USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 848 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 49 THR OG1 : rot 12:sc= -3.02! USER MOD Set 1.2: B 51 THR OG1 : rot 74:sc= -1.45! USER MOD Set 2.1: B 28 LYS NZ :NH3+ -121:sc= -1.6 (180deg=-0.392) USER MOD Set 2.2: B 32 GLN : amide:sc= -2.5 K(o=-4.1,f=-0.07) USER MOD Set 3.1: B 8 ASN : amide:sc= -12.3! C(o=-11!,f=-16!) USER MOD Set 3.2: B 55 THR OG1 : rot -97:sc= 0.958 USER MOD Set 4.1: B 1 MET CE :methyl 179:sc= -1.43 (180deg=-1.41) USER MOD Set 4.2: B 1 MET N :NH3+ 166:sc= 1.06 (180deg=0.733) USER MOD Set 4.3: B 3 TYR OH : rot -4:sc= 0.0983 USER MOD Set 5.1: A 8 ASN : amide:sc= -13.4! C(o=-13!,f=-15!) USER MOD Set 5.2: A 55 THR OG1 : rot -71:sc= 0.853 USER MOD Set 6.1: A 49 THR OG1 : rot 27:sc= -3.21! USER MOD Set 6.2: A 51 THR OG1 : rot 70:sc= -1.51! USER MOD Set 7.1: A 28 LYS NZ :NH3+ -115:sc= -0.383 (180deg=-0.354) USER MOD Set 7.2: A 32 GLN : amide:sc= -1.16! K(o=-1.5!,f=-0.0029) USER MOD Set 8.1: A 1 MET CE :methyl 179:sc= -1.35 (180deg=-1.36) USER MOD Set 8.2: A 1 MET N :NH3+ 172:sc= 0.994 (180deg=0.732) USER MOD Set 8.3: A 3 TYR OH : rot -5:sc= 0.147 USER MOD Single : A 2 GLN : amide:sc= -24.4! C(o=-24!,f=-20!) USER MOD Single : A 4 LYS NZ :NH3+ 176:sc=-0.000201 (180deg=-0.0169) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -148:sc= 0.974 (180deg=-1.69!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -129:sc= -3! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.201 X(o=-0.2,f=-0.7) USER MOD Single : A 37 ASN : amide:sc= -9.56! C(o=-9.6!,f=-12!) USER MOD Single : A 44 THR OG1 : rot -160:sc= -0.63 USER MOD Single : A 45 TYR OH : rot 29:sc= -0.664 USER MOD Single : A 50 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.219) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0612 USER MOD Single : B 2 GLN : amide:sc= -24.3! C(o=-24!,f=-20!) USER MOD Single : B 4 LYS NZ :NH3+ 174:sc=-0.00363 (180deg=-0.0204) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 LYS NZ :NH3+ -140:sc= 0.97 (180deg=-1.69) USER MOD Single : B 16 THR OG1 : rot 180:sc= -1.16 USER MOD Single : B 17 THR OG1 : rot 180:sc= -0.238 USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 THR OG1 : rot -120:sc= -3.01! USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= -4.19! C(o=-4.2!,f=-7.8!) USER MOD Single : B 37 ASN : amide:sc= -3.49! C(o=-3.5!,f=-5.4!) USER MOD Single : B 44 THR OG1 : rot -160:sc= -0.687 USER MOD Single : B 45 TYR OH : rot 37:sc= -0.521 USER MOD Single : B 50 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.199) USER MOD Single : B 53 THR OG1 : rot 180:sc= -0.0648 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.341 6.031 -18.344 1.00 0.00 N ATOM 2 CA MET A 1 -5.491 6.540 -17.539 1.00 0.00 C ATOM 3 C MET A 1 -5.290 6.182 -16.076 1.00 0.00 C ATOM 4 O MET A 1 -4.179 5.872 -15.646 1.00 0.00 O ATOM 5 CB MET A 1 -6.808 5.930 -18.070 1.00 0.00 C ATOM 6 CG MET A 1 -7.083 4.518 -17.487 1.00 0.00 C ATOM 7 SD MET A 1 -5.535 3.589 -17.251 1.00 0.00 S ATOM 8 CE MET A 1 -5.489 2.795 -18.870 1.00 0.00 C ATOM 0 H1 MET A 1 -4.543 6.156 -19.356 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.481 6.561 -18.095 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.196 5.021 -18.142 1.00 0.00 H new ATOM 0 HA MET A 1 -5.547 7.625 -17.628 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.638 6.591 -17.821 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.765 5.869 -19.157 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.603 4.611 -16.534 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.742 3.967 -18.158 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.593 2.179 -18.948 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.372 2.168 -18.993 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.474 3.557 -19.649 1.00 0.00 H new ATOM 20 N GLN A 2 -6.376 6.186 -15.322 1.00 0.00 N ATOM 21 CA GLN A 2 -6.304 5.823 -13.924 1.00 0.00 C ATOM 22 C GLN A 2 -6.030 4.325 -13.869 1.00 0.00 C ATOM 23 O GLN A 2 -6.676 3.560 -14.578 1.00 0.00 O ATOM 24 CB GLN A 2 -7.638 6.161 -13.211 1.00 0.00 C ATOM 25 CG GLN A 2 -7.443 6.216 -11.681 1.00 0.00 C ATOM 26 CD GLN A 2 -6.602 5.050 -11.210 1.00 0.00 C ATOM 27 OE1 GLN A 2 -7.070 3.922 -11.130 1.00 0.00 O ATOM 28 NE2 GLN A 2 -5.338 5.271 -10.930 1.00 0.00 N ATOM 0 H GLN A 2 -7.308 6.435 -15.654 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.515 6.378 -13.416 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -8.014 7.119 -13.569 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -8.389 5.411 -13.460 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -6.962 7.154 -11.404 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -8.413 6.196 -11.184 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -4.958 6.215 -11.000 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -4.737 4.499 -10.643 1.00 0.00 H new ATOM 37 N TYR A 3 -5.096 3.897 -13.014 1.00 0.00 N ATOM 38 CA TYR A 3 -4.787 2.472 -12.869 1.00 0.00 C ATOM 39 C TYR A 3 -5.090 2.052 -11.443 1.00 0.00 C ATOM 40 O TYR A 3 -5.111 2.901 -10.556 1.00 0.00 O ATOM 41 CB TYR A 3 -3.327 2.219 -13.180 1.00 0.00 C ATOM 42 CG TYR A 3 -3.069 2.532 -14.629 1.00 0.00 C ATOM 43 CD1 TYR A 3 -3.198 1.521 -15.599 1.00 0.00 C ATOM 44 CD2 TYR A 3 -2.653 3.821 -15.015 1.00 0.00 C ATOM 45 CE1 TYR A 3 -2.958 1.814 -16.956 1.00 0.00 C ATOM 46 CE2 TYR A 3 -2.396 4.104 -16.368 1.00 0.00 C ATOM 47 CZ TYR A 3 -2.573 3.109 -17.339 1.00 0.00 C ATOM 48 OH TYR A 3 -2.320 3.383 -18.665 1.00 0.00 O ATOM 0 H TYR A 3 -4.545 4.512 -12.416 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.394 1.893 -13.565 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.695 2.838 -12.544 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -3.072 1.180 -12.969 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.481 0.521 -15.304 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -2.531 4.594 -14.270 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -3.070 1.042 -17.703 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -2.062 5.089 -16.659 1.00 0.00 H new ATOM 0 HH TYR A 3 -2.371 2.554 -19.186 1.00 0.00 H new ATOM 58 N LYS A 4 -5.321 0.760 -11.173 1.00 0.00 N ATOM 59 CA LYS A 4 -5.621 0.327 -9.812 1.00 0.00 C ATOM 60 C LYS A 4 -4.824 -0.923 -9.501 1.00 0.00 C ATOM 61 O LYS A 4 -4.607 -1.741 -10.378 1.00 0.00 O ATOM 62 CB LYS A 4 -7.122 0.047 -9.704 1.00 0.00 C ATOM 63 CG LYS A 4 -7.459 -0.524 -8.331 1.00 0.00 C ATOM 64 CD LYS A 4 -8.979 -0.557 -8.184 1.00 0.00 C ATOM 65 CE LYS A 4 -9.357 -1.061 -6.798 1.00 0.00 C ATOM 66 NZ LYS A 4 -9.184 0.037 -5.801 1.00 0.00 N ATOM 0 H LYS A 4 -5.305 0.013 -11.868 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.350 1.103 -9.096 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.683 0.967 -9.870 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.424 -0.655 -10.481 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.046 -1.527 -8.225 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.015 0.088 -7.546 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.390 0.440 -8.342 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.412 -1.205 -8.946 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.390 -1.408 -6.796 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.734 -1.913 -6.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.507 -0.288 -4.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.180 0.302 -5.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.745 0.863 -6.093 1.00 0.00 H new ATOM 80 N LEU A 5 -4.359 -1.068 -8.265 1.00 0.00 N ATOM 81 CA LEU A 5 -3.553 -2.241 -7.904 1.00 0.00 C ATOM 82 C LEU A 5 -4.212 -3.096 -6.854 1.00 0.00 C ATOM 83 O LEU A 5 -4.769 -2.594 -5.887 1.00 0.00 O ATOM 84 CB LEU A 5 -2.178 -1.802 -7.409 1.00 0.00 C ATOM 85 CG LEU A 5 -1.337 -3.035 -6.968 1.00 0.00 C ATOM 86 CD1 LEU A 5 0.108 -2.891 -7.467 1.00 0.00 C ATOM 87 CD2 LEU A 5 -1.316 -3.148 -5.431 1.00 0.00 C ATOM 0 H LEU A 5 -4.519 -0.406 -7.506 1.00 0.00 H new ATOM 0 HA LEU A 5 -3.454 -2.844 -8.806 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.656 -1.262 -8.199 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.290 -1.113 -6.572 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.792 -3.928 -7.395 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.689 -3.758 -7.154 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.112 -2.825 -8.555 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.550 -1.987 -7.047 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -0.724 -4.015 -5.138 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.874 -2.247 -5.006 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.335 -3.262 -5.061 1.00 0.00 H new ATOM 99 N ILE A 6 -4.119 -4.414 -7.065 1.00 0.00 N ATOM 100 CA ILE A 6 -4.686 -5.402 -6.150 1.00 0.00 C ATOM 101 C ILE A 6 -3.564 -6.046 -5.374 1.00 0.00 C ATOM 102 O ILE A 6 -2.522 -6.380 -5.943 1.00 0.00 O ATOM 103 CB ILE A 6 -5.421 -6.482 -6.923 1.00 0.00 C ATOM 104 CG1 ILE A 6 -6.408 -5.795 -7.860 1.00 0.00 C ATOM 105 CG2 ILE A 6 -6.136 -7.410 -5.935 1.00 0.00 C ATOM 106 CD1 ILE A 6 -7.301 -6.825 -8.542 1.00 0.00 C ATOM 0 H ILE A 6 -3.649 -4.821 -7.874 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.385 -4.903 -5.479 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.734 -7.090 -7.512 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.020 -5.089 -7.299 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.866 -5.220 -8.611 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.666 -8.188 -6.485 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.403 -7.869 -5.272 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.848 -6.834 -5.345 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.999 -6.317 -9.207 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.686 -7.514 -9.120 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.857 -7.381 -7.787 1.00 0.00 H new ATOM 118 N LEU A 7 -3.756 -6.201 -4.070 1.00 0.00 N ATOM 119 CA LEU A 7 -2.738 -6.785 -3.213 1.00 0.00 C ATOM 120 C LEU A 7 -3.216 -8.122 -2.639 1.00 0.00 C ATOM 121 O LEU A 7 -4.240 -8.194 -1.960 1.00 0.00 O ATOM 122 CB LEU A 7 -2.383 -5.782 -2.106 1.00 0.00 C ATOM 123 CG LEU A 7 -0.974 -6.077 -1.516 1.00 0.00 C ATOM 124 CD1 LEU A 7 -0.326 -4.766 -1.078 1.00 0.00 C ATOM 125 CD2 LEU A 7 -1.073 -7.002 -0.308 1.00 0.00 C ATOM 0 H LEU A 7 -4.610 -5.929 -3.584 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.840 -6.994 -3.794 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.408 -4.769 -2.507 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.130 -5.830 -1.314 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.374 -6.563 -2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.662 -4.969 -0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.230 -4.103 -1.938 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.947 -4.289 -0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.075 -7.193 0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.683 -6.531 0.462 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -1.531 -7.944 -0.608 1.00 0.00 H new ATOM 137 N ASN A 8 -2.384 -9.143 -2.850 1.00 0.00 N ATOM 138 CA ASN A 8 -2.637 -10.465 -2.274 1.00 0.00 C ATOM 139 C ASN A 8 -1.412 -10.873 -1.448 1.00 0.00 C ATOM 140 O ASN A 8 -0.357 -11.175 -2.003 1.00 0.00 O ATOM 141 CB ASN A 8 -2.999 -11.560 -3.341 1.00 0.00 C ATOM 142 CG ASN A 8 -2.826 -11.115 -4.798 1.00 0.00 C ATOM 143 OD1 ASN A 8 -2.502 -11.954 -5.632 1.00 0.00 O ATOM 144 ND2 ASN A 8 -2.901 -9.839 -5.100 1.00 0.00 N ATOM 0 H ASN A 8 -1.535 -9.081 -3.411 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.520 -10.393 -1.639 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.377 -12.438 -3.167 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -4.034 -11.868 -3.190 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.687 -9.526 -6.047 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.173 -9.161 -4.388 1.00 0.00 H new ATOM 151 N GLY A 9 -1.559 -10.876 -0.117 1.00 0.00 N ATOM 152 CA GLY A 9 -0.449 -11.244 0.759 1.00 0.00 C ATOM 153 C GLY A 9 -0.935 -11.730 2.118 1.00 0.00 C ATOM 154 O GLY A 9 -2.056 -11.434 2.540 1.00 0.00 O ATOM 0 H GLY A 9 -2.423 -10.631 0.367 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.144 -12.026 0.285 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.207 -10.384 0.894 1.00 0.00 H new ATOM 158 N LYS A 10 -0.071 -12.478 2.798 1.00 0.00 N ATOM 159 CA LYS A 10 -0.376 -13.016 4.114 1.00 0.00 C ATOM 160 C LYS A 10 -0.210 -11.924 5.162 1.00 0.00 C ATOM 161 O LYS A 10 -1.059 -11.731 6.028 1.00 0.00 O ATOM 162 CB LYS A 10 0.570 -14.192 4.415 1.00 0.00 C ATOM 163 CG LYS A 10 0.757 -15.063 3.155 1.00 0.00 C ATOM 164 CD LYS A 10 -0.585 -15.654 2.718 1.00 0.00 C ATOM 165 CE LYS A 10 -0.379 -16.537 1.488 1.00 0.00 C ATOM 166 NZ LYS A 10 -1.690 -17.117 1.083 1.00 0.00 N ATOM 0 H LYS A 10 0.856 -12.726 2.452 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.406 -13.372 4.137 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.536 -13.814 4.751 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.164 -14.796 5.226 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.178 -14.463 2.348 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.466 -15.865 3.360 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.018 -16.239 3.530 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.289 -14.854 2.490 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.043 -15.952 0.671 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.332 -17.333 1.