USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=42 USER MOD reduce.3.24.130724 removed 819 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 98 SER OG : rot 82:sc= 0.826 USER MOD Set 1.2: A 99 ASN : amide:sc= 0.62 K(o=1.4,f=-5.3!) USER MOD Set 2.1: A 88 CYS SG : rot 180:sc= -0.876 USER MOD Set 2.2: A 95 SER OG : rot -144:sc= 0.133 USER MOD Set 3.1: A 39 THR OG1 : rot 180:sc= -0.861 USER MOD Set 3.2: A 90 ASN : amide:sc= -3.79! C(o=-4.7!,f=-14!) USER MOD Set 4.1: A 45 TYR OH : rot 112:sc= 0.111 USER MOD Set 4.2: A 61 LYS NZ :NH3+ 151:sc= 0.656 (180deg=0.225) USER MOD Set 5.1: A 31 TYR OH : rot -39:sc= -2.16! USER MOD Set 5.2: A 36 ASN : amide:sc= -2.73! C(o=-4.9!,f=-9.4!) USER MOD Set 6.1: A 17 THR OG1 : rot 160:sc= 0 USER MOD Set 6.2: A 101 MET CE :methyl -121:sc= -0.0906 (180deg=-0.435) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.00369 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.81 K(o=-1.8,f=-3.9!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 136:sc= -0.762 (180deg=-1.12) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 MET CE :methyl -130:sc= -0.167 (180deg=-4.01!) USER MOD Single : A 35 SER OG : rot 66:sc= 1.1 USER MOD Single : A 37 ASN : amide:sc= -0.0472 K(o=-0.047,f=-1.4!) USER MOD Single : A 38 ASN : amide:sc= -0.495 K(o=-0.5,f=-2.9!) USER MOD Single : A 42 HIS : no HE2:sc= -0.991 K(o=-0.99,f=-2!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 40:sc= -0.719! USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -33:sc= -1.32 USER MOD Single : A 55 ASN : amide:sc= -3.63! C(o=-3.6!,f=-6.5!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.0605 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 130:sc= 0 USER MOD Single : A 71 HIS :FLIP no HD1:sc= -0.267 F(o=-0.8,f=-0.27) USER MOD Single : A 72 SER OG : rot 41:sc= 0.837 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS :FLIP no HD1:sc= -0.0174 F(o=-0.53,f=-0.017) USER MOD Single : A 77 GLN : amide:sc= -0.913! C(o=-0.91!,f=-6.7!) USER MOD Single : A 80 THR OG1 : rot 67:sc= 0.11 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -177:sc= -5.54! USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl -146:sc= -0.642 (180deg=-2.88!) USER MOD Single : A 87 GLN : amide:sc= -3.92! C(o=-3.9!,f=-4.6!) USER MOD Single : A 103 CYS SG : rot 180:sc= -0.754 USER MOD Single : A 105 THR OG1 : rot -155:sc= 2.25 USER MOD Single : A 106 LYS NZ :NH3+ -137:sc= 1 (180deg=-1.29!) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 33:sc= 0.353 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 26.494 21.823 -13.325 1.00 0.00 N ATOM 2 CA GLY A 1 25.821 20.563 -13.583 1.00 0.00 C ATOM 3 C GLY A 1 24.341 20.620 -13.261 1.00 0.00 C ATOM 4 O GLY A 1 23.602 21.414 -13.845 1.00 0.00 O ATOM 0 H1 GLY A 1 27.503 21.732 -13.561 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.068 22.570 -13.909 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.394 22.070 -12.320 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.952 20.293 -14.631 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.289 19.777 -12.990 1.00 0.00 H new ATOM 8 N SER A 2 23.906 19.775 -12.332 1.00 0.00 N ATOM 9 CA SER A 2 22.502 19.729 -11.938 1.00 0.00 C ATOM 10 C SER A 2 22.362 19.316 -10.476 1.00 0.00 C ATOM 11 O SER A 2 23.282 18.746 -9.889 1.00 0.00 O ATOM 12 CB SER A 2 21.732 18.754 -12.831 1.00 0.00 C ATOM 13 OG SER A 2 21.673 19.224 -14.167 1.00 0.00 O ATOM 0 H SER A 2 24.505 19.113 -11.838 1.00 0.00 H new ATOM 0 HA SER A 2 22.083 20.728 -12.057 1.00 0.00 H new ATOM 0 HB2 SER A 2 22.213 17.776 -12.807 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.722 18.622 -12.444 1.00 0.00 H new ATOM 0 HG SER A 2 21.177 18.583 -14.718 1.00 0.00 H new ATOM 19 N SER A 3 21.204 19.609 -9.894 1.00 0.00 N ATOM 20 CA SER A 3 20.943 19.272 -8.499 1.00 0.00 C ATOM 21 C SER A 3 20.222 17.932 -8.389 1.00 0.00 C ATOM 22 O SER A 3 20.566 17.096 -7.556 1.00 0.00 O ATOM 23 CB SER A 3 20.107 20.369 -7.835 1.00 0.00 C ATOM 24 OG SER A 3 18.958 20.672 -8.607 1.00 0.00 O ATOM 0 H SER A 3 20.432 20.079 -10.366 1.00 0.00 H new ATOM 0 HA SER A 3 21.901 19.193 -7.985 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.805 20.047 -6.838 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.712 21.267 -7.710 1.00 0.00 H new ATOM 0 HG SER A 3 18.440 21.374 -8.161 1.00 0.00 H new ATOM 30 N GLY A 4 19.218 17.736 -9.239 1.00 0.00 N ATOM 31 CA GLY A 4 18.463 16.496 -9.221 1.00 0.00 C ATOM 32 C GLY A 4 17.026 16.686 -9.665 1.00 0.00 C ATOM 33 O GLY A 4 16.188 17.153 -8.894 1.00 0.00 O ATOM 0 H GLY A 4 18.914 18.413 -9.939 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.948 15.769 -9.872 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.477 16.080 -8.213 1.00 0.00 H new ATOM 37 N SER A 5 16.741 16.324 -10.912 1.00 0.00 N ATOM 38 CA SER A 5 15.396 16.462 -11.459 1.00 0.00 C ATOM 39 C SER A 5 14.501 15.316 -10.996 1.00 0.00 C ATOM 40 O SER A 5 13.453 15.538 -10.391 1.00 0.00 O ATOM 41 CB SER A 5 15.446 16.500 -12.988 1.00 0.00 C ATOM 42 OG SER A 5 15.649 17.821 -13.458 1.00 0.00 O ATOM 0 H SER A 5 17.423 15.933 -11.562 1.00 0.00 H new ATOM 0 HA SER A 5 14.976 17.399 -11.093 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.250 15.856 -13.345 1.00 0.00 H new ATOM 0 HB3 SER A 5 14.516 16.104 -13.396 1.00 0.00 H new ATOM 0 HG SER A 5 15.679 17.819 -14.438 1.00 0.00 H new ATOM 48 N SER A 6 14.924 14.090 -11.287 1.00 0.00 N ATOM 49 CA SER A 6 14.160 12.908 -10.904 1.00 0.00 C ATOM 50 C SER A 6 13.575 13.068 -9.504 1.00 0.00 C ATOM 51 O SER A 6 14.219 13.612 -8.609 1.00 0.00 O ATOM 52 CB SER A 6 15.046 11.662 -10.960 1.00 0.00 C ATOM 53 OG SER A 6 15.231 11.227 -12.296 1.00 0.00 O ATOM 0 H SER A 6 15.791 13.889 -11.786 1.00 0.00 H new ATOM 0 HA SER A 6 13.338 12.793 -11.611 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.014 11.879 -10.508 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.593 10.863 -10.374 1.00 0.00 H new ATOM 0 HG SER A 6 15.802 10.431 -12.305 1.00 0.00 H new ATOM 59 N GLY A 7 12.348 12.589 -9.324 1.00 0.00 N ATOM 60 CA GLY A 7 11.695 12.689 -8.031 1.00 0.00 C ATOM 61 C GLY A 7 12.241 11.692 -7.028 1.00 0.00 C ATOM 62 O GLY A 7 13.378 11.232 -7.134 1.00 0.00 O ATOM 0 H GLY A 7 11.794 12.134 -10.050 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.821 13.699 -7.641 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.624 12.526 -8.154 1.00 0.00 H new ATOM 66 N PRO A 8 11.420 11.345 -6.026 1.00 0.00 N ATOM 67 CA PRO A 8 11.806 10.394 -4.980 1.00 0.00 C ATOM 68 C PRO A 8 11.924 8.968 -5.507 1.00 0.00 C ATOM 69 O PRO A 8 11.188 8.566 -6.409 1.00 0.00 O ATOM 70 CB PRO A 8 10.662 10.497 -3.967 1.00 0.00 C ATOM 71 CG PRO A 8 9.492 10.963 -4.764 1.00 0.00 C ATOM 72 CD PRO A 8 10.051 11.854 -5.838 1.00 0.00 C ATOM 0 HA PRO A 8 12.786 10.624 -4.562 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.462 9.535 -3.496 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.902 11.199 -3.168 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.954 10.120 -5.197 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.784 11.505 -4.137 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.469 11.789 -6.757 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.050 12.900 -5.533 1.00 0.00 H new ATOM 80 N VAL A 9 12.854 8.207 -4.939 1.00 0.00 N ATOM 81 CA VAL A 9 13.067 6.825 -5.351 1.00 0.00 C ATOM 82 C VAL A 9 13.092 5.890 -4.147 1.00 0.00 C ATOM 83 O VAL A 9 12.553 4.785 -4.195 1.00 0.00 O ATOM 84 CB VAL A 9 14.383 6.669 -6.136 1.00 0.00 C ATOM 85 CG1 VAL A 9 14.288 7.371 -7.482 1.00 0.00 C ATOM 86 CG2 VAL A 9 15.552 7.208 -5.325 1.00 0.00 C ATOM 0 H VAL A 9 13.472 8.524 -4.192 1.00 0.00 H new ATOM 0 HA VAL A 9 12.233 6.556 -5.999 1.00 0.00 H new ATOM 0 HB VAL A 9 14.555 5.608 -6.318 1.00 0.00 H new ATOM 0 HG11 VAL A 9 15.227 7.250 -8.022 1.00 0.00 H new ATOM 0 HG12 VAL A 9 13.476 6.935 -8.063 1.00 0.00 H new ATOM 0 HG13 VAL A 9 14.093 8.432 -7.326 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.474 7.090 -5.894 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.390 8.264 -5.111 1.00 0.00 H new ATOM 0 HG23 VAL A 9 15.630 6.656 -4.388 1.00 0.00 H new ATOM 96 N ALA A 10 13.722 6.342 -3.068 1.00 0.00 N ATOM 97 CA ALA A 10 13.816 5.547 -1.849 1.00 0.00 C ATOM 98 C ALA A 10 12.521 4.786 -1.589 1.00 0.00 C ATOM 99 O ALA A 10 12.540 3.652 -1.112 1.00 0.00 O ATOM 100 CB ALA A 10 14.154 6.437 -0.663 1.00 0.00 C ATOM 0 H ALA A 10 14.175 7.254 -3.013 1.00 0.00 H new ATOM 0 HA ALA A 10 14.615 4.818 -1.981 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.221 5.830 0.240 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.109 6.931 -0.840 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.374 7.188 -0.538 1.00 0.00 H new ATOM 106 N GLY A 11 11.394 5.417 -1.906 1.00 0.00 N ATOM 107 CA GLY A 11 10.105 4.784 -1.699 1.00 0.00 C ATOM 108 C GLY A 11 9.848 4.456 -0.241 1.00 0.00 C ATOM 109 O GLY A 11 10.773 4.232 0.539 1.00 0.00 O ATOM 0 H GLY A 11 11.351 6.356 -2.303 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.317 5.443 -2.064 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.054 3.869 -2.289 1.00 0.00 H new ATOM 113 N PRO A 12 8.564 4.427 0.145 1.00 0.00 N ATOM 114 CA PRO A 12 8.158 4.126 1.521 1.00 0.00 C ATOM 115 C PRO A 12 8.405 2.668 1.893 1.00 0.00 C ATOM 116 O PRO A 12 8.595 1.819 1.022 1.00 0.00 O ATOM 117 CB PRO A 12 6.658 4.431 1.524 1.00 0.00 C ATOM 118 CG PRO A 12 6.235 4.260 0.106 1.00 0.00 C ATOM 119 CD PRO A 12 7.409 4.684 -0.732 1.00 0.00 C ATOM 0 HA PRO A 12 8.726 4.705 2.249 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.117 3.752 2.183 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.460 5.443 1.877 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.964 3.224 -0.098 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.358 4.868 -0.115 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.471 4.110 -1.657 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.344 5.735 -1.013 1.00 0.00 H new ATOM 127 N TYR A 13 8.402 2.384 3.191 1.00 0.00 N ATOM 128 CA TYR A 13 8.627 1.028 3.677 1.00 0.00 C ATOM 129 C TYR A 13 7.541 0.617 4.666 1.00 0.00 C ATOM 130 O TYR A 13 7.471 1.138 5.780 1.00 0.00 O ATOM 131 CB TYR A 13 10.002 0.924 4.340 1.00 0.00 C ATOM 132 CG TYR A 13 10.160 -0.295 5.219 1.00 0.00 C ATOM 133 CD1 TYR A 13 9.716 -1.542 4.797 1.00 0.00 C ATOM 134 CD2 TYR A 13 10.751 -0.201 6.473 1.00 0.00 C ATOM 135 CE1 TYR A 13 9.857 -2.660 5.597 1.00 0.00 C ATOM 136 CE2 TYR A 13 10.898 -1.313 7.279 1.00 0.00 C ATOM 137 CZ TYR A 13 10.449 -2.540 6.837 1.00 0.00 C ATOM 138 OH TYR A 13 10.592 -3.650 7.638 1.00 0.00 O ATOM 0 H TYR A 13 8.246 3.075 3.925 1.00 0.00 H new ATOM 0 HA TYR A 13 8.590 0.352 2.823 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.769 0.905 3.566 1.00 0.00 H new ATOM 0 HB3 TYR A 13 10.176 1.818 4.939 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.252 -1.639 3.826 1.00 0.00 H new ATOM 0 HD2 TYR A 13 11.102 0.758 6.824 1.00 0.00 H new ATOM 0 HE1 TYR A 13 9.506 -3.622 5.253 1.00 0.00 H new ATOM 0 HE2 TYR A 13 11.362 -1.222 8.250 1.00 0.00 H new ATOM 0 HH TYR A 13 11.029 -3.394 8.477 1.00 0.00 H new ATOM 148 N ILE A 14 6.697 -0.322 4.251 1.00 0.00 N ATOM 149 CA ILE A 14 5.616 -0.806 5.100 1.00 0.00 C ATOM 150 C ILE A 14 6.161 -1.552 6.313 1.00 0.00 C ATOM 151 O ILE A 14 6.789 -2.603 6.180 1.00 0.00 O ATOM 152 CB ILE A 14 4.664 -1.736 4.324 1.00 0.00 C ATOM 153 CG1 ILE A 14 4.160 -1.043 3.057 1.00 0.00 C ATOM 154 CG2 ILE A 14 3.497 -2.154 5.206 1.00 0.00 C ATOM 155 CD1 ILE A 14 3.816 -2.004 1.940 1.00 0.00 C ATOM 0 H ILE A 14 6.741 -0.762 3.332 1.00 0.00 H new ATOM 0 HA ILE A 14 5.061 0.071 5.435 1.00 0.00 H new ATOM 0 HB ILE A 14 5.212 -2.632 4.032 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.277 -0.452 3.302 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.922 -0.347 2.705 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.833 -2.811 4.644 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.874 -2.682 6.082 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.947 -1.269 5.525 1.00 0.00 H new ATOM 0 HD11 ILE A 14 3.466 -1.444 1.073 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.702 -2.577 1.668 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.032 -2.684 2.274 1.00 0.00 H new ATOM 167 N THR A 15 5.915 -1.002 7.499 1.00 0.00 N ATOM 168 CA THR A 15 6.380 -1.615 8.736 1.00 0.00 C ATOM 169 C THR A 15 5.210 -2.101 9.583 1.00 0.00 C ATOM 170 O THR A 15 5.382 -2.474 10.744 1.00 0.00 O ATOM 171 CB THR A 15 7.226 -0.632 9.567 1.00 0.00 C ATOM 172 OG1 THR A 15 6.372 0.286 10.259 1.00 0.00 O ATOM 173 CG2 THR A 15 8.191 0.138 8.677 1.00 0.00 C ATOM 0 H THR A 15 5.396 -0.133 7.628 1.00 0.00 H new ATOM 0 HA THR A 15 6.999 -2.467 8.453 1.00 0.00 H new ATOM 0 HB THR A 15 7.804 -1.207 10.291 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.918 0.906 10.786 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.778 0.826 9.286 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.859 -0.561 8.174 1.00 0.00 H new ATOM 0 HG23 THR A 15 7.629 0.702 7.933 1.00 0.00 H new ATOM 181 N PHE A 16 4.018 -2.095 8.995 1.00 0.00 N ATOM 182 CA PHE A 16 2.817 -2.536 9.696 1.00 0.00 C ATOM 183 C PHE A 16 1.748 -2.994 8.709 1.00 0.00 C ATOM 184 O PHE A 16 1.391 -2.269 7.780 1.00 0.00 O ATOM 185 CB PHE A 16 2.269 -1.407 10.571 1.00 0.00 C ATOM 186 CG PHE A 16 1.404 -1.889 11.700 1.00 0.00 C ATOM 187 CD1 PHE A 16 0.053 -2.123 11.504 1.00 0.00 C ATOM 188 CD2 PHE A 16 1.943 -2.110 12.958 1.00 0.00 C ATOM 189 CE1 PHE A 16 -0.745 -2.567 12.542 1.00 0.00 C ATOM 190 CE2 PHE A 16 1.150 -2.554 13.999 1.00 0.00 C ATOM 191 CZ PHE A 16 -0.196 -2.783 13.791 1.00 0.00 C ATOM 0 H PHE A 16 3.858 -1.790 8.035 1.00 0.00 H new ATOM 0 HA PHE A 16 3.086 -3.381 10.330 1.00 0.00 H new ATOM 0 HB2 PHE A 16 3.104 -0.838 10.981 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.692 -0.723 9.948 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.382 -1.957 10.530 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.995 -1.933 13.126 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.797 -2.745 12.376 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.582 -2.722 14.974 1.00 0.00 H new ATOM 0 HZ PHE A 16 -0.818 -3.130 14.603 1.00 0.00 H new ATOM 201 N THR A 17 1.240 -4.205 8.916 1.00 0.00 N ATOM 202 CA THR A 17 0.214 -4.763 8.045 1.00 0.00 C ATOM 203 C THR A 17 -0.762 -5.632 8.830 1.00 0.00 C ATOM 204 O THR A 17 -0.400 -6.704 9.316 1.00 0.00 O ATOM 205 CB THR A 17 0.834 -5.602 6.912 1.00 0.00 C ATOM 206 OG1 THR A 17 2.032 -6.237 7.372 1.00 0.00 O ATOM 207 CG2 THR A 17 1.146 -4.733 5.703 1.00 0.00 C ATOM 0 H THR A 17 1.523 -4.818 9.680 1.00 0.00 H new ATOM 0 HA THR A 17 -0.323 -3.920 7.611 1.00 0.00 H new ATOM 0 HB THR A 17 0.111 -6.362 6.616 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.244 -6.997 6.790 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.583 -5.348 4.916 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.227 -4.275 5.337 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.852 -3.953 5.988 1.00 0.00 H new ATOM 215 N ASP A 18 -1.999 -5.164 8.951 1.00 0.00 N ATOM 216 CA ASP A 18 -3.028 -5.900 9.676 1.00 0.00 C ATOM 217 C ASP A 18 -4.373 -5.800 8.963 1.00 0.00 C ATOM 218 O ASP A 18 -4.681 -4.786 8.339 1.00 0.00 O ATOM 219 CB ASP A 18 -3.153 -5.369 11.105 1.00 0.00 C ATOM 220 CG ASP A 18 -3.661 -6.421 12.071 1.00 0.00 C ATOM 221 OD1 ASP A 18 -4.413 -7.317 11.632 1.00 0.00 O ATOM 222 OD2 ASP A 18 -3.307 -6.349 13.266 1.00 0.00 O ATOM 0 H ASP A 18 -2.314 -4.278 8.556 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.733 -6.949 9.711 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -2.181 -5.009 11.442 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.830 -4.514 11.114 1.00 0.00 H new ATOM 227 N ALA A 19 -5.168 -6.860 9.060 1.00 0.00 N ATOM 228 CA ALA A 19 -6.480 -6.892 8.425 1.00 0.00 C ATOM 229 C ALA A 19 -7.547 -6.304 9.341 1.00 0.00 C ATOM 230 O ALA A 19 -7.768 -6.794 10.449 1.00 0.00 O ATOM 231 CB ALA A 19 -6.843 -8.316 8.034 1.00 0.00 C ATOM 0 H ALA A 19 -4.927 -7.708 9.572 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.435 -6.281 7.524 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.825 -8.324 7.561 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.101 -8.702 7.335 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.864 -8.944 8.925 1.00 0.00 H new ATOM 237 N VAL A 20 -8.208 -5.249 8.873 1.00 0.00 N ATOM 238 CA VAL A 20 -9.253 -4.594 9.650 1.00 0.00 C ATOM 239 C VAL A 20 -10.558 -5.380 9.588 1.00 0.00 C ATOM 240 O VAL A 20 -11.405 -5.266 10.473 1.00 0.00 O ATOM 241 CB VAL A 20 -9.506 -3.159 9.153 1.00 0.00 C ATOM 242 CG1 VAL A 20 -10.470 -2.435 10.081 1.00 0.00 C ATOM 243 CG2 VAL A 20 -8.195 -2.397 9.034 1.00 0.00 C ATOM 0 H VAL A 20 -8.038 -4.830 7.959 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.904 -4.556 10.682 1.00 0.00 H new ATOM 0 HB VAL A 20 -9.961 -3.211 8.164 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.637 -1.422 9.714 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.419 -2.971 10.111 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.046 -2.392 11.084 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.393 -1.385 8.681 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.710 -2.353 10.009 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -7.541 -2.906 8.326 1.00 0.00 H new ATOM 253 N ASN A 21 -10.713 -6.177 8.536 1.00 0.00 N ATOM 254 CA ASN A 21 -11.916 -6.983 8.358 1.00 0.00 C ATOM 255 C ASN A 21 -11.708 -8.037 7.275 1.00 0.00 C ATOM 256 O ASN A 21 -10.618 -8.164 6.719 1.00 0.00 O ATOM 257 CB ASN A 21 -13.103 -6.089 7.995 1.00 0.00 C ATOM 258 CG ASN A 21 -13.825 -5.561 9.219 1.00 0.00 C ATOM 259 OD1 ASN A 21 -13.815 -6.188 10.278 1.00 0.00 O ATOM 260 ND2 ASN A 21 -14.457 -4.401 9.079 1.00 0.00 N ATOM 0 H ASN A 21 -10.021 -6.282 7.794 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.127 -7.491 9.299 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -12.752 -5.250 7.394 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.803 -6.652 7.378 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -14.960 -3.996 9.868 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.439 -3.915 8.182 1.00 0.00 H new ATOM 267 N GLU A 22 -12.763 -8.791 6.981 1.00 0.00 N ATOM 268 CA GLU A 22 -12.696 -9.835 5.965 1.00 0.00 C ATOM 269 C GLU A 22 -12.638 -9.229 4.566 1.00 0.00 C ATOM 270 O GLU A 22 -12.346 -9.920 3.589 1.00 0.00 O ATOM 271 CB GLU A 22 -13.904 -10.767 6.079 1.00 0.00 C ATOM 272 CG GLU A 22 -15.173 -10.198 5.466 1.00 0.00 C ATOM 273 CD GLU A 22 -16.430 -10.783 6.079 1.00 0.00 C ATOM 274 OE1 GLU A 22 -16.465 -10.949 7.316 1.00 0.00 O ATOM 275 OE2 GLU A 22 -17.379 -11.075 5.321 1.00 0.00 O ATOM 0 H GLU A 22 -13.673 -8.698 7.432 1.00 0.00 H new ATOM 0 HA GLU A 22 -11.785 -10.410 6.131 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.669 -11.714 5.593 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.085 -10.986 7.131 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -15.180 -9.116 5.595 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.172 -10.392 4.393 1.00 0.00 H new ATOM 282 N THR A 23 -12.919 -7.933 4.476 1.00 0.00 N ATOM 283 CA THR A 23 -12.901 -7.233 3.198 1.00 0.00 C ATOM 284 C THR A 23 -12.147 -5.913 3.305 1.00 0.00 C ATOM 285 O THR A 23 -12.150 -5.106 2.374 1.00 0.00 O ATOM 286 CB THR A 23 -14.328 -6.957 2.688 1.00 0.00 C ATOM 287 OG1 THR A 23 -15.088 -6.287 3.700 1.00 0.00 O ATOM 288 CG2 THR A 23 -15.023 -8.252 2.298 1.00 0.00 C ATOM 0 H THR A 23 -13.162 -7.346 5.274 1.00 0.00 H new ATOM 0 HA THR A 23 -12.390 -7.884 2.489 1.00 0.00 H new ATOM 0 HB THR A 23 -14.259 -6.321 1.805 1.00 0.00 H new ATOM 0 HG1 THR A 23 -15.994 -6.113 3.368 1.00 0.00 H new ATOM 0 HG21 THR A 23 -16.029 -8.032 1.941 1.00 0.00 H new ATOM 0 HG22 THR A 23 -14.457 -8.745 1.507 1.00 0.00 H new ATOM 0 HG23 THR A 23 -15.082 -8.909 3.166 1.00 0.00 H new ATOM 296 N THR A 24 -11.499 -5.696 4.446 1.00 0.00 N ATOM 297 CA THR A 24 -10.741 -4.473 4.674 1.00 0.00 C ATOM 298 C THR A 24 -9.375 -4.778 5.278 1.00 0.00 C ATOM 299 O THR A 24 -9.225 -5.722 6.053 1.00 0.00 O ATOM 300 CB THR A 24 -11.498 -3.509 5.607 1.00 0.00 C ATOM 301 OG1 THR A 24 -12.881 -3.458 5.241 1.00 0.00 O ATOM 302 CG2 THR A 24 -10.900 -2.111 5.541 1.00 0.00 C ATOM 0 H THR A 24 -11.485 -6.352 5.227 1.00 0.00 H new ATOM 0 HA THR A 24 -10.608 -3.997 3.702 1.00 0.00 H new ATOM 0 HB THR A 24 -11.406 -3.880 6.628 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.355 -2.844 5.840 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.451 -1.448 6.208 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.855 -2.148 5.848 1.00 0.00 H new ATOM 0 HG23 THR A 24 -10.966 -1.735 4.520 1.00 0.00 H new ATOM 310 N ILE A 25 -8.381 -3.972 4.917 1.00 0.00 N ATOM 311 CA ILE A 25 -7.027 -4.156 5.425 1.00 0.00 C ATOM 312 C ILE A 25 -6.385 -2.817 5.773 1.00 0.00 C ATOM 313 O ILE A 25 -6.464 -1.860 5.004 1.00 0.00 O ATOM 314 CB ILE A 25 -6.138 -4.890 4.405 1.00 0.00 C ATOM 315 CG1 ILE A 25 -6.496 -6.376 4.359 1.00 0.00 C ATOM 316 CG2 ILE A 25 -4.668 -4.704 4.754 1.00 0.00 C ATOM 317 CD1 ILE A 25 -5.600 -7.186 3.449 1.00 0.00 C ATOM 0 H ILE A 25 -8.488 -3.186 4.275 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.107 -4.763 6.327 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.314 -4.463 3.418 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.442 -6.786 5.368 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -7.529 -6.482 4.027 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -4.052 -5.229 4.024 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -4.422 -3.642 4.740 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.476 -5.108 5.748 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.912 -8.230 3.466 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -5.672 -6.802 2.431 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.568 -7.110 3.793 1.00 0.00 H new ATOM 329 N MET A 26 -5.747 -2.758 6.938 1.00 0.00 N ATOM 330 CA MET A 26 -5.087 -1.538 7.387 1.00 0.00 C ATOM 331 C MET A 26 -3.570 -1.691 7.342 1.00 0.00 C ATOM 332 O MET A 26 -3.001 -2.533 8.039 1.00 0.00 O ATOM 333 CB MET A 26 -5.534 -1.183 8.806 1.00 0.00 C ATOM 334 CG MET A 26 -4.493 -0.407 9.595 1.00 0.00 C ATOM 335 SD MET A 26 -5.226 0.673 10.839 1.00 0.00 S ATOM 336 CE MET A 26 -4.869 2.284 10.141 1.00 0.00 C ATOM 0 H MET A 26 -5.673 -3.541 7.588 1.00 0.00 H new ATOM 0 HA MET A 26 -5.373 -0.731 6.712 1.00 0.00 H new ATOM 0 HB2 MET A 26 -6.450 -0.595 8.753 1.00 0.00 H new ATOM 0 HB3 MET A 26 -5.775 -2.101 9.343 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.815 -1.108 10.082 1.00 0.00 H new ATOM 0 HG3 MET A 26 -3.894 0.191 8.908 1.00 0.00 H new ATOM 0 HE1 MET A 26 -5.751 2.919 10.221 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.042 2.741 10.685 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.596 2.173 9.092 1.00 0.00 H new ATOM 346 N LEU A 27 -2.921 -0.875 6.520 1.00 0.00 N ATOM 347 CA LEU A 27 -1.469 -0.920 6.384 1.00 0.00 C ATOM 348 C LEU A 27 -0.856 0.454 6.630 1.00 0.00 C ATOM 349 O LEU A 27 -1.426 1.477 6.250 1.00 0.00 O ATOM 350 CB LEU A 27 -1.083 -1.423 4.992 1.00 0.00 C ATOM 351 CG LEU A 27 -1.065 -0.372 3.881 1.00 0.00 C ATOM 352 CD1 LEU A 27 -0.107 -0.782 2.774 1.00 0.00 C ATOM 353 CD2 LEU A 27 -2.466 -0.161 3.324 1.00 0.00 C ATOM 0 H LEU A 27 -3.377 -0.173 5.937 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.080 -1.609 7.133 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.093 -1.876 5.053 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.778 -2.213 4.707 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.717 0.570 4.304 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.108 -0.022 1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.899 -0.882 3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.424 -1.736 2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.434 0.590 2.535 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.841 -1.100 2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.127 0.178 4.121 1.00 0.00 H new ATOM 365 N LYS A 28 0.310 0.471 7.266 1.00 0.00 N ATOM 366 CA LYS A 28 1.004 1.719 7.560 1.00 0.00 C ATOM 367 C LYS A 28 2.411 1.711 6.972 1.00 0.00 C ATOM 368 O LYS A 28 3.089 0.683 6.973 1.00 0.00 O ATOM 369 CB LYS A 28 1.074 1.944 9.072 1.00 0.00 C ATOM 370 CG LYS A 28 -0.270 1.814 9.769 1.00 0.00 C ATOM 371 CD LYS A 28 -0.105 1.461 11.237 1.00 0.00 C ATOM 372 CE LYS A 28 -1.442 1.143 11.888 1.00 0.00 C ATOM 373 NZ LYS A 28 -1.404 1.344 13.363 1.00 0.00 N ATOM 0 H LYS A 28 0.795 -0.367 7.588 1.00 0.00 H new ATOM 0 HA LYS A 28 0.442 2.534 7.103 1.00 0.00 H new ATOM 0 HB2 LYS A 28 1.770 1.226 9.506 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.479 2.937 9.265 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.820 2.751 9.679 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -0.865 1.046 9.274 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.561 0.603 11.333 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.367 2.292 11.761 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.216 1.777 11.455 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.716 0.111 11.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.334 1.117 13.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.683 0.721 13.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.168 2.335 13.572 1.00 0.00 H new ATOM 387 N TRP A 29 2.845 2.862 6.471 1.00 0.00 N ATOM 388 CA TRP A 29 4.173 2.987 5.881 1.00 0.00 C ATOM 389 C TRP A 29 4.989 4.056 6.599 1.00 0.00 C ATOM 390 O TRP A 29 4.435 4.934 7.258 1.00 0.00 O ATOM 391 CB TRP A 29 4.062 3.326 4.393 1.00 0.00 C ATOM 392 CG TRP A 29 3.258 4.561 4.123 1.00 0.00 C ATOM 393 CD1 TRP A 29 3.719 5.846 4.085 1.00 0.00 C ATOM 394 CD2 TRP A 29 1.853 4.629 3.857 1.00 0.00 C ATOM 395 NE1 TRP A 29 2.685 6.709 3.810 1.00 0.00 N ATOM 396 CE2 TRP A 29 1.530 5.986 3.665 1.00 0.00 C ATOM 397 CE3 TRP A 29 0.837 3.674 3.759 1.00 0.00 C ATOM 398 CZ2 TRP A 29 0.234 6.410 3.383 1.00 0.00 C ATOM 399 CZ3 TRP A 29 -0.449 4.096 3.480 1.00 0.00 C ATOM 400 CH2 TRP A 29 -0.741 5.454 3.294 1.00 0.00 C ATOM 0 H TRP A 29 2.297 3.722 6.462 1.00 0.00 H new ATOM 0 HA TRP A 29 4.685 2.031 5.992 1.00 0.00 H new ATOM 0 HB2 TRP A 29 5.063 3.456 3.982 1.00 0.00 H new ATOM 0 HB3 TRP A 29 3.609 2.484 3.869 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.745 6.141 4.247 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.765 7.723 3.727 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.053 2.625 3.