USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 770 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 23 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: B 27 GLN : amide:sc= -0.0578 K(o=-0.058,f=-0.81) USER MOD Set 2.1: A 34 HIS :FLIP no HD1:sc= -0.0332 F(o=-5.6,f=-2.9) USER MOD Set 2.2: A 39 MET CE :methyl 161:sc= -1.16 (180deg=-1.22) USER MOD Set 2.3: B 34 HIS :FLIP no HD1:sc= -0.111 F(o=-4.8,f=-2.9) USER MOD Set 2.4: B 39 MET CE :methyl 174:sc= -1.56 (180deg=-1.29) USER MOD Set 3.1: A 23 TYR OH : rot 180:sc= 0.715 USER MOD Set 3.2: A 27 GLN : amide:sc= 0.594 K(o=1.3,f=-1.7!) USER MOD Single : A 1 GLY N :NH3+ -110:sc= 0.176 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0454 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0501 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0859 USER MOD Single : A 8 GLN : amide:sc= -1.03 X(o=-1,f=-1) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -82:sc= 1.25 USER MOD Single : A 17 MET CE :methyl -162:sc= -0.404 (180deg=-1.67) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0339 K(o=-0.034,f=-1.1) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0.0154 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -162:sc= 1.63 (180deg=1.18) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= -0.323 K(o=-0.32,f=-8.2!) USER MOD Single : A 41 LYS NZ :NH3+ 168:sc= -0.0204 (180deg=-0.192) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 48 SER OG : rot 167:sc= 1.14 USER MOD Single : A 51 SER OG : rot 43:sc= 0.497 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 5 SER OG : rot 180:sc= 0.0694 USER MOD Single : B 6 SER OG : rot 180:sc= 0.0787 USER MOD Single : B 8 GLN : amide:sc= -0.963 K(o=-0.96,f=-1.8) USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD Single : B 11 SER OG : rot -81:sc= 1.19 USER MOD Single : B 17 MET CE :methyl -162:sc= 0 (180deg=-0.474) USER MOD Single : B 18 SER OG : rot 180:sc= 0 USER MOD Single : B 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 21 TYR OH : rot -40:sc= 1.13 USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 24 GLN : amide:sc= -0.0599 X(o=-0.06,f=0) USER MOD Single : B 28 LYS NZ :NH3+ -151:sc= 1.06 (180deg=0.515) USER MOD Single : B 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 36 ASN : amide:sc= -0.869 K(o=-0.87,f=-10!) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : B 48 SER OG : rot -41:sc= 0.0127 USER MOD Single : B 51 SER OG : rot 180:sc= 0.0227 USER MOD Single : B 52 SER OG : rot 97:sc= 0.0376 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -34.670 6.057 17.412 1.00 0.00 N ATOM 2 CA GLY A 1 -33.669 6.636 16.507 1.00 0.00 C ATOM 3 C GLY A 1 -34.196 6.632 15.090 1.00 0.00 C ATOM 4 O GLY A 1 -35.227 6.010 14.827 1.00 0.00 O ATOM 0 H1 GLY A 1 -35.064 6.805 18.018 1.00 0.00 H new ATOM 0 H2 GLY A 1 -35.434 5.626 16.854 1.00 0.00 H new ATOM 0 H3 GLY A 1 -34.222 5.330 18.006 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -33.434 7.655 16.814 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -32.742 6.065 16.562 1.00 0.00 H new ATOM 8 N SER A 2 -33.528 7.351 14.197 1.00 0.00 N ATOM 9 CA SER A 2 -33.872 7.470 12.787 1.00 0.00 C ATOM 10 C SER A 2 -32.572 7.717 12.012 1.00 0.00 C ATOM 11 O SER A 2 -31.506 7.829 12.620 1.00 0.00 O ATOM 12 CB SER A 2 -34.875 8.620 12.592 1.00 0.00 C ATOM 13 OG SER A 2 -35.963 8.517 13.497 1.00 0.00 O ATOM 0 H SER A 2 -32.698 7.889 14.446 1.00 0.00 H new ATOM 0 HA SER A 2 -34.347 6.561 12.418 1.00 0.00 H new ATOM 0 HB2 SER A 2 -34.369 9.575 12.736 1.00 0.00 H new ATOM 0 HB3 SER A 2 -35.249 8.609 11.568 1.00 0.00 H new ATOM 0 HG SER A 2 -36.582 9.262 13.350 1.00 0.00 H new ATOM 19 N SER A 3 -32.648 7.799 10.690 1.00 0.00 N ATOM 20 CA SER A 3 -31.504 8.032 9.827 1.00 0.00 C ATOM 21 C SER A 3 -31.964 8.817 8.598 1.00 0.00 C ATOM 22 O SER A 3 -33.159 9.087 8.445 1.00 0.00 O ATOM 23 CB SER A 3 -30.867 6.680 9.477 1.00 0.00 C ATOM 24 OG SER A 3 -31.826 5.717 9.077 1.00 0.00 O ATOM 0 H SER A 3 -33.526 7.703 10.180 1.00 0.00 H new ATOM 0 HA SER A 3 -30.740 8.631 10.323 1.00 0.00 H new ATOM 0 HB2 SER A 3 -30.141 6.820 8.676 1.00 0.00 H new ATOM 0 HB3 SER A 3 -30.319 6.305 10.341 1.00 0.00 H new ATOM 0 HG SER A 3 -31.374 4.874 8.863 1.00 0.00 H new ATOM 30 N GLY A 4 -31.020 9.219 7.747 1.00 0.00 N ATOM 31 CA GLY A 4 -31.282 9.964 6.527 1.00 0.00 C ATOM 32 C GLY A 4 -30.896 9.148 5.300 1.00 0.00 C ATOM 33 O GLY A 4 -30.648 7.945 5.391 1.00 0.00 O ATOM 0 H GLY A 4 -30.029 9.028 7.895 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -32.339 10.227 6.476 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -30.721 10.898 6.539 1.00 0.00 H new ATOM 37 N SER A 5 -30.888 9.800 4.138 1.00 0.00 N ATOM 38 CA SER A 5 -30.558 9.200 2.850 1.00 0.00 C ATOM 39 C SER A 5 -29.051 9.145 2.562 1.00 0.00 C ATOM 40 O SER A 5 -28.650 8.463 1.617 1.00 0.00 O ATOM 41 CB SER A 5 -31.287 9.991 1.756 1.00 0.00 C ATOM 42 OG SER A 5 -31.145 11.400 1.921 1.00 0.00 O ATOM 0 H SER A 5 -31.118 10.791 4.067 1.00 0.00 H new ATOM 0 HA SER A 5 -30.885 8.160 2.871 1.00 0.00 H new ATOM 0 HB2 SER A 5 -30.898 9.701 0.780 1.00 0.00 H new ATOM 0 HB3 SER A 5 -32.345 9.731 1.767 1.00 0.00 H new ATOM 0 HG SER A 5 -31.623 11.863 1.202 1.00 0.00 H new ATOM 48 N SER A 6 -28.235 9.854 3.340 1.00 0.00 N ATOM 49 CA SER A 6 -26.784 9.938 3.219 1.00 0.00 C ATOM 50 C SER A 6 -26.069 8.598 3.446 1.00 0.00 C ATOM 51 O SER A 6 -26.687 7.572 3.744 1.00 0.00 O ATOM 52 CB SER A 6 -26.302 11.024 4.198 1.00 0.00 C ATOM 53 OG SER A 6 -27.061 11.032 5.396 1.00 0.00 O ATOM 0 H SER A 6 -28.590 10.416 4.114 1.00 0.00 H new ATOM 0 HA SER A 6 -26.528 10.204 2.193 1.00 0.00 H new ATOM 0 HB2 SER A 6 -25.251 10.858 4.435 1.00 0.00 H new ATOM 0 HB3 SER A 6 -26.370 12.001 3.719 1.00 0.00 H new ATOM 0 HG SER A 6 -26.724 11.733 5.992 1.00 0.00 H new ATOM 59 N GLY A 7 -24.748 8.607 3.283 1.00 0.00 N ATOM 60 CA GLY A 7 -23.859 7.471 3.457 1.00 0.00 C ATOM 61 C GLY A 7 -22.461 8.008 3.740 1.00 0.00 C ATOM 62 O GLY A 7 -22.166 9.171 3.448 1.00 0.00 O ATOM 0 H GLY A 7 -24.247 9.453 3.012 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -24.200 6.843 4.280 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -23.855 6.849 2.562 1.00 0.00 H new ATOM 66 N GLN A 8 -21.582 7.181 4.283 1.00 0.00 N ATOM 67 CA GLN A 8 -20.206 7.502 4.638 1.00 0.00 C ATOM 68 C GLN A 8 -19.288 6.629 3.773 1.00 0.00 C ATOM 69 O GLN A 8 -19.762 5.984 2.829 1.00 0.00 O ATOM 70 CB GLN A 8 -19.998 7.233 6.143 1.00 0.00 C ATOM 71 CG GLN A 8 -20.933 7.972 7.116 1.00 0.00 C ATOM 72 CD GLN A 8 -22.381 7.476 7.091 1.00 0.00 C ATOM 73 OE1 GLN A 8 -22.667 6.289 7.217 1.00 0.00 O ATOM 74 NE2 GLN A 8 -23.340 8.366 6.906 1.00 0.00 N ATOM 0 H GLN A 8 -21.821 6.214 4.500 1.00 0.00 H new ATOM 0 HA GLN A 8 -19.976 8.552 4.455 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -20.107 6.162 6.315 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -18.970 7.494 6.396 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -20.542 7.868 8.128 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -20.921 9.036 6.878 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -23.106 9.353 6.801 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -24.314 8.066 6.868 1.00 0.00 H new ATOM 83 N LEU A 9 -17.975 6.605 4.044 1.00 0.00 N ATOM 84 CA LEU A 9 -17.043 5.767 3.277 1.00 0.00 C ATOM 85 C LEU A 9 -17.447 4.295 3.411 1.00 0.00 C ATOM 86 O LEU A 9 -17.148 3.499 2.525 1.00 0.00 O ATOM 87 CB LEU A 9 -15.583 5.955 3.724 1.00 0.00 C ATOM 88 CG LEU A 9 -14.826 6.994 2.879 1.00 0.00 C ATOM 89 CD1 LEU A 9 -15.379 8.406 3.086 1.00 0.00 C ATOM 90 CD2 LEU A 9 -13.341 6.964 3.249 1.00 0.00 C ATOM 0 H LEU A 9 -17.537 7.153 4.784 1.00 0.00 H new ATOM 0 HA LEU A 9 -17.102 6.078 2.234 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -15.565 6.262 4.770 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -15.064 4.998 3.664 1.00 0.00 H new ATOM 0 HG LEU A 9 -14.958 6.736 1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.818 9.110 2.472 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -16.430 8.431 2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -15.284 8.684 4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -12.802 7.699 2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.225 7.200 4.307 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.937 5.971 3.053 1.00 0.00 H new ATOM 102 N SER A 10 -18.175 3.940 4.473 1.00 0.00 N ATOM 103 CA SER A 10 -18.662 2.603 4.734 1.00 0.00 C ATOM 104 C SER A 10 -19.507 2.118 3.545 1.00 0.00 C ATOM 105 O SER A 10 -19.521 0.916 3.287 1.00 0.00 O ATOM 106 CB SER A 10 -19.437 2.599 6.064 1.00 0.00 C ATOM 107 OG SER A 10 -19.204 1.405 6.788 1.00 0.00 O ATOM 0 H SER A 10 -18.446 4.608 5.195 1.00 0.00 H new ATOM 0 HA SER A 10 -17.834 1.902 4.838 1.00 0.00 H new ATOM 0 HB2 SER A 10 -19.137 3.457 6.666 1.00 0.00 H new ATOM 0 HB3 SER A 10 -20.504 2.706 5.867 1.00 0.00 H new ATOM 0 HG SER A 10 -19.706 1.429 7.629 1.00 0.00 H new ATOM 113 N SER A 11 -20.183 3.004 2.802 1.00 0.00 N ATOM 114 CA SER A 11 -20.980 2.601 1.648 1.00 0.00 C ATOM 115 C SER A 11 -20.071 1.989 0.570 1.00 0.00 C ATOM 116 O SER A 11 -20.391 0.954 -0.009 1.00 0.00 O ATOM 117 CB SER A 11 -21.800 3.791 1.118 1.00 0.00 C ATOM 118 OG SER A 11 -21.022 4.931 0.769 1.00 0.00 O ATOM 0 H SER A 11 -20.190 4.007 2.985 1.00 0.00 H new ATOM 0 HA SER A 11 -21.693 1.833 1.948 1.00 0.00 H new ATOM 0 HB2 SER A 11 -22.362 3.468 0.242 1.00 0.00 H new ATOM 0 HB3 SER A 11 -22.528 4.081 1.875 1.00 0.00 H new ATOM 0 HG SER A 11 -20.829 5.455 1.575 1.00 0.00 H new ATOM 124 N GLU A 12 -18.909 2.602 0.332 1.00 0.00 N ATOM 125 CA GLU A 12 -17.921 2.177 -0.655 1.00 0.00 C ATOM 126 C GLU A 12 -17.349 0.802 -0.293 1.00 0.00 C ATOM 127 O GLU A 12 -17.059 -0.002 -1.179 1.00 0.00 O ATOM 128 CB GLU A 12 -16.796 3.228 -0.769 1.00 0.00 C ATOM 129 CG GLU A 12 -17.255 4.687 -0.965 1.00 0.00 C ATOM 130 CD GLU A 12 -17.912 4.990 -2.321 1.00 0.00 C ATOM 131 OE1 GLU A 12 -18.725 4.195 -2.853 1.00 0.00 O ATOM 132 OE2 GLU A 12 -17.613 6.058 -2.902 1.00 0.00 O ATOM 0 H GLU A 12 -18.623 3.438 0.841 1.00 0.00 H new ATOM 0 HA GLU A 12 -18.412 2.091 -1.624 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -16.185 3.178 0.132 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -16.153 2.954 -1.605 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -17.961 4.938 -0.173 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -16.392 5.342 -0.843 1.00 0.00 H new ATOM 139 N ILE A 13 -17.209 0.505 1.003 1.00 0.00 N ATOM 140 CA ILE A 13 -16.693 -0.775 1.487 1.00 0.00 C ATOM 141 C ILE A 13 -17.611 -1.892 0.974 1.00 0.00 C ATOM 142 O ILE A 13 -17.131 -2.899 0.453 1.00 0.00 O ATOM 143 CB ILE A 13 -16.576 -0.748 3.032 1.00 0.00 C ATOM 144 CG1 ILE A 13 -15.508 0.283 3.468 1.00 0.00 C ATOM 145 CG2 ILE A 13 -16.299 -2.130 3.644 1.00 0.00 C ATOM 146 CD1 ILE A 13 -15.302 0.377 4.985 1.00 0.00 C ATOM 0 H ILE A 13 -17.454 1.154 1.751 1.00 0.00 H new ATOM 0 HA ILE A 13 -15.689 -0.964 1.107 1.00 0.00 H new ATOM 0 HB ILE A 13 -17.548 -0.442 3.419 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -14.558 0.025 3.000 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -15.793 1.265 3.090 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -16.229 -2.040 4.728 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -17.111 -2.811 3.388 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -15.361 -2.521 3.251 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -14.537 1.122 5.203 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -16.238 0.668 5.462 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -14.984 -0.592 5.370 1.00 0.00 H new ATOM 158 N GLU A 14 -18.930 -1.711 1.078 1.00 0.00 N ATOM 159 CA GLU A 14 -19.909 -2.702 0.631 1.00 0.00 C ATOM 160 C GLU A 14 -19.871 -2.900 -0.890 1.00 0.00 C ATOM 161 O GLU A 14 -20.417 -3.883 -1.406 1.00 0.00 O ATOM 162 CB GLU A 14 -21.324 -2.300 1.067 1.00 0.00 C ATOM 163 CG GLU A 14 -21.469 -1.923 2.547 1.00 0.00 C ATOM 164 CD GLU A 14 -21.063 -2.993 3.565 1.00 0.00 C ATOM 165 OE1 GLU A 14 -20.772 -4.143 3.192 1.00 0.00 O ATOM 166 OE2 GLU A 14 -21.106 -2.657 4.776 1.00 0.00 O ATOM 0 H GLU A 14 -19.349 -0.870 1.476 1.00 0.00 H new ATOM 0 HA GLU A 14 -19.642 -3.649 1.100 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -21.648 -1.455 0.460 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -22.002 -3.126 0.851 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -20.871 -1.031 2.732 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -22.509 -1.654 2.731 1.00 0.00 H new ATOM 173 N ARG A 15 -19.269 -1.959 -1.628 1.00 0.00 N ATOM 174 CA ARG A 15 -19.134 -2.031 -3.079 1.00 0.00 C ATOM 175 C ARG A 15 -17.860 -2.787 -3.411 1.00 0.00 C ATOM 176 O ARG A 15 -17.868 -3.601 -4.338 1.00 0.00 O ATOM 177 CB ARG A 15 -19.181 -0.637 -3.717 1.00 0.00 C ATOM 178 CG ARG A 15 -20.522 0.051 -3.406 1.00 0.00 C ATOM 179 CD ARG A 15 -20.845 1.180 -4.378 1.00 0.00 C ATOM 180 NE ARG A 15 -21.119 0.648 -5.722 1.00 0.00 N ATOM 181 CZ ARG A 15 -21.077 1.335 -6.865 1.00 0.00 C ATOM 182 NH1 ARG A 15 -20.713 2.611 -6.870 1.00 0.00 N ATOM 183 NH2 ARG A 15 -21.376 0.722 -8.002 1.00 0.00 N ATOM 0 H ARG A 15 -18.858 -1.117 -1.224 1.00 0.00 H new ATOM 0 HA ARG A 15 -19.979 -2.574 -3.503 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -18.358 -0.030 -3.340 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -19.049 -0.719 -4.796 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -21.321 -0.690 -3.438 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -20.495 0.448 -2.391 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -21.710 1.739 -4.020 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -20.010 1.879 -4.422 1.00 0.00 H new ATOM 0 HE ARG A 15 -21.364 -0.340 -5.786 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -20.463 3.073 -5.996 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -20.683 3.129 -7.748 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -21.635 -0.265 -7.997 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -21.347 1.237 -8.882 1.00 0.00 H new ATOM 197 N LEU A 16 -16.791 -2.577 -2.640 1.00 0.00 N ATOM 198 CA LEU A 16 -15.521 -3.264 -2.841 1.00 0.00 C ATOM 199 C LEU A 16 -15.725 -4.770 -2.677 1.00 0.00 C ATOM 200 O LEU A 16 -15.113 -5.538 -3.418 1.00 0.00 O ATOM 201 CB LEU A 16 -14.460 -2.738 -1.864 1.00 0.00 C ATOM 202 CG LEU A 16 -13.894 -1.369 -2.264 1.00 0.00 C ATOM 203 CD1 LEU A 16 -13.087 -0.756 -1.115 1.00 0.00 C ATOM 204 CD2 LEU A 16 -12.976 -1.500 -3.480 1.00 0.00 C ATOM 0 H LEU A 16 -16.785 -1.923 -1.857 1.00 0.00 H new ATOM 0 HA LEU A 16 -15.162 -3.068 -3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.897 -2.666 -0.868 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.643 -3.457 -1.803 1.00 0.00 H new ATOM 0 HG LEU A 16 -14.740 -0.725 -2.504 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -12.696 0.214 -1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -13.731 -0.629 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -12.259 -1.417 -0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.585 -0.519 -3.748 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -12.148 -2.168 -3.241 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -13.540 -1.907 -4.319 1.00 0.00 H new ATOM 216 N MET A 17 -16.621 -5.198 -1.778 1.00 0.00 N ATOM 217 CA MET A 17 -16.901 -6.618 -1.572 1.00 0.00 C ATOM 218 C MET A 17 -17.422 -7.250 -2.862 1.00 0.00 C ATOM 219 O MET A 17 -17.033 -8.368 -3.201 1.00 0.00 O ATOM 220 CB MET A 17 -17.902 -6.831 -0.433 1.00 0.00 C ATOM 221 CG MET A 17 -17.319 -6.385 0.905 1.00 0.00 C ATOM 222 SD MET A 17 -18.291 -6.933 2.324 1.00 0.00 S ATOM 223 CE MET A 17 -17.823 -5.638 3.486 1.00 0.00 C ATOM 0 H MET A 17 -17.165 -4.575 -1.181 1.00 0.00 H new ATOM 0 HA MET A 17 -15.967 -7.105 -1.291 1.00 0.00 H new ATOM 0 HB2 MET A 17 -18.815 -6.273 -0.639 1.00 0.00 H new ATOM 0 HB3 MET A 17 -18.177 -7.884 -0.380 1.00 0.00 H new ATOM 0 HG2 MET A 17 -16.304 -6.771 0.998 1.00 0.00 H new ATOM 0 HG3 MET A 17 -17.249 -5.297 0.919 1.00 0.00 H new ATOM 0 HE1 MET A 17 -18.054 -5.959 4.502 1.00 0.00 H new ATOM 0 HE2 MET A 17 -16.754 -5.443 3.402 1.00 0.00 H new ATOM 0 HE3 MET A 17 -18.377 -4.727 3.258 1.00 0.00 H new ATOM 233 N SER A 18 -18.277 -6.534 -3.602 1.00 0.00 N ATOM 234 CA SER A 18 -18.822 -7.021 -4.860 1.00 0.00 C ATOM 235 C SER A 18 -17.706 -7.133 -5.907 1.00 0.00 C ATOM 236 O SER A 18 -17.849 -7.899 -6.866 1.00 0.00 O ATOM 237 CB SER A 18 -19.968 -6.105 -5.321 1.00 0.00 C ATOM 238 OG SER A 18 -20.541 -6.548 -6.537 1.00 0.00 O ATOM 0 H SER A 18 -18.605 -5.604 -3.340 1.00 0.00 H new ATOM 0 HA SER A 18 -19.237 -8.019 -4.723 1.00 0.00 H new ATOM 0 HB2 SER A 18 -20.737 -6.069 -4.549 1.00 0.00 H new ATOM 0 HB3 SER A 18 -19.593 -5.089 -5.445 1.00 0.00 H new ATOM 0 HG SER A 18 -21.266 -5.942 -6.797 1.00 0.00 H new ATOM 244 N GLN A 19 -16.620 -6.356 -5.792 1.00 0.00 N ATOM 245 CA GLN A 19 -15.519 -6.436 -6.745 1.00 0.00 C ATOM 246 C GLN A 19 -14.724 -7.726 -6.511 1.00 0.00 C ATOM 247 O GLN A 19 -14.168 -8.252 -7.476 1.00 0.00 O ATOM 248 CB GLN A 19 -14.605 -5.199 -6.701 1.00 0.00 C ATOM 249 CG GLN A 19 -15.335 -3.911 -7.129 1.00 0.00 C ATOM 250 CD GLN A 19 -14.386 -2.777 -7.530 1.00 0.00 C ATOM 251 OE1 GLN A 19 -13.244 -2.996 -7.933 1.00 0.00 O ATOM 252 NE2 GLN A 19 -14.829 -1.534 -7.484 1.00 0.00 N ATOM 0 H GLN A 19 -16.486 -5.670 -5.050 1.00 0.00 H new ATOM 0 HA GLN A 19 -15.948 -6.457 -7.747 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.217 -5.074 -5.690 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.748 -5.361 -7.354 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -15.993 -4.137 -7.968 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -15.968 -3.572 -6.309 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -15.774 -1.341 -7.152 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -14.226 -0.766 -7.781 1.00 0.00 H new ATOM 261 N GLY A 20 -14.689 -8.235 -5.275 1.00 0.00 N ATOM 262 CA GLY A 20 -13.992 -9.459 -4.900 1.00 0.00 C ATOM 263 C GLY A 20 -13.146 -9.316 -3.639 1.00 0.00 C ATOM 264 O GLY A 20 -12.869 -10.323 -2.986 1.00 0.00 O ATOM 0 H GLY A 20 -15.161 -7.789 -4.488 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.724 -10.253 -4.749 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.351 -9.770 -5.725 1.00 0.00 H new ATOM 268 N TYR A 21 -12.777 -8.093 -3.257 1.00 0.00 N ATOM 269 CA TYR A 21 -11.950 -7.843 -2.084 1.00 0.00 C ATOM 270 C TYR A 21 -12.679 -8.193 -0.783 1.00 0.00 C ATOM 271 O TYR A 21 -13.830 -7.799 -0.599 1.00 0.00 O ATOM 272 CB TYR A 21 -11.506 -6.378 -2.075 1.00 0.00 C ATOM 273 CG TYR A 21 -10.883 -5.895 -3.373 1.00 0.00 C ATOM 274 CD1 TYR A 21 -9.665 -6.439 -3.826 1.00 0.00 C ATOM 275 CD2 TYR A 21 -11.512 -4.878 -4.116 1.00 0.00 C ATOM 276 CE1 TYR A 21 -9.055 -5.943 -4.994 1.00 0.00 C ATOM 277 CE2 TYR A 21 -10.902 -4.367 -5.275 1.00 0.00 C ATOM 278 CZ TYR A 21 -9.665 -4.891 -5.713 1.00 0.00 C ATOM 279 OH TYR A 21 -9.057 -4.343 -6.802 1.00 0.00 O ATOM 0 H TYR A 21 -13.047 -7.246 -3.757 1.00 0.00 H new ATOM 0 HA TYR A 21 -11.075 -8.490 -2.142 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -12.369 -5.752 -1.847 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -10.787 -6.235 -1.268 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -9.197 -7.241 -3.274 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -12.467 -4.489 -3.794 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.123 -6.366 -5.339 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.379 -3.573 -5.831 1.00 0.00 H new ATOM 0 HH TYR A 21 -9.623 -3.633 -7.170 1.00 0.00 H new ATOM 289 N SER A 22 -12.039 -8.936 0.119 1.00 0.00 N ATOM 290 CA SER A 22 -12.631 -9.322 1.399 1.00 0.00 C ATOM 291 C SER A 22 -12.752 -8.101 2.313 1.00 0.00 C ATOM 292 O SER A 22 -11.947 -7.173 2.225 1.00 0.00 O ATOM 293 CB SER A 22 -11.744 -10.371 2.099 1.00 0.00 C ATOM 294 OG SER A 22 -11.066 -11.230 1.199 1.00 0.00 O ATOM 0 H SER A 22 -11.092 -9.288 -0.018 1.00 0.00 H new ATOM 0 HA SER A 22 -13.619 -9.740 1.206 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.011 -9.858 2.721 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.363 -10.972 2.766 1.00 0.00 H new ATOM 0 HG SER A 22 -10.521 -11.869 1.704 1.00 0.00 H new ATOM 300 N TYR A 23 -13.712 -8.107 3.241 1.00 0.00 N ATOM 301 CA TYR A 23 -13.915 -7.011 4.183 1.00 0.00 C ATOM 302 C TYR A 23 -12.663 -6.786 5.034 1.00 0.00 C ATOM 303 O TYR A 23 -12.324 -5.641 5.354 1.00 0.00 O ATOM 304 CB TYR A 23 -15.111 -7.307 5.091 1.00 0.00 C ATOM 305 CG TYR A 23 -15.364 -6.247 6.145 1.00 0.00 C ATOM 306 CD1 TYR A 23 -15.364 -4.883 5.797 1.00 0.00 C ATOM 307 CD2 TYR A 23 -15.541 -6.622 7.490 1.00 0.00 C ATOM 308 CE1 TYR A 23 -15.566 -3.903 6.778 1.00 0.00 C ATOM 309 CE2 TYR A 23 -15.775 -5.646 8.475 1.00 0.00 C ATOM 310 CZ TYR A 23 -15.785 -4.279 8.115 1.00 0.00 C ATOM 311 OH TYR A 23 -15.921 -3.305 9.047 1.00 0.00 O ATOM 0 H TYR A 23 -14.371 -8.876 3.358 1.00 0.00 H new ATOM 0 HA TYR A 23 -14.115 -6.105 3.611 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -16.004 -7.412 4.475 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -14.950 -8.265 5.585 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -15.208 -4.590 4.769 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -15.497 -7.665 7.767 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -15.553 -2.858 6.507 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -15.946 -5.939 9.500 1.00 0.00 H new ATOM 0 HH TYR A 23 -16.068 -3.712 9.926 1.00 0.00 H new ATOM 321 N GLN A 24 -11.982 -7.871 5.416 1.00 0.00 N ATOM 322 CA GLN A 24 -10.766 -7.804 6.209 1.00 0.00 C ATOM 323 C GLN A 24 -9.749 -6.964 5.426 1.00 0.00 C ATOM 324 O GLN A 24 -9.245 -5.965 5.927 1.00 0.00 O ATOM 325 CB GLN A 24 -10.197 -9.217 6.444 1.00 0.00 C ATOM 326 CG GLN A 24 -10.970 -10.075 7.454 1.00 0.00 C ATOM 327 CD GLN A 24 -10.573 -11.542 7.325 1.00 0.00 C ATOM 328 OE1 GLN A 24 -11.351 -12.378 6.861 1.00 0.00 O ATOM 329 NE2 GLN A 24 -9.357 -11.886 7.713 1.00 0.00 N ATOM 0 H GLN A 24 -12.266 -8.822 5.179 1.00 0.00 H new ATOM 0 HA GLN A 24 -10.976 -7.357 7.181 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.170 -9.743 5.490 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.166 -9.124 6.785 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.768 -9.725 8.466 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -12.042 -9.966 7.287 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.725 -11.182 8.095 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.050 -12.855 7.630 1.00 0.00 H new ATOM 338 N ASP A 25 -9.492 -7.373 4.180 1.00 0.00 N ATOM 339 CA ASP A 25 -8.582 -6.771 3.207 1.00 0.00 C ATOM 340 C ASP A 25 -8.902 -5.289 3.044 1.00 0.00 C ATOM 341 O ASP A 25 -8.034 -4.430 3.185 1.00 0.00 O ATOM 342 CB ASP A 25 -8.756 -7.496 1.852 1.00 0.00 C ATOM 343 CG ASP A 25 -7.466 -8.094 1.313 1.00 0.00 C ATOM 344 OD1 ASP A 25 -6.772 -8.810 2.065 1.00 0.00 O ATOM 345 OD2 ASP A 25 -7.198 -7.942 0.104 1.00 0.00 O ATOM 0 H ASP A 25 -9.952 -8.199 3.798 1.00 0.00 H new ATOM 0 HA ASP A 25 -7.553 -6.870 3.553 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.495 -8.289 1.966 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -9.154 -6.792 1.121 1.00 0.00 H new ATOM 350 N ILE A 26 -10.173 -4.981 2.771 1.00 0.00 N ATOM 351 CA ILE A 26 -10.663 -3.628 2.569 1.00 0.00 C ATOM 352 C ILE A 26 -10.273 -2.741 3.749 1.00 0.00 C ATOM 353 O ILE A 26 -9.678 -1.680 3.526 1.00 0.00 O ATOM 354 CB ILE A 26 -12.181 -3.636 2.279 1.00 0.00 C ATOM 355 CG1 ILE A 26 -12.485 -4.283 0.910 1.00 0.00 C ATOM 356 CG2 ILE A 26 -12.727 -2.198 2.295 1.00 0.00 C ATOM 357 CD1 ILE A 26 -13.929 -4.795 0.811 1.00 0.00 C ATOM 0 H ILE A 26 -10.903 -5.688 2.684 1.00 0.00 H new ATOM 0 HA ILE A 26 -10.189 -3.196 1.688 1.00 0.00 H new ATOM 0 HB ILE A 26 -12.667 -4.225 3.057 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -12.306 -3.554 0.119 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.797 -5.111 0.742 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -13.797 -2.213 2.090 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -12.552 -1.753 3.274 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -12.219 -1.608 1.532 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -14.091 -5.240 -0.171 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -14.103 -5.545 1.583 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -14.620 -3.964 0.950 1.00 0.00 H new ATOM 369 N GLN A 27 -10.622 -3.143 4.976 1.00 0.00 N ATOM 370 CA GLN A 27 -10.289 -2.355 6.149 1.00 0.00 C ATOM 371 C GLN A 27 -8.774 -2.293 6.319 1.00 0.00 C ATOM 372 O GLN A 27 -8.263 -1.185 6.424 1.00 0.00 O ATOM 373 CB GLN A 27 -10.992 -2.865 7.414 1.00 0.00 C ATOM 374 CG GLN A 27 -12.522 -2.688 7.391 1.00 0.00 C ATOM 375 CD GLN A 27 -13.038 -1.254 7.606 1.00 0.00 C ATOM 376 OE1 GLN A 27 -12.434 -0.254 7.216 1.00 0.00 O ATOM 377 NE2 GLN A 27 -14.194 -1.104 8.232 1.00 0.00 N ATOM 0 H GLN A 27 -11.131 -4.004 5.173 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.660 -1.342 5.994 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.760 -3.922 7.546 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.588 -2.340 8.279 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -12.895 -3.047 6.432 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.954 -3.328 8.161 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -14.706 -1.923 8.561 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -14.573 -0.170 8.386 1.00 0.00 H new ATOM 386 N LYS A 28 -8.043 -3.415 6.301 1.00 0.00 N ATOM 387 CA LYS A 28 -6.580 -3.438 6.458 1.00 0.00 C ATOM 388 C LYS A 28 -5.913 -2.413 5.537 1.00 0.00 C ATOM 389 O LYS A 28 -4.978 -1.728 5.954 1.00 0.00 O ATOM 390 CB LYS A 28 -6.032 -4.859 6.193 1.00 0.00 C ATOM 391 CG LYS A 28 -6.258 -5.818 7.378 1.00 0.00 C ATOM 392 CD LYS A 28 -6.222 -7.307 6.994 1.00 0.00 C ATOM 393 CE LYS A 28 -4.907 -7.802 6.378 1.00 0.00 C ATOM 394 NZ LYS A 28 -3.842 -8.089 7.355 1.00 0.00 N ATOM 0 H LYS A 28 -8.452 -4.341 6.176 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.342 -3.165 7.486 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.512 -5.268 5.304 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.965 -4.798 5.980 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.496 -5.630 8.135 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.222 -5.594 7.834 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.430 -7.899 7.886 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.029 -7.501 6.287 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.108 -8.706 5.803 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.545 -7.051 5.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.923 -8.118 6.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.826 -7.344 8.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.024 -9.008 7.807 1.00 0.00 H new ATOM 408 N ALA A 29 -6.381 -2.303 4.292 1.00 0.00 N ATOM 409 CA ALA A 29 -5.838 -1.364 3.317 1.00 0.00 C ATOM 410 C ALA A 29 -6.205 0.059 3.731 1.00 0.00 C ATOM 411 O ALA A 29 -5.342 0.932 3.726 1.00 0.00 O ATOM 412 CB ALA A 29 -6.352 -1.692 1.913 1.00 0.00 C ATOM 0 H ALA A 29 -7.151 -2.867 3.933 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.752 -1.449 3.291 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -5.937 -0.981 1.198 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.046 -2.702 1.640 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.440 -1.627 1.899 1.00 0.00 H new ATOM 418 N LEU A 30 -7.474 0.300 4.083 1.00 0.00 N ATOM 419 CA LEU A 30 -7.972 1.605 4.510 1.00 0.00 C ATOM 420 C LEU A 30 -7.182 2.129 5.703 1.00 0.00 C ATOM 421 O LEU A 30 -6.778 3.285 5.662 1.00 0.00 O ATOM 422 CB LEU A 30 -9.476 1.554 4.840 1.00 0.00 C ATOM 423 CG LEU A 30 -10.368 1.705 3.596 1.00 0.00 C ATOM 424 CD1 LEU A 30 -11.777 1.153 3.828 1.00 0.00 C ATOM 425 CD2 LEU A 30 -10.481 3.180 3.189 1.00 0.00 C ATOM 0 H LEU A 30 -8.194 -0.423 4.077 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.834 2.294 3.677 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.703 0.608 5.331 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.714 2.346 5.550 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.894 1.130 2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.371 1.281 2.923 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -11.716 0.093 4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -12.248 1.691 4.651 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -11.116 3.267 2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -10.918 3.751 4.008 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.489 3.572 2.962 1.00 0.00 H new ATOM 437 N VAL A 31 -6.950 1.321 6.741 1.00 0.00 N ATOM 438 CA VAL A 31 -6.206 1.725 7.936 1.00 0.00 C ATOM 439 C VAL A 31 -4.837 2.269 7.525 1.00 0.00 C ATOM 440 O VAL A 31 -4.447 3.382 7.890 1.00 0.00 O ATOM 441 CB VAL A 31 -6.034 0.522 8.894 1.00 0.00 C ATOM 442 CG1 VAL A 31 -5.229 0.914 10.142 1.00 0.00 C ATOM 443 CG2 VAL A 31 -7.365 -0.074 9.358 1.00 0.00 C ATOM 0 H VAL A 31 -7.278 0.356 6.775 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.763 2.504 8.456 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.500 -0.230 8.313 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.125 0.048 10.795 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.241 1.263 9.843 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.749 1.710 10.675 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.174 -0.913 10.027 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.940 0.687 9.885 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.930 -0.421 8.493 1.00 0.00 H new ATOM 453 N ILE A 32 -4.109 1.475 6.745 1.00 0.00 N ATOM 454 CA ILE A 32 -2.782 1.818 6.278 1.00 0.00 C ATOM 455 C ILE A 32 -2.835 3.063 5.385 1.00 0.00 C ATOM 456 O ILE A 32 -1.939 3.901 5.471 1.00 0.00 O ATOM 457 CB ILE A 32 -2.140 0.568 5.650 1.00 0.00 C ATOM 458 CG1 ILE A 32 -1.996 -0.545 6.721 1.00 0.00 C ATOM 459 CG2 ILE A 32 -0.764 0.943 5.090 1.00 0.00 C ATOM 460 CD1 ILE A 32 -1.628 -1.953 6.231 1.00 0.00 C ATOM 0 H ILE A 32 -4.434 0.565 6.419 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.126 2.109 7.099 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.771 0.195 4.844 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.237 -0.228 7.436 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.938 -0.613 7.265 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.301 0.063 4.643 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.879 1.718 4.332 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.132 1.315 5.896 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -1.561 -2.629 7.083 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.394 -2.311 5.544 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.667 -1.920 5.718 1.00 0.00 H new ATOM 472 N ALA A 33 -3.885 3.221 4.576 1.00 0.00 N ATOM 473 CA ALA A 33 -4.089 4.348 3.683 1.00 0.00 C ATOM 474 C ALA A 33 -4.621 5.587 4.423 1.00 0.00 C ATOM 475 O ALA A 33 -5.121 6.494 3.765 1.00 0.00 O ATOM 476 CB ALA A 33 -5.045 3.942 2.556 1.00 0.00 C ATOM 0 H ALA A 33 -4.641 2.538 4.528 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.122 4.623 3.262 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.198 4.788 1.886 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.617 3.110 1.998 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.002 3.639 2.982 1.00 0.00 H new ATOM 482 N HIS A 34 -4.548 5.654 5.759 1.00 0.00 N ATOM 483 CA HIS A 34 -5.045 6.780 6.560 1.00 0.00 C ATOM 484 C HIS A 34 -6.531 7.033 6.246 1.00 0.00 C ATOM 485 O HIS A 34 -7.003 8.168 6.170 1.00 0.00 O ATOM 486 CB HIS A 34 -4.173 8.038 6.383 1.00 0.00 C ATOM 487 CG HIS A 34 -2.688 7.884 6.630 1.00 0.00 C ATOM 488 ND1 HIS A 34 -2.028 6.841 7.230 1.00 0.00 N flip ATOM 489 CD2 HIS A 34 -1.746 8.834 6.309 1.00 0.00 C flip ATOM 490 CE1 HIS A 34 -0.665 7.163 7.256 1.00 0.00 C flip ATOM 491 NE2 HIS A 34 -0.543 8.363 6.665 1.00 0.00 N flip ATOM 0 H HIS A 34 -4.134 4.913 6.324 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.971 6.519 7.616 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.311 8.406 5.366 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -4.550 8.809 7.055 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -1.942 9.792 5.850 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.132 6.564 7.670 1.00 0.00 H new ATOM 0 HE2 HIS A 34 0.341 8.848 6.509 1.00 0.00 H new ATOM 499 N ASN A 35 -7.281 5.945 6.061 1.00 0.00 N ATOM 500 CA ASN A 35 -8.702 5.860 5.744 1.00 0.00 C ATOM 501 C ASN A 35 -9.051 6.422 4.360 1.00 0.00 C ATOM 502 O ASN A 35 -10.222 6.716 4.121 1.00 0.00 O ATOM 503 CB ASN A 35 -9.576 6.421 6.886 1.00 0.00 C ATOM 504 CG ASN A 35 -9.333 5.725 8.217 1.00 0.00 C ATOM 505 OD1 ASN A 35 -8.777 6.295 9.149 1.00 0.00 O ATOM 506 ND2 ASN A 35 -9.717 4.468 8.343 1.00 0.00 N ATOM 0 H ASN A 35 -6.867 5.016 6.137 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.945 4.800 5.670 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.378 7.487 6.998 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.627 6.319 6.615 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.551 3.969 9.217 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.179 3.996 7.566 1.00 0.00 H new ATOM 513 N ASN A 36 -8.077 6.606 3.462 1.00 0.00 N ATOM 514 CA ASN A 36 -8.287 7.120 2.105 1.00 0.00 C ATOM 515 C ASN A 36 -8.764 5.962 1.217 1.00 0.00 C ATOM 516 O ASN A 36 -7.990 5.037 0.957 1.00 0.00 O ATOM 517 CB ASN A 36 -6.978 7.724 1.575 1.00 0.00 C ATOM 518 CG ASN A 36 -7.094 8.316 0.173 1.00 0.00 C ATOM 519 OD1 ASN A 36 -7.869 7.872 -0.670 1.00 0.00 O ATOM 520 ND2 ASN A 36 -6.261 9.288 -0.147 1.00 0.00 N ATOM 0 H ASN A 36 -7.099 6.397 3.663 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.043 7.905 2.103 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.644 8.502 2.261 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.209 6.952 1.570 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -6.262 9.669 -1.093 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.617 9.658 0.552 1.00 0.00 H new ATOM 527 N ILE A 37 -10.021 5.983 0.766 1.00 0.00 N ATOM 528 CA ILE A 37 -10.618 4.933 -0.071 1.00 0.00 C ATOM 529 C ILE A 37 -9.916 4.748 -1.427 1.00 0.00 C ATOM 530 O ILE A 37 -9.702 3.613 -1.850 1.00 0.00 O ATOM 531 CB ILE A 37 -12.148 5.177 -0.191 1.00 0.00 C ATOM 532 CG1 ILE A 37 -12.939 4.013 -0.833 1.00 0.00 C ATOM 533 CG2 ILE A 37 -12.480 6.461 -0.966 1.00 0.00 C ATOM 534 CD1 ILE A 37 -13.149 2.819 0.103 1.00 0.00 C ATOM 0 H ILE A 37 -10.667 6.744 0.975 1.00 0.00 H new ATOM 0 HA ILE A 37 -10.463 3.975 0.425 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.465 5.268 0.848 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -13.911 4.383 -1.159 