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.559 -17.720 0.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.073 -17.687 1.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.354 -16.349 0.856 1.00 0.00 H new ATOM 180 N THR A 11 0.900 -11.212 5.062 1.00 0.00 N ATOM 181 CA THR A 11 1.193 -10.134 5.991 1.00 0.00 C ATOM 182 C THR A 11 0.474 -8.856 5.583 1.00 0.00 C ATOM 183 O THR A 11 0.336 -7.928 6.381 1.00 0.00 O ATOM 184 CB THR A 11 2.700 -9.868 6.016 1.00 0.00 C ATOM 185 OG1 THR A 11 3.379 -11.044 6.439 1.00 0.00 O ATOM 186 CG2 THR A 11 2.993 -8.730 6.992 1.00 0.00 C ATOM 0 H THR A 11 1.612 -11.361 4.347 1.00 0.00 H new ATOM 0 HA THR A 11 0.848 -10.435 6.980 1.00 0.00 H new ATOM 0 HB THR A 11 3.042 -9.591 5.019 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.344 -10.877 6.454 1.00 0.00 H new ATOM 0 HG21 THR A 11 4.065 -8.536 7.014 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.468 -7.830 6.670 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.655 -9.010 7.990 1.00 0.00 H new ATOM 194 N LEU A 12 0.031 -8.789 4.332 1.00 0.00 N ATOM 195 CA LEU A 12 -0.632 -7.570 3.865 1.00 0.00 C ATOM 196 C LEU A 12 -1.691 -7.828 2.795 1.00 0.00 C ATOM 197 O LEU A 12 -1.596 -8.767 2.003 1.00 0.00 O ATOM 198 CB LEU A 12 0.435 -6.614 3.313 1.00 0.00 C ATOM 199 CG LEU A 12 0.023 -5.144 3.561 1.00 0.00 C ATOM 200 CD1 LEU A 12 0.420 -4.716 4.991 1.00 0.00 C ATOM 201 CD2 LEU A 12 0.714 -4.227 2.538 1.00 0.00 C ATOM 0 H LEU A 12 0.113 -9.535 3.641 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.154 -7.135 4.717 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.394 -6.815 3.790 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.568 -6.786 2.245 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.058 -5.058 3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.126 -3.679 5.156 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.084 -5.356 5.715 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.499 -4.810 5.113 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.419 -3.193 2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.795 -4.319 2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.418 -4.518 1.530 1.00 0.00 H new ATOM 213 N LYS A 13 -2.702 -6.960 2.798 1.00 0.00 N ATOM 214 CA LYS A 13 -3.807 -7.015 1.849 1.00 0.00 C ATOM 215 C LYS A 13 -4.298 -5.587 1.598 1.00 0.00 C ATOM 216 O LYS A 13 -4.286 -4.763 2.512 1.00 0.00 O ATOM 217 CB LYS A 13 -4.938 -7.881 2.415 1.00 0.00 C ATOM 218 CG LYS A 13 -4.417 -9.305 2.602 1.00 0.00 C ATOM 219 CD LYS A 13 -5.507 -10.221 3.142 1.00 0.00 C ATOM 220 CE LYS A 13 -4.906 -11.620 3.248 1.00 0.00 C ATOM 221 NZ LYS A 13 -4.500 -12.075 1.884 1.00 0.00 N ATOM 0 H LYS A 13 -2.775 -6.193 3.466 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.477 -7.460 0.910 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.283 -7.477 3.367 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.792 -7.877 1.738 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -4.053 -9.690 1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.570 -9.299 3.288 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.853 -9.876 4.116 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.372 -10.223 2.479 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -4.044 -11.611 3.915 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.632 -12.311 3.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.608 -13.107 1.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.103 -11.616 1.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.506 -11.819 1.714 1.00 0.00 H new ATOM 235 N GLY A 14 -4.729 -5.275 0.375 1.00 0.00 N ATOM 236 CA GLY A 14 -5.208 -3.922 0.097 1.00 0.00 C ATOM 237 C GLY A 14 -5.285 -3.625 -1.397 1.00 0.00 C ATOM 238 O GLY A 14 -4.890 -4.439 -2.231 1.00 0.00 O ATOM 0 H GLY A 14 -4.757 -5.918 -0.416 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.195 -3.791 0.542 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.545 -3.200 0.574 1.00 0.00 H new ATOM 242 N GLU A 15 -5.791 -2.431 -1.714 1.00 0.00 N ATOM 243 CA GLU A 15 -5.921 -1.981 -3.101 1.00 0.00 C ATOM 244 C GLU A 15 -5.502 -0.509 -3.208 1.00 0.00 C ATOM 245 O GLU A 15 -5.988 0.330 -2.449 1.00 0.00 O ATOM 246 CB GLU A 15 -7.374 -2.108 -3.581 1.00 0.00 C ATOM 247 CG GLU A 15 -7.818 -3.577 -3.632 1.00 0.00 C ATOM 248 CD GLU A 15 -9.321 -3.626 -3.893 1.00 0.00 C ATOM 249 OE1 GLU A 15 -9.739 -3.375 -5.046 1.00 0.00 O ATOM 250 OE2 GLU A 15 -10.077 -3.775 -2.909 1.00 0.00 O ATOM 0 H GLU A 15 -6.119 -1.755 -1.024 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.279 -2.606 -3.722 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.030 -1.550 -2.913 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.473 -1.661 -4.570 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.281 -4.107 -4.418 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.581 -4.076 -2.692 1.00 0.00 H new ATOM 257 N THR A 16 -4.602 -0.194 -4.141 1.00 0.00 N ATOM 258 CA THR A 16 -4.133 1.198 -4.320 1.00 0.00 C ATOM 259 C THR A 16 -4.595 1.735 -5.681 1.00 0.00 C ATOM 260 O THR A 16 -5.082 0.967 -6.516 1.00 0.00 O ATOM 261 CB THR A 16 -2.604 1.274 -4.155 1.00 0.00 C ATOM 262 OG1 THR A 16 -1.967 0.626 -5.234 1.00 0.00 O ATOM 263 CG2 THR A 16 -2.188 0.597 -2.837 1.00 0.00 C ATOM 0 H THR A 16 -4.182 -0.868 -4.781 1.00 0.00 H new ATOM 0 HA THR A 16 -4.572 1.831 -3.549 1.00 0.00 H new ATOM 0 HB THR A 16 -2.304 2.322 -4.138 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.995 0.681 -5.121 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.105 0.653 -2.725 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.666 1.105 -2.000 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.497 -0.448 -2.851 1.00 0.00 H new ATOM 271 N THR A 17 -4.482 3.054 -5.916 1.00 0.00 N ATOM 272 CA THR A 17 -4.939 3.635 -7.179 1.00 0.00 C ATOM 273 C THR A 17 -4.034 4.800 -7.575 1.00 0.00 C ATOM 274 O THR A 17 -3.708 5.648 -6.744 1.00 0.00 O ATOM 275 CB THR A 17 -6.403 4.111 -6.998 1.00 0.00 C ATOM 276 OG1 THR A 17 -7.003 3.337 -5.969 1.00 0.00 O ATOM 277 CG2 THR A 17 -7.247 3.934 -8.276 1.00 0.00 C ATOM 0 H THR A 17 -4.085 3.723 -5.257 1.00 0.00 H new ATOM 0 HA THR A 17 -4.895 2.892 -7.975 1.00 0.00 H new ATOM 0 HB THR A 17 -6.375 5.173 -6.755 1.00 0.00 H new ATOM 0 HG1 THR A 17 -7.930 3.627 -5.840 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.263 4.283 -8.092 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.805 4.513 -9.087 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.270 2.880 -8.554 1.00 0.00 H new ATOM 285 N THR A 18 -3.621 4.845 -8.837 1.00 0.00 N ATOM 286 CA THR A 18 -2.749 5.925 -9.291 1.00 0.00 C ATOM 287 C THR A 18 -2.866 6.120 -10.794 1.00 0.00 C ATOM 288 O THR A 18 -2.846 5.154 -11.560 1.00 0.00 O ATOM 289 CB THR A 18 -1.288 5.600 -8.917 1.00 0.00 C ATOM 290 OG1 THR A 18 -0.536 6.803 -8.872 1.00 0.00 O ATOM 291 CG2 THR A 18 -0.657 4.653 -9.951 1.00 0.00 C ATOM 0 H THR A 18 -3.869 4.161 -9.552 1.00 0.00 H new ATOM 0 HA THR A 18 -3.056 6.849 -8.801 1.00 0.00 H new ATOM 0 HB THR A 18 -1.280 5.112 -7.942 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.392 6.600 -8.633 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.373 4.438 -9.667 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.225 3.723 -9.987 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.671 5.125 -10.933 1.00 0.00 H new ATOM 299 N GLU A 19 -2.938 7.375 -11.224 1.00 0.00 N ATOM 300 CA GLU A 19 -2.993 7.680 -12.633 1.00 0.00 C ATOM 301 C GLU A 19 -1.591 8.083 -13.019 1.00 0.00 C ATOM 302 O GLU A 19 -1.021 8.992 -12.425 1.00 0.00 O ATOM 303 CB GLU A 19 -3.979 8.830 -12.879 1.00 0.00 C ATOM 304 CG GLU A 19 -4.170 9.021 -14.370 1.00 0.00 C ATOM 305 CD GLU A 19 -5.208 10.096 -14.660 1.00 0.00 C ATOM 306 OE1 GLU A 19 -5.387 11.025 -13.842 1.00 0.00 O ATOM 307 OE2 GLU A 19 -5.957 9.874 -15.639 1.00 0.00 O ATOM 0 H GLU A 19 -2.959 8.190 -10.611 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.336 6.831 -13.224 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.935 8.611 -12.404 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.602 9.749 -12.429 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.220 9.296 -14.828 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.482 8.080 -14.823 1.00 0.00 H new ATOM 314 N ALA A 20 -1.023 7.405 -13.997 1.00 0.00 N ATOM 315 CA ALA A 20 0.336 7.692 -14.435 1.00 0.00 C ATOM 316 C ALA A 20 0.285 8.217 -15.836 1.00 0.00 C ATOM 317 O ALA A 20 -0.796 8.329 -16.416 1.00 0.00 O ATOM 318 CB ALA A 20 1.183 6.429 -14.368 1.00 0.00 C ATOM 0 H ALA A 20 -1.480 6.649 -14.507 1.00 0.00 H new ATOM 0 HA ALA A 20 0.789 8.438 -13.783 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.198 6.653 -14.697 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.207 6.061 -13.342 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.751 5.667 -15.016 1.00 0.00 H new ATOM 324 N VAL A 21 1.429 8.515 -16.412 1.00 0.00 N ATOM 325 CA VAL A 21 1.394 8.984 -17.763 1.00 0.00 C ATOM 326 C VAL A 21 0.816 7.885 -18.642 1.00 0.00 C ATOM 327 O VAL A 21 -0.048 8.177 -19.470 1.00 0.00 O ATOM 328 CB VAL A 21 2.765 9.462 -18.252 1.00 0.00 C ATOM 329 CG1 VAL A 21 3.828 8.398 -17.999 1.00 0.00 C ATOM 330 CG2 VAL A 21 2.673 9.785 -19.749 1.00 0.00 C ATOM 0 H VAL A 21 2.352 8.443 -15.983 1.00 0.00 H new ATOM 0 HA VAL A 21 0.752 9.863 -17.820 1.00 0.00 H new ATOM 0 HB VAL A 21 3.054 10.358 -17.702 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.794 8.757 -18.354 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.888 8.190 -16.931 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.563 7.485 -18.532 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.644 10.126 -20.108 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.378 8.890 -20.297 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.932 10.568 -19.907 1.00 0.00 H new ATOM 340 N ASP A 22 1.258 6.616 -18.503 1.00 0.00 N ATOM 341 CA ASP A 22 0.722 5.558 -19.338 1.00 0.00 C ATOM 342 C ASP A 22 1.236 4.166 -18.845 1.00 0.00 C ATOM 343 O ASP A 22 1.761 4.013 -17.740 1.00 0.00 O ATOM 344 CB ASP A 22 1.168 5.807 -20.795 1.00 0.00 C ATOM 345 CG ASP A 22 0.514 4.820 -21.755 1.00 0.00 C ATOM 346 OD1 ASP A 22 -0.723 4.897 -21.961 1.00 0.00 O ATOM 347 OD2 ASP A 22 1.233 3.949 -22.293 1.00 0.00 O ATOM 0 H ASP A 22 1.968 6.320 -17.833 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.366 5.558 -19.280 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.910 6.825 -21.087 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.252 5.720 -20.865 1.00 0.00 H new ATOM 352 N ALA A 23 1.007 3.192 -19.704 1.00 0.00 N ATOM 353 CA ALA A 23 1.368 1.787 -19.436 1.00 0.00 C ATOM 354 C ALA A 23 2.817 1.679 -18.921 1.00 0.00 C ATOM 355 O ALA A 23 3.118 0.884 -18.043 1.00 0.00 O ATOM 356 CB ALA A 23 1.201 0.935 -20.696 1.00 0.00 C ATOM 0 H ALA A 23 0.566 3.338 -20.612 1.00 0.00 H new ATOM 0 HA ALA A 23 0.695 1.413 -18.665 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.473 -0.097 -20.476 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.163 0.974 -21.027 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.848 1.320 -21.484 1.00 0.00 H new ATOM 362 N ALA A 24 3.729 2.403 -19.503 1.00 0.00 N ATOM 363 CA ALA A 24 5.115 2.307 -19.091 1.00 0.00 C ATOM 364 C ALA A 24 5.318 2.809 -17.655 1.00 0.00 C ATOM 365 O ALA A 24 6.163 2.285 -16.938 1.00 0.00 O ATOM 366 CB ALA A 24 6.000 3.114 -20.039 1.00 0.00 C ATOM 0 H ALA A 24 3.549 3.064 -20.259 1.00 0.00 H new ATOM 0 HA ALA A 24 5.395 1.254 -19.126 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.040 3.036 -19.721 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.900 2.723 -21.052 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.693 4.160 -20.022 1.00 0.00 H new ATOM 372 N THR A 25 4.588 3.861 -17.258 1.00 0.00 N ATOM 373 CA THR A 25 4.766 4.456 -15.919 1.00 0.00 C ATOM 374 C THR A 25 3.894 3.845 -14.799 1.00 0.00 C ATOM 375 O THR A 25 4.431 3.386 -13.795 1.00 0.00 O ATOM 376 CB THR A 25 4.545 5.963 -16.017 1.00 0.00 C ATOM 377 OG1 THR A 25 5.273 6.435 -17.139 1.00 0.00 O ATOM 378 CG2 THR A 25 5.060 6.657 -14.750 1.00 0.00 C ATOM 0 H THR A 25 3.878 4.314 -17.833 1.00 0.00 H new ATOM 0 HA THR A 25 5.787 4.224 -15.616 1.00 0.00 H new ATOM 0 HB THR A 25 3.482 6.179 -16.123 1.00 0.00 H new ATOM 0 HG1 THR A 25 5.828 7.197 -16.872 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.897 7.732 -14.832 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.524 6.274 -13.882 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.126 6.460 -14.635 1.00 0.00 H new ATOM 386 N ALA A 26 2.566 3.867 -14.927 1.00 0.00 N ATOM 387 CA ALA A 26 1.704 3.332 -13.851 1.00 0.00 C ATOM 388 C ALA A 26 2.144 1.938 -13.465 1.00 