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 0.006 7.456 3.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.242 3.367 3.404 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.756 5.752 3.076 1.00 0.00 H new ATOM 411 N MET A 30 6.309 3.975 6.465 1.00 0.00 N ATOM 412 CA MET A 30 7.201 4.937 7.101 1.00 0.00 C ATOM 413 C MET A 30 8.005 5.706 6.057 1.00 0.00 C ATOM 414 O MET A 30 8.038 5.330 4.885 1.00 0.00 O ATOM 415 CB MET A 30 8.150 4.225 8.068 1.00 0.00 C ATOM 416 CG MET A 30 9.366 3.617 7.388 1.00 0.00 C ATOM 417 SD MET A 30 10.364 2.622 8.512 1.00 0.00 S ATOM 418 CE MET A 30 11.165 3.901 9.477 1.00 0.00 C ATOM 0 H MET A 30 6.784 3.254 5.922 1.00 0.00 H new ATOM 0 HA MET A 30 6.590 5.646 7.659 1.00 0.00 H new ATOM 0 HB2 MET A 30 8.484 4.935 8.825 1.00 0.00 H new ATOM 0 HB3 MET A 30 7.603 3.438 8.588 1.00 0.00 H new ATOM 0 HG2 MET A 30 9.039 2.997 6.553 1.00 0.00 H new ATOM 0 HG3 MET A 30 9.981 4.414 6.971 1.00 0.00 H new ATOM 0 HE1 MET A 30 12.238 3.714 9.509 1.00 0.00 H new ATOM 0 HE2 MET A 30 10.979 4.872 9.019 1.00 0.00 H new ATOM 0 HE3 MET A 30 10.765 3.896 10.491 1.00 0.00 H new ATOM 428 N TYR A 31 8.649 6.784 6.489 1.00 0.00 N ATOM 429 CA TYR A 31 9.450 7.607 5.591 1.00 0.00 C ATOM 430 C TYR A 31 10.795 7.953 6.222 1.00 0.00 C ATOM 431 O TYR A 31 10.884 8.201 7.425 1.00 0.00 O ATOM 432 CB TYR A 31 8.697 8.890 5.234 1.00 0.00 C ATOM 433 CG TYR A 31 9.374 9.710 4.159 1.00 0.00 C ATOM 434 CD1 TYR A 31 9.208 9.402 2.814 1.00 0.00 C ATOM 435 CD2 TYR A 31 10.181 10.793 4.488 1.00 0.00 C ATOM 436 CE1 TYR A 31 9.824 10.148 1.829 1.00 0.00 C ATOM 437 CE2 TYR A 31 10.800 11.545 3.509 1.00 0.00 C ATOM 438 CZ TYR A 31 10.619 11.219 2.181 1.00 0.00 C ATOM 439 OH TYR A 31 11.236 11.965 1.203 1.00 0.00 O ATOM 0 H TYR A 31 8.632 7.109 7.456 1.00 0.00 H new ATOM 0 HA TYR A 31 9.633 7.035 4.681 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.691 8.631 4.902 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.590 9.500 6.131 1.00 0.00 H new ATOM 0 HD1 TYR A 31 8.586 8.564 2.534 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.326 11.051 5.527 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.684 9.894 0.789 1.00 0.00 H new ATOM 0 HE2 TYR A 31 11.423 12.384 3.782 1.00 0.00 H new ATOM 0 HH TYR A 31 11.553 11.372 0.490 1.00 0.00 H new ATOM 449 N ILE A 32 11.840 7.967 5.401 1.00 0.00 N ATOM 450 CA ILE A 32 13.181 8.284 5.877 1.00 0.00 C ATOM 451 C ILE A 32 13.717 9.546 5.210 1.00 0.00 C ATOM 452 O ILE A 32 13.935 9.593 3.999 1.00 0.00 O ATOM 453 CB ILE A 32 14.159 7.123 5.617 1.00 0.00 C ATOM 454 CG1 ILE A 32 13.440 5.780 5.758 1.00 0.00 C ATOM 455 CG2 ILE A 32 15.340 7.201 6.574 1.00 0.00 C ATOM 456 CD1 ILE A 32 13.136 5.405 7.191 1.00 0.00 C ATOM 0 H ILE A 32 11.784 7.763 4.403 1.00 0.00 H new ATOM 0 HA ILE A 32 13.104 8.449 6.952 1.00 0.00 H new ATOM 0 HB ILE A 32 14.536 7.206 4.598 1.00 0.00 H new ATOM 0 HG12 ILE A 32 12.508 5.815 5.195 1.00 0.00 H new ATOM 0 HG13 ILE A 32 14.054 4.999 5.309 1.00 0.00 H new ATOM 0 HG21 ILE A 32 16.022 6.374 6.378 1.00 0.00 H new ATOM 0 HG22 ILE A 32 15.864 8.146 6.429 1.00 0.00 H new ATOM 0 HG23 ILE A 32 14.981 7.139 7.601 1.00 0.00 H new ATOM 0 HD11 ILE A 32 12.626 4.442 7.215 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.067 5.337 7.755 1.00 0.00 H new ATOM 0 HD13 ILE A 32 12.496 6.166 7.638 1.00 0.00 H new ATOM 468 N PRO A 33 13.938 10.594 6.018 1.00 0.00 N ATOM 469 CA PRO A 33 14.455 11.875 5.528 1.00 0.00 C ATOM 470 C PRO A 33 15.912 11.783 5.088 1.00 0.00 C ATOM 471 O PRO A 33 16.376 12.581 4.274 1.00 0.00 O ATOM 472 CB PRO A 33 14.321 12.799 6.742 1.00 0.00 C ATOM 473 CG PRO A 33 14.357 11.885 7.918 1.00 0.00 C ATOM 474 CD PRO A 33 13.701 10.608 7.471 1.00 0.00 C ATOM 0 HA PRO A 33 13.914 12.222 4.648 1.00 0.00 H new ATOM 0 HB2 PRO A 33 15.134 13.524 6.779 1.00 0.00 H new ATOM 0 HB3 PRO A 33 13.390 13.365 6.708 1.00 0.00 H new ATOM 0 HG2 PRO A 33 15.382 11.705 8.241 1.00 0.00 H new ATOM 0 HG3 PRO A 33 13.828 12.319 8.766 1.00 0.00 H new ATOM 0 HD2 PRO A 33 14.141 9.738 7.958 1.00 0.00 H new ATOM 0 HD3 PRO A 33 12.636 10.600 7.705 1.00 0.00 H new ATOM 482 N ALA A 34 16.628 10.804 5.630 1.00 0.00 N ATOM 483 CA ALA A 34 18.032 10.606 5.291 1.00 0.00 C ATOM 484 C ALA A 34 18.188 10.147 3.845 1.00 0.00 C ATOM 485 O ALA A 34 18.718 10.875 3.006 1.00 0.00 O ATOM 486 CB ALA A 34 18.667 9.598 6.237 1.00 0.00 C ATOM 0 H ALA A 34 16.259 10.135 6.306 1.00 0.00 H new ATOM 0 HA ALA A 34 18.544 11.562 5.399 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.715 9.460 5.972 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.597 9.966 7.261 1.00 0.00 H new ATOM 0 HB3 ALA A 34 18.144 8.645 6.157 1.00 0.00 H new ATOM 492 N SER A 35 17.723 8.934 3.560 1.00 0.00 N ATOM 493 CA SER A 35 17.815 8.377 2.216 1.00 0.00 C ATOM 494 C SER A 35 16.775 9.007 1.294 1.00 0.00 C ATOM 495 O SER A 35 16.052 8.307 0.586 1.00 0.00 O ATOM 496 CB SER A 35 17.624 6.859 2.257 1.00 0.00 C ATOM 497 OG SER A 35 16.249 6.519 2.291 1.00 0.00 O ATOM 0 H SER A 35 17.279 8.319 4.242 1.00 0.00 H new ATOM 0 HA SER A 35 18.807 8.602 1.823 1.00 0.00 H new ATOM 0 HB2 SER A 35 18.092 6.407 1.383 1.00 0.00 H new ATOM 0 HB3 SER A 35 18.125 6.450 3.134 1.00 0.00 H new ATOM 0 HG SER A 35 15.827 6.779 1.446 1.00 0.00 H new ATOM 503 N ASN A 36 16.707 10.334 1.310 1.00 0.00 N ATOM 504 CA ASN A 36 15.756 11.060 0.476 1.00 0.00 C ATOM 505 C ASN A 36 16.477 12.037 -0.447 1.00 0.00 C ATOM 506 O ASN A 36 17.664 12.308 -0.275 1.00 0.00 O ATOM 507 CB ASN A 36 14.751 11.814 1.350 1.00 0.00 C ATOM 508 CG ASN A 36 13.699 12.535 0.530 1.00 0.00 C ATOM 509 OD1 ASN A 36 13.200 12.007 -0.464 1.00 0.00 O ATOM 510 ND2 ASN A 36 13.356 13.749 0.945 1.00 0.00 N ATOM 0 H ASN A 36 17.299 10.928 1.891 1.00 0.00 H new ATOM 0 HA ASN A 36 15.222 10.335 -0.138 1.00 0.00 H new ATOM 0 HB2 ASN A 36 14.263 11.112 2.026 1.00 0.00 H new ATOM 0 HB3 ASN A 36 15.283 12.536 1.970 1.00 0.00 H new ATOM 0 HD21 ASN A 36 12.653 14.283 0.434 1.00 0.00 H new ATOM 0 HD22 ASN A 36 13.796 14.148 1.775 1.00 0.00 H new ATOM 517 N ASN A 37 15.750 12.564 -1.427 1.00 0.00 N ATOM 518 CA ASN A 37 16.320 13.511 -2.378 1.00 0.00 C ATOM 519 C ASN A 37 15.894 14.938 -2.046 1.00 0.00 C ATOM 520 O ASN A 37 15.931 15.822 -2.901 1.00 0.00 O ATOM 521 CB ASN A 37 15.889 13.157 -3.803 1.00 0.00 C ATOM 522 CG ASN A 37 16.638 11.958 -4.352 1.00 0.00 C ATOM 523 OD1 ASN A 37 17.768 11.680 -3.949 1.00 0.00 O ATOM 524 ND2 ASN A 37 16.011 11.241 -5.277 1.00 0.00 N ATOM 0 H ASN A 37 14.765 12.351 -1.583 1.00 0.00 H new ATOM 0 HA ASN A 37 17.406 13.449 -2.308 1.00 0.00 H new ATOM 0 HB2 ASN A 37 14.819 12.950 -3.815 1.00 0.00 H new ATOM 0 HB3 ASN A 37 16.055 14.015 -4.454 1.00 0.00 H new ATOM 0 HD21 ASN A 37 16.466 10.423 -5.683 1.00 0.00 H new ATOM 0 HD22 ASN A 37 15.075 11.508 -5.581 1.00 0.00 H new ATOM 531 N ASN A 38 15.490 15.154 -0.799 1.00 0.00 N ATOM 532 CA ASN A 38 15.057 16.474 -0.353 1.00 0.00 C ATOM 533 C ASN A 38 14.009 17.050 -1.299 1.00 0.00 C ATOM 534 O ASN A 38 14.099 18.206 -1.715 1.00 0.00 O ATOM 535 CB ASN A 38 16.254 17.422 -0.262 1.00 0.00 C ATOM 536 CG ASN A 38 15.937 18.680 0.524 1.00 0.00 C ATOM 537 OD1 ASN A 38 14.772 19.037 0.700 1.00 0.00 O ATOM 538 ND2 ASN A 38 16.974 19.358 1.000 1.00 0.00 N ATOM 0 H ASN A 38 15.453 14.433 -0.079 1.00 0.00 H new ATOM 0 HA ASN A 38 14.610 16.368 0.635 1.00 0.00 H new ATOM 0 HB2 ASN A 38 17.089 16.904 0.209 1.00 0.00 H new ATOM 0 HB3 ASN A 38 16.574 17.696 -1.267 1.00 0.00 H new ATOM 0 HD21 ASN A 38 16.822 20.212 1.536 1.00 0.00 H new ATOM 0 HD22 ASN A 38 17.923 19.025 0.830 1.00 0.00 H new ATOM 545 N THR A 39 13.013 16.237 -1.637 1.00 0.00 N ATOM 546 CA THR A 39 11.947 16.665 -2.534 1.00 0.00 C ATOM 547 C THR A 39 10.575 16.395 -1.927 1.00 0.00 C ATOM 548 O THR A 39 10.343 15.367 -1.290 1.00 0.00 O ATOM 549 CB THR A 39 12.041 15.954 -3.897 1.00 0.00 C ATOM 550 OG1 THR A 39 11.426 16.756 -4.912 1.00 0.00 O ATOM 551 CG2 THR A 39 11.368 14.590 -3.844 1.00 0.00 C ATOM 0 H THR A 39 12.923 15.278 -1.303 1.00 0.00 H new ATOM 0 HA THR A 39 12.071 17.738 -2.682 1.00 0.00 H new ATOM 0 HB THR A 39 13.095 15.812 -4.136 1.00 0.00 H new ATOM 0 HG1 THR A 39 11.491 16.297 -5.776 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.447 14.107 -4.818 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.858 13.972 -3.092 1.00 0.00 H new ATOM 0 HG23 THR A 39 10.317 14.713 -3.584 1.00 0.00 H new ATOM 559 N PRO A 40 9.643 17.338 -2.126 1.00 0.00 N ATOM 560 CA PRO A 40 8.277 17.223 -1.607 1.00 0.00 C ATOM 561 C PRO A 40 7.474 16.140 -2.319 1.00 0.00 C ATOM 562 O PRO A 40 7.654 15.907 -3.515 1.00 0.00 O ATOM 563 CB PRO A 40 7.675 18.603 -1.883 1.00 0.00 C ATOM 564 CG PRO A 40 8.457 19.134 -3.034 1.00 0.00 C ATOM 565 CD PRO A 40 9.850 18.589 -2.875 1.00 0.00 C ATOM 0 HA PRO A 40 8.264 16.940 -0.555 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.614 18.531 -2.124 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.760 19.253 -1.013 1.00 0.00 H new ATOM 0 HG2 PRO A 40 8.020 18.818 -3.981 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.462 20.224 -3.033 1.00 0.00 H new ATOM 0 HD2 PRO A 40 10.323 18.406 -3.840 1.00 0.00 H new ATOM 0 HD3 PRO A 40 10.493 19.281 -2.331 1.00 0.00 H new ATOM 573 N ILE A 41 6.589 15.482 -1.579 1.00 0.00 N ATOM 574 CA ILE A 41 5.759 14.424 -2.141 1.00 0.00 C ATOM 575 C ILE A 41 4.320 14.895 -2.326 1.00 0.00 C ATOM 576 O ILE A 41 3.757 15.563 -1.457 1.00 0.00 O ATOM 577 CB ILE A 41 5.766 13.168 -1.250 1.00 0.00 C ATOM 578 CG1 ILE A 41 7.184 12.875 -0.756 1.00 0.00 C ATOM 579 CG2 ILE A 41 5.207 11.976 -2.011 1.00 0.00 C ATOM 580 CD1 ILE A 41 7.306 11.561 -0.017 1.00 0.00 C ATOM 0 H ILE A 41 6.428 15.663 -0.588 1.00 0.00 H new ATOM 0 HA ILE A 41 6.185 14.172 -3.112 1.00 0.00 H new ATOM 0 HB ILE A 41 5.130 13.351 -0.384 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.863 12.868 -1.609 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.506 13.683 -0.099 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.219 11.096 -1.368 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.183 12.188 -2.318 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.819 11.789 -2.894 1.00 0.00 H new ATOM 0 HD11 ILE A 41 8.338 11.419 0.304 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.653 11.572 0.855 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.016 10.744 -0.677 1.00 0.00 H new ATOM 592 N HIS A 42 3.728 14.541 -3.463 1.00 0.00 N ATOM 593 CA HIS A 42 2.353 14.925 -3.761 1.00 0.00 C ATOM 594 C HIS A 42 1.369 14.115 -2.922 1.00 0.00 C ATOM 595 O HIS A 42 0.385 14.650 -2.413 1.00 0.00 O ATOM 596 CB HIS A 42 2.057 14.727 -5.248 1.00 0.00 C ATOM 597 CG HIS A 42 2.449 15.897 -6.097 1.00 0.00 C ATOM 598 ND1 HIS A 42 2.083 16.022 -7.420 1.00 0.00 N ATOM 599 CD2 HIS A 42 3.178 16.999 -5.804 1.00 0.00 C ATOM 600 CE1 HIS A 42 2.571 17.150 -7.905 1.00 0.00 C ATOM 601 NE2 HIS A 42 3.240 17.762 -6.944 1.00 0.00 N ATOM 0 H HIS A 42 4.179 13.989 -4.192 1.00 0.00 H new ATOM 0 HA HIS A 42 2.234 15.979 -3.512 1.00 0.00 H new ATOM 0 HB2 HIS A 42 2.584 13.840 -5.600 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.991 14.536 -5.376 1.00 0.00 H new ATOM 0 HD1 HIS A 42 1.523 15.349 -7.943 1.00 0.00 H new ATOM 0 HD2 HIS A 42 3.627 17.235 -4.851 1.00 0.00 H new ATOM 0 HE1 HIS A 42 2.445 17.510 -8.915 1.00 0.00 H new ATOM 610 N GLY A 43 1.642 12.821 -2.783 1.00 0.00 N ATOM 611 CA GLY A 43 0.770 11.959 -2.006 1.00 0.00 C ATOM 612 C GLY A 43 1.370 10.586 -1.774 1.00 0.00 C ATOM 613 O GLY A 43 2.584 10.449 -1.619 1.00 0.00 O ATOM 0 H GLY A 43 2.451 12.355 -3.194 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.562 12.429 -1.045 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.184 11.853 -2.522 1.00 0.00 H new ATOM 617 N PHE A 44 0.519 9.566 -1.749 1.00 0.00 N ATOM 618 CA PHE A 44 0.971 8.197 -1.532 1.00 0.00 C ATOM 619 C PHE A 44 0.054 7.203 -2.238 1.00 0.00 C ATOM 620 O PHE A 44 -1.138 7.123 -1.942 1.00 0.00 O ATOM 621 CB PHE A 44 1.023 7.887 -0.034 1.00 0.00 C ATOM 622 CG PHE A 44 2.300 8.323 0.625 1.00 0.00 C ATOM 623 CD1 PHE A 44 3.526 7.900 0.138 1.00 0.00 C ATOM 624 CD2 PHE A 44 2.274 9.156 1.732 1.00 0.00 C ATOM 625 CE1 PHE A 44 4.702 8.300 0.743 1.00 0.00 C ATOM 626 CE2 PHE A 44 3.447 9.560 2.341 1.00 0.00 C ATOM 627 CZ PHE A 44 4.663 9.132 1.845 1.00 0.00 C ATOM 0 H PHE A 44 -0.488 9.662 -1.876 1.00 0.00 H new ATOM 0 HA PHE A 44 1.973 8.100 -1.951 