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -12.411 3.675 -1.725 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.562 6.584 -1.021 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -12.043 7.318 -0.454 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.071 6.393 -1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -13.711 2.043 -0.417 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -12.181 2.422 0.409 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -13.705 3.141 0.984 1.00 0.00 H new ATOM 546 N GLU A 38 -9.545 5.825 -2.122 1.00 0.00 N ATOM 547 CA GLU A 38 -8.888 5.756 -3.431 1.00 0.00 C ATOM 548 C GLU A 38 -7.497 5.143 -3.297 1.00 0.00 C ATOM 549 O GLU A 38 -7.101 4.278 -4.075 1.00 0.00 O ATOM 550 CB GLU A 38 -8.765 7.167 -4.020 1.00 0.00 C ATOM 551 CG GLU A 38 -10.114 7.796 -4.389 1.00 0.00 C ATOM 552 CD GLU A 38 -10.601 7.405 -5.783 1.00 0.00 C ATOM 553 OE1 GLU A 38 -11.198 6.315 -5.946 1.00 0.00 O ATOM 554 OE2 GLU A 38 -10.402 8.207 -6.725 1.00 0.00 O ATOM 0 H GLU A 38 -9.693 6.778 -1.790 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.489 5.131 -4.091 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.258 7.810 -3.300 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.136 7.127 -4.910 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.860 7.496 -3.653 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.029 8.881 -4.332 1.00 0.00 H new ATOM 561 N MET A 39 -6.744 5.607 -2.304 1.00 0.00 N ATOM 562 CA MET A 39 -5.403 5.131 -2.019 1.00 0.00 C ATOM 563 C MET A 39 -5.500 3.648 -1.668 1.00 0.00 C ATOM 564 O MET A 39 -4.777 2.840 -2.245 1.00 0.00 O ATOM 565 CB MET A 39 -4.853 5.977 -0.871 1.00 0.00 C ATOM 566 CG MET A 39 -3.365 5.842 -0.571 1.00 0.00 C ATOM 567 SD MET A 39 -2.847 7.064 0.679 1.00 0.00 S ATOM 568 CE MET A 39 -1.040 7.131 0.498 1.00 0.00 C ATOM 0 H MET A 39 -7.059 6.338 -1.666 1.00 0.00 H new ATOM 0 HA MET A 39 -4.725 5.228 -2.867 1.00 0.00 H new ATOM 0 HB2 MET A 39 -5.062 7.024 -1.090 1.00 0.00 H new ATOM 0 HB3 MET A 39 -5.406 5.724 0.033 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.151 4.835 -0.213 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.790 5.984 -1.486 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.663 8.051 0.946 1.00 0.00 H new ATOM 0 HE2 MET A 39 -0.592 6.273 1.000 1.00 0.00 H new ATOM 0 HE3 MET A 39 -0.779 7.109 -0.560 1.00 0.00 H new ATOM 578 N ALA A 40 -6.420 3.273 -0.770 1.00 0.00 N ATOM 579 CA ALA A 40 -6.620 1.893 -0.353 1.00 0.00 C ATOM 580 C ALA A 40 -6.991 1.001 -1.543 1.00 0.00 C ATOM 581 O ALA A 40 -6.497 -0.123 -1.643 1.00 0.00 O ATOM 582 CB ALA A 40 -7.691 1.838 0.735 1.00 0.00 C ATOM 0 H ALA A 40 -7.050 3.932 -0.312 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.684 1.510 0.054 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.840 0.804 1.047 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.371 2.433 1.591 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.627 2.238 0.345 1.00 0.00 H new ATOM 588 N LYS A 41 -7.828 1.492 -2.465 1.00 0.00 N ATOM 589 CA LYS A 41 -8.237 0.753 -3.660 1.00 0.00 C ATOM 590 C LYS A 41 -7.014 0.363 -4.470 1.00 0.00 C ATOM 591 O LYS A 41 -6.948 -0.773 -4.938 1.00 0.00 O ATOM 592 CB LYS A 41 -9.164 1.614 -4.528 1.00 0.00 C ATOM 593 CG LYS A 41 -10.620 1.385 -4.149 1.00 0.00 C ATOM 594 CD LYS A 41 -11.504 2.468 -4.767 1.00 0.00 C ATOM 595 CE LYS A 41 -12.984 2.142 -4.575 1.00 0.00 C ATOM 596 NZ LYS A 41 -13.473 1.196 -5.604 1.00 0.00 N ATOM 0 H LYS A 41 -8.243 2.422 -2.400 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.770 -0.144 -3.346 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.912 2.667 -4.404 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.014 1.372 -5.580 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.942 0.402 -4.493 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.727 1.394 -3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.278 3.431 -4.310 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.283 2.560 -5.830 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.137 1.714 -3.584 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.568 3.061 -4.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.411 0.840 -5.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.541 1.684 -6.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.811 0.398 -5.685 1.00 0.00 H new ATOM 610 N ASN A 42 -6.065 1.288 -4.624 1.00 0.00 N ATOM 611 CA ASN A 42 -4.837 1.047 -5.367 1.00 0.00 C ATOM 612 C ASN A 42 -4.048 -0.068 -4.678 1.00 0.00 C ATOM 613 O ASN A 42 -3.541 -0.947 -5.373 1.00 0.00 O ATOM 614 CB ASN A 42 -4.001 2.332 -5.490 1.00 0.00 C ATOM 615 CG ASN A 42 -4.594 3.380 -6.425 1.00 0.00 C ATOM 616 OD1 ASN A 42 -5.750 3.322 -6.828 1.00 0.00 O ATOM 617 ND2 ASN A 42 -3.831 4.407 -6.760 1.00 0.00 N ATOM 0 H ASN A 42 -6.131 2.228 -4.233 1.00 0.00 H new ATOM 0 HA ASN A 42 -5.085 0.734 -6.381 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -3.883 2.771 -4.499 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -3.004 2.070 -5.843 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.205 5.148 -7.352 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -2.869 4.458 -6.426 1.00 0.00 H new ATOM 624 N ILE A 43 -3.962 -0.065 -3.336 1.00 0.00 N ATOM 625 CA ILE A 43 -3.243 -1.095 -2.575 1.00 0.00 C ATOM 626 C ILE A 43 -3.841 -2.454 -2.933 1.00 0.00 C ATOM 627 O ILE A 43 -3.133 -3.359 -3.371 1.00 0.00 O ATOM 628 CB ILE A 43 -3.288 -0.879 -1.033 1.00 0.00 C ATOM 629 CG1 ILE A 43 -2.841 0.532 -0.605 1.00 0.00 C ATOM 630 CG2 ILE A 43 -2.420 -1.939 -0.359 1.00 0.00 C ATOM 631 CD1 ILE A 43 -2.856 0.801 0.901 1.00 0.00 C ATOM 0 H ILE A 43 -4.390 0.653 -2.751 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.190 -1.037 -2.850 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.326 -0.976 -0.716 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.830 0.702 -0.976 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.487 1.262 -1.093 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.445 -1.796 0.721 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.801 -2.931 -0.603 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.393 -1.848 -0.714 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.524 1.822 1.092 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.868 0.671 1.284 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.186 0.102 1.402 1.00 0.00 H new ATOM 643 N LEU A 44 -5.156 -2.591 -2.754 1.00 0.00 N ATOM 644 CA LEU A 44 -5.875 -3.824 -3.033 1.00 0.00 C ATOM 645 C LEU A 44 -5.645 -4.299 -4.464 1.00 0.00 C ATOM 646 O LEU A 44 -5.371 -5.476 -4.680 1.00 0.00 O ATOM 647 CB LEU A 44 -7.380 -3.628 -2.805 1.00 0.00 C ATOM 648 CG LEU A 44 -7.821 -3.393 -1.353 1.00 0.00 C ATOM 649 CD1 LEU A 44 -9.322 -3.083 -1.358 1.00 0.00 C ATOM 650 CD2 LEU A 44 -7.543 -4.609 -0.464 1.00 0.00 C ATOM 0 H LEU A 44 -5.752 -1.839 -2.408 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.492 -4.582 -2.350 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.710 -2.780 -3.405 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.901 -4.507 -3.183 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.250 -2.561 -0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.662 -2.912 -0.337 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.507 -2.191 -1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.866 -3.926 -1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.871 -4.398 0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.086 -5.472 -0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.474 -4.823 -0.464 1.00 0.00 H new ATOM 662 N ARG A 45 -5.728 -3.400 -5.441 1.00 0.00 N ATOM 663 CA ARG A 45 -5.556 -3.750 -6.844 1.00 0.00 C ATOM 664 C ARG A 45 -4.158 -4.258 -7.181 1.00 0.00 C ATOM 665 O ARG A 45 -4.054 -5.216 -7.937 1.00 0.00 O ATOM 666 CB ARG A 45 -5.948 -2.536 -7.699 1.00 0.00 C ATOM 667 CG ARG A 45 -6.529 -2.929 -9.063 1.00 0.00 C ATOM 668 CD ARG A 45 -7.352 -1.750 -9.590 1.00 0.00 C ATOM 669 NE ARG A 45 -8.173 -2.089 -10.761 1.00 0.00 N ATOM 670 CZ ARG A 45 -9.225 -1.373 -11.174 1.00 0.00 C ATOM 671 NH1 ARG A 45 -9.594 -0.270 -10.528 1.00 0.00 N ATOM 672 NH2 ARG A 45 -9.920 -1.748 -12.243 1.00 0.00 N ATOM 0 H ARG A 45 -5.916 -2.410 -5.281 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.211 -4.592 -7.068 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.680 -1.937 -7.157 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.071 -1.907 -7.851 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -5.728 -3.176 -9.760 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -7.154 -3.817 -8.968 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -8.001 -1.385 -8.794 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.678 -0.934 -9.852 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.925 -2.923 -11.293 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.073 0.039 -9.707 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.398 0.267 -10.853 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.653 -2.588 -12.756 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.721 -1.196 -12.550 1.00 0.00 H new ATOM 686 N GLU A 46 -3.105 -3.663 -6.622 1.00 0.00 N ATOM 687 CA GLU A 46 -1.721 -4.049 -6.901 1.00 0.00 C ATOM 688 C GLU A 46 -1.141 -5.134 -5.992 1.00 0.00 C ATOM 689 O GLU A 46 -0.181 -5.793 -6.400 1.00 0.00 O ATOM 690 CB GLU A 46 -0.852 -2.786 -6.780 1.00 0.00 C ATOM 691 CG GLU A 46 -0.834 -1.958 -8.076 1.00 0.00 C ATOM 692 CD GLU A 46 0.468 -2.128 -8.866 1.00 0.00 C ATOM 693 OE1 GLU A 46 0.972 -3.267 -9.035 1.00 0.00 O ATOM 694 OE2 GLU A 46 0.998 -1.116 -9.381 1.00 0.00 O ATOM 0 H GLU A 46 -3.188 -2.894 -5.958 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.719 -4.484 -7.901 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.226 -2.169 -5.963 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.167 -3.073 -6.522 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.676 -2.252 -8.703 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.972 -0.905 -7.832 1.00 0.00 H new ATOM 701 N PHE A 47 -1.666 -5.340 -4.780 1.00 0.00 N ATOM 702 CA PHE A 47 -1.150 -6.346 -3.847 1.00 0.00 C ATOM 703 C PHE A 47 -2.113 -7.512 -3.601 1.00 0.00 C ATOM 704 O PHE A 47 -1.658 -8.566 -3.164 1.00 0.00 O ATOM 705 CB PHE A 47 -0.771 -5.688 -2.513 1.00 0.00 C ATOM 706 CG PHE A 47 0.578 -4.984 -2.478 1.00 0.00 C ATOM 707 CD1 PHE A 47 1.743 -5.733 -2.208 1.00 0.00 C ATOM 708 CD2 PHE A 47 0.687 -3.590 -2.684 1.00 0.00 C ATOM 709 CE1 PHE A 47 3.002 -5.113 -2.174 1.00 0.00 C ATOM 710 CE2 PHE A 47 1.953 -2.978 -2.657 1.00 0.00 C ATOM 711 CZ PHE A 47 3.108 -3.735 -2.411 1.00 0.00 C ATOM 0 H PHE A 47 -2.461 -4.813 -4.418 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.266 -6.773 -4.321 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.544 -4.964 -2.255 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.780 -6.454 -1.737 1.00 0.00 H new ATOM 0 HD1 PHE A 47 1.665 -6.795 -2.026 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.198 -2.997 -2.861 1.00 0.00 H new ATOM 0 HE1 PHE A 47 3.887 -5.696 -1.966 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.037 -1.915 -2.827 1.00 0.00 H new ATOM 0 HZ PHE A 47 4.077 -3.258 -2.404 1.00 0.00 H new ATOM 721 N SER A 48 -3.408 -7.352 -3.858 1.00 0.00 N ATOM 722 CA SER A 48 -4.437 -8.378 -3.682 1.00 0.00 C ATOM 723 C SER A 48 -5.140 -8.622 -5.029 1.00 0.00 C ATOM 724 O SER A 48 -6.221 -9.221 -5.086 1.00 0.00 O ATOM 725 CB SER A 48 -5.393 -7.909 -2.575 1.00 0.00 C ATOM 726 OG SER A 48 -6.181 -8.953 -2.045 1.00 0.00 O ATOM 0 H SER A 48 -3.786 -6.472 -4.208 1.00 0.00 H new