0.00 C ATOM 389 O ALA A 26 1.950 1.491 -12.346 1.00 0.00 O ATOM 390 CB ALA A 26 0.232 3.309 -14.324 1.00 0.00 C ATOM 0 H ALA A 26 2.067 4.236 -15.737 1.00 0.00 H new ATOM 0 HA ALA A 26 1.792 3.978 -12.977 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.400 2.914 -13.528 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.087 4.322 -14.571 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.143 2.675 -15.206 1.00 0.00 H new ATOM 396 N GLU A 27 2.777 1.314 -14.404 1.00 0.00 N ATOM 397 CA GLU A 27 3.312 -0.010 -14.205 1.00 0.00 C ATOM 398 C GLU A 27 4.624 0.118 -13.456 1.00 0.00 C ATOM 399 O GLU A 27 4.906 -0.613 -12.486 1.00 0.00 O ATOM 400 CB GLU A 27 3.517 -0.675 -15.562 1.00 0.00 C ATOM 401 CG GLU A 27 2.163 -0.886 -16.279 1.00 0.00 C ATOM 402 CD GLU A 27 1.284 0.397 -16.278 1.00 0.00 C ATOM 403 OE1 GLU A 27 1.839 1.476 -16.577 1.00 0.00 O ATOM 404 OE2 GLU A 27 0.055 0.295 -16.056 1.00 0.00 O ATOM 0 H GLU A 27 2.942 1.700 -15.333 1.00 0.00 H new ATOM 0 HA GLU A 27 2.627 -0.627 -13.624 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.169 -0.058 -16.180 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.018 -1.634 -15.430 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.345 -1.198 -17.308 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.620 -1.696 -15.792 1.00 0.00 H new ATOM 411 N LYS A 28 5.407 1.095 -13.887 1.00 0.00 N ATOM 412 CA LYS A 28 6.699 1.361 -13.258 1.00 0.00 C ATOM 413 C LYS A 28 6.554 1.670 -11.769 1.00 0.00 C ATOM 414 O LYS A 28 7.314 1.144 -10.956 1.00 0.00 O ATOM 415 CB LYS A 28 7.358 2.555 -13.946 1.00 0.00 C ATOM 416 CG LYS A 28 8.774 2.768 -13.419 1.00 0.00 C ATOM 417 CD LYS A 28 9.404 3.927 -14.194 1.00 0.00 C ATOM 418 CE LYS A 28 10.840 4.142 -13.721 1.00 0.00 C ATOM 419 NZ LYS A 28 10.837 4.579 -12.297 1.00 0.00 N ATOM 0 H LYS A 28 5.176 1.715 -14.664 1.00 0.00 H new ATOM 0 HA LYS A 28 7.311 0.465 -13.363 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.387 2.390 -15.023 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.763 3.452 -13.777 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.753 2.991 -12.352 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.366 1.861 -13.543 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.391 3.712 -15.263 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.822 4.836 -14.045 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.411 3.219 -13.828 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.329 4.893 -14.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.209 5.548 -12.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.865 4.555 -11.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.435 3.939 -11.736 1.00 0.00 H new ATOM 433 N VAL A 29 5.614 2.542 -11.408 1.00 0.00 N ATOM 434 CA VAL A 29 5.457 2.904 -10.002 1.00 0.00 C ATOM 435 C VAL A 29 5.082 1.695 -9.151 1.00 0.00 C ATOM 436 O VAL A 29 5.752 1.387 -8.167 1.00 0.00 O ATOM 437 CB VAL A 29 4.396 3.994 -9.854 1.00 0.00 C ATOM 438 CG1 VAL A 29 4.471 4.577 -8.441 1.00 0.00 C ATOM 439 CG2 VAL A 29 4.661 5.101 -10.885 1.00 0.00 C ATOM 0 H VAL A 29 4.966 3.000 -12.050 1.00 0.00 H new ATOM 0 HA VAL A 29 6.416 3.281 -9.647 1.00 0.00 H new ATOM 0 HB VAL A 29 3.405 3.573 -10.022 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.717 5.356 -8.328 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.290 3.788 -7.712 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.460 5.004 -8.275 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.906 5.881 -10.783 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.649 5.528 -10.715 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.615 4.681 -11.890 1.00 0.00 H new ATOM 449 N PHE A 30 3.971 1.059 -9.485 1.00 0.00 N ATOM 450 CA PHE A 30 3.512 -0.054 -8.673 1.00 0.00 C ATOM 451 C PHE A 30 4.663 -1.048 -8.466 1.00 0.00 C ATOM 452 O PHE A 30 4.796 -1.648 -7.389 1.00 0.00 O ATOM 453 CB PHE A 30 2.338 -0.776 -9.342 1.00 0.00 C ATOM 454 CG PHE A 30 1.042 0.028 -9.307 1.00 0.00 C ATOM 455 CD1 PHE A 30 0.501 0.521 -8.103 1.00 0.00 C ATOM 456 CD2 PHE A 30 0.349 0.243 -10.517 1.00 0.00 C ATOM 457 CE1 PHE A 30 -0.719 1.220 -8.104 1.00 0.00 C ATOM 458 CE2 PHE A 30 -0.868 0.947 -10.517 1.00 0.00 C ATOM 459 CZ PHE A 30 -1.394 1.440 -9.315 1.00 0.00 C ATOM 0 H PHE A 30 3.385 1.286 -10.289 1.00 0.00 H new ATOM 0 HA PHE A 30 3.178 0.339 -7.713 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.596 -0.993 -10.379 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.178 -1.733 -8.846 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.027 0.361 -7.173 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.754 -0.134 -11.445 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.135 1.586 -7.177 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.398 1.108 -11.444 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.323 1.991 -9.321 1.00 0.00 H new ATOM 469 N LYS A 31 5.533 -1.166 -9.473 1.00 0.00 N ATOM 470 CA LYS A 31 6.699 -2.040 -9.327 1.00 0.00 C ATOM 471 C LYS A 31 7.670 -1.487 -8.310 1.00 0.00 C ATOM 472 O LYS A 31 8.210 -2.227 -7.506 1.00 0.00 O ATOM 473 CB LYS A 31 7.412 -2.277 -10.660 1.00 0.00 C ATOM 474 CG LYS A 31 6.594 -3.259 -11.491 1.00 0.00 C ATOM 475 CD LYS A 31 7.357 -3.622 -12.753 1.00 0.00 C ATOM 476 CE LYS A 31 6.586 -4.715 -13.484 1.00 0.00 C ATOM 477 NZ LYS A 31 7.328 -5.101 -14.712 1.00 0.00 N ATOM 0 H LYS A 31 5.458 -0.685 -10.369 1.00 0.00 H new ATOM 0 HA LYS A 31 6.327 -3.001 -8.973 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.530 -1.336 -11.197 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.413 -2.672 -10.487 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.386 -4.157 -10.909 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.632 -2.817 -11.751 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.471 -2.746 -13.392 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.360 -3.968 -12.503 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.457 -5.581 -12.835 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.589 -4.361 -13.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.805 -5.847 -15.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.429 -4.272 -15.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.271 -5.455 -14.451 1.00 0.00 H new ATOM 491 N GLN A 32 7.893 -0.190 -8.349 1.00 0.00 N ATOM 492 CA GLN A 32 8.834 0.425 -7.417 1.00 0.00 C ATOM 493 C GLN A 32 8.521 -0.047 -5.990 1.00 0.00 C ATOM 494 O GLN A 32 9.423 -0.411 -5.237 1.00 0.00 O ATOM 495 CB GLN A 32 8.753 1.978 -7.519 1.00 0.00 C ATOM 496 CG GLN A 32 10.152 2.656 -7.364 1.00 0.00 C ATOM 497 CD GLN A 32 10.806 2.946 -8.724 1.00 0.00 C ATOM 498 OE1 GLN A 32 12.021 2.787 -8.724 1.00 0.00 O ATOM 499 NE2 GLN A 32 10.126 2.796 -9.841 1.00 0.00 N ATOM 0 H GLN A 32 7.448 0.455 -9.001 1.00 0.00 H new ATOM 0 HA GLN A 32 9.850 0.123 -7.672 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.322 2.255 -8.481 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.081 2.356 -6.748 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.044 3.587 -6.808 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.805 2.009 -6.778 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.115 2.928 -9.844 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.611 2.548 -10.704 1.00 0.00 H new ATOM 508 N TYR A 33 7.245 0.006 -5.608 1.00 0.00 N ATOM 509 CA TYR A 33 6.866 -0.375 -4.255 1.00 0.00 C ATOM 510 C TYR A 33 6.910 -1.900 -4.032 1.00 0.00 C ATOM 511 O TYR A 33 7.592 -2.369 -3.128 1.00 0.00 O ATOM 512 CB TYR A 33 5.411 0.090 -3.983 1.00 0.00 C ATOM 513 CG TYR A 33 5.279 1.612 -3.906 1.00 0.00 C ATOM 514 CD1 TYR A 33 5.678 2.428 -4.984 1.00 0.00 C ATOM 515 CD2 TYR A 33 4.736 2.218 -2.753 1.00 0.00 C ATOM 516 CE1 TYR A 33 5.552 3.827 -4.912 1.00 0.00 C ATOM 517 CE2 TYR A 33 4.600 3.621 -2.684 1.00 0.00 C ATOM 518 CZ TYR A 33 5.006 4.423 -3.765 1.00 0.00 C ATOM 519 OH TYR A 33 4.872 5.797 -3.681 1.00 0.00 O ATOM 0 H TYR A 33 6.473 0.303 -6.205 1.00 0.00 H new ATOM 0 HA TYR A 33 7.582 0.097 -3.582 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.761 -0.287 -4.772 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.064 -0.348 -3.047 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.085 1.974 -5.875 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.423 1.606 -1.920 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.875 4.442 -5.739 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.183 4.079 -1.799 1.00 0.00 H new ATOM 0 HH TYR A 33 4.475 6.035 -2.817 1.00 0.00 H new ATOM 529 N PHE A 34 6.119 -2.649 -4.810 1.00 0.00 N ATOM 530 CA PHE A 34 6.015 -4.113 -4.577 1.00 0.00 C ATOM 531 C PHE A 34 7.086 -4.994 -5.219 1.00 0.00 C ATOM 532 O PHE A 34 6.760 -6.027 -5.806 1.00 0.00 O ATOM 533 CB PHE A 34 4.622 -4.626 -4.934 1.00 0.00 C ATOM 534 CG PHE A 34 3.607 -3.771 -4.220 1.00 0.00 C ATOM 535 CD1 PHE A 34 3.372 -4.012 -2.850 1.00 0.00 C ATOM 536 CD2 PHE A 34 2.918 -2.727 -4.868 1.00 0.00 C ATOM 537 CE1 PHE A 34 2.479 -3.200 -2.131 1.00 0.00 C ATOM 538 CE2 PHE A 34 2.024 -1.917 -4.148 1.00 0.00 C ATOM 539 CZ PHE A 34 1.808 -2.149 -2.778 1.00 0.00 C ATOM 0 H PHE A 34 5.556 -2.292 -5.582 1.00 0.00 H new ATOM 0 HA PHE A 34 6.202 -4.209 -3.507 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.465 -4.582 -6.012 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.514 -5.670 -4.639 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.881 -4.824 -2.352 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.077 -2.549 -5.921 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.308 -3.384 -1.081 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.502 -1.115 -4.648 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.127 -1.520 -2.224 1.00 0.00 H new ATOM 549 N ASN A 35 8.363 -4.618 -5.097 1.00 0.00 N ATOM 550 CA ASN A 35 9.448 -5.416 -5.666 1.00 0.00 C ATOM 551 C ASN A 35 10.360 -5.991 -4.540 1.00 0.00 C ATOM 552 O ASN A 35 11.350 -6.662 -4.841 1.00 0.00 O ATOM 553 CB ASN A 35 10.189 -4.513 -6.701 1.00 0.00 C ATOM 554 CG ASN A 35 11.627 -4.259 -6.366 1.00 0.00 C ATOM 555 OD1 ASN A 35 11.823 -3.595 -5.356 1.00 0.00 O ATOM 556 ND2 ASN A 35 12.599 -4.476 -7.223 1.00 0.00 N ATOM 0 H ASN A 35 8.667 -3.773 -4.613 1.00 0.00 H new ATOM 0 HA ASN A 35 9.077 -6.298 -6.189 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.132 -4.982 -7.683 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.669 -3.558 -6.773 1.00 0.00 H new ATOM 0 HD21 ASN A 35 13.527 -4.090 -7.050 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.425 -5.030 -8.061 1.00 0.00 H new ATOM 563 N ASP A 36 10.027 -5.749 -3.229 1.00 0.00 N ATOM 564 CA ASP A 36 10.906 -6.300 -2.146 1.00 0.00 C ATOM 565 C ASP A 36 10.377 -6.290 -0.687 1.00 0.00 C ATOM 566 O ASP A 36 10.657 -7.207 0.012 1.00 0.00 O ATOM 567 CB ASP A 36 12.164 -5.478 -2.189 1.00 0.00 C ATOM 568 CG ASP A 36 13.010 -5.474 -0.889 1.00 0.00 C ATOM 569 OD1 ASP A 36 12.543 -4.485 -0.274 1.00 0.00 O ATOM 570 OD2 ASP A 36 14.244 -5.618 -1.069 1.00 0.00 O ATOM 0 H ASP A 36 9.217 -5.216 -2.914 1.00 0.00 H new ATOM 0 HA ASP A 36 11.010 -7.363 -2.365 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.787 -5.844 -3.005 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.896 -4.449 -2.429 1.00 0.00 H new ATOM 575 N ASN A 37 9.508 -5.373 -0.363 1.00 0.00 N ATOM 576 CA ASN A 37 8.807 -5.311 0.959 1.00 0.00 C ATOM 577 C ASN A 37 8.361 -6.743 1.381 1.00 0.00 C ATOM 578 O ASN A 37 7.196 -7.033 1.596 1.00 0.00 O ATOM 579 CB ASN A 37 7.596 -4.389 0.811 1.00 0.00 C ATOM 580 CG ASN A 37 7.205 -4.414 -0.634 1.00 0.00 C ATOM 581 OD1 ASN A 37 6.886 -5.550 -0.954 1.00 0.00 O ATOM 582 ND2 ASN A 37 6.650 -3.408 -1.267 1.00 0.00 N ATOM 0 H ASN A 37 9.239 -4.620 -0.997 1.00 0.00 H new ATOM 0 HA ASN A 37 9.471 -4.922 1.731 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.773 -4.729 1.440 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.841 -3.375 1.127 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.970 -3.584 -2.007 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.899 -2.450 -1.020 1.00 0.00 H new ATOM 589 N GLY A 38 9.326 -7.614 1.483 1.00 0.00 N ATOM 590 CA GLY A 38 9.077 -9.012 1.835 1.00 0.00 C ATOM 591 C GLY A 38 7.905 -9.550 0.997 1.00 0.00 C ATOM 592 O GLY A 38 7.141 -10.407 1.452 1.00 0.00 O ATOM 0 H GLY A 38 10.309 -7.391 1.328 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.971 -9.609 1.655 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.847 -9.095 2.897 1.00 0.00 H new ATOM 596 N VAL A 39 7.773 -9.021 -0.235 1.00 0.00 N ATOM 597 CA VAL A 39 6.704 -9.433 -1.157 1.00 0.00 C ATOM 598 C VAL A 39 7.276 -10.297 -2.261 1.00 0.00 C ATOM 599 O VAL A 39 6.951 -11.479 -2.367 1.00 0.00 O ATOM 600 CB VAL A 39 6.042 -8.191 -1.800 1.00 0.00 C ATOM 601 CG1 VAL A 39 5.208 -8.565 -3.050 1.00 0.00 C ATOM 602 CG2 VAL A 39 5.107 -7.510 -0.799 1.00 0.00 C ATOM 0 H VAL A 39 8.396 -8.307 -0.612 1.00 0.00 H new ATOM 0 HA VAL A 39 5.962 -9.995 -0.589 1.00 0.00 H new ATOM 0 HB VAL A 39 6.850 -7.521 -2.094 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.760 -7.665 -3.471 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.855 -9.030 -3.793 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.421 -9.263 -2.766 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.648 -6.638 -1.265 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.329 -8.210 -0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.677 -7.196 0.076 1.00 0.00 H new ATOM 612 N ASP A 40 8.097 -9.667 -3.110 1.00 0.00 N ATOM 613 CA ASP A 40 8.693 -10.340 -4.262 1.00 0.00 C ATOM 614 C ASP A 40 7.686 -11.330 -4.846 1.00 0.00 C ATOM 615 O ASP A 40 8.042 -12.368 -5.401 1.00 0.00 O ATOM 616 CB ASP A 40 9.999 -11.050 -3.886 1.00 0.00 C ATOM 617 CG ASP A 40 9.787 -12.272 -2.995 1.00 0.00 C ATOM 618 OD1 ASP A 40 8.676 -12.856 -2.965 1.00 0.00 O ATOM 619 OD2 ASP A 40 10.784 -12.710 -2.366 1.00 0.00 O ATOM 0 H ASP A 40 8.363 -8.687 -3.017 1.00 0.00 H new ATOM 0 HA ASP A 40 8.941 -9.590 -5.013 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.512 -11.358 -4.797 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.654 -10.345 -3.374 1.00 0.00 H new ATOM 624 N GLY A 41 6.416 -10.988 -4.649 1.00 0.00 N ATOM 625 CA GLY A 41 5.293 -11.805 -5.070 1.00 0.00 C ATOM 626 C GLY A 41 5.237 -12.008 -6.576 1.00 0.00 C ATOM 627 O GLY A 41 6.082 -11.507 -7.317 1.00 0.00 O ATOM 0 H GLY A 41 6.139 -10.123 -4.186 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.354 -12.777 -4.580 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.366 -11.338 -4.737 1.00 0.00 H new ATOM 631 N GLU A 42 4.219 -12.749 -7.020 1.00 0.00 N ATOM 632 CA GLU A 42 4.043 -13.014 -8.445 1.00 0.00 C ATOM 633 C GLU A 42 3.329 -11.837 -9.093 1.00 0.00 C ATOM 634 O GLU A 42 2.214 -11.477 -8.713 1.00 0.00 O ATOM 635 CB GLU A 42 3.229 -14.295 -8.663 1.00 0.00 C ATOM 636 CG GLU A 42 3.467 -14.814 -10.086 1.00 0.00 C ATOM 637 CD GLU A 42 4.837 -15.482 -10.164 1.00 0.00 C ATOM 638 OE1 GLU A 42 5.483 -15.644 -9.105 1.00 0.00 O ATOM 639 OE2 GLU A 42 5.253 -15.860 -11.283 1.00 0.00 O ATOM 0 H GLU A 42 3.512 -13.171 -6.418 1.00 0.00 H new ATOM 0 HA GLU A 42 5.024 -13.147 -8.900 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.520 -15.052 -7.935 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.168 -14.096 -8.509 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.688 -15.526 -10.360 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.411 -13.991 -10.798 1.00 0.00 H new ATOM 646 N TRP A 43 4.004 -11.220 -10.046 1.00 0.00 N ATOM 647 CA TRP A 43 3.471 -10.048 -10.729 1.00 0.00 C ATOM 648 C TRP A 43 2.491 -10.305 -11.847 1.00 0.00 C ATOM 649 O TRP A 43 2.590 -11.257 -12.619 1.00 0.00 O ATOM 650 CB TRP A 43 4.614 -9.150 -11.225 1.00 0.00 C ATOM 651 CG TRP A 43 4.766 -8.068 -10.276 1.00 0.00 C ATOM 652 CD1 TRP A 43 5.250 -8.179 -9.019 1.00 0.00 C ATOM 653 CD2 TRP A 43 4.444 -6.652 -10.450 1.00 0.00 C ATOM 654 NE1 TRP A 43 5.220 -6.951 -8.392 1.00 0.00 N ATOM 655 CE2 TRP A 43 4.718 -5.974 -9.223 1.00 0.00 C ATOM 656 CE3 TRP A 43 3.932 -5.869 -11.512 1.00 0.00 C ATOM 657 CZ2 TRP A 43 4.478 -4.606 -9.048 1.00 0.00 C ATOM 658 CZ3 TRP A 43 3.706 -4.488 -11.353 1.00 0.00 C ATOM 659 CH2 TRP A 43 3.971 -3.862 -10.124 1.00 0.00 C ATOM 0 H TRP A 43 4.927 -11.510 -10.368 1.00 0.00 H new ATOM 0 HA TRP A 43 2.879 -9.547 -9.963 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.540 -9.719 -11.307 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.391 -8.760 -12.218 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.608 -9.095 -8.571 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.530 -6.787 -7.434 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.711 -6.338 -12.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.680 -4.131 -8.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.327 -3.907 -12.181 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.784 -2.805 -10.007 1.00 0.00 H new ATOM 670 N THR A 44 1.579 -9.340 -11.934 1.00 0.00 N ATOM 671 CA THR A 44 0.567 -9.285 -12.970 1.00 0.00 C ATOM 672 C THR A 44 0.312 -7.815 -13.303 1.00 0.00 C ATOM 673 O THR A 44 0.520 -6.943 -12.455 1.00 0.00 O ATOM 674 CB THR A 44 -0.729 -9.954 -12.505 1.00 0.00 C ATOM 675 OG1 THR A 44 -0.412 -11.011 -11.614 1.00 0.00 O ATOM 676 CG2 THR A 44 -1.486 -10.514 -13.709 1.00 0.00 C ATOM 0 H THR A 44 1.527 -8.565 -11.273 1.00 0.00 H new ATOM 0 HA THR A 44 0.914 -9.822 -13.853 1.00 0.00 H new ATOM 0 HB THR A 44 -1.356 -9.219 -12.000 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.168 -11.632 -11.561 1.00 0.00 H new ATOM 0 HG21 THR A 44 -2.407 -10.989 -13.371 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.727 -9.703 -14.397 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.865 -11.250 -14.219 1.00 0.00 H new ATOM 684 N TYR A 45 -0.160 -7.528 -14.505 1.00 0.00 N ATOM 685 CA TYR A 45 -0.454 -6.148 -14.882 1.00 0.00 C ATOM 686 C TYR A 45 -1.583 -6.119 -15.902 1.00 0.00 C ATOM 687 O TYR A 45 -1.624 -6.940 -16.814 1.00 0.00 O ATOM 688 CB TYR A 45 0.796 -5.477 -15.451 1.00 0.00 C ATOM 689 CG TYR A 45 0.429 -4.235 -16.245 1.00 0.00 C ATOM 690 CD1 TYR A 45 -0.472 -3.284 -15.734 1.00 0.00 C ATOM 691 CD2 TYR A 45 1.000 -4.030 -17.517 1.00 0.00 C ATOM 692 CE1 TYR A 45 -0.793 -2.132 -16.473 1.00 0.00 C ATOM 693 CE2 TYR A 45 0.687 -2.871 -18.251 1.00 0.00 C ATOM 694 CZ TYR A 45 -0.205 -1.922 -17.728 1.00 0.00 C ATOM 695 OH TYR A 45 -0.515 -0.786 -18.449 1.00 0.00 O ATOM 0 H TYR A 45 -0.347 -8.220 -15.231 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.767 -5.597 -13.995 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.471 -5.208 -14.639 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.331 -6.178 -16.091 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.922 -3.440 -14.765 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.678 -4.763 -17.929 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -1.491 -1.410 -16.075 1.00 0.00 H new ATOM 0 HE2 TYR A 45 1.135 -2.711 -19.221 1.00 0.00 H new ATOM 0 HH TYR A 45 -0.741 -0.059 -17.832 1.00 0.00 H new ATOM 705 N ASP A 46 -2.455 -5.127 -15.787 1.00 0.00 N ATOM 706 CA ASP A 46 -3.537 -4.928 -16.743 1.00 0.00 C ATOM 707 C ASP A 46 -3.545 -3.452 -17.167 1.00 0.00 C ATOM 708 O ASP A 46 -3.744 -2.567 -16.333 1.00 0.00 O ATOM 709 CB ASP A 46 -4.862 -5.389 -16.115 1.00 0.00 C ATOM 710 CG ASP A 46 -5.948 -4.354 -16.315 1.00 0.00 C ATOM 711 OD1 ASP A 46 -6.053 -3.798 -17.436 1.00 0.00 O ATOM 712 OD2 ASP A 46 -6.647 -4.013 -15.331 1.00 0.00 O ATOM 0 H ASP A 46 -2.434 -4.441 -15.033 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.395 -5.527 -17.643 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.170 -6.335 -16.561 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -4.720 -5.570 -15.050 1.00 0.00 H new ATOM 717 N ASP A 47 -3.330 -3.187 -18.440 1.00 0.00 N ATOM 718 CA ASP A 47 -3.317 -1.811 -18.923 1.00 0.00 C ATOM 719 C ASP A 47 -4.731 -1.295 -19.225 1.00 0.00 C ATOM 720 O ASP A 47 -5.152 -0.247 -18.728 1.00 0.00 O ATOM 721 CB ASP A 47 -2.498 -1.821 -20.211 1.00 0.00 C ATOM 722 CG ASP A 47 -2.333 -0.441 -20.839 1.00 0.00 C ATOM 723 OD1 ASP A 47 -2.532 0.601 -20.172 1.00 0.00 O ATOM 724 OD2 ASP A 47 -1.918 -0.414 -22.022 1.00 0.00 O ATOM 0 H ASP A 47 -3.163 -3.894 -19.156 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.895 -1.153 -18.163 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.512 -2.236 -20.002 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -2.977 -2.484 -20.931 1.00 0.00 H new ATOM 729 N ALA A 48 -5.395 -2.003 -20.131 1.00 0.00 N ATOM 730 CA ALA A 48 -6.728 -1.623 -20.658 1.00 0.00 C ATOM 731 C ALA A 48 -7.896 -1.932 -19.737 1.00 0.00 C ATOM 732 O ALA A 48 -9.039 -1.617 -20.064 1.00 0.00 O ATOM 733 CB ALA A 48 -6.978 -2.362 -21.973 1.00 0.00 C ATOM 0 H ALA A 48 -5.032 -2.867 -20.533 1.00 0.00 H new ATOM 0 HA ALA A 48 -6.690 -0.540 -20.775 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.957 -2.086 -22.365 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.208 -2.090 -22.695 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.947 -3.437 -21.798 1.00 0.00 H new ATOM 739 N THR A 49 -7.621 -2.509 -18.597 1.00 0.00 N ATOM 740 CA THR A 49 -8.667 -2.824 -17.630 1.00 0.00 C ATOM 741 C THR A 49 -8.202 -2.300 -16.286 1.00 0.00 C ATOM 742 O THR A 49 -8.723 -2.665 -15.232 1.00 0.00 O ATOM 743 CB THR A 49 -8.985 -4.341 -17.593 1.00 0.00 C ATOM 744 OG1 THR A 49 -8.444 -4.933 -16.426 1.00 0.00 O ATOM 745 CG2 THR A 49 -8.410 -5.039 -18.833 1.00 0.00 C ATOM 0 H THR A 49 -6.681 -2.776 -18.304 1.00 0.00 H new ATOM 0 HA THR A 49 -9.605 -2.347 -17.914 1.00 0.00 H new ATOM 0 HB THR A 49 -10.068 -4.460 -17.584 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.381 -4.260 -15.717 1.00 0.00 H new ATOM 0 HG21 THR A 49 -8.642 -6.103 -18.792 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.850 -4.606 -19.731 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.329 -4.904 -18.858 1.00 0.00 H new ATOM 753 N LYS A 50 -7.198 -1.414 -16.354 1.00 0.00 N ATOM 754 CA LYS A 50 -6.607 -0.783 -15.179 1.00 0.00 C ATOM 755 C LYS A 50 -6.596 -1.730 -14.002 1.00 0.00 C ATOM 756 O LYS A 50 -7.460 -1.664 -13.129 1.00 0.00 O ATOM 757 CB LYS A 50 -7.330 0.540 -14.818 1.00 0.00 C ATOM 758 CG LYS A 50 -8.785 0.569 -15.326 1.00 0.00 C ATOM 759 CD LYS A 50 -8.840 0.832 -16.854 1.00 0.00 C ATOM 760 CE LYS A 50 -10.105 1.627 -17.197 1.00 0.00 C ATOM 761 NZ LYS A 50 -11.302 0.880 -16.717 1.00 0.00 N ATOM 0 H LYS A 50 -6.775 -1.118 -17.234 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.574 -0.537 -15.426 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.323 0.672 -13.736 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.782 1.379 -15.245 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.271 -0.380 -15.100 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.341 1.345 -14.800 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.955 1.385 -17.170 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.835 -0.114 -17.396 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.066 2.612 -16.732 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.168 1.785 -18.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.151 1.239 -17.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.187 -0.132 -16.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.404 1.011 -15.690 1.00 0.00 H new ATOM 775 N THR A 51 -5.564 -2.560 -13.949 1.00 0.00 N ATOM 776 CA THR A 51 -5.417 -3.469 -12.811 1.00 0.00 C ATOM 777 C THR A 51 -3.986 -4.028 -12.654 1.00 0.00 C ATOM 778 O THR A 51 -3.219 -4.115 -13.612 1.00 0.00 O ATOM 779 CB THR A 51 -6.486 -4.564 -12.834 1.00 0.00 C ATOM 780 OG1 THR A 51 -7.719 -4.005 -13.263 1.00 0.00 O ATOM 781 CG2 THR A 51 -6.675 -5.152 -11.432 1.00 0.00 C ATOM 0 H THR A 51 -4.833 -2.627 -14.657 1.00 0.00 H new ATOM 0 HA THR A 51 -5.583 -2.875 -11.912 1.00 0.00 H new ATOM 0 HB THR A 51 -6.168 -5.352 -13.516 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.659 -3.771 -14.213 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.438 -5.930 -11.463 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.734 -5.581 -11.087 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.987 -4.364 -10.746 1.00 0.00 H new ATOM 789 N PHE A 52 -3.694 -4.466 -11.430 1.00 0.00 N ATOM 790 CA PHE A 52 -2.422 -5.110 -11.070 1.00 0.00 C ATOM 791 C PHE A 52 -2.718 -6.229 -10.098 1.00 0.00 C ATOM 792 O PHE A 52 -3.695 -6.149 -9.356 1.00 0.00 O ATOM 793 CB PHE A 52 -1.388 -4.169 -10.446 1.00 0.00 C ATOM 794 CG PHE A 52 -0.864 -3.247 -11.493 1.00 0.00 C ATOM 795 CD1 PHE A 52 -1.653 -2.175 -11.948 1.00 0.00 C ATOM 796 CD2 PHE A 52 0.423 -3.445 -12.027 1.00 0.00 C ATOM 797 CE1 PHE A 52 -1.160 -1.302 -12.935 1.00 0.00 C ATOM 798 CE2 PHE A 52 0.914 -2.578 -13.021 1.00 0.00 C ATOM 799 CZ PHE A 52 0.120 -1.512 -13.478 1.00 0.00 C ATOM 0 H PHE A 52 -4.341 -4.384 -10.646 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.978 -5.470 -11.998 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.842 -3.598 -9.636 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.571 -4.745 -10.011 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.640 -2.022 -11.538 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.034 -4.263 -11.674 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -1.763 -0.473 -13.275 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.901 -2.732 -13.433 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.494 -0.853 -14.248 1.00 0.00 H new ATOM 809 N THR A 53 -1.843 -7.224 -10.032 1.00 0.00 N ATOM 810 CA THR A 53 -2.024 -8.288 -9.047 1.00 0.00 C ATOM 811 C THR A 53 -0.681 -8.642 -8.419 1.00 0.00 C ATOM 812 O THR A 53 0.192 -9.238 -9.049 1.00 0.00 O ATOM 813 CB THR A 53 -2.685 -9.527 -9.689 1.00 0.00 C ATOM 814 OG1 THR A 53 -3.515 -9.104 -10.764 1.00 0.00 O ATOM 815 CG2 THR A 53 -3.542 -10.269 -8.652 1.00 0.00 C ATOM 0 H THR A 53 -1.022 -7.319 -10.630 1.00 0.00 H new ATOM 0 HA THR A 53 -2.692 -7.933 -8.262 1.00 0.00 H new ATOM 0 HB THR A 53 -1.908 -10.199 -10.054 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.937 -9.885 -11.178 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.003 -11.141 -9.117 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.912 -10.591 -7.823 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.320 -9.603 -8.279 1.00 0.00 H new ATOM 823 N VAL A 54 -0.551 -8.274 -7.147 1.00 0.00 N ATOM 824 CA VAL A 54 0.654 -8.551 -6.386 1.00 0.00 C ATOM 825 C VAL A 54 0.350 -9.818 -5.650 1.00 0.00 C ATOM 826 O VAL A 54 -0.679 -9.911 -5.019 1.00 0.00 O ATOM 827 CB VAL A 54 0.977 -7.403 -5.427 1.00 0.00 C ATOM 828 CG1 VAL A 54 2.086 -7.825 -4.459 1.00 0.00 C ATOM 829 CG2 VAL A 54 1.456 -6.199 -6.235 1.00 0.00 C ATOM 0 H VAL A 54 -1.273 -7.780 -6.623 1.00 0.00 H new ATOM 0 HA VAL A 54 1.534 -8.652 -7.022 1.00 0.00 H new ATOM 0 HB VAL A 54 0.082 -7.146 -4.860 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.309 -7.002 -3.780 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.757 -8.690 -3.884 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.982 -8.084 -5.023 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.688 -5.376 -5.559 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.350 -6.470 -6.797 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.672 -5.890 -6.927 1.00 0.00 H new ATOM 839 N THR A 55 1.264 -10.759 -5.666 1.00 0.00 N ATOM 840 CA THR A 55 1.012 -12.006 -4.934 1.00 0.00 C ATOM 841 C THR A 55 2.211 -12.564 -4.202 1.00 0.00 C ATOM 842 O THR A 55 3.088 -13.198 -4.783 1.00 0.00 O ATOM 843 CB THR A 55 0.455 -13.039 -5.918 1.00 0.00 C ATOM 844 OG1 THR A 55 -0.392 -12.380 -6.848 1.00 0.00 O ATOM 845 CG2 THR A 55 -0.359 -14.092 -5.166 1.00 0.00 C ATOM 0 H THR A 55 2.159 -10.705 -6.153 1.00 0.00 H new ATOM 0 HA THR A 55 0.293 -11.774 -4.148 1.00 0.00 H new ATOM 0 HB THR A 55 1.282 -13.525 -6.436 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.215 -12.097 -6.397 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.751 -14.822 -5.874 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.280 -14.596 -4.441 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.187 -13.609 -4.647 1.00 0.00 H new ATOM 853 N GLU A 56 2.187 -12.347 -2.899 1.00 0.00 N ATOM 854 CA GLU A 56 3.235 -12.841 -2.024 1.00 0.00 C ATOM 855 C GLU A 56 3.538 -14.292 -2.376 1.00 0.00 C ATOM 856 O GLU A 56 2.783 -15.152 -1.955 1.00 0.00 O ATOM 857 CB GLU A 56 2.806 -12.738 -0.554 1.00 0.00 C ATOM 858 CG GLU A 56 4.038 -12.826 0.360 1.00 0.00 C ATOM 859 CD GLU A 56 4.713 -14.182 0.175 1.00 0.00 C ATOM 860 OE1 GLU A 56 5.589 -14.291 -0.712 1.00 0.00 O ATOM 861 OE2 GLU A 56 4.298 -15.152 0.845 1.00 0.00 O ATOM 862 OXT GLU A 56 4.512 -14.519 -3.072 1.00 0.00 O ATOM 0 H GLU A 56 1.449 -11.829 -2.422 1.00 0.00 H new ATOM 0 HA GLU A 56 4.129 -12.234 -2.162 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.283 -11.797 -0.384 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.107 -13.539 -0.314 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.738 -12.024 0.123 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.742 -12.694 1.401 1.00 0.00 H new TER 869 GLU A 56 ATOM 870 N MET B 1 -4.868 -7.248 19.045 1.00 0.00 N ATOM 871 CA MET B 1 -5.962 -7.754 18.168 1.00 0.00 C ATOM 872 C MET B 1 -5.716 -7.303 16.737 1.00 0.00 C ATOM 873 O MET B 1 -4.601 -6.942 16.368 1.00 0.00 O ATOM 874 CB MET B 1 -7.319 -7.229 18.683 1.00 0.00 C ATOM 875 CG MET B 1 -7.632 -5.798 18.173 1.00 0.00 C ATOM 876 SD MET B 1 -6.118 -4.793 18.045 1.00 0.00 S ATOM 877 CE MET B 1 -6.160 -4.111 19.714 1.00 0.00 C ATOM 0 H1 MET B 1 -5.148 -7.346 20.042 1.00 0.00 H new ATOM 0 H2 MET B 1 -4.003 -7.798 18.873 1.00 0.00 H new ATOM 0 H3 MET B 1 -4.689 -6.246 18.833 1.00 0.00 H new ATOM 0 HA MET B 1 -5.980 -8.844 18.189 1.00 0.00 H new ATOM 0 HB2 MET B 1 -8.112 -7.906 18.365 1.00 0.00 H new ATOM 0 HB3 MET B 1 -7.316 -7.231 19.773 1.00 0.00 H new ATOM 0 HG2 MET B 1 -8.116 -5.855 17.198 1.00 0.00 H new ATOM 0 HG3 MET B 1 -8.336 -5.314 18.851 1.00 0.00 H new ATOM 0 HE1 MET B 1 -5.295 -3.465 19.865 1.00 0.00 H new ATOM 0 HE2 MET B 1 -7.074 -3.532 19.847 1.00 0.00 H new ATOM 0 HE3 MET B 1 -6.136 -4.924 20.440 1.00 0.00 H new ATOM 889 N GLN B 2 -6.771 -7.292 15.943 1.00 0.00 N ATOM 890 CA GLN B 2 -6.664 -6.844 14.571 1.00 0.00 C ATOM 891 C GLN B 2 -6.465 -5.333 14.598 1.00 0.00 C ATOM 892 O GLN B 2 -7.191 -4.629 15.290 1.00 0.00 O ATOM 893 CB GLN B 2 -7.945 -7.200 13.791 1.00 0.00 C ATOM 894 CG GLN B 2 -7.688 -7.159 12.270 1.00 0.00 C ATOM 895 CD GLN B 2 -6.877 -5.938 11.900 1.00 0.00 C ATOM 896 OE1 GLN B 2 -7.384 -4.825 11.831 1.00 0.00 O ATOM 897 NE2 GLN B 2 -5.599 -6.104 11.647 1.00 0.00 N ATOM 0 H GLN B 2 -7.706 -7.587 16.225 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.826 -7.332 14.073 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -8.288 -8.193 14.080 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -8.740 -6.500 14.049 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -7.159 -8.061 11.961 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -8.638 -7.147 11.735 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -5.184 -7.034 11.707 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -5.022 -5.303 11.391 1.00 0.00 H new ATOM 906 N TYR B 3 -5.487 -4.836 13.843 1.00 0.00 N ATOM 907 CA TYR B 3 -5.219 -3.392 13.786 1.00 0.00 C ATOM 908 C TYR B 3 -5.504 -2.902 12.379 1.00 0.00 C ATOM 909 O TYR B 3 -5.471 -3.706 11.454 1.00 0.00 O ATOM 910 CB TYR B 3 -3.777 -3.111 14.160 1.00 0.00 C ATOM 911 CG TYR B 3 -3.559 -3.496 15.601 1.00 0.00 C ATOM 912 CD1 TYR B 3 -3.776 -2.552 16.622 1.00 0.00 C ATOM 913 CD2 TYR B 3 -3.140 -4.800 15.937 1.00 0.00 C ATOM 914 CE1 TYR B 3 -3.589 -2.919 17.969 1.00 0.00 C ATOM 915 CE2 TYR B 3 -2.959 -5.165 17.283 1.00 0.00 C ATOM 916 CZ TYR B 3 -3.192 -4.224 18.299 1.00 0.00 C ATOM 917 OH TYR B 3 -3.009 -4.573 19.621 1.00 0.00 O ATOM 0 H TYR B 3 -4.868 -5.404 13.264 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.860 -2.869 14.495 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -3.104 -3.675 13.514 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -3.549 -2.055 14.014 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -4.085 -1.548 16.373 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -2.957 -5.523 15.156 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -3.752 -2.193 18.752 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -2.642 -6.166 17.535 1.00 0.00 H new ATOM 0 HH TYR B 3 -3.133 -3.783 20.188 1.00 0.00 H new ATOM 927 N LYS B 4 -5.757 -1.602 12.157 1.00 0.00 N ATOM 928 CA LYS B 4 -6.028 -1.119 10.808 1.00 0.00 C ATOM 929 C LYS B 4 -5.270 0.179 10.603 1.00 0.00 C ATOM 930 O LYS B 4 -5.117 0.950 11.534 1.00 0.00 O ATOM 931 CB LYS B 4 -7.533 -0.882 10.663 1.00 0.00 C ATOM 932 CG LYS B 4 -7.846 -0.240 9.314 1.00 0.00 C ATOM 933 CD LYS B 4 -9.358 -0.253 9.106 1.00 0.00 C ATOM 934 CE LYS B 4 -9.701 0.320 7.733 1.00 0.00 C ATOM 935 NZ LYS B 4 -9.445 -0.706 6.681 1.00 0.00 N ATOM 0 H LYS B 4 -5.778 -0.885 12.882 1.00 0.00 H new ATOM 0 HA LYS B 4 -5.709 -1.847 10.063 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -8.066 -1.828 10.755 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -7.885 -0.238 11.469 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -7.469 0.782 9.285 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -7.349 -0.785 8.511 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -9.736 -1.272 9.189 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -9.846 0.332 9.886 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -10.746 0.628 7.708 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -9.102 1.210 7.540 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -9.774 -0.350 5.761 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -8.425 -0.905 6.631 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -9.957 -1.580 6.917 1.00 0.00 H new ATOM 949 N LEU B 5 -4.757 0.416 9.402 1.00 0.00 N ATOM 950 CA LEU B 5 -3.994 1.641 9.151 1.00 0.00 C ATOM 951 C LEU B 5 -4.639 2.538 8.125 1.00 0.00 C ATOM 952 O LEU B 5 -5.136 2.075 7.104 1.00 0.00 O ATOM 953 CB LEU B 5 -2.581 1.289 8.682 1.00 0.00 C ATOM 954 CG LEU B 5 -1.775 2.580 8.356 1.00 0.00 C ATOM 955 CD1 LEU B 5 -0.349 2.460 8.909 1.00 0.00 C ATOM 956 CD2 LEU B 5 -1.696 2.787 6.832 1.00 0.00 C ATOM 0 H LEU B 5 -4.850 -0.206 8.599 1.00 0.00 H new ATOM 0 HA LEU B 5 -3.965 2.186 10.094 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -2.067 0.718 9.455 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.633 0.653 7.798 1.00 0.00 H new ATOM 0 HG LEU B 5 -2.283 3.428 8.816 1.00 0.00 H new ATOM 0 HD11 LEU B 5 0.209 3.367 8.677 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -0.388 2.325 9.990 1.00 0.00 H new ATOM 0 HD13 LEU B 5 0.147 1.603 8.454 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -1.130 3.693 6.617 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -1.200 1.932 6.374 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -2.703 2.883 6.425 1.00 0.00 H new ATOM 968 N ILE B 6 -4.616 3.843 8.419 1.00 0.00 N ATOM 969 CA ILE B 6 -5.188 4.865 7.539 1.00 0.00 C ATOM 970 C ILE B 6 -4.063 5.601 6.851 1.00 0.00 C ATOM 971 O ILE B 6 -3.063 5.941 7.488 1.00 0.00 O ATOM 972 CB ILE B 6 -5.994 5.866 8.343 1.00 0.00 C ATOM 973 CG1 ILE B 6 -6.995 5.088 9.195 1.00 0.00 C ATOM 974 CG2 ILE B 6 -6.704 6.825 7.382 1.00 0.00 C ATOM 975 CD1 ILE B 6 -7.952 6.040 9.902 1.00 0.00 C ATOM 0 H ILE B 6 -4.201 4.218 9.272 1.00 0.00 H new ATOM 0 HA ILE B 6 -5.839 4.380 6.811 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.354 6.459 8.997 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -7.558 4.399 8.566 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -6.463 4.485 9.931 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -7.286 7.548 7.953 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -5.963 7.350 6.779 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -7.369 6.260 6.729 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -8.657 5.467 10.504 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -7.386 6.712 10.548 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -8.498 6.624 9.161 1.00 0.00 H new ATOM 987 N LEU B 7 -4.202 5.825 5.548 1.00 0.00 N ATOM 988 CA LEU B 7 -3.168 6.496 4.777 1.00 0.00 C ATOM 989 C LEU B 7 -3.670 7.838 4.246 1.00 0.00 C ATOM 990 O LEU B 7 -4.659 7.908 3.519 1.00 0.00 O ATOM 991 CB LEU B 7 -2.735 5.575 3.627 1.00 0.00 C ATOM 992 CG LEU B 7 -1.317 5.951 3.114 1.00 0.00 C ATOM 993 CD1 LEU B 7 -0.602 4.690 2.629 1.00 0.00 C ATOM 994 CD2 LEU B 7 -1.407 6.934 1.949 1.00 0.00 C ATOM 0 H LEU B 7 -5.022 5.551 5.006 1.00 0.00 H new ATOM 0 HA LEU B 7 -2.311 6.703 5.417 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -2.740 4.539 3.965 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -3.452 5.647 2.809 1.00 0.00 H new ATOM 0 HG LEU B 7 -0.767 6.413 3.934 1.00 0.00 H new ATOM 0 HD11 LEU B 7 0.393 4.952 2.269 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -0.515 3.981 3.453 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -1.173 4.236 1.819 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -0.403 7.184 1.605 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -1.968 6.480 1.132 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -1.915 7.841 2.277 1.00 0.00 H new ATOM 1006 N ASN B 8 -2.903 8.880 4.562 1.00 0.00 N ATOM 1007 CA ASN B 8 -3.192 10.218 4.055 1.00 0.00 C ATOM 1008 C ASN B 8 -1.955 10.721 3.303 1.00 0.00 C ATOM 1009 O ASN B 8 -0.937 11.028 3.919 1.00 0.00 O ATOM 1010 CB ASN B 8 -3.633 11.227 5.166 1.00 0.00 C ATOM 1011 CG ASN B 8 -3.479 10.711 6.599 1.00 0.00 C ATOM 1012 OD1 ASN B 8 -3.166 11.517 7.467 1.00 0.00 O ATOM 1013 ND2 ASN B 8 -3.549 9.423 6.846 1.00 0.00 N ATOM 0 H ASN B 8 -2.081 8.823 5.164 1.00 0.00 H new ATOM 0 HA ASN B 8 -4.048 10.151 3.384 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -3.049 12.141 5.059 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -4.677 11.494 5.001 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -3.340 9.071 7.780 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -3.812 8.775 6.104 1.00 0.00 H new ATOM 1020 N GLY B 9 -2.048 10.795 1.970 1.00 0.00 N ATOM 1021 CA GLY B 9 -0.919 11.259 1.169 1.00 0.00 C ATOM 1022 C GLY B 9 -1.367 11.808 -0.180 1.00 0.00 C ATOM 1023 O GLY B 9 -2.459 11.501 -0.663 1.00 0.00 O ATOM 0 H GLY B 9 -2.879 10.544 1.435 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -0.380 12.033 1.715 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.222 10.436 1.013 1.00 0.00 H new ATOM 1027 N LYS B 10 -0.504 12.625 -0.776 1.00 0.00 N ATOM 1028 CA LYS B 10 -0.782 13.232 -2.070 1.00 0.00 C ATOM 1029 C LYS B 10 -0.534 12.214 -3.173 1.00 0.00 C ATOM 1030 O LYS B 10 -1.344 12.045 -4.082 1.00 0.00 O ATOM 1031 CB LYS B 10 0.126 14.462 -2.261 1.00 0.00 C ATOM 1032 CG LYS B 10 0.228 15.265 -0.948 1.00 0.00 C ATOM 1033 CD LYS B 10 -1.153 15.781 -0.533 1.00 0.00 C ATOM 1034 CE LYS B 10 -1.033 16.598 0.753 1.00 0.00 C ATOM 1035 NZ LYS B 10 -2.382 17.099 1.142 1.00 0.00 N ATOM 0 H LYS B 10 0.400 12.882 -0.379 1.00 0.00 H new ATOM 0 HA LYS B 10 -1.824 13.550 -2.114 1.00 0.00 H new ATOM 0 HB2 LYS B 10 1.119 14.143 -2.578 1.00 0.00 H new ATOM 0 HB3 LYS B 10 -0.272 15.097 -3.053 1.00 0.00 H new ATOM 0 HG2 LYS B 10 0.641 14.635 -0.160 1.00 0.00 H new ATOM 0 HG3 LYS B 10 0.913 16.103 -1.078 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -1.576 16.396 -1.328 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -1.834 14.944 -0.381 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -0.616 15.984 1.551 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -0.350 17.434 0.604 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -2.306 17.656 2.017 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -2.762 17.698 0.382 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -3.020 16.293 1.299 1.00 0.00 H new ATOM 1049 N THR B 11 0.599 11.536 -3.073 1.00 0.00 N ATOM 1050 CA THR B 11 0.975 10.526 -4.054 1.00 0.00 C ATOM 1051 C THR B 11 0.309 9.191 -3.743 1.00 0.00 C ATOM 1052 O THR B 11 0.255 8.298 -4.589 1.00 0.00 O ATOM 1053 CB THR B 11 2.495 10.329 -4.028 1.00 0.00 C ATOM 1054 OG1 THR B 11 3.138 11.556 -4.348 1.00 0.00 O ATOM 1055 CG2 THR B 11 2.876 9.264 -5.056 1.00 0.00 C ATOM 0 H THR B 11 1.276 11.666 -2.321 1.00 0.00 H new ATOM 0 HA THR B 11 0.649 10.868 -5.036 1.00 0.00 H new ATOM 0 HB THR B 11 2.810 10.009 -3.035 1.00 0.00 H new ATOM 0 HG1 THR B 11 4.110 11.431 -4.330 1.00 0.00 H new ATOM 0 HG21 THR B 11 3.956 9.117 -5.045 1.00 0.00 H new ATOM 0 HG22 THR B 11 2.380 8.326 -4.809 1.00 0.00 H new ATOM 0 HG23 THR B 11 2.565 9.589 -6.049 1.00 0.00 H new ATOM 1063 N LEU B 12 -0.200 9.056 -2.528 1.00 0.00 N ATOM 1064 CA LEU B 12 -0.839 7.791 -2.148 1.00 0.00 C ATOM 1065 C LEU B 12 -1.956 7.959 -1.129 1.00 0.00 C ATOM 1066 O LEU B 12 -1.940 8.862 -0.295 1.00 0.00 O ATOM 1067 CB LEU B 12 0.232 6.838 -1.601 1.00 0.00 C ATOM 1068 CG LEU B 12 -0.104 5.374 -1.966 1.00 0.00 C ATOM 1069 CD1 LEU B 12 0.379 5.058 -3.396 1.00 0.00 C ATOM 1070 CD2 LEU B 12 0.578 4.428 -0.967 1.00 0.00 C ATOM 0 H LEU B 12 -0.189 9.776 -1.805 1.00 0.00 H new ATOM 0 HA LEU B 12 -1.305 7.381 -3.044 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.207 7.105 -2.009 1.00 0.00 H new ATOM 0 HB3 LEU B 12 0.300 6.942 -0.518 1.00 0.00 H new ATOM 0 HG LEU B 12 -1.184 5.234 -1.921 1.00 0.00 H new ATOM 0 HD11 LEU B 12 0.137 4.024 -3.642 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -0.116 5.724 -4.103 1.00 0.00 H new ATOM 0 HD13 LEU B 12 1.458 5.202 -3.456 1.00 0.00 H new ATOM 0 HD21 LEU B 12 0.341 3.395 -1.224 1.00 0.00 H new ATOM 0 HD22 LEU B 12 1.657 4.574 -1.007 1.00 0.00 H new ATOM 0 HD23 LEU B 12 0.220 4.643 0.040 1.00 0.00 H new ATOM 1082 N LYS B 13 -2.914 7.037 -1.208 1.00 0.00 N ATOM 1083 CA LYS B 13 -4.055 6.998 -0.306 1.00 0.00 C ATOM 1084 C LYS B 13 -4.494 5.536 -0.153 1.00 0.00 C ATOM 1085 O LYS B 13 -4.400 4.774 -1.113 1.00 0.00 O ATOM 1086 CB LYS B 13 -5.197 7.845 -0.866 1.00 0.00 C ATOM 1087 CG LYS B 13 -4.730 9.296 -0.950 1.00 0.00 C ATOM 1088 CD LYS B 13 -5.837 10.202 -1.473 1.00 0.00 C ATOM 1089 CE LYS B 13 -5.286 11.625 -1.469 1.00 0.00 C ATOM 1090 NZ LYS B 13 -4.968 12.015 -0.065 1.00 0.00 N ATOM 0 H LYS B 13 -2.917 6.293 -1.906 1.00 0.00 H new ATOM 0 HA LYS B 13 -3.781 7.406 0.667 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -5.488 7.483 -1.852 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -6.076 7.767 -0.226 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -4.413 9.636 0.036 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -3.861 9.364 -1.605 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -6.135 9.906 -2.479 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -6.724 10.130 -0.844 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -4.391 11.685 -2.089 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -6.016 12.313 -1.895 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -5.246 13.005 0.092 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -5.489 11.400 0.593 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -3.946 11.912 0.101 1.00 0.00 H new ATOM 1104 N GLY B 14 -4.969 5.131 1.026 1.00 0.00 N ATOM 1105 CA GLY B 14 -5.402 3.741 1.199 1.00 0.00 C ATOM 1106 C GLY B 14 -5.526 3.352 2.666 1.00 0.00 C ATOM 1107 O GLY B 14 -5.196 4.128 3.564 1.00 0.00 O ATOM 0 H GLY B 14 -5.063 5.722 1.852 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -6.363 3.598 0.705 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -4.690 3.077 0.708 1.00 0.00 H new ATOM 1111 N GLU B 15 -5.997 2.120 2.892 1.00 0.00 N ATOM 1112 CA GLU B 15 -6.164 1.581 4.244 1.00 0.00 C ATOM 1113 C GLU B 15 -5.704 0.119 4.284 1.00 0.00 C ATOM 1114 O GLU B 15 -6.140 -0.692 3.469 1.00 0.00 O ATOM 1115 CB GLU B 15 -7.643 1.630 4.665 1.00 0.00 C ATOM 1116 CG GLU B 15 -8.142 3.073 4.774 1.00 0.00 C ATOM 1117 CD GLU B 15 -9.650 3.052 5.005 1.00 0.00 C ATOM 1118 OE1 GLU B 15 -10.074 2.800 6.155 1.00 0.00 O ATOM 1119 OE2 GLU B 15 -10.400 3.168 4.010 1.00 0.00 O ATOM 0 H GLU B 15 -6.270 1.475 2.150 1.00 0.00 H new ATOM 0 HA GLU B 15 -5.566 2.186 4.925 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -8.248 1.087 3.939 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -7.767 1.126 5.624 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -7.641 3.585 5.595 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -7.907 3.624 3.864 1.00 0.00 H new ATOM 1126 N THR B 16 -4.804 -0.212 5.218 1.00 0.00 N ATOM 1127 CA THR B 16 -4.283 -1.592 5.336 1.00 0.00 C ATOM 1128 C THR B 16 -4.798 -2.239 6.626 1.00 0.00 C ATOM 1129 O THR B 16 -5.370 -1.545 7.473 1.00 0.00 O ATOM 1130 CB THR B 16 -2.750 -1.599 5.240 1.00 0.00 C ATOM 1131 OG1 THR B 16 -2.184 -0.988 6.383 1.00 0.00 O ATOM 1132 CG2 THR B 16 -2.311 -0.831 3.982 1.00 0.00 C ATOM 0 H THR B 16 -4.421 0.444 5.899 1.00 0.00 H new ATOM 0 HA THR B 16 -4.651 -2.193 4.505 1.00 0.00 H new ATOM 0 HB THR B 16 -2.405 -2.631 5.182 1.00 0.00 H new ATOM 0 HG1 THR B 16 -1.207 -1.000 6.310 1.00 0.00 H new ATOM 0 HG21 THR B 16 -1.223 -0.836 3.914 1.00 0.00 H new ATOM 0 HG22 THR B 16 -2.732 -1.310 3.098 1.00 0.00 H new ATOM 0 HG23 THR B 16 -2.666 0.198 4.041 1.00 0.00 H new ATOM 1140 N THR B 17 -4.622 -3.566 6.810 1.00 0.00 N ATOM 1141 CA THR B 17 -5.119 -4.230 8.019 1.00 0.00 C ATOM 1142 C THR B 17 -4.198 -5.406 8.389 1.00 0.00 C ATOM 1143 O THR B 17 -3.834 -6.210 7.534 1.00 0.00 O ATOM 1144 CB THR B 17 -6.557 -4.733 7.750 1.00 0.00 C ATOM 1145 OG1 THR B 17 -7.137 -3.913 6.751 1.00 0.00 O ATOM 1146 CG2 THR B 17 -7.452 -4.669 9.001 1.00 0.00 C ATOM 0 H THR B 17 -4.149 -4.181 6.148 1.00 0.00 H new ATOM 0 HA THR B 17 -5.128 -3.529 8.854 1.00 0.00 H new ATOM 0 HB THR B 17 -6.489 -5.776 7.440 1.00 0.00 H new ATOM 0 HG1 THR B 17 -8.050 -4.219 6.566 1.00 0.00 H new ATOM 0 HG21 THR B 17 -8.449 -5.034 8.754 1.00 0.00 H new ATOM 0 HG22 THR B 17 -7.023 -5.290 9.787 1.00 0.00 H new ATOM 0 HG23 THR B 17 -7.519 -3.638 9.348 1.00 0.00 H new ATOM 1154 N THR B 18 -3.813 -5.483 9.657 1.00 0.00 N ATOM 1155 CA THR B 18 -2.919 -6.554 10.096 1.00 0.00 C ATOM 1156 C THR B 18 -3.089 -6.838 11.574 1.00 0.00 C ATOM 1157 O THR B 18 -3.144 -5.910 12.385 1.00 0.00 O ATOM 1158 CB THR B 18 -1.459 -6.151 9.805 1.00 0.00 C ATOM 1159 OG1 THR B 18 -0.654 -7.318 9.719 1.00 0.00 O ATOM 1160 CG2 THR B 18 -0.907 -5.241 10.916 1.00 0.00 C ATOM 0 H THR B 18 -4.097 -4.832 10.389 1.00 0.00 H new ATOM 0 HA THR B 18 -3.170 -7.462 9.548 1.00 0.00 H new ATOM 0 HB THR B 18 -1.436 -5.606 8.862 1.00 0.00 H new ATOM 0 HG1 THR B 18 0.274 -7.063 9.532 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.124 -4.971 10.687 1.00 0.00 H new ATOM 0 HG22 THR B 18 -1.513 -4.337 10.981 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.940 -5.769 11.869 1.00 0.00 H new ATOM 1168 N GLU B 19 -3.127 -8.112 11.951 1.00 0.00 N ATOM 1169 CA GLU B 19 -3.232 -8.478 13.342 1.00 0.00 C ATOM 1170 C GLU B 19 -1.839 -8.891 13.765 1.00 0.00 C ATOM 1171 O GLU B 19 -1.231 -9.765 13.152 1.00 0.00 O ATOM 1172 CB GLU B 19 -4.206 -9.655 13.474 1.00 0.00 C ATOM 1173 CG GLU B 19 -4.449 -9.995 14.946 1.00 0.00 C ATOM 1174 CD GLU B 19 -5.359 -11.211 15.023 1.00 0.00 C ATOM 1175 OE1 GLU B 19 -4.831 -12.313 14.752 1.00 0.00 O ATOM 1176 OE2 GLU B 19 -6.592 -11.061 15.171 1.00 0.00 O ATOM 0 H GLU B 19 -3.086 -8.901 11.306 1.00 0.00 H new ATOM 0 HA GLU B 19 -3.603 -7.663 13.963 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -5.152 -9.406 12.992 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -3.804 -10.526 12.956 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -3.503 -10.199 15.448 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -4.906 -9.148 15.459 1.00 0.00 H new ATOM 1183 N ALA B 20 -1.319 -8.235 14.775 1.00 0.00 N ATOM 1184 CA ALA B 20 0.032 -8.507 15.250 1.00 0.00 C ATOM 1185 C ALA B 20 -0.055 -9.114 16.613 1.00 0.00 C ATOM 1186 O ALA B 20 -1.152 -9.293 17.142 1.00 0.00 O ATOM 1187 CB ALA B 20 0.831 -7.212 15.287 1.00 0.00 C ATOM 0 H ALA B 20 -1.808 -7.504 15.291 1.00 0.00 H new ATOM 0 HA ALA B 20 0.538 -9.201 14.579 1.00 0.00 H new ATOM 0 HB1 ALA B 20 1.841 -7.417 15.642 1.00 0.00 H new ATOM 0 HB2 ALA B 20 0.879 -6.785 14.285 1.00 0.00 H new ATOM 0 HB3 ALA B 20 0.346 -6.505 15.960 1.00 0.00 H new ATOM 1193 N VAL B 21 1.073 -9.410 17.217 1.00 0.00 N ATOM 1194 CA VAL B 21 1.002 -9.964 18.535 1.00 0.00 C ATOM 1195 C VAL B 21 0.349 -8.945 19.462 1.00 0.00 C ATOM 1196 O VAL B 21 -0.529 -9.320 20.238 1.00 0.00 O ATOM 1197 CB VAL B 21 2.372 -10.415 19.049 1.00 0.00 C ATOM 1198 CG1 VAL B 21 3.395 -9.292 18.899 1.00 0.00 C ATOM 1199 CG2 VAL B 21 2.239 -10.830 20.517 1.00 0.00 C ATOM 0 H VAL B 21 2.009 -9.282 16.832 1.00 0.00 H new ATOM 0 HA VAL B 21 0.390 -10.866 18.508 1.00 0.00 H new ATOM 0 HB VAL B 21 2.721 -11.265 18.462 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.363 -9.630 19.269 1.00 0.00 H new ATOM 0 HG12 VAL B 21 3.484 -9.019 17.848 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.070 -8.424 19.473 1.00 0.00 H new ATOM 0 HG21 VAL B 21 3.210 -11.153 20.893 1.00 0.00 H new ATOM 0 HG22 VAL B 21 1.886 -9.982 21.104 1.00 0.00 H new ATOM 0 HG23 VAL B 21 1.526 -11.650 20.600 1.00 0.00 H new ATOM 1209 N ASP B 22 0.736 -7.651 19.403 1.00 0.00 N ATOM 1210 CA ASP B 22 0.125 -6.663 20.275 1.00 0.00 C ATOM 1211 C ASP B 22 0.588 -5.225 19.881 1.00 0.00 C ATOM 1212 O ASP B 22 1.135 -4.987 18.800 1.00 0.00 O ATOM 1213 CB ASP B 22 0.529 -6.983 21.728 1.00 0.00 C ATOM 1214 CG ASP B 22 -0.173 -6.064 22.723 1.00 0.00 C ATOM 1215 OD1 ASP B 22 -1.405 -6.186 22.925 1.00 0.00 O ATOM 1216 OD2 ASP B 22 0.525 -5.190 23.292 1.00 0.00 O ATOM 0 H ASP B 22 1.451 -7.288 18.773 1.00 0.00 H new ATOM 0 HA ASP B 22 -0.960 -6.700 20.176 1.00 0.00 H new ATOM 0 HB2 ASP B 22 0.283 -8.020 21.954 1.00 0.00 H new ATOM 0 HB3 ASP B 22 1.609 -6.880 21.837 1.00 0.00 H new ATOM 1221 N ALA B 23 0.310 -4.305 20.788 1.00 0.00 N ATOM 1222 CA ALA B 23 0.637 -2.878 20.613 1.00 0.00 C ATOM 1223 C ALA B 23 2.097 -2.699 20.152 1.00 0.00 C ATOM 1224 O ALA B 23 2.400 -1.861 19.318 1.00 0.00 O ATOM 1225 CB ALA B 23 0.390 -2.107 21.913 1.00 0.00 C ATOM 0 H ALA B 23 -0.150 -4.515 21.674 1.00 0.00 H new ATOM 0 HA ALA B 23 -0.016 -2.475 19.839 1.00 0.00 H new ATOM 0 HB1 ALA B 23 0.637 -1.056 21.765 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -0.659 -2.197 22.196 1.00 0.00 H new ATOM 0 HB3 ALA B 23 1.016 -2.519 22.705 1.00 0.00 H new ATOM 1231 N ALA B 24 3.013 -3.400 20.750 1.00 0.00 N ATOM 1232 CA ALA B 24 4.412 -3.233 20.398 1.00 0.00 C ATOM 1233 C ALA B 24 4.696 -3.651 18.947 1.00 0.00 C ATOM 1234 O ALA B 24 5.557 -3.066 18.301 1.00 0.00 O ATOM 1235 CB ALA B 24 5.285 -4.061 21.339 1.00 0.00 C ATOM 0 H ALA B 24 2.831 -4.090 21.479 1.00 0.00 H new ATOM 0 HA ALA B 24 4.648 -2.173 20.496 1.00 0.00 H new ATOM 0 HB1 ALA B 24 6.333 -3.932 21.070 1.00 0.00 H new ATOM 0 HB2 ALA B 24 5.130 -3.729 22.366 1.00 0.00 H new ATOM 0 HB3 ALA B 24 5.015 -5.114 21.253 1.00 0.00 H new ATOM 1241 N THR B 25 4.014 -4.698 18.463 1.00 0.00 N ATOM 1242 CA THR B 25 4.264 -5.216 17.100 1.00 0.00 C ATOM 1243 C THR B 25 3.416 -4.584 15.973 1.00 0.00 C ATOM 1244 O THR B 25 3.976 -4.066 15.010 1.00 0.00 O ATOM 1245 CB THR B 25 4.100 -6.733 17.104 1.00 0.00 C ATOM 1246 OG1 THR B 25 4.804 -7.242 18.224 1.00 0.00 O ATOM 1247 CG2 THR B 25 4.690 -7.328 15.819 1.00 0.00 C ATOM 0 H THR B 25 3.294 -5.201 18.982 1.00 0.00 H new ATOM 0 HA THR B 25 5.286 -4.925 16.859 1.00 0.00 H new ATOM 0 HB THR B 25 3.044 -6.997 17.158 1.00 0.00 H new ATOM 0 HG1 THR B 25 5.499 -7.862 17.919 1.00 0.00 H new ATOM 0 HG21 THR B 25 4.569 -8.411 15.830 1.00 0.00 H new ATOM 0 HG22 THR B 25 4.171 -6.914 14.955 1.00 0.00 H new ATOM 0 HG23 THR B 25 5.750 -7.082 15.758 1.00 0.00 H new ATOM 1255 N ALA B 26 2.085 -4.642 16.058 1.00 0.00 N ATOM 1256 CA ALA B 26 1.248 -4.079 14.977 1.00 0.00 C ATOM 1257 C ALA B 26 1.663 -2.659 14.681 1.00 0.00 C ATOM 1258 O ALA B 26 1.510 -2.163 13.573 1.00 0.00 O ATOM 1259 CB ALA B 26 -0.244 -4.128 15.387 1.00 0.00 C ATOM 0 H ALA B 26 1.569 -5.057 16.834 1.00 0.00 H new ATOM 0 HA ALA B 26 1.386 -4.675 14.075 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.855 -3.712 14.586 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -0.538 -5.162 15.568 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -0.391 -3.545 16.296 1.00 0.00 H new ATOM 1265 N GLU B 27 2.213 -2.048 15.682 1.00 0.00 N ATOM 1266 CA GLU B 27 2.697 -0.701 15.566 1.00 0.00 C ATOM 1267 C GLU B 27 4.037 -0.741 14.855 1.00 0.00 C ATOM 1268 O GLU B 27 4.321 0.045 