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.183 8.377 0.459 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.897 6.814 0.111 1.00 0.00 H new ATOM 0 HD1 PHE A 44 3.563 7.250 -0.724 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.326 9.494 2.124 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.651 7.962 0.354 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.413 10.209 3.203 1.00 0.00 H new ATOM 0 HZ PHE A 44 5.581 9.447 2.318 1.00 0.00 H new ATOM 637 N TYR A 45 0.620 6.447 -3.172 1.00 0.00 N ATOM 638 CA TYR A 45 -0.146 5.459 -3.923 1.00 0.00 C ATOM 639 C TYR A 45 0.003 4.071 -3.308 1.00 0.00 C ATOM 640 O TYR A 45 1.075 3.707 -2.824 1.00 0.00 O ATOM 641 CB TYR A 45 0.309 5.434 -5.384 1.00 0.00 C ATOM 642 CG TYR A 45 -0.243 6.574 -6.210 1.00 0.00 C ATOM 643 CD1 TYR A 45 -1.597 6.883 -6.186 1.00 0.00 C ATOM 644 CD2 TYR A 45 0.591 7.342 -7.014 1.00 0.00 C ATOM 645 CE1 TYR A 45 -2.105 7.923 -6.940 1.00 0.00 C ATOM 646 CE2 TYR A 45 0.091 8.384 -7.770 1.00 0.00 C ATOM 647 CZ TYR A 45 -1.257 8.671 -7.730 1.00 0.00 C ATOM 648 OH TYR A 45 -1.759 9.709 -8.481 1.00 0.00 O ATOM 0 H TYR A 45 1.606 6.499 -3.427 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.197 5.743 -3.881 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.398 5.467 -5.417 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.004 4.489 -5.834 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -2.264 6.300 -5.568 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.647 7.120 -7.048 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.161 8.149 -6.911 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.753 8.971 -8.390 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.433 10.560 -8.121 1.00 0.00 H new ATOM 658 N ILE A 46 -1.080 3.302 -3.331 1.00 0.00 N ATOM 659 CA ILE A 46 -1.070 1.954 -2.777 1.00 0.00 C ATOM 660 C ILE A 46 -1.587 0.939 -3.792 1.00 0.00 C ATOM 661 O ILE A 46 -2.683 1.090 -4.333 1.00 0.00 O ATOM 662 CB ILE A 46 -1.923 1.864 -1.498 1.00 0.00 C ATOM 663 CG1 ILE A 46 -1.357 2.786 -0.416 1.00 0.00 C ATOM 664 CG2 ILE A 46 -1.981 0.428 -1.000 1.00 0.00 C ATOM 665 CD1 ILE A 46 -2.409 3.327 0.528 1.00 0.00 C ATOM 0 H ILE A 46 -1.975 3.589 -3.727 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.034 1.722 -2.530 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.937 2.188 -1.732 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.609 2.241 0.160 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.845 3.621 -0.893 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.587 0.381 -0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.425 -0.206 -1.768 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.972 0.078 -0.779 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.936 3.972 1.268 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.144 3.900 -0.037 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.905 2.498 1.033 1.00 0.00 H new ATOM 677 N TYR A 47 -0.793 -0.095 -4.043 1.00 0.00 N ATOM 678 CA TYR A 47 -1.170 -1.135 -4.993 1.00 0.00 C ATOM 679 C TYR A 47 -1.518 -2.433 -4.270 1.00 0.00 C ATOM 680 O TYR A 47 -0.922 -2.765 -3.246 1.00 0.00 O ATOM 681 CB TYR A 47 -0.035 -1.381 -5.989 1.00 0.00 C ATOM 682 CG TYR A 47 0.240 -0.204 -6.897 1.00 0.00 C ATOM 683 CD1 TYR A 47 0.550 1.045 -6.374 1.00 0.00 C ATOM 684 CD2 TYR A 47 0.191 -0.342 -8.279 1.00 0.00 C ATOM 685 CE1 TYR A 47 0.801 2.123 -7.200 1.00 0.00 C ATOM 686 CE2 TYR A 47 0.442 0.731 -9.113 1.00 0.00 C ATOM 687 CZ TYR A 47 0.746 1.961 -8.568 1.00 0.00 C ATOM 688 OH TYR A 47 0.997 3.033 -9.395 1.00 0.00 O ATOM 0 H TYR A 47 0.116 -0.236 -3.602 1.00 0.00 H new ATOM 0 HA TYR A 47 -2.052 -0.794 -5.535 1.00 0.00 H new ATOM 0 HB2 TYR A 47 0.874 -1.624 -5.438 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -0.280 -2.250 -6.599 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.596 1.175 -5.303 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -0.047 -1.304 -8.708 1.00 0.00 H new ATOM 0 HE1 TYR A 47 1.039 3.088 -6.777 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.400 0.607 -10.185 1.00 0.00 H new ATOM 0 HH TYR A 47 0.919 2.750 -10.330 1.00 0.00 H new ATOM 698 N TYR A 48 -2.486 -3.162 -4.813 1.00 0.00 N ATOM 699 CA TYR A 48 -2.916 -4.423 -4.220 1.00 0.00 C ATOM 700 C TYR A 48 -3.591 -5.312 -5.261 1.00 0.00 C ATOM 701 O TYR A 48 -4.143 -4.824 -6.247 1.00 0.00 O ATOM 702 CB TYR A 48 -3.875 -4.163 -3.057 1.00 0.00 C ATOM 703 CG TYR A 48 -4.878 -3.067 -3.332 1.00 0.00 C ATOM 704 CD1 TYR A 48 -4.503 -1.729 -3.297 1.00 0.00 C ATOM 705 CD2 TYR A 48 -6.202 -3.368 -3.629 1.00 0.00 C ATOM 706 CE1 TYR A 48 -5.417 -0.724 -3.548 1.00 0.00 C ATOM 707 CE2 TYR A 48 -7.123 -2.369 -3.882 1.00 0.00 C ATOM 708 CZ TYR A 48 -6.725 -1.049 -3.840 1.00 0.00 C ATOM 709 OH TYR A 48 -7.638 -0.051 -4.091 1.00 0.00 O ATOM 0 H TYR A 48 -2.988 -2.902 -5.662 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.032 -4.939 -3.845 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.410 -5.084 -2.826 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -3.296 -3.900 -2.172 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -3.479 -1.471 -3.070 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -6.517 -4.401 -3.663 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -5.109 0.311 -3.516 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.148 -2.620 -4.111 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.216 0.651 -4.629 1.00 0.00 H new ATOM 719 N ARG A 49 -3.542 -6.620 -5.033 1.00 0.00 N ATOM 720 CA ARG A 49 -4.147 -7.579 -5.949 1.00 0.00 C ATOM 721 C ARG A 49 -4.129 -8.985 -5.356 1.00 0.00 C ATOM 722 O ARG A 49 -3.179 -9.389 -4.685 1.00 0.00 O ATOM 723 CB ARG A 49 -3.411 -7.569 -7.290 1.00 0.00 C ATOM 724 CG ARG A 49 -2.004 -8.139 -7.216 1.00 0.00 C ATOM 725 CD ARG A 49 -1.993 -9.635 -7.489 1.00 0.00 C ATOM 726 NE ARG A 49 -0.748 -10.262 -7.051 1.00 0.00 N ATOM 727 CZ ARG A 49 0.410 -10.117 -7.685 1.00 0.00 C ATOM 728 NH1 ARG A 49 0.482 -9.369 -8.778 1.00 0.00 N ATOM 729 NH2 ARG A 49 1.499 -10.719 -7.226 1.00 0.00 N ATOM 0 H ARG A 49 -3.089 -7.040 -4.221 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.184 -7.285 -6.109 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.988 -8.141 -8.016 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.360 -6.545 -7.659 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -1.366 -7.631 -7.940 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -1.583 -7.945 -6.229 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.834 -10.103 -6.978 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.131 -9.810 -8.556 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.769 -10.843 -6.213 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.353 -8.904 -9.133 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.373 -9.259 -9.263 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.448 -11.294 -6.385 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.388 -10.607 -7.714 1.00 0.00 H new ATOM 743 N PRO A 50 -5.202 -9.748 -5.609 1.00 0.00 N ATOM 744 CA PRO A 50 -5.333 -11.120 -5.110 1.00 0.00 C ATOM 745 C PRO A 50 -4.367 -12.081 -5.794 1.00 0.00 C ATOM 746 O PRO A 50 -4.040 -11.918 -6.970 1.00 0.00 O ATOM 747 CB PRO A 50 -6.780 -11.485 -5.450 1.00 0.00 C ATOM 748 CG PRO A 50 -7.129 -10.614 -6.607 1.00 0.00 C ATOM 749 CD PRO A 50 -6.370 -9.331 -6.402 1.00 0.00 C ATOM 0 HA PRO A 50 -5.099 -11.191 -4.048 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -6.872 -12.540 -5.707 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.443 -11.304 -4.604 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -6.851 -11.086 -7.549 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.203 -10.430 -6.648 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -6.073 -8.884 -7.351 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.970 -8.589 -5.874 1.00 0.00 H new ATOM 757 N THR A 51 -3.911 -13.085 -5.051 1.00 0.00 N ATOM 758 CA THR A 51 -2.982 -14.071 -5.586 1.00 0.00 C ATOM 759 C THR A 51 -3.567 -14.774 -6.805 1.00 0.00 C ATOM 760 O THR A 51 -2.837 -15.356 -7.608 1.00 0.00 O ATOM 761 CB THR A 51 -2.613 -15.128 -4.527 1.00 0.00 C ATOM 762 OG1 THR A 51 -1.299 -15.638 -4.781 1.00 0.00 O ATOM 763 CG2 THR A 51 -3.616 -16.271 -4.530 1.00 0.00 C ATOM 0 H THR A 51 -4.171 -13.236 -4.076 1.00 0.00 H new ATOM 0 HA THR A 51 -2.082 -13.530 -5.879 1.00 0.00 H new ATOM 0 HB THR A 51 -2.634 -14.651 -3.547 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.071 -16.308 -4.103 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.334 -17.004 -3.774 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.610 -15.883 -4.307 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.624 -16.746 -5.511 1.00 0.00 H new ATOM 771 N ASP A 52 -4.887 -14.716 -6.938 1.00 0.00 N ATOM 772 CA ASP A 52 -5.571 -15.345 -8.062 1.00 0.00 C ATOM 773 C ASP A 52 -5.445 -14.493 -9.321 1.00 0.00 C ATOM 774 O ASP A 52 -5.508 -15.006 -10.439 1.00 0.00 O ATOM 775 CB ASP A 52 -7.047 -15.569 -7.728 1.00 0.00 C ATOM 776 CG ASP A 52 -7.917 -14.395 -8.133 1.00 0.00 C ATOM 777 OD1 ASP A 52 -8.086 -14.175 -9.350 1.00 0.00 O ATOM 778 OD2 ASP A 52 -8.427 -13.697 -7.232 1.00 0.00 O ATOM 0 H ASP A 52 -5.505 -14.240 -6.281 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.099 -16.309 -8.249 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.398 -16.469 -8.233 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.152 -15.743 -6.657 1.00 0.00 H new ATOM 783 N SER A 53 -5.270 -13.189 -9.132 1.00 0.00 N ATOM 784 CA SER A 53 -5.140 -12.265 -10.252 1.00 0.00 C ATOM 785 C SER A 53 -4.310 -12.883 -11.374 1.00 0.00 C ATOM 786 O SER A 53 -3.470 -13.750 -11.133 1.00 0.00 O ATOM 787 CB SER A 53 -4.498 -10.956 -9.789 1.00 0.00 C ATOM 788 OG SER A 53 -5.456 -10.103 -9.187 1.00 0.00 O ATOM 0 H SER A 53 -5.215 -12.749 -8.214 1.00 0.00 H new ATOM 0 HA SER A 53 -6.139 -12.056 -10.636 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.700 -11.170 -9.078 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.040 -10.451 -10.640 1.00 0.00 H new ATOM 0 HG SER A 53 -6.325 -10.229 -9.622 1.00 0.00 H new ATOM 794 N ASP A 54 -4.553 -12.431 -12.599 1.00 0.00 N ATOM 795 CA ASP A 54 -3.829 -12.937 -13.758 1.00 0.00 C ATOM 796 C ASP A 54 -2.367 -12.501 -13.720 1.00 0.00 C ATOM 797 O ASP A 54 -1.460 -13.326 -13.811 1.00 0.00 O ATOM 798 CB ASP A 54 -4.486 -12.449 -15.051 1.00 0.00 C ATOM 799 CG ASP A 54 -4.307 -13.426 -16.196 1.00 0.00 C ATOM 800 OD1 ASP A 54 -3.148 -13.767 -16.509 1.00 0.00 O ATOM 801 OD2 ASP A 54 -5.327 -13.849 -16.779 1.00 0.00 O ATOM 0 H ASP A 54 -5.246 -11.715 -12.815 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.865 -14.026 -13.730 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.550 -12.289 -14.877 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.060 -11.485 -15.330 1.00 0.00 H new ATOM 806 N ASN A 55 -2.148 -11.197 -13.584 1.00 0.00 N ATOM 807 CA ASN A 55 -0.797 -10.650 -13.535 1.00 0.00 C ATOM 808 C ASN A 55 -0.798 -9.251 -12.928 1.00 0.00 C ATOM 809 O ASN A 55 -1.836 -8.754 -12.488 1.00 0.00 O ATOM 810 CB ASN A 55 -0.190 -10.608 -14.939 1.00 0.00 C ATOM 811 CG ASN A 55 -1.222 -10.303 -16.006 1.00 0.00 C ATOM 812 OD1 ASN A 55 -2.090 -11.125 -16.300 1.00 0.00 O ATOM 813 ND2 ASN A 55 -1.133 -9.115 -16.593 1.00 0.00 N ATOM 0 H ASN A 55 -2.888 -10.500 -13.506 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.192 -11.300 -12.904 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.595 -9.852 -14.970 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.281 -11.566 -15.157 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.800 -8.853 -17.319 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.397 -8.464 -16.318 1.00 0.00 H new ATOM 820 N ASP A 56 0.371 -8.620 -12.907 1.00 0.00 N ATOM 821 CA ASP A 56 0.505 -7.276 -12.355 1.00 0.00 C ATOM 822 C ASP A 56 -0.542 -6.338 -12.949 1.00 0.00 C ATOM 823 O ASP A 56 -0.949 -5.365 -12.314 1.00 0.00 O ATOM 824 CB ASP A 56 1.908 -6.730 -12.623 1.00 0.00 C ATOM 825 CG ASP A 56 2.993 -7.737 -12.296 1.00 0.00 C ATOM 826 OD1 ASP A 56 3.040 -8.794 -12.957 1.00 0.00 O ATOM 827 OD2 ASP A 56 3.796 -7.467 -11.377 1.00 0.00 O ATOM 0 H ASP A 56 1.239 -9.017 -13.266 1.00 0.00 H new ATOM 0 HA ASP A 56 0.346 -7.334 -11.278 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.988 -6.441 -13.671 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.063 -5.828 -12.031 1.00 0.00 H new ATOM 832 N SER A 57 -0.972 -6.637 -14.170 1.00 0.00 N ATOM 833 CA SER A 57 -1.967 -5.817 -14.852 1.00 0.00 C ATOM 834 C SER A 57 -3.200 -5.619 -13.975 1.00 0.00 C ATOM 835 O SER A 57 -4.018 -4.734 -14.226 1.00 0.00 O ATOM 836 CB SER A 57 -2.370 -6.465 -16.178 1.00 0.00 C ATOM 837 OG SER A 57 -3.052 -5.542 -17.010 1.00 0.00 O ATOM 0 H SER A 57 -0.647 -7.441 -14.708 1.00 0.00 H new ATOM 0 HA SER A 57 -1.523 -4.842 -15.052 1.00 0.00 H new ATOM 0 HB2 SER A 57 -1.482 -6.834 -16.691 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.009 -7.327 -15.986 1.00 0.00 H new