ATOM 0 HA SER A 48 -4.013 -9.333 -3.372 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.814 -7.455 -1.771 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.048 -7.134 -2.973 1.00 0.00 H new ATOM 0 HG SER A 48 -6.608 -8.652 -1.216 1.00 0.00 H new ATOM 732 N GLY A 49 -4.549 -8.116 -6.114 1.00 0.00 N ATOM 733 CA GLY A 49 -5.023 -8.201 -7.475 1.00 0.00 C ATOM 734 C GLY A 49 -3.844 -8.377 -8.437 1.00 0.00 C ATOM 735 O GLY A 49 -2.764 -8.822 -8.033 1.00 0.00 O ATOM 0 H GLY A 49 -3.669 -7.604 -6.048 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.712 -9.040 -7.576 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -5.579 -7.299 -7.731 1.00 0.00 H new ATOM 739 N PRO A 50 -4.050 -8.104 -9.733 1.00 0.00 N ATOM 740 CA PRO A 50 -3.022 -8.253 -10.751 1.00 0.00 C ATOM 741 C PRO A 50 -1.860 -7.271 -10.600 1.00 0.00 C ATOM 742 O PRO A 50 -1.966 -6.210 -9.989 1.00 0.00 O ATOM 743 CB PRO A 50 -3.741 -8.039 -12.086 1.00 0.00 C ATOM 744 CG PRO A 50 -4.888 -7.108 -11.701 1.00 0.00 C ATOM 745 CD PRO A 50 -5.274 -7.572 -10.305 1.00 0.00 C ATOM 0 HA PRO A 50 -2.559 -9.236 -10.670 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.086 -7.588 -12.832 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.104 -8.977 -12.506 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -4.575 -6.064 -11.704 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -5.723 -7.192 -12.396 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -5.662 -6.747 -9.708 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.054 -8.332 -10.344 1.00 0.00 H new ATOM 753 N SER A 51 -0.734 -7.645 -11.200 1.00 0.00 N ATOM 754 CA SER A 51 0.487 -6.867 -11.217 1.00 0.00 C ATOM 755 C SER A 51 0.225 -5.641 -12.088 1.00 0.00 C ATOM 756 O SER A 51 0.194 -5.792 -13.313 1.00 0.00 O ATOM 757 CB SER A 51 1.610 -7.739 -11.798 1.00 0.00 C ATOM 758 OG SER A 51 1.169 -8.387 -12.982 1.00 0.00 O ATOM 0 H SER A 51 -0.650 -8.529 -11.703 1.00 0.00 H new ATOM 0 HA SER A 51 0.789 -6.546 -10.220 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.482 -7.123 -12.016 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.920 -8.482 -11.063 1.00 0.00 H new ATOM 0 HG SER A 51 0.658 -7.755 -13.530 1.00 0.00 H new ATOM 764 N SER A 52 0.060 -4.465 -11.481 1.00 0.00 N ATOM 765 CA SER A 52 -0.208 -3.193 -12.136 1.00 0.00 C ATOM 766 C SER A 52 -1.628 -3.164 -12.708 1.00 0.00 C ATOM 767 O SER A 52 -2.119 -4.139 -13.287 1.00 0.00 O ATOM 768 CB SER A 52 0.860 -2.922 -13.207 1.00 0.00 C ATOM 769 OG SER A 52 1.058 -1.540 -13.420 1.00 0.00 O ATOM 0 H SER A 52 0.113 -4.374 -10.466 1.00 0.00 H new ATOM 0 HA SER A 52 -0.151 -2.390 -11.401 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.801 -3.381 -12.904 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.562 -3.394 -14.143 1.00 0.00 H new ATOM 0 HG SER A 52 1.745 -1.410 -14.106 1.00 0.00 H new ATOM 775 N GLY A 53 -2.297 -2.015 -12.598 1.00 0.00 N ATOM 776 CA GLY A 53 -3.641 -1.855 -13.112 1.00 0.00 C ATOM 777 C GLY A 53 -4.466 -0.987 -12.214 1.00 0.00 C ATOM 778 O GLY A 53 -5.690 -1.209 -12.211 1.00 0.00 O ATOM 0 H GLY A 53 -1.918 -1.180 -12.152 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.602 -1.417 -14.109 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -4.114 -2.832 -13.212 1.00 0.00 H new TER 782 GLY A 53 ATOM 783 N GLY B 1 30.327 10.779 -10.713 1.00 0.00 N ATOM 784 CA GLY B 1 30.890 12.090 -10.358 1.00 0.00 C ATOM 785 C GLY B 1 31.540 11.974 -9.001 1.00 0.00 C ATOM 786 O GLY B 1 32.442 11.158 -8.843 1.00 0.00 O ATOM 0 H1 GLY B 1 29.873 10.837 -11.647 1.00 0.00 H new ATOM 0 H2 GLY B 1 31.088 10.071 -10.741 1.00 0.00 H new ATOM 0 H3 GLY B 1 29.621 10.500 -10.002 1.00 0.00 H new ATOM 0 HA2 GLY B 1 31.621 12.404 -11.103 1.00 0.00 H new ATOM 0 HA3 GLY B 1 30.107 12.848 -10.340 1.00 0.00 H new ATOM 790 N SER B 2 31.082 12.762 -8.033 1.00 0.00 N ATOM 791 CA SER B 2 31.569 12.774 -6.659 1.00 0.00 C ATOM 792 C SER B 2 30.334 12.742 -5.754 1.00 0.00 C ATOM 793 O SER B 2 29.223 12.994 -6.232 1.00 0.00 O ATOM 794 CB SER B 2 32.438 14.018 -6.428 1.00 0.00 C ATOM 795 OG SER B 2 33.426 14.129 -7.439 1.00 0.00 O ATOM 0 H SER B 2 30.332 13.435 -8.191 1.00 0.00 H new ATOM 0 HA SER B 2 32.201 11.914 -6.438 1.00 0.00 H new ATOM 0 HB2 SER B 2 31.812 14.910 -6.424 1.00 0.00 H new ATOM 0 HB3 SER B 2 32.915 13.959 -5.450 1.00 0.00 H new ATOM 0 HG SER B 2 33.970 14.928 -7.278 1.00 0.00 H new ATOM 801 N SER B 3 30.506 12.440 -4.472 1.00 0.00 N ATOM 802 CA SER B 3 29.429 12.356 -3.495 1.00 0.00 C ATOM 803 C SER B 3 29.933 12.863 -2.140 1.00 0.00 C ATOM 804 O SER B 3 31.075 13.312 -2.024 1.00 0.00 O ATOM 805 CB SER B 3 28.930 10.899 -3.443 1.00 0.00 C ATOM 806 OG SER B 3 30.004 9.979 -3.345 1.00 0.00 O ATOM 0 H SER B 3 31.424 12.242 -4.074 1.00 0.00 H new ATOM 0 HA SER B 3 28.585 12.987 -3.775 1.00 0.00 H new ATOM 0 HB2 SER B 3 28.264 10.773 -2.589 1.00 0.00 H new ATOM 0 HB3 SER B 3 28.346 10.682 -4.338 1.00 0.00 H new ATOM 0 HG SER B 3 29.650 9.066 -3.313 1.00 0.00 H new ATOM 812 N GLY B 4 29.064 12.831 -1.131 1.00 0.00 N ATOM 813 CA GLY B 4 29.330 13.245 0.237 1.00 0.00 C ATOM 814 C GLY B 4 28.603 12.286 1.176 1.00 0.00 C ATOM 815 O GLY B 4 27.996 11.311 0.723 1.00 0.00 O ATOM 0 H GLY B 4 28.108 12.498 -1.257 1.00 0.00 H new ATOM 0 HA2 GLY B 4 30.402 13.233 0.436 1.00 0.00 H new ATOM 0 HA3 GLY B 4 28.988 14.267 0.398 1.00 0.00 H new ATOM 819 N SER B 5 28.649 12.550 2.481 1.00 0.00 N ATOM 820 CA SER B 5 28.009 11.745 3.522 1.00 0.00 C ATOM 821 C SER B 5 26.470 11.813 3.489 1.00 0.00 C ATOM 822 O SER B 5 25.811 11.273 4.383 1.00 0.00 O ATOM 823 CB SER B 5 28.575 12.187 4.883 1.00 0.00 C ATOM 824 OG SER B 5 28.749 13.595 4.937 1.00 0.00 O ATOM 0 H SER B 5 29.149 13.356 2.856 1.00 0.00 H new ATOM 0 HA SER B 5 28.240 10.695 3.341 1.00 0.00 H new ATOM 0 HB2 SER B 5 27.901 11.871 5.679 1.00 0.00 H new ATOM 0 HB3 SER B 5 29.531 11.693 5.059 1.00 0.00 H new ATOM 0 HG SER B 5 29.108 13.847 5.813 1.00 0.00 H new ATOM 830 N SER B 6 25.879 12.527 2.533 1.00 0.00 N ATOM 831 CA SER B 6 24.444 12.668 2.371 1.00 0.00 C ATOM 832 C SER B 6 23.813 11.327 1.974 1.00 0.00 C ATOM 833 O SER B 6 24.478 10.451 1.411 1.00 0.00 O ATOM 834 CB SER B 6 24.192 13.762 1.323 1.00 0.00 C ATOM 835 OG SER B 6 25.109 13.693 0.238 1.00 0.00 O ATOM 0 H SER B 6 26.410 13.039 1.828 1.00 0.00 H new ATOM 0 HA SER B 6 23.976 12.961 3.310 1.00 0.00 H new ATOM 0 HB2 SER B 6 23.175 13.670 0.942 1.00 0.00 H new ATOM 0 HB3 SER B 6 24.267 14.740 1.797 1.00 0.00 H new ATOM 0 HG SER B 6 24.910 14.406 -0.404 1.00 0.00 H new ATOM 841 N GLY B 7 22.523 11.189 2.261 1.00 0.00 N ATOM 842 CA GLY B 7 21.702 10.026 1.976 1.00 0.00 C ATOM 843 C GLY B 7 20.295 10.498 1.615 1.00 0.00 C ATOM 844 O GLY B 7 19.955 11.672 1.812 1.00 0.00 O ATOM 0 H GLY B 7 21.996 11.929 2.725 1.00 0.00 H new ATOM 0 HA2 GLY B 7 22.131 9.453 1.154 1.00 0.00 H new ATOM 0 HA3 GLY B 7 21.669 9.365 2.842 1.00 0.00 H new ATOM 848 N GLN B 8 19.491 9.597 1.057 1.00 0.00 N ATOM 849 CA GLN B 8 18.118 9.837 0.626 1.00 0.00 C ATOM 850 C GLN B 8 17.277 8.603 0.981 1.00 0.00 C ATOM 851 O GLN B 8 17.836 7.606 1.451 1.00 0.00 O ATOM 852 CB GLN B 8 18.104 10.120 -0.888 1.00 0.00 C ATOM 853 CG GLN B 8 18.850 11.402 -1.309 1.00 0.00 C ATOM 854 CD GLN B 8 20.373 11.270 -1.427 1.00 0.00 C ATOM 855 OE1 GLN B 8 20.924 10.183 -1.583 1.00 0.00 O ATOM 856 NE2 GLN B 8 21.103 12.372 -1.347 1.00 0.00 N ATOM 0 H GLN B 8 19.793 8.638 0.886 1.00 0.00 H new ATOM 0 HA GLN B 8 17.693 10.705 1.131 1.00 0.00 H new ATOM 0 HB2 GLN B 8 18.548 9.270 -1.407 1.00 0.00 H new ATOM 0 HB3 GLN B 8 17.069 10.192 -1.221 1.00 0.00 H new ATOM 0 HG2 GLN B 8 18.456 11.732 -2.270 1.00 0.00 H new ATOM 0 HG3 GLN B 8 18.626 12.186 -0.586 1.00 0.00 H new ATOM 0 HE21 GLN B 8 20.649 13.276 -1.218 1.00 0.00 H new ATOM 0 HE22 GLN B 8 22.119 12.317 -1.415 1.00 0.00 H new ATOM 865 N LEU B 9 15.957 8.607 0.726 1.00 0.00 N ATOM 866 CA LEU B 9 15.063 7.472 1.038 1.00 0.00 C ATOM 867 C LEU B 9 15.543 6.167 0.399 1.00 0.00 C ATOM 868 O LEU B 9 15.204 5.088 0.881 1.00 0.00 O ATOM 869 CB LEU B 9 13.610 7.737 0.602 1.00 0.00 C ATOM 870 CG LEU B 9 12.734 8.480 1.626 1.00 0.00 C ATOM 871 CD1 LEU B 9 13.296 9.853 2.010 1.00 0.00 C ATOM 872 CD2 LEU B 9 11.326 8.639 1.041 1.00 0.00 C ATOM 0 H LEU B 9 15.477 9.398 0.297 1.00 0.00 H new ATOM 0 HA LEU B 9 15.093 7.368 2.123 1.00 0.00 H new ATOM 0 HB2 LEU B 9 13.626 8.315 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU B 9 13.138 6.782 0.372 1.00 0.00 H new ATOM 0 HG LEU B 9 12.714 7.887 2.540 1.00 0.00 H new ATOM 0 HD11 LEU B 9 12.634 10.327 2.735 1.00 0.00 H new ATOM 0 HD12 LEU B 9 14.286 9.731 2.449 1.00 0.00 H new ATOM 0 HD13 LEU B 9 13.368 10.479 1.120 1.00 0.00 H new ATOM 0 HD21 LEU B 9 10.692 9.164 1.756 1.00 0.00 H new ATOM 0 HD22 LEU B 9 11.379 9.211 0.115 1.00 0.00 H new ATOM 0 HD23 LEU B 9 10.904 7.655 0.836 1.00 0.00 H new ATOM 884 N SER B 10 16.348 6.254 -0.662 1.00 0.00 N ATOM 885 CA SER B 10 16.915 5.117 -1.366 1.00 0.00 C ATOM 886 C SER B 10 17.664 4.197 -0.382 1.00 0.00 C ATOM 887 O SER B 10 17.672 2.981 -0.570 1.00 0.00 O ATOM 888 CB SER B 10 17.816 5.660 -2.486 1.00 0.00 C ATOM 889 OG SER B 10 17.525 5.034 -3.720 1.00 0.00 O ATOM 0 H SER B 10 16.628 7.149 -1.062 1.00 0.00 H new ATOM 0 HA SER B 10 16.136 4.501 -1.816 1.00 0.00 H new ATOM 0 HB2 SER B 10 17.677 6.737 -2.579 1.00 0.00 H new ATOM 0 HB3 SER B 10 18.862 5.495 -2.228 1.00 0.00 H new ATOM 0 HG SER B 10 18.110 5.397 -4.417 1.00 0.00 H new ATOM 895 N SER B 11 18.266 4.752 0.677 1.00 0.00 N ATOM 896 CA SER B 11 18.977 3.975 1.686 1.00 0.00 C ATOM 897 C SER B 11 18.004 3.071 2.444 1.00 0.00 C ATOM 898 O SER B 11 18.299 1.908 2.711 1.00 0.00 O ATOM 899 CB SER B 11 19.693 4.909 2.665 1.00 0.00 C ATOM 900 OG SER B 11 18.867 5.949 3.154 1.00 0.00 O ATOM 0 H SER B 11 18.271 5.757 0.854 1.00 0.00 H new ATOM 0 HA SER B 11 19.718 3.352 1.185 1.00 0.00 H new ATOM 0 HB2 SER B 11 20.066 4.325 3.506 1.00 0.00 H new ATOM 0 HB3 SER B 11 20.561 5.346 2.171 1.00 0.00 H new ATOM 0 HG SER B 11 18.824 6.671 2.493 1.00 0.00 H new ATOM 906 N GLU B 12 16.833 3.600 2.801 1.00 0.00 N ATOM 907 CA GLU B 12 15.818 2.847 3.517 1.00 0.00 C ATOM 908 C GLU B 12 15.327 1.714 2.614 1.00 0.00 C ATOM 909 O GLU B 12 15.120 0.606 3.097 1.00 0.00 O ATOM 910 CB GLU B 12 14.682 3.769 3.987 1.00 0.00 C ATOM 911 CG GLU B 12 15.148 4.980 4.817 1.00 0.00 C ATOM 912 CD GLU B 12 16.135 4.657 5.950 1.00 0.00 C ATOM 913 OE1 GLU B 12 15.964 3.655 6.689 1.00 0.00 O ATOM 914 OE2 GLU B 12 17.094 5.434 6.155 1.00 0.00 O ATOM 0 H GLU B 12 16.567 4.564 2.599 1.00 0.00 H new ATOM 0 HA GLU B 12 16.239 2.407 4.421 1.00 0.00 H new ATOM 0 HB2 GLU B 12 14.138 4.130 3.114 1.00 0.00 H new ATOM 0 HB3 GLU B 12 13.979 3.185 4.581 1.00 0.00 H new ATOM 0 HG2 GLU B 12 15.614 5.702 4.146 1.00 0.00 H new ATOM 0 HG3 GLU B 12 14.271 5.464 5.248 1.00 0.00 H new ATOM 921 N ILE B 13 15.187 1.956 1.304 1.00 0.00 N ATOM 922 CA ILE B 13 14.757 0.935 0.347 1.00 0.00 C ATOM 923 C ILE B 13 15.798 -0.188 0.371 1.00 0.00 C ATOM 924 O ILE B 13 15.422 -1.360 0.399 1.00 0.00 O ATOM 925 CB ILE B 13 14.566 1.538 -1.061 1.00 0.00 C ATOM 926 CG1 ILE B 13 13.436 2.583 -1.028 1.00 0.00 C ATOM 927 CG2 ILE B 13 14.296 0.461 -2.135 1.00 0.00 C ATOM 928 CD1 ILE B 13 13.277 3.323 -2.356 1.00 0.00 C ATOM 0 H ILE B 13 15.369 2.866 0.881 1.00 0.00 H new ATOM 0 HA ILE B 13 13.784 0.529 0.625 1.00 0.00 H new ATOM 0 HB ILE B 13 15.499 2.024 -1.344 1.00 0.00 H new ATOM 0 HG12 ILE B 13 12.497 2.089 -0.778 1.00 0.00 H new ATOM 0 HG13 ILE B 13 13.637 3.305 -0.237 1.00 0.00 H new ATOM 0 HG21 ILE B 13 14.169 0.939 -3.106 1.00 0.00 H new