11.415 1.00 0.00 C ATOM 1395 CG2 ILE B 28 -6.974 -3.823 12.538 1.00 0.00 C ATOM 1396 CD1 ILE B 28 -8.739 -4.533 10.159 1.00 0.00 C ATOM 0 H ILE B 28 -9.999 -1.343 11.812 1.00 0.00 H new ATOM 0 HA ILE B 28 -9.149 -2.899 13.996 1.00 0.00 H new ATOM 0 HB ILE B 28 -7.772 -2.244 11.355 1.00 0.00 H new ATOM 0 HG12 ILE B 28 -9.559 -4.582 12.129 1.00 0.00 H new ATOM 0 HG13 ILE B 28 -10.074 -3.209 11.169 1.00 0.00 H new ATOM 0 HG21 ILE B 28 -6.562 -4.360 11.684 1.00 0.00 H new ATOM 0 HG22 ILE B 28 -6.203 -3.186 12.972 1.00 0.00 H new ATOM 0 HG23 ILE B 28 -7.317 -4.538 13.286 1.00 0.00 H new ATOM 0 HD11 ILE B 28 -9.552 -5.128 9.744 1.00 0.00 H new ATOM 0 HD12 ILE B 28 -8.422 -3.791 9.426 1.00 0.00 H new ATOM 0 HD13 ILE B 28 -7.899 -5.184 10.401 1.00 0.00 H new ATOM 1408 N ALA B 29 -7.541 -0.110 13.455 1.00 0.00 N ATOM 1409 CA ALA B 29 -6.537 0.819 13.948 1.00 0.00 C ATOM 1410 C ALA B 29 -6.743 1.122 15.424 1.00 0.00 C ATOM 1411 O ALA B 29 -5.788 1.146 16.199 1.00 0.00 O ATOM 1412 CB ALA B 29 -6.563 2.106 13.137 1.00 0.00 C ATOM 0 H ALA B 29 -8.126 0.268 12.710 1.00 0.00 H new ATOM 0 HA ALA B 29 -5.560 0.348 13.834 1.00 0.00 H new ATOM 0 HB1 ALA B 29 -5.806 2.791 13.518 1.00 0.00 H new ATOM 0 HB2 ALA B 29 -6.355 1.881 12.091 1.00 0.00 H new ATOM 0 HB3 ALA B 29 -7.546 2.569 13.220 1.00 0.00 H new ATOM 1418 N LYS B 30 -7.990 1.317 15.826 1.00 0.00 N ATOM 1419 CA LYS B 30 -8.273 1.674 17.207 1.00 0.00 C ATOM 1420 C LYS B 30 -8.229 0.441 18.093 1.00 0.00 C ATOM 1421 O LYS B 30 -7.883 0.525 19.273 1.00 0.00 O ATOM 1422 CB LYS B 30 -9.640 2.345 17.332 1.00 0.00 C ATOM 1423 CG LYS B 30 -9.843 3.503 16.367 1.00 0.00 C ATOM 1424 CD LYS B 30 -10.888 4.485 16.878 1.00 0.00 C ATOM 1425 CE LYS B 30 -12.251 3.835 17.063 1.00 0.00 C ATOM 1426 NZ LYS B 30 -13.221 4.765 17.702 1.00 0.00 N ATOM 0 H LYS B 30 -8.811 1.236 15.226 1.00 0.00 H new ATOM 0 HA LYS B 30 -7.508 2.379 17.532 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -10.417 1.600 17.161 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -9.765 2.708 18.352 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -8.897 4.023 16.218 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -10.151 3.117 15.395 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -10.556 4.904 17.828 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -10.976 5.315 16.177 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -12.637 3.516 16.095 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -12.147 2.940 17.676 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -14.138 4.288 17.812 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -12.865 5.050 18.637 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -13.339 5.608 17.105 1.00 0.00 H new ATOM 1440 N GLU B 31 -8.571 -0.700 17.514 1.00 0.00 N ATOM 1441 CA GLU B 31 -8.549 -1.959 18.243 1.00 0.00 C ATOM 1442 C GLU B 31 -7.131 -2.301 18.692 1.00 0.00 C ATOM 1443 O GLU B 31 -6.893 -2.618 19.858 1.00 0.00 O ATOM 1444 CB GLU B 31 -9.097 -3.096 17.381 1.00 0.00 C ATOM 1445 CG GLU B 31 -10.518 -2.880 16.899 1.00 0.00 C ATOM 1446 CD GLU B 31 -10.992 -4.005 16.005 1.00 0.00 C ATOM 1447 OE1 GLU B 31 -10.140 -4.649 15.355 1.00 0.00 O ATOM 1448 OE2 GLU B 31 -12.212 -4.264 15.961 1.00 0.00 O ATOM 0 H GLU B 31 -8.867 -0.780 16.541 1.00 0.00 H new ATOM 0 HA GLU B 31 -9.183 -1.842 19.122 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -8.447 -3.226 16.515 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -9.056 -4.023 17.953 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -11.183 -2.795 17.758 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -10.577 -1.937 16.356 1.00 0.00 H new ATOM 1455 N LYS B 32 -6.192 -2.218 17.754 1.00 0.00 N ATOM 1456 CA LYS B 32 -4.815 -2.636 17.997 1.00 0.00 C ATOM 1457 C LYS B 32 -3.922 -1.462 18.402 1.00 0.00 C ATOM 1458 O LYS B 32 -2.734 -1.647 18.672 1.00 0.00 O ATOM 1459 CB LYS B 32 -4.231 -3.352 16.767 1.00 0.00 C ATOM 1460 CG LYS B 32 -4.770 -4.765 16.557 1.00 0.00 C ATOM 1461 CD LYS B 32 -6.163 -4.774 15.942 1.00 0.00 C ATOM 1462 CE LYS B 32 -6.756 -6.177 15.928 1.00 0.00 C ATOM 1463 NZ LYS B 32 -8.049 -6.241 15.191 1.00 0.00 N ATOM 0 H LYS B 32 -6.361 -1.863 16.813 1.00 0.00 H new ATOM 0 HA LYS B 32 -4.839 -3.337 18.832 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -4.443 -2.757 15.878 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -3.147 -3.399 16.868 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -4.088 -5.318 15.911 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -4.796 -5.286 17.514 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -6.815 -4.107 16.506 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -6.115 -4.387 14.924 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -6.045 -6.864 15.469 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -6.909 -6.514 16.953 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -8.652 -6.978 15.610 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -8.531 -5.322 15.255 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -7.868 -6.469 14.192 1.00 0.00 H new ATOM 1477 N ASN B 33 -4.501 -0.259 18.418 1.00 0.00 N ATOM 1478 CA ASN B 33 -3.788 0.965 18.818 1.00 0.00 C ATOM 1479 C ASN B 33 -2.679 1.309 17.830 1.00 0.00 C ATOM 1480 O ASN B 33 -1.556 1.638 18.215 1.00 0.00 O ATOM 1481 CB ASN B 33 -3.213 0.838 20.235 1.00 0.00 C ATOM 1482 CG ASN B 33 -4.279 0.911 21.309 1.00 0.00 C ATOM 1483 OD1 ASN B 33 -5.297 1.582 21.147 1.00 0.00 O ATOM 1484 ND2 ASN B 33 -4.059 0.214 22.412 1.00 0.00 N ATOM 0 H ASN B 33 -5.474 -0.102 18.156 1.00 0.00 H new ATOM 0 HA ASN B 33 -4.516 1.776 18.814 1.00 0.00 H new ATOM 0 HB2 ASN B 33 -2.680 -0.109 20.322 1.00 0.00 H new ATOM 0 HB3 ASN B 33 -2.484 1.631 20.399 1.00 0.00 H new ATOM 0 HD21 ASN B 33 -4.747 0.221 23.165 1.00 0.00 H new ATOM 0 HD22 ASN B 33 -3.202 -0.330 22.509 1.00 0.00 H new ATOM 1491 N LEU B 34 -3.019 1.249 16.555 1.00 0.00 N ATOM 1492 CA LEU B 34 -2.090 1.546 15.474 1.00 0.00 C ATOM 1493 C LEU B 34 -2.751 2.507 14.497 1.00 0.00 C ATOM 1494 O LEU B 34 -3.955 2.730 14.574 1.00 0.00 O ATOM 1495 CB LEU B 34 -1.694 0.258 14.740 1.00 0.00 C ATOM 1496 CG LEU B 34 -0.955 -0.785 15.579 1.00 0.00 C ATOM 1497 CD1 LEU B 34 -0.786 -2.075 14.787 1.00 0.00 C ATOM 1498 CD2 LEU B 34 0.397 -0.247 16.025 1.00 0.00 C ATOM 0 H LEU B 34 -3.953 0.991 16.236 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.191 2.000 15.891 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -2.597 -0.201 14.337 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -1.066 0.525 13.890 1.00 0.00 H new ATOM 0 HG LEU B 34 -1.547 -1.001 16.468 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -0.258 -2.809 15.396 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -1.766 -2.466 14.515 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -0.212 -1.874 13.882 1.00 0.00 H new ATOM 0 HD21 LEU B 34 0.910 -1.002 16.621 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.999 -0.005 15.149 1.00 0.00 H new ATOM 0 HD23 LEU B 34 0.251 0.652 16.625 1.00 0.00 H new ATOM 1510 N THR B 35 -1.978 3.098 13.601 1.00 0.00 N ATOM 1511 CA THR B 35 -2.558 3.920 12.553 1.00 0.00 C ATOM 1512 C THR B 35 -2.532 3.168 11.233 1.00 0.00 C ATOM 1513 O THR B 35 -1.774 2.210 11.081 1.00 0.00 O ATOM 1514 CB THR B 35 -1.818 5.266 12.388 1.00 0.00 C ATOM 1515 OG1 THR B 35 -0.464 5.039 11.971 1.00 0.00 O ATOM 1516 CG2 THR B 35 -1.825 6.054 13.691 1.00 0.00 C ATOM 0 H THR B 35 -0.961 3.026 13.578 1.00 0.00 H new ATOM 0 HA THR B 35 -3.585 4.137 12.845 1.00 0.00 H new ATOM 0 HB THR B 35 -2.339 5.846 11.627 1.00 0.00 H new ATOM 0 HG1 THR B 35 0.086 4.817 12.751 1.00 0.00 H new ATOM 0 HG21 THR B 35 -1.298 6.997 13.549 1.00 0.00 H new ATOM 0 HG22 THR B 35 -2.854 6.255 13.989 1.00 0.00 H new ATOM 0 HG23 THR B 35 -1.328 5.475 14.469 1.00 0.00 H new ATOM 1524 N LEU B 36 -3.362 3.585 10.289 1.00 0.00 N ATOM 1525 CA LEU B 36 -3.393 2.958 8.976 1.00 0.00 C ATOM 1526 C LEU B 36 -2.017 3.046 8.321 1.00 0.00 C ATOM 1527 O LEU B 36 -1.587 2.130 7.618 1.00 0.00 O ATOM 1528 CB LEU B 36 -4.461 3.608 8.087 1.00 0.00 C ATOM 1529 CG LEU B 36 -4.143 5.005 7.535 1.00 0.00 C ATOM 1530 CD1 LEU B 36 -5.136 5.364 6.446 1.00 0.00 C ATOM 1531 CD2 LEU B 36 -4.172 6.063 8.630 1.00 0.00 C ATOM 0 H LEU B 36 -4.022 4.354 10.407 1.00 0.00 H new ATOM 0 HA LEU B 36 -3.654 1.907 9.099 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -4.651 2.944 7.244 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -5.387 3.671 8.659 1.00 0.00 H new ATOM 0 HG LEU B 36 -3.135 4.980 7.122 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -4.907 6.356 6.057 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -5.071 4.634 5.639 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -6.145 5.360 6.858 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -3.942 7.038 8.200 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -5.163 6.091 9.083 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -3.432 5.819 9.392 1.00 0.00 H new ATOM 1543 N SER B 37 -1.333 4.153 8.582 1.00 0.00 N ATOM 1544 CA SER B 37 0.036 4.346 8.140 1.00 0.00 C ATOM 1545 C SER B 37 0.932 3.223 8.664 1.00 0.00 C ATOM 1546 O SER B 37 1.744 2.656 7.924 1.00 0.00 O ATOM 1547 CB SER B 37 0.545 5.699 8.637 1.00 0.00 C ATOM 1548 OG SER B 37 -0.338 6.746 8.261 1.00 0.00 O ATOM 0 H SER B 37 -1.715 4.940 9.106 1.00 0.00 H new ATOM 0 HA SER B 37 0.063 4.326 7.051 1.00 0.00 H new ATOM 0 HB2 SER B 37 0.647 5.677 9.722 1.00 0.00 H new ATOM 0 HB3 SER B 37 1.537 5.891 8.228 1.00 0.00 H new ATOM 0 HG SER B 37 0.181 7.509 7.931 1.00 0.00 H new ATOM 1554 N ASP B 38 0.762 2.896 9.943 1.00 0.00 N ATOM 1555 CA ASP B 38 1.525 1.825 10.569 1.00 0.00 C ATOM 1556 C ASP B 38 1.157 0.488 9.958 1.00 0.00 C ATOM 1557 O ASP B 38 2.027 -0.271 9.558 1.00 0.00 O ATOM 1558 CB ASP B 38 1.278 1.765 12.079 1.00 0.00 C ATOM 1559 CG ASP B 38 1.745 3.003 12.812 1.00 0.00 C ATOM 1560 OD1 ASP B 38 2.916 3.399 12.643 1.00 0.00 O ATOM 1561 OD2 ASP B 38 0.942 3.578 13.576 1.00 0.00 O ATOM 0 H ASP B 38 0.100 3.360 10.565 1.00 0.00 H new ATOM 0 HA ASP B 38 2.580 2.037 10.395 1.00 0.00 H new ATOM 0 HB2 ASP B 38 0.212 1.624 12.260 1.00 0.00 H new ATOM 0 HB3 ASP B 38 1.789 0.894 12.489 1.00 0.00 H new ATOM 1566 N VAL B 39 -0.137 0.225 9.853 1.00 0.00 N ATOM 1567 CA VAL B 39 -0.620 -1.063 9.367 1.00 0.00 C ATOM 1568 C VAL B 39 -0.113 -1.337 7.953 1.00 0.00 C ATOM 1569 O VAL B 39 0.240 -2.469 