ATOM 0 HG SER A 57 -3.298 -5.980 -17.852 1.00 0.00 H new ATOM 843 N ASP A 58 -3.326 -6.449 -12.946 1.00 0.00 N ATOM 844 CA ASP A 58 -4.457 -6.365 -12.030 1.00 0.00 C ATOM 845 C ASP A 58 -4.186 -5.352 -10.922 1.00 0.00 C ATOM 846 O ASP A 58 -5.091 -4.645 -10.478 1.00 0.00 O ATOM 847 CB ASP A 58 -4.752 -7.738 -11.422 1.00 0.00 C ATOM 848 CG ASP A 58 -6.195 -7.876 -10.977 1.00 0.00 C ATOM 849 OD1 ASP A 58 -6.633 -7.074 -10.126 1.00 0.00 O ATOM 850 OD2 ASP A 58 -6.886 -8.786 -11.481 1.00 0.00 O ATOM 0 H ASP A 58 -2.659 -7.188 -12.725 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.327 -6.032 -12.596 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.525 -8.513 -12.154 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.094 -7.903 -10.569 1.00 0.00 H new ATOM 855 N TYR A 59 -2.935 -5.289 -10.479 1.00 0.00 N ATOM 856 CA TYR A 59 -2.545 -4.366 -9.420 1.00 0.00 C ATOM 857 C TYR A 59 -3.290 -3.041 -9.551 1.00 0.00 C ATOM 858 O TYR A 59 -3.276 -2.408 -10.607 1.00 0.00 O ATOM 859 CB TYR A 59 -1.036 -4.121 -9.458 1.00 0.00 C ATOM 860 CG TYR A 59 -0.241 -5.115 -8.642 1.00 0.00 C ATOM 861 CD1 TYR A 59 -0.585 -5.396 -7.326 1.00 0.00 C ATOM 862 CD2 TYR A 59 0.855 -5.772 -9.187 1.00 0.00 C ATOM 863 CE1 TYR A 59 0.139 -6.303 -6.576 1.00 0.00 C ATOM 864 CE2 TYR A 59 1.584 -6.682 -8.445 1.00 0.00 C ATOM 865 CZ TYR A 59 1.222 -6.944 -7.141 1.00 0.00 C ATOM 866 OH TYR A 59 1.947 -7.848 -6.398 1.00 0.00 O ATOM 0 H TYR A 59 -2.174 -5.866 -10.837 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.809 -4.818 -8.464 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.696 -4.159 -10.493 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.830 -3.115 -9.091 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.433 -4.897 -6.881 1.00 0.00 H new ATOM 0 HD2 TYR A 59 1.142 -5.568 -10.208 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.141 -6.509 -5.554 1.00 0.00 H new ATOM 0 HE2 TYR A 59 2.433 -7.185 -8.884 1.00 0.00 H new ATOM 0 HH TYR A 59 2.676 -8.211 -6.944 1.00 0.00 H new ATOM 876 N LYS A 60 -3.940 -2.625 -8.469 1.00 0.00 N ATOM 877 CA LYS A 60 -4.690 -1.375 -8.459 1.00 0.00 C ATOM 878 C LYS A 60 -3.840 -0.235 -7.908 1.00 0.00 C ATOM 879 O LYS A 60 -2.655 -0.412 -7.623 1.00 0.00 O ATOM 880 CB LYS A 60 -5.963 -1.526 -7.624 1.00 0.00 C ATOM 881 CG LYS A 60 -7.121 -2.147 -8.386 1.00 0.00 C ATOM 882 CD LYS A 60 -8.355 -2.285 -7.511 1.00 0.00 C ATOM 883 CE LYS A 60 -9.205 -3.475 -7.930 1.00 0.00 C ATOM 884 NZ LYS A 60 -10.486 -3.535 -7.173 1.00 0.00 N ATOM 0 H LYS A 60 -3.962 -3.136 -7.587 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.964 -1.137 -9.487 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.744 -2.140 -6.750 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -6.265 -0.545 -7.257 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.357 -1.533 -9.255 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.827 -3.128 -8.760 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.053 -2.401 -6.470 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.949 -1.373 -7.571 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.416 -3.412 -8.997 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.645 -4.396 -7.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.037 -4.359 -7.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.285 -3.620 -6.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.033 -2.667 -7.346 1.00 0.00 H new ATOM 898 N LYS A 61 -4.452 0.935 -7.758 1.00 0.00 N ATOM 899 CA LYS A 61 -3.753 2.104 -7.238 1.00 0.00 C ATOM 900 C LYS A 61 -4.700 2.993 -6.439 1.00 0.00 C ATOM 901 O LYS A 61 -5.745 3.410 -6.939 1.00 0.00 O ATOM 902 CB LYS A 61 -3.131 2.904 -8.384 1.00 0.00 C ATOM 903 CG LYS A 61 -2.051 3.872 -7.934 1.00 0.00 C ATOM 904 CD LYS A 61 -1.664 4.833 -9.047 1.00 0.00 C ATOM 905 CE LYS A 61 -2.763 5.850 -9.311 1.00 0.00 C ATOM 906 NZ LYS A 61 -2.324 6.905 -10.266 1.00 0.00 N ATOM 0 H LYS A 61 -5.432 1.099 -7.990 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.961 1.757 -6.574 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.706 2.211 -9.111 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -3.916 3.461 -8.895 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -2.404 4.437 -7.071 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.172 3.314 -7.612 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.744 5.352 -8.778 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.459 4.272 -9.959 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.641 5.341 -9.710 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.063 6.313 -8.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -3.147 7.262 -10.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.883 7.687 -9.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.634 6.504 -10.933 1.00 0.00 H new ATOM 920 N ASP A 62 -4.327 3.281 -5.197 1.00 0.00 N ATOM 921 CA ASP A 62 -5.143 4.123 -4.329 1.00 0.00 C ATOM 922 C ASP A 62 -4.369 5.364 -3.893 1.00 0.00 C ATOM 923 O ASP A 62 -3.362 5.264 -3.193 1.00 0.00 O ATOM 924 CB ASP A 62 -5.602 3.335 -3.102 1.00 0.00 C ATOM 925 CG ASP A 62 -6.833 2.495 -3.380 1.00 0.00 C ATOM 926 OD1 ASP A 62 -7.242 2.414 -4.557 1.00 0.00 O ATOM 927 OD2 ASP A 62 -7.387 1.919 -2.420 1.00 0.00 O ATOM 0 H ASP A 62 -3.465 2.944 -4.768 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.019 4.443 -4.893 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.792 2.687 -2.766 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.815 4.028 -2.288 1.00 0.00 H new ATOM 932 N MET A 63 -4.847 6.531 -4.312 1.00 0.00 N ATOM 933 CA MET A 63 -4.200 7.790 -3.964 1.00 0.00 C ATOM 934 C MET A 63 -4.436 8.136 -2.497 1.00 0.00 C ATOM 935 O MET A 63 -5.521 7.906 -1.962 1.00 0.00 O ATOM 936 CB MET A 63 -4.720 8.919 -4.856 1.00 0.00 C ATOM 937 CG MET A 63 -3.773 10.105 -4.950 1.00 0.00 C ATOM 938 SD MET A 63 -4.638 11.665 -5.214 1.00 0.00 S ATOM 939 CE MET A 63 -4.720 12.293 -3.538 1.00 0.00 C ATOM 0 H MET A 63 -5.680 6.631 -4.893 1.00 0.00 H new ATOM 0 HA MET A 63 -3.128 7.675 -4.124 1.00 0.00 H new ATOM 0 HB2 MET A 63 -4.899 8.527 -5.857 1.00 0.00 H new ATOM 0 HB3 MET A 63 -5.681 9.261 -4.472 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.186 10.170 -4.034 1.00 0.00 H new ATOM 0 HG3 MET A 63 -3.071 9.940 -5.767 1.00 0.00 H new ATOM 0 HE1 MET A 63 -5.229 13.257 -3.535 1.00 0.00 H new ATOM 0 HE2 MET A 63 -5.270 11.590 -2.912 1.00 0.00 H new ATOM 0 HE3 MET A 63 -3.711 12.415 -3.145 1.00 0.00 H new ATOM 949 N VAL A 64 -3.414 8.690 -1.852 1.00 0.00 N ATOM 950 CA VAL A 64 -3.512 9.068 -0.447 1.00 0.00 C ATOM 951 C VAL A 64 -2.830 10.407 -0.190 1.00 0.00 C ATOM 952 O VAL A 64 -1.913 10.796 -0.913 1.00 0.00 O ATOM 953 CB VAL A 64 -2.882 7.999 0.466 1.00 0.00 C ATOM 954 CG1 VAL A 64 -3.230 8.269 1.922 1.00 0.00 C ATOM 955 CG2 VAL A 64 -3.335 6.608 0.050 1.00 0.00 C ATOM 0 H VAL A 64 -2.509 8.887 -2.280 1.00 0.00 H new ATOM 0 HA VAL A 64 -4.573 9.154 -0.215 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.798 8.049 0.361 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.777 7.504 2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.851 9.249 2.211 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -4.313 8.248 2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.880 5.866 0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.420 6.541 0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.030 6.418 -0.979 1.00 0.00 H new ATOM 965 N GLU A 65 -3.283 11.106 0.845 1.00 0.00 N ATOM 966 CA GLU A 65 -2.716 12.403 1.198 1.00 0.00 C ATOM 967 C GLU A 65 -1.208 12.299 1.406 1.00 0.00 C ATOM 968 O GLU A 65 -0.699 11.261 1.826 1.00 0.00 O ATOM 969 CB GLU A 65 -3.381 12.948 2.464 1.00 0.00 C ATOM 970 CG GLU A 65 -4.899 12.928 2.411 1.00 0.00 C ATOM 971 CD GLU A 65 -5.449 13.599 1.167 1.00 0.00 C ATOM 972 OE1 GLU A 65 -5.184 14.805 0.979 1.00 0.00 O ATOM 973 OE2 GLU A 65 -6.143 12.919 0.384 1.00 0.00 O ATOM 0 H GLU A 65 -4.041 10.797 1.454 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.905 13.090 0.373 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.048 12.362 3.320 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.045 13.972 2.629 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -5.246 11.895 2.446 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.296 13.428 3.294 1.00 0.00 H new ATOM 980 N GLY A 66 -0.499 13.383 1.107 1.00 0.00 N ATOM 981 CA GLY A 66 0.943 13.394 1.267 1.00 0.00 C ATOM 982 C GLY A 66 1.365 13.480 2.720 1.00 0.00 C ATOM 983 O GLY A 66 2.509 13.177 3.061 1.00 0.00 O ATOM 0 H GLY A 66 -0.898 14.254 0.757 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.361 12.491 0.823 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.360 14.240 0.720 1.00 0.00 H new ATOM 987 N ASP A 67 0.441 13.896 3.579 1.00 0.00 N ATOM 988 CA ASP A 67 0.723 14.023 5.004 1.00 0.00 C ATOM 989 C ASP A 67 0.235 12.795 5.766 1.00 0.00 C ATOM 990 O ASP A 67 0.621 12.569 6.912 1.00 0.00 O ATOM 991 CB ASP A 67 0.063 15.283 5.566 1.00 0.00 C ATOM 992 CG ASP A 67 0.943 16.509 5.426 1.00 0.00 C ATOM 993 OD1 ASP A 67 1.103 16.998 4.287 1.00 0.00 O ATOM 994 OD2 ASP A 67 1.471 16.981 6.454 1.00 0.00 O ATOM 0 H ASP A 67 -0.510 14.151 3.313 1.00 0.00 H new ATOM 0 HA ASP A 67 1.803 14.101 5.130 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -0.881 15.456 5.050 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.173 15.127 6.619 1.00 0.00 H new ATOM 999 N ARG A 68 -0.618 12.005 5.121 1.00 0.00 N ATOM 1000 CA ARG A 68 -1.161 10.801 5.738 1.00 0.00 C ATOM 1001 C ARG A 68 -0.236 9.609 5.512 1.00 0.00 C ATOM 1002 O ARG A 68 0.180 9.338 4.385 1.00 0.00 O ATOM 1003 CB ARG A 68 -2.550 10.496 5.175 1.00 0.00 C ATOM 1004 CG ARG A 68 -3.279 9.388 5.919 1.00 0.00 C ATOM 1005 CD ARG A 68 -4.786 9.587 5.878 1.00 0.00 C ATOM 1006 NE ARG A 68 -5.507 8.318 5.917 1.00 0.00 N ATOM 1007 CZ ARG A 68 -6.832 8.227 5.947 1.00 0.00 C ATOM 1008 NH1 ARG A 68 -7.576 9.324 5.941 1.00 0.00 N ATOM 1009 NH2 ARG A 68 -7.415 7.035 5.981 1.00 0.00 N ATOM 0 H ARG A 68 -0.948 12.178 4.171 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.242 10.978 6.811 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.154 11.403 5.209 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.454 10.216 4.126 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.026 8.424 5.477 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.942 9.362 6.955 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.093 10.204 6.722 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.055 10.129 4.972 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.964 7.455 5.921 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.131 10.242 5.913 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -8.593 9.251 5.964 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.846 6.189 5.984 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.432 6.965 6.004 1.00 0.00 H new ATOM 1023 N TYR A 69 0.084 8.902 6.590 1.00 0.00 N ATOM 1024 CA TYR A 69 0.962 7.741 6.510 1.00 0.00 C ATOM 1025 C TYR A 69 0.201 6.459 6.833 1.00 0.00 C ATOM 1026 O TYR A 69 0.790 5.466 7.260 1.00 0.00 O ATOM 1027 CB TYR A 69 2.143 7.902 7.469 1.00 0.00 C ATOM 1028 CG TYR A 69 3.273 8.734 6.904 1.00 0.00 C ATOM 1029 CD1 TYR A 69 3.019 9.935 6.254 1.00 0.00 C ATOM 1030 CD2 TYR A 69 4.593 8.319 7.023 1.00 0.00 C ATOM 1031 CE1 TYR A 69 4.048 10.698 5.736 1.00 0.00 C ATOM 1032 CE2 TYR A 69 5.629 9.076 6.510 1.00 0.00 C ATOM 1033 CZ TYR A 69 5.351 10.264 5.866 1.00 0.00 C ATOM 1034 OH TYR A 69 6.379 11.022 5.353 1.00 0.00 O ATOM 0 H TYR A 69 -0.252 9.113 7.530 1.00 0.00 H new ATOM 0 HA TYR A 69 1.338 7.671 5.489 1.00 0.00 H new ATOM 0 HB2 TYR A 69 1.791 8.362 8.392 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.525 6.915 7.730 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.000 10.278 6.152 1.00 0.00 H new ATOM 0 HD2 TYR A 69 4.814 7.389 7.525 1.00 0.00 H new ATOM 0 HE1 TYR A 69 3.833 11.629 5.232 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.650 8.740 6.613 1.00 0.00 H new ATOM 0 HH TYR A 69 7.069 11.145 6.038 1.00 0.00 H new ATOM 1044 N TRP A 70 -1.110 6.489 6.625 1.00 0.00 N ATOM 1045 CA TRP A 70 -1.953 5.329 6.892 1.00 0.00 C ATOM 1046 C TRP A 70 -3.098 5.244 5.889 1.00 0.00 C ATOM 1047 O TRP A 70 -3.593 6.265 5.411 1.00 0.00 O ATOM 1048 CB TRP A 70 -2.509 5.395 8.316 1.00 0.00 C ATOM 1049 CG TRP A 70 -3.645 6.362 8.465 1.00 0.00 C ATOM 1050 CD1 TRP A 70 -3.552 7.711 8.661 1.00 0.00 C ATOM 1051 CD2 TRP A 70 -5.042 6.055 8.433 1.00 0.00 C ATOM 1052 NE1 TRP A 70 -4.808 8.260 8.752 1.00 0.00 N ATOM 1053 CE2 TRP A 70 -5.740 7.265 8.615 1.00 0.00 C ATOM 1054 CE3 TRP A 70 -5.773 4.875 8.266 1.00 0.00 C ATOM 1055 CZ2 TRP A 70 -7.130 7.327 8.635 1.00 0.00 C ATOM 1056 CZ3 TRP A 70 -7.153 4.938 8.287 1.00 0.00 C ATOM 1057 CH2 TRP A 70 -7.820 6.156 8.469 1.00 0.00 C ATOM 0 H TRP A 70 -1.613 7.304 6.272 1.00 0.00 H new ATOM 0 HA TRP A 70 -1.339 4.434 6.789 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -2.845 4.402 8.614 