13.933 1.00 0.00 O ATOM 1269 CB GLU B 27 2.830 -0.108 16.965 1.00 0.00 C ATOM 1270 CG GLU B 27 1.445 0.002 17.639 1.00 0.00 C ATOM 1271 CD GLU B 27 0.612 -1.309 17.528 1.00 0.00 C ATOM 1272 OE1 GLU B 27 1.190 -2.380 17.806 1.00 0.00 O ATOM 1273 OE2 GLU B 27 -0.623 -1.224 17.346 1.00 0.00 O ATOM 0 H GLU B 27 2.341 -2.465 16.604 1.00 0.00 H new ATOM 0 HA GLU B 27 2.011 -0.077 14.993 1.00 0.00 H new ATOM 0 HB2 GLU B 27 3.487 -0.733 17.570 1.00 0.00 H new ATOM 0 HB3 GLU B 27 3.292 0.878 16.906 1.00 0.00 H new ATOM 0 HG2 GLU B 27 1.577 0.255 18.691 1.00 0.00 H new ATOM 0 HG3 GLU B 27 0.888 0.820 17.182 1.00 0.00 H new ATOM 1280 N LYS B 28 4.848 -1.696 15.285 1.00 0.00 N ATOM 1281 CA LYS B 28 6.177 -1.881 14.702 1.00 0.00 C ATOM 1282 C LYS B 28 6.113 -2.115 13.194 1.00 0.00 C ATOM 1283 O LYS B 28 6.895 -1.531 12.445 1.00 0.00 O ATOM 1284 CB LYS B 28 6.853 -3.086 15.353 1.00 0.00 C ATOM 1285 CG LYS B 28 8.295 -3.218 14.872 1.00 0.00 C ATOM 1286 CD LYS B 28 8.943 -4.396 15.602 1.00 0.00 C ATOM 1287 CE LYS B 28 10.404 -4.529 15.178 1.00 0.00 C ATOM 1288 NZ LYS B 28 10.468 -4.881 13.729 1.00 0.00 N ATOM 0 H LYS B 28 4.616 -2.353 16.030 1.00 0.00 H new ATOM 0 HA LYS B 28 6.745 -0.969 14.884 1.00 0.00 H new ATOM 0 HB2 LYS B 28 6.834 -2.978 16.438 1.00 0.00 H new ATOM 0 HB3 LYS B 28 6.299 -3.994 15.113 1.00 0.00 H new ATOM 0 HG2 LYS B 28 8.322 -3.379 13.794 1.00 0.00 H new ATOM 0 HG3 LYS B 28 8.847 -2.299 15.071 1.00 0.00 H new ATOM 0 HD2 LYS B 28 8.880 -4.246 16.680 1.00 0.00 H new ATOM 0 HD3 LYS B 28 8.404 -5.316 15.376 1.00 0.00 H new ATOM 0 HE2 LYS B 28 10.934 -3.594 15.360 1.00 0.00 H new ATOM 0 HE3 LYS B 28 10.899 -5.297 15.773 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 10.970 -5.784 13.613 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 9.503 -4.970 13.350 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 10.975 -4.134 13.212 1.00 0.00 H new ATOM 1302 N VAL B 29 5.207 -2.983 12.746 1.00 0.00 N ATOM 1303 CA VAL B 29 5.118 -3.278 11.317 1.00 0.00 C ATOM 1304 C VAL B 29 4.728 -2.044 10.513 1.00 0.00 C ATOM 1305 O VAL B 29 5.423 -1.662 9.572 1.00 0.00 O ATOM 1306 CB VAL B 29 4.111 -4.397 11.063 1.00 0.00 C ATOM 1307 CG1 VAL B 29 4.267 -4.886 9.619 1.00 0.00 C ATOM 1308 CG2 VAL B 29 4.382 -5.554 12.037 1.00 0.00 C ATOM 0 H VAL B 29 4.540 -3.483 13.334 1.00 0.00 H new ATOM 0 HA VAL B 29 6.106 -3.600 10.989 1.00 0.00 H new ATOM 0 HB VAL B 29 3.096 -4.030 11.217 1.00 0.00 H new ATOM 0 HG11 VAL B 29 3.552 -5.686 9.427 1.00 0.00 H new ATOM 0 HG12 VAL B 29 4.081 -4.060 8.933 1.00 0.00 H new ATOM 0 HG13 VAL B 29 5.280 -5.261 9.469 1.00 0.00 H new ATOM 0 HG21 VAL B 29 3.665 -6.355 11.859 1.00 0.00 H new ATOM 0 HG22 VAL B 29 5.393 -5.931 11.882 1.00 0.00 H new ATOM 0 HG23 VAL B 29 4.281 -5.198 13.062 1.00 0.00 H new ATOM 1318 N PHE B 30 3.589 -1.457 10.844 1.00 0.00 N ATOM 1319 CA PHE B 30 3.120 -0.316 10.079 1.00 0.00 C ATOM 1320 C PHE B 30 4.242 0.724 9.969 1.00 0.00 C ATOM 1321 O PHE B 30 4.396 1.376 8.926 1.00 0.00 O ATOM 1322 CB PHE B 30 1.894 0.322 10.744 1.00 0.00 C ATOM 1323 CG PHE B 30 0.635 -0.527 10.607 1.00 0.00 C ATOM 1324 CD1 PHE B 30 0.167 -0.968 9.355 1.00 0.00 C ATOM 1325 CD2 PHE B 30 -0.103 -0.838 11.770 1.00 0.00 C ATOM 1326 CE1 PHE B 30 -1.023 -1.713 9.264 1.00 0.00 C ATOM 1327 CE2 PHE B 30 -1.297 -1.577 11.679 1.00 0.00 C ATOM 1328 CZ PHE B 30 -1.747 -2.025 10.427 1.00 0.00 C ATOM 0 H PHE B 30 2.987 -1.743 11.616 1.00 0.00 H new ATOM 0 HA PHE B 30 2.835 -0.660 9.085 1.00 0.00 H new ATOM 0 HB2 PHE B 30 2.104 0.484 11.801 1.00 0.00 H new ATOM 0 HB3 PHE B 30 1.715 1.302 10.301 1.00 0.00 H new ATOM 0 HD1 PHE B 30 0.724 -0.733 8.460 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.251 -0.507 12.735 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -1.380 -2.045 8.300 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -1.866 -1.799 12.570 1.00 0.00 H new ATOM 0 HZ PHE B 30 -2.652 -2.611 10.358 1.00 0.00 H new ATOM 1338 N LYS B 31 5.057 0.848 11.020 1.00 0.00 N ATOM 1339 CA LYS B 31 6.186 1.787 10.967 1.00 0.00 C ATOM 1340 C LYS B 31 7.210 1.355 9.951 1.00 0.00 C ATOM 1341 O LYS B 31 7.774 2.176 9.229 1.00 0.00 O ATOM 1342 CB LYS B 31 6.846 1.957 12.336 1.00 0.00 C ATOM 1343 CG LYS B 31 5.962 2.843 13.205 1.00 0.00 C ATOM 1344 CD LYS B 31 6.656 3.140 14.520 1.00 0.00 C ATOM 1345 CE LYS B 31 5.813 4.158 15.284 1.00 0.00 C ATOM 1346 NZ LYS B 31 6.486 4.505 16.565 1.00 0.00 N ATOM 0 H LYS B 31 4.964 0.329 11.893 1.00 0.00 H new ATOM 0 HA LYS B 31 5.780 2.752 10.663 1.00 0.00 H new ATOM 0 HB2 LYS B 31 6.987 0.985 12.810 1.00 0.00 H new ATOM 0 HB3 LYS B 31 7.834 2.404 12.225 1.00 0.00 H new ATOM 0 HG2 LYS B 31 5.741 3.774 12.683 1.00 0.00 H new ATOM 0 HG3 LYS B 31 5.009 2.348 13.391 1.00 0.00 H new ATOM 0 HD2 LYS B 31 6.771 2.227 15.104 1.00 0.00 H new ATOM 0 HD3 LYS B 31 7.657 3.533 14.342 1.00 0.00 H new ATOM 0 HE2 LYS B 31 5.673 5.055 14.681 1.00 0.00 H new ATOM 0 HE3 LYS B 31 4.822 3.749 15.482 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 5.910 5.198 17.083 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 6.597 3.647 17.142 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 7.422 4.912 16.366 1.00 0.00 H new ATOM 1360 N GLN B 32 7.484 0.081 9.934 1.00 0.00 N ATOM 1361 CA GLN B 32 8.495 -0.413 9.029 1.00 0.00 C ATOM 1362 C GLN B 32 8.214 0.083 7.610 1.00 0.00 C ATOM 1363 O GLN B 32 9.123 0.524 6.909 1.00 0.00 O ATOM 1364 CB GLN B 32 8.567 -1.947 9.065 1.00 0.00 C ATOM 1365 CG GLN B 32 10.055 -2.433 8.982 1.00 0.00 C ATOM 1366 CD GLN B 32 10.534 -3.110 10.282 1.00 0.00 C ATOM 1367 OE1 GLN B 32 11.337 -3.999 10.026 1.00 0.00 O ATOM 1368 NE2 GLN B 32 9.708 -3.221 11.301 1.00 0.00 N ATOM 0 H GLN B 32 7.036 -0.624 10.520 1.00 0.00 H new ATOM 0 HA GLN B 32 9.463 -0.029 9.350 1.00 0.00 H new ATOM 0 HB2 GLN B 32 8.109 -2.316 9.983 1.00 0.00 H new ATOM 0 HB3 GLN B 32 7.996 -2.363 8.234 1.00 0.00 H new ATOM 0 HG2 GLN B 32 10.158 -3.133 8.153 1.00 0.00 H new ATOM 0 HG3 GLN B 32 10.699 -1.582 8.762 1.00 0.00 H new ATOM 0 HE21 GLN B 32 9.044 -2.473 11.503 1.00 0.00 H new ATOM 0 HE22 GLN B 32 9.732 -4.055 11.888 1.00 0.00 H new ATOM 1377 N TYR B 33 6.962 -0.011 7.179 1.00 0.00 N ATOM 1378 CA TYR B 33 6.623 0.415 5.834 1.00 0.00 C ATOM 1379 C TYR B 33 6.601 1.949 5.691 1.00 0.00 C ATOM 1380 O TYR B 33 7.285 2.488 4.834 1.00 0.00 O ATOM 1381 CB TYR B 33 5.215 -0.100 5.459 1.00 0.00 C ATOM 1382 CG TYR B 33 5.161 -1.617 5.288 1.00 0.00 C ATOM 1383 CD1 TYR B 33 5.559 -2.482 6.331 1.00 0.00 C ATOM 1384 CD2 TYR B 33 4.629 -2.174 4.106 1.00 0.00 C ATOM 1385 CE1 TYR B 33 5.459 -3.877 6.181 1.00 0.00 C ATOM 1386 CE2 TYR B 33 4.530 -3.571 3.957 1.00 0.00 C ATOM 1387 CZ TYR B 33 4.951 -4.424 4.992 1.00 0.00 C ATOM 1388 OH TYR B 33 4.853 -5.791 4.836 1.00 0.00 O ATOM 0 H TYR B 33 6.182 -0.371 7.730 1.00 0.00 H new ATOM 0 HA TYR B 33 7.391 0.006 5.177 1.00 0.00 H new ATOM 0 HB2 TYR B 33 4.507 0.198 6.232 1.00 0.00 H new ATOM 0 HB3 TYR B 33 4.895 0.376 4.532 1.00 0.00 H new ATOM 0 HD1 TYR B 33 5.943 -2.069 7.252 1.00 0.00 H new ATOM 0 HD2 TYR B 33 4.295 -1.525 3.310 1.00 0.00 H new ATOM 0 HE1 TYR B 33 5.774 -4.529 6.982 1.00 0.00 H new ATOM 0 HE2 TYR B 33 4.129 -3.988 3.045 1.00 0.00 H new ATOM 0 HH TYR B 33 4.479 -5.994 3.953 1.00 0.00 H new ATOM 1398 N PHE B 34 5.764 2.638 6.497 1.00 0.00 N ATOM 1399 CA PHE B 34 5.609 4.112 6.339 1.00 0.00 C ATOM 1400 C PHE B 34 6.637 5.005 7.056 1.00 0.00 C ATOM 1401 O PHE B 34 6.265 5.998 7.683 1.00 0.00 O ATOM 1402 CB PHE B 34 4.174 4.553 6.668 1.00 0.00 C ATOM 1403 CG PHE B 34 3.219 3.698 5.864 1.00 0.00 C ATOM 1404 CD1 PHE B 34 3.040 3.980 4.493 1.00 0.00 C ATOM 1405 CD2 PHE B 34 2.576 2.584 6.435 1.00 0.00 C ATOM 1406 CE1 PHE B 34 2.231 3.150 3.699 1.00 0.00 C ATOM 1407 CE2 PHE B 34 1.769 1.752 5.637 1.00 0.00 C ATOM 1408 CZ PHE B 34 1.597 2.035 4.271 1.00 0.00 C ATOM 0 H PHE B 34 5.201 2.222 7.239 1.00 0.00 H new ATOM 0 HA PHE B 34 5.826 4.275 5.283 1.00 0.00 H new ATOM 0 HB2 PHE B 34 3.978 4.442 7.734 1.00 0.00 H new ATOM 0 HB3 PHE B 34 4.036 5.607 6.426 1.00 0.00 H new ATOM 0 HD1 PHE B 34 3.527 4.837 4.052 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.702 2.368 7.486 1.00 0.00 H new ATOM 0 HE1 PHE B 34 2.097 3.369 2.650 1.00 0.00 H new ATOM 0 HE2 PHE B 34 1.281 0.894 6.075 1.00 0.00 H new ATOM 0 HZ PHE B 34 0.977 1.395 3.661 1.00 0.00 H new ATOM 1418 N ASN B 35 7.923 4.647 6.976 1.00 0.00 N ATOM 1419 CA ASN B 35 9.002 5.405 7.616 1.00 0.00 C ATOM 1420 C ASN B 35 9.887 6.110 6.590 1.00 0.00 C ATOM 1421 O ASN B 35 10.722 6.948 6.926 1.00 0.00 O ATOM 1422 CB ASN B 35 9.771 4.373 8.439 1.00 0.00 C ATOM 1423 CG ASN B 35 11.291 4.549 8.526 1.00 0.00 C ATOM 1424 OD1 ASN B 35 11.957 5.271 7.791 1.00 0.00 O ATOM 1425 ND2 ASN B 35 11.740 4.174 9.705 1.00 0.00 N ATOM 0 H ASN B 35 8.244 3.824 6.466 1.00 0.00 H new ATOM 0 HA ASN B 35 8.620 6.210 8.243 1.00 0.00 H new ATOM 0 HB2 ASN B 35 9.370 4.380 9.453 1.00 0.00 H new ATOM 0 HB3 ASN B 35 9.567 3.387 8.023 1.00 0.00 H new ATOM 0 HD21 ASN B 35 12.658 4.484 10.023 1.00 0.00 H new ATOM 0 HD22 ASN B 35 11.170 3.573 10.300 1.00 0.00 H new ATOM 1432 N ASP B 36 9.683 5.773 5.342 1.00 0.00 N ATOM 1433 CA ASP B 36 10.431 6.342 4.247 1.00 0.00 C ATOM 1434 C ASP B 36 9.406 6.407 3.108 1.00 0.00 C ATOM 1435 O ASP B 36 8.554 7.247 3.185 1.00 0.00 O ATOM 1436 CB ASP B 36 11.673 5.450 4.042 1.00 0.00 C ATOM 1437 CG ASP B 36 12.647 6.154 3.121 1.00 0.00 C ATOM 1438 OD1 ASP B 36 12.425 6.095 1.890 1.00 0.00 O ATOM 1439 OD2 ASP B 36 13.201 7.139 3.666 1.00 0.00 O ATOM 0 H ASP B 36 8.985 5.088 5.053 1.00 0.00 H new ATOM 0 HA ASP B 36 10.842 7.344 4.373 1.00 0.00 H new ATOM 0 HB2 ASP B 36 12.147 5.241 5.001 1.00 0.00 H new ATOM 0 HB3 ASP B 36 11.380 4.491 3.616 1.00 0.00 H new ATOM 1444 N ASN B 37 9.509 5.696 2.005 1.00 0.00 N ATOM 1445 CA ASN B 37 8.527 5.827 0.878 1.00 0.00 C ATOM 1446 C ASN B 37 8.107 7.261 0.610 1.00 0.00 C ATOM 1447 O ASN B 37 6.956 7.552 0.306 1.00 0.00 O ATOM 1448 CB ASN B 37 7.263 4.933 1.061 1.00 0.00 C ATOM 1449 CG ASN B 37 7.407 4.161 2.320 1.00 0.00 C ATOM 1450 OD1 ASN B 37 8.373 3.418 2.193 1.00 0.00 O ATOM 1451 ND2 ASN B 37 6.431 3.861 3.149 1.00 0.00 N ATOM 0 H ASN B 37 10.250 5.016 1.837 1.00 0.00 H new ATOM 0 HA ASN B 37 9.073 5.469 0.005 1.00 0.00 H new ATOM 0 HB2 ASN B 37 6.365 5.550 1.096 1.00 0.00 H new ATOM 0 HB3 ASN B 37 7.152 4.257 0.213 1.00 0.00 H new ATOM 0 HD21 ASN B 37 6.473 3.001 3.696 1.00 0.00 H new ATOM 0 HD22 ASN B 37 5.633 4.488 3.245 1.00 0.00 H new ATOM 1458 N GLY B 38 9.051 8.142 0.694 1.00 0.00 N ATOM 1459 CA GLY B 38 8.759 9.543 0.431 1.00 0.00 C ATOM 1460 C GLY B 38 7.523 9.974 1.226 1.00 0.00 C ATOM 1461 O GLY B 38 6.766 10.854 0.803 1.00 0.00 O ATOM 0 H GLY B 38 10.020 7.937 0.937 1.00 0.00 H new ATOM 0 HA2 GLY B 38 9.614 10.160 0.708 1.00 0.00 H new ATOM 0 HA3 GLY B 38 8.588 9.694 -0.635 1.00 0.00 H new ATOM 1465 N VAL B 39 7.335 9.325 2.385 1.00 0.00 N ATOM 1466 CA VAL B 39 6.213 9.624 3.271 1.00 0.00 C ATOM 1467 C VAL B 39 6.705 10.430 4.453 1.00 0.00 C ATOM 1468 O VAL B 39 6.321 11.586 4.632 1.00 0.00 O ATOM 1469 CB VAL B 39 5.586 8.314 3.812 1.00 0.00 C ATOM 1470 CG1 VAL B 39 4.690 8.583 5.049 1.00 0.00 C ATOM 1471 CG2 VAL B 39 4.723 7.656 2.740 1.00 0.00 C ATOM 0 H VAL B 39 7.951 8.588 2.727 1.00 0.00 H new ATOM 0 HA VAL B 39 5.468 10.183 2.705 1.00 0.00 H new ATOM 0 HB VAL B 39 6.410 7.659 4.095 1.00 0.00 H new ATOM 0 HG11 VAL B 39 4.266 7.643 5.403 1.00 0.00 H new ATOM 0 HG12 VAL B 39 5.289 9.032 5.841 1.00 0.00 H new ATOM 0 HG13 VAL B 39 3.884 9.263 4.774 1.00 0.00 H new ATOM 0 HG21 VAL B 39 4.290 6.737 3.135 1.00 0.00 H new ATOM 0 HG22 VAL B 39 3.924 8.337 2.447 1.00 0.00 H new ATOM 0 HG23 VAL B 39 5.338 7.423 1.871 1.00 0.00 H new ATOM 1481 N ASP B 40 7.527 9.777 5.275 1.00 0.00 N ATOM 1482 CA ASP B 40 8.058 10.380 6.495 1.00 0.00 C ATOM 1483 C ASP B 40 6.993 11.287 7.122 1.00 0.00 C ATOM 1484 O ASP B 40 7.296 12.283 7.778 1.00 0.00 O ATOM 1485 CB ASP B 40 9.341 11.173 6.221 1.00 0.00 C ATOM 1486 CG ASP B 40 9.116 12.426 5.376 1.00 0.00 C ATOM 1487 OD1 ASP B 40 8.001 13.003 5.358 1.00 0.00 O ATOM 1488 OD2 ASP B 40 10.113 12.890 4.766 1.00 0.00 O ATOM 0 H ASP B 40 7.841 8.820 5.114 1.00 0.00 H new ATOM 0 HA ASP B 40 8.312 9.580 7.190 1.00 0.00 H new ATOM 0 HB2 ASP B 40 9.790 11.461 7.171 1.00 0.00 H new ATOM 0 HB3 ASP B 40 10.057 10.526 5.714 1.00 0.00 H new ATOM 1493 N GLY B 41 5.740 10.935 6.836 1.00 0.00 N ATOM 1494 CA GLY B 41 4.571 11.682 7.263 1.00 0.00 C ATOM 1495 C GLY B 41 4.445 11.794 8.773 1.00 0.00 C ATOM 1496 O GLY B 41 5.274 11.275 9.521 1.00 0.00 O ATOM 0 H GLY B 41 5.511 10.105 6.290 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.612 12.683 6.834 1.00 0.00 H new ATOM 0 HA3 GLY B 41 3.677 11.201 6.866 1.00 0.00 H new ATOM 1500 N GLU B 42 3.380 12.474 9.213 1.00 0.00 N ATOM 1501 CA GLU B 42 3.130 12.646 10.641 1.00 0.00 C ATOM 1502 C GLU B 42 2.446 11.403 11.184 1.00 0.00 C ATOM 1503 O GLU B 42 1.362 11.025 10.738 1.00 0.00 O ATOM 1504 CB GLU B 42 2.246 13.875 10.906 1.00 0.00 C ATOM 1505 CG GLU B 42 2.422 14.321 12.367 1.00 0.00 C ATOM 1506 CD GLU B 42 3.766 15.032 12.513 1.00 0.00 C