7.626 1.00 0.00 O ATOM 1570 CB VAL B 39 -2.165 -1.125 9.378 1.00 0.00 C ATOM 1571 CG1 VAL B 39 -2.664 -2.477 8.890 1.00 0.00 C ATOM 1572 CG2 VAL B 39 -2.704 -0.831 10.769 1.00 0.00 C ATOM 0 H VAL B 39 -0.874 0.886 10.098 1.00 0.00 H new ATOM 0 HA VAL B 39 -0.233 -1.827 10.042 1.00 0.00 H new ATOM 0 HB VAL B 39 -2.534 -0.361 8.694 1.00 0.00 H new ATOM 0 HG11 VAL B 39 -3.754 -2.491 8.909 1.00 0.00 H new ATOM 0 HG12 VAL B 39 -2.316 -2.647 7.871 1.00 0.00 H new ATOM 0 HG13 VAL B 39 -2.280 -3.263 9.540 1.00 0.00 H new ATOM 0 HG21 VAL B 39 -3.793 -0.880 10.755 1.00 0.00 H new ATOM 0 HG22 VAL B 39 -2.317 -1.568 11.473 1.00 0.00 H new ATOM 0 HG23 VAL B 39 -2.389 0.166 11.078 1.00 0.00 H new ATOM 1582 N CYS B 40 -0.044 -0.295 7.133 1.00 0.00 N ATOM 1583 CA CYS B 40 0.406 -0.442 5.754 1.00 0.00 C ATOM 1584 C CYS B 40 1.894 -0.845 5.706 1.00 0.00 C ATOM 1585 O CYS B 40 2.240 -1.901 5.168 1.00 0.00 O ATOM 1586 CB CYS B 40 0.140 0.857 4.969 1.00 0.00 C ATOM 1587 SG CYS B 40 -0.235 0.615 3.225 1.00 0.00 S ATOM 0 H CYS B 40 -0.293 0.658 7.398 1.00 0.00 H new ATOM 0 HA CYS B 40 -0.161 -1.242 5.279 1.00 0.00 H new ATOM 0 HB2 CYS B 40 -0.692 1.385 5.436 1.00 0.00 H new ATOM 0 HB3 CYS B 40 1.014 1.502 5.053 1.00 0.00 H new ATOM 0 HG CYS B 40 -0.109 -0.644 2.925 1.00 0.00 H new ATOM 1593 N ARG B 41 2.773 -0.016 6.280 1.00 0.00 N ATOM 1594 CA ARG B 41 4.203 -0.329 6.340 1.00 0.00 C ATOM 1595 C ARG B 41 4.489 -1.635 7.093 1.00 0.00 C ATOM 1596 O ARG B 41 5.375 -2.393 6.705 1.00 0.00 O ATOM 1597 CB ARG B 41 4.987 0.820 6.988 1.00 0.00 C ATOM 1598 CG ARG B 41 4.576 1.126 8.420 1.00 0.00 C ATOM 1599 CD ARG B 41 5.609 1.992 9.121 1.00 0.00 C ATOM 1600 NE ARG B 41 5.170 2.404 10.452 1.00 0.00 N ATOM 1601 CZ ARG B 41 5.981 2.536 11.504 1.00 0.00 C ATOM 1602 NH1 ARG B 41 7.277 2.260 11.396 1.00 0.00 N ATOM 1603 NH2 ARG B 41 5.487 2.942 12.665 1.00 0.00 N ATOM 0 H ARG B 41 2.519 0.874 6.708 1.00 0.00 H new ATOM 0 HA ARG B 41 4.532 -0.461 5.309 1.00 0.00 H new ATOM 0 HB2 ARG B 41 6.049 0.575 6.971 1.00 0.00 H new ATOM 0 HB3 ARG B 41 4.858 1.719 6.385 1.00 0.00 H new ATOM 0 HG2 ARG B 41 3.611 1.634 8.423 1.00 0.00 H new ATOM 0 HG3 ARG B 41 4.447 0.194 8.970 1.00 0.00 H new ATOM 0 HD2 ARG B 41 6.546 1.442 9.203 1.00 0.00 H new ATOM 0 HD3 ARG B 41 5.810 2.876 8.516 1.00 0.00 H new ATOM 0 HE ARG B 41 4.179 2.604 10.586 1.00 0.00 H new ATOM 0 HH11 ARG B 41 7.659 1.945 10.504 1.00 0.00 H new ATOM 0 HH12 ARG B 41 7.890 2.364 12.205 1.00 0.00 H new ATOM 0 HH21 ARG B 41 4.492 3.152 12.751 1.00 0.00 H new ATOM 0 HH22 ARG B 41 6.101 3.045 13.473 1.00 0.00 H new ATOM 1617 N LEU B 42 3.745 -1.907 8.162 1.00 0.00 N ATOM 1618 CA LEU B 42 3.954 -3.131 8.935 1.00 0.00 C ATOM 1619 C LEU B 42 3.533 -4.341 8.118 1.00 0.00 C ATOM 1620 O LEU B 42 4.025 -5.452 8.320 1.00 0.00 O ATOM 1621 CB LEU B 42 3.187 -3.091 10.261 1.00 0.00 C ATOM 1622 CG LEU B 42 3.625 -1.996 11.236 1.00 0.00 C ATOM 1623 CD1 LEU B 42 2.780 -2.043 12.501 1.00 0.00 C ATOM 1624 CD2 LEU B 42 5.102 -2.138 11.572 1.00 0.00 C ATOM 0 H LEU B 42 3.000 -1.305 8.511 1.00 0.00 H new ATOM 0 HA LEU B 42 5.016 -3.208 9.167 1.00 0.00 H new ATOM 0 HB2 LEU B 42 2.127 -2.959 10.045 1.00 0.00 H new ATOM 0 HB3 LEU B 42 3.294 -4.057 10.753 1.00 0.00 H new ATOM 0 HG LEU B 42 3.476 -1.028 10.758 1.00 0.00 H new ATOM 0 HD11 LEU B 42 3.104 -1.258 13.184 1.00 0.00 H new ATOM 0 HD12 LEU B 42 1.732 -1.891 12.244 1.00 0.00 H new ATOM 0 HD13 LEU B 42 2.898 -3.014 12.982 1.00 0.00 H new