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.708 5.678 8.999 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -2.627 8.264 8.734 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -5.014 9.248 8.898 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -5.268 3.931 8.123 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -7.646 8.265 8.776 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -7.727 4.032 8.161 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -8.900 6.172 8.479 1.00 0.00 H new ATOM 1068 N HIS A 71 -3.514 4.022 5.574 1.00 0.00 N ATOM 1069 CA HIS A 71 -4.602 3.805 4.627 1.00 0.00 C ATOM 1070 C HIS A 71 -5.244 2.438 4.841 1.00 0.00 C ATOM 1071 O HIS A 71 -4.572 1.478 5.219 1.00 0.00 O ATOM 1072 CB HIS A 71 -4.088 3.922 3.192 1.00 0.00 C ATOM 1073 CG HIS A 71 -5.175 3.893 2.162 1.00 0.00 C ATOM 1074 ND1 HIS A 71 -5.536 2.929 1.283 1.00 0.00 N flip ATOM 1075 CD2 HIS A 71 -6.038 4.947 1.948 1.00 0.00 C flip ATOM 1076 CE1 HIS A 71 -6.600 3.414 0.562 1.00 0.00 C flip ATOM 1077 NE2 HIS A 71 -6.883 4.633 0.984 1.00 0.00 N flip ATOM 0 H HIS A 71 -3.114 3.167 5.960 1.00 0.00 H new ATOM 0 HA HIS A 71 -5.358 4.572 4.797 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -3.527 4.851 3.090 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -3.392 3.106 2.997 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.025 5.884 2.486 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -7.120 2.885 -0.222 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -7.628 5.230 0.626 1.00 0.00 H new ATOM 1086 N SER A 72 -6.548 2.357 4.597 1.00 0.00 N ATOM 1087 CA SER A 72 -7.281 1.108 4.767 1.00 0.00 C ATOM 1088 C SER A 72 -7.977 0.706 3.470 1.00 0.00 C ATOM 1089 O SER A 72 -8.929 1.355 3.037 1.00 0.00 O ATOM 1090 CB SER A 72 -8.311 1.246 5.890 1.00 0.00 C ATOM 1091 OG SER A 72 -9.293 2.215 5.566 1.00 0.00 O ATOM 0 H SER A 72 -7.118 3.141 4.281 1.00 0.00 H new ATOM 0 HA SER A 72 -6.566 0.329 5.032 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.790 0.283 6.068 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.809 1.528 6.815 1.00 0.00 H new ATOM 0 HG SER A 72 -9.537 2.130 4.621 1.00 0.00 H new ATOM 1097 N ILE A 73 -7.495 -0.369 2.856 1.00 0.00 N ATOM 1098 CA ILE A 73 -8.070 -0.860 1.610 1.00 0.00 C ATOM 1099 C ILE A 73 -9.391 -1.579 1.860 1.00 0.00 C ATOM 1100 O ILE A 73 -9.612 -2.138 2.935 1.00 0.00 O ATOM 1101 CB ILE A 73 -7.107 -1.816 0.883 1.00 0.00 C ATOM 1102 CG1 ILE A 73 -5.697 -1.224 0.845 1.00 0.00 C ATOM 1103 CG2 ILE A 73 -7.606 -2.101 -0.525 1.00 0.00 C ATOM 1104 CD1 ILE A 73 -4.616 -2.252 0.595 1.00 0.00 C ATOM 0 H ILE A 73 -6.707 -0.917 3.201 1.00 0.00 H new ATOM 0 HA ILE A 73 -8.247 0.011 0.980 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.070 -2.757 1.432 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.652 -0.464 0.065 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.497 -0.721 1.791 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.914 -2.778 -1.026 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.593 -2.561 -0.475 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -7.669 -1.168 -1.085 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.643 -1.761 0.581 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.634 -2.999 1.388 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -4.791 -2.738 -0.365 1.00 0.00 H new ATOM 1116 N SER A 74 -10.266 -1.563 0.860 1.00 0.00 N ATOM 1117 CA SER A 74 -11.567 -2.212 0.971 1.00 0.00 C ATOM 1118 C SER A 74 -11.910 -2.965 -0.311 1.00 0.00 C ATOM 1119 O SER A 74 -11.139 -2.964 -1.270 1.00 0.00 O ATOM 1120 CB SER A 74 -12.653 -1.178 1.275 1.00 0.00 C ATOM 1121 OG SER A 74 -12.165 -0.166 2.140 1.00 0.00 O ATOM 0 H SER A 74 -10.098 -1.107 -0.037 1.00 0.00 H new ATOM 0 HA SER A 74 -11.519 -2.929 1.791 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.003 -0.729 0.345 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.511 -1.670 1.733 1.00 0.00 H new ATOM 0 HG SER A 74 -12.877 0.483 2.318 1.00 0.00 H new ATOM 1127 N HIS A 75 -13.074 -3.607 -0.319 1.00 0.00 N ATOM 1128 CA HIS A 75 -13.522 -4.364 -1.483 1.00 0.00 C ATOM 1129 C HIS A 75 -12.536 -5.479 -1.817 1.00 0.00 C ATOM 1130 O HIS A 75 -12.176 -5.676 -2.978 1.00 0.00 O ATOM 1131 CB HIS A 75 -13.689 -3.437 -2.687 1.00 0.00 C ATOM 1132 CG HIS A 75 -14.784 -2.429 -2.520 1.00 0.00 C ATOM 1133 ND1 HIS A 75 -15.109 -1.641 -1.469 1.00 0.00 N flip ATOM 1134 CD2 HIS A 75 -15.700 -2.142 -3.510 1.00 0.00 C flip ATOM 1135 CE1 HIS A 75 -16.203 -0.898 -1.839 1.00 0.00 C flip ATOM 1136 NE2 HIS A 75 -16.540 -1.219 -3.075 1.00 0.00 N flip ATOM 0 H HIS A 75 -13.724 -3.618 0.467 1.00 0.00 H new ATOM 0 HA HIS A 75 -14.486 -4.814 -1.245 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -12.749 -2.914 -2.866 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -13.892 -4.039 -3.573 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -15.727 -2.600 -4.488 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -16.706 -0.170 -1.220 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -17.317 -0.822 -3.604 1.00 0.00 H new ATOM 1145 N LEU A 76 -12.102 -6.205 -0.793 1.00 0.00 N ATOM 1146 CA LEU A 76 -11.157 -7.301 -0.978 1.00 0.00 C ATOM 1147 C LEU A 76 -11.836 -8.649 -0.759 1.00 0.00 C ATOM 1148 O LEU A 76 -13.044 -8.716 -0.536 1.00 0.00 O ATOM 1149 CB LEU A 76 -9.976 -7.150 -0.016 1.00 0.00 C ATOM 1150 CG LEU A 76 -9.417 -5.735 0.143 1.00 0.00 C ATOM 1151 CD1 LEU A 76 -8.750 -5.575 1.500 1.00 0.00 C ATOM 1152 CD2 LEU A 76 -8.436 -5.421 -0.977 1.00 0.00 C ATOM 0 H LEU A 76 -12.389 -6.055 0.174 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.790 -7.262 -2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -10.284 -7.510 0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.171 -7.801 -0.356 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.244 -5.028 0.083 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.358 -4.562 1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.480 -5.757 2.288 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.933 -6.290 1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.048 -4.411 -0.848 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.611 -6.133 -0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.945 -5.494 -1.938 1.00 0.00 H new ATOM 1164 N GLN A 77 -11.050 -9.719 -0.823 1.00 0.00 N ATOM 1165 CA GLN A 77 -11.576 -11.065 -0.630 1.00 0.00 C ATOM 1166 C GLN A 77 -11.270 -11.573 0.775 1.00 0.00 C ATOM 1167 O GLN A 77 -10.205 -11.316 1.336 1.00 0.00 O ATOM 1168 CB GLN A 77 -10.986 -12.020 -1.670 1.00 0.00 C ATOM 1169 CG GLN A 77 -11.097 -11.508 -3.097 1.00 0.00 C ATOM 1170 CD GLN A 77 -10.085 -10.424 -3.409 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -9.240 -10.089 -2.578 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -10.165 -9.867 -4.612 1.00 0.00 N ATOM 0 H GLN A 77 -10.047 -9.680 -1.007 1.00 0.00 H new ATOM 0 HA GLN A 77 -12.658 -11.026 -0.755 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -9.936 -12.195 -1.436 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -11.493 -12.982 -1.597 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.958 -12.339 -3.789 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -12.102 -11.120 -3.262 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -10.881 -10.175 -5.270 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -9.510 -9.131 -4.878 1.00 0.00 H new ATOM 1181 N PRO A 78 -12.226 -12.311 1.359 1.00 0.00 N ATOM 1182 CA PRO A 78 -12.082 -12.871 2.706 1.00 0.00 C ATOM 1183 C PRO A 78 -11.048 -13.990 2.761 1.00 0.00 C ATOM 1184 O PRO A 78 -10.825 -14.690 1.774 1.00 0.00 O ATOM 1185 CB PRO A 78 -13.478 -13.418 3.014 1.00 0.00 C ATOM 1186 CG PRO A 78 -14.079 -13.697 1.680 1.00 0.00 C ATOM 1187 CD PRO A 78 -13.521 -12.657 0.748 1.00 0.00 C ATOM 0 HA PRO A 78 -11.733 -12.126 3.422 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -13.424 -14.322 3.621 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -14.072 -12.695 3.572 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.826 -14.701 1.340 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -15.167 -13.640 1.722 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -13.397 -13.048 -0.262 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -14.176 -11.789 0.676 1.00 0.00 H new ATOM 1195 N GLU A 79 -10.419 -14.151 3.921 1.00 0.00 N ATOM 1196 CA GLU A 79 -9.407 -15.185 4.104 1.00 0.00 C ATOM 1197 C GLU A 79 -8.621 -15.411 2.815 1.00 0.00 C ATOM 1198 O GLU A 79 -8.367 -16.550 2.420 1.00 0.00 O ATOM 1199 CB GLU A 79 -10.060 -16.495 4.552 1.00 0.00 C ATOM 1200 CG GLU A 79 -11.451 -16.709 3.980 1.00 0.00 C ATOM 1201 CD GLU A 79 -11.930 -18.140 4.130 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -11.697 -18.733 5.204 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -12.537 -18.666 3.174 1.00 0.00 O ATOM 0 H GLU A 79 -10.592 -13.579 4.748 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.716 -14.849 4.877 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -9.423 -17.328 4.256 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -10.118 -16.509 5.640 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.152 -16.041 4.480 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -11.451 -16.439 2.924 1.00 0.00 H new ATOM 1210 N THR A 80 -8.240 -14.318 2.162 1.00 0.00 N ATOM 1211 CA THR A 80 -7.486 -14.395 0.917 1.00 0.00 C ATOM 1212 C THR A 80 -6.074 -13.847 1.095 1.00 0.00 C ATOM 1213 O THR A 80 -5.872 -12.634 1.152 1.00 0.00 O ATOM 1214 CB THR A 80 -8.187 -13.619 -0.214 1.00 0.00 C ATOM 1215 OG1 THR A 80 -9.500 -14.148 -0.429 1.00 0.00 O ATOM 1216 CG2 THR A 80 -7.384 -13.699 -1.503 1.00 0.00 C ATOM 0 H THR A 80 -8.441 -13.368 2.475 1.00 0.00 H new ATOM 0 HA THR A 80 -7.432 -15.449 0.645 1.00 0.00 H new ATOM 0 HB THR A 80 -8.262 -12.573 0.084 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.057 -13.972 0.358 1.00 0.00 H new ATOM 0 HG21 THR A 80 -7.899 -13.144 -2.287 1.00 0.00 H new ATOM 0 HG22 THR A 80 -6.395 -13.269 -1.343 1.00 0.00 H new ATOM 0 HG23 THR A 80 -7.282 -14.742 -1.804 1.00 0.00 H new ATOM 1224 N SER A 81 -5.101 -14.748 1.182 1.00 0.00 N ATOM 1225 CA SER A 81 -3.708 -14.354 1.357 1.00 0.00 C ATOM 1226 C SER A 81 -3.115 -13.855 0.042 1.00 0.00 C ATOM 1227 O SER A 81 -2.750 -14.648 -0.827 1.00 0.00 O ATOM 1228 CB SER A 81 -2.886 -15.530 1.887 1.00 0.00 C ATOM 1229 OG SER A 81 -1.766 -15.077 2.628 1.00 0.00 O ATOM 0 H SER A 81 -5.252 -15.756 1.134 1.00 0.00 H new ATOM 0 HA SER A 81 -3.674 -13.541 2.082 1.00 0.00 H new ATOM 0 HB2 SER A 81 -3.512 -16.160 2.518 1.00 0.00 H new ATOM 0 HB3 SER A 81 -2.549 -16.147 1.054 1.00 0.00 H new ATOM 0 HG SER A 81 -1.258 -15.848 2.957 1.00 0.00 H new ATOM 1235 N TYR A 82 -3.023 -12.538 -0.096 1.00 0.00 N ATOM 1236 CA TYR A 82 -2.477 -11.932 -1.305 1.00 0.00 C ATOM 1237 C TYR A 82 -1.404 -10.903 -0.963 1.00 0.00 C ATOM 1238 O TYR A 82 -1.430 -10.296 0.108 1.00 0.00 O ATOM 1239 CB TYR A 82 -3.592 -11.272 -2.118 1.00 0.00 C ATOM 1240 CG TYR A 82 -4.434 -10.304 -1.317 1.00 0.00 C ATOM 1241 CD1 TYR A 82 -3.982 -9.018 -1.047 1.00 0.00 C ATOM 1242 CD2 TYR A 82 -5.680 -10.676 -0.829 1.00 0.00 C ATOM 1243 CE1 TYR A 82 -4.747 -8.131 -0.315 1.00 0.00 C ATOM 1244 CE2 TYR A 82 -6.453 -9.795 -0.097 1.00 0.00 C ATOM 1245 CZ TYR A 82 -5.982 -8.524 0.157 1.00 0.00 C ATOM 1246 OH TYR A 82 -6.748 -7.644 0.887 1.00 0.00 O ATOM 0 H TYR A 82 -3.319 -11.869 0.614 1.00 0.00 H new ATOM 0 HA TYR A 82 -2.020 -12.721 -1.901 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.150 -10.743 -2.963 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -4.238 -12.048 -2.530 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.016 -8.707 -1.416 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.051 -11.671 -1.025 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.380 -7.135 -0.113 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.420 -10.100 0.274 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.568 -8.092 1.184 1.00 0.00 H new ATOM 1256 N ASP A 83 -0.463 -10.712 -1.880 1.00 0.00 N ATOM 1257 CA ASP A 83 0.619 -9.755 -1.678 1.00 0.00 C ATOM 1258 C ASP A 83 0.091 -8.324 -1.706 1.00 0.00 C ATOM 1259 O ASP A 83 -0.875 -8.022 -2.407 1.00 0.00 O ATOM 1260 CB ASP A 83 1.695 -9.936 -2.750 1.00 0.00 C ATOM 1261 CG ASP A 83 2.374 -11.289 -2.666 1.00 0.00 C ATOM 1262 OD1 ASP A 83 2.115 -12.023 -1.690 1.00 0.00 O ATOM 1263 OD2 ASP A 83 3.164 -11.613 -3.577 1.00 0.00 O ATOM 0 H ASP A 83 -0.427 -11.207 -2.771 1.00 0.00 H new ATOM 0 HA ASP A 83 1.058 -9.942 -0.698 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.245 -9.819 -3.736 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.443 -9.150 -2.646 1.00 0.00 H new ATOM 1268 N ILE A 84 0.730 -7.449 -0.937 1.00 0.00 N ATOM 1269 CA ILE A 84 0.324 -6.050 -0.874 1.00 0.00 C ATOM 1270 C ILE A 84 1.538 -5.128 -0.826 1.00 0.00 C ATOM 1271 O ILE A 84 2.473 -5.352 -0.058 1.00 0.00 O ATOM 1272 CB ILE A 84 -0.563 -5.776 0.355 1.00 0.00 C ATOM 1273 CG1 