ATOM 1507 OE1 GLU B 42 4.419 15.248 11.466 1.00 0.00 O ATOM 1508 OE2 GLU B 42 4.155 15.385 13.647 1.00 0.00 O ATOM 0 H GLU B 42 2.686 12.909 8.605 1.00 0.00 H new ATOM 0 HA GLU B 42 4.086 12.799 11.143 1.00 0.00 H new ATOM 0 HB2 GLU B 42 2.519 14.686 10.231 1.00 0.00 H new ATOM 0 HB3 GLU B 42 1.201 13.635 10.710 1.00 0.00 H new ATOM 0 HG2 GLU B 42 1.610 14.988 12.657 1.00 0.00 H new ATOM 0 HG3 GLU B 42 2.379 13.458 13.032 1.00 0.00 H new ATOM 1515 N TRP B 43 3.108 10.757 12.126 1.00 0.00 N ATOM 1516 CA TRP B 43 2.599 9.526 12.715 1.00 0.00 C ATOM 1517 C TRP B 43 1.548 9.687 13.780 1.00 0.00 C ATOM 1518 O TRP B 43 1.565 10.608 14.597 1.00 0.00 O ATOM 1519 CB TRP B 43 3.753 8.646 13.223 1.00 0.00 C ATOM 1520 CG TRP B 43 3.991 7.632 12.221 1.00 0.00 C ATOM 1521 CD1 TRP B 43 4.498 7.848 10.987 1.00 0.00 C ATOM 1522 CD2 TRP B 43 3.717 6.196 12.287 1.00 0.00 C ATOM 1523 NE1 TRP B 43 4.538 6.664 10.280 1.00 0.00 N ATOM 1524 CE2 TRP B 43 4.052 5.614 11.026 1.00 0.00 C ATOM 1525 CE3 TRP B 43 3.210 5.324 13.278 1.00 0.00 C ATOM 1526 CZ2 TRP B 43 3.881 4.248 10.756 1.00 0.00 C ATOM 1527 CZ3 TRP B 43 3.037 3.951 13.019 1.00 0.00 C ATOM 1528 CH2 TRP B 43 3.362 3.415 11.760 1.00 0.00 C ATOM 0 H TRP B 43 4.005 11.064 12.503 1.00 0.00 H new ATOM 0 HA TRP B 43 2.078 9.034 11.894 1.00 0.00 H new ATOM 0 HB2 TRP B 43 4.650 9.244 13.386 1.00 0.00 H new ATOM 0 HB3 TRP B 43 3.496 8.189 14.179 1.00 0.00 H new ATOM 0 HD1 TRP B 43 4.824 8.806 10.610 1.00 0.00 H new ATOM 0 HE1 TRP B 43 4.884 6.577 9.324 1.00 0.00 H new ATOM 0 HE3 TRP B 43 2.951 5.718 14.250 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 4.145 3.843 9.790 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 2.652 3.304 13.793 1.00 0.00 H new ATOM 0 HH2 TRP B 43 3.212 2.363 11.566 1.00 0.00 H new ATOM 1539 N THR B 44 0.689 8.671 13.790 1.00 0.00 N ATOM 1540 CA THR B 44 -0.356 8.521 14.779 1.00 0.00 C ATOM 1541 C THR B 44 -0.545 7.018 15.024 1.00 0.00 C ATOM 1542 O THR B 44 -0.236 6.204 14.152 1.00 0.00 O ATOM 1543 CB THR B 44 -1.664 9.161 14.302 1.00 0.00 C ATOM 1544 OG1 THR B 44 -1.359 10.284 13.488 1.00 0.00 O ATOM 1545 CG2 THR B 44 -2.486 9.622 15.507 1.00 0.00 C ATOM 0 H THR B 44 0.706 7.922 13.098 1.00 0.00 H new ATOM 0 HA THR B 44 -0.075 9.027 15.702 1.00 0.00 H new ATOM 0 HB THR B 44 -2.239 8.431 13.733 1.00 0.00 H new ATOM 0 HG1 THR B 44 -2.139 10.875 13.440 1.00 0.00 H new ATOM 0 HG21 THR B 44 -3.415 10.076 15.162 1.00 0.00 H new ATOM 0 HG22 THR B 44 -2.715 8.765 16.141 1.00 0.00 H new ATOM 0 HG23 THR B 44 -1.915 10.354 16.079 1.00 0.00 H new ATOM 1553 N TYR B 45 -1.081 6.654 16.176 1.00 0.00 N ATOM 1554 CA TYR B 45 -1.334 5.243 16.474 1.00 0.00 C ATOM 1555 C TYR B 45 -2.516 5.120 17.419 1.00 0.00 C ATOM 1556 O TYR B 45 -2.650 5.901 18.359 1.00 0.00 O ATOM 1557 CB TYR B 45 -0.082 4.588 17.064 1.00 0.00 C ATOM 1558 CG TYR B 45 -0.428 3.286 17.761 1.00 0.00 C ATOM 1559 CD1 TYR B 45 -1.280 2.342 17.157 1.00 0.00 C ATOM 1560 CD2 TYR B 45 0.118 3.012 19.031 1.00 0.00 C ATOM 1561 CE1 TYR B 45 -1.585 1.135 17.811 1.00 0.00 C ATOM 1562 CE2 TYR B 45 -0.185 1.799 19.683 1.00 0.00 C ATOM 1563 CZ TYR B 45 -1.037 0.865 19.075 1.00 0.00 C ATOM 1564 OH TYR B 45 -1.328 -0.327 19.708 1.00 0.00 O ATOM 0 H TYR B 45 -1.349 7.302 16.917 1.00 0.00 H new ATOM 0 HA TYR B 45 -1.578 4.720 15.549 1.00 0.00 H new ATOM 0 HB2 TYR B 45 0.642 4.399 16.271 1.00 0.00 H new ATOM 0 HB3 TYR B 45 0.390 5.269 17.772 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -1.702 2.546 16.184 1.00 0.00 H new ATOM 0 HD2 TYR B 45 0.769 3.732 19.505 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -2.240 0.416 17.341 1.00 0.00 H new ATOM 0 HE2 TYR B 45 0.240 1.588 20.653 1.00 0.00 H new ATOM 0 HH TYR B 45 -1.383 -1.045 19.044 1.00 0.00 H new ATOM 1574 N ASP B 46 -3.324 4.084 17.224 1.00 0.00 N ATOM 1575 CA ASP B 46 -4.438 3.791 18.111 1.00 0.00 C ATOM 1576 C ASP B 46 -4.409 2.292 18.458 1.00 0.00 C ATOM 1577 O ASP B 46 -4.547 1.442 17.576 1.00 0.00 O ATOM 1578 CB ASP B 46 -5.748 4.238 17.441 1.00 0.00 C ATOM 1579 CG ASP B 46 -6.803 3.160 17.561 1.00 0.00 C ATOM 1580 OD1 ASP B 46 -6.919 2.566 18.663 1.00 0.00 O ATOM 1581 OD2 ASP B 46 -7.477 2.834 16.554 1.00 0.00 O ATOM 0 H ASP B 46 -3.224 3.428 16.450 1.00 0.00 H new ATOM 0 HA ASP B 46 -4.362 4.342 19.049 1.00 0.00 H new ATOM 0 HB2 ASP B 46 -6.105 5.157 17.906 1.00 0.00 H new ATOM 0 HB3 ASP B 46 -5.567 4.462 16.390 1.00 0.00 H new ATOM 1586 N ASP B 47 -4.219 1.975 19.722 1.00 0.00 N ATOM 1587 CA ASP B 47 -4.168 0.576 20.142 1.00 0.00 C ATOM 1588 C ASP B 47 -5.567 -0.020 20.365 1.00 0.00 C ATOM 1589 O ASP B 47 -5.921 -1.058 19.800 1.00 0.00 O ATOM 1590 CB ASP B 47 -3.389 0.537 21.453 1.00 0.00 C ATOM 1591 CG ASP B 47 -3.219 -0.876 22.002 1.00 0.00 C ATOM 1592 OD1 ASP B 47 -3.465 -1.880 21.294 1.00 0.00 O ATOM 1593 OD2 ASP B 47 -2.825 -0.976 23.187 1.00 0.00 O ATOM 0 H ASP B 47 -4.098 2.653 20.474 1.00 0.00 H new ATOM 0 HA ASP B 47 -3.694 -0.017 19.360 1.00 0.00 H new ATOM 0 HB2 ASP B 47 -2.406 0.982 21.299 1.00 0.00 H new ATOM 0 HB3 ASP B 47 -3.903 1.149 22.194 1.00 0.00 H new ATOM 1598 N ALA B 48 -6.303 0.614 21.267 1.00 0.00 N ATOM 1599 CA ALA B 48 -7.640 0.154 21.709 1.00 0.00 C ATOM 1600 C ALA B 48 -8.782 0.473 20.756 1.00 0.00 C ATOM 1601 O ALA B 48 -9.924 0.099 21.016 1.00 0.00 O ATOM 1602 CB ALA B 48 -7.969 0.799 23.052 1.00 0.00 C ATOM 0 H ALA B 48 -5.998 1.473 21.726 1.00 0.00 H new ATOM 0 HA ALA B 48 -7.566 -0.932 21.760 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -8.952 0.466 23.385 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -7.219 0.509 23.788 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -7.971 1.884 22.944 1.00 0.00 H new ATOM 1608 N THR B 49 -8.486 1.125 19.658 1.00 0.00 N ATOM 1609 CA THR B 49 -9.510 1.455 18.669 1.00 0.00 C ATOM 1610 C THR B 49 -8.987 1.014 17.312 1.00 0.00 C ATOM 1611 O THR B 49 -9.488 1.406 16.258 1.00 0.00 O ATOM 1612 CB THR B 49 -9.888 2.958 18.712 1.00 0.00 C ATOM 1613 OG1 THR B 49 -9.325 3.643 17.609 1.00 0.00 O ATOM 1614 CG2 THR B 49 -9.392 3.600 20.016 1.00 0.00 C ATOM 0 H THR B 49 -7.547 1.442 19.417 1.00 0.00 H new ATOM 0 HA THR B 49 -10.439 0.929 18.888 1.00 0.00 H new ATOM 0 HB THR B 49 -10.974 3.034 18.665 1.00 0.00 H new ATOM 0 HG1 THR B 49 -8.989 2.993 16.957 1.00 0.00 H new ATOM 0 HG21 THR B 49 -9.666 4.655 20.029 1.00 0.00 H new ATOM 0 HG22 THR B 49 -9.850 3.095 20.867 1.00 0.00 H new ATOM 0 HG23 THR B 49 -8.308 3.506 20.079 1.00 0.00 H new ATOM 1622 N LYS B 50 -7.938 0.183 17.381 1.00 0.00 N ATOM 1623 CA LYS B 50 -7.266 -0.367 16.208 1.00 0.00 C ATOM 1624 C LYS B 50 -7.230 0.638 15.074 1.00 0.00 C ATOM 1625 O LYS B 50 -8.044 0.580 14.152 1.00 0.00 O ATOM 1626 CB LYS B 50 -7.921 -1.692 15.735 1.00 0.00 C ATOM 1627 CG LYS B 50 -9.395 -1.810 16.172 1.00 0.00 C ATOM 1628 CD LYS B 50 -9.502 -2.160 17.679 1.00 0.00 C ATOM 1629 CE LYS B 50 -10.746 -3.020 17.922 1.00 0.00 C ATOM 1630 NZ LYS B 50 -11.949 -2.289 17.437 1.00 0.00 N ATOM 0 H LYS B 50 -7.532 -0.126 18.264 1.00 0.00 H new ATOM 0 HA LYS B 50 -6.241 -0.589 16.505 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -7.861 -1.756 14.649 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -7.358 -2.535 16.135 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -9.912 -0.871 15.976 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -9.893 -2.578 15.580 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -8.609 -2.695 18.002 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -9.558 -1.247 18.271 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -10.651 -3.973 17.402 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -10.846 -3.245 18.984 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -12.803 -2.706 17.860 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -11.881 -1.288 17.711 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -12.005 -2.361 16.401 1.00 0.00 H new ATOM 1644 N THR B 51 -6.250 1.534 15.123 1.00 0.00 N ATOM 1645 CA THR B 51 -6.099 2.507 14.039 1.00 0.00 C ATOM 1646 C THR B 51 -4.699 3.149 13.979 1.00 0.00 C ATOM 1647 O THR B 51 -3.986 3.232 14.982 1.00 0.00 O ATOM 1648 CB THR B 51 -7.215 3.550 14.084 1.00 0.00 C ATOM 1649 OG1 THR B 51 -8.432 2.907 14.421 1.00 0.00 O ATOM 1650 CG2 THR B 51 -7.375 4.215 12.715 1.00 0.00 C ATOM 0 H THR B 51 -5.566 1.610 15.876 1.00 0.00 H new ATOM 0 HA THR B 51 -6.195 1.952 13.106 1.00 0.00 H new ATOM 0 HB THR B 51 -6.963 4.308 14.825 1.00 0.00 H new ATOM 0 HG1 THR B 51 -8.428 2.678 15.374 1.00 0.00 H new ATOM 0 HG21 THR B 51 -8.173 4.956 12.761 1.00 0.00 H new ATOM 0 HG22 THR B 51 -6.442 4.704 12.437 1.00 0.00 H new ATOM 0 HG23 THR B 51 -7.624 3.459 11.970 1.00 0.00 H new ATOM 1658 N PHE B 52 -4.363 3.647 12.787 1.00 0.00 N ATOM 1659 CA PHE B 52 -3.103 4.366 12.526 1.00 0.00 C ATOM 1660 C PHE B 52 -3.393 5.519 11.595 1.00 0.00 C ATOM 1661 O PHE B 52 -4.324 5.438 10.796 1.00 0.00 O ATOM 1662 CB PHE B 52 -2.009 3.501 11.894 1.00 0.00 C ATOM 1663 CG PHE B 52 -1.491 2.540 12.907 1.00 0.00 C ATOM 1664 CD1 PHE B 52 -2.268 1.425 13.280 1.00 0.00 C ATOM 1665 CD2 PHE B 52 -0.222 2.732 13.481 1.00 0.00 C ATOM 1666 CE1 PHE B 52 -1.786 0.517 14.239 1.00 0.00 C ATOM 1667 CE2 PHE B 52 0.256 1.829 14.444 1.00 0.00 C ATOM 1668 CZ PHE B 52 -0.530 0.731 14.831 1.00 0.00 C ATOM 0 H PHE B 52 -4.960 3.564 11.964 1.00 0.00 H new ATOM 0 HA PHE B 52 -2.725 4.695 13.494 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -2.408 2.961 11.035 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -1.199 4.131 11.527 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -3.236 1.268 12.828 1.00 0.00 H new ATOM 0 HD2 PHE B 52 0.385 3.574 13.181 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -2.379 -0.341 14.519 1.00 0.00 H new ATOM 0 HE2 PHE B 52 1.229 1.979 14.888 1.00 0.00 H new ATOM 0 HZ PHE B 52 -0.168 0.049 15.586 1.00 0.00 H new ATOM 1678 N THR B 53 -2.573 6.559 11.641 1.00 0.00 N ATOM 1679 CA THR B 53 -2.755 7.673 10.710 1.00 0.00 C ATOM 1680 C THR B 53 -1.401 8.112 10.162 1.00 0.00 C ATOM 1681 O THR B 53 -0.574 8.695 10.865 1.00 0.00 O ATOM 1682 CB THR B 53 -3.492 8.844 11.394 1.00 0.00 C ATOM 1683 OG1 THR B 53 -4.349 8.323 12.405 1.00 0.00 O ATOM 1684 CG2 THR B 53 -4.334 9.617 10.363 1.00 0.00 C ATOM 0 H THR B 53 -1.794 6.659 12.292 1.00 0.00 H new ATOM 0 HA THR B 53 -3.374 7.343 9.876 1.00 0.00 H new ATOM 0 HB THR B 53 -2.760 9.522 11.833 1.00 0.00 H new ATOM 0 HG1 THR B 53 -4.820 9.060 12.846 1.00 0.00 H new ATOM 0 HG21 THR B 53 -4.849 10.440 10.858 1.00 0.00 H new ATOM 0 HG22 THR B 53 -3.682 10.012 9.584 1.00 0.00 H new ATOM 0 HG23 THR B 53 -5.068 8.946 9.916 1.00 0.00 H new ATOM 1692 N VAL B 54 -1.210 7.831 8.880 1.00 0.00 N ATOM 1693 CA VAL B 54 0.014 8.195 8.182 1.00 0.00 C ATOM 1694 C VAL B 54 -0.304 9.485 7.497 1.00 0.00 C ATOM 1695 O VAL B 54 -1.304 9.569 6.821 1.00 0.00 O ATOM 1696 CB VAL B 54 0.425 7.118 7.173 1.00 0.00 C ATOM 1697 CG1 VAL B 54 1.551 7.640 6.279 1.00 0.00 C ATOM 1698 CG2 VAL B 54 0.913 5.884 7.934 1.00 0.00 C ATOM 0 H VAL B 54 -1.895 7.348 8.299 1.00 0.00 H new ATOM 0 HA VAL B 54 0.857 8.292 8.866 1.00 0.00 H new ATOM 0 HB VAL B 54 -0.432 6.859 6.551 1.00 0.00 H new ATOM 0 HG11 VAL B 54 1.837 6.867 5.565 1.00 0.00 H new ATOM 0 HG12 VAL B 54 1.208 8.523 5.740 1.00 0.00 H new ATOM 0 HG13 VAL B 54 2.412 7.902 6.894 1.00 0.00 H new ATOM 0 HG21 VAL B 54 1.208 5.112 7.224 1.00 0.00 H new ATOM 0 HG22 VAL B 54 1.769 6.153 8.553 1.00 0.00 H new ATOM 0 HG23 VAL B 54 0.111 5.507 8.568 1.00 0.00 H new ATOM 1708 N THR B 55 0.557 10.466 7.619 1.00 0.00 N ATOM 1709 CA THR B 55 0.279 11.743 6.949 1.00 0.00 C ATOM 1710 C THR B 55 1.489 12.390 6.306 1.00 0.00 C ATOM 1711 O THR B 55 2.318 13.019 6.960 1.00 0.00 O ATOM 1712 CB THR B 55 -0.353 12.693 7.968 1.00 0.00 C ATOM 1713 OG1 THR B 55 -1.208 11.947 8.824 1.00 0.00 O ATOM 1714 CG2 THR B 55 -1.173 13.763 7.241 1.00 0.00 C ATOM 0 H THR B 55 1.427 10.425 8.150 1.00 0.00 H new ATOM 0 HA THR B 55 -0.401 11.532 6.123 1.00 0.00 H new ATOM 0 HB THR B 55 0.431 13.177 8.551 1.00 0.00 H new ATOM 0 HG1 THR B 55 -2.131 12.012 8.502 1.00 0.00 H new ATOM 0 HG21 THR B 55 -1.621 14.437 7.971 1.00 0.00 H new ATOM 0 HG22 THR B 55 -0.522 14.330 6.575 1.00 0.00 H new ATOM 0 HG23 THR B 55 -1.960 13.285 6.658 1.00 0.00 H new ATOM 1722 N GLU B 56 1.525 12.245 4.994 1.00 0.00 N ATOM 1723 CA GLU B 56 2.591 12.826 4.195 1.00 0.00 C ATOM 1724 C GLU B 56 2.816 14.264 4.641 1.00 0.00 C ATOM 1725 O GLU B 56 2.035 15.115 4.245 1.00 0.00 O ATOM 1726 CB GLU B 56 2.223 12.794 2.708 1.00 0.00 C ATOM 1727 CG GLU B 56 3.478 12.993 1.852 1.00 0.00 C ATOM 1728 CD GLU B 56 4.092 14.362 2.127 1.00 0.00 C ATOM 1729 OE1 GLU B 56 3.669 15.346 1.481 1.00 0.00 O ATOM 1730 OE2 GLU B 56 4.969 14.456 3.012 1.00 0.00 O ATOM 1731 OXT GLU B 56 3.753 14.491 5.384 1.00 0.00 O ATOM 0 H GLU B 56 0.828 11.729 4.457 1.00 0.00 H new ATOM 0 HA GLU B 56 3.504 12.247 4.336 1.00 0.00 H new ATOM 0 HB2 GLU B 56 1.752 11.842 2.462 1.00 0.00 H new ATOM 0 HB3 GLU B 56 1.495 13.575 2.488 1.00 0.00 H new ATOM 0 HG2 GLU B 56 4.204 12.210 2.071 1.00 0.00 H new ATOM 0 HG3 GLU B 56 3.224 12.906 0.796 1.00 0.00 H new TER 1738 GLU B 56