ATOM 0 HD21 LEU B 42 5.395 -1.350 12.266 1.00 0.00 H new ATOM 0 HD22 LEU B 42 5.279 -3.111 12.031 1.00 0.00 H new ATOM 0 HD23 LEU B 42 5.692 -2.055 10.660 1.00 0.00 H new ATOM 1636 N ALA B 43 2.628 -4.115 7.183 1.00 0.00 N ATOM 1637 CA ALA B 43 2.222 -5.154 6.263 1.00 0.00 C ATOM 1638 C ALA B 43 3.307 -5.401 5.225 1.00 0.00 C ATOM 1639 O ALA B 43 3.377 -6.479 4.648 1.00 0.00 O ATOM 1640 CB ALA B 43 0.916 -4.793 5.595 1.00 0.00 C ATOM 0 H ALA B 43 2.161 -3.219 7.043 1.00 0.00 H new ATOM 0 HA ALA B 43 2.072 -6.074 6.828 1.00 0.00 H new ATOM 0 HB1 ALA B 43 0.628 -5.587 4.907 1.00 0.00 H new ATOM 0 HB2 ALA B 43 0.142 -4.670 6.352 1.00 0.00 H new ATOM 0 HB3 ALA B 43 1.035 -3.860 5.043 1.00 0.00 H new ATOM 1646 N ILE B 44 4.149 -4.399 4.979 1.00 0.00 N ATOM 1647 CA ILE B 44 5.312 -4.584 4.119 1.00 0.00 C ATOM 1648 C ILE B 44 6.290 -5.517 4.815 1.00 0.00 C ATOM 1649 O ILE B 44 6.919 -6.368 4.190 1.00 0.00 O ATOM 1650 CB ILE B 44 6.030 -3.256 3.786 1.00 0.00 C ATOM 1651 CG1 ILE B 44 5.058 -2.253 3.158 1.00 0.00 C ATOM 1652 CG2 ILE B 44 7.207 -3.512 2.851 1.00 0.00 C ATOM 1653 CD1 ILE B 44 5.701 -0.926 2.798 1.00 0.00 C ATOM 0 H ILE B 44 4.048 -3.458 5.360 1.00 0.00 H new ATOM 0 HA ILE B 44 4.961 -5.005 3.177 1.00 0.00 H new ATOM 0 HB ILE B 44 6.406 -2.828 4.715 1.00 0.00 H new ATOM 0 HG12 ILE B 44 4.625 -2.693 2.259 1.00 0.00 H new ATOM 0 HG13 ILE B 44 4.237 -2.073 3.852 1.00 0.00 H new ATOM 0 HG21 ILE B 44 7.704 -2.569 2.625 1.00 0.00 H new ATOM 0 HG22 ILE B 44 7.914 -4.188 3.332 1.00 0.00 H new ATOM 0 HG23 ILE B 44 6.846 -3.963 1.927 1.00 0.00 H new ATOM 0 HD11 ILE B 44 4.953 -0.267 2.358 1.00 0.00 H new ATOM 0 HD12 ILE B 44 6.109 -0.464 3.697 1.00 0.00 H new ATOM 0 HD13 ILE B 44 6.504 -1.094 2.080 1.00 0.00 H new ATOM 1665 N LYS B 45 6.402 -5.343 6.125 1.00 0.00 N ATOM 1666 CA LYS B 45 7.196 -6.235 6.954 1.00 0.00 C ATOM 1667 C LYS B 45 6.686 -7.668 6.811 1.00 0.00 C ATOM 1668 O LYS B 45 7.467 -8.607 6.679 1.00 0.00 O ATOM 1669 CB LYS B 45 7.137 -5.781 8.418 1.00 0.00 C ATOM 1670 CG LYS B 45 7.847 -6.708 9.395 1.00 0.00 C ATOM 1671 CD LYS B 45 9.329 -6.830 9.086 1.00 0.00 C ATOM 1672 CE LYS B 45 10.050 -7.641 10.149 1.00 0.00 C ATOM 1673 NZ LYS B 45 11.490 -7.810 9.830 1.00 0.00 N ATOM 0 H LYS B 45 5.949 -4.586 6.638 1.00 0.00 H new ATOM 0 HA LYS B 45 8.235 -6.203 6.625 1.00 0.00 H new ATOM 0 HB2 LYS B 45 7.577 -4.787 8.495 1.00 0.00 H new ATOM 0 HB3 LYS B 45 6.092 -5.691 8.716 1.00 0.00 H new ATOM 0 HG2 LYS B 45 7.718 -6.333 10.410 1.00 0.00 H new ATOM 0 HG3 LYS B 45 7.386 -7.695 9.359 1.00 0.00 H new ATOM 0 HD2 LYS B 45 9.462 -7.302 8.113 1.00 0.00 H new ATOM 0 HD3 LYS B 45 9.772 -5.836 9.021 1.00 0.00 H new ATOM 0 HE2 LYS B 45 9.947 -7.147 11.115 1.00 0.00 H new ATOM 0 HE3 LYS B 45 9.580 -8.620 10.240 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 11.948 -8.369 10.578 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 11.588 -8.304 8.920 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 11.944 -6.876 9.768 1.00 0.00 H new ATOM 1687 N GLU B 46 5.364 -7.810 6.796 1.00 0.00 N ATOM 1688 CA GLU B 46 4.717 -9.106 6.637 1.00 0.00 C ATOM 1689 C GLU B 46 4.951 -9.622 5.220 1.00 0.00 C ATOM 1690 O GLU B 46 5.150 -10.818 4.992 1.00 0.00 O ATOM 1691 CB GLU B 46 3.212 -8.959 6.900 1.00 0.00 C ATOM 1692 CG GLU B 46 2.436 -10.266 6.893 1.00 0.00 C ATOM 1693 CD GLU B 46 2.492 -10.994 8.220 1.00 0.00 C ATOM 1694 OE1 GLU B 46 3.576 -11.481 8.599 1.00 0.00 O ATOM 1695 OE2 GLU B 46 