ILE A 84 -1.826 -6.637 0.302 1.00 0.00 C ATOM 1274 CG2 ILE A 84 -0.924 -4.300 0.430 1.00 0.00 C ATOM 1275 CD1 ILE A 84 -2.391 -6.968 1.665 1.00 0.00 C ATOM 0 H ILE A 84 1.530 -7.683 -0.349 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.249 -5.846 -1.778 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.004 -6.039 1.253 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.586 -6.117 -0.280 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.601 -7.565 -0.224 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.551 -4.123 1.304 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.013 -3.706 0.510 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.467 -4.012 -0.470 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.285 -7.581 1.549 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.648 -7.517 2.244 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.648 -6.046 2.186 1.00 0.00 H new ATOM 1287 N LYS A 85 1.515 -4.087 -1.652 1.00 0.00 N ATOM 1288 CA LYS A 85 2.611 -3.127 -1.704 1.00 0.00 C ATOM 1289 C LYS A 85 2.092 -1.724 -2.003 1.00 0.00 C ATOM 1290 O LYS A 85 0.894 -1.525 -2.203 1.00 0.00 O ATOM 1291 CB LYS A 85 3.631 -3.542 -2.767 1.00 0.00 C ATOM 1292 CG LYS A 85 3.260 -3.099 -4.171 1.00 0.00 C ATOM 1293 CD LYS A 85 4.323 -3.499 -5.181 1.00 0.00 C ATOM 1294 CE LYS A 85 4.046 -4.876 -5.764 1.00 0.00 C ATOM 1295 NZ LYS A 85 5.201 -5.385 -6.556 1.00 0.00 N ATOM 0 H LYS A 85 0.749 -3.887 -2.295 1.00 0.00 H new ATOM 0 HA LYS A 85 3.097 -3.116 -0.728 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.604 -3.124 -2.508 1.00 0.00 H new ATOM 0 HB3 LYS A 85 3.737 -4.627 -2.753 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.304 -3.541 -4.453 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.128 -2.017 -4.189 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.359 -2.763 -5.984 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.302 -3.496 -4.702 1.00 0.00 H new ATOM 0 HE2 LYS A 85 3.823 -5.574 -4.957 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.162 -4.830 -6.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.973 -6.326 -6.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.398 -4.732 -7.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.039 -5.453 -5.944 1.00 0.00 H new ATOM 1309 N MET A 86 3.002 -0.755 -2.034 1.00 0.00 N ATOM 1310 CA MET A 86 2.635 0.628 -2.312 1.00 0.00 C ATOM 1311 C MET A 86 3.822 1.403 -2.875 1.00 0.00 C ATOM 1312 O MET A 86 4.947 0.904 -2.893 1.00 0.00 O ATOM 1313 CB MET A 86 2.124 1.308 -1.040 1.00 0.00 C ATOM 1314 CG MET A 86 3.145 1.334 0.087 1.00 0.00 C ATOM 1315 SD MET A 86 2.677 2.453 1.421 1.00 0.00 S ATOM 1316 CE MET A 86 2.387 3.966 0.509 1.00 0.00 C ATOM 0 H MET A 86 3.998 -0.903 -1.870 1.00 0.00 H new ATOM 0 HA MET A 86 1.840 0.624 -3.058 1.00 0.00 H new ATOM 0 HB2 MET A 86 1.831 2.331 -1.277 1.00 0.00 H new ATOM 0 HB3 MET A 86 1.228 0.791 -0.696 1.00 0.00 H new ATOM 0 HG2 MET A 86 3.264 0.327 0.487 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.114 1.635 -0.312 1.00 0.00 H new ATOM 0 HE1 MET A 86 2.681 4.820 1.119 1.00 0.00 H new ATOM 0 HE2 MET A 86 2.975 3.956 -0.409 1.00 0.00 H new ATOM 0 HE3 MET A 86 1.329 4.044 0.261 1.00 0.00 H new ATOM 1326 N GLN A 87 3.563 2.623 -3.335 1.00 0.00 N ATOM 1327 CA GLN A 87 4.611 3.465 -3.900 1.00 0.00 C ATOM 1328 C GLN A 87 4.229 4.939 -3.816 1.00 0.00 C ATOM 1329 O GLN A 87 3.064 5.299 -3.991 1.00 0.00 O ATOM 1330 CB GLN A 87 4.877 3.076 -5.355 1.00 0.00 C ATOM 1331 CG GLN A 87 5.666 4.120 -6.129 1.00 0.00 C ATOM 1332 CD GLN A 87 5.652 3.872 -7.624 1.00 0.00 C ATOM 1333 OE1 GLN A 87 6.474 3.119 -8.147 1.00 0.00 O ATOM 1334 NE2 GLN A 87 4.717 4.505 -8.322 1.00 0.00 N ATOM 0 H GLN A 87 2.637 3.050 -3.327 1.00 0.00 H new ATOM 0 HA GLN A 87 5.520 3.311 -3.318 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.421 2.132 -5.376 1.00 0.00 H new ATOM 0 HB3 GLN A 87 3.925 2.906 -5.857 1.00 0.00 H new ATOM 0 HG2 GLN A 87 5.253 5.108 -5.925 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.697 4.127 -5.775 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.056 5.120 -7.848 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.660 4.376 -9.332 1.00 0.00 H new ATOM 1343 N CYS A 88 5.216 5.786 -3.548 1.00 0.00 N ATOM 1344 CA CYS A 88 4.984 7.222 -3.441 1.00 0.00 C ATOM 1345 C CYS A 88 5.262 7.919 -4.769 1.00 0.00 C ATOM 1346 O CYS A 88 5.958 7.381 -5.630 1.00 0.00 O ATOM 1347 CB CYS A 88 5.863 7.821 -2.342 1.00 0.00 C ATOM 1348 SG CYS A 88 7.511 8.311 -2.902 1.00 0.00 S ATOM 0 H CYS A 88 6.185 5.503 -3.401 1.00 0.00 H new ATOM 0 HA CYS A 88 3.936 7.377 -3.183 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.359 8.692 -1.923 1.00 0.00 H new ATOM 0 HB3 CYS A 88 5.966 7.094 -1.537 1.00 0.00 H new ATOM 0 HG CYS A 88 8.179 8.808 -1.903 1.00 0.00 H new ATOM 1354 N PHE A 89 4.712 9.118 -4.928 1.00 0.00 N ATOM 1355 CA PHE A 89 4.898 9.888 -6.152 1.00 0.00 C ATOM 1356 C PHE A 89 4.921 11.385 -5.855 1.00 0.00 C ATOM 1357 O PHE A 89 4.462 11.827 -4.803 1.00 0.00 O ATOM 1358 CB PHE A 89 3.784 9.573 -7.153 1.00 0.00 C ATOM 1359 CG PHE A 89 2.468 10.207 -6.805 1.00 0.00 C ATOM 1360 CD1 PHE A 89 1.709 9.726 -5.750 1.00 0.00 C ATOM 1361 CD2 PHE A 89 1.990 11.285 -7.533 1.00 0.00 C ATOM 1362 CE1 PHE A 89 0.498 10.308 -5.427 1.00 0.00 C ATOM 1363 CE2 PHE A 89 0.780 11.871 -7.214 1.00 0.00 C ATOM 1364 CZ PHE A 89 0.032 11.381 -6.161 1.00 0.00 C ATOM 0 H PHE A 89 4.134 9.577 -4.224 1.00 0.00 H new ATOM 0 HA PHE A 89 5.857 9.606 -6.586 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.090 9.911 -8.143 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.653 8.492 -7.211 1.00 0.00 H new ATOM 0 HD1 PHE A 89 2.068 8.886 -5.173 1.00 0.00 H new ATOM 0 HD2 PHE A 89 2.569 11.671 -8.359 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.083 9.924 -4.602 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.419 12.712 -7.788 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.915 11.836 -5.912 1.00 0.00 H new ATOM 1374 N ASN A 90 5.461 12.159 -6.791 1.00 0.00 N ATOM 1375 CA ASN A 90 5.546 13.606 -6.630 1.00 0.00 C ATOM 1376 C ASN A 90 5.537 14.306 -7.985 1.00 0.00 C ATOM 1377 O ASN A 90 5.454 13.658 -9.028 1.00 0.00 O ATOM 1378 CB ASN A 90 6.813 13.981 -5.858 1.00 0.00 C ATOM 1379 CG ASN A 90 8.017 14.138 -6.765 1.00 0.00 C ATOM 1380 OD1 ASN A 90 8.074 13.553 -7.847 1.00 0.00 O ATOM 1381 ND2 ASN A 90 8.988 14.931 -6.327 1.00 0.00 N ATOM 0 H ASN A 90 5.846 11.809 -7.668 1.00 0.00 H new ATOM 0 HA ASN A 90 4.674 13.935 -6.065 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.644 14.913 -5.318 1.00 0.00 H new ATOM 0 HB3 ASN A 90 7.021 13.214 -5.112 1.00 0.00 H new ATOM 0 HD21 ASN A 90 9.824 15.075 -6.894 1.00 0.00 H new ATOM 0 HD22 ASN A 90 8.898 15.396 -5.424 1.00 0.00 H new ATOM 1388 N GLU A 91 5.625 15.632 -7.961 1.00 0.00 N ATOM 1389 CA GLU A 91 5.627 16.419 -9.189 1.00 0.00 C ATOM 1390 C GLU A 91 6.644 15.870 -10.186 1.00 0.00 C ATOM 1391 O GLU A 91 6.423 15.903 -11.396 1.00 0.00 O ATOM 1392 CB GLU A 91 5.939 17.885 -8.881 1.00 0.00 C ATOM 1393 CG GLU A 91 6.318 18.698 -10.107 1.00 0.00 C ATOM 1394 CD GLU A 91 6.505 20.170 -9.797 1.00 0.00 C ATOM 1395 OE1 GLU A 91 5.634 20.749 -9.115 1.00 0.00 O ATOM 1396 OE2 GLU A 91 7.524 20.743 -10.236 1.00 0.00 O ATOM 0 H GLU A 91 5.696 16.184 -7.106 1.00 0.00 H new ATOM 0 HA GLU A 91 4.634 16.352 -9.635 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.069 18.341 -8.408 1.00 0.00 H new ATOM 0 HB3 GLU A 91 6.755 17.930 -8.159 1.00 0.00 H new ATOM 0 HG2 GLU A 91 7.240 18.300 -10.531 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.544 18.586 -10.866 1.00 0.00 H new ATOM 1403 N GLY A 92 7.759 15.366 -9.667 1.00 0.00 N ATOM 1404 CA GLY A 92 8.794 14.817 -10.524 1.00 0.00 C ATOM 1405 C GLY A 92 8.371 13.520 -11.186 1.00 0.00 C ATOM 1406 O GLY A 92 8.253 13.449 -12.408 1.00 0.00 O ATOM 0 H GLY A 92 7.964 15.328 -8.669 1.00 0.00 H new ATOM 0 HA2 GLY A 92 9.050 15.547 -11.292 1.00 0.00 H new ATOM 0 HA3 GLY A 92 9.695 14.644 -9.935 1.00 0.00 H new ATOM 1410 N GLY A 93 8.145 12.491 -10.376 1.00 0.00 N ATOM 1411 CA GLY A 93 7.738 11.203 -10.908 1.00 0.00 C ATOM 1412 C GLY A 93 7.462 10.186 -9.819 1.00 0.00 C ATOM 1413 O GLY A 93 7.528 10.506 -8.632 1.00 0.00 O ATOM 0 H GLY A 93 8.236 12.526 -9.361 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.843 11.331 -11.516 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.519 10.822 -11.567 1.00 0.00 H new ATOM 1417 N GLU A 94 7.151 8.959 -10.222 1.00 0.00 N ATOM 1418 CA GLU A 94 6.861 7.893 -9.270 1.00 0.00 C ATOM 1419 C GLU A 94 8.150 7.288 -8.722 1.00 0.00 C ATOM 1420 O GLU A 94 9.144 7.164 -9.437 1.00 0.00 O ATOM 1421 CB GLU A 94 6.015 6.803 -9.932 1.00 0.00 C ATOM 1422 CG GLU A 94 4.532 7.132 -9.985 1.00 0.00 C ATOM 1423 CD GLU A 94 3.773 6.246 -10.953 1.00 0.00 C ATOM 1424 OE1 GLU A 94 3.939 6.425 -12.178 1.00 0.00 O ATOM 1425 OE2 GLU A 94 3.012 5.373 -10.485 1.00 0.00 O ATOM 0 H GLU A 94 7.093 8.678 -11.201 1.00 0.00 H new ATOM 0 HA GLU A 94 6.300 8.324 -8.441 1.00 0.00 H new ATOM 0 HB2 GLU A 94 6.379 6.638 -10.946 1.00 0.00 H new ATOM 0 HB3 GLU A 94 6.152 5.868 -9.389 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.104 7.025 -8.988 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.405 8.175 -10.276 1.00 0.00 H new ATOM 1432 N SER A 95 8.126 6.914 -7.446 1.00 0.00 N ATOM 1433 CA SER A 95 9.293 6.326 -6.800 1.00 0.00 C ATOM 1434 C SER A 95 9.361 4.825 -7.062 1.00 0.00 C ATOM 1435 O SER A 95 8.547 4.277 -7.804 1.00 0.00 O ATOM 1436 CB SER A 95 9.255 6.591 -5.293 1.00 0.00 C ATOM 1437 OG SER A 95 8.555 5.563 -4.613 1.00 0.00 O ATOM 0 H SER A 95 7.311 7.008 -6.840 1.00 0.00 H new ATOM 0 HA SER A 95 10.184 6.791 -7.222 1.00 0.00 H new ATOM 0 HB2 SER A 95 10.272 6.660 -4.907 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.775 7.551 -5.101 1.00 0.00 H new ATOM 0 HG SER A 95 8.053 5.949 -3.865 1.00 0.00 H new ATOM 1443 N GLU A 96 10.339 4.167 -6.448 1.00 0.00 N ATOM 1444 CA GLU A 96 10.515 2.729 -6.616 1.00 0.00 C ATOM 1445 C GLU A 96 9.340 1.963 -6.014 1.00 0.00 C ATOM 1446 O GLU A 96 8.522 2.529 -5.288 1.00 0.00 O ATOM 1447 CB GLU A 96 11.822 2.273 -5.964 1.00 0.00 C ATOM 1448 CG GLU A 96 13.060 2.915 -6.568 1.00 0.00 C ATOM 1449 CD GLU A 96 14.345 2.272 -6.085 1.00 0.00 C ATOM 1450 OE1 GLU A 96 14.491 1.042 -6.249 1.00 0.00 O ATOM 1451 OE2 GLU A 96 15.205 2.997 -5.543 1.00 0.00 O ATOM 0 H GLU A 96 11.021 4.606 -5.830 1.00 0.00 H new ATOM 0 HA GLU A 96 10.556 2.517 -7.684 1.00 0.00 H new ATOM 0 HB2 GLU A 96 11.787 2.503 -4.899 1.00 0.00 H new ATOM 0 HB3 GLU A 96 11.904 1.190 -6.054 1.00 0.00 H new ATOM 0 HG2 GLU A 96 13.008 2.844 -7.654 1.00 0.00 H new ATOM 0 HG3 GLU A 96 13.073 3.976 -6.319 1.00 0.00 H new ATOM 1458 N PHE A 97 9.262 0.673 -6.323 1.00 0.00 N ATOM 1459 CA PHE A 97 8.187 -0.171 -5.815 1.00 0.00 C ATOM 1460 C PHE A 97 8.500 -0.661 -4.404 1.00 0.00 C ATOM 1461 O PHE A 97 9.477 -1.377 -4.187 1.00 0.00 O ATOM 1462 CB PHE A 97 7.965 -1.366 -6.744 1.00 0.00 C ATOM 1463 CG PHE A 97 7.103 -1.049 -7.933 1.00 0.00 C ATOM 1464 CD1 PHE A 97 7.246 0.152 -8.609 1.00 0.00 C ATOM 1465 CD2 PHE A 97 6.149 -1.952 -8.374 1.00 0.00 C ATOM 1466 CE1 PHE A 97 6.455 0.447 -9.703 1.00 0.00 C ATOM 1467 CE2 PHE A 97 5.356 -1.663 -9.468 1.00 0.00 C ATOM 1468 CZ PHE A 97 5.508 -0.462 -10.133 1.00 0.00 C ATOM 0 H PHE A 97 9.930 0.189 -6.923 1.00 0.00 H new ATOM 0 HA PHE A 97 7.276 0.427 -5.779 1.00 0.00 H new ATOM 0 HB2 PHE A 97 8.932 -1.729 -7.093 1.00 0.00 H new ATOM 0 HB3 PHE A 97 7.505 -2.176 -6.178 1.00 0.00 H new ATOM 0 HD1 PHE A 97 7.985 0.866 -8.277 1.00 0.00 H new ATOM 0 HD2 PHE A 97 6.024 -2.892 -7.857 1.00 0.00 H new ATOM 0 HE1 PHE A 97 6.577 1.387 -10.221 1.00 0.00 H new ATOM 0 HE2 PHE A 97 4.617 -2.376 -9.803 1.00 0.00 H new ATOM 0 HZ PHE A 97 4.888 -0.234 -10.987 1.00 0.00 H new ATOM 1478 N SER A 98 7.664 -0.268 -3.448 1.00 0.00 N ATOM 1479 CA SER A 98 7.853 -0.662 -2.057 1.00 0.00 C ATOM 1480 C SER A 98 7.968 -2.179 -1.934 1.00 0.00 C ATOM 1481 O SER A 98 7.791 -2.907 -2.909 1.00 0.00 O ATOM 1482 CB SER A 98 6.693 -0.156 -1.199 1.00 0.00 C ATOM 1483 OG SER A 98 6.955 -0.351 0.180 1.00 0.00 O ATOM 0 H SER A 98 6.849 0.323 -3.612 1.00 0.00 H new ATOM 0 HA SER A 98 8.781 -0.214 -1.701 1.00 0.00 H new ATOM 0 HB2 SER A 98 6.527 0.903 -1.395 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.777 -0.678 -1.476 1.00 0.00 H new ATOM 0 HG SER A 98 7.521 0.377 0.512 1.00 0.00 H new ATOM 1489 N ASN A 99 8.265 -2.647 -0.726 1.00 0.00 N ATOM 1490 CA ASN A 99 8.404 -4.077 -0.473 1.00 0.00 C ATOM 1491 C ASN A 99 7.068 -4.792 -0.647 1.00 0.00 C ATOM 1492 O ASN A 99 6.037 -4.159 -0.874 1.00 0.00 O ATOM 1493 CB ASN A 99 8.943 -4.316 0.938 1.00 0.00 C ATOM 1494 CG ASN A 99 8.336 -3.371 1.957 1.00 0.00 C ATOM 1495 OD1 ASN A 99 8.459 -2.152 1.840 1.00 0.00 O ATOM 1496 ND2 ASN A 99 7.676 -3.931 2.964 1.00 0.00 N ATOM 0 H ASN A 99 8.414 -2.057 0.093 1.00 0.00 H new ATOM 0 HA ASN A 99 9.110 -4.482 -1.198 1.00 0.00 H new ATOM 