ATOM 0 HG22 ILE B 13 15.138 -0.229 -2.178 1.00 0.00 H new ATOM 0 HG23 ILE B 13 13.390 -0.088 -1.880 1.00 0.00 H new ATOM 0 HD11 ILE B 13 12.466 4.047 -2.274 1.00 0.00 H new ATOM 0 HD12 ILE B 13 14.205 3.843 -2.596 1.00 0.00 H new ATOM 0 HD13 ILE B 13 13.047 2.608 -3.146 1.00 0.00 H new ATOM 940 N GLU B 14 17.095 0.141 0.390 1.00 0.00 N ATOM 941 CA GLU B 14 18.134 -0.878 0.437 1.00 0.00 C ATOM 942 C GLU B 14 18.021 -1.675 1.727 1.00 0.00 C ATOM 943 O GLU B 14 18.202 -2.896 1.705 1.00 0.00 O ATOM 944 CB GLU B 14 19.548 -0.282 0.315 1.00 0.00 C ATOM 945 CG GLU B 14 19.856 0.220 -1.097 1.00 0.00 C ATOM 946 CD GLU B 14 19.476 -0.821 -2.147 1.00 0.00 C ATOM 947 OE1 GLU B 14 19.908 -1.992 -2.022 1.00 0.00 O ATOM 948 OE2 GLU B 14 18.675 -0.479 -3.041 1.00 0.00 O ATOM 0 H GLU B 14 17.442 1.100 0.374 1.00 0.00 H new ATOM 0 HA GLU B 14 17.982 -1.533 -0.421 1.00 0.00 H new ATOM 0 HB2 GLU B 14 19.653 0.542 1.020 1.00 0.00 H new ATOM 0 HB3 GLU B 14 20.282 -1.037 0.596 1.00 0.00 H new ATOM 0 HG2 GLU B 14 19.311 1.145 -1.284 1.00 0.00 H new ATOM 0 HG3 GLU B 14 20.918 0.453 -1.180 1.00 0.00 H new ATOM 955 N ARG B 15 17.699 -1.020 2.845 1.00 0.00 N ATOM 956 CA ARG B 15 17.563 -1.725 4.110 1.00 0.00 C ATOM 957 C ARG B 15 16.347 -2.634 4.069 1.00 0.00 C ATOM 958 O ARG B 15 16.425 -3.731 4.616 1.00 0.00 O ATOM 959 CB ARG B 15 17.540 -0.744 5.281 1.00 0.00 C ATOM 960 CG ARG B 15 18.964 -0.224 5.531 1.00 0.00 C ATOM 961 CD ARG B 15 19.067 0.368 6.929 1.00 0.00 C ATOM 962 NE ARG B 15 19.302 -0.643 7.974 1.00 0.00 N ATOM 963 CZ ARG B 15 19.466 -0.358 9.273 1.00 0.00 C ATOM 964 NH1 ARG B 15 19.356 0.899 9.699 1.00 0.00 N ATOM 965 NH2 ARG B 15 19.703 -1.332 10.145 1.00 0.00 N ATOM 0 H ARG B 15 17.531 -0.015 2.895 1.00 0.00 H new ATOM 0 HA ARG B 15 18.434 -2.362 4.267 1.00 0.00 H new ATOM 0 HB2 ARG B 15 16.870 0.087 5.062 1.00 0.00 H new ATOM 0 HB3 ARG B 15 17.157 -1.235 6.175 1.00 0.00 H new ATOM 0 HG2 ARG B 15 19.681 -1.037 5.418 1.00 0.00 H new ATOM 0 HG3 ARG B 15 19.219 0.532 4.788 1.00 0.00 H new ATOM 0 HD2 ARG B 15 19.878 1.096 6.949 1.00 0.00 H new ATOM 0 HD3 ARG B 15 18.148 0.908 7.156 1.00 0.00 H new ATOM 0 HE ARG B 15 19.342 -1.622 7.691 1.00 0.00 H new ATOM 0 HH11 ARG B 15 19.147 1.646 9.036 1.00 0.00 H new ATOM 0 HH12 ARG B 15 19.481 1.115 10.688 1.00 0.00 H new ATOM 0 HH21 ARG B 15 19.760 -2.299 9.826 1.00 0.00 H new ATOM 0 HH22 ARG B 15 19.828 -1.113 11.133 1.00 0.00 H new ATOM 979 N LEU B 16 15.251 -2.229 3.426 1.00 0.00 N ATOM 980 CA LEU B 16 14.047 -3.047 3.302 1.00 0.00 C ATOM 981 C LEU B 16 14.378 -4.254 2.434 1.00 0.00 C ATOM 982 O LEU B 16 13.936 -5.365 2.737 1.00 0.00 O ATOM 983 CB LEU B 16 12.891 -2.237 2.702 1.00 0.00 C ATOM 984 CG LEU B 16 12.352 -1.166 3.661 1.00 0.00 C ATOM 985 CD1 LEU B 16 11.308 -0.314 2.938 1.00 0.00 C ATOM 986 CD2 LEU B 16 11.727 -1.789 4.907 1.00 0.00 C ATOM 0 H LEU B 16 15.175 -1.318 2.974 1.00 0.00 H new ATOM 0 HA LEU B 16 13.723 -3.380 4.288 1.00 0.00 H new ATOM 0 HB2 LEU B 16 13.228 -1.758 1.783 1.00 0.00 H new ATOM 0 HB3 LEU B 16 12.082 -2.915 2.430 1.00 0.00 H new ATOM 0 HG LEU B 16 13.190 -0.546 3.979 1.00 0.00 H new ATOM 0 HD11 LEU B 16 10.925 0.447 3.618 1.00 0.00 H new ATOM 0 HD12 LEU B 16 11.767 0.169 2.075 1.00 0.00 H new ATOM 0 HD13 LEU B 16 10.487 -0.949 2.605 1.00 0.00 H new ATOM 0 HD21 LEU B 16 11.357 -1.000 5.562 1.00 0.00 H new ATOM 0 HD22 LEU B 16 10.900 -2.436 4.615 1.00 0.00 H new ATOM 0 HD23 LEU B 16 12.478 -2.377 5.436 1.00 0.00 H new ATOM 998 N MET B 17 15.172 -4.058 1.378 1.00 0.00 N ATOM 999 CA MET B 17 15.573 -5.155 0.517 1.00 0.00 C ATOM 1000 C MET B 17 16.401 -6.138 1.348 1.00 0.00 C ATOM 1001 O MET B 17 16.158 -7.344 1.294 1.00 0.00 O ATOM 1002 CB MET B 17 16.315 -4.658 -0.731 1.00 0.00 C ATOM 1003 CG MET B 17 15.330 -4.352 -1.859 1.00 0.00 C ATOM 1004 SD MET B 17 15.999 -4.526 -3.530 1.00 0.00 S ATOM 1005 CE MET B 17 16.820 -2.931 -3.736 1.00 0.00 C ATOM 0 H MET B 17 15.545 -3.149 1.106 1.00 0.00 H new ATOM 0 HA MET B 17 14.691 -5.671 0.136 1.00 0.00 H new ATOM 0 HB2 MET B 17 16.887 -3.762 -0.488 1.00 0.00 H new ATOM 0 HB3 MET B 17 17.029 -5.413 -1.060 1.00 0.00 H new ATOM 0 HG2 MET B 17 14.469 -5.013 -1.758 1.00 0.00 H new ATOM 0 HG3 MET B 17 14.965 -3.333 -1.735 1.00 0.00 H new ATOM 0 HE1 MET B 17 17.001 -2.749 -4.795 1.00 0.00 H new ATOM 0 HE2 MET B 17 16.185 -2.141 -3.335 1.00 0.00 H new ATOM 0 HE3 MET B 17 17.770 -2.939 -3.202 1.00 0.00 H new ATOM 1015 N SER B 18 17.314 -5.616 2.173 1.00 0.00 N ATOM 1016 CA SER B 18 18.164 -6.402 3.051 1.00 0.00 C ATOM 1017 C SER B 18 17.288 -7.162 4.060 1.00 0.00 C ATOM 1018 O SER B 18 17.576 -8.320 4.342 1.00 0.00 O ATOM 1019 CB SER B 18 19.169 -5.459 3.729 1.00 0.00 C ATOM 1020 OG SER B 18 20.241 -6.106 4.394 1.00 0.00 O ATOM 0 H SER B 18 17.481 -4.612 2.245 1.00 0.00 H new ATOM 0 HA SER B 18 18.730 -7.148 2.493 1.00 0.00 H new ATOM 0 HB2 SER B 18 19.581 -4.788 2.975 1.00 0.00 H new ATOM 0 HB3 SER B 18 18.635 -4.840 4.450 1.00 0.00 H new ATOM 0 HG SER B 18 20.831 -5.434 4.794 1.00 0.00 H new ATOM 1026 N GLN B 19 16.208 -6.559 4.582 1.00 0.00 N ATOM 1027 CA GLN B 19 15.316 -7.213 5.540 1.00 0.00 C ATOM 1028 C GLN B 19 14.727 -8.483 4.923 1.00 0.00 C ATOM 1029 O GLN B 19 14.527 -9.459 5.643 1.00 0.00 O ATOM 1030 CB GLN B 19 14.173 -6.283 5.995 1.00 0.00 C ATOM 1031 CG GLN B 19 14.623 -5.079 6.840 1.00 0.00 C ATOM 1032 CD GLN B 19 14.207 -5.211 8.300 1.00 0.00 C ATOM 1033 OE1 GLN B 19 15.003 -5.600 9.152 1.00 0.00 O ATOM 1034 NE2 GLN B 19 12.965 -4.912 8.639 1.00 0.00 N ATOM 0 H GLN B 19 15.933 -5.605 4.349 1.00 0.00 H new ATOM 0 HA GLN B 19 15.910 -7.466 6.418 1.00 0.00 H new ATOM 0 HB2 GLN B 19 13.649 -5.915 5.113 1.00 0.00 H new ATOM 0 HB3 GLN B 19 13.455 -6.867 6.572 1.00 0.00 H new ATOM 0 HG2 GLN B 19 15.707 -4.981 6.781 1.00 0.00 H new ATOM 0 HG3 GLN B 19 14.197 -4.166 6.424 1.00 0.00 H new ATOM 0 HE21 GLN B 19 12.306 -4.589 7.930 1.00 0.00 H new ATOM 0 HE22 GLN B 19 12.665 -5.004 9.610 1.00 0.00 H new ATOM 1043 N GLY B 20 14.449 -8.486 3.615 1.00 0.00 N ATOM 1044 CA GLY B 20 13.899 -9.637 2.913 1.00 0.00 C ATOM 1045 C GLY B 20 12.930 -9.272 1.795 1.00 0.00 C ATOM 1046 O GLY B 20 12.458 -10.178 1.107 1.00 0.00 O ATOM 0 H GLY B 20 14.603 -7.677 3.013 1.00 0.00 H new ATOM 0 HA2 GLY B 20 14.719 -10.221 2.494 1.00 0.00 H new ATOM 0 HA3 GLY B 20 13.386 -10.277 3.631 1.00 0.00 H new ATOM 1050 N TYR B 21 12.588 -7.995 1.614 1.00 0.00 N ATOM 1051 CA TYR B 21 11.660 -7.590 0.565 1.00 0.00 C ATOM 1052 C TYR B 21 12.384 -7.443 -0.775 1.00 0.00 C ATOM 1053 O TYR B 21 13.614 -7.387 -0.847 1.00 0.00 O ATOM 1054 CB TYR B 21 10.944 -6.301 0.989 1.00 0.00 C ATOM 1055 CG TYR B 21 10.027 -6.514 2.178 1.00 0.00 C ATOM 1056 CD1 TYR B 21 8.749 -7.065 1.973 1.00 0.00 C ATOM 1057 CD2 TYR B 21 10.467 -6.234 3.486 1.00 0.00 C ATOM 1058 CE1 TYR B 21 7.906 -7.332 3.063 1.00 0.00 C ATOM 1059 CE2 TYR B 21 9.632 -6.508 4.585 1.00 0.00 C ATOM 1060 CZ TYR B 21 8.340 -7.046 4.376 1.00 0.00 C ATOM 1061 OH TYR B 21 7.504 -7.242 5.428 1.00 0.00 O ATOM 0 H TYR B 21 12.942 -7.226 2.182 1.00 0.00 H new ATOM 0 HA TYR B 21 10.905 -8.363 0.424 1.00 0.00 H new ATOM 0 HB2 TYR B 21 11.685 -5.541 1.237 1.00 0.00 H new ATOM 0 HB3 TYR B 21 10.363 -5.918 0.150 1.00 0.00 H new ATOM 0 HD1 TYR B 21 8.414 -7.284 0.970 1.00 0.00 H new ATOM 0 HD2 TYR B 21 11.447 -5.808 3.646 1.00 0.00 H new ATOM 0 HE1 TYR B 21 6.926 -7.756 2.898 1.00 0.00 H new ATOM 0 HE2 TYR B 21 9.977 -6.308 5.588 1.00 0.00 H new ATOM 0 HH TYR B 21 6.597 -6.964 5.181 1.00 0.00 H new ATOM 1071 N SER B 22 11.615 -7.376 -1.854 1.00 0.00 N ATOM 1072 CA SER B 22 12.094 -7.221 -3.212 1.00 0.00 C ATOM 1073 C SER B 22 11.886 -5.770 -3.645 1.00 0.00 C ATOM 1074 O SER B 22 10.942 -5.115 -3.190 1.00 0.00 O ATOM 1075 CB SER B 22 11.314 -8.175 -4.120 1.00 0.00 C ATOM 1076 OG SER B 22 11.488 -9.529 -3.736 1.00 0.00 O ATOM 0 H SER B 22 10.598 -7.431 -1.799 1.00 0.00 H new ATOM 0 HA SER B 22 13.156 -7.459 -3.278 1.00 0.00 H new ATOM 0 HB2 SER B 22 10.254 -7.922 -4.088 1.00 0.00 H new ATOM 0 HB3 SER B 22 11.642 -8.045 -5.151 1.00 0.00 H new ATOM 0 HG SER B 22 10.974 -10.108 -4.337 1.00 0.00 H new ATOM 1082 N TYR B 23 12.721 -5.281 -4.569 1.00 0.00 N ATOM 1083 CA TYR B 23 12.625 -3.908 -5.070 1.00 0.00 C ATOM 1084 C TYR B 23 11.223 -3.620 -5.619 1.00 0.00 C ATOM 1085 O TYR B 23 10.698 -2.525 -5.423 1.00 0.00 O ATOM 1086 CB TYR B 23 13.703 -3.648 -6.135 1.00 0.00 C ATOM 1087 CG TYR B 23 13.812 -2.200 -6.566 1.00 0.00 C ATOM 1088 CD1 TYR B 23 14.301 -1.244 -5.658 1.00 0.00 C ATOM 1089 CD2 TYR B 23 13.452 -1.807 -7.870 1.00 0.00 C ATOM 1090 CE1 TYR B 23 14.446 0.094 -6.050 1.00 0.00 C ATOM 1091 CE2 TYR B 23 13.582 -0.464 -8.266 1.00 0.00 C ATOM 1092 CZ TYR B 23 14.088 0.490 -7.355 1.00 0.00 C ATOM 1093 OH TYR B 23 14.214 1.796 -7.701 1.00 0.00 O ATOM 0 H TYR B 23 13.477 -5.823 -4.987 1.00 0.00 H new ATOM 0 HA TYR B 23 12.799 -3.226 -4.237 1.00 0.00 H new ATOM 0 HB2 TYR B 23 14.668 -3.974 -5.746 1.00 0.00 H new ATOM 0 HB3 TYR B 23 13.489 -4.261 -7.010 1.00 0.00 H new ATOM 0 HD1 TYR B 23 14.566 -1.542 -4.654 1.00 0.00 H new ATOM 0 HD2 TYR B 23 13.075 -2.540 -8.568 1.00 0.00 H new ATOM 0 HE1 TYR B 23 14.832 0.822 -5.352 1.00 0.00 H new ATOM 0 HE2 TYR B 23 13.296 -0.163 -9.263 1.00 0.00 H new ATOM 0 HH TYR B 23 13.930 1.917 -8.631 1.00 0.00 H new ATOM 1103 N GLN B 24 10.610 -4.622 -6.259 1.00 0.00 N ATOM 1104 CA GLN B 24 9.280 -4.539 -6.837 1.00 0.00 C ATOM 1105 C GLN B 24 8.253 -4.078 -5.803 1.00 0.00 C ATOM 1106 O GLN B 24 7.658 -3.014 -5.951 1.00 0.00 O ATOM 1107 CB GLN B 24 8.852 -5.904 -7.397 1.00 0.00 C ATOM 1108 CG GLN B 24 9.668 -6.405 -8.596 1.00 0.00 C ATOM 1109 CD GLN B 24 9.155 -7.769 -9.051 1.00 0.00 C ATOM 1110 OE1 GLN B 24 9.889 -8.749 -9.147 1.00 0.00 O ATOM 1111 NE2 GLN B 24 7.871 -7.906 -9.321 1.00 0.00 N ATOM 0 H GLN B 24 11.045 -5.536 -6.388 1.00 0.00 H new ATOM 0 HA GLN B 24 9.320 -3.807 -7.644 1.00 0.00 H new ATOM 0 HB2 GLN B 24 8.919 -6.643 -6.599 1.00 0.00 H new ATOM 0 HB3 GLN B 24 7.804 -5.846 -7.691 1.00 0.00 H new ATOM 0 HG2 GLN B 24 9.599 -5.690 -9.416 1.00 0.00 H new ATOM 0 HG3 GLN B 24 10.721 -6.477 -8.324 1.00 0.00 H new ATOM 0 HE21 GLN B 24 7.246 -7.103 -9.247 1.00 0.00 H new ATOM 0 HE22 GLN B 24 7.503 -8.814 -9.604 1.00 0.00 H new ATOM 1120 N ASP B 25 8.047 -4.887 -4.762 1.00 0.00 N ATOM 1121 CA ASP B 25 7.093 -4.637 -3.688 1.00 0.00 C ATOM 1122 C ASP B 25 7.363 -3.311 -3.003 1.00 0.00 C ATOM 1123 O ASP B 25 6.426 -2.554 -2.762 1.00 0.00 O ATOM 1124 CB ASP B 25 7.138 -5.772 -2.662 1.00 0.00 C ATOM 1125 CG ASP B 25 6.645 -7.073 -3.272 1.00 0.00 C ATOM 1126 OD1 ASP B 25 5.413 -7.250 -3.392 1.00 0.00 O ATOM 1127 OD2 ASP B 25 7.496 -7.896 -3.680 1.00 0.00 O ATOM 0 H ASP B 25 8.558 -5.762 -4.643 1.00 0.00 H new ATOM 0 HA ASP B 25 6.099 -4.592 -4.133 1.00 0.00 H new ATOM 0 HB2 ASP B 25 8.158 -5.899 -2.299 1.00 0.00 H new ATOM 0 HB3 ASP B 25 6.523 -5.513 -1.800 1.00 0.00 H new ATOM 1132 N ILE B 26 8.627 -3.004 -2.691 1.00 0.00 N ATOM 1133 CA ILE B 26 8.962 -1.748 -2.024 1.00 0.00 C ATOM 1134 C ILE B 26 8.515 -0.579 -2.904 1.00 0.00 C ATOM 1135 O ILE B 26 7.886 0.347 -2.393 1.00 0.00 O ATOM 1136 CB ILE B 26 10.453 -1.684 -1.630 1.00 0.00 C ATOM 1137 CG1 ILE B 26 10.867 -2.855 -0.707 1.00 0.00 C ATOM 1138 CG2 ILE B 26 10.732 -0.357 -0.897 1.00 0.00 C ATOM 1139 CD1 ILE B 26 12.370 -3.128 -0.798 1.00 0.00 C ATOM 0 H ILE B 26 9.427 -3.605 -2.889 1.00 0.00 H new ATOM 0 HA ILE B 26 8.421 -1.682 -1.080 1.00 0.00 H new ATOM 0 HB ILE B 26 11.035 -1.755 -2.549 1.00 0.00 H new ATOM 0 HG12 ILE B 26 10.599 -2.621 0.323 1.00 0.00 H new ATOM 0 HG13 ILE B 26 10.314 -3.753 -0.984 