1.443 -11.091 8.889 1.00 0.00 O ATOM 0 H GLU B 46 4.713 -7.031 6.894 1.00 0.00 H new ATOM 0 HA GLU B 46 5.138 -9.816 7.349 1.00 0.00 H new ATOM 0 HB2 GLU B 46 3.071 -8.474 7.866 1.00 0.00 H new ATOM 0 HB3 GLU B 46 2.788 -8.296 6.146 1.00 0.00 H new ATOM 0 HG2 GLU B 46 1.395 -10.063 6.640 1.00 0.00 H new ATOM 0 HG3 GLU B 46 2.834 -10.914 6.112 1.00 0.00 H new ATOM 1702 N TYR B 47 4.945 -8.689 4.279 1.00 0.00 N ATOM 1703 CA TYR B 47 5.146 -8.986 2.875 1.00 0.00 C ATOM 1704 C TYR B 47 6.538 -9.571 2.657 1.00 0.00 C ATOM 1705 O TYR B 47 6.696 -10.594 1.996 1.00 0.00 O ATOM 1706 CB TYR B 47 4.964 -7.703 2.053 1.00 0.00 C ATOM 1707 CG TYR B 47 5.002 -7.894 0.550 1.00 0.00 C ATOM 1708 CD1 TYR B 47 6.204 -7.887 -0.147 1.00 0.00 C ATOM 1709 CD2 TYR B 47 3.827 -8.064 -0.173 1.00 0.00 C ATOM 1710 CE1 TYR B 47 6.233 -8.048 -1.521 1.00 0.00 C ATOM 1711 CE2 TYR B 47 3.846 -8.221 -1.546 1.00 0.00 C ATOM 1712 CZ TYR B 47 5.051 -8.214 -2.215 1.00 0.00 C ATOM 1713 OH TYR B 47 5.077 -8.366 -3.586 1.00 0.00 O ATOM 0 H TYR B 47 4.799 -7.698 4.474 1.00 0.00 H new ATOM 0 HA TYR B 47 4.412 -9.723 2.550 1.00 0.00 H new ATOM 0 HB2 TYR B 47 4.010 -7.249 2.322 1.00 0.00 H new ATOM 0 HB3 TYR B 47 5.744 -6.996 2.334 1.00 0.00 H new ATOM 0 HD1 TYR B 47 7.130 -7.754 0.392 1.00 0.00 H new ATOM 0 HD2 TYR B 47 2.881 -8.074 0.348 1.00 0.00 H new ATOM 0 HE1 TYR B 47 7.176 -8.044 -2.048 1.00 0.00 H new ATOM 0 HE2 TYR B 47 2.922 -8.348 -2.091 1.00 0.00 H new ATOM 0 HH TYR B 47 4.162 -8.473 -3.921 1.00 0.00 H new ATOM 1723 N LEU B 48 7.540 -8.921 3.231 1.00 0.00 N ATOM 1724 CA LEU B 48 8.916 -9.385 3.122 1.00 0.00 C ATOM 1725 C LEU B 48 9.090 -10.715 3.847 1.00 0.00 C ATOM 1726 O LEU B 48 9.665 -11.662 3.309 1.00 0.00 O ATOM 1727 CB LEU B 48 9.878 -8.349 3.713 1.00 0.00 C ATOM 1728 CG LEU B 48 9.772 -6.940 3.120 1.00 0.00 C ATOM 1729 CD1 LEU B 48 10.760 -6.001 3.796 1.00 0.00 C ATOM 1730 CD2 LEU B 48 10.010 -6.972 1.617 1.00 0.00 C ATOM 0 H LEU B 48 7.426 -8.068 3.779 1.00 0.00 H new ATOM 0 HA LEU B 48 9.145 -9.523 2.065 1.00 0.00 H new ATOM 0 HB2 LEU B 48 9.703 -8.287 4.787 1.00 0.00 H new ATOM 0 HB3 LEU B 48 10.899 -8.706 3.576 1.00 0.00 H new ATOM 0 HG LEU B 48 8.764 -6.567 3.300 1.00 0.00 H new ATOM 0 HD11 LEU B 48 10.671 -5.005 3.362 1.00 0.00 H new ATOM 0 HD12 LEU B 48 10.544 -5.953 4.863 1.00 0.00 H new ATOM 0 HD13 LEU B 48 11.774 -6.372 3.648 1.00 0.00 H new ATOM 0 HD21 LEU B 48 9.931 -5.962 1.214 1.00 0.00 H new ATOM 0 HD22 LEU B 48 11.006 -7.366 1.415 1.00 0.00 H new ATOM 0 HD23 LEU B 48 9.264 -7.611 1.144 1.00 0.00 H new ATOM 1742 N ASP B 49 8.551 -10.777 5.059 1.00 0.00 N ATOM 1743 CA ASP B 49 8.715 -11.933 5.937 1.00 0.00 C ATOM 1744 C ASP B 49 8.175 -13.212 5.301 1.00 0.00 C ATOM 1745 O ASP B 49 8.867 -14.227 5.251 1.00 0.00 O ATOM 1746 CB ASP B 49 8.002 -11.673 7.267 1.00 0.00 C ATOM 1747 CG ASP B 49 8.345 -12.694 8.335 1.00 0.00 C ATOM 1748 OD1 ASP B 49 7.706 -13.763 8.372 1.00 0.00 O ATOM 1749 OD2 ASP B 49 9.249 -12.419 9.158 1.00 0.00 O ATOM 0 H ASP B 49 7.988 -10.028 5.462 1.00 0.00 H new ATOM 0 HA ASP B 49 9.782 -12.075 6.108 1.00 0.00 H new ATOM 0 HB2 ASP B 49 8.266 -10.678 7.626 1.00 0.00 H new ATOM 0 HB3 ASP B 49 6.925 -11.677 7.102 1.00 0.00 H new ATOM 1754 N ASN B 50 6.947 -13.152 4.801 1.00 0.00 N ATOM 1755 CA ASN B 50 6.279 -14.341 4.266 1.00 0.00 C ATOM 1756 C ASN B 50 6.703 -14.663 2.839 1.00 0.00 C ATOM 1757 O ASN B 50 6.436 -15.757 2.348 1.00 0.00 O ATOM 1758 CB ASN B 50 4.760 -14.177 