0 HB2 ASN A 99 8.737 -5.345 1.233 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.026 -4.196 0.935 1.00 0.00 H new ATOM 0 HD21 ASN A 99 7.246 -3.346 3.680 1.00 0.00 H new ATOM 0 HD22 ASN A 99 7.599 -4.946 3.021 1.00 0.00 H new ATOM 1503 N VAL A 100 7.094 -6.117 -0.540 1.00 0.00 N ATOM 1504 CA VAL A 100 5.885 -6.919 -0.684 1.00 0.00 C ATOM 1505 C VAL A 100 5.457 -7.513 0.654 1.00 0.00 C ATOM 1506 O VAL A 100 6.124 -8.395 1.194 1.00 0.00 O ATOM 1507 CB VAL A 100 6.086 -8.060 -1.699 1.00 0.00 C ATOM 1508 CG1 VAL A 100 4.792 -8.835 -1.895 1.00 0.00 C ATOM 1509 CG2 VAL A 100 6.595 -7.511 -3.023 1.00 0.00 C ATOM 0 H VAL A 100 7.939 -6.657 -0.354 1.00 0.00 H new ATOM 0 HA VAL A 100 5.104 -6.252 -1.049 1.00 0.00 H new ATOM 0 HB VAL A 100 6.835 -8.746 -1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 100 4.954 -9.637 -2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.475 -9.261 -0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 100 4.018 -8.163 -2.267 1.00 0.00 H new ATOM 0 HG21 VAL A 100 6.731 -8.331 -3.728 1.00 0.00 H new ATOM 0 HG22 VAL A 100 5.871 -6.803 -3.426 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.548 -7.006 -2.865 1.00 0.00 H new ATOM 1519 N MET A 101 4.340 -7.024 1.182 1.00 0.00 N ATOM 1520 CA MET A 101 3.822 -7.509 2.456 1.00 0.00 C ATOM 1521 C MET A 101 2.624 -8.428 2.242 1.00 0.00 C ATOM 1522 O MET A 101 1.698 -8.093 1.503 1.00 0.00 O ATOM 1523 CB MET A 101 3.424 -6.332 3.349 1.00 0.00 C ATOM 1524 CG MET A 101 4.556 -5.349 3.599 1.00 0.00 C ATOM 1525 SD MET A 101 5.816 -6.007 4.709 1.00 0.00 S ATOM 1526 CE MET A 101 5.162 -5.504 6.299 1.00 0.00 C ATOM 0 H MET A 101 3.777 -6.293 0.748 1.00 0.00 H new ATOM 0 HA MET A 101 4.610 -8.079 2.947 1.00 0.00 H new ATOM 0 HB2 MET A 101 2.590 -5.803 2.889 1.00 0.00 H new ATOM 0 HB3 MET A 101 3.069 -6.716 4.305 1.00 0.00 H new ATOM 0 HG2 MET A 101 5.018 -5.084 2.648 1.00 0.00 H new ATOM 0 HG3 MET A 101 4.148 -4.431 4.022 1.00 0.00 H new ATOM 0 HE1 MET A 101 5.888 -4.869 6.807 1.00 0.00 H new ATOM 0 HE2 MET A 101 4.235 -4.949 6.152 1.00 0.00 H new ATOM 0 HE3 MET A 101 4.964 -6.387 6.907 1.00 0.00 H new ATOM 1536 N ILE A 102 2.649 -9.586 2.892 1.00 0.00 N ATOM 1537 CA ILE A 102 1.564 -10.552 2.772 1.00 0.00 C ATOM 1538 C ILE A 102 0.606 -10.452 3.955 1.00 0.00 C ATOM 1539 O ILE A 102 0.858 -11.017 5.020 1.00 0.00 O ATOM 1540 CB ILE A 102 2.100 -11.993 2.681 1.00 0.00 C ATOM 1541 CG1 ILE A 102 2.988 -12.152 1.445 1.00 0.00 C ATOM 1542 CG2 ILE A 102 0.948 -12.986 2.644 1.00 0.00 C ATOM 1543 CD1 ILE A 102 3.765 -13.450 1.423 1.00 0.00 C ATOM 0 H ILE A 102 3.408 -9.878 3.507 1.00 0.00 H new ATOM 0 HA ILE A 102 1.029 -10.313 1.853 1.00 0.00 H new ATOM 0 HB ILE A 102 2.701 -12.198 3.567 1.00 0.00 H new ATOM 0 HG12 ILE A 102 2.367 -12.094 0.551 1.00 0.00 H new ATOM 0 HG13 ILE A 102 3.688 -11.318 1.401 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.343 -14.000 2.580 1.00 0.00 H new ATOM 0 HG22 ILE A 102 0.352 -12.886 3.551 1.00 0.00 H new ATOM 0 HG23 ILE A 102 0.322 -12.785 1.775 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.373 -13.495 0.519 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.412 -13.501 2.298 1.00 0.00 H new ATOM 0 HD13 ILE A 102 3.071 -14.290 1.436 1.00 0.00 H new ATOM 1555 N CYS A 103 -0.493 -9.733 3.759 1.00 0.00 N ATOM 1556 CA CYS A 103 -1.491 -9.560 4.810 1.00 0.00 C ATOM 1557 C CYS A 103 -2.756 -10.352 4.494 1.00 0.00 C ATOM 1558 O CYS A 103 -3.500 -10.009 3.577 1.00 0.00 O ATOM 1559 CB CYS A 103 -1.831 -8.079 4.980 1.00 0.00 C ATOM 1560 SG CYS A 103 -2.341 -7.626 6.654 1.00 0.00 S ATOM 0 H CYS A 103 -0.716 -9.260 2.883 1.00 0.00 H new ATOM 0 HA CYS A 103 -1.071 -9.938 5.742 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -0.961 -7.483 4.703 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -2.630 -7.819 4.285 1.00 0.00 H new ATOM 0 HG CYS A 103 -2.605 -6.354 6.698 1.00 0.00 H new ATOM 1566 N GLU A 104 -2.990 -11.413 5.260 1.00 0.00 N ATOM 1567 CA GLU A 104 -4.164 -12.254 5.060 1.00 0.00 C ATOM 1568 C GLU A 104 -5.409 -11.602 5.654 1.00 0.00 C ATOM 1569 O GLU A 104 -5.416 -11.192 6.815 1.00 0.00 O ATOM 1570 CB GLU A 104 -3.946 -13.631 5.691 1.00 0.00 C ATOM 1571 CG GLU A 104 -4.729 -14.742 5.013 1.00 0.00 C ATOM 1572 CD GLU A 104 -5.025 -15.900 5.946 1.00 0.00 C ATOM 1573 OE1 GLU A 104 -5.641 -15.666 7.006 1.00 0.00 O ATOM 1574 OE2 GLU A 104 -4.640 -17.042 5.615 1.00 0.00 O ATOM 0 H GLU A 104 -2.383 -11.710 6.024 1.00 0.00 H new ATOM 0 HA GLU A 104 -4.315 -12.373 3.987 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.884 -13.873 5.656 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.229 -13.588 6.743 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.667 -14.339 4.631 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.165 -15.107 4.154 1.00 0.00 H new ATOM 1581 N THR A 105 -6.462 -11.507 4.848 1.00 0.00 N ATOM 1582 CA THR A 105 -7.712 -10.904 5.291 1.00 0.00 C ATOM 1583 C THR A 105 -8.405 -11.776 6.332 1.00 0.00 C ATOM 1584 O THR A 105 -7.958 -12.885 6.625 1.00 0.00 O ATOM 1585 CB THR A 105 -8.674 -10.671 4.111 1.00 0.00 C ATOM 1586 OG1 THR A 105 -8.622 -11.783 3.211 1.00 0.00 O ATOM 1587 CG2 THR A 105 -8.318 -9.393 3.367 1.00 0.00 C ATOM 0 H THR A 105 -6.473 -11.841 3.884 1.00 0.00 H new ATOM 0 HA THR A 105 -7.457 -9.943 5.737 1.00 0.00 H new ATOM 0 HB THR A 105 -9.684 -10.572 4.508 1.00 0.00 H new ATOM 0 HG1 THR A 105 -8.891 -11.491 2.315 1.00 0.00 H new ATOM 0 HG21 THR A 105 -9.011 -9.250 2.538 1.00 0.00 H new ATOM 0 HG22 THR A 105 -8.386 -8.545 4.048 1.00 0.00 H new ATOM 0 HG23 THR A 105 -7.301 -9.468 2.981 1.00 0.00 H new ATOM 1595 N LYS A 106 -9.500 -11.268 6.888 1.00 0.00 N ATOM 1596 CA LYS A 106 -10.257 -12.002 7.896 1.00 0.00 C ATOM 1597 C LYS A 106 -11.172 -13.034 7.244 1.00 0.00 C ATOM 1598 O LYS A 106 -11.546 -12.898 6.080 1.00 0.00 O ATOM 1599 CB LYS A 106 -11.085 -11.035 8.746 1.00 0.00 C ATOM 1600 CG LYS A 106 -10.266 -9.913 9.361 1.00 0.00 C ATOM 1601 CD LYS A 106 -9.758 -10.288 10.744 1.00 0.00 C ATOM 1602 CE LYS A 106 -8.789 -9.246 11.282 1.00 0.00 C ATOM 1603 NZ LYS A 106 -9.496 -8.026 11.760 1.00 0.00 N ATOM 0 H LYS A 106 -9.883 -10.351 6.658 1.00 0.00 H new ATOM 0 HA LYS A 106 -9.548 -12.525 8.538 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.872 -10.603 8.128 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.577 -11.594 9.542 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -9.421 -9.680 8.713 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -10.875 -9.011 9.428 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.601 -10.390 11.427 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -9.264 -11.258 10.701 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -8.212 -9.675 12.101 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -8.080 -8.972 10.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -8.982 -7.180 11.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -10.461 -8.010 11.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -9.539 -8.035 12.799 1.00 0.00 H new ATOM 1617 N ALA A 107 -11.531 -14.063 8.004 1.00 0.00 N ATOM 1618 CA ALA A 107 -12.405 -15.116 7.501 1.00 0.00 C ATOM 1619 C ALA A 107 -13.858 -14.653 7.468 1.00 0.00 C ATOM 1620 O ALA A 107 -14.399 -14.204 8.478 1.00 0.00 O ATOM 1621 CB ALA A 107 -12.267 -16.369 8.354 1.00 0.00 C ATOM 0 H ALA A 107 -11.230 -14.190 8.970 1.00 0.00 H new ATOM 0 HA ALA A 107 -12.102 -15.350 6.480 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -12.925 -17.147 7.967 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.235 -16.718 8.323 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -12.542 -16.140 9.384 1.00 0.00 H new ATOM 1627 N ARG A 108 -14.483 -14.766 6.301 1.00 0.00 N ATOM 1628 CA ARG A 108 -15.873 -14.357 6.136 1.00 0.00 C ATOM 1629 C ARG A 108 -16.786 -15.148 7.068 1.00 0.00 C ATOM 1630 O ARG A 108 -17.298 -16.206 6.701 1.00 0.00 O ATOM 1631 CB ARG A 108 -16.315 -14.552 4.685 1.00 0.00 C ATOM 1632 CG ARG A 108 -15.826 -15.852 4.068 1.00 0.00 C ATOM 1633 CD ARG A 108 -16.689 -16.268 2.887 1.00 0.00 C ATOM 1634 NE ARG A 108 -16.701 -17.716 2.700 1.00 0.00 N ATOM 1635 CZ ARG A 108 -17.320 -18.322 1.694 1.00 0.00 C ATOM 1636 NH1 ARG A 108 -17.975 -17.609 0.788 1.00 0.00 N ATOM 1637 NH2 ARG A 108 -17.286 -19.645 1.592 1.00 0.00 N ATOM 0 H ARG A 108 -14.049 -15.137 5.456 1.00 0.00 H new ATOM 0 HA ARG A 108 -15.948 -13.300 6.392 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -17.404 -14.525 4.639 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -15.950 -13.716 4.088 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -14.793 -15.735 3.741 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -15.835 -16.639 4.822 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -17.708 -15.914 3.041 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -16.318 -15.789 1.981 1.00 0.00 H new ATOM 0 HE ARG A 108 -16.207 -18.294 3.380 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -18.004 -16.592 0.863 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -18.450 -18.077 0.016 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -16.784 -20.197 2.287 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -17.762 -20.109 0.819 1.00 0.00 H new ATOM 1651 N SER A 109 -16.985 -14.628 8.275 1.00 0.00 N ATOM 1652 CA SER A 109 -17.833 -15.288 9.261 1.00 0.00 C ATOM 1653 C SER A 109 -19.104 -14.483 9.510 1.00 0.00 C ATOM 1654 O SER A 109 -19.092 -13.253 9.468 1.00 0.00 O ATOM 1655 CB SER A 109 -17.071 -15.478 10.574 1.00 0.00 C ATOM 1656 OG SER A 109 -16.352 -16.699 10.575 1.00 0.00 O ATOM 0 H SER A 109 -16.571 -13.752 8.594 1.00 0.00 H new ATOM 0 HA SER A 109 -18.114 -16.265 8.867 1.00 0.00 H new ATOM 0 HB2 SER A 109 -16.382 -14.647 10.722 1.00 0.00 H new ATOM 0 HB3 SER A 109 -17.771 -15.464 11.409 1.00 0.00 H new ATOM 0 HG SER A 109 -15.872 -16.796 11.424 1.00 0.00 H new ATOM 1662 N GLY A 110 -20.202 -15.187 9.769 1.00 0.00 N ATOM 1663 CA GLY A 110 -21.468 -14.522 10.021 1.00 0.00 C ATOM 1664 C GLY A 110 -22.250 -15.171 11.145 1.00 0.00 C ATOM 1665 O GLY A 110 -21.772 -16.087 11.815 1.00 0.00 O ATOM 0 H GLY A 110 -20.238 -16.206 9.809 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -21.283 -13.477 10.268 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -22.068 -14.533 9.111 1.00 0.00 H new ATOM 1669 N PRO A 111 -23.482 -14.690 11.368 1.00 0.00 N ATOM 1670 CA PRO A 111 -24.358 -15.214 12.421 1.00 0.00 C ATOM 1671 C PRO A 111 -24.856 -16.622 12.113 1.00 0.00 C ATOM 1672 O PRO A 111 -25.621 -17.202 12.883 1.00 0.00 O ATOM 1673 CB PRO A 111 -25.526 -14.225 12.435 1.00 0.00 C ATOM 1674 CG PRO A 111 -25.549 -13.646 11.063 1.00 0.00 C ATOM 1675 CD PRO A 111 -24.116 -13.599 10.609 1.00 0.00 C ATOM 0 HA PRO A 111 -23.841 -15.298 13.377 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -26.466 -14.725 12.669 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -25.380 -13.451 13.189 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -26.151 -14.258 10.391 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -25.990 -12.649 11.067 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -24.030 -13.755 9.534 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -23.656 -12.636 10.830 1.00 0.00 H new ATOM 1683 N SER A 112 -24.416 -17.167 10.983 1.00 0.00 N ATOM 1684 CA SER A 112 -24.820 -18.506 10.572 1.00 0.00 C ATOM 1685 C SER A 112 -24.995 -19.417 11.784 1.00 0.00 C ATOM 1686 O SER A 112 -25.966 -20.167 11.875 1.00 0.00 O ATOM 1687 CB SER A 112 -23.785 -19.103 9.617 1.00 0.00 C ATOM 1688 OG SER A 112 -23.947 -18.592 8.305 1.00 0.00 O ATOM 0 H SER A 112 -23.780 -16.701 10.336 1.00 0.00 H new ATOM 0 HA SER A 112 -25.777 -18.428 10.057 1.00 0.00 H new ATOM 0 HB2 SER A 112 -22.781 -18.878 9.977 1.00 0.00 H new ATOM 0 HB3 SER A 112 -23.882 -20.189 9.602 1.00 0.00 H new ATOM 0 HG SER A 112 -23.273 -18.988 7.714 1.00 0.00 H new ATOM 1694 N SER A 113 -24.046 -19.344 12.713 1.00 0.00 N ATOM 1695 CA SER A 113 -24.092 -20.164 13.918 1.00 0.00 C ATOM 1696 C SER A 113 -24.894 -19.471 15.016 1.00 0.00 C ATOM 1697 O SER A 113 -24.531 -18.390 15.477 1.00 0.00 O ATOM 1698 CB SER A 113 -22.675 -20.458 14.414 1.00 0.00 C ATOM 1699 OG SER A 113 -21.951 -19.259 14.632 1.00 0.00 O ATOM 0 H SER A 113 -23.237 -18.726 12.654 1.00 0.00 H new ATOM 0 HA SER A 113 -24.585 -21.104 13.670 1.00 0.00 H new ATOM 0 HB2 SER A 113 -22.722 -21.031 15.340 1.00 0.00 H new ATOM 0 HB3 SER A 113 -22.151 -21.075 13.684 1.00 0.00 H new ATOM 0 HG SER A 113 -22.564 -18.557 14.935 1.00 0.00 H new ATOM 1705 N GLY A 114 -25.987 -20.104 15.430 1.00 0.00 N ATOM 1706 CA GLY A 114 -26.824 -19.535 16.470 1.00 0.00 C ATOM 1707 C GLY A 114 -28.295 -19.840 16.262 1.00 0.00 C ATOM 1708 O GLY A 114 -29.079 -18.950 15.933 1.00 0.00 O ATOM 0 H GLY A 114 -26.308 -21.000 15.064 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -26.509 -19.923 17.439 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -26.680 -18.455 16.497 1.00 0.00 H new TER 1712 GLY A 114