1.00 0.00 H new ATOM 0 HG21 ILE B 26 11.785 -0.310 -0.618 1.00 0.00 H new ATOM 0 HG22 ILE B 26 10.493 0.479 -1.554 1.00 0.00 H new ATOM 0 HG23 ILE B 26 10.116 -0.300 0.000 1.00 0.00 H new ATOM 0 HD11 ILE B 26 12.630 -3.956 -0.138 1.00 0.00 H new ATOM 0 HD12 ILE B 26 12.631 -3.386 -1.824 1.00 0.00 H new ATOM 0 HD13 ILE B 26 12.921 -2.237 -0.496 1.00 0.00 H new ATOM 1151 N GLN B 27 8.819 -0.609 -4.206 1.00 0.00 N ATOM 1152 CA GLN B 27 8.416 0.448 -5.118 1.00 0.00 C ATOM 1153 C GLN B 27 6.894 0.512 -5.212 1.00 0.00 C ATOM 1154 O GLN B 27 6.331 1.566 -4.938 1.00 0.00 O ATOM 1155 CB GLN B 27 9.052 0.251 -6.503 1.00 0.00 C ATOM 1156 CG GLN B 27 10.536 0.645 -6.522 1.00 0.00 C ATOM 1157 CD GLN B 27 10.759 2.125 -6.208 1.00 0.00 C ATOM 1158 OE1 GLN B 27 9.877 2.968 -6.375 1.00 0.00 O ATOM 1159 NE2 GLN B 27 11.935 2.484 -5.731 1.00 0.00 N ATOM 0 H GLN B 27 9.347 -1.362 -4.647 1.00 0.00 H new ATOM 0 HA GLN B 27 8.774 1.400 -4.726 1.00 0.00 H new ATOM 0 HB2 GLN B 27 8.951 -0.792 -6.802 1.00 0.00 H new ATOM 0 HB3 GLN B 27 8.510 0.847 -7.238 1.00 0.00 H new ATOM 0 HG2 GLN B 27 11.078 0.038 -5.796 1.00 0.00 H new ATOM 0 HG3 GLN B 27 10.955 0.419 -7.503 1.00 0.00 H new ATOM 0 HE21 GLN B 27 12.665 1.785 -5.593 1.00 0.00 H new ATOM 0 HE22 GLN B 27 12.115 3.461 -5.500 1.00 0.00 H new ATOM 1168 N LYS B 28 6.213 -0.586 -5.555 1.00 0.00 N ATOM 1169 CA LYS B 28 4.750 -0.626 -5.670 1.00 0.00 C ATOM 1170 C LYS B 28 4.092 -0.053 -4.411 1.00 0.00 C ATOM 1171 O LYS B 28 3.101 0.670 -4.497 1.00 0.00 O ATOM 1172 CB LYS B 28 4.303 -2.071 -5.981 1.00 0.00 C ATOM 1173 CG LYS B 28 4.488 -2.415 -7.476 1.00 0.00 C ATOM 1174 CD LYS B 28 4.873 -3.871 -7.795 1.00 0.00 C ATOM 1175 CE LYS B 28 3.970 -4.944 -7.178 1.00 0.00 C ATOM 1176 NZ LYS B 28 2.650 -5.062 -7.837 1.00 0.00 N ATOM 0 H LYS B 28 6.663 -1.478 -5.762 1.00 0.00 H new ATOM 0 HA LYS B 28 4.422 0.005 -6.496 1.00 0.00 H new ATOM 0 HB2 LYS B 28 4.878 -2.769 -5.373 1.00 0.00 H new ATOM 0 HB3 LYS B 28 3.256 -2.196 -5.705 1.00 0.00 H new ATOM 0 HG2 LYS B 28 3.560 -2.184 -7.998 1.00 0.00 H new ATOM 0 HG3 LYS B 28 5.256 -1.760 -7.886 1.00 0.00 H new ATOM 0 HD2 LYS B 28 4.872 -3.999 -8.877 1.00 0.00 H new ATOM 0 HD3 LYS B 28 5.894 -4.041 -7.454 1.00 0.00 H new ATOM 0 HE2 LYS B 28 4.478 -5.907 -7.228 1.00 0.00 H new ATOM 0 HE3 LYS B 28 3.820 -4.717 -6.122 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 1.946 -5.393 -7.147 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 2.363 -4.134 -8.207 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 2.713 -5.743 -8.621 1.00 0.00 H new ATOM 1190 N ALA B 29 4.643 -0.351 -3.237 1.00 0.00 N ATOM 1191 CA ALA B 29 4.134 0.133 -1.963 1.00 0.00 C ATOM 1192 C ALA B 29 4.387 1.635 -1.872 1.00 0.00 C ATOM 1193 O ALA B 29 3.436 2.371 -1.651 1.00 0.00 O ATOM 1194 CB ALA B 29 4.759 -0.626 -0.790 1.00 0.00 C ATOM 0 H ALA B 29 5.468 -0.944 -3.146 1.00 0.00 H new ATOM 0 HA ALA B 29 3.061 -0.048 -1.905 1.00 0.00 H new ATOM 0 HB1 ALA B 29 4.358 -0.241 0.148 1.00 0.00 H new ATOM 0 HB2 ALA B 29 4.524 -1.687 -0.877 1.00 0.00 H new ATOM 0 HB3 ALA B 29 5.841 -0.492 -0.805 1.00 0.00 H new ATOM 1200 N LEU B 30 5.629 2.099 -2.059 1.00 0.00 N ATOM 1201 CA LEU B 30 6.022 3.512 -2.005 1.00 0.00 C ATOM 1202 C LEU B 30 5.162 4.383 -2.905 1.00 0.00 C ATOM 1203 O LEU B 30 4.717 5.452 -2.492 1.00 0.00 O ATOM 1204 CB LEU B 30 7.485 3.692 -2.449 1.00 0.00 C ATOM 1205 CG LEU B 30 8.514 3.521 -1.330 1.00 0.00 C ATOM 1206 CD1 LEU B 30 9.907 3.438 -1.951 1.00 0.00 C ATOM 1207 CD2 LEU B 30 8.480 4.714 -0.363 1.00 0.00 C ATOM 0 H LEU B 30 6.414 1.480 -2.259 1.00 0.00 H new ATOM 0 HA LEU B 30 5.890 3.820 -0.968 1.00 0.00 H new ATOM 0 HB2 LEU B 30 7.703 2.973 -3.238 1.00 0.00 H new ATOM 0 HB3 LEU B 30 7.600 4.685 -2.882 1.00 0.00 H new ATOM 0 HG LEU B 30 8.277 2.613 -0.776 1.00 0.00 H new ATOM 0 HD11 LEU B 30 10.650 3.316 -1.163 1.00 0.00 H new ATOM 0 HD12 LEU B 30 9.953 2.585 -2.628 1.00 0.00 H new ATOM 0 HD13 LEU B 30 10.113 4.353 -2.505 1.00 0.00 H new ATOM 0 HD21 LEU B 30 9.221 4.567 0.423 1.00 0.00 H new ATOM 0 HD22 LEU B 30 8.706 5.631 -0.908 1.00 0.00 H new ATOM 0 HD23 LEU B 30 7.489 4.792 0.083 1.00 0.00 H new ATOM 1219 N VAL B 31 4.964 3.942 -4.140 1.00 0.00 N ATOM 1220 CA VAL B 31 4.185 4.616 -5.159 1.00 0.00 C ATOM 1221 C VAL B 31 2.774 4.848 -4.617 1.00 0.00 C ATOM 1222 O VAL B 31 2.329 5.995 -4.521 1.00 0.00 O ATOM 1223 CB VAL B 31 4.242 3.747 -6.435 1.00 0.00 C ATOM 1224 CG1 VAL B 31 3.278 4.221 -7.524 1.00 0.00 C ATOM 1225 CG2 VAL B 31 5.664 3.716 -7.023 1.00 0.00 C ATOM 0 H VAL B 31 5.363 3.063 -4.470 1.00 0.00 H new ATOM 0 HA VAL B 31 4.576 5.600 -5.419 1.00 0.00 H new ATOM 0 HB VAL B 31 3.941 2.748 -6.121 1.00 0.00 H new ATOM 0 HG11 VAL B 31 3.365 3.571 -8.395 1.00 0.00 H new ATOM 0 HG12 VAL B 31 2.256 4.187 -7.146 1.00 0.00 H new ATOM 0 HG13 VAL B 31 3.525 5.244 -7.809 1.00 0.00 H new ATOM 0 HG21 VAL B 31 5.673 3.097 -7.920 1.00 0.00 H new ATOM 0 HG22 VAL B 31 5.974 4.729 -7.278 1.00 0.00 H new ATOM 0 HG23 VAL B 31 6.353 3.300 -6.288 1.00 0.00 H new ATOM 1235 N ILE B 32 2.087 3.777 -4.223 1.00 0.00 N ATOM 1236 CA ILE B 32 0.729 3.852 -3.699 1.00 0.00 C ATOM 1237 C ILE B 32 0.715 4.587 -2.345 1.00 0.00 C ATOM 1238 O ILE B 32 -0.292 5.190 -1.978 1.00 0.00 O ATOM 1239 CB ILE B 32 0.145 2.422 -3.642 1.00 0.00 C ATOM 1240 CG1 ILE B 32 0.140 1.718 -5.026 1.00 0.00 C ATOM 1241 CG2 ILE B 32 -1.291 2.469 -3.103 1.00 0.00 C ATOM 1242 CD1 ILE B 32 -0.058 0.196 -5.008 1.00 0.00 C ATOM 0 H ILE B 32 2.461 2.829 -4.260 1.00 0.00 H new ATOM 0 HA ILE B 32 0.087 4.441 -4.354 1.00 0.00 H new ATOM 0 HB ILE B 32 0.790 1.845 -2.979 1.00 0.00 H new ATOM 0 HG12 ILE B 32 -0.650 2.160 -5.633 1.00 0.00 H new ATOM 0 HG13 ILE B 32 1.084 1.935 -5.525 1.00 0.00 H new ATOM 0 HG21 ILE B 32 -1.698 1.459 -3.065 1.00 0.00 H new ATOM 0 HG22 ILE B 32 -1.290 2.898 -2.101 1.00 0.00 H new ATOM 0 HG23 ILE B 32 -1.906 3.084 -3.760 1.00 0.00 H new ATOM 0 HD11 ILE B 32 -0.044 -0.185 -6.029 1.00 0.00 H new ATOM 0 HD12 ILE B 32 0.745 -0.269 -4.436 1.00 0.00 H new ATOM 0 HD13 ILE B 32 -1.016 -0.041 -4.546 1.00 0.00 H new ATOM 1254 N ALA B 33 1.822 4.591 -1.601 1.00 0.00 N ATOM 1255 CA ALA B 33 1.978 5.249 -0.310 1.00 0.00 C ATOM 1256 C ALA B 33 2.327 6.735 -0.464 1.00 0.00 C ATOM 1257 O ALA B 33 2.766 7.344 0.507 1.00 0.00 O ATOM 1258 CB ALA B 33 3.025 4.523 0.537 1.00 0.00 C ATOM 0 H ALA B 33 2.672 4.112 -1.899 1.00 0.00 H new ATOM 0 HA ALA B 33 1.019 5.198 0.206 1.00 0.00 H new ATOM 0 HB1 ALA B 33 3.129 5.027 1.498 1.00 0.00 H new ATOM 0 HB2 ALA B 33 2.710 3.492 0.700 1.00 0.00 H new ATOM 0 HB3 ALA B 33 3.983 4.531 0.017 1.00 0.00 H new ATOM 1264 N HIS B 34 2.149 7.330 -1.648 1.00 0.00 N ATOM 1265 CA HIS B 34 2.447 8.734 -1.917 1.00 0.00 C ATOM 1266 C HIS B 34 3.888 9.077 -1.494 1.00 0.00 C ATOM 1267 O HIS B 34 4.151 10.102 -0.864 1.00 0.00 O ATOM 1268 CB HIS B 34 1.392 9.659 -1.275 1.00 0.00 C ATOM 1269 CG HIS B 34 -0.044 9.532 -1.741 1.00 0.00 C ATOM 1270 ND1 HIS B 34 -0.566 8.679 -2.681 1.00 0.00 N flip ATOM 1271 CD2 HIS B 34 -1.085 10.298 -1.264 1.00 0.00 C flip ATOM 1272 CE1 HIS B 34 -1.946 8.926 -2.772 1.00 0.00 C flip ATOM 1273 NE2 HIS B 34 -2.204 9.915 -1.895 1.00 0.00 N flip ATOM 0 H HIS B 34 1.785 6.835 -2.462 1.00 0.00 H new ATOM 0 HA HIS B 34 2.388 8.905 -2.992 1.00 0.00 H new ATOM 0 HB2 HIS B 34 1.410 9.489 -0.198 1.00 0.00 H new ATOM 0 HB3 HIS B 34 1.707 10.689 -1.440 1.00 0.00 H new ATOM 0 HD2 HIS B 34 -1.012 11.071 -0.514 1.00 0.00 H new ATOM 0 HE1 HIS B 34 -2.655 8.425 -3.414 1.00 0.00 H new ATOM 0 HE2 HIS B 34 -3.127 10.318 -1.733 1.00 0.00 H new ATOM 1281 N ASN B 35 4.841 8.212 -1.862 1.00 0.00 N ATOM 1282 CA ASN B 35 6.275 8.330 -1.587 1.00 0.00 C ATOM 1283 C ASN B 35 6.623 8.317 -0.089 1.00 0.00 C ATOM 1284 O ASN B 35 7.653 8.866 0.305 1.00 0.00 O ATOM 1285 CB ASN B 35 6.885 9.534 -2.341 1.00 0.00 C ATOM 1286 CG ASN B 35 6.746 9.418 -3.852 1.00 0.00 C ATOM 1287 OD1 ASN B 35 5.858 10.005 -4.468 1.00 0.00 O ATOM 1288 ND2 ASN B 35 7.592 8.634 -4.490 1.00 0.00 N ATOM 0 H ASN B 35 4.619 7.367 -2.388 1.00 0.00 H new ATOM 0 HA ASN B 35 6.744 7.427 -1.978 1.00 0.00 H new ATOM 0 HB2 ASN B 35 6.399 10.450 -2.006 1.00 0.00 H new ATOM 0 HB3 ASN B 35 7.941 9.620 -2.084 1.00 0.00 H new ATOM 0 HD21 ASN B 35 7.512 8.512 -5.499 1.00 0.00 H new ATOM 0 HD22 ASN B 35 8.327 8.150 -3.974 1.00 0.00 H new ATOM 1295 N ASN B 36 5.790 7.716 0.766 1.00 0.00 N ATOM 1296 CA ASN B 36 6.005 7.619 2.212 1.00 0.00 C ATOM 1297 C ASN B 36 6.576 6.230 2.536 1.00 0.00 C ATOM 1298 O ASN B 36 5.872 5.225 2.405 1.00 0.00 O ATOM 1299 CB ASN B 36 4.678 7.874 2.939 1.00 0.00 C ATOM 1300 CG ASN B 36 4.807 7.824 4.455 1.00 0.00 C ATOM 1301 OD1 ASN B 36 5.654 7.140 5.019 1.00 0.00 O ATOM 1302 ND2 ASN B 36 3.914 8.489 5.156 1.00 0.00 N ATOM 0 H ASN B 36 4.924 7.271 0.462 1.00 0.00 H new ATOM 0 HA ASN B 36 6.720 8.369 2.550 1.00 0.00 H new ATOM 0 HB2 ASN B 36 4.292 8.850 2.645 1.00 0.00 H new ATOM 0 HB3 ASN B 36 3.947 7.132 2.618 1.00 0.00 H new ATOM 0 HD21 ASN B 36 3.924 8.437 6.175 1.00 0.00 H new ATOM 0 HD22 ASN B 36 3.212 9.056 4.681 1.00 0.00 H new ATOM 1309 N ILE B 37 7.850 6.157 2.939 1.00 0.00 N ATOM 1310 CA ILE B 37 8.545 4.909 3.274 1.00 0.00 C ATOM 1311 C ILE B 37 7.915 4.169 4.464 1.00 0.00 C ATOM 1312 O ILE B 37 7.899 2.939 4.464 1.00 0.00 O ATOM 1313 CB ILE B 37 10.054 5.207 3.506 1.00 0.00 C ATOM 1314 CG1 ILE B 37 10.968 3.957 3.567 1.00 0.00 C ATOM 1315 CG2 ILE B 37 10.288 6.006 4.802 1.00 0.00 C ATOM 1316 CD1 ILE B 37 11.374 3.379 2.206 1.00 0.00 C ATOM 0 H ILE B 37 8.439 6.983 3.044 1.00 0.00 H new ATOM 0 HA ILE B 37 8.440 4.228 2.429 1.00 0.00 H new ATOM 0 HB ILE B 37 10.329 5.785 2.624 1.00 0.00 H new ATOM 0 HG12 ILE B 37 11.872 4.214 4.119 1.00 0.00 H new ATOM 0 HG13 ILE B 37 10.457 3.180 4.136 1.00 0.00 H new ATOM 0 HG21 ILE B 37 11.355 6.193 4.927 1.00 0.00 H new ATOM 0 HG22 ILE B 37 9.757 6.956 4.744 1.00 0.00 H new ATOM 0 HG23 ILE B 37 9.918 5.435 5.653 1.00 0.00 H new ATOM 0 HD11 ILE B 37 12.012 2.508 2.356 1.00 0.00 H new ATOM 0 HD12 ILE B 37 10.481 3.084 1.655 1.00 0.00 H new ATOM 0 HD13 ILE B 37 11.918 4.134 1.638 1.00 0.00 H new ATOM 1328 N GLU B 38 7.429 4.875 5.487 1.00 0.00 N ATOM 1329 CA GLU B 38 6.835 4.282 6.687 1.00 0.00 C ATOM 1330 C GLU B 38 5.466 3.693 6.394 1.00 0.00 C ATOM 1331 O GLU B 38 5.169 2.565 6.797 1.00 0.00 O ATOM 1332 CB GLU B 38 6.775 5.316 7.814 1.00 0.00 C ATOM 1333 CG GLU B 38 8.198 5.801 8.152 1.00 0.00 C ATOM 1334 CD GLU B 38 8.400 6.186 9.616 1.00 0.00 C ATOM 1335 OE1 GLU B 38 7.516 6.843 10.201 1.00 0.00 O ATOM 1336 OE2 GLU B 38 9.467 5.842 10.184 1.00 0.00 O ATOM 0 H GLU B 38 7.437 5.895 5.505 1.00 0.00 H new ATOM 0 HA GLU B 38 7.470 3.459 7.015 1.00 0.00 H new ATOM 0 HB2 GLU B 38 6.155 6.160 7.513 1.00 0.00 H new ATOM 0 HB3 GLU B 38 6.310 4.878 8.698 1.00 0.00 H new ATOM 0 HG2 GLU B 38 8.908 5.015 7.894 1.00 0.00 H new ATOM 0 HG3 GLU B 38 8.434 6.662 7.526 1.00 0.00 H new ATOM 1343 N MET B 39 4.651 4.445 5.664 1.00 0.00 N ATOM 1344 CA MET B 39 3.322 4.037 5.258 1.00 0.00 C ATOM 1345 C MET B 39 3.494 2.781 4.414 1.00 0.00 C ATOM 1346 O MET B 39 2.829 1.775 4.652 1.00 0.00 O ATOM 1347 CB MET B 39 2.710 5.191 4.475 1.00 0.00 C ATOM 1348 CG MET B 39 1.213 5.113 4.238 1.00 0.00 C ATOM 1349 SD MET B 39 0.601 6.713 3.624 1.00 0.00 S ATOM 1350 CE MET B 39 -1.192 6.489 3.698 1.00 0.00 C ATOM 0 H MET B 39 4.906 5.375 5.333 1.00 0.00 H new ATOM 0 HA MET B 39 2.657 3.810 6.091 1.00 0.00 H new ATOM 0 HB2 MET B 39 2.926 6.119 5.005 1.00 0.00 H new ATOM 0 HB3 MET B 39 3.208 5.253 3.508 1.00 0.00 H new ATOM 0 HG2 MET B 39 0.990 4.327 3.516 1.00 0.00 H