4.328 1.00 0.00 C ATOM 1759 CG ASN B 50 4.249 -14.173 5.752 1.00 0.00 C ATOM 1760 OD1 ASN B 50 3.907 -15.218 6.311 1.00 0.00 O ATOM 1761 ND2 ASN B 50 4.199 -12.998 6.345 1.00 0.00 N ATOM 0 H ASN B 50 6.392 -12.298 4.753 1.00 0.00 H new ATOM 0 HA ASN B 50 6.585 -15.178 4.894 1.00 0.00 H new ATOM 0 HB2 ASN B 50 4.475 -13.246 3.838 1.00 0.00 H new ATOM 0 HB3 ASN B 50 4.285 -14.987 3.774 1.00 0.00 H new ATOM 0 HD21 ASN B 50 3.867 -12.926 7.307 1.00 0.00 H new ATOM 0 HD22 ASN B 50 4.493 -12.160 5.843 1.00 0.00 H new ATOM 1768 N HIS B 51 7.359 -13.727 2.164 1.00 0.00 N ATOM 1769 CA HIS B 51 7.805 -13.971 0.793 1.00 0.00 C ATOM 1770 C HIS B 51 9.192 -14.591 0.786 1.00 0.00 C ATOM 1771 O HIS B 51 9.480 -15.483 -0.013 1.00 0.00 O ATOM 1772 CB HIS B 51 7.783 -12.687 -0.045 1.00 0.00 C ATOM 1773 CG HIS B 51 6.423 -12.356 -0.590 1.00 0.00 C ATOM 1774 ND1 HIS B 51 6.190 -12.069 -1.920 1.00 0.00 N ATOM 1775 CD2 HIS B 51 5.220 -12.264 0.023 1.00 0.00 C ATOM 1776 CE1 HIS B 51 4.908 -11.818 -2.094 1.00 0.00 C ATOM 1777 NE2 HIS B 51 4.301 -11.928 -0.932 1.00 0.00 N ATOM 0 H HIS B 51 7.592 -12.805 2.534 1.00 0.00 H new ATOM 0 HA HIS B 51 7.106 -14.673 0.338 1.00 0.00 H new ATOM 0 HB2 HIS B 51 8.134 -11.856 0.567 1.00 0.00 H new ATOM 0 HB3 HIS B 51 8.484 -12.790 -0.874 1.00 0.00 H new ATOM 0 HD2 HIS B 51 5.022 -12.426 1.072 1.00 0.00 H new ATOM 0 HE1 HIS B 51 4.436 -11.565 -3.032 1.00 0.00 H new ATOM 0 HE2 HIS B 51 3.304 -11.785 -0.769 1.00 0.00 H new ATOM 1786 N ASP B 52 10.045 -14.135 1.691 1.00 0.00 N ATOM 1787 CA ASP B 52 11.361 -14.731 1.853 1.00 0.00 C ATOM 1788 C ASP B 52 11.267 -15.820 2.911 1.00 0.00 C ATOM 1789 O ASP B 52 11.606 -15.614 4.079 1.00 0.00 O ATOM 1790 CB ASP B 52 12.394 -13.672 2.249 1.00 0.00 C ATOM 1791 CG ASP B 52 13.821 -14.155 2.068 1.00 0.00 C ATOM 1792 OD1 ASP B 52 14.334 -14.086 0.929 1.00 0.00 O ATOM 1793 OD2 ASP B 52 14.445 -14.588 3.056 1.00 0.00 O ATOM 0 H ASP B 52 9.850 -13.357 2.322 1.00 0.00 H new ATOM 0 HA ASP B 52 11.689 -15.164 0.908 1.00 0.00 H new ATOM 0 HB2 ASP B 52 12.239 -12.775 1.649 1.00 0.00 H new ATOM 0 HB3 ASP B 52 12.239 -13.389 3.290 1.00 0.00 H new ATOM 1798 N LYS B 53 10.766 -16.972 2.487 1.00 0.00 N ATOM 1799 CA LYS B 53 10.433 -18.059 3.400 1.00 0.00 C ATOM 1800 C LYS B 53 11.677 -18.801 3.872 1.00 0.00 C ATOM 1801 O LYS B 53 11.655 -19.449 4.922 1.00 0.00 O ATOM 1802 CB LYS B 53 9.482 -19.051 2.725 1.00 0.00 C ATOM 1803 CG LYS B 53 8.253 -18.410 2.100 1.00 0.00 C ATOM 1804 CD LYS B 53 7.373 -19.451 1.428 1.00 0.00 C ATOM 1805 CE LYS B 53 6.231 -18.815 0.649 1.00 0.00 C ATOM 1806 NZ LYS B 53 5.310 -18.041 1.520 1.00 0.00 N ATOM 0 H LYS B 53 10.579 -17.180 1.506 1.00 0.00 H new ATOM 0 HA LYS B 53 9.947 -17.613 4.268 1.00 0.00 H new ATOM 0 HB2 LYS B 53 10.028 -19.592 1.952 1.00 0.00 H new ATOM 0 HB3 LYS B 53 9.159 -19.786 3.462 1.00 0.00 H new ATOM 0 HG2 LYS B 53 7.682 -17.888 2.867 1.00 0.00 H new ATOM 0 HG3 LYS B 53 8.561 -17.663 1.368 1.00 0.00 H new ATOM 0 HD2 LYS B 53 7.978 -20.057 0.754 1.00 0.00 H new ATOM 0 HD3 LYS B 53 6.966 -20.124 2.183 1.00 0.00 H new ATOM 0 HE2 LYS B 53 6.640 -18.157 -0.117 1.00 0.00 H new ATOM 0 HE3 LYS B 53 5.669 -19.594 0.133 1.00 0.00 H new ATOM 0 HZ1 LYS B 53 4.541 -17.642 0.945 1.00 0.00 H new ATOM 0 HZ2 LYS B 53 4.910 -18.669 2.246 1.00 0.00 H new ATOM 0 HZ3 LYS B 53 5.834 -17.269 1.980 1.00 0.00 H new ATOM 1820 N GLN B 54 12.748 -18.705 3.081 1.00 0.00 N ATOM 1821 CA GLN B 54 13.999 -19.412 3.361 1.00 0.00 C ATOM 1822 C GLN B 54 13.779 -20.924 3.346 1.00 0.00 C ATOM 1823 O GLN B 54 12.724 -21.411 2.934 1.00 0.00 O ATOM 1824 CB GLN B 54 14.576 -18.997 4.721 1.00 0.00 C ATOM 1825 CG GLN B 54 14.937 -17.525 4.835 1.00 0.00 C ATOM 1826 CD GLN B 54 15.546 -17.194 6.186 1.00 0.00 C ATOM 1827 OE1 GLN B 54 15.235 -17.833 7.193 1.00 0.00 O ATOM 1828 NE2 GLN B 54 16.421 -16.203 6.219 1.00 0.00 N ATOM 0 H GLN B 54 12.773 -18.138 2.233 1.00 0.00 H new ATOM 0 HA GLN B 54 14.709 -19.143 2.579 1.00 0.00 H new ATOM 0 HB2 GLN B 54 13.851 -19.241 5.498 1.00 0.00 H new ATOM 0 HB3 GLN B 54 15.467 -19.592 4.919 1.00 0.00 H new ATOM 0 HG2 GLN B 54 15.641 -17.262 4.045 1.00 0.00 H new ATOM 0 HG3 GLN B 54 14.044 -16.919 4.681 1.00 0.00 H new ATOM 0 HE21 GLN B 54 16.652 -15.698 5.363 1.00 0.00 H new ATOM 0 HE22 GLN B 54 16.865 -15.944 7.100 1.00 0.00 H new ATOM 1837 N LYS B 55 14.800 -21.657 3.763 1.00 0.00 N ATOM 1838 CA LYS B 55 14.683 -23.089 3.992 1.00 0.00 C ATOM 1839 C LYS B 55 15.167 -23.399 5.399 1.00 0.00 C ATOM 1840 O LYS B 55 15.732 -24.466 5.652 1.00 0.00 O ATOM 1841 CB LYS B 55 15.497 -23.892 2.975 1.00 0.00 C ATOM 1842 CG LYS B 55 15.005 -23.764 1.546 1.00 0.00 C ATOM 1843 CD LYS B 55 15.722 -24.746 0.631 1.00 0.00 C ATOM 1844 CE LYS B 55 15.430 -26.187 1.021 1.00 0.00 C ATOM 1845 NZ LYS B 55 13.992 -26.532 0.846 1.00 0.00 N ATOM 0 H LYS B 55 15.728 -21.279 3.951 1.00 0.00 H new ATOM 0 HA LYS B 55 13.638 -23.376 3.876 1.00 0.00 H new ATOM 0 HB2 LYS B 55 16.536 -23.567 3.020 1.00 0.00 H new ATOM 0 HB3 LYS B 55 15.479 -24.944 3.261 1.00 0.00 H new ATOM 0 HG2 LYS B 55 13.931 -23.946 1.510 1.00 0.00 H new ATOM 0 HG3 LYS B 55 15.168 -22.746 1.192 1.00 0.00 H new ATOM 0 HD2 LYS B 55 15.412 -24.577 -0.400 1.00 0.00 H new ATOM 0 HD3 LYS B 55 16.796 -24.567 0.674 1.00 0.00 H new ATOM 0 HE2 LYS B 55 16.040 -26.857 0.415 1.00 0.00 H new ATOM 0 HE3 LYS B 55 15.717 -26.347 2.060 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 13.870 -27.562 0.925 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 13.430 -26.060 1.582 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 13.671 -26.216 -0.091 1.00 0.00 H new ATOM 1859 N LYS B 56 14.946 -22.424 6.288 1.00 0.00 N ATOM 1860 CA LYS B 56 15.404 -22.460 7.681 1.00 0.00 C ATOM 1861 C LYS B 56 16.862 -22.913 7.780 1.00 0.00 C ATOM 1862 O LYS B 56 17.745 -22.137 7.354 1.00 0.00 O ATOM 1863 CB LYS B 56 14.478 -23.300 8.588 1.00 0.00 C ATOM 1864 CG LYS B 56 14.326 -24.763 8.199 1.00 0.00 C ATOM 1865 CD LYS B 56 13.879 -25.607 9.381 1.00 0.00 C ATOM 1866 CE LYS B 56 14.834 -25.457 10.557 1.00 0.00 C ATOM 1867 NZ LYS B 56 16.243 -25.711 10.160 1.00 0.00 N ATOM 1868 OXT LYS B 56 17.127 -24.025 8.285 1.00 0.00 O ATOM 0 H LYS B 56 14.435 -21.573 6.055 1.00 0.00 H new ATOM 0 HA LYS B 56 15.352 -21.437 8.054 1.00 0.00 H new ATOM 0 HB2 LYS B 56 14.858 -23.252 9.609 1.00 0.00 H new ATOM 0 HB3 LYS B 56 13.490 -22.840 8.594 1.00 0.00 H new ATOM 0 HG2 LYS B 56 13.600 -24.853 7.391 1.00 0.00 H new ATOM 0 HG3 LYS B 56 15.275 -25.140 7.819 1.00 0.00 H new ATOM 0 HD2 LYS B 56 12.875 -25.310 9.684 1.00 0.00 H new ATOM 0 HD3 LYS B 56 13.826 -26.654 9.084 1.00 0.00 H new ATOM 0 HE2 LYS B 56 14.748 -24.451 10.969 1.00 0.00 H new ATOM 0 HE3 LYS B 56 14.549 -26.151 11.348 1.00 0.00 H new ATOM 0 HZ1 LYS B 56 16.796 -25.984 10.997 1.00 0.00 H new ATOM 0 HZ2 LYS B 56 16.273 -26.479 9.459 1.00 0.00 H new ATOM 0 HZ3 LYS B 56 16.648 -24.848 9.745 1.00 0.00 H new TER 1882 LYS B 56