new ATOM 0 HG3 MET B 39 0.702 4.849 5.164 1.00 0.00 H new ATOM 0 HE1 MET B 39 -1.687 7.429 3.452 1.00 0.00 H new ATOM 0 HE2 MET B 39 -1.493 5.722 2.984 1.00 0.00 H new ATOM 0 HE3 MET B 39 -1.479 6.181 4.703 1.00 0.00 H new ATOM 1360 N ALA B 40 4.445 2.804 3.471 1.00 0.00 N ATOM 1361 CA ALA B 40 4.727 1.669 2.618 1.00 0.00 C ATOM 1362 C ALA B 40 5.155 0.458 3.463 1.00 0.00 C ATOM 1363 O ALA B 40 4.735 -0.655 3.152 1.00 0.00 O ATOM 1364 CB ALA B 40 5.761 2.064 1.563 1.00 0.00 C ATOM 0 H ALA B 40 5.034 3.616 3.287 1.00 0.00 H new ATOM 0 HA ALA B 40 3.825 1.367 2.085 1.00 0.00 H new ATOM 0 HB1 ALA B 40 5.972 1.208 0.922 1.00 0.00 H new ATOM 0 HB2 ALA B 40 5.370 2.882 0.959 1.00 0.00 H new ATOM 0 HB3 ALA B 40 6.679 2.383 2.055 1.00 0.00 H new ATOM 1370 N LYS B 41 5.928 0.627 4.549 1.00 0.00 N ATOM 1371 CA LYS B 41 6.327 -0.508 5.395 1.00 0.00 C ATOM 1372 C LYS B 41 5.081 -1.164 5.980 1.00 0.00 C ATOM 1373 O LYS B 41 5.026 -2.391 6.043 1.00 0.00 O ATOM 1374 CB LYS B 41 7.247 -0.088 6.547 1.00 0.00 C ATOM 1375 CG LYS B 41 8.678 0.205 6.100 1.00 0.00 C ATOM 1376 CD LYS B 41 9.421 1.013 7.169 1.00 0.00 C ATOM 1377 CE LYS B 41 10.768 1.510 6.635 1.00 0.00 C ATOM 1378 NZ LYS B 41 11.873 1.100 7.512 1.00 0.00 N ATOM 0 H LYS B 41 6.286 1.531 4.859 1.00 0.00 H new ATOM 0 HA LYS B 41 6.879 -1.203 4.762 1.00 0.00 H new ATOM 0 HB2 LYS B 41 6.835 0.799 7.027 1.00 0.00 H new ATOM 0 HB3 LYS B 41 7.263 -0.878 7.297 1.00 0.00 H new ATOM 0 HG2 LYS B 41 9.205 -0.730 5.912 1.00 0.00 H new ATOM 0 HG3 LYS B 41 8.666 0.758 5.161 1.00 0.00 H new ATOM 0 HD2 LYS B 41 8.812 1.862 7.479 1.00 0.00 H new ATOM 0 HD3 LYS B 41 9.580 0.396 8.053 1.00 0.00 H new ATOM 0 HE2 LYS B 41 10.932 1.116 5.632 1.00 0.00 H new ATOM 0 HE3 LYS B 41 10.750 2.597 6.552 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 12.772 1.451 7.125 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 11.727 1.496 8.462 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 11.903 0.062 7.571 1.00 0.00 H new ATOM 1392 N ASN B 42 4.085 -0.369 6.391 1.00 0.00 N ATOM 1393 CA ASN B 42 2.839 -0.894 6.946 1.00 0.00 C ATOM 1394 C ASN B 42 2.154 -1.757 5.886 1.00 0.00 C ATOM 1395 O ASN B 42 1.656 -2.835 6.216 1.00 0.00 O ATOM 1396 CB ASN B 42 1.905 0.224 7.439 1.00 0.00 C ATOM 1397 CG ASN B 42 2.353 0.918 8.717 1.00 0.00 C ATOM 1398 OD1 ASN B 42 3.147 0.388 9.492 1.00 0.00 O ATOM 1399 ND2 ASN B 42 1.830 2.101 8.976 1.00 0.00 N ATOM 0 H ASN B 42 4.123 0.649 6.347 1.00 0.00 H new ATOM 0 HA ASN B 42 3.075 -1.500 7.821 1.00 0.00 H new ATOM 0 HB2 ASN B 42 1.810 0.971 6.651 1.00 0.00 H new ATOM 0 HB3 ASN B 42 0.913 -0.197 7.600 1.00 0.00 H new ATOM 0 HD21 ASN B 42 2.083 2.594 9.833 1.00 0.00 H new ATOM 0 HD22 ASN B 42 1.173 2.523 8.320 1.00 0.00 H new ATOM 1406 N ILE B 43 2.137 -1.314 4.620 1.00 0.00 N ATOM 1407 CA ILE B 43 1.542 -2.057 3.503 1.00 0.00 C ATOM 1408 C ILE B 43 2.292 -3.389 3.405 1.00 0.00 C ATOM 1409 O ILE B 43 1.701 -4.471 3.408 1.00 0.00 O ATOM 1410 CB ILE B 43 1.620 -1.255 2.176 1.00 0.00 C ATOM 1411 CG1 ILE B 43 0.928 0.114 2.304 1.00 0.00 C ATOM 1412 CG2 ILE B 43 0.975 -2.048 1.046 1.00 0.00 C ATOM 1413 CD1 ILE B 43 0.937 0.988 1.054 1.00 0.00 C ATOM 0 H ILE B 43 2.541 -0.420 4.342 1.00 0.00 H new ATOM 0 HA ILE B 43 0.480 -2.229 3.680 1.00 0.00 H new ATOM 0 HB ILE B 43 2.673 -1.087 1.952 1.00 0.00 H new ATOM 0 HG12 ILE B 43 -0.108 -0.051 2.600 1.00 0.00 H new ATOM 0 HG13 ILE B 43 1.406 0.666 3.113 1.00 0.00 H new ATOM 0 HG21 ILE B 43 1.035 -1.476 0.120 1.00 0.00 H new ATOM 0 HG22 ILE B 43 1.498 -2.996 0.922 1.00 0.00 H new ATOM 0 HG23 ILE B 43 -0.071 -2.240 1.287 1.00 0.00 H new ATOM 0 HD11 ILE B 43 0.422 1.926 1.262 1.00 0.00 H new ATOM 0 HD12 ILE B 43 1.967 1.196 0.763 1.00 0.00 H new ATOM 0 HD13 ILE B 43 0.429 0.467 0.242 1.00 0.00 H new ATOM 1425 N LEU B 44 3.624 -3.320 3.388 1.00 0.00 N ATOM 1426 CA LEU B 44 4.486 -4.486 3.310 1.00 0.00 C ATOM 1427 C LEU B 44 4.356 -5.392 4.544 1.00 0.00 C ATOM 1428 O LEU B 44 4.967 -6.458 4.571 1.00 0.00 O ATOM 1429 CB LEU B 44 5.955 -4.064 3.114 1.00 0.00 C ATOM 1430 CG LEU B 44 6.280 -3.350 1.789 1.00 0.00 C ATOM 1431 CD1 LEU B 44 7.758 -2.947 1.798 1.00 0.00 C ATOM 1432 CD2 LEU B 44 5.988 -4.223 0.564 1.00 0.00 C ATOM 0 H LEU B 44 4.135 -2.438 3.429 1.00 0.00 H new ATOM 0 HA LEU B 44 4.160 -5.063 2.445 1.00 0.00 H new ATOM 0 HB2 LEU B 44 6.237 -3.407 3.937 1.00 0.00 H new ATOM 0 HB3 LEU B 44 6.581 -4.953 3.188 1.00 0.00 H new ATOM 0 HG LEU B 44 5.638 -2.472 1.713 1.00 0.00 H new ATOM 0 HD11 LEU B 44 8.003 -2.440 0.865 1.00 0.00 H new ATOM 0 HD12 LEU B 44 7.947 -2.276 2.636 1.00 0.00 H new ATOM 0 HD13 LEU B 44 8.377 -3.838 1.900 1.00 0.00 H new ATOM 0 HD21 LEU B 44 6.235 -3.671 -0.343 1.00 0.00 H new ATOM 0 HD22 LEU B 44 6.590 -5.130 0.612 1.00 0.00 H new ATOM 0 HD23 LEU B 44 4.931 -4.489 0.551 1.00 0.00 H new ATOM 1444 N ARG B 45 3.621 -4.994 5.587 1.00 0.00 N ATOM 1445 CA ARG B 45 3.431 -5.768 6.804 1.00 0.00 C ATOM 1446 C ARG B 45 2.124 -6.545 6.727 1.00 0.00 C ATOM 1447 O ARG B 45 2.159 -7.762 6.646 1.00 0.00 O ATOM 1448 CB ARG B 45 3.465 -4.839 8.038 1.00 0.00 C ATOM 1449 CG ARG B 45 3.833 -5.580 9.335 1.00 0.00 C ATOM 1450 CD ARG B 45 5.297 -5.310 9.704 1.00 0.00 C ATOM 1451 NE ARG B 45 5.610 -5.809 11.047 1.00 0.00 N ATOM 1452 CZ ARG B 45 6.751 -5.634 11.720 1.00 0.00 C ATOM 1453 NH1 ARG B 45 7.818 -5.080 11.154 1.00 0.00 N ATOM 1454 NH2 ARG B 45 6.789 -6.012 12.989 1.00 0.00 N ATOM 0 H ARG B 45 3.131 -4.099 5.602 1.00 0.00 H new ATOM 0 HA ARG B 45 4.245 -6.486 6.906 1.00 0.00 H new ATOM 0 HB2 ARG B 45 4.186 -4.040 7.865 1.00 0.00 H new ATOM 0 HB3 ARG B 45 2.490 -4.368 8.159 1.00 0.00 H new ATOM 0 HG2 ARG B 45 3.181 -5.255 10.145 1.00 0.00 H new ATOM 0 HG3 ARG B 45 3.674 -6.651 9.208 1.00 0.00 H new ATOM 0 HD2 ARG B 45 5.952 -5.787 8.975 1.00 0.00 H new ATOM 0 HD3 ARG B 45 5.494 -4.239 9.657 1.00 0.00 H new ATOM 0 HE ARG B 45 4.881 -6.346 11.516 1.00 0.00 H new ATOM 0 HH11 ARG B 45 7.779 -4.776 10.181 1.00 0.00 H new ATOM 0 HH12 ARG B 45 8.676 -4.959 11.692 1.00 0.00 H new ATOM 0 HH21 ARG B 45 5.963 -6.423 13.424 1.00 0.00 H new ATOM 0 HH22 ARG B 45 7.645 -5.892 13.531 1.00 0.00 H new ATOM 1468 N GLU B 46 0.984 -5.854 6.708 1.00 0.00 N ATOM 1469 CA GLU B 46 -0.350 -6.465 6.689 1.00 0.00 C ATOM 1470 C GLU B 46 -0.764 -7.076 5.352 1.00 0.00 C ATOM 1471 O GLU B 46 -1.886 -7.571 5.249 1.00 0.00 O ATOM 1472 CB GLU B 46 -1.396 -5.436 7.139 1.00 0.00 C ATOM 1473 CG GLU B 46 -1.242 -5.025 8.616 1.00 0.00 C ATOM 1474 CD GLU B 46 -2.526 -5.202 9.438 1.00 0.00 C ATOM 1475 OE1 GLU B 46 -3.159 -6.285 9.392 1.00 0.00 O ATOM 1476 OE2 GLU B 46 -2.904 -4.245 10.153 1.00 0.00 O ATOM 0 H GLU B 46 0.959 -4.834 6.705 1.00 0.00 H new ATOM 0 HA GLU B 46 -0.297 -7.303 7.384 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -1.318 -4.549 6.511 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -2.393 -5.849 6.985 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -0.446 -5.617 9.068 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -0.930 -3.982 8.664 1.00 0.00 H new ATOM 1483 N PHE B 47 0.086 -7.024 4.327 1.00 0.00 N ATOM 1484 CA PHE B 47 -0.226 -7.605 3.032 1.00 0.00 C ATOM 1485 C PHE B 47 0.976 -8.389 2.521 1.00 0.00 C ATOM 1486 O PHE B 47 0.875 -9.591 2.269 1.00 0.00 O ATOM 1487 CB PHE B 47 -0.659 -6.553 2.016 1.00 0.00 C ATOM 1488 CG PHE B 47 -2.060 -6.004 2.213 1.00 0.00 C ATOM 1489 CD1 PHE B 47 -2.280 -4.890 3.044 1.00 0.00 C ATOM 1490 CD2 PHE B 47 -3.144 -6.569 1.514 1.00 0.00 C ATOM 1491 CE1 PHE B 47 -3.585 -4.418 3.258 1.00 0.00 C ATOM 1492 CE2 PHE B 47 -4.443 -6.070 1.698 1.00 0.00 C ATOM 1493 CZ PHE B 47 -4.666 -5.015 2.595 1.00 0.00 C ATOM 0 H PHE B 47 1.003 -6.580 4.375 1.00 0.00 H new ATOM 0 HA PHE B 47 -1.072 -8.280 3.162 1.00 0.00 H new ATOM 0 HB2 PHE B 47 0.047 -5.724 2.052 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -0.592 -6.986 1.018 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -1.444 -4.397 3.518 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -2.975 -7.390 0.833 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -3.756 -3.594 3.934 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -5.269 -6.498 1.150 1.00 0.00 H new ATOM 0 HZ PHE B 47 -5.671 -4.663 2.775 1.00 0.00 H new ATOM 1503 N SER B 48 2.126 -7.726 2.361 1.00 0.00 N ATOM 1504 CA SER B 48 3.336 -8.392 1.864 1.00 0.00 C ATOM 1505 C SER B 48 4.071 -9.166 2.974 1.00 0.00 C ATOM 1506 O SER B 48 5.098 -9.791 2.706 1.00 0.00 O ATOM 1507 CB SER B 48 4.244 -7.376 1.160 1.00 0.00 C ATOM 1508 OG SER B 48 5.119 -7.981 0.233 1.00 0.00 O ATOM 0 H SER B 48 2.245 -6.734 2.567 1.00 0.00 H new ATOM 0 HA SER B 48 3.037 -9.141 1.131 1.00 0.00 H new ATOM 0 HB2 SER B 48 3.628 -6.639 0.645 1.00 0.00 H new ATOM 0 HB3 SER B 48 4.828 -6.837 1.907 1.00 0.00 H new ATOM 0 HG SER B 48 5.472 -8.813 0.611 1.00 0.00 H new ATOM 1514 N GLY B 49 3.573 -9.141 4.209 1.00 0.00 N ATOM 1515 CA GLY B 49 4.141 -9.818 5.362 1.00 0.00 C ATOM 1516 C GLY B 49 3.087 -10.724 6.004 1.00 0.00 C ATOM 1517 O GLY B 49 2.066 -11.013 5.370 1.00 0.00 O ATOM 0 H GLY B 49 2.724 -8.624 4.438 1.00 0.00 H new ATOM 0 HA2 GLY B 49 5.005 -10.409 5.059 1.00 0.00 H new ATOM 0 HA3 GLY B 49 4.494 -9.085 6.088 1.00 0.00 H new ATOM 1521 N PRO B 50 3.351 -11.225 7.221 1.00 0.00 N ATOM 1522 CA PRO B 50 2.441 -12.087 7.968 1.00 0.00 C ATOM 1523 C PRO B 50 1.285 -11.242 8.546 1.00 0.00 C ATOM 1524 O PRO B 50 0.917 -10.204 7.990 1.00 0.00 O ATOM 1525 CB PRO B 50 3.345 -12.730 9.029 1.00 0.00 C ATOM 1526 CG PRO B 50 4.329 -11.614 9.360 1.00 0.00 C ATOM 1527 CD PRO B 50 4.539 -10.932 8.013 1.00 0.00 C ATOM 0 HA PRO B 50 1.945 -12.856 7.376 1.00 0.00 H new ATOM 0 HB2 PRO B 50 2.779 -13.043 9.906 1.00 0.00 H new ATOM 0 HB3 PRO B 50 3.852 -13.615 8.645 1.00 0.00 H new ATOM 0 HG2 PRO B 50 3.924 -10.926 10.102 1.00 0.00 H new ATOM 0 HG3 PRO B 50 5.263 -12.006 9.764 1.00 0.00 H new ATOM 0 HD2 PRO B 50 4.669 -9.857 8.137 1.00 0.00 H new ATOM 0 HD3 PRO B 50 5.437 -11.307 7.522 1.00 0.00 H new ATOM 1535 N SER B 51 0.634 -11.707 9.613 1.00 0.00 N ATOM 1536 CA SER B 51 -0.457 -10.990 10.262 1.00 0.00 C ATOM 1537 C SER B 51 0.056 -9.687 10.912 1.00 0.00 C ATOM 1538 O SER B 51 1.262 -9.394 10.924 1.00 0.00 O ATOM 1539 CB SER B 51 -1.135 -11.941 11.258 1.00 0.00 C ATOM 1540 OG SER B 51 -0.176 -12.595 12.067 1.00 0.00 O ATOM 0 H SER B 51 0.854 -12.601 10.053 1.00 0.00 H new ATOM 0 HA SER B 51 -1.204 -10.678 9.532 1.00 0.00 H new ATOM 0 HB2 SER B 51 -1.826 -11.381 11.888 1.00 0.00 H new ATOM 0 HB3 SER B 51 -1.725 -12.681 10.716 1.00 0.00 H new ATOM 0 HG SER B 51 -0.631 -13.194 12.695 1.00 0.00 H new ATOM 1546 N SER B 52 -0.867 -8.894 11.464 1.00 0.00 N ATOM 1547 CA SER B 52 -0.558 -7.629 12.116 1.00 0.00 C ATOM 1548 C SER B 52 0.476 -7.839 13.226 1.00 0.00 C ATOM 1549 O SER B 52 0.589 -8.924 13.808 1.00 0.00 O ATOM 1550 CB SER B 52 -1.842 -6.992 12.652 1.00 0.00 C ATOM 1551 OG SER B 52 -1.673 -5.605 12.856 1.00 0.00 O ATOM 0 H SER B 52 -1.862 -9.120 11.468 1.00 0.00 H new ATOM 0 HA SER B 52 -0.122 -6.945 11.388 1.00 0.00 H new ATOM 0 HB2 SER B 52 -2.658 -7.163 11.949 1.00 0.00 H new ATOM 0 HB3 SER B 52 -2.124 -7.469 13.590 1.00 0.00 H new ATOM 0 HG SER B 52 -2.019 -5.116 12.081 1.00 0.00 H new ATOM 1557 N GLY B 53 1.220 -6.779 13.520 1.00 0.00 N ATOM 1558 CA GLY B 53 2.279 -6.732 14.507 1.00 0.00 C ATOM 1559 C GLY B 53 3.552 -6.488 13.738 1.00 0.00 C ATOM 1560 O GLY B 53 4.464 -7.336 13.774 1.00 0.00 O ATOM 0 H GLY B 53 1.089 -5.884 13.048 1.00 0.00 H new ATOM 0 HA2 GLY B 53 2.102 -5.937 15.232 1.00 0.00 H new ATOM 0 HA3 GLY B 53 2.334 -7.666 15.066 1.00 0.00 H new TER 1564 GLY B 53